| 1 | M | 38.3 | Very low | 36.2 | Very low | 214 Ų | 214 | 148.9 Ų | 148.9 | 100% | 1.054 | 75% | 0.747 | S | S | * | * | | | | 0 | 132.8 | 0 | -65.4 | 179.6 | 179.2 | 0 | 0 | 108.8 | | |
| 2 | P | 33.9 | Very low | 36.9 | Very low | 133 Ų | 133 | 149 Ų | 149 | 86% | 0.864 | 74% | 0.739 | S | S | * | * | | | trans | -82 | 116.6 | 170.8 | 32 | -30.3 | 0 | 0 | 0 | 110 | | |
| 3 | F | 38.4 | Very low | 37.2 | Very low | 186 Ų | 186 | 149.2 Ų | 149.2 | 82% | 0.816 | 74% | 0.736 | S | S | * | * | | | trans | -98.2 | 107.5 | 172.8 | 25.4 | -95.5 | 0 | 0 | 0 | 109.7 | L5 | F3-L5 PolarHBondContact O-N 2.77Š|
| 4 | T | 32.5 | Very low | 37.6 | Very low | 126 Ų | 126 | 145 Ų | 145 | 77% | 0.773 | 71% | 0.709 | S | S | * | * | | | trans | -57.5 | 124.2 | 166.4 | 47.2 | 0 | 0 | 0 | 0 | 109.6 | R6 | T4-R6 PolarHBondContact O-N 3.1Š|
| 5 | L | 33.2 | Very low | 37.9 | Very low | 162 Ų | 162 | 140.7 Ų | 140.7 | 85% | 0.848 | 70% | 0.698 | S | S | * | * | | | trans | -57.6 | 109.1 | 162.7 | -80.8 | 167.3 | 0 | 0 | 0 | 108.1 | F3 T7 | F3-L5 PolarHBondContact O-N 2.77Å; L5-T7 PolarHBondContact O-N 2.77Å |
| 6 | R | 32 | Very low | 38.2 | Very low | 225 Ų | 225 | 137.2 Ų | 137.2 | 85% | 0.849 | 69% | 0.691 | S | S | * | * | | | trans | -71.4 | 85.1 | 161.9 | -73.5 | -174.1 | 179.8 | 176.6 | 0.8 | 107.5 | T4 V8 | T4-R6 PolarHBondContact O-N 3.1Å; R6-V8 PolarHBondContact O-N 3.38Å; R6-V8 VanDerWaalsContact O-N 3.1Å |
| 7 | T | 35.8 | Very low | 38.5 | Very low | 117 Ų | 117 | 138.6 Ų | 138.6 | 72% | 0.718 | 70% | 0.698 | S | S | * | * | | | trans | -47.6 | 116.9 | 146.7 | 44 | 0 | 0 | 0 | 0 | 106.4 | L5 D9 | L5-T7 PolarHBondContact O-N 2.77Å; T7-D9 VanDerWaalsContact C-N 3.35Å; T7-D9 PolarHBondContact O-N 3.42Å |
| 8 | V | 36.2 | Very low | 38.4 | Very low | 119 Ų | 119 | 139.2 Ų | 139.2 | 72% | 0.721 | 70% | 0.702 | S | S | * | * | | | trans | -68.1 | 103.1 | 178.3 | -177.1 | 0 | 0 | 0 | 0 | 106.1 | R6 Q10 | R6-V8 PolarHBondContact O-N 3.38Å; R6-V8 VanDerWaalsContact O-N 3.1Å; V8-Q10 HydrophobicContact CB-CG 4.46Å; V8-Q10 HydrophobicContact CG1-CG 3.84Å; V8-Q10 PolarHBondContact O-N 3.29Å |
| 9 | D | 37.4 | Very low | 38.6 | Very low | 76 Ų | 76 | 142.5 Ų | 142.5 | 41% | 0.406 | 71% | 0.711 | S | S | . | * | | | trans | -76.2 | 64.1 | -171.8 | -163.4 | -14.4 | 0 | 0 | 0 | 109.9 | T7 Y11 K12 | T7-D9 VanDerWaalsContact C-N 3.35Å; T7-D9 PolarHBondContact O-N 3.42Å; D9-Y11 PolarHBondContact O-N 2.85Å; D9-K12 PolarHBondContact O-N 3.07Å; D9-K12 IonicContact OD1-NZ 3.74Å; D9-K12 WeakPolarHBondContact OD2-CD 3.29Å; D9-K12 WeakPolarHBondContact OD2-CE 3.46Å; D9-K12 IonicContact OD2-NZ 3.18Å; D9-K12 PolarHBondContact OD2-NZ 3.33Å |
| 10 | Q | 43.5 | Very low | 38.4 | Very low | 93 Ų | 93 | 141.7 Ų | 141.7 | 44% | 0.435 | 71% | 0.714 | S | S | . | * | H | α-helix | trans | -59 | -28.5 | -176.3 | -68.1 | -173.3 | -17.7 | 0 | 0 | 111 | V8 K12 H13 Y14 | V8-Q10 HydrophobicContact CB-CG 4.46Å; V8-Q10 HydrophobicContact CG1-CG 3.84Å; V8-Q10 PolarHBondContact O-N 3.29Å; Q10-K12 VanDerWaalsContact C-N 3.3Å; Q10-K12 PolarHBondContact O-N 3.34Å; Q10-H13 CarbonylContact O-C 3.51Å; Q10-H13 WeakPolarHBondContact O-CA 3.25Å; Q10-H13 PolarHBondContact O-N 3.21Å; Q10-Y14 WeakPolarHBondContact O-CD2 3.39Å; Q10-Y14 PolarHBondContact O-N 3.39Å |
| 11 | Y | 37.5 | Very low | 38.1 | Very low | 187 Ų | 187 | 139.3 Ų | 139.3 | 73% | 0.733 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -52.6 | -43.5 | 170.4 | -108.5 | -90.7 | 0 | 0 | 0 | 112.8 | D9 H13 Y14 C15 | D9-Y11 PolarHBondContact O-N 2.85Å; Y11-H13 PolarHBondContact O-N 2.98Å; Y11-Y14 PolarHBondContact O-N 2.9Å; Y11-Y14 VanDerWaalsContact O-N 3.15Å; Y11-C15 PolarHBondContact O-N 3.29Å; Y11-C15 PolarHBondContact O-SG 2.76Å |
| 12 | K | 43.9 | Very low | 38.1 | Very low | 150 Ų | 150 | 135.3 Ų | 135.3 | 65% | 0.652 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -67.1 | -21.4 | 176.3 | -74.2 | -173.3 | 176.3 | 65.4 | 0 | 114 | D9 Q10 | D9-K12 PolarHBondContact O-N 3.07Å; D9-K12 IonicContact OD1-NZ 3.74Å; D9-K12 WeakPolarHBondContact OD2-CD 3.29Å; D9-K12 WeakPolarHBondContact OD2-CE 3.46Å; D9-K12 IonicContact OD2-NZ 3.18Å; D9-K12 PolarHBondContact OD2-NZ 3.33Å; Q10-K12 VanDerWaalsContact C-N 3.3Å; Q10-K12 PolarHBondContact O-N 3.34Å |
| 13 | H | 41.3 | Very low | 38 | Very low | 151 Ų | 151 | 135.3 Ų | 135.3 | 70% | 0.699 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -88.3 | -23.8 | 172.6 | -120.7 | -52.3 | 0 | 0 | 0 | 113.3 | Q10 Y11 S16 | Q10-H13 CarbonylContact O-C 3.51Å; Q10-H13 WeakPolarHBondContact O-CA 3.25Å; Q10-H13 PolarHBondContact O-N 3.21Å; Y11-H13 PolarHBondContact O-N 2.98Å; H13-S16 PolarHBondContact O-OG 3.14Å |
| 14 | Y | 43.4 | Very low | 37.8 | Very low | 91 Ų | 91 | 129.8 Ų | 129.8 | 36% | 0.357 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -75.5 | -39.3 | 171.3 | -86.4 | -123.5 | 0 | 0 | 0 | 111.2 | Q10 Y11 S16 M17 L49 | Q10-Y14 WeakPolarHBondContact O-CD2 3.39Å; Q10-Y14 PolarHBondContact O-N 3.39Å; Y11-Y14 PolarHBondContact O-N 2.9Å; Y11-Y14 VanDerWaalsContact O-N 3.15Å; Y14-S16 PolarHBondContact O-N 3.47Å; Y14-S16 VanDerWaalsContact O-N 3.11Å; Y14-M17 PolarHBondContact O-N 2.79Å; Y14-M17 VanDerWaalsContact O-N 3.15Å; Y14-L49 HydrophobicContact CD1-CD2 4.22Å; Y14-L49 HydrophobicContact CE1-CD1 3.66Å; Y14-L49 HydrophobicContact CE1-CD2 3.78Å; Y14-L49 HydrophobicContact CE1-CG 3.66Å; Y14-L49 HydrophobicContact CE2-CD1 4.49Å; Y14-L49 WeakPolarHBondContact OH-CD1 3.43Å |
| 15 | C | 41.3 | Very low | 37.9 | Very low | 81 Ų | 81 | 129.8 Ų | 129.8 | 55% | 0.547 | 70% | 0.697 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.7 | -18.4 | 177.5 | -66.9 | 0 | 0 | 0 | 0 | 114.4 | Y11 M17 | Y11-C15 PolarHBondContact O-N 3.29Å; Y11-C15 PolarHBondContact O-SG 2.76Å; C15-M17 VanDerWaalsContact C-N 3.34Å |
| 16 | S | 42.4 | Very low | 38.1 | Very low | 84 Ų | 84 | 129 Ų | 129 | 59% | 0.587 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -4.8 | 177.2 | 60.9 | 0 | 0 | 0 | 0 | 114.8 | H13 Y14 | H13-S16 PolarHBondContact O-OG 3.14Å; Y14-S16 PolarHBondContact O-N 3.47Å; Y14-S16 VanDerWaalsContact O-N 3.11Å |
| 17 | M | 43 | Very low | 38.4 | Very low | 162 Ų | 162 | 124.7 Ų | 124.7 | 80% | 0.798 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -94.3 | -13.3 | 175.6 | -76.4 | -76.2 | -75.5 | 0 | 0 | 113.5 | Y14 C15 K19 | Y14-M17 PolarHBondContact O-N 2.79Å; Y14-M17 VanDerWaalsContact O-N 3.15Å; C15-M17 VanDerWaalsContact C-N 3.34Å; M17-K19 PolarHBondContact O-N 3.04Å |
| 18 | L | 37.7 | Very low | 38.5 | Very low | 149 Ų | 149 | 123.7 Ų | 123.7 | 78% | 0.78 | 70% | 0.702 | S | S | * | * | | | trans | -74.5 | 74.6 | 172.3 | -85.9 | 165.3 | 0 | 0 | 0 | 110.4 | T20 | L18-T20 PolarHBondContact O-N 2.99Å; L18-T20 VanDerWaalsContact O-N 3.08Å |
| 19 | K | 41.8 | Very low | 38.4 | Very low | 201 Ų | 201 | 126.4 Ų | 126.4 | 87% | 0.874 | 71% | 0.707 | S | S | * | * | | | trans | -75 | 96.1 | 177.7 | -138.8 | -177.8 | -173.6 | -174.7 | 0 | 109.5 | M17 | M17-K19 PolarHBondContact O-N 3.04Š|
| 20 | T | 34.3 | Very low | 38.3 | Very low | 126 Ų | 126 | 128.5 Ų | 128.5 | 77% | 0.773 | 72% | 0.724 | S | S | * | * | | | trans | -58.2 | 149.9 | 167.4 | 47.6 | 0 | 0 | 0 | 0 | 111.9 | L18 | L18-T20 PolarHBondContact O-N 2.99Å; L18-T20 VanDerWaalsContact O-N 3.08Å |
| 21 | A | 33.3 | Very low | 38.2 | Very low | 92 Ų | 92 | 133.2 Ų | 133.2 | 76% | 0.76 | 75% | 0.746 | S | S | * | * | | | trans | 73.8 | 138.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 22 | T | 37.1 | Very low | 38.3 | Very low | 131 Ų | 131 | 129.1 Ų | 129.1 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | | | cis | -144.4 | 137.6 | 5.4 | -37 | 0 | 0 | 0 | 0 | 110.4 | G24 | T22-G24 PolarHBondContact O-N 3.36Š|
| 23 | V | 32.7 | Very low | 38.1 | Very low | 132 Ų | 132 | 125.6 Ų | 125.6 | 80% | 0.8 | 76% | 0.757 | S | S | * | * | | | trans | -80.3 | 106.9 | 163.3 | 176.9 | 0 | 0 | 0 | 0 | 107.5 | T25 | V23-T25 HydrophobicContact CG1-CG2 4.31Š|
| 24 | G | 34.5 | Very low | 38.2 | Very low | 71 Ų | 71 | 125.7 Ų | 125.7 | 73% | 0.732 | 76% | 0.763 | S | S | * | * | | | trans | -96.1 | 102.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | T22 | T22-G24 PolarHBondContact O-N 3.36Š|
| 25 | T | 33.2 | Very low | 38.1 | Very low | 126 Ų | 126 | 130.2 Ų | 130.2 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | trans | -90.7 | 106.8 | 173.7 | 48 | 0 | 0 | 0 | 0 | 111.2 | V23 | V23-T25 HydrophobicContact CG1-CG2 4.31Š|
| 26 | T | 39.1 | Very low | 37.9 | Very low | 144 Ų | 144 | 132.6 Ų | 132.6 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | | | trans | -146.3 | 147.2 | 156.5 | 29.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 27 | T | 37.6 | Very low | 37.9 | Very low | 136 Ų | 136 | 137.7 Ų | 137.7 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | | | trans | -87.5 | 155.9 | -170.1 | 42.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 28 | A | 36.7 | Very low | 37.8 | Very low | 96 Ų | 96 | 134.9 Ų | 134.9 | 79% | 0.793 | 81% | 0.81 | S | S | * | * | | | trans | 56.6 | 107.1 | 151.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 29 | Q | 34.5 | Very low | 38.1 | Very low | 176 Ų | 176 | 134.6 Ų | 134.6 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | | | | -156.4 | 134.1 | 97.1 | -166.8 | 169.5 | -2.2 | 0 | 0 | 110.6 | | |
| 30 | P | 36.3 | Very low | 38 | Very low | 119 Ų | 119 | 127.9 Ų | 127.9 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | | | trans | -89.1 | 121 | 176.9 | 32.9 | -31.1 | 0 | 0 | 0 | 111.7 | | |
| 31 | Q | 40.4 | Very low | 38.6 | Very low | 192 Ų | 192 | 127.2 Ų | 127.2 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | | | trans | -145.1 | 139.9 | 155.8 | -115 | 178.3 | 10.8 | 0 | 0 | 110.8 | | |
| 32 | A | 39 | Very low | 39.3 | Very low | 101 Ų | 101 | 125 Ų | 125 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | | | trans | -82.3 | 135.7 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 33 | G | 41 | Very low | 40 | Very low | 76 Ų | 76 | 124 Ų | 124 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | | | trans | -153.5 | 62.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111 | Q35 | G33-Q35 PolarHBondContact O-N 3.1Å; G33-Q35 VanDerWaalsContact O-N 3.16Å |
| 34 | N | 43 | Very low | 41.1 | Very low | 153 Ų | 153 | 121.7 Ų | 121.7 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | | | trans | -63.2 | 113 | -175.3 | -68.9 | -18.7 | 0 | 0 | 0 | 112.1 | | |
| 35 | Q | 40.6 | Very low | 42.2 | Very low | 187 Ų | 187 | 123.2 Ų | 123.2 | 87% | 0.874 | 75% | 0.753 | S | S | * | * | | | | -145.9 | 144.3 | 113.1 | -75.8 | -144 | 7.5 | 0 | 0 | 110 | G33 | G33-Q35 PolarHBondContact O-N 3.1Å; G33-Q35 VanDerWaalsContact O-N 3.16Å |
| 36 | V | 37.8 | Very low | 43.6 | Very low | 131 Ų | 131 | 119.4 Ų | 119.4 | 79% | 0.794 | 74% | 0.738 | S | S | * | * | | | trans | -107.8 | 106.8 | -178.6 | 177 | 0 | 0 | 0 | 0 | 108.6 | | |
| 37 | E | 42.7 | Very low | 44.8 | Very low | 190 Ų | 190 | 117 Ų | 117 | 89% | 0.888 | 72% | 0.72 | S | S | * | * | | | trans | -101.4 | 116.8 | 153.2 | -71.8 | -157.2 | 138.1 | 0 | 0 | 108.2 | T39 | E37-T39 PolarHBondContact O-N 3.43Š|
| 38 | S | 40 | Very low | 46.3 | Very low | 103 Ų | 103 | 115.7 Ų | 115.7 | 72% | 0.72 | 70% | 0.704 | S | S | * | * | | | trans | -72.1 | 115 | -170.4 | 43.3 | 0 | 0 | 0 | 0 | 111.4 | G40 | S38-G40 PolarHBondContact O-N 3.33Š|
| 39 | T | 44.7 | Very low | 47.8 | Very low | 144 Ų | 144 | 115.4 Ų | 115.4 | 88% | 0.883 | 69% | 0.688 | S | S | * | * | | | trans | -68.5 | 73.1 | 153 | 26.5 | 0 | 0 | 0 | 0 | 108.6 | E37 S41 | E37-T39 PolarHBondContact O-N 3.43Å; T39-S41 VanDerWaalsContact C-N 3.34Å; T39-S41 PolarHBondContact O-N 3.06Å |
| 40 | G | 39.6 | Very low | 49.8 | Very low | 60 Ų | 60 | 111.1 Ų | 111.1 | 62% | 0.619 | 68% | 0.675 | S | S | * | * | | | trans | -68.1 | 88.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | S38 S42 | S38-G40 PolarHBondContact O-N 3.33Å; G40-S42 PolarHBondContact O-N 2.86Å |
| 41 | S | 47.6 | Very low | 51.8 | Low | 112 Ų | 112 | 110.9 Ų | 110.9 | 78% | 0.783 | 66% | 0.663 | S | S | * | * | | | trans | -65.1 | 80.3 | 162.1 | 56.9 | 0 | 0 | 0 | 0 | 108.6 | T39 | T39-S41 VanDerWaalsContact C-N 3.34Å; T39-S41 PolarHBondContact O-N 3.06Å |
| 42 | S | 46.4 | Very low | 53.9 | Low | 44 Ų | 44 | 105.9 Ų | 105.9 | 31% | 0.308 | 65% | 0.646 | S | S | . | * | | | trans | -65.5 | 131.9 | -175.2 | -172.6 | 0 | 0 | 0 | 0 | 109.9 | G40 D44 D45 | G40-S42 PolarHBondContact O-N 2.86Å; S42-D44 PolarHBondContact O-N 3.26Å; S42-D44 WeakPolarHBondContact OG-CB 3.47Å; S42-D44 PolarHBondContact OG-N 3.48Å; S42-D44 PolarHBondContact OG-OD2 3.14Å; S42-D45 PolarHBondContact O-N 3.38Å; S42-D45 VanDerWaalsContact O-N 3.14Å |
| 43 | P | 52.6 | Low | 56.1 | Low | 112 Ų | 112 | 102.8 Ų | 102.8 | 73% | 0.727 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -16.2 | 169.7 | 27 | -34.7 | 0 | 0 | 0 | 112.2 | D45 | P43-D45 VanDerWaalsContact C-N 3.27Å; P43-D45 PolarHBondContact O-N 3.24Å |
| 44 | D | 56 | Low | 58.3 | Low | 83 Ų | 83 | 104.4 Ų | 104.4 | 44% | 0.444 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -63.8 | -22.9 | 174.1 | -66.3 | -48.5 | 0 | 0 | 0 | 114.1 | S42 G46 L47 Q48 | S42-D44 PolarHBondContact O-N 3.26Å; S42-D44 WeakPolarHBondContact OG-CB 3.47Å; S42-D44 PolarHBondContact OG-N 3.48Å; S42-D44 PolarHBondContact OG-OD2 3.14Å; D44-G46 VanDerWaalsContact C-N 3.29Å; D44-G46 PolarHBondContact O-N 3.41Å; D44-L47 CarbonylContact O-C 3.57Å; D44-L47 WeakPolarHBondContact O-CA 3.31Å; D44-L47 PolarHBondContact O-N 3.29Å; D44-Q48 WeakPolarHBondContact O-CB 3.33Å; D44-Q48 WeakPolarHBondContact O-CG 3.33Å; D44-Q48 PolarHBondContact O-N 3.11Å |
| 45 | D | 57.3 | Low | 60.4 | Low | 103 Ų | 103 | 101.2 Ų | 101.2 | 55% | 0.551 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64.3 | -35.6 | -177.1 | -80.1 | -6.1 | 0 | 0 | 0 | 111.9 | S42 P43 Q48 L49 | S42-D45 PolarHBondContact O-N 3.38Å; S42-D45 VanDerWaalsContact O-N 3.14Å; P43-D45 VanDerWaalsContact C-N 3.27Å; P43-D45 PolarHBondContact O-N 3.24Å; D45-Q48 PolarHBondContact OD1-NE2 3.45Å; D45-L49 VanDerWaalsContact O-CB 3.31Å; D45-L49 WeakPolarHBondContact O-CB 3.29Å; D45-L49 PolarHBondContact O-N 3.49Å |
| 46 | G | 63.5 | Low | 62.7 | Low | 46 Ų | 46 | 93.2 Ų | 93.2 | 47% | 0.474 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -68.8 | -34.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113 | D44 T50 | D44-G46 VanDerWaalsContact C-N 3.29Å; D44-G46 PolarHBondContact O-N 3.41Å; G46-T50 WeakPolarHBondContact O-CG2 3.49Å; G46-T50 PolarHBondContact O-N 3.34Å; G46-T50 VanDerWaalsContact O-N 3.07Å; G46-T50 PolarHBondContact O-OG1 2.93Å |
| 47 | L | 62.8 | Low | 65.2 | Low | 94 Ų | 94 | 90 Ų | 90 | 49% | 0.492 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -73 | -39 | 176.4 | -65.5 | 174.8 | 0 | 0 | 0 | 111.8 | D44 T50 Q51 | D44-L47 CarbonylContact O-C 3.57Å; D44-L47 WeakPolarHBondContact O-CA 3.31Å; D44-L47 PolarHBondContact O-N 3.29Å; L47-T50 WeakPolarHBondContact CA-OG1 3.49Å; L47-T50 PolarHBondContact O-OG1 2.79Å; L47-T50 VanDerWaalsContact O-OG1 3.09Å; L47-Q51 VanDerWaalsContact O-CB 3.28Å; L47-Q51 WeakPolarHBondContact O-CB 3.4Å; L47-Q51 WeakPolarHBondContact O-CG 3.36Å; L47-Q51 PolarHBondContact O-N 3.32Å |
| 48 | Q | 70.5 | Confident | 67.5 | Low | 108 Ų | 108 | 85.5 Ų | 85.5 | 51% | 0.505 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.8 | -44.3 | 174 | -73.9 | -178.5 | 73.6 | 0 | 0 | 110.9 | D44 D45 T50 Q51 V52 | D44-Q48 WeakPolarHBondContact O-CB 3.33Å; D44-Q48 WeakPolarHBondContact O-CG 3.33Å; D44-Q48 PolarHBondContact O-N 3.11Å; D45-Q48 PolarHBondContact OD1-NE2 3.45Å; Q48-T50 PolarHBondContact O-N 3.36Å; Q48-Q51 PolarHBondContact O-N 3.32Å; Q48-V52 WeakPolarHBondContact O-CB 3.35Å; Q48-V52 VanDerWaalsContact O-CG2 3.31Å; Q48-V52 WeakPolarHBondContact O-CG2 3.13Å; Q48-V52 PolarHBondContact O-N 2.82Å |
| 49 | L | 66.8 | Low | 69.9 | Low | 89 Ų | 89 | 89.4 Ų | 89.4 | 47% | 0.466 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.4 | -44.4 | 177.9 | -167 | 69.3 | 0 | 0 | 0 | 111.7 | Y14 D45 V52 A53 | Y14-L49 HydrophobicContact CD1-CD2 4.22Å; Y14-L49 HydrophobicContact CE1-CD1 3.66Å; Y14-L49 HydrophobicContact CE1-CD2 3.78Å; Y14-L49 HydrophobicContact CE1-CG 3.66Å; Y14-L49 HydrophobicContact CE2-CD1 4.49Å; Y14-L49 WeakPolarHBondContact OH-CD1 3.43Å; D45-L49 VanDerWaalsContact O-CB 3.31Å; D45-L49 WeakPolarHBondContact O-CB 3.29Å; D45-L49 PolarHBondContact O-N 3.49Å; L49-V52 PolarHBondContact O-N 3.02Å; L49-A53 WeakPolarHBondContact O-CB 3.29Å; L49-A53 PolarHBondContact O-N 3.36Å |
| 50 | T | 77.3 | Confident | 72.1 | Confident | 87 Ų | 87 | 88.2 Ų | 88.2 | 53% | 0.534 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.1 | -35.6 | 175.6 | 49.6 | 0 | 0 | 0 | 0 | 112.8 | G46 L47 Q48 A53 L54 | G46-T50 WeakPolarHBondContact O-CG2 3.49Å; G46-T50 PolarHBondContact O-N 3.34Å; G46-T50 VanDerWaalsContact O-N 3.07Å; G46-T50 PolarHBondContact O-OG1 2.93Å; L47-T50 WeakPolarHBondContact CA-OG1 3.49Å; L47-T50 PolarHBondContact O-OG1 2.79Å; L47-T50 VanDerWaalsContact O-OG1 3.09Å; Q48-T50 PolarHBondContact O-N 3.36Å; T50-A53 PolarHBondContact O-N 3.49Å; T50-L54 VanDerWaalsContact O-CB 3.31Å; T50-L54 WeakPolarHBondContact O-CB 3.45Å; T50-L54 PolarHBondContact O-N 2.88Å |
| 51 | Q | 78.3 | Confident | 74.6 | Confident | 113 Ų | 113 | 90.8 Ų | 90.8 | 53% | 0.528 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.5 | -41.8 | 171.1 | -76.6 | 173.2 | 33.5 | 0 | 0 | 112.3 | L47 Q48 L54 L55 | L47-Q51 VanDerWaalsContact O-CB 3.28Å; L47-Q51 WeakPolarHBondContact O-CB 3.4Å; L47-Q51 WeakPolarHBondContact O-CG 3.36Å; L47-Q51 PolarHBondContact O-N 3.32Å; Q48-Q51 PolarHBondContact O-N 3.32Å; Q51-L54 PolarHBondContact O-N 2.7Å; Q51-L55 WeakPolarHBondContact O-CB 3.31Å; Q51-L55 VanDerWaalsContact O-CG 3.26Å; Q51-L55 WeakPolarHBondContact O-CG 3.33Å; Q51-L55 PolarHBondContact O-N 3.06Å |
| 52 | V | 84.1 | Confident | 76.7 | Confident | 88 Ų | 88 | 87 Ų | 87 | 53% | 0.533 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.1 | -41.1 | 176.3 | 168.6 | 0 | 0 | 0 | 0 | 111 | Q48 L49 L55 A56 | Q48-V52 WeakPolarHBondContact O-CB 3.35Å; Q48-V52 VanDerWaalsContact O-CG2 3.31Å; Q48-V52 WeakPolarHBondContact O-CG2 3.13Å; Q48-V52 PolarHBondContact O-N 2.82Å; L49-V52 PolarHBondContact O-N 3.02Å; V52-L55 PolarHBondContact O-N 3.12Å; V52-A56 WeakPolarHBondContact O-CB 3.38Å; V52-A56 PolarHBondContact O-N 2.97Å |
| 53 | A | 84.6 | Confident | 78.7 | Confident | 36 Ų | 36 | 87.7 Ų | 87.7 | 30% | 0.298 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63 | -45.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L49 T50 L55 A56 C57 | L49-A53 WeakPolarHBondContact O-CB 3.29Å; L49-A53 PolarHBondContact O-N 3.36Å; T50-A53 PolarHBondContact O-N 3.49Å; A53-L55 PolarHBondContact O-N 3.25Å; A53-A56 WeakPolarHBondContact O-CB 3.39Å; A53-A56 PolarHBondContact O-N 3.07Å; A53-A56 VanDerWaalsContact O-N 3.11Å; A53-C57 PolarHBondContact O-N 3.13Å; A53-C57 PolarHBondContact O-SG 2.87Å; A53-C57 VanDerWaalsContact O-SG 3.33Å |
| 54 | L | 88.1 | Confident | 80.5 | Confident | 110 Ų | 110 | 87.4 Ų | 87.4 | 58% | 0.576 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -59.2 | -44.7 | 175.6 | -170.3 | 79.4 | 0 | 0 | 0 | 111.6 | T50 Q51 A56 C57 I58 | T50-L54 VanDerWaalsContact O-CB 3.31Å; T50-L54 WeakPolarHBondContact O-CB 3.45Å; T50-L54 PolarHBondContact O-N 2.88Å; Q51-L54 PolarHBondContact O-N 2.7Å; L54-A56 VanDerWaalsContact C-N 3.3Å; L54-A56 PolarHBondContact O-N 3.18Å; L54-C57 WeakPolarHBondContact O-CB 3.25Å; L54-C57 PolarHBondContact O-N 3.09Å; L54-I58 HydrophobicContact CD2-CD1 4.37Å; L54-I58 HydrophobicContact CG-CD1 4.06Å; L54-I58 VanDerWaalsContact O-CG1 3.29Å; L54-I58 WeakPolarHBondContact O-CG1 3.2Å; L54-I58 PolarHBondContact O-N 3.21Å |
| 55 | L | 87.9 | Confident | 82.2 | Confident | 85 Ų | 85 | 88.2 Ų | 88.2 | 45% | 0.445 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.7 | -32.7 | 175.5 | -73.3 | 169.1 | 0 | 0 | 0 | 112.4 | Q51 V52 A53 R59 | Q51-L55 WeakPolarHBondContact O-CB 3.31Å; Q51-L55 VanDerWaalsContact O-CG 3.26Å; Q51-L55 WeakPolarHBondContact O-CG 3.33Å; Q51-L55 PolarHBondContact O-N 3.06Å; V52-L55 PolarHBondContact O-N 3.12Å; A53-L55 PolarHBondContact O-N 3.25Å; L55-R59 WeakPolarHBondContact O-CB 3.48Å; L55-R59 WeakPolarHBondContact O-CD 3.49Å; L55-R59 WeakPolarHBondContact O-CG 3.27Å; L55-R59 PolarHBondContact O-N 2.91Å |
| 56 | A | 88.1 | Confident | 83.6 | Confident | 19 Ų | 19 | 88.4 Ų | 88.4 | 16% | 0.157 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -67.5 | -44.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | V52 A53 L54 I58 R59 Q60 | V52-A56 WeakPolarHBondContact O-CB 3.38Å; V52-A56 PolarHBondContact O-N 2.97Å; A53-A56 WeakPolarHBondContact O-CB 3.39Å; A53-A56 PolarHBondContact O-N 3.07Å; A53-A56 VanDerWaalsContact O-N 3.11Å; L54-A56 VanDerWaalsContact C-N 3.3Å; L54-A56 PolarHBondContact O-N 3.18Å; A56-I58 PolarHBondContact O-N 3.31Å; A56-R59 PolarHBondContact O-N 3.2Å; A56-Q60 WeakPolarHBondContact O-CG 3.19Å; A56-Q60 PolarHBondContact O-N 2.94Å |
| 57 | C | 89.2 | Confident | 84.8 | Confident | 63 Ų | 63 | 91.9 Ų | 91.9 | 43% | 0.426 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.8 | -43.6 | 174.3 | -65.4 | 0 | 0 | 0 | 0 | 112 | A53 L54 R59 Q60 L61 | A53-C57 PolarHBondContact O-N 3.13Å; A53-C57 PolarHBondContact O-SG 2.87Å; A53-C57 VanDerWaalsContact O-SG 3.33Å; L54-C57 WeakPolarHBondContact O-CB 3.25Å; L54-C57 PolarHBondContact O-N 3.09Å; C57-R59 VanDerWaalsContact C-N 3.33Å; C57-R59 PolarHBondContact O-N 3.2Å; C57-Q60 PolarHBondContact O-N 3.3Å; C57-L61 WeakPolarHBondContact O-CB 3.48Å; C57-L61 WeakPolarHBondContact O-CG 3.34Å; C57-L61 PolarHBondContact O-N 3Å |
| 58 | I | 92 | Very high | 86.1 | Confident | 96 Ų | 96 | 90 Ų | 90 | 49% | 0.492 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 175.6 | -69 | 163.5 | 0 | 0 | 0 | 111.1 | L54 A56 L61 G62 | L54-I58 HydrophobicContact CD2-CD1 4.37Å; L54-I58 HydrophobicContact CG-CD1 4.06Å; L54-I58 VanDerWaalsContact O-CG1 3.29Å; L54-I58 WeakPolarHBondContact O-CG1 3.2Å; L54-I58 PolarHBondContact O-N 3.21Å; A56-I58 PolarHBondContact O-N 3.31Å; I58-L61 PolarHBondContact O-N 2.89Å; I58-G62 PolarHBondContact O-N 3.49Å |
| 59 | R | 90.9 | Very high | 87 | Confident | 185 Ų | 185 | 88.4 Ų | 88.4 | 70% | 0.698 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -66.5 | -37.9 | 174.5 | -73.4 | 165.8 | 179.5 | 162.2 | 0.5 | 112.6 | L55 A56 C57 G62 S63 | L55-R59 WeakPolarHBondContact O-CB 3.48Å; L55-R59 WeakPolarHBondContact O-CD 3.49Å; L55-R59 WeakPolarHBondContact O-CG 3.27Å; L55-R59 PolarHBondContact O-N 2.91Å; A56-R59 PolarHBondContact O-N 3.2Å; C57-R59 VanDerWaalsContact C-N 3.33Å; C57-R59 PolarHBondContact O-N 3.2Å; R59-G62 PolarHBondContact O-N 2.83Å; R59-S63 PolarHBondContact O-N 3.42Å |
| 60 | Q | 90.1 | Very high | 87.9 | Confident | 120 Ų | 120 | 87.3 Ų | 87.3 | 56% | 0.561 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -66.6 | -43.6 | 174.8 | -74.1 | 174.7 | -6.6 | 0 | 0 | 111.5 | A56 C57 G62 S63 L64 | A56-Q60 WeakPolarHBondContact O-CG 3.19Å; A56-Q60 PolarHBondContact O-N 2.94Å; C57-Q60 PolarHBondContact O-N 3.3Å; Q60-G62 VanDerWaalsContact C-N 3.34Å; Q60-G62 PolarHBondContact O-N 3.3Å; Q60-S63 PolarHBondContact O-N 3.05Å; Q60-L64 WeakPolarHBondContact O-CB 3.24Å; Q60-L64 PolarHBondContact O-N 2.83Å |
| 61 | L | 91.3 | Very high | 88.3 | Confident | 113 Ų | 113 | 88.8 Ų | 88.8 | 59% | 0.592 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -61.6 | -39.7 | 173.9 | -71.9 | 169.2 | 0 | 0 | 0 | 112 | C57 I58 L64 H65 | C57-L61 WeakPolarHBondContact O-CB 3.48Å; C57-L61 WeakPolarHBondContact O-CG 3.34Å; C57-L61 PolarHBondContact O-N 3Å; I58-L61 PolarHBondContact O-N 2.89Å; L61-L64 PolarHBondContact O-N 2.63Å; L61-H65 WeakPolarHBondContact O-CB 3.29Å; L61-H65 PolarHBondContact O-N 3.48Å |
| 62 | G | 92.8 | Very high | 88.9 | Confident | 32 Ų | 32 | 86.3 Ų | 86.3 | 33% | 0.33 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.8 | -47.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I58 R59 Q60 L64 H65 D66 | I58-G62 PolarHBondContact O-N 3.49Å; R59-G62 PolarHBondContact O-N 2.83Å; Q60-G62 VanDerWaalsContact C-N 3.34Å; Q60-G62 PolarHBondContact O-N 3.3Å; G62-L64 VanDerWaalsContact C-N 3.29Å; G62-L64 PolarHBondContact O-N 2.92Å; G62-H65 WeakPolarHBondContact O-CB 3.46Å; G62-H65 PolarHBondContact O-N 2.76Å; G62-D66 PolarHBondContact O-N 2.79Å |
| 63 | S | 89.1 | Confident | 89.2 | Confident | 60 Ų | 60 | 89.8 Ų | 89.8 | 42% | 0.42 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.8 | -30.8 | 175.9 | -175.2 | 0 | 0 | 0 | 0 | 113.3 | R59 Q60 Q67 | R59-S63 PolarHBondContact O-N 3.42Å; Q60-S63 PolarHBondContact O-N 3.05Å; S63-Q67 WeakPolarHBondContact O-CB 3.24Å; S63-Q67 VanDerWaalsContact O-CG 3.23Å; S63-Q67 WeakPolarHBondContact O-CG 3.45Å; S63-Q67 PolarHBondContact O-N 2.95Å; S63-Q67 VanDerWaalsContact O-N 3.11Å; S63-Q67 PolarHBondContact OG-NE2 2.84Å |
| 64 | L | 89.8 | Confident | 89.2 | Confident | 105 Ų | 105 | 90.7 Ų | 90.7 | 55% | 0.55 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -72.9 | -41.5 | 176.2 | -179.7 | 62.8 | 0 | 0 | 0 | 111 | Q60 L61 G62 Q67 S68 | Q60-L64 WeakPolarHBondContact O-CB 3.24Å; Q60-L64 PolarHBondContact O-N 2.83Å; L61-L64 PolarHBondContact O-N 2.63Å; G62-L64 VanDerWaalsContact C-N 3.29Å; G62-L64 PolarHBondContact O-N 2.92Å; L64-Q67 PolarHBondContact O-N 2.81Å; L64-S68 WeakPolarHBondContact O-CB 3.45Å; L64-S68 PolarHBondContact O-N 3.4Å; L64-S68 PolarHBondContact O-OG 3.47Å |
| 65 | H | 92.4 | Very high | 89.3 | Confident | 101 Ų | 101 | 90 Ų | 90 | 47% | 0.468 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -58.1 | -46.7 | 171.2 | 169.5 | -85.3 | 0 | 0 | 0 | 111.5 | L61 G62 Q67 S68 M69 | L61-H65 WeakPolarHBondContact O-CB 3.29Å; L61-H65 PolarHBondContact O-N 3.48Å; G62-H65 WeakPolarHBondContact O-CB 3.46Å; G62-H65 PolarHBondContact O-N 2.76Å; H65-Q67 VanDerWaalsContact C-N 3.34Å; H65-Q67 PolarHBondContact O-N 3.27Å; H65-S68 PolarHBondContact O-N 3.42Å; H65-S68 PolarHBondContact O-OG 3.1Å; H65-M69 WeakPolarHBondContact O-CB 3.39Å; H65-M69 WeakPolarHBondContact O-CG 3.48Å; H65-M69 PolarHBondContact O-N 2.62Å |
| 66 | D | 86.7 | Confident | 89.4 | Confident | 106 Ų | 106 | 93.5 Ų | 93.5 | 57% | 0.567 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -68.8 | -34.3 | -178.6 | -67 | -10.6 | 0 | 0 | 0 | 112.1 | G62 L70 | G62-D66 PolarHBondContact O-N 2.79Å; D66-L70 WeakPolarHBondContact O-CB 3.43Å; D66-L70 PolarHBondContact O-N 3.26Å |
| 67 | Q | 87.1 | Confident | 89.4 | Confident | 119 Ų | 119 | 97.4 Ų | 97.4 | 56% | 0.556 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -67.3 | -43 | 171.3 | -75 | 172.9 | 22.7 | 0 | 0 | 112.2 | S63 L64 H65 L70 M71 | S63-Q67 WeakPolarHBondContact O-CB 3.24Å; S63-Q67 VanDerWaalsContact O-CG 3.23Å; S63-Q67 WeakPolarHBondContact O-CG 3.45Å; S63-Q67 PolarHBondContact O-N 2.95Å; S63-Q67 VanDerWaalsContact O-N 3.11Å; S63-Q67 PolarHBondContact OG-NE2 2.84Å; L64-Q67 PolarHBondContact O-N 2.81Å; H65-Q67 VanDerWaalsContact C-N 3.34Å; H65-Q67 PolarHBondContact O-N 3.27Å; Q67-L70 PolarHBondContact O-N 3.48Å; Q67-M71 WeakPolarHBondContact O-CG 3.33Å; Q67-M71 PolarHBondContact O-N 3.23Å |
| 68 | S | 90.7 | Very high | 89.5 | Confident | 56 Ų | 56 | 100.8 Ų | 100.8 | 39% | 0.392 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.6 | -39.8 | 178 | 72.8 | 0 | 0 | 0 | 0 | 111.4 | L64 H65 L70 M71 V72 | L64-S68 WeakPolarHBondContact O-CB 3.45Å; L64-S68 PolarHBondContact O-N 3.4Å; L64-S68 PolarHBondContact O-OG 3.47Å; H65-S68 PolarHBondContact O-N 3.42Å; H65-S68 PolarHBondContact O-OG 3.1Å; S68-L70 VanDerWaalsContact C-N 3.33Å; S68-L70 PolarHBondContact O-N 2.87Å; S68-M71 PolarHBondContact O-N 3.3Å; S68-V72 VanDerWaalsContact O-CB 3.3Å; S68-V72 WeakPolarHBondContact O-CB 3.33Å; S68-V72 VanDerWaalsContact O-CG2 3.23Å; S68-V72 WeakPolarHBondContact O-CG2 3.47Å; S68-V72 PolarHBondContact O-N 2.85Å |
| 69 | M | 89.5 | Confident | 89.5 | Confident | 74 Ų | 74 | 101.3 Ų | 101.3 | 37% | 0.365 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.3 | -33.6 | 173.7 | -75.5 | -60.2 | -58.2 | 0 | 0 | 113.1 | H65 R73 | H65-M69 WeakPolarHBondContact O-CB 3.39Å; H65-M69 WeakPolarHBondContact O-CG 3.48Å; H65-M69 PolarHBondContact O-N 2.62Å; M69-R73 WeakPolarHBondContact O-CB 3.3Å; M69-R73 VanDerWaalsContact O-CG 3.26Å; M69-R73 WeakPolarHBondContact O-CG 3.3Å; M69-R73 PolarHBondContact O-N 3.36Å |
| 70 | L | 85.6 | Confident | 89.6 | Confident | 65 Ų | 65 | 97.2 Ų | 97.2 | 34% | 0.34 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.7 | -46.7 | 173.3 | -171.7 | 149.4 | 0 | 0 | 0 | 111.3 | D66 Q67 S68 V72 R73 C74 | D66-L70 WeakPolarHBondContact O-CB 3.43Å; D66-L70 PolarHBondContact O-N 3.26Å; Q67-L70 PolarHBondContact O-N 3.48Å; S68-L70 VanDerWaalsContact C-N 3.33Å; S68-L70 PolarHBondContact O-N 2.87Å; L70-V72 PolarHBondContact O-N 2.85Å; L70-R73 PolarHBondContact O-N 3.46Å; L70-C74 PolarHBondContact O-N 3.22Å; L70-C74 PolarHBondContact O-SG 2.86Å; L70-C74 VanDerWaalsContact O-SG 3.37Å |
| 71 | M | 86.2 | Confident | 89.5 | Confident | 119 Ų | 119 | 94.6 Ų | 94.6 | 59% | 0.586 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -59.3 | -44.7 | 175.1 | -72.8 | -62.9 | -58.3 | 0 | 0 | 112.2 | Q67 S68 C74 L75 | Q67-M71 WeakPolarHBondContact O-CG 3.33Å; Q67-M71 PolarHBondContact O-N 3.23Å; S68-M71 PolarHBondContact O-N 3.3Å; M71-C74 PolarHBondContact O-N 3.38Å; M71-L75 WeakPolarHBondContact O-CG 3.3Å; M71-L75 PolarHBondContact O-N 2.96Å; M71-L75 VanDerWaalsContact O-N 3.12Å |
| 72 | V | 91.3 | Very high | 89.6 | Confident | 61 Ų | 61 | 93.1 Ų | 93.1 | 37% | 0.37 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64 | -39.2 | 177.9 | 166 | 0 | 0 | 0 | 0 | 111.3 | S68 L70 L75 Y76 | S68-V72 VanDerWaalsContact O-CB 3.3Å; S68-V72 WeakPolarHBondContact O-CB 3.33Å; S68-V72 VanDerWaalsContact O-CG2 3.23Å; S68-V72 WeakPolarHBondContact O-CG2 3.47Å; S68-V72 PolarHBondContact O-N 2.85Å; L70-V72 PolarHBondContact O-N 2.85Å; V72-L75 PolarHBondContact O-N 3.33Å; V72-Y76 HydrophobicContact CG1-CD2 3.63Å; V72-Y76 HydrophobicContact CG1-CE2 3.53Å; V72-Y76 VanDerWaalsContact O-CD2 3.23Å; V72-Y76 WeakPolarHBondContact O-CD2 3.32Å; V72-Y76 PolarHBondContact O-N 2.88Å |
| 73 | R | 89.5 | Confident | 89.6 | Confident | 160 Ų | 160 | 96.3 Ų | 96.3 | 60% | 0.604 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.9 | -50.4 | 173.6 | -79.8 | 172.3 | -179.8 | 172.6 | 1.8 | 112.2 | M69 L70 L75 Y76 D77 | M69-R73 WeakPolarHBondContact O-CB 3.3Å; M69-R73 VanDerWaalsContact O-CG 3.26Å; M69-R73 WeakPolarHBondContact O-CG 3.3Å; M69-R73 PolarHBondContact O-N 3.36Å; L70-R73 PolarHBondContact O-N 3.46Å; R73-L75 PolarHBondContact O-N 3.25Å; R73-Y76 CarbonylContact O-C 3.58Å; R73-Y76 WeakPolarHBondContact O-CA 3.47Å; R73-Y76 PolarHBondContact O-N 2.83Å; R73-D77 PolarHBondContact O-N 2.77Å |
| 74 | C | 84.8 | Confident | 89.8 | Confident | 55 Ų | 55 | 99.3 Ų | 99.3 | 37% | 0.372 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.2 | -38.3 | 178.3 | -62.7 | 0 | 0 | 0 | 0 | 112.4 | L70 M71 D77 E78 | L70-C74 PolarHBondContact O-N 3.22Å; L70-C74 PolarHBondContact O-SG 2.86Å; L70-C74 VanDerWaalsContact O-SG 3.37Å; M71-C74 PolarHBondContact O-N 3.38Å; C74-D77 PolarHBondContact O-N 2.81Å; C74-E78 WeakPolarHBondContact O-CG 3.31Å; C74-E78 PolarHBondContact O-N 3.43Å |
| 75 | L | 89.3 | Confident | 89.8 | Confident | 96 Ų | 96 | 101.7 Ų | 101.7 | 50% | 0.503 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.2 | -38.8 | 173.8 | -69.5 | 170.7 | 0 | 0 | 0 | 112.8 | M71 V72 R73 L79 | M71-L75 WeakPolarHBondContact O-CG 3.3Å; M71-L75 PolarHBondContact O-N 2.96Å; M71-L75 VanDerWaalsContact O-N 3.12Å; V72-L75 PolarHBondContact O-N 3.33Å; R73-L75 PolarHBondContact O-N 3.25Å; L75-L79 WeakPolarHBondContact O-CB 2.9Å; L75-L79 WeakPolarHBondContact O-CD1 3.29Å; L75-L79 WeakPolarHBondContact O-CG 3.17Å; L75-L79 PolarHBondContact O-N 3.4Å |
| 76 | Y | 91.9 | Very high | 89.9 | Confident | 159 Ų | 159 | 99.6 Ų | 99.6 | 62% | 0.624 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.5 | -39.7 | 173.1 | -86.6 | -64.5 | 0 | 0 | 0 | 112.6 | V72 R73 L79 E80 | V72-Y76 HydrophobicContact CG1-CD2 3.63Å; V72-Y76 HydrophobicContact CG1-CE2 3.53Å; V72-Y76 VanDerWaalsContact O-CD2 3.23Å; V72-Y76 WeakPolarHBondContact O-CD2 3.32Å; V72-Y76 PolarHBondContact O-N 2.88Å; R73-Y76 CarbonylContact O-C 3.58Å; R73-Y76 WeakPolarHBondContact O-CA 3.47Å; R73-Y76 PolarHBondContact O-N 2.83Å; Y76-L79 PolarHBondContact O-N 3.23Å; Y76-E80 WeakPolarHBondContact O-CB 3.38Å; Y76-E80 PolarHBondContact O-N 3.32Å |
| 77 | D | 88.2 | Confident | 90.2 | Very high | 100 Ų | 100 | 99 Ų | 99 | 54% | 0.535 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.4 | -41.9 | 178.2 | -60.2 | -34.7 | 0 | 0 | 0 | 111 | R73 C74 E81 | R73-D77 PolarHBondContact O-N 2.77Å; C74-D77 PolarHBondContact O-N 2.81Å; D77-E81 PolarHBondContact O-N 2.98Å |
| 78 | E | 90.3 | Very high | 90.4 | Very high | 134 Ų | 134 | 100.4 Ų | 100.4 | 63% | 0.626 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65 | -42.5 | 172.6 | -75.4 | -176.2 | -177.4 | 0 | 0 | 112.3 | C74 E81 V82 | C74-E78 WeakPolarHBondContact O-CG 3.31Å; C74-E78 PolarHBondContact O-N 3.43Å; E78-E81 PolarHBondContact O-N 3.48Å; E78-V82 WeakPolarHBondContact O-CG2 3.26Å; E78-V82 PolarHBondContact O-N 2.82Å |
| 79 | L | 92.2 | Very high | 90.5 | Very high | 108 Ų | 108 | 102.9 Ų | 102.9 | 57% | 0.565 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.6 | -40.4 | 177.8 | -76 | 168.9 | 0 | 0 | 0 | 112.4 | L75 Y76 V82 D83 | L75-L79 WeakPolarHBondContact O-CB 2.9Å; L75-L79 WeakPolarHBondContact O-CD1 3.29Å; L75-L79 WeakPolarHBondContact O-CG 3.17Å; L75-L79 PolarHBondContact O-N 3.4Å; Y76-L79 PolarHBondContact O-N 3.23Å; L79-V82 PolarHBondContact O-N 3.19Å; L79-D83 WeakPolarHBondContact O-CB 3.34Å; L79-D83 PolarHBondContact O-N 3.39Å |
| 80 | E | 92.3 | Very high | 90.7 | Very high | 98 Ų | 98 | 101.6 Ų | 101.6 | 46% | 0.458 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.5 | -40 | 177.5 | -156.1 | -153.6 | 147.3 | 0 | 0 | 111.1 | Y76 V82 D83 R84 | Y76-E80 WeakPolarHBondContact O-CB 3.38Å; Y76-E80 PolarHBondContact O-N 3.32Å; E80-V82 VanDerWaalsContact C-N 3.33Å; E80-V82 PolarHBondContact O-N 2.94Å; E80-D83 PolarHBondContact O-N 2.89Å; E80-R84 WeakPolarHBondContact O-CB 3.49Å; E80-R84 WeakPolarHBondContact O-CG 3.34Å; E80-R84 PolarHBondContact O-N 2.83Å; E80-R84 IonicContact OE1-CZ 2.66Å; E80-R84 IonicContact OE1-NE 3.66Å; E80-R84 PolarHBondContact OE1-NE 3.22Å; E80-R84 IonicContact OE1-NH2 2.75Å; E80-R84 PolarHBondContact OE1-NH2 2.87Å; E80-R84 IonicContact OE2-CZ 3.02Å; E80-R84 IonicContact OE2-NH2 3.75Å; E80-R84 PolarHBondContact OE2-NH2 3.26Å |
| 81 | E | 89.6 | Confident | 91 | Very high | 66 Ų | 66 | 102.8 Ų | 102.8 | 31% | 0.308 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.8 | -31.6 | 175 | -179.6 | 56.8 | -162.3 | 0 | 0 | 112.6 | D77 E78 R84 R85 | D77-E81 PolarHBondContact O-N 2.98Å; E78-E81 PolarHBondContact O-N 3.48Å; E81-R84 IonicContact OE2-NH1 3.83Å; E81-R84 PolarHBondContact OE2-NH1 3.39Å; E81-R84 VanDerWaalsContact OE2-NH1 3.16Å; E81-R85 VanDerWaalsContact O-CD 3.26Å; E81-R85 WeakPolarHBondContact O-CD 3.42Å; E81-R85 WeakPolarHBondContact O-CG 3.49Å; E81-R85 PolarHBondContact O-N 3.43Å; E81-R85 IonicContact OE1-CZ 2.62Å; E81-R85 IonicContact OE1-NE 3.87Å; E81-R85 PolarHBondContact OE1-NE 2.99Å; E81-R85 IonicContact OE1-NH2 3.23Å; E81-R85 PolarHBondContact OE1-NH2 3.48Å |
| 82 | V | 91.9 | Very high | 91.2 | Very high | 81 Ų | 81 | 105.3 Ų | 105.3 | 49% | 0.491 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.6 | -44 | 168.5 | 169.6 | 0 | 0 | 0 | 0 | 111.3 | E78 L79 E80 R85 V86 | E78-V82 WeakPolarHBondContact O-CG2 3.26Å; E78-V82 PolarHBondContact O-N 2.82Å; L79-V82 PolarHBondContact O-N 3.19Å; E80-V82 VanDerWaalsContact C-N 3.33Å; E80-V82 PolarHBondContact O-N 2.94Å; V82-R85 CarbonylContact O-C 3.59Å; V82-R85 WeakPolarHBondContact O-CB 3.34Å; V82-R85 PolarHBondContact O-N 3.38Å; V82-R85 VanDerWaalsContact O-N 3.12Å; V82-V86 HydrophobicContact CG1-CG2 4.27Å; V82-V86 WeakPolarHBondContact O-CG2 3.31Å; V82-V86 PolarHBondContact O-N 3.34Å |
| 83 | D | 93.7 | Very high | 91.1 | Very high | 99 Ų | 99 | 105.9 Ų | 105.9 | 53% | 0.529 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.4 | -47.3 | -177.7 | -158.7 | 42.5 | 0 | 0 | 0 | 111.4 | L79 E80 R85 V86 D87 | L79-D83 WeakPolarHBondContact O-CB 3.34Å; L79-D83 PolarHBondContact O-N 3.39Å; E80-D83 PolarHBondContact O-N 2.89Å; D83-R85 PolarHBondContact O-N 3.01Å; D83-V86 CarbonylContact O-C 3.56Å; D83-V86 WeakPolarHBondContact O-CA 3.27Å; D83-V86 WeakPolarHBondContact O-CB 3.44Å; D83-V86 PolarHBondContact O-N 2.88Å; D83-D87 PolarHBondContact O-N 2.77Å |
| 84 | R | 92.2 | Very high | 91.2 | Very high | 123 Ų | 123 | 103.2 Ų | 103.2 | 46% | 0.464 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -53.5 | -37.1 | 171 | -67.8 | 168.6 | -168.7 | 161.8 | -1.2 | 112.6 | E80 E81 K88 | E80-R84 WeakPolarHBondContact O-CB 3.49Å; E80-R84 WeakPolarHBondContact O-CG 3.34Å; E80-R84 PolarHBondContact O-N 2.83Å; E80-R84 IonicContact OE1-CZ 2.66Å; E80-R84 IonicContact OE1-NE 3.66Å; E80-R84 PolarHBondContact OE1-NE 3.22Å; E80-R84 IonicContact OE1-NH2 2.75Å; E80-R84 PolarHBondContact OE1-NH2 2.87Å; E80-R84 IonicContact OE2-CZ 3.02Å; E80-R84 IonicContact OE2-NH2 3.75Å; E80-R84 PolarHBondContact OE2-NH2 3.26Å; E81-R84 IonicContact OE2-NH1 3.83Å; E81-R84 PolarHBondContact OE2-NH1 3.39Å; E81-R84 VanDerWaalsContact OE2-NH1 3.16Å; R84-K88 VanDerWaalsContact O-CB 3.27Å; R84-K88 WeakPolarHBondContact O-CB 3.48Å; R84-K88 PolarHBondContact O-N 3.34Å |
| 85 | R | 91.6 | Very high | 91.4 | Very high | 155 Ų | 155 | 103.9 Ų | 103.9 | 59% | 0.585 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -73.5 | -39 | 176.3 | -71.7 | 167.7 | -171.4 | -167.8 | 5.6 | 112 | E81 V82 D83 K88 L89 | E81-R85 VanDerWaalsContact O-CD 3.26Å; E81-R85 WeakPolarHBondContact O-CD 3.42Å; E81-R85 WeakPolarHBondContact O-CG 3.49Å; E81-R85 PolarHBondContact O-N 3.43Å; E81-R85 IonicContact OE1-CZ 2.62Å; E81-R85 IonicContact OE1-NE 3.87Å; E81-R85 PolarHBondContact OE1-NE 2.99Å; E81-R85 IonicContact OE1-NH2 3.23Å; E81-R85 PolarHBondContact OE1-NH2 3.48Å; V82-R85 CarbonylContact O-C 3.59Å; V82-R85 WeakPolarHBondContact O-CB 3.34Å; V82-R85 PolarHBondContact O-N 3.38Å; V82-R85 VanDerWaalsContact O-N 3.12Å; D83-R85 PolarHBondContact O-N 3.01Å; R85-K88 PolarHBondContact O-N 3.1Å; R85-L89 VanDerWaalsContact O-CB 3.26Å; R85-L89 WeakPolarHBondContact O-CB 3.15Å; R85-L89 PolarHBondContact O-N 2.95Å |
| 86 | V | 93.3 | Very high | 91.4 | Very high | 58 Ų | 58 | 104 Ų | 104 | 35% | 0.352 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.7 | -42.5 | 175.1 | 169.2 | 0 | 0 | 0 | 0 | 110.8 | V82 D83 L89 T90 | V82-V86 HydrophobicContact CG1-CG2 4.27Å; V82-V86 WeakPolarHBondContact O-CG2 3.31Å; V82-V86 PolarHBondContact O-N 3.34Å; D83-V86 CarbonylContact O-C 3.56Å; D83-V86 WeakPolarHBondContact O-CA 3.27Å; D83-V86 WeakPolarHBondContact O-CB 3.44Å; D83-V86 PolarHBondContact O-N 2.88Å; V86-L89 PolarHBondContact O-N 3.2Å; V86-T90 VanDerWaalsContact O-CB 3.22Å; V86-T90 WeakPolarHBondContact O-CB 3.35Å; V86-T90 PolarHBondContact O-N 3.47Å; V86-T90 PolarHBondContact O-OG1 3.45Å |
| 87 | D | 93 | Very high | 91.3 | Very high | 92 Ų | 92 | 103.6 Ų | 103.6 | 49% | 0.492 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.5 | -48 | 173.9 | -101.4 | -0.6 | 0 | 0 | 0 | 111.8 | D83 L89 T90 N91 | D83-D87 PolarHBondContact O-N 2.77Å; D87-L89 VanDerWaalsContact C-N 3.27Å; D87-L89 PolarHBondContact O-N 3.49Å; D87-T90 PolarHBondContact O-N 2.93Å; D87-N91 WeakPolarHBondContact O-CB 3.49Å; D87-N91 PolarHBondContact O-N 3.36Å; D87-N91 PolarHBondContact O-ND2 2.87Å |
| 88 | K | 92.5 | Very high | 91.2 | Very high | 149 Ų | 149 | 104.9 Ų | 104.9 | 65% | 0.648 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.6 | -34.8 | 177 | -170.2 | 170.5 | -174.9 | 172.2 | 0 | 112.2 | R84 R85 R92 | R84-K88 VanDerWaalsContact O-CB 3.27Å; R84-K88 WeakPolarHBondContact O-CB 3.48Å; R84-K88 PolarHBondContact O-N 3.34Å; R85-K88 PolarHBondContact O-N 3.1Å; K88-R92 WeakPolarHBondContact O-CD 3.49Å; K88-R92 WeakPolarHBondContact O-CG 3.44Å; K88-R92 PolarHBondContact O-N 3.35Å |
| 89 | L | 91.5 | Very high | 91 | Very high | 109 Ų | 109 | 103.6 Ų | 103.6 | 57% | 0.571 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -73 | -43.4 | 173.9 | -178.7 | 60.2 | 0 | 0 | 0 | 111.9 | R85 V86 D87 R92 M93 | R85-L89 VanDerWaalsContact O-CB 3.26Å; R85-L89 WeakPolarHBondContact O-CB 3.15Å; R85-L89 PolarHBondContact O-N 2.95Å; V86-L89 PolarHBondContact O-N 3.2Å; D87-L89 VanDerWaalsContact C-N 3.27Å; D87-L89 PolarHBondContact O-N 3.49Å; L89-R92 PolarHBondContact O-N 3.31Å; L89-M93 WeakPolarHBondContact O-CB 2.96Å; L89-M93 PolarHBondContact O-N 3.19Å |
| 90 | T | 93.3 | Very high | 90.4 | Very high | 47 Ų | 47 | 101.1 Ų | 101.1 | 29% | 0.288 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.4 | -45.8 | -178.9 | -62.9 | 0 | 0 | 0 | 0 | 111.1 | V86 D87 R92 M93 Q94 | V86-T90 VanDerWaalsContact O-CB 3.22Å; V86-T90 WeakPolarHBondContact O-CB 3.35Å; V86-T90 PolarHBondContact O-N 3.47Å; V86-T90 PolarHBondContact O-OG1 3.45Å; D87-T90 PolarHBondContact O-N 2.93Å; T90-R92 PolarHBondContact O-N 3.45Å; T90-M93 PolarHBondContact O-N 3.24Å; T90-Q94 WeakPolarHBondContact O-CG 3.36Å; T90-Q94 PolarHBondContact O-N 3.29Å |
| 91 | N | 92.3 | Very high | 89.9 | Confident | 89 Ų | 89 | 102.8 Ų | 102.8 | 48% | 0.476 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 174.7 | -74.5 | -50.8 | 0 | 0 | 0 | 111.7 | D87 M93 Q94 T95 | D87-N91 WeakPolarHBondContact O-CB 3.49Å; D87-N91 PolarHBondContact O-N 3.36Å; D87-N91 PolarHBondContact O-ND2 2.87Å; N91-M93 VanDerWaalsContact C-N 3.35Å; N91-M93 PolarHBondContact O-N 3.32Å; N91-Q94 PolarHBondContact O-N 3.45Å; N91-T95 PolarHBondContact O-N 3.37Å; N91-T95 PolarHBondContact O-OG1 3.43Å |
| 92 | R | 91 | Very high | 89.5 | Confident | 173 Ų | 173 | 105.8 Ų | 105.8 | 65% | 0.653 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.1 | -41.7 | 173.4 | -73.5 | 172.9 | 70.6 | -161.7 | 2.7 | 112.2 | K88 L89 T90 T95 V96 | K88-R92 WeakPolarHBondContact O-CD 3.49Å; K88-R92 WeakPolarHBondContact O-CG 3.44Å; K88-R92 PolarHBondContact O-N 3.35Å; L89-R92 PolarHBondContact O-N 3.31Å; T90-R92 PolarHBondContact O-N 3.45Å; R92-T95 PolarHBondContact O-N 3.46Å; R92-V96 WeakPolarHBondContact O-CG2 3.46Å; R92-V96 PolarHBondContact O-N 2.86Å |
| 93 | M | 89.9 | Confident | 88.7 | Confident | 72 Ų | 72 | 107.8 Ų | 107.8 | 36% | 0.355 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.4 | -36.2 | 178.5 | -174 | 174.4 | 68 | 0 | 0 | 112.2 | L89 T90 N91 R97 | L89-M93 WeakPolarHBondContact O-CB 2.96Å; L89-M93 PolarHBondContact O-N 3.19Å; T90-M93 PolarHBondContact O-N 3.24Å; N91-M93 VanDerWaalsContact C-N 3.35Å; N91-M93 PolarHBondContact O-N 3.32Å; M93-R97 WeakPolarHBondContact O-CB 3.49Å; M93-R97 PolarHBondContact O-N 3.06Å |
| 94 | Q | 90.8 | Very high | 87.5 | Confident | 104 Ų | 104 | 108.7 Ų | 108.7 | 49% | 0.486 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.9 | -45 | 172.4 | -71 | -177.1 | 31.1 | 0 | 0 | 111.7 | T90 N91 R97 K98 | T90-Q94 WeakPolarHBondContact O-CG 3.36Å; T90-Q94 PolarHBondContact O-N 3.29Å; N91-Q94 PolarHBondContact O-N 3.45Å; Q94-R97 PolarHBondContact O-N 3Å; Q94-K98 PolarHBondContact O-N 3.26Å |
| 95 | T | 89.4 | Confident | 86.2 | Confident | 70 Ų | 70 | 110.3 Ų | 110.3 | 43% | 0.429 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.5 | -43.6 | 175.5 | -59.7 | 0 | 0 | 0 | 0 | 111.9 | N91 R92 R97 K98 H99 | N91-T95 PolarHBondContact O-N 3.37Å; N91-T95 PolarHBondContact O-OG1 3.43Å; R92-T95 PolarHBondContact O-N 3.46Å; T95-R97 VanDerWaalsContact C-N 3.32Å; T95-R97 PolarHBondContact O-N 3.21Å; T95-K98 PolarHBondContact O-N 2.86Å; T95-H99 WeakPolarHBondContact CG2-NE2 3.37Å; T95-H99 PolarHBondContact O-CD2 2.89Å; T95-H99 PolarHBondContact O-N 3.21Å |
| 96 | V | 88.6 | Confident | 84.8 | Confident | 99 Ų | 99 | 108.4 Ų | 108.4 | 60% | 0.6 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.4 | -39.1 | 173.6 | 169.8 | 0 | 0 | 0 | 0 | 111.4 | R92 A100 | R92-V96 WeakPolarHBondContact O-CG2 3.46Å; R92-V96 PolarHBondContact O-N 2.86Å; V96-A100 WeakPolarHBondContact O-CB 3.18Å; V96-A100 PolarHBondContact O-N 2.85Å |
| 97 | R | 89.4 | Confident | 82.7 | Confident | 149 Ų | 149 | 111.9 Ų | 111.9 | 56% | 0.562 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -66.9 | -35.3 | 175.6 | -177.8 | 174.6 | -72.5 | 166.2 | 1.2 | 112.8 | M93 Q94 T95 N101 | M93-R97 WeakPolarHBondContact O-CB 3.49Å; M93-R97 PolarHBondContact O-N 3.06Å; Q94-R97 PolarHBondContact O-N 3Å; T95-R97 VanDerWaalsContact C-N 3.32Å; T95-R97 PolarHBondContact O-N 3.21Å; R97-N101 PolarHBondContact O-N 3.25Å; R97-N101 PolarHBondContact O-OD1 3Å |
| 98 | K | 87.3 | Confident | 80.8 | Confident | 127 Ų | 127 | 111.7 Ų | 111.7 | 55% | 0.552 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -62.5 | -57 | 172.8 | -72 | 178.1 | -179.9 | -179.6 | 0 | 110.5 | Q94 T95 A100 N101 E102 | Q94-K98 PolarHBondContact O-N 3.26Å; T95-K98 PolarHBondContact O-N 2.86Å; K98-A100 VanDerWaalsContact C-N 3.28Å; K98-A100 PolarHBondContact O-N 3.49Å; K98-N101 WeakPolarHBondContact O-CA 3.21Å; K98-N101 WeakPolarHBondContact O-CB 3.33Å; K98-N101 PolarHBondContact O-N 3.24Å; K98-E102 WeakPolarHBondContact O-CG 3.36Å; K98-E102 PolarHBondContact O-N 3.34Å |
| 99 | H | 84.7 | Confident | 78.4 | Confident | 108 Ų | 108 | 112.2 Ų | 112.2 | 50% | 0.5 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -61.2 | -34.3 | 179.3 | -61.9 | -37.9 | 0 | 0 | 0 | 113.3 | T95 N101 E102 L103 | T95-H99 WeakPolarHBondContact CG2-NE2 3.37Å; T95-H99 PolarHBondContact O-CD2 2.89Å; T95-H99 PolarHBondContact O-N 3.21Å; H99-N101 VanDerWaalsContact C-N 3.27Å; H99-N101 PolarHBondContact O-N 2.93Å; H99-E102 WeakPolarHBondContact CA-OE2 3.45Å; H99-E102 IonicContact CE1-OE2 3.84Å; H99-E102 IonicContact CG-OE2 2.65Å; H99-E102 IonicContact ND1-OE2 3.81Å; H99-E102 PolarHBondContact ND1-OE2 3.39Å; H99-E102 PolarHBondContact O-N 3.49Å; H99-L103 WeakPolarHBondContact O-CG 3.39Å; H99-L103 PolarHBondContact O-N 3.08Å |
| 100 | A | 80.4 | Confident | 76.3 | Confident | 56 Ų | 56 | 109.8 Ų | 109.8 | 46% | 0.463 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67.3 | -24.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | V96 K98 | V96-A100 WeakPolarHBondContact O-CB 3.18Å; V96-A100 PolarHBondContact O-N 2.85Å; K98-A100 VanDerWaalsContact C-N 3.28Å; K98-A100 PolarHBondContact O-N 3.49Å |
| 101 | N | 80.7 | Confident | 74.1 | Confident | 132 Ų | 132 | 113.2 Ų | 113.2 | 71% | 0.706 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -87.8 | -21.7 | 172.6 | -66.6 | -7.4 | 0 | 0 | 0 | 112.5 | R97 K98 H99 | R97-N101 PolarHBondContact O-N 3.25Å; R97-N101 PolarHBondContact O-OD1 3Å; K98-N101 WeakPolarHBondContact O-CA 3.21Å; K98-N101 WeakPolarHBondContact O-CB 3.33Å; K98-N101 PolarHBondContact O-N 3.24Å; H99-N101 VanDerWaalsContact C-N 3.27Å; H99-N101 PolarHBondContact O-N 2.93Å |
| 102 | E | 81.4 | Confident | 71.8 | Confident | 129 Ų | 129 | 118.6 Ų | 118.6 | 60% | 0.603 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -82.8 | -18.2 | 176.1 | -68.8 | 156.4 | -168.2 | 0 | 0 | 112.5 | K98 H99 | K98-E102 WeakPolarHBondContact O-CG 3.36Å; K98-E102 PolarHBondContact O-N 3.34Å; H99-E102 WeakPolarHBondContact CA-OE2 3.45Å; H99-E102 IonicContact CE1-OE2 3.84Å; H99-E102 IonicContact CG-OE2 2.65Å; H99-E102 IonicContact ND1-OE2 3.81Å; H99-E102 PolarHBondContact ND1-OE2 3.39Å; H99-E102 PolarHBondContact O-N 3.49Å |
| 103 | L | 75 | Confident | 69.4 | Low | 123 Ų | 123 | 116.1 Ų | 116.1 | 64% | 0.644 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -64.9 | 123.9 | 172.7 | -78.5 | 171.9 | 0 | 0 | 0 | 110.5 | H99 L105 | H99-L103 WeakPolarHBondContact O-CG 3.39Å; H99-L103 PolarHBondContact O-N 3.08Å; L103-L105 PolarHBondContact O-N 3.04Å |
| 104 | P | 69.5 | Low | 67.2 | Low | 119 Ų | 119 | 123.8 Ų | 123.8 | 77% | 0.773 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 124.2 | 174 | 26.8 | -33.1 | 0 | 0 | 0 | 109.7 | | |
| 105 | L | 63.6 | Low | 64.7 | Low | 156 Ų | 156 | 121.4 Ų | 121.4 | 82% | 0.817 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 135.3 | 166.4 | -68.8 | 170.7 | 0 | 0 | 0 | 108.3 | L103 D107 | L103-L105 PolarHBondContact O-N 3.04Å; L105-D107 PolarHBondContact O-N 3.46Å |
| 106 | P | 62.5 | Low | 62.2 | Low | 115 Ų | 115 | 128 Ų | 128 | 75% | 0.747 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 126.6 | 176.1 | 26.8 | -33.3 | 0 | 0 | 0 | 109.6 | A108 | P106-A108 PolarHBondContact O-N 2.81Š|
| 107 | D | 50.6 | Low | 60 | Low | 132 Ų | 132 | 131 Ų | 131 | 71% | 0.706 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 123 | -179.6 | -71.8 | -54.7 | 0 | 0 | 0 | 111 | L105 E109 A110 | L105-D107 PolarHBondContact O-N 3.46Å; D107-E109 PolarHBondContact O-N 2.82Å; D107-E109 VanDerWaalsContact O-N 3.09Å; D107-A110 VanDerWaalsContact O-CB 3.29Å; D107-A110 WeakPolarHBondContact O-CB 3.2Å; D107-A110 PolarHBondContact O-N 2.93Å |
| 108 | A | 51.4 | Low | 57.5 | Low | 87 Ų | 87 | 130.1 Ų | 130.1 | 72% | 0.719 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -60 | -26.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | P106 A110 V111 | P106-A108 PolarHBondContact O-N 2.81Å; A108-A110 VanDerWaalsContact C-N 3.31Å; A108-A110 PolarHBondContact O-N 3.38Å; A108-V111 PolarHBondContact O-N 3.27Å |
| 109 | E | 42.9 | Very low | 55.2 | Low | 161 Ų | 161 | 133 Ų | 133 | 75% | 0.752 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -75.5 | -16.2 | 177 | -56.8 | -160.6 | 164.4 | 0 | 0 | 113.9 | D107 V111 | D107-E109 PolarHBondContact O-N 2.82Å; D107-E109 VanDerWaalsContact O-N 3.09Å; E109-V111 PolarHBondContact O-N 3.45Å |
| 110 | A | 48 | Very low | 52.9 | Low | 58 Ų | 58 | 134.7 Ų | 134.7 | 48% | 0.479 | 73% | 0.727 | S | S | . | * | G | 310 helix | trans | -72.2 | -12.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D107 A108 R112 | D107-A110 VanDerWaalsContact O-CB 3.29Å; D107-A110 WeakPolarHBondContact O-CB 3.2Å; D107-A110 PolarHBondContact O-N 2.93Å; A108-A110 VanDerWaalsContact C-N 3.31Å; A108-A110 PolarHBondContact O-N 3.38Å; A110-R112 PolarHBondContact O-N 3.17Å |
| 111 | V | 46.8 | Very low | 50.7 | Low | 118 Ų | 118 | 138.2 Ų | 138.2 | 72% | 0.715 | 74% | 0.737 | S | S | * | * | | | trans | -101 | 54.5 | 179.4 | -164 | 0 | 0 | 0 | 0 | 110.3 | A108 E109 | A108-V111 PolarHBondContact O-N 3.27Å; E109-V111 PolarHBondContact O-N 3.45Å |
| 112 | R | 43.1 | Very low | 48.4 | Very low | 202 Ų | 202 | 141.9 Ų | 141.9 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 136.5 | 166.9 | -71.2 | -169.3 | -177.5 | -162.3 | 0.9 | 109.7 | A110 Y114 | A110-R112 PolarHBondContact O-N 3.17Å; R112-Y114 PolarHBondContact O-N 2.87Å |
| 113 | P | 42.2 | Very low | 46.4 | Very low | 121 Ų | 121 | 142.9 Ų | 142.9 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 118.3 | -174 | 29.9 | -33.9 | 0 | 0 | 0 | 111.5 | | |
| 114 | Y | 43.2 | Very low | 44.3 | Very low | 234 Ų | 234 | 140.9 Ų | 140.9 | 92% | 0.918 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 135.1 | 145.5 | -79 | -89.2 | 0 | 0 | 0 | 107.6 | R112 | R112-Y114 PolarHBondContact O-N 2.87Š|
| 115 | G | 38.8 | Very low | 42.6 | Very low | 54 Ų | 54 | 142.5 Ų | 142.5 | 56% | 0.557 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 151.2 | -155.8 | 0 | 0 | 0 | 0 | 0 | 116 | L117 | G115-L117 VanDerWaalsContact C-N 3.31Å; G115-L117 PolarHBondContact O-N 3.35Å |
| 116 | E | 36.9 | Very low | 41.1 | Very low | 207 Ų | 207 | 139.6 Ų | 139.6 | 97% | 0.967 | 75% | 0.751 | S | S | * | * | | | trans | 36.3 | 46.5 | 146.5 | -58 | -170.9 | 133.3 | 0 | 0 | 118 | | |
| 117 | L | 40.9 | Very low | 39.7 | Very low | 162 Ų | 162 | 139 Ų | 139 | 85% | 0.848 | 75% | 0.747 | S | S | * | * | | | trans | -110.7 | 128.3 | 165.2 | -89.1 | 163.6 | 0 | 0 | 0 | 110.8 | G115 M119 | G115-L117 VanDerWaalsContact C-N 3.31Å; G115-L117 PolarHBondContact O-N 3.35Å; L117-M119 PolarHBondContact O-N 2.85Å |
| 118 | E | 37.4 | Very low | 38.8 | Very low | 132 Ų | 132 | 141.2 Ų | 141.2 | 62% | 0.617 | 75% | 0.751 | S | S | * | * | | | trans | -58.9 | 95.9 | -159.3 | -57.9 | -175.6 | 122.1 | 0 | 0 | 115.3 | N120 L121 | E118-N120 PolarHBondContact O-N 3.43Å; E118-L121 HydrophobicContact CB-CB 4.38Å; E118-L121 PolarHBondContact O-N 2.95Å; E118-L121 VanDerWaalsContact O-N 3.07Å |
| 119 | M | 38.3 | Very low | 37.9 | Very low | 187 Ų | 187 | 145.2 Ų | 145.2 | 92% | 0.921 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | 7.6 | 168.1 | -114.9 | -176.3 | -176.3 | 0 | 0 | 114.7 | L117 | L117-M119 PolarHBondContact O-N 2.85Š|
| 120 | N | 37.5 | Very low | 37.4 | Very low | 143 Ų | 143 | 145.7 Ų | 145.7 | 77% | 0.765 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | -15 | 172.9 | -66.7 | -43.7 | 0 | 0 | 0 | 113.3 | E118 W122 | E118-N120 PolarHBondContact O-N 3.43Å; N120-W122 VanDerWaalsContact C-N 3.28Å; N120-W122 PolarHBondContact O-N 2.87Å |
| 121 | L | 33.6 | Very low | 36.7 | Very low | 131 Ų | 131 | 153.4 Ų | 153.4 | 69% | 0.686 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | 20.7 | -172.3 | -153.5 | 69.9 | 0 | 0 | 0 | 114.2 | E118 | E118-L121 HydrophobicContact CB-CB 4.38Å; E118-L121 PolarHBondContact O-N 2.95Å; E118-L121 VanDerWaalsContact O-N 3.07Å |
| 122 | W | 33.7 | Very low | 36.2 | Very low | 208 Ų | 208 | 151.5 Ų | 151.5 | 79% | 0.788 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.4 | 18.8 | -172.9 | -90.8 | 68.5 | 0 | 0 | 0 | 114.6 | N120 | N120-W122 VanDerWaalsContact C-N 3.28Å; N120-W122 PolarHBondContact O-N 2.87Å |
| 123 | I | 37.7 | Very low | 35.6 | Very low | 150 Ų | 150 | 149 Ų | 149 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -114.6 | -5.6 | -176.3 | -64.8 | 176.9 | 0 | 0 | 0 | 112.7 | | |
| 124 | A | 32.6 | Very low | 35.1 | Very low | 81 Ų | 81 | 152.7 Ų | 152.7 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -112.1 | -38.2 | -162.2 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 125 | N | 33.1 | Very low | 34.8 | Very low | 154 Ų | 154 | 146.8 Ų | 146.8 | 82% | 0.824 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -146.4 | 136.3 | -168.2 | -80.9 | -52.1 | 0 | 0 | 0 | 114 | | |
| 126 | A | 31.4 | Very low | 34.5 | Very low | 95 Ų | 95 | 149.9 Ų | 149.9 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | | | trans | 62 | 143.6 | 164 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 127 | P | 34.5 | Very low | 34.6 | Very low | 101 Ų | 101 | 148.7 Ų | 148.7 | 66% | 0.656 | 76% | 0.76 | S | S | * | * | | | trans | -80.6 | -179.6 | 167.7 | 35.5 | -34.8 | 0 | 0 | 0 | 111.6 | | |
| 128 | F | 31.3 | Very low | 34.6 | Very low | 180 Ų | 180 | 144.3 Ų | 144.3 | 79% | 0.789 | 74% | 0.743 | S | S | * | * | | | trans | 93.8 | 123.1 | 173.7 | -67.3 | -78 | 0 | 0 | 0 | 118.2 | | |
| 129 | Y | 31.2 | Very low | 34.5 | Very low | 170 Ų | 170 | 141.8 Ų | 141.8 | 67% | 0.667 | 74% | 0.744 | S | S | * | * | | | trans | 85.6 | 158.7 | 149.4 | -89 | -117.6 | 0 | 0 | 0 | 122 | | |
| 130 | Y | 33.2 | Very low | 34.6 | Very low | 172 Ų | 172 | 135.4 Ų | 135.4 | 68% | 0.675 | 73% | 0.727 | S | S | * | * | | | trans | 62.6 | 77.7 | 169.4 | -65.8 | -66.3 | 0 | 0 | 0 | 120.2 | | |
| 131 | F | 32.6 | Very low | 35.2 | Very low | 219 Ų | 219 | 132 Ų | 132 | 96% | 0.961 | 71% | 0.714 | S | S | * | * | | | | -69.3 | 124.1 | 125.9 | -121.3 | -85.9 | 0 | 0 | 0 | 108.2 | | |
| 132 | A | 37 | Very low | 35.6 | Very low | 79 Ų | 79 | 131.1 Ų | 131.1 | 65% | 0.653 | 71% | 0.71 | S | S | * | * | | | trans | -80.8 | 123.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 133 | L | 30.8 | Very low | 36 | Very low | 149 Ų | 149 | 129.2 Ų | 129.2 | 78% | 0.78 | 71% | 0.707 | S | S | * | * | | | trans | 39.8 | 108.9 | 136.3 | -62.4 | 166.4 | 0 | 0 | 0 | 118.9 | | |
| 134 | R | 31.9 | Very low | 36.1 | Very low | 199 Ų | 199 | 128.3 Ų | 128.3 | 75% | 0.751 | 70% | 0.699 | S | S | * | * | | | trans | -130.4 | 112.1 | 132.6 | -77.2 | -165.1 | 175.8 | -174.3 | -0.4 | 110.9 | | |
| 135 | T | 36.3 | Very low | 36.7 | Very low | 110 Ų | 110 | 130.5 Ų | 130.5 | 68% | 0.675 | 69% | 0.694 | S | S | * | * | | | trans | 45.1 | 98.2 | 150.5 | 54.3 | 0 | 0 | 0 | 0 | 119.3 | E137 | T135-E137 VanDerWaalsContact C-N 3.31Å; T135-E137 PolarHBondContact O-N 3.48Å |
| 136 | S | 32.7 | Very low | 37.2 | Very low | 119 Ų | 119 | 129.7 Ų | 129.7 | 83% | 0.832 | 69% | 0.689 | S | S | * | * | S | Bend | trans | 56.7 | -32 | 138.6 | 48.8 | 0 | 0 | 0 | 0 | 122.7 | | |
| 137 | E | 38.4 | Very low | 38 | Very low | 181 Ų | 181 | 129.4 Ų | 129.4 | 85% | 0.846 | 68% | 0.681 | S | S | * | * | | | trans | -95 | -11.3 | -172.6 | -61.5 | -174.2 | 148.5 | 0 | 0 | 113.5 | T135 A139 | T135-E137 VanDerWaalsContact C-N 3.31Å; T135-E137 PolarHBondContact O-N 3.48Å; E137-A139 VanDerWaalsContact C-N 3.26Å; E137-A139 PolarHBondContact O-N 3.31Å; E137-A139 VanDerWaalsContact O-N 3.1Å |
| 138 | S | 41.2 | Very low | 38.6 | Very low | 70 Ų | 70 | 129.4 Ų | 129.4 | 49% | 0.49 | 68% | 0.679 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.3 | 6.4 | -168.2 | 64.3 | 0 | 0 | 0 | 0 | 116.1 | G140 S141 L142 | S138-G140 VanDerWaalsContact C-N 3.3Å; S138-G140 PolarHBondContact O-N 2.83Å; S138-S141 WeakPolarHBondContact O-CA 3.48Å; S138-S141 VanDerWaalsContact O-CB 3.29Å; S138-S141 WeakPolarHBondContact O-CB 3.45Å; S138-S141 PolarHBondContact O-N 3.4Å; S138-L142 PolarHBondContact O-N 3.28Å |
| 139 | A | 36 | Very low | 39.2 | Very low | 79 Ų | 79 | 126.3 Ų | 126.3 | 65% | 0.653 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -60.9 | -37.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E137 K143 | E137-A139 VanDerWaalsContact C-N 3.26Å; E137-A139 PolarHBondContact O-N 3.31Å; E137-A139 VanDerWaalsContact O-N 3.1Å; A139-K143 PolarHBondContact O-N 3.47Å |
| 140 | G | 38.9 | Very low | 39.8 | Very low | 53 Ų | 53 | 129.8 Ų | 129.8 | 55% | 0.546 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -67.2 | -37.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S138 K143 H144 | S138-G140 VanDerWaalsContact C-N 3.3Å; S138-G140 PolarHBondContact O-N 2.83Å; G140-K143 PolarHBondContact O-N 2.9Å; G140-H144 PolarHBondContact O-N 3.02Å; G140-H144 VanDerWaalsContact O-N 3.11Å |
| 141 | S | 50.5 | Low | 40.5 | Very low | 72 Ų | 72 | 129.3 Ų | 129.3 | 50% | 0.503 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -61.9 | -44.2 | 176.8 | -173.8 | 0 | 0 | 0 | 0 | 111.6 | S138 K143 H144 F145 | S138-S141 WeakPolarHBondContact O-CA 3.48Å; S138-S141 VanDerWaalsContact O-CB 3.29Å; S138-S141 WeakPolarHBondContact O-CB 3.45Å; S138-S141 PolarHBondContact O-N 3.4Å; S141-K143 PolarHBondContact O-N 3.33Å; S141-H144 PolarHBondContact O-N 2.91Å; S141-H144 VanDerWaalsContact O-N 3.14Å; S141-F145 WeakPolarHBondContact O-CB 3.27Å; S141-F145 PolarHBondContact O-N 2.9Å |
| 142 | L | 41.7 | Very low | 41.2 | Very low | 113 Ų | 113 | 128.8 Ų | 128.8 | 59% | 0.592 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -61.6 | -42 | 179.1 | -153.8 | 85.1 | 0 | 0 | 0 | 112 | S138 H144 F145 L146 | S138-L142 PolarHBondContact O-N 3.28Å; L142-H144 PolarHBondContact O-N 2.95Å; L142-F145 PolarHBondContact O-N 3.13Å; L142-L146 HydrophobicContact CD2-CD1 4.5Å; L142-L146 HydrophobicContact CG-CD1 4.41Å; L142-L146 WeakPolarHBondContact O-CG 3.32Å; L142-L146 PolarHBondContact O-N 3.24Å |
| 143 | K | 43.6 | Very low | 41.6 | Very low | 168 Ų | 168 | 128.7 Ų | 128.7 | 73% | 0.73 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -60.1 | -43.6 | 173.8 | -106 | -178.7 | 176.8 | 177.5 | 0 | 111.7 | A139 G140 S141 L146 S147 | A139-K143 PolarHBondContact O-N 3.47Å; G140-K143 PolarHBondContact O-N 2.9Å; S141-K143 PolarHBondContact O-N 3.33Å; K143-L146 PolarHBondContact O-N 2.96Å; K143-S147 VanDerWaalsContact O-CB 3.25Å; K143-S147 WeakPolarHBondContact O-CB 3.45Å; K143-S147 PolarHBondContact O-N 2.97Å; K143-S147 PolarHBondContact O-OG 2.66Å |
| 144 | H | 39.6 | Very low | 42.7 | Very low | 131 Ų | 131 | 125.2 Ų | 125.2 | 61% | 0.606 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -65.6 | -39.9 | 174.8 | -114.7 | 7.6 | 0 | 0 | 0 | 112.9 | G140 S141 L142 L146 S147 V148 | G140-H144 PolarHBondContact O-N 3.02Å; G140-H144 VanDerWaalsContact O-N 3.11Å; S141-H144 PolarHBondContact O-N 2.91Å; S141-H144 VanDerWaalsContact O-N 3.14Å; L142-H144 PolarHBondContact O-N 2.95Å; H144-L146 PolarHBondContact O-N 3.36Å; H144-S147 PolarHBondContact O-N 2.84Å; H144-V148 WeakPolarHBondContact O-CB 3.34Å; H144-V148 VanDerWaalsContact O-CG2 3.31Å; H144-V148 WeakPolarHBondContact O-CG2 3.45Å; H144-V148 PolarHBondContact O-N 3.39Å |
| 145 | F | 44.1 | Very low | 43.4 | Very low | 126 Ų | 126 | 120.1 Ų | 120.1 | 55% | 0.553 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -63.5 | -32.1 | 179.1 | -136.6 | -121.9 | 0 | 0 | 0 | 112.4 | S141 L142 K149 | S141-F145 WeakPolarHBondContact O-CB 3.27Å; S141-F145 PolarHBondContact O-N 2.9Å; L142-F145 PolarHBondContact O-N 3.13Å; F145-K149 WeakPolarHBondContact O-CD 3.2Å; F145-K149 WeakPolarHBondContact O-CG 3.24Å |
| 146 | L | 45 | Very low | 43.7 | Very low | 137 Ų | 137 | 119.9 Ų | 119.9 | 72% | 0.717 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -86.6 | -33.4 | 175.9 | -66.1 | 169.9 | 0 | 0 | 0 | 112.9 | L142 K143 H144 | L142-L146 HydrophobicContact CD2-CD1 4.5Å; L142-L146 HydrophobicContact CG-CD1 4.41Å; L142-L146 WeakPolarHBondContact O-CG 3.32Å; L142-L146 PolarHBondContact O-N 3.24Å; K143-L146 PolarHBondContact O-N 2.96Å; H144-L146 PolarHBondContact O-N 3.36Å |
| 147 | S | 47.6 | Very low | 44.3 | Very low | 90 Ų | 90 | 117.1 Ų | 117.1 | 63% | 0.629 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -84.4 | -19.5 | -177 | 79.3 | 0 | 0 | 0 | 0 | 114.9 | K143 H144 | K143-S147 VanDerWaalsContact O-CB 3.25Å; K143-S147 WeakPolarHBondContact O-CB 3.45Å; K143-S147 PolarHBondContact O-N 2.97Å; K143-S147 PolarHBondContact O-OG 2.66Å; H144-S147 PolarHBondContact O-N 2.84Å |
| 148 | V | 47.1 | Very low | 44.3 | Very low | 100 Ų | 100 | 116.6 Ų | 116.6 | 61% | 0.606 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -105.7 | -19.3 | -173.7 | -177.4 | 0 | 0 | 0 | 0 | 112.9 | H144 R150 | H144-V148 WeakPolarHBondContact O-CB 3.34Å; H144-V148 VanDerWaalsContact O-CG2 3.31Å; H144-V148 WeakPolarHBondContact O-CG2 3.45Å; H144-V148 PolarHBondContact O-N 3.39Å; V148-R150 PolarHBondContact O-N 3.41Å |
| 149 | K | 43.2 | Very low | 44.3 | Very low | 116 Ų | 116 | 119 Ų | 119 | 50% | 0.504 | 63% | 0.626 | S | S | . | * | | | trans | -75.4 | 86.1 | -177.6 | -82.5 | -173.9 | 174.5 | 179.8 | 0 | 113.4 | F145 H151 | F145-K149 WeakPolarHBondContact O-CD 3.2Å; F145-K149 WeakPolarHBondContact O-CG 3.24Å; K149-H151 PolarHBondContact O-N 3.4Å |
| 150 | R | 43.7 | Very low | 44.4 | Very low | 243 Ų | 243 | 124 Ų | 124 | 92% | 0.917 | 63% | 0.633 | S | S | * | * | | | trans | -58.5 | 120.7 | 136.1 | -72.8 | -175.1 | 176.5 | -177.6 | -1 | 107 | V148 | V148-R150 PolarHBondContact O-N 3.41Š|
| 151 | H | 49.1 | Very low | 44.3 | Very low | 161 Ų | 161 | 124.4 Ų | 124.4 | 75% | 0.745 | 64% | 0.637 | S | S | * | * | | | trans | -58.7 | 147.5 | 177.5 | -72.5 | -103.1 | 0 | 0 | 0 | 110.3 | K149 C153 | K149-H151 PolarHBondContact O-N 3.4Å; H151-C153 VanDerWaalsContact C-N 3.35Å; H151-C153 PolarHBondContact O-N 3.22Å |
| 152 | Y | 47.8 | Very low | 43.6 | Very low | 209 Ų | 209 | 129.9 Ų | 129.9 | 82% | 0.82 | 66% | 0.661 | S | S | * | * | | | trans | -69.1 | 94.9 | 173.4 | 179.5 | -95.7 | 0 | 0 | 0 | 109.2 | S154 | Y152-S154 PolarHBondContact O-N 3.29Š|
| 153 | C | 44.9 | Very low | 43.4 | Very low | 76 Ų | 76 | 128.4 Ų | 128.4 | 51% | 0.514 | 67% | 0.665 | S | S | . | * | | | trans | -79.5 | 111.8 | 167.9 | -66.5 | 0 | 0 | 0 | 0 | 108.8 | H151 | H151-C153 VanDerWaalsContact C-N 3.35Å; H151-C153 PolarHBondContact O-N 3.22Å |
| 154 | S | 52.4 | Low | 43.1 | Very low | 76 Ų | 76 | 127.9 Ų | 127.9 | 53% | 0.531 | 67% | 0.67 | S | S | . | * | | | trans | -51.2 | 146.5 | 146.6 | 55.3 | 0 | 0 | 0 | 0 | 108.5 | Y152 K156 | Y152-S154 PolarHBondContact O-N 3.29Å; S154-K156 PolarHBondContact O-N 3.02Å |
| 155 | A | 46.7 | Very low | 42.9 | Very low | 93 Ų | 93 | 124.3 Ų | 124.3 | 77% | 0.769 | 67% | 0.668 | S | S | * | * | | | trans | -55 | 98.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 156 | K | 43.3 | Very low | 43.1 | Very low | 105 Ų | 105 | 123.5 Ų | 123.5 | 46% | 0.457 | 67% | 0.673 | S | S | . | * | | | trans | -78.6 | 136.4 | 176.1 | -74.7 | 178.5 | 177.1 | 178.1 | 0 | 108.7 | S154 E158 E159 | S154-K156 PolarHBondContact O-N 3.02Å; K156-E158 VanDerWaalsContact C-N 3.27Å; K156-E158 PolarHBondContact O-N 2.95Å; K156-E159 VanDerWaalsContact CD-CD 3.49Å; K156-E159 HydrophobicContact CD-CG 4.4Å; K156-E159 WeakPolarHBondContact CD-OE2 3.4Å; K156-E159 IonicContact NZ-OE1 3.85Å; K156-E159 PolarHBondContact NZ-OE1 3.22Å; K156-E159 IonicContact NZ-OE2 2.6Å; K156-E159 PolarHBondContact NZ-OE2 3.22Å |
| 157 | P | 44.8 | Very low | 43 | Very low | 60 Ų | 60 | 120.8 Ų | 120.8 | 39% | 0.39 | 66% | 0.66 | S | S | . | * | S | Bend | trans | -75.6 | -3.1 | -173.4 | 27.4 | -33.2 | 0 | 0 | 0 | 115.8 | N167 | P157-N167 WeakPolarHBondContact CB-OD1 3.46Å; P157-N167 PolarHBondContact O-ND2 3.39Å |
| 158 | E | 39.5 | Very low | 43.2 | Very low | 170 Ų | 170 | 123.9 Ų | 123.9 | 79% | 0.794 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -130.4 | -5.8 | -157.6 | -73.4 | 164.8 | 169.5 | 0 | 0 | 116.4 | K156 | K156-E158 VanDerWaalsContact C-N 3.27Å; K156-E158 PolarHBondContact O-N 2.95Å |
| 159 | E | 41.8 | Very low | 43.5 | Very low | 120 Ų | 120 | 124.1 Ų | 124.1 | 56% | 0.561 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -106.5 | 4.4 | -168.8 | -73.7 | 175.5 | -178.8 | 0 | 0 | 115.7 | K156 | K156-E159 VanDerWaalsContact CD-CD 3.49Å; K156-E159 HydrophobicContact CD-CG 4.4Å; K156-E159 WeakPolarHBondContact CD-OE2 3.4Å; K156-E159 IonicContact NZ-OE1 3.85Å; K156-E159 PolarHBondContact NZ-OE1 3.22Å; K156-E159 IonicContact NZ-OE2 2.6Å; K156-E159 PolarHBondContact NZ-OE2 3.22Å |
| 160 | F | 38.2 | Very low | 44.1 | Very low | 186 Ų | 186 | 124.2 Ų | 124.2 | 82% | 0.816 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -132.6 | 119.7 | 177.6 | -78.2 | -86.1 | 0 | 0 | 0 | 112.3 | | |
| 161 | G | 36 | Very low | 45.5 | Very low | 61 Ų | 61 | 116.9 Ų | 116.9 | 63% | 0.629 | 65% | 0.65 | S | S | * | * | | | trans | -70.3 | 153.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | A163 | G161-A163 VanDerWaalsContact C-N 3.26Å; G161-A163 PolarHBondContact O-N 3.42Å |
| 162 | D | 34.7 | Very low | 46.9 | Very low | 186 Ų | 186 | 118.9 Ų | 118.9 | 100% | 0.995 | 66% | 0.657 | S | S | * | * | S | Bend | trans | 54.6 | 1.7 | 152.6 | -56.8 | -8.6 | 0 | 0 | 0 | 120.9 | | |
| 163 | A | 38.1 | Very low | 48.2 | Very low | 83 Ų | 83 | 113.5 Ų | 113.5 | 69% | 0.686 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -127.6 | -46.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 117 | G161 | G161-A163 VanDerWaalsContact C-N 3.26Å; G161-A163 PolarHBondContact O-N 3.42Å |
| 164 | L | 38.5 | Very low | 49.6 | Very low | 157 Ų | 157 | 113 Ų | 113 | 82% | 0.822 | 64% | 0.639 | S | S | * | * | | | trans | -140 | 28.1 | -161.7 | -80.1 | 167.8 | 0 | 0 | 0 | 114.6 | T166 | L164-T166 PolarHBondContact O-N 2.89Š|
| 165 | G | 34.3 | Very low | 50.7 | Low | 56 Ų | 56 | 117 Ų | 117 | 58% | 0.577 | 65% | 0.649 | S | S | * | * | | | trans | -63.2 | 117.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | N167 | G165-N167 PolarHBondContact O-N 2.95Š|
| 166 | T | 48.8 | Very low | 52.2 | Low | 108 Ų | 108 | 115.6 Ų | 115.6 | 66% | 0.663 | 63% | 0.634 | S | S | * | * | | | trans | -78.4 | 5.3 | 178.1 | 44.6 | 0 | 0 | 0 | 0 | 114.2 | L164 | L164-T166 PolarHBondContact O-N 2.89Š|
| 167 | N | 42.3 | Very low | 53.9 | Low | 80 Ų | 80 | 113.4 Ų | 113.4 | 43% | 0.428 | 62% | 0.623 | S | S | . | * | S | Bend | trans | -75.8 | 125.3 | 167.5 | -71.8 | -24.3 | 0 | 0 | 0 | 109.8 | P157 G165 T169 | P157-N167 WeakPolarHBondContact CB-OD1 3.46Å; P157-N167 PolarHBondContact O-ND2 3.39Å; G165-N167 PolarHBondContact O-N 2.95Å; N167-T169 PolarHBondContact O-N 2.97Å; N167-T169 PolarHBondContact O-OG1 3.22Å |
| 168 | Q | 52.4 | Low | 55.7 | Low | 156 Ų | 156 | 114.1 Ų | 114.1 | 73% | 0.729 | 63% | 0.628 | S | S | * | * | | | trans | -76.4 | 46 | 177.1 | -70 | -174.8 | -20.8 | 0 | 0 | 113 | L171 | Q168-L171 HydrophobicContact CB-CD1 4.09Å; Q168-L171 HydrophobicContact CB-CD2 4.06Å; Q168-L171 HydrophobicContact CB-CG 3.98Å; Q168-L171 HydrophobicContact CG-CD2 4.34Å; Q168-L171 WeakPolarHBondContact O-CG 3.19Å |
| 169 | T | 52.7 | Low | 57.4 | Low | 104 Ų | 104 | 110 Ų | 110 | 64% | 0.638 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | 140.6 | 162.8 | 46.6 | 0 | 0 | 0 | 0 | 109.1 | N167 | N167-T169 PolarHBondContact O-N 2.97Å; N167-T169 PolarHBondContact O-OG1 3.22Å |
| 170 | N | 56.7 | Low | 59.1 | Low | 118 Ų | 118 | 107 Ų | 107 | 63% | 0.631 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73.3 | 34.2 | -177.7 | -43.7 | -41.1 | 0 | 0 | 0 | 115.9 | F172 L173 | N170-F172 PolarHBondContact O-N 3.22Å; N170-L173 HydrophobicContact CB-CD1 3.83Å; N170-L173 HydrophobicContact CB-CD2 4.35Å; N170-L173 HydrophobicContact CB-CG 3.86Å; N170-L173 WeakPolarHBondContact O-CG 3.48Å; N170-L173 PolarHBondContact O-N 3.34Å |
| 171 | L | 72.5 | Confident | 61.1 | Low | 89 Ų | 89 | 102.5 Ų | 102.5 | 47% | 0.466 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -54.8 | -18.3 | 173.4 | -80.8 | 168.5 | 0 | 0 | 0 | 115.5 | Q168 S176 | Q168-L171 HydrophobicContact CB-CD1 4.09Å; Q168-L171 HydrophobicContact CB-CD2 4.06Å; Q168-L171 HydrophobicContact CB-CG 3.98Å; Q168-L171 HydrophobicContact CG-CD2 4.34Å; Q168-L171 WeakPolarHBondContact O-CG 3.19Å; L171-S176 WeakPolarHBondContact O-CB 3.16Å; L171-S176 PolarHBondContact O-OG 3.43Å |
| 172 | F | 77.8 | Confident | 63.2 | Low | 203 Ų | 203 | 104.1 Ų | 104.1 | 89% | 0.89 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | 23.6 | -174.9 | -59.8 | -71.6 | 0 | 0 | 0 | 114.5 | N170 | N170-F172 PolarHBondContact O-N 3.22Š|
| 173 | L | 77 | Confident | 65.3 | Low | 96 Ų | 96 | 100.3 Ų | 100.3 | 50% | 0.503 | 55% | 0.553 | S | S | . | * | | | trans | -57.7 | 157.3 | 171.8 | -73.4 | 166.6 | 0 | 0 | 0 | 112.2 | N170 E175 S176 R177 | N170-L173 HydrophobicContact CB-CD1 3.83Å; N170-L173 HydrophobicContact CB-CD2 4.35Å; N170-L173 HydrophobicContact CB-CG 3.86Å; N170-L173 WeakPolarHBondContact O-CG 3.48Å; N170-L173 PolarHBondContact O-N 3.34Å; L173-E175 PolarHBondContact O-N 3.15Å; L173-E175 VanDerWaalsContact O-N 3.15Å; L173-S176 PolarHBondContact N-OG 3.34Å; L173-S176 PolarHBondContact O-N 3.48Å; L173-S176 PolarHBondContact O-OG 3.27Å; L173-S176 VanDerWaalsContact O-OG 3.05Å; L173-R177 PolarHBondContact O-N 3.13Å |
| 174 | C | 72.8 | Confident | 67.2 | Low | 65 Ų | 65 | 101.2 Ų | 101.2 | 44% | 0.439 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -25.5 | 173.5 | -69.1 | 0 | 0 | 0 | 0 | 112.9 | R177 | C174-R177 WeakPolarHBondContact O-CB 3.43Š|
| 175 | E | 75.4 | Confident | 69 | Low | 160 Ų | 160 | 98.4 Ų | 98.4 | 75% | 0.748 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -40.5 | 177.8 | -63.3 | 178.2 | -178.9 | 0 | 0 | 112.8 | L173 R177 R182 | L173-E175 PolarHBondContact O-N 3.15Å; L173-E175 VanDerWaalsContact O-N 3.15Å; E175-R177 PolarHBondContact O-N 2.94Å; E175-R182 PolarHBondContact O-NH2 2.91Å |
| 176 | S | 78.5 | Confident | 71 | Confident | 64 Ų | 64 | 98 Ų | 98 | 45% | 0.448 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -6.5 | 179.6 | 60.5 | 0 | 0 | 0 | 0 | 114 | L171 L173 P178 | L171-S176 WeakPolarHBondContact O-CB 3.16Å; L171-S176 PolarHBondContact O-OG 3.43Å; L173-S176 PolarHBondContact N-OG 3.34Å; L173-S176 PolarHBondContact O-N 3.48Å; L173-S176 PolarHBondContact O-OG 3.27Å; L173-S176 VanDerWaalsContact O-OG 3.05Å; S176-P178 WeakPolarHBondContact O-CD 3.26Å |
| 177 | R | 79.8 | Confident | 72.2 | Confident | 59 Ų | 59 | 103.1 Ų | 103.1 | 22% | 0.223 | 52% | 0.523 | C | S | . | . | S | Bend | trans | -62.9 | 124.6 | 176.5 | -174 | 177 | -61.4 | 174.1 | 3 | 111.1 | L173 C174 E175 L181 R182 | L173-R177 PolarHBondContact O-N 3.13Å; C174-R177 WeakPolarHBondContact O-CB 3.43Å; E175-R177 PolarHBondContact O-N 2.94Å; R177-L181 HydrophobicContact CG-CB 3.67Å; R177-R182 HydrophobicContact CB-CG 4.24Å; R177-R182 HydrophobicContact CG-CG 4.11Å; R177-R182 WeakPolarHBondContact O-CG 3.39Å; R177-R182 VanDerWaalsContact O-CZ 3.26Å; R177-R182 PolarHBondContact O-NE 3.34Å; R177-R182 PolarHBondContact O-NH2 2.89Å |
| 178 | P | 82.6 | Confident | 73.4 | Confident | 76 Ų | 76 | 103.6 Ų | 103.6 | 49% | 0.494 | 53% | 0.533 | S | S | . | . | | | trans | -58.6 | 149.2 | 175.1 | -26.9 | 35 | 0 | 0 | 0 | 113.6 | S176 S180 L181 R182 | S176-P178 WeakPolarHBondContact O-CD 3.26Å; P178-S180 VanDerWaalsContact C-N 3.27Å; P178-S180 PolarHBondContact O-N 3.36Å; P178-L181 CarbonylContact O-C 3.57Å; P178-L181 WeakPolarHBondContact O-CA 3.26Å; P178-L181 PolarHBondContact O-N 2.9Å; P178-R182 PolarHBondContact O-N 3.34Å |
| 179 | D | 75.7 | Confident | 73.6 | Confident | 82 Ų | 82 | 98 Ų | 98 | 44% | 0.439 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.4 | -34 | -175.8 | -78.3 | -55.6 | 0 | 0 | 0 | 114.2 | L181 R182 L183 | D179-L181 VanDerWaalsContact C-N 3.29Å; D179-L181 PolarHBondContact O-N 2.87Å; D179-R182 VanDerWaalsContact CG-NH1 3.31Å; D179-R182 PolarHBondContact O-N 3Å; D179-R182 WeakPolarHBondContact OD1-CD 3.41Å; D179-R182 IonicContact OD1-CZ 2.63Å; D179-R182 IonicContact OD1-NE 2.96Å; D179-R182 IonicContact OD1-NH1 2.76Å; D179-R182 PolarHBondContact OD1-NH1 2.92Å; D179-R182 IonicContact OD2-NH1 3.16Å; D179-R182 PolarHBondContact OD2-NH1 2.7Å; D179-L183 WeakPolarHBondContact O-CB 3.37Å; D179-L183 VanDerWaalsContact O-CG 3.28Å; D179-L183 WeakPolarHBondContact O-CG 3.41Å; D179-L183 PolarHBondContact O-N 3.06Å |
| 180 | S | 76.7 | Confident | 73.6 | Confident | 58 Ų | 58 | 99 Ų | 99 | 41% | 0.406 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -57.3 | -41.3 | 172.3 | 54.3 | 0 | 0 | 0 | 0 | 112.3 | P178 L184 | P178-S180 VanDerWaalsContact C-N 3.27Å; P178-S180 PolarHBondContact O-N 3.36Å; S180-L184 VanDerWaalsContact O-CG 3.31Å; S180-L184 WeakPolarHBondContact O-CG 3.27Å; S180-L184 PolarHBondContact O-N 2.75Å |
| 181 | L | 80.2 | Confident | 73 | Confident | 91 Ų | 91 | 101.9 Ų | 101.9 | 48% | 0.476 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -79.4 | -30.6 | 175.1 | -66.8 | -178.6 | 0 | 0 | 0 | 112.7 | R177 P178 D179 L184 Y185 | R177-L181 HydrophobicContact CG-CB 3.67Å; P178-L181 CarbonylContact O-C 3.57Å; P178-L181 WeakPolarHBondContact O-CA 3.26Å; P178-L181 PolarHBondContact O-N 2.9Å; D179-L181 VanDerWaalsContact C-N 3.29Å; D179-L181 PolarHBondContact O-N 2.87Å; L181-L184 HydrophobicContact CD2-CD1 4.31Å; L181-Y185 VanDerWaalsContact O-CB 3.27Å; L181-Y185 WeakPolarHBondContact O-CB 3.16Å; L181-Y185 PolarHBondContact O-N 2.79Å |
| 182 | R | 80.5 | Confident | 72 | Confident | 96 Ų | 96 | 105.9 Ų | 105.9 | 36% | 0.362 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62 | -46.5 | 171.1 | -62 | -178 | -169.1 | 146.5 | -3.6 | 110.8 | E175 R177 P178 D179 Y185 A186 | E175-R182 PolarHBondContact O-NH2 2.91Å; R177-R182 HydrophobicContact CB-CG 4.24Å; R177-R182 HydrophobicContact CG-CG 4.11Å; R177-R182 WeakPolarHBondContact O-CG 3.39Å; R177-R182 VanDerWaalsContact O-CZ 3.26Å; R177-R182 PolarHBondContact O-NE 3.34Å; R177-R182 PolarHBondContact O-NH2 2.89Å; P178-R182 PolarHBondContact O-N 3.34Å; D179-R182 VanDerWaalsContact CG-NH1 3.31Å; D179-R182 PolarHBondContact O-N 3Å; D179-R182 WeakPolarHBondContact OD1-CD 3.41Å; D179-R182 IonicContact OD1-CZ 2.63Å; D179-R182 IonicContact OD1-NE 2.96Å; D179-R182 IonicContact OD1-NH1 2.76Å; D179-R182 PolarHBondContact OD1-NH1 2.92Å; D179-R182 IonicContact OD2-NH1 3.16Å; D179-R182 PolarHBondContact OD2-NH1 2.7Å; R182-Y185 PolarHBondContact O-N 3.14Å; R182-A186 WeakPolarHBondContact O-CB 3.4Å; R182-A186 PolarHBondContact O-N 3.45Å |
| 183 | L | 77.4 | Confident | 70.6 | Confident | 106 Ų | 106 | 102.3 Ų | 102.3 | 56% | 0.555 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.8 | -39.8 | 178.1 | -71.8 | 168 | 0 | 0 | 0 | 112.7 | D179 R187 | D179-L183 WeakPolarHBondContact O-CB 3.37Å; D179-L183 VanDerWaalsContact O-CG 3.28Å; D179-L183 WeakPolarHBondContact O-CG 3.41Å; D179-L183 PolarHBondContact O-N 3.06Å; L183-R187 WeakPolarHBondContact O-CG 3.39Å; L183-R187 PolarHBondContact O-N 3.1Å |
| 184 | L | 77.9 | Confident | 68.9 | Low | 102 Ų | 102 | 100.2 Ų | 100.2 | 53% | 0.534 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.3 | -38.9 | 174.2 | -74.3 | 168.9 | 0 | 0 | 0 | 112.2 | S180 L181 R187 S188 | S180-L184 VanDerWaalsContact O-CG 3.31Å; S180-L184 WeakPolarHBondContact O-CG 3.27Å; S180-L184 PolarHBondContact O-N 2.75Å; L181-L184 HydrophobicContact CD2-CD1 4.31Å; L184-R187 PolarHBondContact O-N 2.9Å; L184-S188 PolarHBondContact O-N 2.63Å; L184-S188 PolarHBondContact O-OG 2.94Å |
| 185 | Y | 76.4 | Confident | 67.5 | Low | 97 Ų | 97 | 102.4 Ų | 102.4 | 38% | 0.38 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65 | -48.2 | 175.8 | -165.8 | -85.4 | 0 | 0 | 0 | 111.4 | L181 R182 R187 S188 S189 Y194 | L181-Y185 VanDerWaalsContact O-CB 3.27Å; L181-Y185 WeakPolarHBondContact O-CB 3.16Å; L181-Y185 PolarHBondContact O-N 2.79Å; R182-Y185 PolarHBondContact O-N 3.14Å; Y185-R187 PolarHBondContact O-N 3.37Å; Y185-R187 VanDerWaalsContact O-N 3.14Å; Y185-S188 WeakPolarHBondContact CA-OG 3.45Å; Y185-S188 CarbonylContact O-C 3.57Å; Y185-S188 PolarHBondContact O-N 3.24Å; Y185-S188 PolarHBondContact O-OG 3.2Å; Y185-S189 PolarHBondContact O-N 2.89Å; Y185-S189 PolarHBondContact O-OG 2.88Å; Y185-Y194 AromaticContact CD1-CD2 3.84Å; Y185-Y194 HydrophobicContact CD1-CD2 3.84Å; Y185-Y194 AromaticContact CD1-CE2 3.82Å; Y185-Y194 HydrophobicContact CD1-CE2 3.82Å; Y185-Y194 AromaticContact CE1-CD2 3.39Å; Y185-Y194 HydrophobicContact CE1-CD2 3.39Å; Y185-Y194 AromaticContact CE1-CE2 3.65Å; Y185-Y194 HydrophobicContact CE1-CE2 3.65Å; Y185-Y194 HydrophobicContact CE1-CG 4.3Å |
| 186 | A | 76.5 | Confident | 65.9 | Low | 47 Ų | 47 | 102.3 Ų | 102.3 | 39% | 0.388 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.4 | -22.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R182 F196 | R182-A186 WeakPolarHBondContact O-CB 3.4Å; R182-A186 PolarHBondContact O-N 3.45Å; A186-F196 HydrophobicContact CB-CZ 4.29Å |
| 187 | R | 75.7 | Confident | 63.8 | Low | 216 Ų | 216 | 101.9 Ų | 101.9 | 82% | 0.815 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -12.7 | 171.8 | -75.9 | 177.2 | 176.2 | -173.6 | 0.6 | 114.5 | L183 L184 Y185 | L183-R187 WeakPolarHBondContact O-CG 3.39Å; L183-R187 PolarHBondContact O-N 3.1Å; L184-R187 PolarHBondContact O-N 2.9Å; Y185-R187 PolarHBondContact O-N 3.37Å; Y185-R187 VanDerWaalsContact O-N 3.14Å |
| 188 | S | 66.5 | Low | 61.9 | Low | 90 Ų | 90 | 107.2 Ų | 107.2 | 63% | 0.629 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.7 | -19.4 | -176.9 | 45.9 | 0 | 0 | 0 | 0 | 113.8 | L184 Y185 S190 | L184-S188 PolarHBondContact O-N 2.63Å; L184-S188 PolarHBondContact O-OG 2.94Å; Y185-S188 WeakPolarHBondContact CA-OG 3.45Å; Y185-S188 CarbonylContact O-C 3.57Å; Y185-S188 PolarHBondContact O-N 3.24Å; Y185-S188 PolarHBondContact O-OG 3.2Å; S188-S190 PolarHBondContact O-N 3.09Å; S188-S190 VanDerWaalsContact O-N 3.16Å |
| 189 | S | 55.7 | Low | 59.4 | Low | 38 Ų | 38 | 110.4 Ų | 110.4 | 27% | 0.266 | 57% | 0.574 | S | S | . | * | | | trans | -78.1 | 88.2 | 167 | 59.7 | 0 | 0 | 0 | 0 | 111 | Y185 R191 | Y185-S189 PolarHBondContact O-N 2.89Å; Y185-S189 PolarHBondContact O-OG 2.88Å; S189-R191 PolarHBondContact O-N 3.16Å; S189-R191 VanDerWaalsContact O-N 3.08Å |
| 190 | S | 54.1 | Low | 57.3 | Low | 125 Ų | 125 | 115 Ų | 115 | 87% | 0.874 | 59% | 0.59 | S | S | * | * | | | trans | -79.1 | 31.1 | 173.2 | 70.3 | 0 | 0 | 0 | 0 | 113.2 | S188 | S188-S190 PolarHBondContact O-N 3.09Å; S188-S190 VanDerWaalsContact O-N 3.16Å |
| 191 | R | 44.5 | Very low | 55.1 | Low | 180 Ų | 180 | 118 Ų | 118 | 68% | 0.679 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -158.4 | 154.3 | -166.7 | -151.1 | 172.3 | -167.5 | 167.7 | 2 | 111.4 | S189 D193 | S189-R191 PolarHBondContact O-N 3.16Å; S189-R191 VanDerWaalsContact O-N 3.08Å; R191-D193 WeakPolarHBondContact CD-OD2 3.09Å; R191-D193 PolarHBondContact O-N 3.13Å |
| 192 | E | 50.4 | Low | 52.6 | Low | 173 Ų | 173 | 121.6 Ų | 121.6 | 81% | 0.808 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -72.5 | 6.7 | -166.3 | -59.2 | 94.8 | 144.8 | 0 | 0 | 115.9 | Y194 | E192-Y194 PolarHBondContact O-N 3.37Å; E192-Y194 VanDerWaalsContact O-N 3.09Å |
| 193 | D | 47.5 | Very low | 50.1 | Low | 128 Ų | 128 | 121.9 Ų | 121.9 | 68% | 0.684 | 63% | 0.632 | S | S | * | * | | | trans | -76.8 | 8.1 | -169.6 | -55.2 | -62 | 0 | 0 | 0 | 115.5 | R191 | R191-D193 WeakPolarHBondContact CD-OD2 3.09Å; R191-D193 PolarHBondContact O-N 3.13Å |
| 194 | Y | 42.1 | Very low | 47.8 | Very low | 51 Ų | 51 | 123.4 Ų | 123.4 | 20% | 0.2 | 65% | 0.646 | C | S | . | * | S | Bend | trans | -106 | 120.7 | 174.5 | -146.4 | -104.9 | 0 | 0 | 0 | 110.8 | Y185 E192 F196 | Y185-Y194 AromaticContact CD1-CD2 3.84Å; Y185-Y194 HydrophobicContact CD1-CD2 3.84Å; Y185-Y194 AromaticContact CD1-CE2 3.82Å; Y185-Y194 HydrophobicContact CD1-CE2 3.82Å; Y185-Y194 AromaticContact CE1-CD2 3.39Å; Y185-Y194 HydrophobicContact CE1-CD2 3.39Å; Y185-Y194 AromaticContact CE1-CE2 3.65Å; Y185-Y194 HydrophobicContact CE1-CE2 3.65Å; Y185-Y194 HydrophobicContact CE1-CG 4.3Å; E192-Y194 PolarHBondContact O-N 3.37Å; E192-Y194 VanDerWaalsContact O-N 3.09Å; Y194-F196 VanDerWaalsContact C-N 3.29Å; Y194-F196 HydrophobicContact CD1-CD2 4Å; Y194-F196 AromaticContact CD1-CE2 3.94Å; Y194-F196 HydrophobicContact CD1-CE2 3.94Å; Y194-F196 PolarHBondContact O-N 2.78Å |
| 195 | P | 44 | Very low | 45.4 | Very low | 111 Ų | 111 | 123.6 Ų | 123.6 | 72% | 0.721 | 65% | 0.648 | S | S | * | * | | | trans | -70.4 | 88 | 174.4 | 29.7 | -33.8 | 0 | 0 | 0 | 109.5 | G197 | P195-G197 PolarHBondContact O-N 3.43Š|
| 196 | F | 41.2 | Very low | 43.1 | Very low | 158 Ų | 158 | 124.1 Ų | 124.1 | 69% | 0.693 | 67% | 0.665 | S | S | * | * | | | trans | -70.3 | 31.7 | 168.9 | -98.7 | -80 | 0 | 0 | 0 | 112.9 | A186 Y194 L198 | A186-F196 HydrophobicContact CB-CZ 4.29Å; Y194-F196 VanDerWaalsContact C-N 3.29Å; Y194-F196 HydrophobicContact CD1-CD2 4Å; Y194-F196 AromaticContact CD1-CE2 3.94Å; Y194-F196 HydrophobicContact CD1-CE2 3.94Å; Y194-F196 PolarHBondContact O-N 2.78Å; F196-L198 PolarHBondContact O-N 3.32Å |
| 197 | G | 35.2 | Very low | 40.6 | Very low | 55 Ų | 55 | 130.6 Ų | 130.6 | 57% | 0.567 | 69% | 0.685 | S | S | * | * | | | trans | -76.8 | 97.8 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | P195 Q199 | P195-G197 PolarHBondContact O-N 3.43Å; G197-Q199 PolarHBondContact O-N 3.21Å |
| 198 | L | 38.5 | Very low | 38.3 | Very low | 172 Ų | 172 | 124.1 Ų | 124.1 | 90% | 0.901 | 68% | 0.678 | S | S | * | * | | | trans | -67.9 | 58.6 | 153.9 | -84.1 | 167.5 | 0 | 0 | 0 | 109.6 | F196 K200 | F196-L198 PolarHBondContact O-N 3.32Å; L198-K200 PolarHBondContact O-N 2.88Å |
| 199 | Q | 30.2 | Very low | 36.4 | Very low | 143 Ų | 143 | 125.3 Ų | 125.3 | 67% | 0.668 | 68% | 0.681 | S | S | * | * | | | trans | -66.5 | 95.1 | 155.2 | -71.1 | -165.3 | 64.9 | 0 | 0 | 105.7 | G197 | G197-Q199 PolarHBondContact O-N 3.21Š|
| 200 | K | 32.5 | Very low | 35 | Very low | 179 Ų | 179 | 132 Ų | 132 | 78% | 0.778 | 71% | 0.708 | S | S | * | * | | | trans | -38.7 | 140.6 | 142.3 | -65.4 | 179.4 | 177.2 | -178.5 | 0 | 106.9 | L198 K202 | L198-K200 PolarHBondContact O-N 2.88Å; K200-K202 PolarHBondContact O-N 3.45Å |
| 201 | P | 29.5 | Very low | 33.9 | Very low | 121 Ų | 121 | 131.1 Ų | 131.1 | 79% | 0.786 | 70% | 0.698 | S | S | * | * | | | trans | -49.4 | 118.4 | 173.4 | 22.8 | -33.4 | 0 | 0 | 0 | 106.9 | T203 | P201-T203 PolarHBondContact O-N 2.83Š|
| 202 | K | 28.3 | Very low | 33 | Very low | 165 Ų | 165 | 131.7 Ų | 131.7 | 72% | 0.717 | 71% | 0.708 | S | S | * | * | | | trans | -59.9 | 109.2 | 176.3 | -81.7 | -174.4 | 178.4 | 179.7 | 0 | 104.8 | K200 T204 | K200-K202 PolarHBondContact O-N 3.45Å; K202-T204 PolarHBondContact O-N 3.18Å |
| 203 | T | 28.9 | Very low | 32.2 | Very low | 102 Ų | 102 | 128.9 Ų | 128.9 | 63% | 0.626 | 71% | 0.705 | S | S | * | * | | | trans | -54.9 | 116.8 | 156.8 | 42.6 | 0 | 0 | 0 | 0 | 104.6 | P201 D205 | P201-T203 PolarHBondContact O-N 2.83Å; T203-D205 WeakPolarHBondContact CB-OD2 3.33Å; T203-D205 PolarHBondContact O-N 3.26Å; T203-D205 PolarHBondContact OG1-OD2 2.88Å |
| 204 | T | 29.1 | Very low | 31.3 | Very low | 139 Ų | 139 | 130.5 Ų | 130.5 | 85% | 0.853 | 71% | 0.714 | S | S | * | * | | | trans | -73 | 59.2 | 159.5 | 46.9 | 0 | 0 | 0 | 0 | 107.5 | K202 S206 | K202-T204 PolarHBondContact O-N 3.18Å; T204-S206 PolarHBondContact O-N 3.48Å |
| 205 | D | 26.3 | Very low | 30.9 | Very low | 106 Ų | 106 | 136.7 Ų | 136.7 | 57% | 0.567 | 74% | 0.744 | S | S | * | * | | | trans | -58.7 | 94.9 | 149.1 | -63.3 | -46.3 | 0 | 0 | 0 | 104 | T203 F207 | T203-D205 WeakPolarHBondContact CB-OD2 3.33Å; T203-D205 PolarHBondContact O-N 3.26Å; T203-D205 PolarHBondContact OG1-OD2 2.88Å; D205-F207 VanDerWaalsContact C-N 3.29Å; D205-F207 PolarHBondContact O-N 3.06Å |
| 206 | S | 28.5 | Very low | 30.2 | Very low | 107 Ų | 107 | 137 Ų | 137 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | | | trans | -60.2 | 100.9 | 167.9 | 50.5 | 0 | 0 | 0 | 0 | 106.1 | T204 A208 | T204-S206 PolarHBondContact O-N 3.48Å; S206-A208 PolarHBondContact O-N 3.31Å |
| 207 | F | 25 | Very low | 29.7 | Very low | 183 Ų | 183 | 138.8 Ų | 138.8 | 80% | 0.803 | 75% | 0.752 | S | S | * | * | | | trans | -62.2 | 82.1 | 172.9 | -91.2 | -96.4 | 0 | 0 | 0 | 108.7 | D205 V209 | D205-F207 VanDerWaalsContact C-N 3.29Å; D205-F207 PolarHBondContact O-N 3.06Å; F207-V209 HydrophobicContact CB-CG2 4.4Å; F207-V209 PolarHBondContact O-N 2.76Å |
| 208 | A | 26.1 | Very low | 29.6 | Very low | 81 Ų | 81 | 141 Ų | 141 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | | | trans | -66.7 | 87.6 | 159.6 | 0 | 0 | 0 | 0 | 0 | 106.2 | S206 Q210 | S206-A208 PolarHBondContact O-N 3.31Å; A208-Q210 PolarHBondContact O-N 3.36Å |
| 209 | V | 26.6 | Very low | 29.2 | Very low | 115 Ų | 115 | 139.2 Ų | 139.2 | 70% | 0.697 | 75% | 0.746 | S | S | * | * | | | trans | -70.4 | 77.2 | 168.9 | -177.5 | 0 | 0 | 0 | 0 | 107.2 | F207 T211 | F207-V209 HydrophobicContact CB-CG2 4.4Å; F207-V209 PolarHBondContact O-N 2.76Å; V209-T211 HydrophobicContact CG1-CG2 4.22Å |
| 210 | Q | 27.6 | Very low | 29.2 | Very low | 177 Ų | 177 | 139.6 Ų | 139.6 | 83% | 0.827 | 75% | 0.752 | S | S | * | * | | | trans | -92.3 | 92.7 | 160.2 | -74.4 | -170.7 | -53.1 | 0 | 0 | 106.9 | A208 E212 | A208-Q210 PolarHBondContact O-N 3.36Å; Q210-E212 PolarHBondContact O-N 2.88Å |
| 211 | T | 30.2 | Very low | 29.2 | Very low | 108 Ų | 108 | 136.4 Ų | 136.4 | 66% | 0.663 | 75% | 0.753 | S | S | * | * | | | trans | -57.4 | 127.1 | 164.7 | 44.9 | 0 | 0 | 0 | 0 | 109.7 | V209 P213 | V209-T211 HydrophobicContact CG1-CG2 4.22Å; T211-P213 WeakPolarHBondContact O-CD 3.35Å |
| 212 | E | 26 | Very low | 29.3 | Very low | 192 Ų | 192 | 135 Ų | 135 | 90% | 0.897 | 75% | 0.745 | S | S | * | * | | | trans | -66 | 134.6 | 155.7 | -65.1 | 179.4 | 146.8 | 0 | 0 | 108.8 | Q210 | Q210-E212 PolarHBondContact O-N 2.88Š|
| 213 | P | 32.7 | Very low | 29.3 | Very low | 114 Ų | 114 | 136.3 Ų | 136.3 | 74% | 0.74 | 75% | 0.752 | S | S | * | * | | | trans | -134.5 | 76.5 | 167.8 | 34.7 | -14.1 | 0 | 0 | 0 | 110.1 | T211 | T211-P213 WeakPolarHBondContact O-CD 3.35Š|
| 214 | D | 28.3 | Very low | 29.2 | Very low | 162 Ų | 162 | 137.2 Ų | 137.2 | 87% | 0.866 | 76% | 0.762 | S | S | * | * | | | trans | -116.4 | 34.2 | -179 | -137.6 | 18.6 | 0 | 0 | 0 | 112 | | |
| 215 | E | 34.8 | Very low | 29.3 | Very low | 180 Ų | 180 | 136.8 Ų | 136.8 | 84% | 0.841 | 76% | 0.759 | S | S | * | * | | | trans | -119.7 | 115.5 | 164.1 | -73.1 | -159 | 155.9 | 0 | 0 | 110.6 | | |
| 216 | V | 28.1 | Very low | 29.5 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | | | trans | -87.2 | 112.9 | -179.4 | 176.8 | 0 | 0 | 0 | 0 | 110.1 | T218 | V216-T218 HydrophobicContact CG1-CG2 4.23Š|
| 217 | F | 31.6 | Very low | 29.6 | Very low | 195 Ų | 195 | 142.9 Ų | 142.9 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | | | trans | -135.4 | 150.7 | 157.8 | -81.8 | -73.6 | 0 | 0 | 0 | 110.6 | | |
| 218 | T | 32.2 | Very low | 29.8 | Very low | 100 Ų | 100 | 144 Ų | 144 | 61% | 0.613 | 77% | 0.773 | S | S | * | * | | | trans | -115.5 | 158 | -144.4 | 58.9 | 0 | 0 | 0 | 0 | 115.7 | V216 | V216-T218 HydrophobicContact CG1-CG2 4.23Š|
| 219 | D | 29.7 | Very low | 30 | Very low | 135 Ų | 135 | 151.3 Ų | 151.3 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | | | trans | 76.6 | 141.4 | 151.4 | -51 | -35.7 | 0 | 0 | 0 | 121.6 | | |
| 220 | D | 30.5 | Very low | 30.1 | Very low | 151 Ų | 151 | 151.9 Ų | 151.9 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | | | trans | 49.2 | 100.2 | 155.6 | -60.4 | -18.9 | 0 | 0 | 0 | 119.2 | | |
| 221 | S | 33.9 | Very low | 30.3 | Very low | 113 Ų | 113 | 155 Ų | 155 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | | | | -171.1 | 153.3 | 60.4 | 35.6 | 0 | 0 | 0 | 0 | 114.5 | | |
| 222 | S | 30.1 | Very low | 30.4 | Very low | 90 Ų | 90 | 155.7 Ų | 155.7 | 63% | 0.629 | 80% | 0.8 | S | S | * | * | | | trans | -29.1 | 138.5 | 170.9 | 53.6 | 0 | 0 | 0 | 0 | 116 | | |
| 223 | F | 28 | Very low | 30.7 | Very low | 193 Ų | 193 | 158.5 Ų | 158.5 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | | | | -160.1 | 141.5 | 69.8 | -102.5 | -82.5 | 0 | 0 | 0 | 113.9 | | |
| 224 | S | 28.1 | Very low | 30.7 | Very low | 122 Ų | 122 | 163.4 Ų | 163.4 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | | | trans | -78.5 | 140.7 | -178.8 | -46.9 | 0 | 0 | 0 | 0 | 113.6 | | |
| 225 | V | 31 | Very low | 30.8 | Very low | 129 Ų | 129 | 167.3 Ų | 167.3 | 78% | 0.782 | 81% | 0.809 | S | S | * | * | | | trans | -118.2 | 120.3 | 169.7 | -179.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 226 | D | 31.3 | Very low | 30.5 | Very low | 136 Ų | 136 | 164 Ų | 164 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | | | trans | -83.5 | 128 | -169.3 | -172.9 | 5.4 | 0 | 0 | 0 | 112.9 | R228 | D226-R228 PolarHBondContact O-N 3.33Š|
| 227 | F | 29.3 | Very low | 30.7 | Very low | 206 Ų | 206 | 163 Ų | 163 | 90% | 0.904 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -78.4 | 32.3 | -172.7 | -90.1 | -90.8 | 0 | 0 | 0 | 114.3 | | |
| 228 | R | 29.8 | Very low | 30.5 | Very low | 207 Ų | 207 | 163.2 Ų | 163.2 | 78% | 0.781 | 80% | 0.804 | S | S | * | * | | | trans | -136.4 | 64.6 | -172.5 | -67.5 | -167.5 | 174.8 | -159.9 | -0.2 | 116.1 | D226 | D226-R228 PolarHBondContact O-N 3.33Š|
| 229 | R | 30.1 | Very low | 30.5 | Very low | 233 Ų | 233 | 164 Ų | 164 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | | | trans | -167.7 | 129 | 148 | -102.1 | 139.8 | -166.6 | -145.2 | 1.9 | 113 | | |
| 230 | P | 29.4 | Very low | 30.6 | Very low | 128 Ų | 128 | 161.5 Ų | 161.5 | 83% | 0.831 | 81% | 0.812 | S | S | * | * | | | trans | -73.8 | 142.1 | 168.2 | 31.5 | -33.4 | 0 | 0 | 0 | 110.7 | | |
| 231 | R | 30.8 | Very low | 31 | Very low | 242 Ų | 242 | 161.8 Ų | 161.8 | 91% | 0.913 | 81% | 0.814 | S | S | * | * | | | trans | -121.8 | 148.8 | 170.2 | -83.6 | -173.3 | 167.2 | -177.2 | -3.4 | 111.6 | | |
| 232 | P | 32.7 | Very low | 31.6 | Very low | 122 Ų | 122 | 162.4 Ų | 162.4 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 162.3 | -151.3 | -2 | 24.5 | 0 | 0 | 0 | 114.5 | R234 | P232-R234 PolarHBondContact O-N 3.35Š|
| 233 | R | 31.3 | Very low | 32.3 | Very low | 252 Ų | 252 | 163.4 Ų | 163.4 | 95% | 0.951 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 123.4 | 170.3 | -70.2 | 171.9 | 164.5 | 144.8 | -7.1 | 111.3 | | |
| 234 | R | 33.6 | Very low | 33.2 | Very low | 216 Ų | 216 | 161.6 Ų | 161.6 | 82% | 0.815 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -97 | 148 | 154.9 | -101.1 | -173.1 | 173.1 | -159.5 | -0.7 | 109.8 | P232 E673 | P232-R234 PolarHBondContact O-N 3.35Å; R234-E673 IonicContact CZ-OE1 3.93Å; R234-E673 IonicContact NE-OE1 3.14Å; R234-E673 IonicContact NH2-OE1 2.77Å; R234-E673 PolarHBondContact NH2-OE1 3.47Å |
| 235 | R | 30.9 | Very low | 34.3 | Very low | 245 Ų | 245 | 157.7 Ų | 157.7 | 93% | 0.925 | 79% | 0.787 | S | S | * | * | | | trans | -105.9 | 130.8 | -177 | -73.9 | 175.1 | 162.5 | -172.5 | -5.5 | 110.9 | | |
| 236 | S | 29 | Very low | 35.9 | Very low | 110 Ų | 110 | 154.7 Ų | 154.7 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | | | trans | -171.3 | 139.3 | 160.2 | 50.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 237 | S | 30.7 | Very low | 36.9 | Very low | 97 Ų | 97 | 153 Ų | 153 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | | | cis | -176.4 | 115.9 | -19.1 | 40.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 238 | F | 28 | Very low | 38.5 | Very low | 200 Ų | 200 | 149 Ų | 149 | 88% | 0.877 | 75% | 0.75 | S | S | * | * | | | trans | 61.3 | 153.3 | 171 | -70.6 | -106.4 | 0 | 0 | 0 | 116 | | |
| 239 | S | 32 | Very low | 40.3 | Very low | 116 Ų | 116 | 142.8 Ų | 142.8 | 81% | 0.811 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | cis | -72.2 | 162.6 | -0.4 | -63.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 240 | A | 33 | Very low | 41.9 | Very low | 84 Ų | 84 | 137.6 Ų | 137.6 | 69% | 0.694 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 126.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | T242 | A240-T242 PolarHBondContact O-N 2.66Š|
| 241 | D | 38.4 | Very low | 43.2 | Very low | 156 Ų | 156 | 136 Ų | 136 | 83% | 0.834 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 128.7 | 163.8 | -73.4 | -55.2 | 0 | 0 | 0 | 108.4 | | |
| 242 | T | 46.4 | Very low | 44.6 | Very low | 126 Ų | 126 | 130.9 Ų | 130.9 | 77% | 0.773 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 132.4 | 171.6 | 38.8 | 0 | 0 | 0 | 0 | 108.8 | A240 L244 | A240-T242 PolarHBondContact O-N 2.66Å; T242-L244 PolarHBondContact O-N 2.73Å |
| 243 | P | 44 | Very low | 46 | Very low | 112 Ų | 112 | 130.8 Ų | 130.8 | 73% | 0.727 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 131.3 | -179.1 | 22.9 | -33.3 | 0 | 0 | 0 | 109.3 | P245 | P243-P245 VanDerWaalsContact O-N 3.16Š|
| 244 | L | 46.9 | Very low | 47 | Very low | 154 Ų | 154 | 125.8 Ų | 125.8 | 81% | 0.806 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 125.3 | 178.5 | -79.3 | 167.5 | 0 | 0 | 0 | 108.3 | T242 T246 | T242-L244 PolarHBondContact O-N 2.73Å; L244-T246 PolarHBondContact O-N 2.71Å |
| 245 | P | 52.1 | Low | 47.9 | Very low | 41 Ų | 41 | 119.6 Ų | 119.6 | 27% | 0.266 | 65% | 0.646 | S | S | . | * | P | Polyproline II helix | trans | -56.7 | 129.6 | -170.8 | 19.9 | -31.8 | 0 | 0 | 0 | 109.7 | P243 E249 K250 | P243-P245 VanDerWaalsContact O-N 3.16Å; P245-E249 HydrophobicContact CB-CB 3.7Å; P245-E249 WeakPolarHBondContact CB-OE2 3.14Å; P245-K250 HydrophobicContact CB-CG 4.04Å; P245-K250 HydrophobicContact CG-CG 3.99Å; P245-K250 WeakPolarHBondContact O-CE 3.39Å |
| 246 | T | 64 | Low | 48.7 | Very low | 66 Ų | 66 | 110.8 Ų | 110.8 | 41% | 0.405 | 63% | 0.626 | S | S | . | * | P | Polyproline II helix | trans | -57.7 | 164.5 | -179.9 | 75.2 | 0 | 0 | 0 | 0 | 110.7 | L244 E248 E249 K250 | L244-T246 PolarHBondContact O-N 2.71Å; T246-E248 WeakPolarHBondContact CB-OE2 3.33Å; T246-E248 PolarHBondContact O-N 3.26Å; T246-E248 PolarHBondContact OG1-N 3.47Å; T246-E248 PolarHBondContact OG1-OE2 2.95Å; T246-E249 PolarHBondContact O-N 3.15Å; T246-E249 VanDerWaalsContact O-N 3.1Å; T246-E249 PolarHBondContact OG1-N 3.05Å; T246-K250 WeakPolarHBondContact O-CG 3.13Å; T246-K250 PolarHBondContact O-N 3.23Å |
| 247 | P | 53 | Low | 49.6 | Very low | 101 Ų | 101 | 109.6 Ų | 109.6 | 66% | 0.656 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -50.8 | -41.8 | 171.5 | -27.5 | 37.4 | 0 | 0 | 0 | 112.3 | K250 V251 | P247-K250 PolarHBondContact O-N 2.86Å; P247-V251 WeakPolarHBondContact O-CB 3.5Å; P247-V251 VanDerWaalsContact O-CG2 3.31Å; P247-V251 WeakPolarHBondContact O-CG2 3.22Å; P247-V251 PolarHBondContact O-N 2.89Å |
| 248 | E | 63.3 | Low | 49.9 | Very low | 121 Ų | 121 | 108.9 Ų | 108.9 | 57% | 0.565 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.9 | -45.8 | 174.4 | -57 | 81.8 | -179.8 | 0 | 0 | 112.5 | T246 K250 V251 Q252 | T246-E248 WeakPolarHBondContact CB-OE2 3.33Å; T246-E248 PolarHBondContact O-N 3.26Å; T246-E248 PolarHBondContact OG1-N 3.47Å; T246-E248 PolarHBondContact OG1-OE2 2.95Å; E248-K250 VanDerWaalsContact C-N 3.31Å; E248-K250 PolarHBondContact O-N 3.01Å; E248-V251 PolarHBondContact O-N 2.6Å; E248-Q252 WeakPolarHBondContact O-CB 3.49Å; E248-Q252 WeakPolarHBondContact O-CG 3.38Å; E248-Q252 PolarHBondContact O-N 2.81Å |
| 249 | E | 66.1 | Low | 50.3 | Low | 77 Ų | 77 | 106.5 Ų | 106.5 | 36% | 0.36 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -61.8 | -38.5 | 176.3 | -92.2 | -156.8 | -160.8 | 0 | 0 | 112.3 | P245 T246 Q252 K253 | P245-E249 HydrophobicContact CB-CB 3.7Å; P245-E249 WeakPolarHBondContact CB-OE2 3.14Å; T246-E249 PolarHBondContact O-N 3.15Å; T246-E249 VanDerWaalsContact O-N 3.1Å; T246-E249 PolarHBondContact OG1-N 3.05Å; E249-Q252 PolarHBondContact O-N 3.47Å; E249-K253 VanDerWaalsContact O-CB 3.25Å; E249-K253 WeakPolarHBondContact O-CB 3.43Å; E249-K253 WeakPolarHBondContact O-CD 3.41Å; E249-K253 VanDerWaalsContact O-CG 3.27Å; E249-K253 WeakPolarHBondContact O-CG 3.49Å; E249-K253 PolarHBondContact O-N 3.31Å; E249-K253 IonicContact OE2-NZ 2.7Å; E249-K253 PolarHBondContact OE2-NZ 2.93Å |
| 250 | K | 63.4 | Low | 50.2 | Low | 124 Ų | 124 | 106.4 Ų | 106.4 | 54% | 0.539 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64.9 | -44.6 | 175.9 | -73.9 | 175.4 | 178.3 | 170.6 | 0 | 110.7 | P245 T246 P247 E248 K253 F254 | P245-K250 HydrophobicContact CB-CG 4.04Å; P245-K250 HydrophobicContact CG-CG 3.99Å; P245-K250 WeakPolarHBondContact O-CE 3.39Å; T246-K250 WeakPolarHBondContact O-CG 3.13Å; T246-K250 PolarHBondContact O-N 3.23Å; P247-K250 PolarHBondContact O-N 2.86Å; E248-K250 VanDerWaalsContact C-N 3.31Å; E248-K250 PolarHBondContact O-N 3.01Å; K250-K253 PolarHBondContact O-N 3.09Å; K250-F254 VanDerWaalsContact O-CB 3.3Å; K250-F254 WeakPolarHBondContact O-CB 3.48Å; K250-F254 PolarHBondContact O-N 2.94Å |
| 251 | V | 57.2 | Low | 50.1 | Low | 93 Ų | 93 | 108.4 Ų | 108.4 | 56% | 0.564 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65 | -42.9 | 175.5 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | P247 E248 F254 V255 | P247-V251 WeakPolarHBondContact O-CB 3.5Å; P247-V251 VanDerWaalsContact O-CG2 3.31Å; P247-V251 WeakPolarHBondContact O-CG2 3.22Å; P247-V251 PolarHBondContact O-N 2.89Å; E248-V251 PolarHBondContact O-N 2.6Å; V251-F254 PolarHBondContact O-N 2.87Å; V251-V255 HydrophobicContact CG1-CG2 4.26Å; V251-V255 WeakPolarHBondContact O-CB 3.37Å; V251-V255 VanDerWaalsContact O-CG2 3.29Å; V251-V255 WeakPolarHBondContact O-CG2 3.27Å; V251-V255 PolarHBondContact O-N 2.84Å |
| 252 | Q | 61.2 | Low | 49.6 | Very low | 136 Ų | 136 | 106.9 Ų | 106.9 | 64% | 0.636 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.6 | -40.8 | 176.8 | -73.9 | -177.6 | 6.8 | 0 | 0 | 112.3 | E248 E249 F254 V255 A256 | E248-Q252 WeakPolarHBondContact O-CB 3.49Å; E248-Q252 WeakPolarHBondContact O-CG 3.38Å; E248-Q252 PolarHBondContact O-N 2.81Å; E249-Q252 PolarHBondContact O-N 3.47Å; Q252-F254 VanDerWaalsContact C-N 3.34Å; Q252-V255 PolarHBondContact O-N 2.99Å; Q252-A256 WeakPolarHBondContact O-CB 3.35Å; Q252-A256 PolarHBondContact O-N 2.81Å |
| 253 | K | 61.6 | Low | 48.7 | Very low | 120 Ų | 120 | 107.9 Ų | 107.9 | 52% | 0.522 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -65.5 | -36.8 | 173.5 | -76 | 164.2 | 177.3 | 163.5 | 0 | 111.6 | E249 K250 A257 | E249-K253 VanDerWaalsContact O-CB 3.25Å; E249-K253 WeakPolarHBondContact O-CB 3.43Å; E249-K253 WeakPolarHBondContact O-CD 3.41Å; E249-K253 VanDerWaalsContact O-CG 3.27Å; E249-K253 WeakPolarHBondContact O-CG 3.49Å; E249-K253 PolarHBondContact O-N 3.31Å; E249-K253 IonicContact OE2-NZ 2.7Å; E249-K253 PolarHBondContact OE2-NZ 2.93Å; K250-K253 PolarHBondContact O-N 3.09Å; K253-A257 WeakPolarHBondContact O-CB 3.44Å; K253-A257 PolarHBondContact O-N 3.49Å |
| 254 | F | 51.2 | Low | 48 | Very low | 147 Ų | 147 | 111.3 Ų | 111.3 | 65% | 0.645 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.9 | -47.7 | 174.1 | -162.1 | -94.2 | 0 | 0 | 0 | 111.7 | K250 V251 Q252 A256 A257 C258 | K250-F254 VanDerWaalsContact O-CB 3.3Å; K250-F254 WeakPolarHBondContact O-CB 3.48Å; K250-F254 PolarHBondContact O-N 2.94Å; V251-F254 PolarHBondContact O-N 2.87Å; Q252-F254 VanDerWaalsContact C-N 3.34Å; F254-A256 VanDerWaalsContact C-N 3.31Å; F254-A256 PolarHBondContact O-N 2.93Å; F254-A257 CarbonylContact O-C 3.43Å; F254-A257 PolarHBondContact O-N 2.94Å; F254-C258 WeakPolarHBondContact O-CB 3.37Å; F254-C258 PolarHBondContact O-N 2.99Å; F254-C258 PolarHBondContact O-SG 3.21Å; F254-C258 VanDerWaalsContact O-SG 3.34Å |
| 255 | V | 53.2 | Low | 47.3 | Very low | 86 Ų | 86 | 109 Ų | 109 | 52% | 0.521 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -62.5 | -35.9 | 175.2 | 169.9 | 0 | 0 | 0 | 0 | 111.7 | V251 Q252 C258 K259 | V251-V255 HydrophobicContact CG1-CG2 4.26Å; V251-V255 WeakPolarHBondContact O-CB 3.37Å; V251-V255 VanDerWaalsContact O-CG2 3.29Å; V251-V255 WeakPolarHBondContact O-CG2 3.27Å; V251-V255 PolarHBondContact O-N 2.84Å; Q252-V255 PolarHBondContact O-N 2.99Å; V255-C258 CarbonylContact O-C 3.58Å; V255-C258 PolarHBondContact O-N 3.19Å; V255-K259 PolarHBondContact O-N 3.11Å |
| 256 | A | 48.2 | Very low | 46.2 | Very low | 60 Ų | 60 | 114.6 Ų | 114.6 | 50% | 0.496 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -68.5 | -40.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q252 F254 C258 K259 | Q252-A256 WeakPolarHBondContact O-CB 3.35Å; Q252-A256 PolarHBondContact O-N 2.81Å; F254-A256 VanDerWaalsContact C-N 3.31Å; F254-A256 PolarHBondContact O-N 2.93Å; A256-C258 VanDerWaalsContact C-N 3.28Å; A256-C258 PolarHBondContact O-N 3.36Å; A256-K259 PolarHBondContact O-N 2.82Å |
| 257 | A | 47.4 | Very low | 44.9 | Very low | 84 Ų | 84 | 113.8 Ų | 113.8 | 69% | 0.694 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -69.2 | -25.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113 | K253 F254 | K253-A257 WeakPolarHBondContact O-CB 3.44Å; K253-A257 PolarHBondContact O-N 3.49Å; F254-A257 CarbonylContact O-C 3.43Å; F254-A257 PolarHBondContact O-N 2.94Å |
| 258 | C | 38.4 | Very low | 44.3 | Very low | 82 Ų | 82 | 113 Ų | 113 | 55% | 0.554 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | 5 | 174.6 | -66.7 | 0 | 0 | 0 | 0 | 113.9 | F254 V255 A256 | F254-C258 WeakPolarHBondContact O-CB 3.37Å; F254-C258 PolarHBondContact O-N 2.99Å; F254-C258 PolarHBondContact O-SG 3.21Å; F254-C258 VanDerWaalsContact O-SG 3.34Å; V255-C258 CarbonylContact O-C 3.58Å; V255-C258 PolarHBondContact O-N 3.19Å; A256-C258 VanDerWaalsContact C-N 3.28Å; A256-C258 PolarHBondContact O-N 3.36Å |
| 259 | K | 34.8 | Very low | 43.1 | Very low | 150 Ų | 150 | 110.6 Ų | 110.6 | 65% | 0.652 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -62.3 | 132 | 166.2 | -81.4 | -171.8 | 174.6 | -175.2 | 0 | 108.1 | V255 A256 T261 | V255-K259 PolarHBondContact O-N 3.11Å; A256-K259 PolarHBondContact O-N 2.82Å; K259-T261 PolarHBondContact O-N 3.19Å |
| 260 | P | 30.4 | Very low | 41.8 | Very low | 115 Ų | 115 | 110.5 Ų | 110.5 | 75% | 0.747 | 63% | 0.629 | S | S | * | * | | | trans | -63.4 | 112.9 | -179.7 | 25.8 | -33.4 | 0 | 0 | 0 | 109 | T262 | P260-T262 VanDerWaalsContact C-N 3.31Å; P260-T262 PolarHBondContact O-N 3.05Å |
| 261 | T | 30.1 | Very low | 40.6 | Very low | 125 Ų | 125 | 109.1 Ų | 109.1 | 77% | 0.767 | 63% | 0.626 | S | S | * | * | | | trans | -67.5 | 96.4 | 166.5 | 22.8 | 0 | 0 | 0 | 0 | 107.8 | K259 L263 | K259-T261 PolarHBondContact O-N 3.19Å; T261-L263 PolarHBondContact O-N 2.91Å |
| 262 | T | 28.1 | Very low | 39.9 | Very low | 125 Ų | 125 | 109.5 Ų | 109.5 | 77% | 0.767 | 63% | 0.625 | S | S | * | * | | | trans | -62.4 | 84.8 | 166.3 | 46.6 | 0 | 0 | 0 | 0 | 108.2 | P260 E264 | P260-T262 VanDerWaalsContact C-N 3.31Å; P260-T262 PolarHBondContact O-N 3.05Å; T262-E264 VanDerWaalsContact C-N 3.26Å; T262-E264 PolarHBondContact O-N 3.39Å |
| 263 | L | 28.5 | Very low | 39.2 | Very low | 147 Ų | 147 | 109.8 Ų | 109.8 | 77% | 0.77 | 62% | 0.624 | S | S | * | * | | | trans | -67.7 | 90.6 | 170.4 | -76.8 | 167.1 | 0 | 0 | 0 | 107.6 | T261 V265 | T261-L263 PolarHBondContact O-N 2.91Å; L263-V265 HydrophobicContact CB-CG2 4.42Å; L263-V265 WeakPolarHBondContact O-CG2 3.47Å; L263-V265 PolarHBondContact O-N 3.04Å |
| 264 | E | 28.9 | Very low | 38.2 | Very low | 183 Ų | 183 | 113.6 Ų | 113.6 | 86% | 0.855 | 64% | 0.635 | S | S | * | * | | | trans | -59.7 | 94.3 | 159.1 | -66.1 | -169.7 | 135.8 | 0 | 0 | 107.2 | T262 D266 | T262-E264 VanDerWaalsContact C-N 3.26Å; T262-E264 PolarHBondContact O-N 3.39Å; E264-D266 VanDerWaalsContact C-N 3.31Å; E264-D266 PolarHBondContact O-N 2.77Å |
| 265 | V | 31.5 | Very low | 37.6 | Very low | 106 Ų | 106 | 111 Ų | 111 | 64% | 0.642 | 63% | 0.626 | S | S | * | * | | | trans | -76 | 93.5 | 177.8 | -170.4 | 0 | 0 | 0 | 0 | 106.8 | L263 L267 | L263-V265 HydrophobicContact CB-CG2 4.42Å; L263-V265 WeakPolarHBondContact O-CG2 3.47Å; L263-V265 PolarHBondContact O-N 3.04Å; V265-L267 HydrophobicContact CB-CD1 4.27Å; V265-L267 HydrophobicContact CG1-CD1 3.86Å; V265-L267 HydrophobicContact CG1-CG 3.88Å; V265-L267 PolarHBondContact O-N 3.01Å |
| 266 | D | 30.6 | Very low | 37.2 | Very low | 159 Ų | 159 | 109.9 Ų | 109.9 | 85% | 0.85 | 62% | 0.622 | S | S | * | * | | | trans | -67.1 | 71 | -180 | -155.2 | 2.4 | 0 | 0 | 0 | 110.7 | E264 P268 | E264-D266 VanDerWaalsContact C-N 3.31Å; E264-D266 PolarHBondContact O-N 2.77Å; D266-P268 WeakPolarHBondContact O-CD 3.45Å |
| 267 | L | 37.1 | Very low | 36.7 | Very low | 49 Ų | 49 | 116.7 Ų | 116.7 | 26% | 0.257 | 64% | 0.635 | S | S | . | * | | | trans | -77.4 | 110.1 | -177.3 | -94.2 | 151.5 | 0 | 0 | 0 | 107.9 | V265 A269 M271 L272 M275 | V265-L267 HydrophobicContact CB-CD1 4.27Å; V265-L267 HydrophobicContact CG1-CD1 3.86Å; V265-L267 HydrophobicContact CG1-CG 3.88Å; V265-L267 PolarHBondContact O-N 3.01Å; L267-A269 PolarHBondContact O-N 2.87Å; L267-M271 HydrophobicContact CD2-CB 3.78Å; L267-M271 HydrophobicContact CD2-CE 3.62Å; L267-M271 HydrophobicContact CD2-CG 4.47Å; L267-M271 HydrophobicContact CD2-SD 3.94Å; L267-L272 HydrophobicContact CB-CD1 3.68Å; L267-L272 HydrophobicContact CD1-CD1 4.23Å; L267-M275 HydrophobicContact CD1-CE 3.89Å; L267-M275 HydrophobicContact CD2-CE 3.88Å |
| 268 | P | 38.4 | Very low | 36.4 | Very low | 85 Ų | 85 | 120.8 Ų | 120.8 | 55% | 0.552 | 64% | 0.637 | S | S | * | * | | | trans | -55.5 | 138.3 | -176.1 | 22.1 | -33.5 | 0 | 0 | 0 | 109.7 | D266 A270 M271 L272 | D266-P268 WeakPolarHBondContact O-CD 3.45Å; P268-A270 CarbonylContact O-C 3.58Å; P268-A270 PolarHBondContact O-N 2.74Å; P268-M271 PolarHBondContact O-N 2.83Å; P268-L272 PolarHBondContact O-N 3.43Å |
| 269 | A | 39.7 | Very low | 36.2 | Very low | 70 Ų | 70 | 127.6 Ų | 127.6 | 58% | 0.579 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -55.1 | -18.4 | -165.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | L267 K273 | L267-A269 PolarHBondContact O-N 2.87Å; A269-K273 VanDerWaalsContact O-CB 3.27Å; A269-K273 WeakPolarHBondContact O-CB 3.49Å; A269-K273 WeakPolarHBondContact O-CG 3.5Å; A269-K273 PolarHBondContact O-N 3.39Å |
| 270 | A | 38.7 | Very low | 36.1 | Very low | 74 Ų | 74 | 124 Ų | 124 | 61% | 0.612 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -68.1 | -36.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | P268 R274 | P268-A270 CarbonylContact O-C 3.58Å; P268-A270 PolarHBondContact O-N 2.74Å; A270-R274 WeakPolarHBondContact O-CB 3.43Å; A270-R274 WeakPolarHBondContact O-CG 3.16Å; A270-R274 PolarHBondContact O-N 3.25Å; A270-R274 VanDerWaalsContact O-N 3.08Å |
| 271 | M | 38.5 | Very low | 36.2 | Very low | 96 Ų | 96 | 124 Ų | 124 | 47% | 0.473 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -73.6 | -41.2 | 170.2 | -81.6 | -170.2 | 68.7 | 0 | 0 | 111.4 | L267 P268 K273 R274 M275 | L267-M271 HydrophobicContact CD2-CB 3.78Å; L267-M271 HydrophobicContact CD2-CE 3.62Å; L267-M271 HydrophobicContact CD2-CG 4.47Å; L267-M271 HydrophobicContact CD2-SD 3.94Å; P268-M271 PolarHBondContact O-N 2.83Å; M271-K273 VanDerWaalsContact C-N 3.33Å; M271-K273 PolarHBondContact O-N 2.86Å; M271-R274 CarbonylContact O-C 3.58Å; M271-R274 PolarHBondContact O-N 3.37Å; M271-M275 PolarHBondContact O-N 3.02Å |
| 272 | L | 41.6 | Very low | 36.2 | Very low | 101 Ų | 101 | 123.2 Ų | 123.2 | 53% | 0.529 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -59.5 | -44.3 | 174.2 | -131.7 | 79.1 | 0 | 0 | 0 | 111.1 | L267 P268 R274 M275 S276 | L267-L272 HydrophobicContact CB-CD1 3.68Å; L267-L272 HydrophobicContact CD1-CD1 4.23Å; P268-L272 PolarHBondContact O-N 3.43Å; L272-R274 VanDerWaalsContact C-N 3.3Å; L272-R274 PolarHBondContact O-N 3.38Å; L272-M275 PolarHBondContact O-N 3.07Å; L272-S276 WeakPolarHBondContact O-CB 3.37Å; L272-S276 PolarHBondContact O-N 3.38Å; L272-S276 PolarHBondContact O-OG 3.33Å; L272-S276 VanDerWaalsContact O-OG 3.07Å |
| 273 | K | 45.7 | Very low | 36.2 | Very low | 142 Ų | 142 | 125 Ų | 125 | 62% | 0.617 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -66.6 | -21.7 | 172 | -78.6 | 178.1 | 175.1 | 172.9 | 0 | 114.5 | A269 M271 R277 | A269-K273 VanDerWaalsContact O-CB 3.27Å; A269-K273 WeakPolarHBondContact O-CB 3.49Å; A269-K273 WeakPolarHBondContact O-CG 3.5Å; A269-K273 PolarHBondContact O-N 3.39Å; M271-K273 VanDerWaalsContact C-N 3.33Å; M271-K273 PolarHBondContact O-N 2.86Å; K273-R277 VanDerWaalsContact O-CB 3.29Å; K273-R277 WeakPolarHBondContact O-CB 3.34Å; K273-R277 WeakPolarHBondContact O-CD 3.49Å; K273-R277 WeakPolarHBondContact O-CG 3.47Å; K273-R277 PolarHBondContact O-N 2.92Å |
| 274 | R | 41.9 | Very low | 36.3 | Very low | 200 Ų | 200 | 121.9 Ų | 121.9 | 76% | 0.755 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -85 | -31 | 174.3 | -88.1 | -179.2 | 164.5 | 177.6 | -3.6 | 113.2 | A270 M271 L272 | A270-R274 WeakPolarHBondContact O-CB 3.43Å; A270-R274 WeakPolarHBondContact O-CG 3.16Å; A270-R274 PolarHBondContact O-N 3.25Å; A270-R274 VanDerWaalsContact O-N 3.08Å; M271-R274 CarbonylContact O-C 3.58Å; M271-R274 PolarHBondContact O-N 3.37Å; L272-R274 VanDerWaalsContact C-N 3.3Å; L272-R274 PolarHBondContact O-N 3.38Å |
| 275 | M | 38.7 | Very low | 36.2 | Very low | 91 Ų | 91 | 121.1 Ų | 121.1 | 45% | 0.448 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -83.1 | -40.1 | 174.5 | -66.4 | -163.9 | -70.4 | 0 | 0 | 111.8 | L267 M271 L272 R277 K278 W279 | L267-M275 HydrophobicContact CD1-CE 3.89Å; L267-M275 HydrophobicContact CD2-CE 3.88Å; M271-M275 PolarHBondContact O-N 3.02Å; L272-M275 PolarHBondContact O-N 3.07Å; M275-R277 VanDerWaalsContact C-N 3.32Å; M275-R277 PolarHBondContact O-N 3.23Å; M275-K278 CarbonylContact O-C 3.59Å; M275-K278 WeakPolarHBondContact O-CA 3.47Å; M275-K278 PolarHBondContact O-N 2.85Å; M275-W279 PolarHBondContact O-N 3.05Å |
| 276 | S | 43.4 | Very low | 36.2 | Very low | 64 Ų | 64 | 120.9 Ų | 120.9 | 45% | 0.448 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -61.5 | -39.5 | 173.3 | 68.4 | 0 | 0 | 0 | 0 | 112 | L272 K278 W279 A280 | L272-S276 WeakPolarHBondContact O-CB 3.37Å; L272-S276 PolarHBondContact O-N 3.38Å; L272-S276 PolarHBondContact O-OG 3.33Å; L272-S276 VanDerWaalsContact O-OG 3.07Å; S276-K278 PolarHBondContact O-N 3.48Å; S276-K278 VanDerWaalsContact O-N 3.11Å; S276-W279 PolarHBondContact O-N 3.17Å; S276-A280 WeakPolarHBondContact O-CB 3.19Å; S276-A280 PolarHBondContact O-N 3.12Å |
| 277 | R | 38.4 | Very low | 36.2 | Very low | 202 Ų | 202 | 122 Ų | 122 | 76% | 0.762 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -68.3 | -1.6 | 171.4 | -73.7 | -179 | 176.5 | -162.5 | -1.8 | 115.3 | K273 M275 | K273-R277 VanDerWaalsContact O-CB 3.29Å; K273-R277 WeakPolarHBondContact O-CB 3.34Å; K273-R277 WeakPolarHBondContact O-CD 3.49Å; K273-R277 WeakPolarHBondContact O-CG 3.47Å; K273-R277 PolarHBondContact O-N 2.92Å; M275-R277 VanDerWaalsContact C-N 3.32Å; M275-R277 PolarHBondContact O-N 3.23Å |
| 278 | K | 41.9 | Very low | 35.9 | Very low | 170 Ų | 170 | 124.6 Ų | 124.6 | 74% | 0.739 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -114 | -9.1 | 170.8 | -74.9 | -165.2 | 170 | -162.7 | 0 | 114.2 | M275 S276 | M275-K278 CarbonylContact O-C 3.59Å; M275-K278 WeakPolarHBondContact O-CA 3.47Å; M275-K278 PolarHBondContact O-N 2.85Å; S276-K278 PolarHBondContact O-N 3.48Å; S276-K278 VanDerWaalsContact O-N 3.11Å |
| 279 | W | 32.8 | Very low | 35.5 | Very low | 225 Ų | 225 | 128.4 Ų | 128.4 | 85% | 0.852 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -111.1 | -16.8 | 172.1 | -79.7 | -10.3 | 0 | 0 | 0 | 114 | M275 S276 T281 | M275-W279 PolarHBondContact O-N 3.05Å; S276-W279 PolarHBondContact O-N 3.17Å; W279-T281 PolarHBondContact O-N 2.96Å |
| 280 | A | 33.5 | Very low | 35 | Very low | 74 Ų | 74 | 134.9 Ų | 134.9 | 61% | 0.612 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | 5.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | S276 | S276-A280 WeakPolarHBondContact O-CB 3.19Å; S276-A280 PolarHBondContact O-N 3.12Å |
| 281 | T | 31.9 | Very low | 34.6 | Very low | 116 Ų | 116 | 139.4 Ų | 139.4 | 71% | 0.712 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.2 | 47.8 | -179.3 | 58.7 | 0 | 0 | 0 | 0 | 111.6 | W279 | W279-T281 PolarHBondContact O-N 2.96Š|
| 282 | S | 30.2 | Very low | 34.2 | Very low | 108 Ų | 108 | 140.2 Ų | 140.2 | 76% | 0.755 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -150.1 | -28.3 | 170.7 | -163.8 | 0 | 0 | 0 | 0 | 114 | | |
| 283 | N | 28.9 | Very low | 33.6 | Very low | 163 Ų | 163 | 139.3 Ų | 139.3 | 87% | 0.872 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -109.4 | 81.7 | 171.7 | -85.6 | -12.5 | 0 | 0 | 0 | 110.9 | | |
| 284 | A | 29.8 | Very low | 32.8 | Very low | 82 Ų | 82 | 138.6 Ų | 138.6 | 68% | 0.678 | 74% | 0.737 | S | S | * | * | | | trans | -145.7 | 37.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 285 | N | 28.1 | Very low | 32.2 | Very low | 167 Ų | 167 | 134.9 Ų | 134.9 | 89% | 0.893 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -161.9 | 157 | 162.1 | -114.4 | -42 | 0 | 0 | 0 | 112 | | |
| 286 | A | 30 | Very low | 31.9 | Very low | 100 Ų | 100 | 135.5 Ų | 135.5 | 83% | 0.826 | 76% | 0.756 | S | S | * | * | | | trans | 65.9 | 61.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 287 | Q | 31.1 | Very low | 31.3 | Very low | 183 Ų | 183 | 139.4 Ų | 139.4 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -139.9 | 135.9 | 137 | -158.4 | 162.6 | -0.1 | 0 | 0 | 112.1 | | |
| 288 | S | 31.6 | Very low | 31.2 | Very low | 104 Ų | 104 | 135 Ų | 135 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | | | trans | 46.3 | 96.5 | 167.7 | 49.6 | 0 | 0 | 0 | 0 | 119.4 | | |
| 289 | Q | 29.1 | Very low | 30.8 | Very low | 164 Ų | 164 | 136.1 Ų | 136.1 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | | | | -60.8 | 178.8 | 129.3 | -71.4 | 176.4 | -28.2 | 0 | 0 | 110.4 | | |
| 290 | W | 28.5 | Very low | 30.7 | Very low | 207 Ų | 207 | 128.7 Ų | 128.7 | 78% | 0.784 | 77% | 0.773 | S | S | * | * | | | trans | 71.3 | 129.3 | 174.9 | -45.4 | 77.7 | 0 | 0 | 0 | 112.2 | | |
| 291 | K | 31 | Very low | 30.6 | Very low | 168 Ų | 168 | 130.7 Ų | 130.7 | 73% | 0.73 | 78% | 0.777 | S | S | * | * | | | cis | -162.4 | 153.3 | 10.9 | -121.7 | 163.9 | 169.5 | 171.8 | 0 | 109.6 | | |
| 292 | S | 29.7 | Very low | 30.3 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | | | trans | 43.7 | 141.3 | 144.2 | -56.9 | 0 | 0 | 0 | 0 | 122.2 | | |
| 293 | A | 29.2 | Very low | 30.3 | Very low | 82 Ų | 82 | 133.7 Ų | 133.7 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | | | cis | -170.6 | 176.3 | -6.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 294 | T | 30.3 | Very low | 30.2 | Very low | 128 Ų | 128 | 135.2 Ų | 135.2 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | | | trans | 66.4 | 92.5 | 154.6 | 38.6 | 0 | 0 | 0 | 0 | 121.6 | | |
| 295 | T | 28.3 | Very low | 30.6 | Very low | 122 Ų | 122 | 136.6 Ų | 136.6 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | | | | 45.6 | 121.8 | 116.7 | 56.1 | 0 | 0 | 0 | 0 | 122.4 | | |
| 296 | A | 31.7 | Very low | 30.7 | Very low | 104 Ų | 104 | 134 Ų | 134 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | | | | -151.7 | 134.8 | 128.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 297 | D | 30.5 | Very low | 30.5 | Very low | 146 Ų | 146 | 139.6 Ų | 139.6 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | | | trans | -112.2 | 161 | -173.3 | -71 | -69.4 | 0 | 0 | 0 | 113.1 | | |
| 298 | S | 36.3 | Very low | 30.4 | Very low | 110 Ų | 110 | 141 Ų | 141 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | | | trans | 143.6 | 151.1 | 149.7 | 55.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 299 | E | 33.5 | Very low | 30.2 | Very low | 193 Ų | 193 | 141.5 Ų | 141.5 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | | | cis | -163.5 | 166.1 | -23.2 | -111.1 | -179 | 171.5 | 0 | 0 | 108.9 | | |
| 300 | G | 32.5 | Very low | 30.1 | Very low | 68 Ų | 68 | 137.8 Ų | 137.8 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | | | trans | 77.8 | 110.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 301 | T | 30.1 | Very low | 30.2 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 71% | 0.712 | 78% | 0.776 | S | S | * | * | | | cis | 94.5 | 128.1 | 10.4 | -22.1 | 0 | 0 | 0 | 0 | 118.4 | | |
| 302 | F | 25 | Very low | 29.9 | Very low | 210 Ų | 210 | 131.6 Ų | 131.6 | 92% | 0.921 | 78% | 0.775 | S | S | * | * | | | trans | 73 | 139.7 | 165.5 | -69.6 | -63.6 | 0 | 0 | 0 | 122.7 | | |
| 303 | G | 30.5 | Very low | 30.1 | Very low | 78 Ų | 78 | 131.7 Ų | 131.7 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | | | trans | 158.6 | 115.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 304 | Q | 28.3 | Very low | 30 | Very low | 195 Ų | 195 | 132.7 Ų | 132.7 | 91% | 0.911 | 78% | 0.775 | S | S | * | * | | | trans | -116 | 164.4 | -175 | -102.9 | -131.3 | -2.5 | 0 | 0 | 113.7 | | |
| 305 | P | 37.6 | Very low | 29.7 | Very low | 111 Ų | 111 | 132.1 Ų | 132.1 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | | | trans | -92.8 | 173.5 | -165.3 | 38.3 | -37.3 | 0 | 0 | 0 | 114.5 | | |
| 306 | S | 29.2 | Very low | 29.7 | Very low | 113 Ų | 113 | 131.3 Ų | 131.3 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | | | trans | -147.9 | 168.4 | 167 | -161.6 | 0 | 0 | 0 | 0 | 113.3 | | |
| 307 | Y | 27.2 | Very low | 29.7 | Very low | 216 Ų | 216 | 131 Ų | 131 | 85% | 0.847 | 78% | 0.778 | S | S | * | * | | | trans | -77.2 | -174.3 | -166.4 | -54.7 | -98.6 | 0 | 0 | 0 | 112.9 | | |
| 308 | R | 27.8 | Very low | 29.5 | Very low | 213 Ų | 213 | 127.5 Ų | 127.5 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | cis | -175.5 | 162.5 | 28.3 | -149.9 | -168.3 | -163.9 | -166.8 | 4.4 | 112.4 | | |
| 309 | T | 28.4 | Very low | 29.1 | Very low | 115 Ų | 115 | 127.8 Ų | 127.8 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | | | trans | 61.7 | 156.9 | 152.1 | 34.5 | 0 | 0 | 0 | 0 | 119.9 | | |
| 310 | S | 26.6 | Very low | 29 | Very low | 86 Ų | 86 | 125.1 Ų | 125.1 | 60% | 0.601 | 78% | 0.775 | S | S | * | * | | | cis | 178 | 172.7 | -31.7 | 51.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 311 | I | 29.7 | Very low | 28.7 | Very low | 145 Ų | 145 | 126.8 Ų | 126.8 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | | | trans | 74 | 117.4 | 164.8 | -56.4 | 154.1 | 0 | 0 | 0 | 113.5 | | |
| 312 | S | 25.6 | Very low | 29 | Very low | 99 Ų | 99 | 126.4 Ų | 126.4 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | | | cis | 82.2 | 155.4 | 32.6 | 89.4 | 0 | 0 | 0 | 0 | 114.9 | | |
| 313 | P | 34.4 | Very low | 29.3 | Very low | 115 Ų | 115 | 123 Ų | 123 | 75% | 0.747 | 77% | 0.766 | S | S | * | * | | | cis | -139.8 | -173.1 | -9.9 | 42.7 | -24.2 | 0 | 0 | 0 | 115.2 | | |
| 314 | S | 25.6 | Very low | 29.2 | Very low | 103 Ų | 103 | 126.4 Ų | 126.4 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | | | trans | 52.9 | 129.2 | 141.2 | -166.3 | 0 | 0 | 0 | 0 | 123.7 | | |
| 315 | C | 25.9 | Very low | 29.4 | Very low | 117 Ų | 117 | 125.6 Ų | 125.6 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | | | | 166.3 | 140.3 | 111 | -92 | 0 | 0 | 0 | 0 | 115.1 | | |
| 316 | A | 28 | Very low | 29 | Very low | 104 Ų | 104 | 126 Ų | 126 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | | | trans | 57.8 | 145 | 152.3 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 317 | A | 30.3 | Very low | 29.2 | Very low | 98 Ų | 98 | 126.9 Ų | 126.9 | 81% | 0.81 | 75% | 0.754 | S | S | * | * | | | cis | -164.3 | 144.5 | -16.4 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 318 | G | 27.5 | Very low | 29.4 | Very low | 73 Ų | 73 | 123 Ų | 123 | 75% | 0.753 | 75% | 0.746 | S | S | * | * | | | trans | 68.9 | 162.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 319 | S | 27.6 | Very low | 29.6 | Very low | 115 Ų | 115 | 119.6 Ų | 119.6 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | | | cis | 176.8 | 134.9 | -9.9 | 41 | 0 | 0 | 0 | 0 | 107.3 | | |
| 320 | V | 30.4 | Very low | 29.6 | Very low | 138 Ų | 138 | 118.9 Ų | 118.9 | 84% | 0.836 | 74% | 0.743 | S | S | * | * | | | cis | -136.7 | -157.1 | 3.4 | -157.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 321 | S | 26.9 | Very low | 29.9 | Very low | 102 Ų | 102 | 123 Ų | 123 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | | | trans | -141.6 | -147.9 | 166.9 | -46.6 | 0 | 0 | 0 | 0 | 106.3 | | |
| 322 | P | 37.2 | Very low | 30 | Very low | 108 Ų | 108 | 121.5 Ų | 121.5 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | | | cis | -117.5 | -178.7 | -40.8 | 27.4 | -4.4 | 0 | 0 | 0 | 109.7 | | |
| 323 | L | 30.3 | Very low | 30.5 | Very low | 140 Ų | 140 | 124.5 Ų | 124.5 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | | | | 166.7 | 148.9 | 83.5 | -90.5 | 133 | 0 | 0 | 0 | 103.9 | | |
| 324 | Q | 28 | Very low | 30.5 | Very low | 148 Ų | 148 | 125.7 Ų | 125.7 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | | | cis | 74.1 | 98.9 | 22.8 | -166.4 | 174.5 | -1.2 | 0 | 0 | 117.2 | D326 | Q324-D326 PolarHBondContact NE2-OD2 2.88Å; Q324-D326 VanDerWaalsContact NE2-OD2 3.09Å |
| 325 | E | 33.3 | Very low | 31.2 | Very low | 179 Ų | 179 | 130.4 Ų | 130.4 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | | | trans | -170.3 | 118.1 | 140 | -99.2 | 157.8 | -156.6 | 0 | 0 | 103.9 | | |
| 326 | D | 29 | Very low | 31.4 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 63% | 0.631 | 77% | 0.773 | S | S | * | * | | | | 83.5 | 152.2 | 53.6 | -76 | -55.7 | 0 | 0 | 0 | 113.8 | Q324 | Q324-D326 PolarHBondContact NE2-OD2 2.88Å; Q324-D326 VanDerWaalsContact NE2-OD2 3.09Å |
| 327 | V | 33.3 | Very low | 31.7 | Very low | 133 Ų | 133 | 134.9 Ų | 134.9 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | | | trans | 74.2 | 142.2 | 177.4 | -169.9 | 0 | 0 | 0 | 0 | 115.7 | | |
| 328 | I | 31.7 | Very low | 31.8 | Very low | 134 Ų | 134 | 134 Ų | 134 | 69% | 0.687 | 76% | 0.761 | S | S | * | * | | | cis | -179.6 | 171 | -41.5 | -101.1 | 161.1 | 0 | 0 | 0 | 106.2 | | |
| 329 | D | 32.1 | Very low | 31.7 | Very low | 141 Ų | 141 | 135.5 Ų | 135.5 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | | | trans | 61.7 | 108.5 | 175.7 | -59.3 | -23.7 | 0 | 0 | 0 | 116.5 | | |
| 330 | S | 28.2 | Very low | 31.9 | Very low | 100 Ų | 100 | 135.1 Ų | 135.1 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | | | | 74.2 | 103.7 | 59 | 84.6 | 0 | 0 | 0 | 0 | 115 | | |
| 331 | L | 33.2 | Very low | 31.8 | Very low | 174 Ų | 174 | 138 Ų | 138 | 91% | 0.911 | 76% | 0.763 | S | S | * | * | | | trans | -148.2 | 141.4 | 133.7 | -140.1 | 74.7 | 0 | 0 | 0 | 109.3 | | |
| 332 | T | 31.6 | Very low | 32 | Very low | 112 Ų | 112 | 142.8 Ų | 142.8 | 69% | 0.687 | 77% | 0.766 | S | S | * | * | | | trans | -86.6 | 153.9 | 172.1 | 45.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 333 | D | 36.1 | Very low | 31.5 | Very low | 163 Ų | 163 | 144.6 Ų | 144.6 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | | | trans | -150.7 | 144.8 | 134.9 | -100 | -29.3 | 0 | 0 | 0 | 108.5 | | |
| 334 | D | 35.3 | Very low | 31.5 | Very low | 139 Ų | 139 | 146.6 Ų | 146.6 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | | | trans | -94.1 | 151.1 | -169.1 | -59.9 | -74.7 | 0 | 0 | 0 | 113 | | |
| 335 | E | 38.6 | Very low | 31.6 | Very low | 203 Ų | 203 | 147.4 Ų | 147.4 | 95% | 0.949 | 78% | 0.778 | S | S | * | * | | | | -143.9 | 142.1 | 124.6 | -91.6 | -141.4 | 124.8 | 0 | 0 | 110.5 | | |
| 336 | E | 31.9 | Very low | 31.5 | Very low | 161 Ų | 161 | 147.7 Ų | 147.7 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | | | trans | -101.4 | -173.1 | -170.8 | -152.6 | -163.6 | 149.2 | 0 | 0 | 111.1 | | |
| 337 | M | 32.8 | Very low | 31.7 | Very low | 154 Ų | 154 | 147 Ų | 147 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | | | trans | 74.2 | 130.7 | 167.9 | -55.2 | -66.6 | 169.2 | 0 | 0 | 117 | | |
| 338 | A | 32.1 | Very low | 31.7 | Very low | 79 Ų | 79 | 146.5 Ų | 146.5 | 65% | 0.653 | 78% | 0.781 | S | S | * | * | | | cis | -153.8 | 141.2 | -10.4 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 339 | A | 27 | Very low | 31.8 | Very low | 104 Ų | 104 | 143.4 Ų | 143.4 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | | | trans | -70 | 132.3 | 164 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 340 | T | 31.8 | Very low | 31.9 | Very low | 107 Ų | 107 | 142.8 Ų | 142.8 | 66% | 0.656 | 76% | 0.762 | S | S | * | * | | | trans | -138.9 | 115.7 | 157.8 | 20.8 | 0 | 0 | 0 | 0 | 110.4 | R342 | T340-R342 PolarHBondContact O-N 3.42Š|
| 341 | E | 27.3 | Very low | 32.3 | Very low | 199 Ų | 199 | 144.7 Ų | 144.7 | 93% | 0.93 | 76% | 0.758 | S | S | * | * | | | trans | -56.7 | 132.1 | 159.4 | -62.2 | 167.2 | 112 | 0 | 0 | 108.8 | | |
| 342 | R | 30.3 | Very low | 32.7 | Very low | 203 Ų | 203 | 143.6 Ų | 143.6 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | | | trans | -135.9 | 113.5 | 164.1 | -77.2 | -165.6 | 169.3 | 132.7 | 4.6 | 110.3 | T340 H344 | T340-R342 PolarHBondContact O-N 3.42Å; R342-H344 PolarHBondContact O-N 3.39Å |
| 343 | D | 28.4 | Very low | 32.7 | Very low | 145 Ų | 145 | 141.2 Ų | 141.2 | 78% | 0.775 | 74% | 0.735 | S | S | * | * | | | trans | -53.3 | 102.7 | 169.6 | -68.4 | -61.3 | 0 | 0 | 0 | 110.6 | H345 | D343-H345 VanDerWaalsContact C-N 3.28Å; D343-H345 PolarHBondContact O-N 3.16Å |
| 344 | H | 29.7 | Very low | 32.9 | Very low | 183 Ų | 183 | 136.9 Ų | 136.9 | 85% | 0.847 | 72% | 0.722 | S | S | * | * | | | trans | -75.9 | 89.4 | 163.4 | -92.2 | -69.3 | 0 | 0 | 0 | 108.9 | R342 E346 | R342-H344 PolarHBondContact O-N 3.39Å; H344-E346 PolarHBondContact O-N 3Å |
| 345 | H | 29.6 | Very low | 32.9 | Very low | 165 Ų | 165 | 132.4 Ų | 132.4 | 76% | 0.764 | 70% | 0.704 | S | S | * | * | | | trans | -52.1 | 104.6 | 172.4 | -81.4 | -78.1 | 0 | 0 | 0 | 111.5 | D343 S347 | D343-H345 VanDerWaalsContact C-N 3.28Å; D343-H345 PolarHBondContact O-N 3.16Å; H345-S347 PolarHBondContact O-N 2.79Å |
| 346 | E | 31.1 | Very low | 32.8 | Very low | 184 Ų | 184 | 123.9 Ų | 123.9 | 86% | 0.86 | 67% | 0.668 | S | S | * | * | | | trans | -69.1 | 79.1 | 156.3 | -72.3 | -167.1 | 148.2 | 0 | 0 | 108.8 | H344 V348 | H344-E346 PolarHBondContact O-N 3Å; E346-V348 PolarHBondContact O-N 3.34Å |
| 347 | S | 33.3 | Very low | 33.3 | Very low | 105 Ų | 105 | 121.7 Ų | 121.7 | 73% | 0.734 | 66% | 0.656 | S | S | * | * | | | trans | -68.9 | 95.1 | 169.2 | 57.7 | 0 | 0 | 0 | 0 | 108.7 | H345 D349 | H345-S347 PolarHBondContact O-N 2.79Å; S347-D349 PolarHBondContact O-N 3.34Å |
| 348 | V | 32.9 | Very low | 33.6 | Very low | 121 Ų | 121 | 120.8 Ų | 120.8 | 73% | 0.733 | 65% | 0.65 | S | S | * | * | | | trans | -56.7 | 106.3 | 174.4 | 178.8 | 0 | 0 | 0 | 0 | 108.7 | E346 L350 | E346-V348 PolarHBondContact O-N 3.34Å; V348-L350 PolarHBondContact O-N 2.8Å |
| 349 | D | 33.9 | Very low | 33.9 | Very low | 70 Ų | 70 | 123.3 Ų | 123.3 | 37% | 0.374 | 64% | 0.644 | S | S | . | * | | | trans | -66.3 | 114 | -177.4 | 177.4 | 12.6 | 0 | 0 | 0 | 109.8 | S347 F351 Q352 | S347-D349 PolarHBondContact O-N 3.34Å; D349-F351 PolarHBondContact O-N 3.31Å; D349-F351 WeakPolarHBondContact OD1-CD2 3.41Å; D349-F351 PolarHBondContact OD1-N 2.85Å; D349-Q352 HydrophobicContact CB-CG 4.06Å; D349-Q352 PolarHBondContact O-N 2.77Å; D349-Q352 WeakPolarHBondContact OD2-CG 3.18Å; D349-Q352 PolarHBondContact OD2-NE2 3.09Å |
| 350 | L | 34.5 | Very low | 34.5 | Very low | 128 Ų | 128 | 122.8 Ų | 122.8 | 67% | 0.67 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -22.8 | -175.5 | -87.1 | 85.3 | 0 | 0 | 0 | 112.5 | V348 Q352 A356 | V348-L350 PolarHBondContact O-N 2.8Å; L350-Q352 PolarHBondContact O-N 2.93Å; L350-A356 WeakPolarHBondContact O-CB 3.29Å |
| 351 | F | 36.8 | Very low | 34.7 | Very low | 140 Ų | 140 | 126.3 Ų | 126.3 | 61% | 0.614 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -8.7 | 176.6 | -63.1 | -75.3 | 0 | 0 | 0 | 114 | D349 K357 | D349-F351 PolarHBondContact O-N 3.31Å; D349-F351 WeakPolarHBondContact OD1-CD2 3.41Å; D349-F351 PolarHBondContact OD1-N 2.85Å; F351-K357 WeakPolarHBondContact O-CE 3.33Å; F351-K357 PolarHBondContact O-NZ 2.79Å |
| 352 | Q | 41.5 | Very low | 35.3 | Very low | 151 Ų | 151 | 122.1 Ų | 122.1 | 71% | 0.706 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | -16.9 | 178.3 | -61.4 | -176.7 | 38.3 | 0 | 0 | 113.5 | D349 L350 A354 | D349-Q352 HydrophobicContact CB-CG 4.06Å; D349-Q352 PolarHBondContact O-N 2.77Å; D349-Q352 WeakPolarHBondContact OD2-CG 3.18Å; D349-Q352 PolarHBondContact OD2-NE2 3.09Å; L350-Q352 PolarHBondContact O-N 2.93Å; Q352-A354 PolarHBondContact O-N 2.8Å |
| 353 | C | 32.9 | Very low | 35.5 | Very low | 61 Ų | 61 | 117.6 Ų | 117.6 | 41% | 0.412 | 60% | 0.598 | S | S | . | * | | | trans | -72.8 | 119.8 | 174.6 | -176.7 | 0 | 0 | 0 | 0 | 110.7 | A355 A356 K357 | C353-A355 PolarHBondContact O-N 3.04Å; C353-A356 HydrophobicContact CB-CB 3.77Å; C353-A356 WeakPolarHBondContact O-CB 3.47Å; C353-A356 PolarHBondContact O-N 2.84Å; C353-A356 VanDerWaalsContact O-N 3.13Å; C353-K357 PolarHBondContact O-N 3Å; C353-K357 VanDerWaalsContact O-N 3.16Å |
| 354 | A | 38.8 | Very low | 35.8 | Very low | 73 Ų | 73 | 114 Ų | 114 | 60% | 0.603 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -58.5 | -46.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q352 A356 K357 E358 | Q352-A354 PolarHBondContact O-N 2.8Å; A354-A356 VanDerWaalsContact C-N 3.31Å; A354-A356 PolarHBondContact O-N 2.93Å; A354-K357 WeakPolarHBondContact O-CB 3.45Å; A354-K357 PolarHBondContact O-N 3.14Å; A354-K357 VanDerWaalsContact O-N 3.09Å; A354-E358 PolarHBondContact O-N 2.96Å |
| 355 | A | 36.1 | Very low | 35.8 | Very low | 44 Ų | 44 | 109.4 Ų | 109.4 | 36% | 0.364 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -60.7 | -39.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | C353 K357 E358 Y359 | C353-A355 PolarHBondContact O-N 3.04Å; A355-K357 VanDerWaalsContact C-N 3.25Å; A355-K357 PolarHBondContact O-N 3.22Å; A355-E358 PolarHBondContact O-N 3.29Å; A355-Y359 HydrophobicContact CB-CD2 4.49Å; A355-Y359 WeakPolarHBondContact O-CD2 3.22Å; A355-Y359 PolarHBondContact O-N 3.42Å |
| 356 | A | 36.6 | Very low | 35.9 | Very low | 24 Ų | 24 | 109 Ų | 109 | 20% | 0.198 | 57% | 0.572 | C | S | . | * | H | α-helix | trans | -63.9 | -31.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | L350 C353 A354 L360 | L350-A356 WeakPolarHBondContact O-CB 3.29Å; C353-A356 HydrophobicContact CB-CB 3.77Å; C353-A356 WeakPolarHBondContact O-CB 3.47Å; C353-A356 PolarHBondContact O-N 2.84Å; C353-A356 VanDerWaalsContact O-N 3.13Å; A354-A356 VanDerWaalsContact C-N 3.31Å; A354-A356 PolarHBondContact O-N 2.93Å; A356-L360 WeakPolarHBondContact O-CB 3.45Å; A356-L360 WeakPolarHBondContact O-CD1 3.41Å; A356-L360 WeakPolarHBondContact O-CG 3.43Å; A356-L360 PolarHBondContact O-N 3.41Å |
| 357 | K | 42.8 | Very low | 35.8 | Very low | 116 Ų | 116 | 111.1 Ų | 111.1 | 50% | 0.504 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -68.4 | -41.2 | 172.9 | -90 | 172.1 | 165.1 | 149.2 | 0 | 112.8 | F351 C353 A354 A355 Y361 | F351-K357 WeakPolarHBondContact O-CE 3.33Å; F351-K357 PolarHBondContact O-NZ 2.79Å; C353-K357 PolarHBondContact O-N 3Å; C353-K357 VanDerWaalsContact O-N 3.16Å; A354-K357 WeakPolarHBondContact O-CB 3.45Å; A354-K357 PolarHBondContact O-N 3.14Å; A354-K357 VanDerWaalsContact O-N 3.09Å; A355-K357 VanDerWaalsContact C-N 3.25Å; A355-K357 PolarHBondContact O-N 3.22Å; K357-Y361 WeakPolarHBondContact O-CD2 3.27Å; K357-Y361 PolarHBondContact O-N 3.47Å |
| 358 | E | 38.9 | Very low | 35.7 | Very low | 135 Ų | 135 | 117.5 Ų | 117.5 | 63% | 0.631 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.3 | -54.3 | 175 | -68.1 | 170.1 | 156.2 | 0 | 0 | 110.4 | A354 A355 L360 Y361 D362 | A354-E358 PolarHBondContact O-N 2.96Å; A355-E358 PolarHBondContact O-N 3.29Å; E358-L360 VanDerWaalsContact C-N 3.32Å; E358-L360 PolarHBondContact O-N 2.88Å; E358-Y361 PolarHBondContact O-N 2.92Å; E358-Y361 VanDerWaalsContact O-N 3.13Å; E358-D362 PolarHBondContact O-N 2.92Å; E358-D362 VanDerWaalsContact O-N 3.15Å |
| 359 | Y | 36.7 | Very low | 35.4 | Very low | 131 Ų | 131 | 123.1 Ų | 123.1 | 51% | 0.514 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -60.7 | -34.6 | 178.4 | -75.6 | -67.9 | 0 | 0 | 0 | 113.9 | A355 Y361 D362 F363 | A355-Y359 HydrophobicContact CB-CD2 4.49Å; A355-Y359 WeakPolarHBondContact O-CD2 3.22Å; A355-Y359 PolarHBondContact O-N 3.42Å; Y359-Y361 VanDerWaalsContact C-N 3.34Å; Y359-Y361 PolarHBondContact O-N 2.96Å; Y359-D362 PolarHBondContact O-N 3.27Å; Y359-F363 WeakPolarHBondContact O-CD2 3.4Å; Y359-F363 WeakPolarHBondContact O-CE2 3.48Å; Y359-F363 PolarHBondContact O-N 2.92Å |
| 360 | L | 40.8 | Very low | 35.3 | Very low | 94 Ų | 94 | 128.5 Ų | 128.5 | 49% | 0.492 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -67.6 | -31.4 | 177.7 | -82.5 | 168.2 | 0 | 0 | 0 | 113.1 | A356 E358 | A356-L360 WeakPolarHBondContact O-CB 3.45Å; A356-L360 WeakPolarHBondContact O-CD1 3.41Å; A356-L360 WeakPolarHBondContact O-CG 3.43Å; A356-L360 PolarHBondContact O-N 3.41Å; E358-L360 VanDerWaalsContact C-N 3.32Å; E358-L360 PolarHBondContact O-N 2.88Å |
| 361 | Y | 35.6 | Very low | 35 | Very low | 181 Ų | 181 | 134.2 Ų | 134.2 | 71% | 0.71 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -77.7 | -35.6 | 174.9 | -87.2 | -99.3 | 0 | 0 | 0 | 112 | K357 E358 Y359 F363 A364 | K357-Y361 WeakPolarHBondContact O-CD2 3.27Å; K357-Y361 PolarHBondContact O-N 3.47Å; E358-Y361 PolarHBondContact O-N 2.92Å; E358-Y361 VanDerWaalsContact O-N 3.13Å; Y359-Y361 VanDerWaalsContact C-N 3.34Å; Y359-Y361 PolarHBondContact O-N 2.96Å; Y361-F363 PolarHBondContact O-N 2.9Å; Y361-A364 WeakPolarHBondContact O-CB 3.42Å; Y361-A364 PolarHBondContact O-N 2.88Å |
| 362 | D | 41 | Very low | 35 | Very low | 110 Ų | 110 | 133.9 Ų | 133.9 | 59% | 0.588 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -65.1 | -19.3 | 174.4 | -76.6 | -20.9 | 0 | 0 | 0 | 114 | E358 Y359 P365 | E358-D362 PolarHBondContact O-N 2.92Å; E358-D362 VanDerWaalsContact O-N 3.15Å; Y359-D362 PolarHBondContact O-N 3.27Å; D362-P365 VanDerWaalsContact O-CD 3.29Å; D362-P365 WeakPolarHBondContact O-CD 3.45Å |
| 363 | F | 33.7 | Very low | 34.4 | Very low | 108 Ų | 108 | 130.5 Ų | 130.5 | 47% | 0.474 | 63% | 0.634 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.1 | -11.6 | 171.9 | -67.9 | -52.3 | 0 | 0 | 0 | 114.5 | Y359 Y361 P365 | Y359-F363 WeakPolarHBondContact O-CD2 3.4Å; Y359-F363 WeakPolarHBondContact O-CE2 3.48Å; Y359-F363 PolarHBondContact O-N 2.92Å; Y361-F363 PolarHBondContact O-N 2.9Å; F363-P365 VanDerWaalsContact C-CD 3.42Å |
| 364 | A | 33.9 | Very low | 34.2 | Very low | 70 Ų | 70 | 129.1 Ų | 129.1 | 58% | 0.579 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -61.9 | -32.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116 | Y361 F366 | Y361-A364 WeakPolarHBondContact O-CB 3.42Å; Y361-A364 PolarHBondContact O-N 2.88Å; A364-F366 VanDerWaalsContact C-N 3.3Å; A364-F366 PolarHBondContact O-N 3.05Å |
| 365 | P | 30.4 | Very low | 33.9 | Very low | 87 Ų | 87 | 131.5 Ų | 131.5 | 57% | 0.565 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -68.4 | -19.5 | -178.1 | -23.8 | 35.7 | 0 | 0 | 0 | 115.7 | D362 F363 Y367 R368 | D362-P365 VanDerWaalsContact O-CD 3.29Å; D362-P365 WeakPolarHBondContact O-CD 3.45Å; F363-P365 VanDerWaalsContact C-CD 3.42Å; P365-Y367 VanDerWaalsContact C-N 3.32Å; P365-Y367 PolarHBondContact O-N 3.46Å; P365-R368 PolarHBondContact O-N 3.48Å |
| 366 | F | 30.7 | Very low | 33.8 | Very low | 157 Ų | 157 | 139.4 Ų | 139.4 | 69% | 0.689 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -76 | -9.8 | -161.3 | -76.6 | -83.2 | 0 | 0 | 0 | 116 | A364 R368 | A364-F366 VanDerWaalsContact C-N 3.3Å; A364-F366 PolarHBondContact O-N 3.05Å; F366-R368 VanDerWaalsContact C-N 3.28Å; F366-R368 PolarHBondContact O-N 2.97Å |
| 367 | Y | 29.3 | Very low | 33.7 | Very low | 228 Ų | 228 | 145.8 Ų | 145.8 | 89% | 0.894 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -79.6 | 1 | 175.9 | -81.3 | -79.6 | 0 | 0 | 0 | 115 | P365 | P365-Y367 VanDerWaalsContact C-N 3.32Å; P365-Y367 PolarHBondContact O-N 3.46Å |
| 368 | R | 31.7 | Very low | 33.1 | Very low | 238 Ų | 238 | 147.3 Ų | 147.3 | 90% | 0.898 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -103.9 | 7.9 | 178.7 | -77.3 | -172.3 | 174.4 | 177.1 | 0.2 | 116 | P365 F366 | P365-R368 PolarHBondContact O-N 3.48Å; F366-R368 VanDerWaalsContact C-N 3.28Å; F366-R368 PolarHBondContact O-N 2.97Å |
| 369 | R | 27.5 | Very low | 32.8 | Very low | 239 Ų | 239 | 149 Ų | 149 | 90% | 0.902 | 70% | 0.703 | S | S | * | * | | | trans | -136.3 | 54.4 | -178.6 | -69.2 | -170.3 | 176.6 | -177.2 | 0.7 | 115.4 | | |
| 370 | Q | 31.1 | Very low | 32.5 | Very low | 183 Ų | 183 | 147.3 Ų | 147.3 | 86% | 0.855 | 71% | 0.711 | S | S | * | * | | | trans | -94.3 | 110.2 | 153.9 | -101.8 | -172.3 | -2.1 | 0 | 0 | 110.2 | I372 | Q370-I372 PolarHBondContact O-N 2.82Å; Q370-I372 VanDerWaalsContact O-N 3.13Å |
| 371 | R | 29.2 | Very low | 32 | Very low | 249 Ų | 249 | 150 Ų | 150 | 94% | 0.94 | 72% | 0.724 | S | S | * | * | | | trans | -68 | 103.3 | 170.8 | -76.4 | -179.8 | 169.2 | 179.8 | -3.8 | 109.5 | G373 | R371-G373 PolarHBondContact O-N 3.18Š|
| 372 | I | 35.5 | Very low | 31.8 | Very low | 132 Ų | 132 | 151.7 Ų | 151.7 | 68% | 0.677 | 73% | 0.73 | S | S | * | * | | | trans | -77.8 | 73.5 | 166 | -53.2 | -177.9 | 0 | 0 | 0 | 109 | Q370 G374 I375 | Q370-I372 PolarHBondContact O-N 2.82Å; Q370-I372 VanDerWaalsContact O-N 3.13Å; I372-G374 PolarHBondContact O-N 3.29Å; I372-I375 HydrophobicContact CG2-CG1 4.36Å |
| 373 | G | 28.4 | Very low | 31.4 | Very low | 81 Ų | 81 | 157.3 Ų | 157.3 | 84% | 0.835 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | 94.1 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109 | R371 | R371-G373 PolarHBondContact O-N 3.18Š|
| 374 | G | 29.5 | Very low | 31.3 | Very low | 32 Ų | 32 | 158.4 Ų | 158.4 | 33% | 0.33 | 76% | 0.76 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 174.6 | -2.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | I372 K376 Q377 | I372-G374 PolarHBondContact O-N 3.29Å; G374-K376 VanDerWaalsContact C-N 3.26Å; G374-K376 PolarHBondContact O-N 3.08Å; G374-Q377 PolarHBondContact O-N 2.74Å; G374-Q377 VanDerWaalsContact O-N 3.12Å |
| 375 | I | 31.5 | Very low | 31.4 | Very low | 123 Ų | 123 | 164.1 Ų | 164.1 | 63% | 0.631 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -69.1 | -19.6 | -171.3 | -66.3 | 179.3 | 0 | 0 | 0 | 113.7 | I372 Q377 F378 | I372-I375 HydrophobicContact CG2-CG1 4.36Å; I375-Q377 PolarHBondContact O-N 3.29Å; I375-F378 PolarHBondContact O-N 2.7Å |
| 376 | K | 34.7 | Very low | 31.6 | Very low | 209 Ų | 209 | 171.4 Ų | 171.4 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | G | 310 helix | trans | -61.2 | -4.7 | 169.5 | -79.3 | -167.4 | 175.1 | -176 | 0 | 114.7 | G374 | G374-K376 VanDerWaalsContact C-N 3.26Å; G374-K376 PolarHBondContact O-N 3.08Å |
| 377 | Q | 34.4 | Very low | 31.6 | Very low | 158 Ų | 158 | 168.8 Ų | 168.8 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | G | 310 helix | trans | -107 | -8.5 | 176.4 | -68.3 | -174.9 | -15.4 | 0 | 0 | 115.3 | G374 I375 | G374-Q377 PolarHBondContact O-N 2.74Å; G374-Q377 VanDerWaalsContact O-N 3.12Å; I375-Q377 PolarHBondContact O-N 3.29Å |
| 378 | F | 30.4 | Very low | 31.7 | Very low | 149 Ų | 149 | 164 Ų | 164 | 65% | 0.654 | 79% | 0.786 | S | S | * | * | G | 310 helix | trans | -95.3 | -9.9 | -169.8 | -88.5 | -85.4 | 0 | 0 | 0 | 116.7 | I375 S380 | I375-F378 PolarHBondContact O-N 2.7Å; F378-S380 PolarHBondContact O-N 2.92Å |
| 379 | L | 32.7 | Very low | 31.9 | Very low | 169 Ų | 169 | 158 Ų | 158 | 89% | 0.885 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -74.3 | 2 | 174.4 | -70.7 | 171.8 | 0 | 0 | 0 | 114.2 | | |
| 380 | S | 30.6 | Very low | 32.2 | Very low | 97 Ų | 97 | 152.8 Ų | 152.8 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -82.6 | -15.6 | -177.9 | -55.4 | 0 | 0 | 0 | 0 | 114.5 | F378 R382 | F378-S380 PolarHBondContact O-N 2.92Å; S380-R382 PolarHBondContact O-N 2.93Å |
| 381 | L | 29.2 | Very low | 32.3 | Very low | 150 Ų | 150 | 153.8 Ų | 153.8 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | | | trans | -77.9 | 64.5 | 179.6 | -76.5 | 170.9 | 0 | 0 | 0 | 112.1 | R383 | L381-R383 PolarHBondContact O-N 2.92Š|
| 382 | R | 33 | Very low | 32.4 | Very low | 217 Ų | 217 | 152.8 Ų | 152.8 | 82% | 0.819 | 77% | 0.772 | S | S | * | * | | | trans | -56.2 | 132.7 | 168 | -71.3 | 177.7 | 170.5 | 169.6 | -2.2 | 109.7 | S380 | S380-R382 PolarHBondContact O-N 2.93Š|
| 383 | R | 31.6 | Very low | 32.3 | Very low | 228 Ų | 228 | 150.6 Ų | 150.6 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | | | trans | -48.3 | 140.7 | 160.3 | -66.9 | 178.5 | 178.7 | 170.4 | -0.7 | 108.6 | L381 K385 | L381-R383 PolarHBondContact O-N 2.92Å; R383-K385 PolarHBondContact O-N 3.37Å |
| 384 | P | 31.1 | Very low | 32.5 | Very low | 130 Ų | 130 | 154.7 Ų | 154.7 | 84% | 0.844 | 77% | 0.771 | S | S | * | * | | | trans | -61.8 | 104.1 | -178.6 | 24.9 | -33.7 | 0 | 0 | 0 | 110.1 | R386 | P384-R386 PolarHBondContact O-N 2.91Š|
| 385 | K | 36.1 | Very low | 32.8 | Very low | 190 Ų | 190 | 162.1 Ų | 162.1 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | | | trans | -62.7 | 122.7 | 169.2 | -83.5 | -166.5 | 172 | -170.3 | 0 | 107.4 | R383 S387 | R383-K385 PolarHBondContact O-N 3.37Å; K385-S387 PolarHBondContact O-N 2.92Å |
| 386 | R | 34.4 | Very low | 32.8 | Very low | 240 Ų | 240 | 160.6 Ų | 160.6 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | | | trans | -49.5 | 124.9 | 159.6 | -77 | 177.8 | 167.4 | 171.3 | -5.8 | 107.6 | P384 P388 | P384-R386 PolarHBondContact O-N 2.91Å; R386-P388 VanDerWaalsContact O-CD 3.24Å; R386-P388 WeakPolarHBondContact O-CD 3.34Å |
| 387 | S | 31.3 | Very low | 32.5 | Very low | 102 Ų | 102 | 158.8 Ų | 158.8 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | | | trans | -73.5 | 113.9 | 178.6 | 47.9 | 0 | 0 | 0 | 0 | 110.4 | K385 | K385-S387 PolarHBondContact O-N 2.92Š|
| 388 | P | 31.7 | Very low | 32.2 | Very low | 127 Ų | 127 | 161.8 Ų | 161.8 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | | | trans | -95.2 | 98.6 | 172.6 | 32.2 | -18 | 0 | 0 | 0 | 108.3 | R386 | R386-P388 VanDerWaalsContact O-CD 3.24Å; R386-P388 WeakPolarHBondContact O-CD 3.34Å |
| 389 | T | 35.2 | Very low | 32.1 | Very low | 112 Ų | 112 | 160.9 Ų | 160.9 | 69% | 0.687 | 80% | 0.802 | S | S | * | * | | | trans | -133.7 | 134.5 | 176.7 | 27.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 390 | T | 33.6 | Very low | 32.1 | Very low | 130 Ų | 130 | 156.9 Ų | 156.9 | 80% | 0.798 | 79% | 0.788 | S | S | * | * | | | trans | 54 | 83.5 | 164.3 | 52.6 | 0 | 0 | 0 | 0 | 117.3 | | |
| 391 | Q | 34.1 | Very low | 31.9 | Very low | 204 Ų | 204 | 161.4 Ų | 161.4 | 95% | 0.953 | 80% | 0.796 | S | S | * | * | | | | -126.6 | 149 | 104.8 | -78.7 | -161.7 | -14 | 0 | 0 | 109.6 | | |
| 392 | R | 30.5 | Very low | 31.9 | Very low | 228 Ų | 228 | 160.4 Ų | 160.4 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | | | trans | -144.4 | 104.6 | -165.2 | -171.2 | -169.7 | -164.1 | -175.8 | 5.8 | 109.8 | | |
| 393 | A | 34.3 | Very low | 31.8 | Very low | 87 Ų | 87 | 157.1 Ų | 157.1 | 72% | 0.719 | 79% | 0.79 | S | S | * | * | | | trans | -155.4 | 126.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 105.9 | | |
| 394 | H | 31.7 | Very low | 31.9 | Very low | 166 Ų | 166 | 150.2 Ų | 150.2 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | | | | 50.8 | 107 | 61.8 | -61.3 | -76.9 | 0 | 0 | 0 | 109.7 | | |
| 395 | K | 36 | Very low | 32 | Very low | 189 Ų | 189 | 151.4 Ų | 151.4 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | | | | -154.2 | 130 | 51.1 | -93.6 | 174.4 | -178.7 | 179.9 | 0 | 109.9 | | |
| 396 | S | 33.2 | Very low | 31.9 | Very low | 90 Ų | 90 | 148.9 Ų | 148.9 | 63% | 0.629 | 78% | 0.777 | S | S | * | * | | | | 71.2 | 116.5 | 91.2 | 78.5 | 0 | 0 | 0 | 0 | 115 | | |
| 397 | E | 28.1 | Very low | 31.8 | Very low | 171 Ų | 171 | 142.6 Ų | 142.6 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | | | trans | 23.6 | 127.6 | 141.5 | -63.6 | 147.9 | 155.5 | 0 | 0 | 119.1 | | |
| 398 | Y | 27.7 | Very low | 31.7 | Very low | 221 Ų | 221 | 143.3 Ų | 143.3 | 87% | 0.867 | 77% | 0.769 | S | S | * | * | | | trans | -132.1 | 115.1 | 145.8 | -136.8 | -90.8 | 0 | 0 | 0 | 110.5 | | |
| 399 | T | 28.1 | Very low | 31.8 | Very low | 131 Ų | 131 | 142.8 Ų | 142.8 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | | | trans | -110 | 107.9 | 176.1 | 48.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 400 | S | 31.8 | Very low | 31.6 | Very low | 84 Ų | 84 | 145.6 Ų | 145.6 | 59% | 0.587 | 76% | 0.757 | S | S | * | * | | | trans | -161.8 | 117.9 | 161.4 | 48.2 | 0 | 0 | 0 | 0 | 107.3 | | |
| 401 | F | 27.2 | Very low | 31.5 | Very low | 192 Ų | 192 | 150.2 Ų | 150.2 | 84% | 0.842 | 76% | 0.76 | S | S | * | * | | | | 58.6 | 100.9 | 79.2 | -86.8 | -79.6 | 0 | 0 | 0 | 113.4 | | |
| 402 | N | 28.3 | Very low | 31.4 | Very low | 130 Ų | 130 | 145.3 Ų | 145.3 | 70% | 0.695 | 75% | 0.749 | S | S | * | * | | | trans | 57 | 145.3 | 146.9 | -66 | 18.5 | 0 | 0 | 0 | 122.5 | | |
| 403 | D | 32.8 | Very low | 31.7 | Very low | 147 Ų | 147 | 143.2 Ų | 143.2 | 79% | 0.786 | 75% | 0.746 | S | S | * | * | | | trans | 74.1 | 138.6 | 152.2 | -54.7 | -31.5 | 0 | 0 | 0 | 121.5 | | |
| 404 | A | 33.7 | Very low | 31.7 | Very low | 83 Ų | 83 | 146.7 Ų | 146.7 | 69% | 0.686 | 75% | 0.747 | S | S | * | * | | | trans | 59.6 | 100.9 | 155.7 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 405 | D | 31.7 | Very low | 31.7 | Very low | 156 Ų | 156 | 147.8 Ų | 147.8 | 83% | 0.834 | 75% | 0.75 | S | S | * | * | | | | 69.7 | 160.3 | 121.4 | -60.4 | -35 | 0 | 0 | 0 | 123.7 | | |
| 406 | D | 34.1 | Very low | 31.7 | Very low | 137 Ų | 137 | 149 Ų | 149 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | | | trans | 61.7 | 91.4 | 163.2 | -85.6 | -41 | 0 | 0 | 0 | 123.3 | | |
| 407 | T | 33.2 | Very low | 31.6 | Very low | 108 Ų | 108 | 153.8 Ų | 153.8 | 66% | 0.663 | 77% | 0.767 | S | S | * | * | | | | 50.6 | 120.7 | 112.4 | 66.6 | 0 | 0 | 0 | 0 | 122.1 | | |
| 408 | C | 27.7 | Very low | 32.1 | Very low | 117 Ų | 117 | 150.8 Ų | 150.8 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | | | | 80.9 | 149.6 | 128.3 | -70.9 | 0 | 0 | 0 | 0 | 123.1 | | |
| 409 | D | 33.8 | Very low | 32.4 | Very low | 115 Ų | 115 | 146.1 Ų | 146.1 | 62% | 0.615 | 76% | 0.759 | S | S | * | * | | | trans | 68.6 | 102.9 | 147.3 | -96.4 | 17.5 | 0 | 0 | 0 | 122.1 | | |
| 410 | R | 31.7 | Very low | 32.6 | Very low | 172 Ų | 172 | 149.2 Ų | 149.2 | 65% | 0.649 | 77% | 0.765 | S | S | * | * | | | | 58.8 | 114.1 | 100.2 | -179.4 | -162.3 | -166.2 | -179.8 | 6 | 117.2 | | |
| 411 | W | 31.8 | Very low | 32.7 | Very low | 226 Ų | 226 | 149 Ų | 149 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | | | | -159.6 | 139.4 | 106.9 | -101.7 | -58.7 | 0 | 0 | 0 | 114.2 | | |
| 412 | S | 31.5 | Very low | 32.9 | Very low | 102 Ų | 102 | 146 Ų | 146 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | | | trans | -87.8 | 157.3 | 162.6 | 48 | 0 | 0 | 0 | 0 | 110.6 | | |
| 413 | K | 37.1 | Very low | 32.9 | Very low | 184 Ų | 184 | 147.1 Ų | 147.1 | 80% | 0.8 | 77% | 0.769 | S | S | * | * | | | trans | -162.9 | 149.4 | 153.9 | -112.2 | 163.6 | -171.4 | 173.6 | 0 | 114.5 | | |
| 414 | E | 34.5 | Very low | 32.8 | Very low | 160 Ų | 160 | 146.4 Ų | 146.4 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | | | trans | 62.3 | 109.1 | 157.6 | -58.4 | -173.2 | 131.8 | 0 | 0 | 119 | | |
| 415 | K | 32.2 | Very low | 32.5 | Very low | 189 Ų | 189 | 152.4 Ų | 152.4 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | | | cis | 93.1 | 110.4 | 47.7 | -80.6 | -175.3 | 179 | -177.6 | 0 | 112.8 | | |
| 416 | K | 36.5 | Very low | 32.6 | Very low | 215 Ų | 215 | 151.4 Ų | 151.4 | 94% | 0.935 | 78% | 0.78 | S | S | * | * | | | | -159.4 | 132.5 | 125.9 | -108.1 | 163.4 | -175 | 174.8 | 0 | 109.3 | | |
| 417 | E | 30.8 | Very low | 32.5 | Very low | 190 Ų | 190 | 149.8 Ų | 149.8 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | | | trans | -110.4 | 174.6 | -172.4 | -105.2 | -170.3 | 142.7 | 0 | 0 | 111.4 | | |
| 418 | P | 38.3 | Very low | 32.5 | Very low | 107 Ų | 107 | 153.2 Ų | 153.2 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | | | trans | -93.5 | -166.9 | -160.4 | 40.3 | -39.6 | 0 | 0 | 0 | 113.3 | | |
| 419 | P | 34.3 | Very low | 32.8 | Very low | 124 Ų | 124 | 151 Ų | 151 | 81% | 0.805 | 77% | 0.767 | S | S | * | * | | | trans | -120.6 | 164.6 | 139.2 | 37.2 | -31 | 0 | 0 | 0 | 113.2 | | |
| 420 | E | 32.5 | Very low | 33 | Very low | 196 Ų | 196 | 150.7 Ų | 150.7 | 92% | 0.916 | 76% | 0.764 | S | S | * | * | | | trans | -82.2 | 162.1 | -172 | -57.7 | 165.3 | 121.6 | 0 | 0 | 113.3 | | |
| 421 | G | 32.6 | Very low | 33.1 | Very low | 79 Ų | 79 | 145.7 Ų | 145.7 | 81% | 0.814 | 76% | 0.759 | S | S | * | * | | | trans | -156.8 | 36.9 | -167.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 422 | N | 30.9 | Very low | 33.7 | Very low | 129 Ų | 129 | 139.1 Ų | 139.1 | 69% | 0.69 | 74% | 0.741 | S | S | * | * | | | trans | 10.9 | 122 | 163.4 | -85 | -24.4 | 0 | 0 | 0 | 122.2 | | |
| 423 | H | 28.3 | Very low | 34 | Very low | 154 Ų | 154 | 137.3 Ų | 137.3 | 71% | 0.713 | 73% | 0.728 | S | S | * | * | | | trans | 93.2 | 155.7 | 135.8 | -57.2 | -23.8 | 0 | 0 | 0 | 122.3 | | |
| 424 | T | 31.2 | Very low | 34.2 | Very low | 131 Ų | 131 | 133 Ų | 133 | 80% | 0.804 | 71% | 0.712 | S | S | * | * | | | trans | 64.1 | 121.2 | 172.9 | 64.4 | 0 | 0 | 0 | 0 | 119.6 | T426 | T424-T426 PolarHBondContact O-N 3.2Š|
| 425 | K | 29 | Very low | 34.4 | Very low | 209 Ų | 209 | 132 Ų | 132 | 91% | 0.909 | 71% | 0.706 | S | S | * | * | | | trans | -69.6 | 111 | 165.8 | -64.2 | 172.3 | -179.8 | 174.7 | 0 | 108.7 | S427 | K425-S427 PolarHBondContact O-N 3.2Å; K425-S427 VanDerWaalsContact O-N 3.11Å |
| 426 | T | 32 | Very low | 34.7 | Very low | 135 Ų | 135 | 126.5 Ų | 126.5 | 83% | 0.828 | 69% | 0.69 | S | S | * | * | | | trans | -72.5 | 100 | 165.1 | 44.8 | 0 | 0 | 0 | 0 | 109.1 | T424 | T424-T426 PolarHBondContact O-N 3.2Š|
| 427 | S | 33.7 | Very low | 34.7 | Very low | 104 Ų | 104 | 123.3 Ų | 123.3 | 73% | 0.727 | 68% | 0.677 | S | S | * | * | | | trans | -59 | 146.3 | 164.6 | 43.9 | 0 | 0 | 0 | 0 | 109.6 | K425 D429 | K425-S427 PolarHBondContact O-N 3.2Å; K425-S427 VanDerWaalsContact O-N 3.11Å; S427-D429 VanDerWaalsContact C-N 3.31Å; S427-D429 PolarHBondContact O-N 3.38Å |
| 428 | F | 32.1 | Very low | 35.2 | Very low | 179 Ų | 179 | 118.7 Ų | 118.7 | 79% | 0.785 | 66% | 0.657 | S | S | * | * | | | trans | -72.2 | 88.5 | 177.9 | -169 | -91.9 | 0 | 0 | 0 | 109.3 | I430 | F428-I430 HydrophobicContact CD1-CG1 4.2Å; F428-I430 PolarHBondContact O-N 2.7Å |
| 429 | D | 33.4 | Very low | 35.3 | Very low | 72 Ų | 72 | 121.8 Ų | 121.8 | 39% | 0.385 | 66% | 0.66 | S | S | . | * | | | trans | -73 | 93.5 | -172.9 | -178.6 | 12 | 0 | 0 | 0 | 112 | S427 A431 N432 S433 | S427-D429 VanDerWaalsContact C-N 3.31Å; S427-D429 PolarHBondContact O-N 3.38Å; D429-A431 PolarHBondContact O-N 2.78Å; D429-A431 WeakPolarHBondContact OD1-CA 3.46Å; D429-A431 VanDerWaalsContact OD1-CB 3.25Å; D429-A431 WeakPolarHBondContact OD1-CB 3.46Å; D429-A431 PolarHBondContact OD1-N 3.14Å; D429-N432 HydrophobicContact CB-CB 4.4Å; D429-N432 PolarHBondContact O-N 2.9Å; D429-N432 PolarHBondContact OD1-N 3.14Å; D429-N432 WeakPolarHBondContact OD2-CB 3.4Å; D429-N432 PolarHBondContact OD2-N 3.18Å; D429-N432 PolarHBondContact OD2-ND2 2.88Å; D429-S433 PolarHBondContact O-N 2.85Å |
| 430 | I | 39.6 | Very low | 35.5 | Very low | 108 Ų | 108 | 124.4 Ų | 124.4 | 55% | 0.554 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -55.5 | -34.2 | 174.3 | -63.7 | 173.3 | 0 | 0 | 0 | 110.9 | F428 S433 I434 | F428-I430 HydrophobicContact CD1-CG1 4.2Å; F428-I430 PolarHBondContact O-N 2.7Å; I430-S433 PolarHBondContact O-N 3.32Å; I430-I434 HydrophobicContact CG2-CD1 3.61Å; I430-I434 HydrophobicContact CG2-CG1 4.12Å; I430-I434 WeakPolarHBondContact O-CB 3.45Å; I430-I434 VanDerWaalsContact O-CG1 3.32Å; I430-I434 WeakPolarHBondContact O-CG1 3.23Å; I430-I434 PolarHBondContact O-N 3.08Å |
| 431 | A | 33.6 | Very low | 35.7 | Very low | 66 Ų | 66 | 118.6 Ų | 118.6 | 55% | 0.545 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -67.4 | -44.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | D429 K435 | D429-A431 PolarHBondContact O-N 2.78Å; D429-A431 WeakPolarHBondContact OD1-CA 3.46Å; D429-A431 VanDerWaalsContact OD1-CB 3.25Å; D429-A431 WeakPolarHBondContact OD1-CB 3.46Å; D429-A431 PolarHBondContact OD1-N 3.14Å; A431-K435 WeakPolarHBondContact O-CB 3.47Å; A431-K435 PolarHBondContact O-N 3.33Å |
| 432 | N | 43 | Very low | 35.6 | Very low | 89 Ų | 89 | 123 Ų | 123 | 48% | 0.476 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -68.2 | -32.7 | 172.9 | -91.5 | -55.3 | 0 | 0 | 0 | 112.9 | D429 K435 C436 | D429-N432 HydrophobicContact CB-CB 4.4Å; D429-N432 PolarHBondContact O-N 2.9Å; D429-N432 PolarHBondContact OD1-N 3.14Å; D429-N432 WeakPolarHBondContact OD2-CB 3.4Å; D429-N432 PolarHBondContact OD2-N 3.18Å; D429-N432 PolarHBondContact OD2-ND2 2.88Å; N432-K435 PolarHBondContact O-N 2.97Å; N432-C436 WeakPolarHBondContact O-CB 3.46Å; N432-C436 PolarHBondContact O-N 3.16Å; N432-C436 PolarHBondContact O-SG 2.92Å |
| 433 | S | 39.3 | Very low | 35.3 | Very low | 64 Ų | 64 | 120.8 Ų | 120.8 | 45% | 0.448 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -64.5 | -48.7 | 174 | -163.4 | 0 | 0 | 0 | 0 | 111.9 | D429 I430 K435 C436 F437 | D429-S433 PolarHBondContact O-N 2.85Å; I430-S433 PolarHBondContact O-N 3.32Å; S433-K435 PolarHBondContact O-N 3.44Å; S433-C436 PolarHBondContact O-N 3.16Å; S433-F437 PolarHBondContact O-N 3.17Å |
| 434 | I | 40.3 | Very low | 35.3 | Very low | 92 Ų | 92 | 122.9 Ų | 122.9 | 47% | 0.472 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -62.5 | -41.6 | 174.5 | -69.4 | 173.6 | 0 | 0 | 0 | 111.1 | I430 C436 F437 L438 | I430-I434 HydrophobicContact CG2-CD1 3.61Å; I430-I434 HydrophobicContact CG2-CG1 4.12Å; I430-I434 WeakPolarHBondContact O-CB 3.45Å; I430-I434 VanDerWaalsContact O-CG1 3.32Å; I430-I434 WeakPolarHBondContact O-CG1 3.23Å; I430-I434 PolarHBondContact O-N 3.08Å; I434-C436 VanDerWaalsContact C-N 3.3Å; I434-C436 PolarHBondContact O-N 3.19Å; I434-F437 WeakPolarHBondContact O-CB 3.43Å; I434-F437 PolarHBondContact O-N 3.3Å; I434-F437 VanDerWaalsContact O-N 3.08Å; I434-L438 HydrophobicContact CG2-CD1 3.87Å; I434-L438 HydrophobicContact CG2-CG 4.28Å; I434-L438 WeakPolarHBondContact O-CG 3.43Å; I434-L438 PolarHBondContact O-N 2.85Å |
| 435 | K | 39.1 | Very low | 35.2 | Very low | 141 Ų | 141 | 126.7 Ų | 126.7 | 61% | 0.613 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -62.8 | -36.3 | 176.3 | -164.9 | 173 | -171.1 | 175.2 | 0 | 111.9 | A431 N432 S433 K439 | A431-K435 WeakPolarHBondContact O-CB 3.47Å; A431-K435 PolarHBondContact O-N 3.33Å; N432-K435 PolarHBondContact O-N 2.97Å; S433-K435 PolarHBondContact O-N 3.44Å; K435-K439 WeakPolarHBondContact O-CB 3.43Å; K435-K439 PolarHBondContact O-N 3.33Å; K435-K439 VanDerWaalsContact O-N 3.1Å |
| 436 | C | 37.7 | Very low | 35 | Very low | 72 Ų | 72 | 122.9 Ų | 122.9 | 49% | 0.486 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -71.6 | -33.6 | 170.9 | -70 | 0 | 0 | 0 | 0 | 113 | N432 S433 I434 K440 | N432-C436 WeakPolarHBondContact O-CB 3.46Å; N432-C436 PolarHBondContact O-N 3.16Å; N432-C436 PolarHBondContact O-SG 2.92Å; S433-C436 PolarHBondContact O-N 3.16Å; I434-C436 VanDerWaalsContact C-N 3.3Å; I434-C436 PolarHBondContact O-N 3.19Å; C436-K440 WeakPolarHBondContact O-CB 3.46Å; C436-K440 WeakPolarHBondContact O-CG 3.31Å; C436-K440 PolarHBondContact O-N 2.82Å; C436-K440 VanDerWaalsContact O-N 3.16Å |
| 437 | F | 37.5 | Very low | 34.8 | Very low | 149 Ų | 149 | 121.3 Ų | 121.3 | 65% | 0.654 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -68 | -53.2 | 176.2 | -151.7 | -90.6 | 0 | 0 | 0 | 110.8 | S433 I434 K439 K440 S441 | S433-F437 PolarHBondContact O-N 3.17Å; I434-F437 WeakPolarHBondContact O-CB 3.43Å; I434-F437 PolarHBondContact O-N 3.3Å; I434-F437 VanDerWaalsContact O-N 3.08Å; F437-K439 VanDerWaalsContact C-N 3.32Å; F437-K439 PolarHBondContact O-N 3.1Å; F437-K440 CarbonylContact O-C 3.56Å; F437-K440 WeakPolarHBondContact O-CA 3.23Å; F437-K440 WeakPolarHBondContact O-CB 3.43Å; F437-K440 PolarHBondContact O-N 2.87Å; F437-S441 PolarHBondContact O-N 3.22Å; F437-S441 PolarHBondContact O-OG 2.8Å |
| 438 | L | 40 | Very low | 34.5 | Very low | 93 Ų | 93 | 121.9 Ų | 121.9 | 49% | 0.487 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -58.6 | -40.3 | 176.3 | -70 | 171.5 | 0 | 0 | 0 | 112.3 | I434 K440 S441 F442 | I434-L438 HydrophobicContact CG2-CD1 3.87Å; I434-L438 HydrophobicContact CG2-CG 4.28Å; I434-L438 WeakPolarHBondContact O-CG 3.43Å; I434-L438 PolarHBondContact O-N 2.85Å; L438-K440 PolarHBondContact O-N 3.08Å; L438-S441 PolarHBondContact O-N 3.48Å; L438-F442 HydrophobicContact CD2-CD2 4.47Å; L438-F442 HydrophobicContact CD2-CE2 4.28Å; L438-F442 PolarHBondContact O-N 3.02Å |
| 439 | K | 41.9 | Very low | 34.3 | Very low | 172 Ų | 172 | 119 Ų | 119 | 75% | 0.748 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -71 | -14.5 | 176 | -166.2 | 170.5 | -178 | 179.3 | 0 | 113.9 | K435 F437 | K435-K439 WeakPolarHBondContact O-CB 3.43Å; K435-K439 PolarHBondContact O-N 3.33Å; K435-K439 VanDerWaalsContact O-N 3.1Å; F437-K439 VanDerWaalsContact C-N 3.32Å; F437-K439 PolarHBondContact O-N 3.1Å |
| 440 | K | 37.4 | Very low | 34.1 | Very low | 178 Ų | 178 | 121.5 Ų | 121.5 | 77% | 0.774 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -91.9 | -35.9 | 168.6 | -76.3 | 175.8 | 177.8 | 179.4 | 0 | 112.4 | C436 F437 L438 | C436-K440 WeakPolarHBondContact O-CB 3.46Å; C436-K440 WeakPolarHBondContact O-CG 3.31Å; C436-K440 PolarHBondContact O-N 2.82Å; C436-K440 VanDerWaalsContact O-N 3.16Å; F437-K440 CarbonylContact O-C 3.56Å; F437-K440 WeakPolarHBondContact O-CA 3.23Å; F437-K440 WeakPolarHBondContact O-CB 3.43Å; F437-K440 PolarHBondContact O-N 2.87Å; L438-K440 PolarHBondContact O-N 3.08Å |
| 441 | S | 36.2 | Very low | 33.6 | Very low | 74 Ų | 74 | 123.1 Ų | 123.1 | 52% | 0.517 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -72 | -32.4 | 177.7 | -58.7 | 0 | 0 | 0 | 0 | 113.2 | F437 L438 | F437-S441 PolarHBondContact O-N 3.22Å; F437-S441 PolarHBondContact O-OG 2.8Å; L438-S441 PolarHBondContact O-N 3.48Å |
| 442 | F | 30.6 | Very low | 33.3 | Very low | 173 Ų | 173 | 130.9 Ų | 130.9 | 76% | 0.759 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -107.3 | 66.9 | 178.8 | -71.5 | -82.2 | 0 | 0 | 0 | 112.2 | L438 | L438-F442 HydrophobicContact CD2-CD2 4.47Å; L438-F442 HydrophobicContact CD2-CE2 4.28Å; L438-F442 PolarHBondContact O-N 3.02Å |
| 443 | S | 25.5 | Very low | 32.6 | Very low | 81 Ų | 81 | 135.7 Ų | 135.7 | 57% | 0.566 | 71% | 0.706 | S | S | * | * | | | trans | -155.5 | 78.1 | 170.8 | -169.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 444 | F | 28.3 | Very low | 32.2 | Very low | 199 Ų | 199 | 138.1 Ų | 138.1 | 87% | 0.873 | 72% | 0.72 | S | S | * | * | | | trans | -144.6 | 97.3 | 154.9 | -95.2 | -68.5 | 0 | 0 | 0 | 113.4 | | |
| 445 | R | 29.4 | Very low | 31.6 | Very low | 210 Ų | 210 | 138.9 Ų | 138.9 | 79% | 0.792 | 73% | 0.733 | S | S | * | * | | | trans | 29.2 | 114.3 | 134.5 | -63.7 | -179.3 | 167.3 | -144.7 | -4.8 | 118.4 | S447 | R445-S447 PolarHBondContact O-N 3.09Š|
| 446 | S | 23.4 | Very low | 31.2 | Very low | 130 Ų | 130 | 141.6 Ų | 141.6 | 91% | 0.909 | 75% | 0.748 | S | S | * | * | | | trans | -48.7 | 125.8 | 147.1 | -41.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 447 | S | 29.2 | Very low | 31 | Very low | 101 Ų | 101 | 147 Ų | 147 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | | | trans | -147.6 | 121.8 | 172.7 | -62 | 0 | 0 | 0 | 0 | 109 | R445 | R445-S447 PolarHBondContact O-N 3.09Š|
| 448 | S | 26.1 | Very low | 30.6 | Very low | 117 Ų | 117 | 146.3 Ų | 146.3 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | trans | -78.8 | 137.8 | -178 | 53 | 0 | 0 | 0 | 0 | 112.4 | | |
| 449 | S | 29.6 | Very low | 30.2 | Very low | 119 Ų | 119 | 146.6 Ų | 146.6 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | | | trans | -109.3 | 123.7 | 157.6 | 49.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 450 | V | 28.5 | Very low | 29.6 | Very low | 123 Ų | 123 | 144.8 Ų | 144.8 | 75% | 0.745 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 131 | -178.6 | 173 | 0 | 0 | 0 | 0 | 109.7 | R452 | V450-R452 HydrophobicContact CG1-CG 4.41Š|
| 451 | V | 29.4 | Very low | 29.2 | Very low | 142 Ų | 142 | 141.1 Ų | 141.1 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 121.1 | 159.9 | 179.8 | 0 | 0 | 0 | 0 | 107.8 | | |
| 452 | R | 26.5 | Very low | 29 | Very low | 230 Ų | 230 | 143.8 Ų | 143.8 | 87% | 0.868 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 132.5 | 177.9 | -71.7 | 174.2 | 167.2 | 175.1 | -5.5 | 110.6 | V450 | V450-R452 HydrophobicContact CG1-CG 4.41Š|
| 453 | Q | 29.4 | Very low | 29 | Very low | 190 Ų | 190 | 145.6 Ų | 145.6 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | | | trans | -142.6 | 163.3 | 145 | -99.9 | -165 | -16.9 | 0 | 0 | 109.5 | | |
| 454 | P | 29.6 | Very low | 29.2 | Very low | 115 Ų | 115 | 151.5 Ų | 151.5 | 75% | 0.747 | 81% | 0.811 | S | S | * | * | | | trans | -93.7 | 141.9 | -135.1 | 33.3 | -37.2 | 0 | 0 | 0 | 117 | | |
| 455 | S | 27.4 | Very low | 29.2 | Very low | 107 Ų | 107 | 151.7 Ų | 151.7 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | | | trans | 8.6 | 107.2 | 141.5 | 173.6 | 0 | 0 | 0 | 0 | 118.4 | | |
| 456 | Q | 31.8 | Very low | 29.2 | Very low | 199 Ų | 199 | 148.5 Ų | 148.5 | 93% | 0.93 | 80% | 0.804 | S | S | * | * | | | | -134 | 170.6 | 125.7 | -124.6 | 175.1 | 2.8 | 0 | 0 | 110.4 | | |
| 457 | K | 32.4 | Very low | 29.5 | Very low | 184 Ų | 184 | 149.1 Ų | 149.1 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | | | trans | -118.3 | 156.7 | -149.7 | -102.9 | -175.8 | 178.9 | -179.4 | 0 | 114.1 | | |
| 458 | V | 31.1 | Very low | 29.6 | Very low | 135 Ų | 135 | 149.4 Ų | 149.4 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | trans | 79.6 | 147.3 | 149.8 | 159.9 | 0 | 0 | 0 | 0 | 116.8 | | |
| 459 | P | 31 | Very low | 29.9 | Very low | 100 Ų | 100 | 150.8 Ų | 150.8 | 65% | 0.649 | 79% | 0.792 | S | S | * | * | | | trans | -134.2 | -177.5 | -146.8 | 40 | -19.7 | 0 | 0 | 0 | 116.2 | | |
| 460 | T | 28.2 | Very low | 30 | Very low | 134 Ų | 134 | 151 Ų | 151 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | | | trans | 41.8 | 109.2 | 150.6 | 51.4 | 0 | 0 | 0 | 0 | 119.7 | | |
| 461 | A | 30.7 | Very low | 30.2 | Very low | 100 Ų | 100 | 151.9 Ų | 151.9 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | | | trans | -155.1 | 159.3 | 139.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 462 | D | 31.7 | Very low | 30.5 | Very low | 130 Ų | 130 | 152.5 Ų | 152.5 | 70% | 0.695 | 77% | 0.771 | S | S | * | * | | | trans | -25.1 | 156.1 | 176.1 | -80.2 | -86.8 | 0 | 0 | 0 | 125.6 | | |
| 463 | R | 29.2 | Very low | 30.7 | Very low | 211 Ų | 211 | 147.4 Ų | 147.4 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | | | trans | 30.4 | 125.2 | 134.5 | -61.2 | 165.6 | 159.4 | 173.5 | -8.2 | 120.8 | | |
| 464 | F | 31 | Very low | 30.7 | Very low | 206 Ų | 206 | 142.5 Ų | 142.5 | 90% | 0.904 | 76% | 0.757 | S | S | * | * | | | | 170.4 | 120 | 127.2 | -82.7 | -62.8 | 0 | 0 | 0 | 104.3 | | |
| 465 | R | 26.9 | Very low | 30.8 | Very low | 203 Ų | 203 | 144.2 Ų | 144.2 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | | | cis | 69.6 | 86.7 | 22.7 | -161.9 | -178.5 | 179.2 | 162.3 | 4.6 | 116.1 | E467 | R465-E467 IonicContact NE-OE1 2.7Å; R465-E467 IonicContact NH2-OE1 3.58Å |
| 466 | L | 30.4 | Very low | 30.9 | Very low | 143 Ų | 143 | 142.4 Ų | 142.4 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | | | | -150.5 | 131.6 | 121.7 | -112.2 | 62.1 | 0 | 0 | 0 | 103.9 | | |
| 467 | E | 30 | Very low | 30.8 | Very low | 142 Ų | 142 | 139.5 Ų | 139.5 | 66% | 0.664 | 75% | 0.75 | S | S | * | * | | | | 62.3 | 123.5 | 80.9 | -64.4 | 158.8 | -151.7 | 0 | 0 | 111.8 | R465 | R465-E467 IonicContact NE-OE1 2.7Å; R465-E467 IonicContact NH2-OE1 3.58Å |
| 468 | S | 31 | Very low | 30.8 | Very low | 108 Ų | 108 | 140.7 Ų | 140.7 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | | | cis | -140.3 | -177.3 | 10.6 | 64.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 469 | L | 31.4 | Very low | 30.6 | Very low | 146 Ų | 146 | 143.8 Ų | 143.8 | 76% | 0.764 | 75% | 0.752 | S | S | * | * | | | cis | -144.7 | -113 | 6 | -165.2 | 68.6 | 0 | 0 | 0 | 111.8 | | |
| 470 | D | 33 | Very low | 30.4 | Very low | 123 Ų | 123 | 144.4 Ų | 144.4 | 66% | 0.658 | 76% | 0.759 | S | S | * | * | | | trans | -71.4 | 127.2 | -167.9 | -66.4 | -33.3 | 0 | 0 | 0 | 114.3 | | |
| 471 | E | 31.3 | Very low | 30.5 | Very low | 141 Ų | 141 | 144.1 Ų | 144.1 | 66% | 0.659 | 76% | 0.756 | S | S | * | * | | | | 67.5 | 129 | 83.4 | -66.5 | -158 | 148.4 | 0 | 0 | 114.1 | | |
| 472 | K | 36 | Very low | 30.2 | Very low | 156 Ų | 156 | 149.2 Ų | 149.2 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | | | cis | -160.1 | 152.3 | -3.5 | -90.7 | 148.6 | 176.6 | 149.3 | 0 | 106.1 | | |
| 473 | T | 31.2 | Very low | 30.1 | Very low | 122 Ų | 122 | 150.7 Ų | 150.7 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | | | cis | -162.6 | 135.8 | -15.5 | 22.2 | 0 | 0 | 0 | 0 | 105.8 | | |
| 474 | A | 30.4 | Very low | 29.9 | Very low | 87 Ų | 87 | 147.7 Ų | 147.7 | 72% | 0.719 | 76% | 0.757 | S | S | * | * | | | | 58.2 | 128 | 81.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 475 | V | 30.8 | Very low | 29.6 | Very low | 151 Ų | 151 | 147.7 Ų | 147.7 | 92% | 0.915 | 75% | 0.752 | S | S | * | * | | | cis | -152 | 149.9 | 11.6 | 178 | 0 | 0 | 0 | 0 | 108.2 | | |
| 476 | G | 29.5 | Very low | 29.6 | Very low | 70 Ų | 70 | 144.7 Ų | 144.7 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | | | cis | 165.5 | -177.5 | -2.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 477 | E | 29.1 | Very low | 29.5 | Very low | 137 Ų | 137 | 143.8 Ų | 143.8 | 64% | 0.64 | 75% | 0.752 | S | S | * | * | | | trans | -63.7 | 160.4 | -176.4 | -60.8 | 174.9 | 75.9 | 0 | 0 | 115.7 | R479 | E477-R479 IonicContact OE1-CZ 2.73Å; E477-R479 IonicContact OE1-NE 3.16Å; E477-R479 PolarHBondContact OE1-NE 3.3Å; E477-R479 VanDerWaalsContact OE1-NE 3.14Å; E477-R479 IonicContact OE1-NH2 2.92Å; E477-R479 IonicContact OE2-NH2 2.7Å |
| 478 | K | 32.9 | Very low | 29.3 | Very low | 210 Ų | 210 | 141.2 Ų | 141.2 | 91% | 0.913 | 76% | 0.755 | S | S | * | * | | | | -159.4 | 102.6 | 121.5 | -106.9 | 148 | -168.7 | 167.5 | 0 | 116.6 | | |
| 479 | R | 26.8 | Very low | 29.2 | Very low | 200 Ų | 200 | 144.1 Ų | 144.1 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | | | trans | -10 | 142.4 | 155.4 | -58.1 | 174.6 | -175.2 | -175.7 | -2.9 | 120.6 | E477 | E477-R479 IonicContact OE1-CZ 2.73Å; E477-R479 IonicContact OE1-NE 3.16Å; E477-R479 PolarHBondContact OE1-NE 3.3Å; E477-R479 VanDerWaalsContact OE1-NE 3.14Å; E477-R479 IonicContact OE1-NH2 2.92Å; E477-R479 IonicContact OE2-NH2 2.7Å |
| 480 | S | 26.9 | Very low | 29.1 | Very low | 112 Ų | 112 | 141.4 Ų | 141.4 | 78% | 0.783 | 75% | 0.747 | S | S | * | * | | | trans | 68.8 | 132.7 | 137.2 | -151.1 | 0 | 0 | 0 | 0 | 118.2 | | |
| 481 | V | 30 | Very low | 28.9 | Very low | 128 Ų | 128 | 140.9 Ų | 140.9 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | | | | -155 | 149.1 | 67.7 | 154.7 | 0 | 0 | 0 | 0 | 112.4 | | |
| 482 | R | 25.2 | Very low | 29 | Very low | 208 Ų | 208 | 140.7 Ų | 140.7 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | | | trans | -79.8 | 130.9 | -178.3 | -167.8 | -174.8 | -156.6 | 156.1 | 3.7 | 111.8 | | |
| 483 | N | 28.2 | Very low | 29 | Very low | 160 Ų | 160 | 138.6 Ų | 138.6 | 86% | 0.856 | 76% | 0.758 | S | S | * | * | | | trans | -137.8 | 134.8 | 163.5 | -107.5 | -38.7 | 0 | 0 | 0 | 110 | | |
| 484 | H | 25.4 | Very low | 29.3 | Very low | 149 Ų | 149 | 137.2 Ų | 137.2 | 69% | 0.69 | 75% | 0.745 | S | S | * | * | | | trans | -85.4 | 124.9 | -168.5 | -72.6 | -108.4 | 0 | 0 | 0 | 112.3 | | |
| 485 | Y | 25.6 | Very low | 29.9 | Very low | 206 Ų | 206 | 138 Ų | 138 | 81% | 0.808 | 75% | 0.746 | S | S | * | * | | | trans | -117.1 | 127.1 | 151.6 | -112.9 | -98 | 0 | 0 | 0 | 108 | N487 | Y485-N487 PolarHBondContact O-N 3.08Š|
| 486 | V | 26.8 | Very low | 30.4 | Very low | 139 Ų | 139 | 133.8 Ų | 133.8 | 84% | 0.842 | 72% | 0.721 | S | S | * | * | | | trans | -73.2 | 97.2 | -178.6 | 179.3 | 0 | 0 | 0 | 0 | 108.5 | A488 | V486-A488 PolarHBondContact O-N 3.34Š|
| 487 | N | 27.8 | Very low | 31.1 | Very low | 125 Ų | 125 | 134.3 Ų | 134.3 | 67% | 0.668 | 71% | 0.713 | S | S | * | * | | | trans | -83.4 | 100.2 | 177.8 | -164.2 | -5.8 | 0 | 0 | 0 | 108.7 | Y485 K489 | Y485-N487 PolarHBondContact O-N 3.08Å; N487-K489 PolarHBondContact O-N 3.31Å |
| 488 | A | 26.9 | Very low | 32.1 | Very low | 87 Ų | 87 | 131 Ų | 131 | 72% | 0.719 | 71% | 0.705 | S | S | * | * | | | trans | -73.5 | 66.8 | -177 | 0 | 0 | 0 | 0 | 0 | 111.9 | V486 S490 | V486-A488 PolarHBondContact O-N 3.34Å; A488-S490 PolarHBondContact O-N 3.09Å |
| 489 | K | 27.5 | Very low | 33.1 | Very low | 170 Ų | 170 | 125.2 Ų | 125.2 | 74% | 0.739 | 68% | 0.681 | S | S | * | * | | | trans | -73 | 72.9 | 173.3 | -71.4 | -169.6 | 171.5 | -167.7 | 0 | 110.9 | N487 S491 | N487-K489 PolarHBondContact O-N 3.31Å; K489-S491 VanDerWaalsContact C-N 3.26Å; K489-S491 PolarHBondContact O-N 2.91Å; K489-S491 VanDerWaalsContact O-N 3.09Å |
| 490 | S | 29.2 | Very low | 34.6 | Very low | 89 Ų | 89 | 119.5 Ų | 119.5 | 62% | 0.622 | 67% | 0.669 | S | S | * | * | | | trans | -80.5 | 75.4 | 165.6 | 59.5 | 0 | 0 | 0 | 0 | 109.9 | A488 L492 | A488-S490 PolarHBondContact O-N 3.09Å; S490-L492 PolarHBondContact O-N 3.34Å |
| 491 | S | 29.2 | Very low | 35.9 | Very low | 111 Ų | 111 | 120.5 Ų | 120.5 | 78% | 0.776 | 66% | 0.662 | S | S | * | * | | | trans | -75.3 | 72.6 | 172 | 54.2 | 0 | 0 | 0 | 0 | 110.3 | K489 | K489-S491 VanDerWaalsContact C-N 3.26Å; K489-S491 PolarHBondContact O-N 2.91Å; K489-S491 VanDerWaalsContact O-N 3.09Å |
| 492 | L | 34.2 | Very low | 37 | Very low | 137 Ų | 137 | 119.4 Ų | 119.4 | 72% | 0.717 | 65% | 0.652 | S | S | * | * | | | trans | -128.1 | 133.3 | 172.9 | -69.9 | 173.2 | 0 | 0 | 0 | 108.7 | S490 I494 | S490-L492 PolarHBondContact O-N 3.34Å; L492-I494 PolarHBondContact O-N 3.2Å |
| 493 | P | 36 | Very low | 38.4 | Very low | 113 Ų | 113 | 112.7 Ų | 112.7 | 73% | 0.734 | 63% | 0.632 | S | S | * | * | | | trans | -64.9 | 121.5 | 177.3 | 26.9 | -33.1 | 0 | 0 | 0 | 109.6 | S495 | P493-S495 VanDerWaalsContact C-N 3.33Å; P493-S495 PolarHBondContact O-N 3.06Å |
| 494 | I | 37.8 | Very low | 39.4 | Very low | 92 Ų | 92 | 106.9 Ų | 106.9 | 47% | 0.472 | 61% | 0.606 | S | S | . | * | | | trans | -76.6 | 88.1 | -179.6 | -56.2 | 178.2 | 0 | 0 | 0 | 107.7 | L492 Q499 V500 L503 | L492-I494 PolarHBondContact O-N 3.2Å; I494-Q499 HydrophobicContact CG2-CB 3.74Å; I494-V500 HydrophobicContact CG2-CB 4.46Å; I494-V500 HydrophobicContact CG2-CG2 3.52Å; I494-L503 HydrophobicContact CD1-CD2 3.66Å |
| 495 | S | 41.2 | Very low | 40.8 | Very low | 104 Ų | 104 | 102.1 Ų | 102.1 | 73% | 0.727 | 59% | 0.587 | S | S | * | * | | | trans | -91.4 | -8.1 | -169.1 | -171.3 | 0 | 0 | 0 | 0 | 113.7 | P493 | P493-S495 VanDerWaalsContact C-N 3.33Å; P493-S495 PolarHBondContact O-N 3.06Å |
| 496 | T | 41.7 | Very low | 42.1 | Very low | 63 Ų | 63 | 96.9 Ų | 96.9 | 39% | 0.387 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -139.3 | 151.9 | -174.5 | 61.1 | 0 | 0 | 0 | 0 | 113 | S498 Q499 V500 | T496-S498 VanDerWaalsContact C-N 3.27Å; T496-S498 PolarHBondContact O-N 3.46Å; T496-S498 PolarHBondContact OG1-OG 2.87Å; T496-Q499 PolarHBondContact O-N 2.99Å; T496-Q499 VanDerWaalsContact O-N 3.13Å; T496-Q499 VanDerWaalsContact OG1-CD 3.26Å; T496-Q499 VanDerWaalsContact OG1-CG 3.27Å; T496-Q499 WeakPolarHBondContact OG1-CG 3.39Å; T496-Q499 PolarHBondContact OG1-OE1 3.46Å; T496-V500 PolarHBondContact O-N 3.4Å |
| 497 | S | 44.9 | Very low | 43.4 | Very low | 81 Ų | 81 | 95.3 Ų | 95.3 | 57% | 0.566 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -58.8 | -35.7 | 178.6 | 51.9 | 0 | 0 | 0 | 0 | 113.2 | Q499 V500 M501 | S497-Q499 VanDerWaalsContact C-N 3.35Å; S497-Q499 PolarHBondContact O-N 2.99Å; S497-V500 PolarHBondContact O-N 3.12Å; S497-M501 PolarHBondContact O-N 3.33Å |
| 498 | S | 49.6 | Very low | 44.3 | Very low | 68 Ų | 68 | 97.3 Ų | 97.3 | 48% | 0.476 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.1 | -35.8 | 176.1 | 57 | 0 | 0 | 0 | 0 | 112.9 | T496 M501 N502 | T496-S498 VanDerWaalsContact C-N 3.27Å; T496-S498 PolarHBondContact O-N 3.46Å; T496-S498 PolarHBondContact OG1-OG 2.87Å; S498-M501 PolarHBondContact O-N 2.83Å; S498-N502 WeakPolarHBondContact O-CB 3.17Å; S498-N502 PolarHBondContact O-N 2.8Å; S498-N502 PolarHBondContact O-ND2 2.97Å |
| 499 | Q | 54.1 | Low | 45.3 | Very low | 88 Ų | 88 | 101.6 Ų | 101.6 | 41% | 0.411 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69 | -38.6 | 174.9 | -68.6 | 168.3 | -13.9 | 0 | 0 | 111.6 | I494 T496 S497 N502 L503 | I494-Q499 HydrophobicContact CG2-CB 3.74Å; T496-Q499 PolarHBondContact O-N 2.99Å; T496-Q499 VanDerWaalsContact O-N 3.13Å; T496-Q499 VanDerWaalsContact OG1-CD 3.26Å; T496-Q499 VanDerWaalsContact OG1-CG 3.27Å; T496-Q499 WeakPolarHBondContact OG1-CG 3.39Å; T496-Q499 PolarHBondContact OG1-OE1 3.46Å; S497-Q499 VanDerWaalsContact C-N 3.35Å; S497-Q499 PolarHBondContact O-N 2.99Å; Q499-N502 PolarHBondContact O-N 2.98Å; Q499-L503 WeakPolarHBondContact O-CB 3.28Å; Q499-L503 PolarHBondContact O-N 2.84Å |
| 500 | V | 59.2 | Low | 46.1 | Very low | 80 Ų | 80 | 99.7 Ų | 99.7 | 49% | 0.485 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.5 | -48.7 | 172.5 | -177 | 0 | 0 | 0 | 0 | 110.8 | I494 T496 S497 N502 L503 A504 | I494-V500 HydrophobicContact CG2-CB 4.46Å; I494-V500 HydrophobicContact CG2-CG2 3.52Å; T496-V500 PolarHBondContact O-N 3.4Å; S497-V500 PolarHBondContact O-N 3.12Å; V500-N502 PolarHBondContact O-N 2.97Å; V500-L503 PolarHBondContact O-N 3.42Å; V500-A504 WeakPolarHBondContact O-CB 3.34Å; V500-A504 PolarHBondContact O-N 3.03Å |
| 501 | M | 53 | Low | 46.7 | Very low | 133 Ų | 133 | 99.5 Ų | 99.5 | 66% | 0.655 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -56.3 | -46 | 176 | -96.9 | -92.8 | -81 | 0 | 0 | 112.6 | S497 S498 T505 | S497-M501 PolarHBondContact O-N 3.33Å; S498-M501 PolarHBondContact O-N 2.83Å; M501-T505 VanDerWaalsContact O-CB 3.3Å; M501-T505 WeakPolarHBondContact O-CB 3.34Å; M501-T505 PolarHBondContact O-N 3.27Å; M501-T505 PolarHBondContact O-OG1 3.37Å |
| 502 | N | 53.6 | Low | 47.2 | Very low | 104 Ų | 104 | 98.1 Ų | 98.1 | 56% | 0.556 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.3 | -42.2 | 178.9 | -78.1 | -27.8 | 0 | 0 | 0 | 112.1 | S498 Q499 V500 T505 L506 | S498-N502 WeakPolarHBondContact O-CB 3.17Å; S498-N502 PolarHBondContact O-N 2.8Å; S498-N502 PolarHBondContact O-ND2 2.97Å; Q499-N502 PolarHBondContact O-N 2.98Å; V500-N502 PolarHBondContact O-N 2.97Å; N502-T505 PolarHBondContact O-N 2.82Å; N502-L506 PolarHBondContact O-N 3.06Å |
| 503 | L | 54.1 | Low | 47.2 | Very low | 68 Ų | 68 | 99.9 Ų | 99.9 | 36% | 0.356 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.1 | -46.7 | 175.8 | -175 | 70.3 | 0 | 0 | 0 | 111.6 | I494 Q499 V500 T505 L506 L507 | I494-L503 HydrophobicContact CD1-CD2 3.66Å; Q499-L503 WeakPolarHBondContact O-CB 3.28Å; Q499-L503 PolarHBondContact O-N 2.84Å; V500-L503 PolarHBondContact O-N 3.42Å; L503-T505 VanDerWaalsContact C-N 3.26Å; L503-T505 PolarHBondContact O-N 2.99Å; L503-L506 WeakPolarHBondContact O-CB 3.32Å; L503-L506 PolarHBondContact O-N 3.17Å; L503-L507 HydrophobicContact CG-CD1 4.05Å; L503-L507 HydrophobicContact CG-CG 4.47Å; L503-L507 WeakPolarHBondContact O-CB 3.15Å; L503-L507 WeakPolarHBondContact O-CG 3.49Å; L503-L507 PolarHBondContact O-N 3.22Å |
| 504 | A | 50.3 | Low | 47.1 | Very low | 38 Ų | 38 | 102.6 Ų | 102.6 | 31% | 0.314 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.5 | -37.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V500 L507 R508 | V500-A504 WeakPolarHBondContact O-CB 3.34Å; V500-A504 PolarHBondContact O-N 3.03Å; A504-L507 PolarHBondContact O-N 3.28Å; A504-R508 WeakPolarHBondContact O-CB 3.46Å; A504-R508 VanDerWaalsContact O-CG 3.3Å; A504-R508 WeakPolarHBondContact O-CG 3.25Å; A504-R508 PolarHBondContact O-N 3.34Å |
| 505 | T | 54.1 | Low | 46.7 | Very low | 49 Ų | 49 | 109.8 Ų | 109.8 | 30% | 0.301 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -69.1 | -40.8 | 175.3 | -59 | 0 | 0 | 0 | 0 | 112.1 | M501 N502 L503 R508 R509 | M501-T505 VanDerWaalsContact O-CB 3.3Å; M501-T505 WeakPolarHBondContact O-CB 3.34Å; M501-T505 PolarHBondContact O-N 3.27Å; M501-T505 PolarHBondContact O-OG1 3.37Å; N502-T505 PolarHBondContact O-N 2.82Å; L503-T505 VanDerWaalsContact C-N 3.26Å; L503-T505 PolarHBondContact O-N 2.99Å; T505-R508 PolarHBondContact O-N 2.92Å; T505-R509 WeakPolarHBondContact O-CB 3.39Å; T505-R509 WeakPolarHBondContact O-CG 3.35Å; T505-R509 PolarHBondContact O-N 3.41Å |
| 506 | L | 52.2 | Low | 46.2 | Very low | 95 Ų | 95 | 110.3 Ų | 110.3 | 50% | 0.497 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -59.3 | -49.3 | 171.1 | -114.1 | 92 | 0 | 0 | 0 | 111 | N502 L503 R508 R509 H510 | N502-L506 PolarHBondContact O-N 3.06Å; L503-L506 WeakPolarHBondContact O-CB 3.32Å; L503-L506 PolarHBondContact O-N 3.17Å; L506-R508 PolarHBondContact O-N 2.85Å; L506-R509 CarbonylContact O-C 3.6Å; L506-R509 PolarHBondContact O-N 2.91Å; L506-R509 VanDerWaalsContact O-N 3.1Å; L506-H510 PolarHBondContact O-CD2 3.37Å; L506-H510 PolarHBondContact O-N 2.88Å |
| 507 | L | 55 | Low | 45.6 | Very low | 106 Ų | 106 | 112 Ų | 112 | 56% | 0.555 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -62.5 | -40.5 | -178.6 | -70.2 | 171.8 | 0 | 0 | 0 | 111.8 | L503 A504 H510 A511 | L503-L507 HydrophobicContact CG-CD1 4.05Å; L503-L507 HydrophobicContact CG-CG 4.47Å; L503-L507 WeakPolarHBondContact O-CB 3.15Å; L503-L507 WeakPolarHBondContact O-CG 3.49Å; L503-L507 PolarHBondContact O-N 3.22Å; A504-L507 PolarHBondContact O-N 3.28Å; L507-H510 PolarHBondContact O-N 3.28Å; L507-A511 VanDerWaalsContact O-CB 3.26Å; L507-A511 WeakPolarHBondContact O-CB 3.42Å; L507-A511 PolarHBondContact O-N 3.26Å |
| 508 | R | 46.7 | Very low | 44.9 | Very low | 167 Ų | 167 | 113 Ų | 113 | 63% | 0.63 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -61.4 | -43.2 | 171.2 | -74.1 | 174.5 | -174.2 | 177.6 | 4.4 | 112.1 | A504 T505 L506 A511 S512 | A504-R508 WeakPolarHBondContact O-CB 3.46Å; A504-R508 VanDerWaalsContact O-CG 3.3Å; A504-R508 WeakPolarHBondContact O-CG 3.25Å; A504-R508 PolarHBondContact O-N 3.34Å; T505-R508 PolarHBondContact O-N 2.92Å; L506-R508 PolarHBondContact O-N 2.85Å; R508-A511 PolarHBondContact O-N 3.22Å; R508-S512 PolarHBondContact O-N 3.14Å |
| 509 | R | 48 | Very low | 43.8 | Very low | 177 Ų | 177 | 120.8 Ų | 120.8 | 67% | 0.668 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65.5 | -34.8 | 176.5 | -74.1 | 175.8 | 179.5 | -176.2 | 0.9 | 112.6 | T505 L506 S512 F513 | T505-R509 WeakPolarHBondContact O-CB 3.39Å; T505-R509 WeakPolarHBondContact O-CG 3.35Å; T505-R509 PolarHBondContact O-N 3.41Å; L506-R509 CarbonylContact O-C 3.6Å; L506-R509 PolarHBondContact O-N 2.91Å; L506-R509 VanDerWaalsContact O-N 3.1Å; R509-S512 PolarHBondContact O-OG 3.47Å; R509-F513 WeakPolarHBondContact O-CD2 3.43Å |
| 510 | H | 44.1 | Very low | 42.8 | Very low | 131 Ų | 131 | 125.2 Ų | 125.2 | 61% | 0.606 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -79 | -34.5 | 175.9 | -73.5 | -63.1 | 0 | 0 | 0 | 113.3 | L506 L507 S512 F513 | L506-H510 PolarHBondContact O-CD2 3.37Å; L506-H510 PolarHBondContact O-N 2.88Å; L507-H510 PolarHBondContact O-N 3.28Å; H510-S512 VanDerWaalsContact C-N 3.29Å; H510-S512 PolarHBondContact O-N 3.04Å; H510-F513 PolarHBondContact O-N 3.43Å |
| 511 | A | 42.5 | Very low | 41.3 | Very low | 84 Ų | 84 | 126.8 Ų | 126.8 | 69% | 0.694 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -66.5 | -27 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L507 R508 F513 | L507-A511 VanDerWaalsContact O-CB 3.26Å; L507-A511 WeakPolarHBondContact O-CB 3.42Å; L507-A511 PolarHBondContact O-N 3.26Å; R508-A511 PolarHBondContact O-N 3.22Å; A511-F513 VanDerWaalsContact C-N 3.29Å; A511-F513 PolarHBondContact O-N 2.84Å |
| 512 | S | 38.8 | Very low | 40.2 | Very low | 83 Ų | 83 | 126.7 Ų | 126.7 | 58% | 0.58 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -18.4 | 176.8 | 63.2 | 0 | 0 | 0 | 0 | 113.9 | R508 R509 H510 K514 | R508-S512 PolarHBondContact O-N 3.14Å; R509-S512 PolarHBondContact O-OG 3.47Å; H510-S512 VanDerWaalsContact C-N 3.29Å; H510-S512 PolarHBondContact O-N 3.04Å; S512-K514 PolarHBondContact O-N 3.29Å |
| 513 | F | 33.9 | Very low | 39.2 | Very low | 173 Ų | 173 | 128.2 Ų | 128.2 | 76% | 0.759 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -97.8 | 55.3 | -173.9 | -89.7 | -90.1 | 0 | 0 | 0 | 114.2 | R509 H510 A511 | R509-F513 WeakPolarHBondContact O-CD2 3.43Å; H510-F513 PolarHBondContact O-N 3.43Å; A511-F513 VanDerWaalsContact C-N 3.29Å; A511-F513 PolarHBondContact O-N 2.84Å |
| 514 | K | 35 | Very low | 38 | Very low | 171 Ų | 171 | 132.7 Ų | 132.7 | 74% | 0.743 | 68% | 0.682 | S | S | * | * | | | trans | -163.4 | 52.5 | 165 | -113.8 | 156.9 | -171.4 | 179.9 | 0 | 116.5 | S512 | S512-K514 PolarHBondContact O-N 3.29Š|
| 515 | R | 28.7 | Very low | 37 | Very low | 243 Ų | 243 | 137.5 Ų | 137.5 | 92% | 0.917 | 71% | 0.707 | S | S | * | * | | | trans | -93.8 | 111.6 | 155 | -84.1 | -173.2 | 175.1 | 171.7 | -0.3 | 109.8 | A517 | R515-A517 PolarHBondContact O-N 2.88Š|
| 516 | P | 30.4 | Very low | 35.8 | Very low | 115 Ų | 115 | 144.3 Ų | 144.3 | 75% | 0.747 | 73% | 0.733 | S | S | * | * | | | trans | -68.3 | 129.5 | 170.6 | 28.5 | -32.6 | 0 | 0 | 0 | 109.4 | S518 | P516-S518 VanDerWaalsContact C-N 3.32Å; P516-S518 PolarHBondContact O-N 3.26Å |
| 517 | A | 28.5 | Very low | 34.8 | Very low | 99 Ų | 99 | 145.6 Ų | 145.6 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | | | trans | -76.5 | 81.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | R515 R519 | R515-A517 PolarHBondContact O-N 2.88Å; A517-R519 PolarHBondContact O-N 2.86Å |
| 518 | S | 31.4 | Very low | 33.6 | Very low | 101 Ų | 101 | 145.6 Ų | 145.6 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | | | trans | -71.4 | 71.7 | 179.6 | 47.2 | 0 | 0 | 0 | 0 | 112.7 | P516 H520 | P516-S518 VanDerWaalsContact C-N 3.32Å; P516-S518 PolarHBondContact O-N 3.26Å; S518-H520 PolarHBondContact O-N 2.93Å |
| 519 | R | 26.9 | Very low | 32.8 | Very low | 232 Ų | 232 | 142.6 Ų | 142.6 | 88% | 0.875 | 76% | 0.763 | S | S | * | * | | | trans | -64.1 | 76.9 | 158.7 | -78.6 | -175.4 | 169.2 | -176.4 | -2.6 | 109.8 | A517 V521 | A517-R519 PolarHBondContact O-N 2.86Å; R519-V521 VanDerWaalsContact C-N 3.3Å; R519-V521 PolarHBondContact O-N 3.11Å |
| 520 | H | 31.4 | Very low | 32 | Very low | 181 Ų | 181 | 139.8 Ų | 139.8 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | | | trans | -78.2 | 88.3 | 164.6 | -99.4 | -63.3 | 0 | 0 | 0 | 109.9 | S518 | S518-H520 PolarHBondContact O-N 2.93Š|
| 521 | V | 29.5 | Very low | 31.5 | Very low | 112 Ų | 112 | 145.1 Ų | 145.1 | 68% | 0.679 | 78% | 0.782 | S | S | * | * | | | trans | -54.5 | 134.6 | 166.6 | 174.5 | 0 | 0 | 0 | 0 | 109.4 | R519 T523 | R519-V521 VanDerWaalsContact C-N 3.3Å; R519-V521 PolarHBondContact O-N 3.11Å; V521-T523 PolarHBondContact O-N 3.28Å; V521-T523 VanDerWaalsContact O-N 3.08Å |
| 522 | T | 29.5 | Very low | 31.1 | Very low | 131 Ų | 131 | 148.7 Ų | 148.7 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | trans | -63.2 | 103.2 | 170.9 | 21.4 | 0 | 0 | 0 | 0 | 110.7 | Q524 | T522-Q524 PolarHBondContact O-N 3.47Š|
| 523 | T | 32 | Very low | 30.8 | Very low | 136 Ų | 136 | 149.6 Ų | 149.6 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 124 | 165.8 | 44.1 | 0 | 0 | 0 | 0 | 109.7 | V521 | V521-T523 PolarHBondContact O-N 3.28Å; V521-T523 VanDerWaalsContact O-N 3.08Å |
| 524 | Q | 28.2 | Very low | 30.9 | Very low | 162 Ų | 162 | 144.8 Ų | 144.8 | 76% | 0.757 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 144.8 | -170.3 | -64 | 174.2 | -19.2 | 0 | 0 | 114.2 | T522 | T522-Q524 PolarHBondContact O-N 3.47Š|
| 525 | V | 31.1 | Very low | 30.7 | Very low | 139 Ų | 139 | 144 Ų | 144 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 136.3 | 142 | 177.1 | 0 | 0 | 0 | 0 | 107.4 | S527 | V525-S527 PolarHBondContact O-N 3.34Š|
| 526 | K | 28.3 | Very low | 31 | Very low | 193 Ų | 193 | 137.7 Ų | 137.7 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 119.8 | -172.2 | -63.9 | 177 | 178.4 | 179.4 | 0 | 112.4 | | |
| 527 | S | 30.2 | Very low | 31 | Very low | 121 Ų | 121 | 135.4 Ų | 135.4 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | | | trans | -159.6 | 52.3 | 160.4 | 50.6 | 0 | 0 | 0 | 0 | 113.2 | V525 | V525-S527 PolarHBondContact O-N 3.34Š|
| 528 | S | 30.3 | Very low | 31.2 | Very low | 107 Ų | 107 | 140.6 Ų | 140.6 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | | | trans | -117.3 | 146.7 | 159.6 | 63.1 | 0 | 0 | 0 | 0 | 108.2 | | |
| 529 | S | 29.3 | Very low | 31.5 | Very low | 104 Ų | 104 | 143.2 Ų | 143.2 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | cis | -150.3 | 148.4 | 7.4 | -173 | 0 | 0 | 0 | 0 | 110.3 | | |
| 530 | P | 31.9 | Very low | 31.9 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | | | trans | -85 | 126.4 | 167.1 | 33.2 | -30.5 | 0 | 0 | 0 | 111.3 | | |
| 531 | R | 33.2 | Very low | 32 | Very low | 243 Ų | 243 | 132.1 Ų | 132.1 | 92% | 0.917 | 78% | 0.778 | S | S | * | * | | | trans | -169.3 | 110.3 | 153.4 | -117.1 | 173.6 | 177.8 | -163.5 | -3.3 | 113.2 | | |
| 532 | N | 35.3 | Very low | 32.2 | Very low | 160 Ų | 160 | 130.4 Ų | 130.4 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | | | trans | -179 | 139.6 | 153.8 | -95.9 | -2.7 | 0 | 0 | 0 | 103.9 | | |
| 533 | S | 32.9 | Very low | 32.4 | Very low | 102 Ų | 102 | 130.6 Ų | 130.6 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | | | cis | 166.1 | 121.8 | -12.5 | 41.8 | 0 | 0 | 0 | 0 | 103.2 | | |
| 534 | G | 34.6 | Very low | 32.7 | Very low | 71 Ų | 71 | 133.1 Ų | 133.1 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | | | trans | 80.9 | 156.2 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 535 | D | 32.1 | Very low | 32.9 | Very low | 154 Ų | 154 | 135.5 Ų | 135.5 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | | | cis | -159.1 | 154.5 | -17.4 | -143.6 | -28.1 | 0 | 0 | 0 | 111.9 | | |
| 536 | S | 34 | Very low | 33 | Very low | 111 Ų | 111 | 133.2 Ų | 133.2 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | | | trans | 58.7 | 172.7 | 169.9 | 76 | 0 | 0 | 0 | 0 | 118.2 | | |
| 537 | A | 30.6 | Very low | 33.1 | Very low | 68 Ų | 68 | 135.5 Ų | 135.5 | 56% | 0.562 | 78% | 0.775 | S | S | * | * | | | | -164.5 | 169.1 | -52.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 538 | Y | 32.3 | Very low | 33.2 | Very low | 208 Ų | 208 | 135.8 Ų | 135.8 | 82% | 0.816 | 77% | 0.774 | S | S | * | * | | | trans | 68.6 | 118.7 | 162.8 | -58.7 | -64.7 | 0 | 0 | 0 | 118.4 | | |
| 539 | L | 37.7 | Very low | 33.1 | Very low | 155 Ų | 155 | 135.5 Ų | 135.5 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | | | | 83.5 | 149.1 | 104 | -72.1 | 175.6 | 0 | 0 | 0 | 114.5 | | |
| 540 | S | 36.4 | Very low | 32.9 | Very low | 111 Ų | 111 | 135.9 Ų | 135.9 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | | | cis | -151.6 | 155.3 | -15.6 | -150.2 | 0 | 0 | 0 | 0 | 105.4 | | |
| 541 | G | 33.3 | Very low | 32.9 | Very low | 70 Ų | 70 | 137.9 Ų | 137.9 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | | | | 109.1 | 146.7 | 52.6 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 542 | G | 34 | Very low | 32.8 | Very low | 76 Ų | 76 | 132.6 Ų | 132.6 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | | | trans | 89.4 | 105.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 543 | E | 33.1 | Very low | 32.6 | Very low | 134 Ų | 134 | 130.4 Ų | 130.4 | 63% | 0.626 | 78% | 0.775 | S | S | * | * | | | cis | 86.6 | 108.2 | 34.1 | -157.4 | -153.7 | 167.8 | 0 | 0 | 115.4 | R545 | E543-R545 IonicContact OE1-CZ 3.21Å; E543-R545 IonicContact OE1-NE 3.85Å; E543-R545 PolarHBondContact OE1-NE 3.09Å; E543-R545 IonicContact OE1-NH2 2.77Å; E543-R545 PolarHBondContact OE1-NH2 3.29Å |
| 544 | K | 37.3 | Very low | 32.5 | Very low | 189 Ų | 189 | 128.5 Ų | 128.5 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | | | trans | -176.4 | 126.1 | 137.4 | -91.9 | 143.3 | -169.1 | 177.3 | 0 | 106.7 | | |
| 545 | R | 33.6 | Very low | 32.5 | Very low | 212 Ų | 212 | 132.7 Ų | 132.7 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | | | | 61.5 | 131 | 69.1 | -60.6 | -177.2 | -165.5 | -143.8 | 5.7 | 111.5 | E543 | E543-R545 IonicContact OE1-CZ 3.21Å; E543-R545 IonicContact OE1-NE 3.85Å; E543-R545 PolarHBondContact OE1-NE 3.09Å; E543-R545 IonicContact OE1-NH2 2.77Å; E543-R545 PolarHBondContact OE1-NH2 3.29Å |
| 546 | A | 32.5 | Very low | 32.5 | Very low | 91 Ų | 91 | 128.7 Ų | 128.7 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | | | cis | -140.6 | 139.1 | 12 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 547 | R | 31 | Very low | 32.4 | Very low | 242 Ų | 242 | 131.7 Ų | 131.7 | 91% | 0.913 | 76% | 0.763 | S | S | * | * | | | | 61.5 | 136.2 | 101.5 | -74.5 | -169.2 | 170.3 | -179.5 | -2.9 | 117.7 | | |
| 548 | P | 32 | Very low | 32.4 | Very low | 126 Ų | 126 | 136.1 Ų | 136.1 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | | | trans | -93.6 | 179.3 | -179.4 | 40.5 | -37.9 | 0 | 0 | 0 | 113.6 | | |
| 549 | A | 28.1 | Very low | 32.2 | Very low | 102 Ų | 102 | 131.3 Ų | 131.3 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | | | trans | -118.2 | 142.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 550 | S | 25.3 | Very low | 31.8 | Very low | 111 Ų | 111 | 132.7 Ų | 132.7 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | | | trans | -158.2 | 126.1 | 176.6 | 59 | 0 | 0 | 0 | 0 | 111.3 | | |
| 551 | I | 32 | Very low | 31.5 | Very low | 159 Ų | 159 | 130.6 Ų | 130.6 | 82% | 0.815 | 78% | 0.776 | S | S | * | * | | | trans | -146.2 | 109.1 | 174.4 | -60.6 | -175.3 | 0 | 0 | 0 | 104.4 | | |
| 552 | V | 30.7 | Very low | 31.3 | Very low | 133 Ų | 133 | 136.4 Ų | 136.4 | 81% | 0.806 | 79% | 0.789 | S | S | * | * | | | | 62.7 | 133.3 | 88.8 | 177.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 553 | S | 31.1 | Very low | 31 | Very low | 113 Ų | 113 | 136.4 Ų | 136.4 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | | | cis | -112.3 | 173.1 | 12.5 | -44.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 554 | G | 31.6 | Very low | 30.8 | Very low | 62 Ų | 62 | 139.2 Ų | 139.2 | 64% | 0.639 | 80% | 0.803 | S | S | * | * | | | cis | 110.7 | 149.3 | 29.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 555 | D | 33.9 | Very low | 30.5 | Very low | 160 Ų | 160 | 141.6 Ų | 141.6 | 86% | 0.856 | 81% | 0.807 | S | S | * | * | | | cis | -170.8 | 167.2 | -7.5 | -119.1 | -62.6 | 0 | 0 | 0 | 108.2 | | |
| 556 | S | 32.3 | Very low | 30.4 | Very low | 69 Ų | 69 | 137.4 Ų | 137.4 | 48% | 0.483 | 80% | 0.804 | S | S | . | * | | | cis | -158.9 | 170.3 | 3.7 | 65.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 557 | Q | 32.1 | Very low | 30.3 | Very low | 175 Ų | 175 | 141.4 Ų | 141.4 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | | | trans | 70.3 | 149.2 | 160 | -59.8 | 168 | 62.2 | 0 | 0 | 117.2 | | |
| 558 | I | 30 | Very low | 30.2 | Very low | 161 Ų | 161 | 135 Ų | 135 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | | | cis | -122.9 | 152.8 | 10.4 | -64.7 | 170.1 | 0 | 0 | 0 | 110.6 | | |
| 559 | S | 28.6 | Very low | 30 | Very low | 106 Ų | 106 | 136.8 Ų | 136.8 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | | | trans | -97.6 | 156 | -174.3 | -46.4 | 0 | 0 | 0 | 0 | 115.3 | | |
| 560 | L | 29.5 | Very low | 30.1 | Very low | 184 Ų | 184 | 137.6 Ų | 137.6 | 96% | 0.963 | 80% | 0.797 | S | S | * | * | | | trans | 159.4 | 140.4 | 143.2 | -88.6 | 168.5 | 0 | 0 | 0 | 108.5 | | |
| 561 | G | 30 | Very low | 30.2 | Very low | 68 Ų | 68 | 142.2 Ų | 142.2 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | | | cis | -172.2 | 146.5 | -7 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 562 | L | 28.4 | Very low | 30.1 | Very low | 191 Ų | 191 | 143.1 Ų | 143.1 | 100% | 1 | 80% | 0.799 | S | S | * | * | | | trans | -57.9 | 146.7 | -169 | -68.7 | 160.8 | 0 | 0 | 0 | 115.4 | | |
| 563 | G | 28 | Very low | 30.1 | Very low | 77 Ų | 77 | 142.4 Ų | 142.4 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | | | trans | -176 | 91.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | R565 | G563-R565 PolarHBondContact O-N 2.94Š|
| 564 | E | 28.1 | Very low | 30.1 | Very low | 192 Ų | 192 | 140.1 Ų | 140.1 | 90% | 0.897 | 79% | 0.791 | S | S | * | * | | | trans | -72.8 | 117.3 | 169.8 | -64.6 | -176.9 | 119.3 | 0 | 0 | 111.8 | | |
| 565 | R | 31.3 | Very low | 29.9 | Very low | 240 Ų | 240 | 148.4 Ų | 148.4 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | | | trans | -165.2 | 95.3 | 155.9 | -119.3 | 164.3 | -104.7 | -156.7 | -4.8 | 115.7 | G563 | G563-R565 PolarHBondContact O-N 2.94Š|
| 566 | V | 32.9 | Very low | 29.7 | Very low | 123 Ų | 123 | 149.2 Ų | 149.2 | 75% | 0.745 | 80% | 0.804 | S | S | * | * | | | | 24.1 | 109 | 127.9 | -175 | 0 | 0 | 0 | 0 | 117.6 | | |
| 567 | H | 28.5 | Very low | 29.6 | Very low | 175 Ų | 175 | 152.6 Ų | 152.6 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | | | trans | 67.3 | 99.1 | 153.2 | -67.2 | 52.1 | 0 | 0 | 0 | 120.5 | | |
| 568 | S | 29 | Very low | 29.5 | Very low | 108 Ų | 108 | 150.6 Ų | 150.6 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | | | | -167.3 | 128.1 | 112.3 | 50.7 | 0 | 0 | 0 | 0 | 111.5 | T570 | S568-T570 PolarHBondContact O-N 3.34Š|
| 569 | N | 28.7 | Very low | 29.4 | Very low | 164 Ų | 164 | 152.4 Ų | 152.4 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | | | trans | -81.4 | 102.3 | -173.7 | -71.9 | -4.1 | 0 | 0 | 0 | 111.7 | | |
| 570 | T | 29.1 | Very low | 29.4 | Very low | 119 Ų | 119 | 153 Ų | 153 | 73% | 0.73 | 81% | 0.809 | S | S | * | * | | | trans | -101.5 | 122.7 | 169.2 | -56.4 | 0 | 0 | 0 | 0 | 109.7 | S568 | S568-T570 PolarHBondContact O-N 3.34Š|
| 571 | Y | 27.3 | Very low | 29.3 | Very low | 207 Ų | 207 | 153.5 Ų | 153.5 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | | | trans | -117.5 | 141.6 | 167.6 | -92.1 | -81.8 | 0 | 0 | 0 | 109.7 | | |
| 572 | H | 31.7 | Very low | 29.5 | Very low | 179 Ų | 179 | 158.4 Ų | 158.4 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | | | trans | -39.8 | 129.2 | -163.3 | -64.6 | -85.8 | 0 | 0 | 0 | 118.1 | | |
| 573 | P | 30.1 | Very low | 29.4 | Very low | 118 Ų | 118 | 155.7 Ų | 155.7 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | | | trans | -80.8 | 160.2 | 144.9 | 36 | -31.9 | 0 | 0 | 0 | 110.6 | | |
| 574 | G | 29.9 | Very low | 29.5 | Very low | 65 Ų | 65 | 158.1 Ų | 158.1 | 67% | 0.67 | 81% | 0.806 | S | S | * | * | | | trans | 127.7 | 74.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 575 | Y | 28.9 | Very low | 29.5 | Very low | 236 Ų | 236 | 156.4 Ų | 156.4 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | | | trans | -152.1 | 97.9 | 140.8 | -95.4 | -70 | 0 | 0 | 0 | 107.3 | | |
| 576 | Q | 28.9 | Very low | 29.3 | Very low | 177 Ų | 177 | 150.5 Ų | 150.5 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | | | trans | -97 | 104.2 | -175.3 | -174.9 | 171.7 | -3.9 | 0 | 0 | 109.2 | | |
| 577 | I | 30.5 | Very low | 29.2 | Very low | 140 Ų | 140 | 152.5 Ų | 152.5 | 72% | 0.718 | 80% | 0.803 | S | S | * | * | | | trans | -93.6 | 112.5 | 170.1 | -59.2 | 177.3 | 0 | 0 | 0 | 106.9 | Y579 | I577-Y579 PolarHBondContact O-N 2.86Š|
| 578 | N | 30.8 | Very low | 29.3 | Very low | 132 Ų | 132 | 148.7 Ų | 148.7 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 127.4 | 179 | -67.6 | -20.3 | 0 | 0 | 0 | 110.2 | | |
| 579 | Y | 26.7 | Very low | 29.2 | Very low | 199 Ų | 199 | 153.6 Ų | 153.6 | 78% | 0.78 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 146.7 | 157.7 | -74.1 | -88.6 | 0 | 0 | 0 | 108 | I577 E581 | I577-Y579 PolarHBondContact O-N 2.86Å; Y579-E581 PolarHBondContact O-N 3.13Å |
| 580 | P | 29.7 | Very low | 29.1 | Very low | 120 Ų | 120 | 150.8 Ų | 150.8 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -66 | 127.4 | 178.8 | 26.1 | -33.4 | 0 | 0 | 0 | 111.4 | E582 | P580-E582 PolarHBondContact O-N 3.45Š|
| 581 | E | 27.8 | Very low | 29 | Very low | 193 Ų | 193 | 150.4 Ų | 150.4 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | | | trans | -86.9 | 83.6 | 175 | -70.6 | -164.9 | 142.8 | 0 | 0 | 111.2 | Y579 | Y579-E581 PolarHBondContact O-N 3.13Š|
| 582 | E | 33.3 | Very low | 29.1 | Very low | 171 Ų | 171 | 147.1 Ų | 147.1 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | | | trans | -125.8 | 159.1 | 167.3 | -67.1 | -169.2 | 175.8 | 0 | 0 | 111.5 | P580 | P580-E582 PolarHBondContact O-N 3.45Š|
| 583 | C | 26.9 | Very low | 28.9 | Very low | 134 Ų | 134 | 144.3 Ų | 144.3 | 91% | 0.905 | 81% | 0.806 | S | S | * | * | S | Bend | trans | 70.5 | 35.1 | -177.2 | -62.5 | 0 | 0 | 0 | 0 | 118 | | |
| 584 | T | 28.8 | Very low | 28.7 | Very low | 128 Ų | 128 | 147.1 Ų | 147.1 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | | | trans | -129.6 | 83.5 | 153.9 | 57.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 585 | N | 29 | Very low | 28.5 | Very low | 156 Ų | 156 | 152.2 Ų | 152.2 | 83% | 0.834 | 82% | 0.823 | S | S | * | * | | | trans | -150.5 | 133.6 | 167.6 | -100.9 | -43 | 0 | 0 | 0 | 111.9 | | |
| 586 | S | 27.7 | Very low | 28.4 | Very low | 116 Ų | 116 | 145.2 Ų | 145.2 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | | | trans | 60.4 | 151.3 | -172 | 78.7 | 0 | 0 | 0 | 0 | 114.8 | | |
| 587 | I | 29.4 | Very low | 28.2 | Very low | 165 Ų | 165 | 142.3 Ų | 142.3 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | | | cis | -108.7 | 139 | 7.3 | -67.1 | 169.5 | 0 | 0 | 0 | 111.1 | | |
| 588 | S | 30.4 | Very low | 28.1 | Very low | 96 Ų | 96 | 140.4 Ų | 140.4 | 67% | 0.671 | 82% | 0.818 | S | S | * | * | | | trans | -90.4 | 144.1 | 179 | 43.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 589 | K | 27.1 | Very low | 27.9 | Very low | 210 Ų | 210 | 142.1 Ų | 142.1 | 91% | 0.913 | 83% | 0.827 | S | S | * | * | | | trans | 28.9 | 99.2 | 148.2 | -58.2 | 176.2 | -176.4 | 174.7 | 0 | 117.9 | | |
| 590 | A | 27.8 | Very low | 28.2 | Very low | 105 Ų | 105 | 137.4 Ų | 137.4 | 87% | 0.868 | 82% | 0.82 | S | S | * | * | | | trans | -138.1 | 130.2 | 150.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 591 | S | 25.4 | Very low | 28.3 | Very low | 111 Ų | 111 | 138.8 Ų | 138.8 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | | | trans | -149.5 | 95.9 | -169.3 | 58.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 592 | T | 29.5 | Very low | 28.2 | Very low | 138 Ų | 138 | 138.1 Ų | 138.1 | 85% | 0.847 | 82% | 0.818 | S | S | * | * | | | trans | -159.8 | 127.7 | 167.9 | 15.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 593 | P | 27.5 | Very low | 27.9 | Very low | 121 Ų | 121 | 135.5 Ų | 135.5 | 79% | 0.786 | 81% | 0.813 | S | S | * | * | | | trans | -101.8 | 140.6 | 166.6 | 35.8 | -28.6 | 0 | 0 | 0 | 111.7 | | |
| 594 | L | 27.4 | Very low | 28.1 | Very low | 177 Ų | 177 | 136.4 Ų | 136.4 | 93% | 0.927 | 81% | 0.808 | S | S | * | * | | | trans | -139.4 | 161.6 | 168.4 | -82.1 | 178.5 | 0 | 0 | 0 | 111.8 | | |
| 595 | I | 24.4 | Very low | 27.9 | Very low | 171 Ų | 171 | 136.2 Ų | 136.2 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | | | trans | -131.6 | 123.3 | -163.4 | -59.8 | 165.9 | 0 | 0 | 0 | 110.4 | | |
| 596 | A | 27.4 | Very low | 28.1 | Very low | 89 Ų | 89 | 137.3 Ų | 137.3 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | | | trans | -172.6 | 127.8 | 156.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 597 | S | 24.7 | Very low | 28.1 | Very low | 116 Ų | 116 | 138.9 Ų | 138.9 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | | | cis | 89.7 | 81 | 37.9 | 78.2 | 0 | 0 | 0 | 0 | 114.9 | | |
| 598 | A | 29.1 | Very low | 28 | Very low | 100 Ų | 100 | 137.6 Ų | 137.6 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | | | trans | -162.5 | 126.6 | 155.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 599 | L | 25.2 | Very low | 27.9 | Very low | 169 Ų | 169 | 139.7 Ų | 139.7 | 89% | 0.885 | 80% | 0.796 | S | S | * | * | | | trans | -135.8 | 169.5 | 158.7 | -103.5 | 86.4 | 0 | 0 | 0 | 105.6 | | |
| 600 | P | 34 | Very low | 27.8 | Very low | 99 Ų | 99 | 139.9 Ų | 139.9 | 64% | 0.643 | 79% | 0.791 | S | S | * | * | | | cis | -126.2 | -169.9 | -36.8 | 38.6 | -22.9 | 0 | 0 | 0 | 110.3 | | |
| 601 | N | 30.6 | Very low | 28 | Very low | 150 Ų | 150 | 140.8 Ų | 140.8 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | | | trans | 168.6 | 112.8 | 134.9 | -88.2 | -26 | 0 | 0 | 0 | 115.3 | | |
| 602 | H | 26.3 | Very low | 28 | Very low | 179 Ų | 179 | 146 Ų | 146 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | | | | 35.5 | 164.3 | 124 | -120.8 | -95.9 | 0 | 0 | 0 | 125.9 | | |
| 603 | V | 27.7 | Very low | 28.1 | Very low | 115 Ų | 115 | 148.2 Ų | 148.2 | 70% | 0.697 | 79% | 0.789 | S | S | * | * | | | trans | 86 | 141.5 | 159.7 | -137.7 | 0 | 0 | 0 | 0 | 120.7 | | |
| 604 | L | 30 | Very low | 28 | Very low | 153 Ų | 153 | 147 Ų | 147 | 80% | 0.801 | 79% | 0.789 | S | S | * | * | | | trans | 71.3 | 115.8 | 170.1 | -52.8 | -179.2 | 0 | 0 | 0 | 116.5 | | |
| 605 | V | 26 | Very low | 28.1 | Very low | 125 Ų | 125 | 145.2 Ų | 145.2 | 76% | 0.758 | 79% | 0.785 | S | S | * | * | | | cis | 73.5 | 91.8 | 25.7 | -166.1 | 0 | 0 | 0 | 0 | 115.1 | | |
| 606 | K | 32.1 | Very low | 28.4 | Very low | 179 Ų | 179 | 142.6 Ų | 142.6 | 78% | 0.778 | 78% | 0.78 | S | S | * | * | | | | -177.9 | 130.6 | 128.1 | -104.4 | 167.8 | -177.2 | 175.3 | 0 | 116.2 | | |
| 607 | Q | 27.5 | Very low | 28.2 | Very low | 148 Ų | 148 | 144 Ų | 144 | 69% | 0.692 | 78% | 0.784 | S | S | * | * | | | trans | 65.3 | 131.8 | 130.5 | -81.5 | 173.5 | -45.7 | 0 | 0 | 124.1 | | |
| 608 | L | 27.6 | Very low | 28.5 | Very low | 139 Ų | 139 | 144.3 Ų | 144.3 | 73% | 0.728 | 78% | 0.783 | S | S | * | * | | | trans | 73.8 | 151.1 | 142.6 | -59.6 | 165.6 | 0 | 0 | 0 | 117.6 | | |
| 609 | N | 29.2 | Very low | 28.4 | Very low | 139 Ų | 139 | 144.7 Ų | 144.7 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | | | cis | -145.8 | 170.3 | -5.3 | -140.9 | -18.3 | 0 | 0 | 0 | 113.8 | | |
| 610 | R | 25.1 | Very low | 28.4 | Very low | 215 Ų | 215 | 142 Ų | 142 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | | | trans | -73.9 | 144.7 | 172 | -64.5 | 169.7 | 172.5 | 155.4 | -4.1 | 112.1 | | |
| 611 | V | 30.3 | Very low | 28.2 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | | | trans | -132.6 | 130 | 138.3 | -179.2 | 0 | 0 | 0 | 0 | 108.3 | | |
| 612 | R | 26.2 | Very low | 28 | Very low | 220 Ų | 220 | 142 Ų | 142 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | | | trans | -108.7 | 136 | 165.3 | -75.4 | 178.4 | 172.7 | 171 | -4.6 | 107.5 | | |
| 613 | H | 31.6 | Very low | 28.1 | Very low | 184 Ų | 184 | 139 Ų | 139 | 85% | 0.852 | 78% | 0.784 | S | S | * | * | | | trans | -120.3 | 133 | 152.1 | -74.5 | -75.8 | 0 | 0 | 0 | 108.3 | | |
| 614 | A | 25.5 | Very low | 28.2 | Very low | 95 Ų | 95 | 141 Ų | 141 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | trans | -142.7 | 126 | 179.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 615 | T | 29.4 | Very low | 28.1 | Very low | 140 Ų | 140 | 144.1 Ų | 144.1 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | | | trans | -147 | 154.5 | 170.8 | 21 | 0 | 0 | 0 | 0 | 107.8 | | |
| 616 | P | 30.7 | Very low | 28.3 | Very low | 116 Ų | 116 | 142.8 Ų | 142.8 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 163 | -138.4 | 35.9 | -37.9 | 0 | 0 | 0 | 115.4 | P618 | P616-P618 WeakPolarHBondContact O-CD 3.48Š|
| 617 | S | 22.7 | Very low | 28 | Very low | 119 Ų | 119 | 141.3 Ų | 141.3 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 137.7 | 164.4 | -40.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 618 | P | 31.8 | Very low | 28 | Very low | 122 Ų | 122 | 139 Ų | 139 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 161.8 | 138.8 | 34.5 | -30.6 | 0 | 0 | 0 | 111 | P616 | P616-P618 WeakPolarHBondContact O-CD 3.48Š|
| 619 | S | 25.9 | Very low | 28.1 | Very low | 108 Ų | 108 | 137.9 Ų | 137.9 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | | | trans | -90.2 | -177.4 | -176.1 | 54.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 620 | C | 26.3 | Very low | 28 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | | | trans | 87.7 | 95.9 | 163.2 | -56.3 | 0 | 0 | 0 | 0 | 118.2 | | |
| 621 | S | 28.6 | Very low | 28.2 | Very low | 115 Ų | 115 | 130.5 Ų | 130.5 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | | 46.7 | 115.5 | 126.4 | -51.6 | 0 | 0 | 0 | 0 | 120.3 | | |
| 622 | P | 28.1 | Very low | 28.2 | Very low | 135 Ų | 135 | 132.6 Ų | 132.6 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | | | trans | -81.3 | 152.9 | 174.6 | 34.8 | -35.2 | 0 | 0 | 0 | 112.9 | | |
| 623 | S | 27.4 | Very low | 28.3 | Very low | 115 Ų | 115 | 126.7 Ų | 126.7 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | trans | -145.1 | 135.5 | 161.4 | -168.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 624 | M | 29.5 | Very low | 28.1 | Very low | 156 Ų | 156 | 124.1 Ų | 124.1 | 77% | 0.768 | 77% | 0.769 | S | S | * | * | | | trans | -7.8 | 124.7 | 163.6 | -55.6 | -100.4 | 70.4 | 0 | 0 | 118 | | |
| 625 | R | 29.3 | Very low | 28.3 | Very low | 219 Ų | 219 | 129.4 Ų | 129.4 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | | | | -167.5 | 164.5 | 94.6 | -106.2 | 179.2 | 176.2 | -177 | -0.8 | 114.1 | | |
| 626 | S | 28.5 | Very low | 28.2 | Very low | 97 Ų | 97 | 127.6 Ų | 127.6 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | | | trans | -89 | 171.6 | -172.9 | -42.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 627 | N | 27.2 | Very low | 28 | Very low | 149 Ų | 149 | 126.6 Ų | 126.6 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | | | trans | 118.7 | 133.4 | 138.2 | -75.3 | 1.7 | 0 | 0 | 0 | 118.4 | | |
| 628 | S | 27.8 | Very low | 28.3 | Very low | 99 Ų | 99 | 127 Ų | 127 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | | | trans | 82.3 | 114.4 | 145.6 | -61.1 | 0 | 0 | 0 | 0 | 119.7 | | |
| 629 | S | 28.1 | Very low | 28.3 | Very low | 115 Ų | 115 | 128.2 Ų | 128.2 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | | | | 71.9 | 146 | 127.5 | 63.3 | 0 | 0 | 0 | 0 | 120.5 | | |
| 630 | A | 27.4 | Very low | 28.4 | Very low | 86 Ų | 86 | 131.1 Ų | 131.1 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | | | cis | -173.1 | -140.6 | -20.4 | 0 | 0 | 0 | 0 | 0 | 105.7 | | |
| 631 | V | 29.1 | Very low | 28.5 | Very low | 113 Ų | 113 | 128.8 Ų | 128.8 | 69% | 0.685 | 74% | 0.742 | S | S | * | * | | | trans | 78.2 | 90.1 | 150.9 | -177.5 | 0 | 0 | 0 | 0 | 116.3 | | |
| 632 | E | 30.2 | Very low | 28.6 | Very low | 168 Ų | 168 | 133.3 Ų | 133.3 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | | | | 91 | 135.5 | 123.6 | -72.8 | 174.3 | -174.7 | 0 | 0 | 123.5 | | |
| 633 | S | 29.5 | Very low | 28.4 | Very low | 97 Ų | 97 | 135.6 Ų | 135.6 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | | | trans | 78.1 | 146.4 | 138.8 | 76.3 | 0 | 0 | 0 | 0 | 119.3 | | |
| 634 | N | 27.8 | Very low | 28.4 | Very low | 130 Ų | 130 | 135.6 Ų | 135.6 | 70% | 0.695 | 74% | 0.735 | S | S | * | * | | | cis | -161.2 | 177.4 | -20.4 | -107.1 | -20.1 | 0 | 0 | 0 | 108.7 | | |
| 635 | Y | 28.6 | Very low | 28.2 | Very low | 206 Ų | 206 | 133.2 Ų | 133.2 | 81% | 0.808 | 73% | 0.734 | S | S | * | * | | | trans | 71.9 | 122.7 | 174.9 | -52.1 | -81.8 | 0 | 0 | 0 | 113.6 | | |
| 636 | S | 27.5 | Very low | 28.3 | Very low | 102 Ų | 102 | 130.5 Ų | 130.5 | 71% | 0.713 | 73% | 0.732 | S | S | * | * | | | cis | 68.4 | 143.7 | 35.6 | 97.9 | 0 | 0 | 0 | 0 | 113.4 | | |
| 637 | C | 27.2 | Very low | 28.3 | Very low | 95 Ų | 95 | 133.1 Ų | 133.1 | 64% | 0.642 | 73% | 0.733 | S | S | * | * | | | cis | -150.8 | -178.2 | -0.2 | -154 | 0 | 0 | 0 | 0 | 109.5 | | |
| 638 | D | 29.4 | Very low | 28.6 | Very low | 127 Ų | 127 | 134.9 Ų | 134.9 | 68% | 0.679 | 74% | 0.736 | S | S | * | * | | | trans | 69.5 | 153.7 | 155.5 | -59.6 | -34.3 | 0 | 0 | 0 | 117.7 | | |
| 639 | Q | 30.1 | Very low | 28.6 | Very low | 147 Ų | 147 | 136 Ų | 136 | 69% | 0.687 | 74% | 0.735 | S | S | * | * | | | cis | -150.7 | 159.1 | 2.8 | -127.6 | 145.4 | 34.5 | 0 | 0 | 111.6 | | |
| 640 | E | 29.7 | Very low | 28.5 | Very low | 170 Ų | 170 | 136.2 Ų | 136.2 | 79% | 0.794 | 74% | 0.735 | S | S | * | * | | | trans | 65.2 | 118.6 | 148.7 | -74.6 | 161.7 | -153.4 | 0 | 0 | 124.3 | | |
| 641 | G | 28.3 | Very low | 28.5 | Very low | 64 Ų | 64 | 135.5 Ų | 135.5 | 66% | 0.66 | 74% | 0.736 | S | S | * | * | | | trans | 85.6 | 139.1 | 134.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 642 | Y | 29.1 | Very low | 28.3 | Very low | 210 Ų | 210 | 136.4 Ų | 136.4 | 82% | 0.824 | 74% | 0.741 | S | S | * | * | | | cis | -144.3 | 138.4 | -8.4 | -89.1 | -95.9 | 0 | 0 | 0 | 106.8 | | |
| 643 | F | 25.2 | Very low | 28.3 | Very low | 183 Ų | 183 | 134.6 Ų | 134.6 | 80% | 0.803 | 74% | 0.744 | S | S | * | * | | | | 44 | 132.5 | 96.5 | -73.4 | -73.2 | 0 | 0 | 0 | 115.2 | | |
| 644 | T | 28 | Very low | 28.1 | Very low | 114 Ų | 114 | 137.6 Ų | 137.6 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | | | cis | -146.6 | 151.2 | 9.5 | 29.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 645 | S | 25.4 | Very low | 28 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | | | trans | -89 | 154 | 145.3 | 57.6 | 0 | 0 | 0 | 0 | 110 | | |
| 646 | M | 30.3 | Very low | 27.8 | Very low | 161 Ų | 161 | 138.1 Ų | 138.1 | 79% | 0.793 | 75% | 0.752 | S | S | * | * | | | trans | -137.6 | 129.9 | 175.7 | -86.3 | -77.8 | -77.7 | 0 | 0 | 109.6 | | |
| 647 | H | 29.3 | Very low | 27.8 | Very low | 152 Ų | 152 | 140 Ų | 140 | 70% | 0.704 | 76% | 0.759 | S | S | * | * | | | trans | -94.4 | 147.8 | 176.2 | -82.3 | -113.4 | 0 | 0 | 0 | 111.5 | D649 | H647-D649 HydrophobicContact CB-CB 4.44Š|
| 648 | H | 31.8 | Very low | 27.6 | Very low | 186 Ų | 186 | 140.2 Ų | 140.2 | 86% | 0.861 | 76% | 0.762 | S | S | * | * | | | trans | -123.3 | 105.6 | 138.7 | -69.6 | -46.3 | 0 | 0 | 0 | 105.1 | | |
| 649 | D | 27.9 | Very low | 27.7 | Very low | 124 Ų | 124 | 141.5 Ų | 141.5 | 66% | 0.663 | 77% | 0.768 | S | S | * | * | | | cis | 82 | 134.9 | 35.4 | -159.1 | 10.3 | 0 | 0 | 0 | 113.6 | H647 | H647-D649 HydrophobicContact CB-CB 4.44Š|
| 650 | C | 26.4 | Very low | 27.6 | Very low | 119 Ų | 119 | 144.4 Ų | 144.4 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | | | trans | 56.9 | 128.1 | 179.3 | -65.6 | 0 | 0 | 0 | 0 | 117.4 | | |
| 651 | G | 27.3 | Very low | 27.5 | Very low | 70 Ų | 70 | 142 Ų | 142 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | | | cis | 177.9 | 152.7 | -4.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 652 | V | 25.7 | Very low | 27.5 | Very low | 133 Ų | 133 | 145.9 Ų | 145.9 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | | | trans | -106.6 | 116.2 | -178.7 | 176.3 | 0 | 0 | 0 | 0 | 110.9 | M654 | V652-M654 PolarHBondContact O-N 3.49Š|
| 653 | P | 29.9 | Very low | 27.6 | Very low | 130 Ų | 130 | 142.3 Ų | 142.3 | 84% | 0.844 | 76% | 0.757 | S | S | * | * | | | trans | -77.6 | 111.8 | 167.9 | -9.2 | 26.4 | 0 | 0 | 0 | 109.8 | | |
| 654 | M | 25.1 | Very low | 28 | Very low | 160 Ų | 160 | 140 Ų | 140 | 79% | 0.788 | 75% | 0.753 | S | S | * | * | | | trans | -98.8 | 137.2 | -174.3 | -143.1 | -176.4 | 73.5 | 0 | 0 | 112.4 | V652 | V652-M654 PolarHBondContact O-N 3.49Š|
| 655 | V | 25.6 | Very low | 28.2 | Very low | 109 Ų | 109 | 138 Ų | 138 | 66% | 0.661 | 76% | 0.755 | S | S | * | * | | | trans | 65.9 | 126 | 162.9 | -159.1 | 0 | 0 | 0 | 0 | 118.1 | | |
| 656 | R | 24.7 | Very low | 28.8 | Very low | 237 Ų | 237 | 138.1 Ų | 138.1 | 89% | 0.894 | 75% | 0.754 | S | S | * | * | | | | 171 | 74.1 | 120.2 | -90.2 | 174.7 | -172.8 | 176.1 | 4.8 | 111.6 | S658 | R656-S658 VanDerWaalsContact C-N 3.28Å; R656-S658 PolarHBondContact O-N 3.26Å; R656-S658 VanDerWaalsContact O-N 3.1Å |
| 657 | V | 26.6 | Very low | 29 | Very low | 143 Ų | 143 | 140.8 Ų | 140.8 | 87% | 0.867 | 76% | 0.755 | S | S | * | * | | | trans | -79.2 | 85.8 | 158.4 | -177.6 | 0 | 0 | 0 | 0 | 107.9 | | |
| 658 | S | 24.9 | Very low | 29.1 | Very low | 99 Ų | 99 | 139.1 Ų | 139.1 | 69% | 0.692 | 75% | 0.751 | S | S | * | * | | | trans | -77.4 | 114.7 | 156.4 | 170.8 | 0 | 0 | 0 | 0 | 107.1 | R656 | R656-S658 VanDerWaalsContact C-N 3.28Å; R656-S658 PolarHBondContact O-N 3.26Å; R656-S658 VanDerWaalsContact O-N 3.1Å |
| 659 | N | 30.5 | Very low | 29.1 | Very low | 154 Ų | 154 | 137.4 Ų | 137.4 | 82% | 0.824 | 75% | 0.747 | S | S | * | * | | | trans | -123.3 | 105 | 159.8 | -128.6 | 11 | 0 | 0 | 0 | 108.4 | | |
| 660 | R | 28.2 | Very low | 29.2 | Very low | 208 Ų | 208 | 142.9 Ų | 142.9 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | | | trans | -72 | 145.6 | 175.6 | -89.7 | 178.9 | 168.4 | 167.8 | -5.5 | 109.5 | | |
| 661 | N | 27.6 | Very low | 29.7 | Very low | 118 Ų | 118 | 142.8 Ų | 142.8 | 63% | 0.631 | 76% | 0.756 | S | S | * | * | | | trans | 65.7 | 133.9 | 136.2 | -70.1 | 28.8 | 0 | 0 | 0 | 121.2 | | |
| 662 | Q | 28.5 | Very low | 29.9 | Very low | 147 Ų | 147 | 148.7 Ų | 148.7 | 69% | 0.687 | 76% | 0.762 | S | S | * | * | | | trans | 74.5 | 142.2 | 137.4 | -65.4 | 171.1 | -96.5 | 0 | 0 | 117.4 | | |
| 663 | E | 31.1 | Very low | 30.3 | Very low | 134 Ų | 134 | 149 Ų | 149 | 63% | 0.626 | 75% | 0.754 | S | S | * | * | | | cis | -150.2 | 153.9 | 3.1 | -127.7 | 172.3 | 118.8 | 0 | 0 | 115.1 | | |
| 664 | N | 33.7 | Very low | 30.5 | Very low | 135 Ų | 135 | 150.7 Ų | 150.7 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | | | trans | 47.6 | 126.6 | 152.1 | -56.6 | -26.3 | 0 | 0 | 0 | 122.4 | | |
| 665 | G | 32.5 | Very low | 30.8 | Very low | 71 Ų | 71 | 148 Ų | 148 | 73% | 0.732 | 76% | 0.759 | S | S | * | * | | | trans | -89.6 | -122.1 | 158.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 666 | P | 37.4 | Very low | 31 | Very low | 111 Ų | 111 | 145.7 Ų | 145.7 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | | | cis | -141.2 | -166.4 | 8.4 | 31.2 | -5.3 | 0 | 0 | 0 | 115.4 | | |
| 667 | R | 34.2 | Very low | 31.5 | Very low | 216 Ų | 216 | 146 Ų | 146 | 82% | 0.815 | 76% | 0.761 | S | S | * | * | | | trans | 81.7 | 142.2 | 160 | -54.2 | -166.8 | -173.2 | -167 | 2 | 118.4 | | |
| 668 | D | 31.5 | Very low | 31.6 | Very low | 118 Ų | 118 | 142.2 Ų | 142.2 | 63% | 0.631 | 75% | 0.751 | S | S | * | * | | | cis | -163.9 | 158.7 | -13.4 | -112.2 | -32.1 | 0 | 0 | 0 | 114.7 | | |
| 669 | I | 32.7 | Very low | 31.9 | Very low | 149 Ų | 149 | 149.5 Ų | 149.5 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | | | trans | 59.8 | 151.6 | 144.2 | -66.7 | 164 | 0 | 0 | 0 | 120.7 | | |
| 670 | R | 29.1 | Very low | 31.8 | Very low | 239 Ų | 239 | 147.7 Ų | 147.7 | 90% | 0.902 | 76% | 0.763 | S | S | * | * | | | | -165.3 | 173.3 | -56.2 | -112.1 | -168.8 | 173.8 | -174.1 | -0.5 | 109.5 | | |
| 671 | P | 36 | Very low | 32 | Very low | 117 Ų | 117 | 146.2 Ų | 146.2 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | | | trans | -121.3 | 173.2 | -161.4 | 44.2 | -37.2 | 0 | 0 | 0 | 118.7 | | |
| 672 | K | 32.8 | Very low | 32.1 | Very low | 195 Ų | 195 | 144.5 Ų | 144.5 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | | | trans | -172.2 | 144.6 | 148.5 | -98.4 | -178.9 | 176.7 | -166.2 | 0 | 107.4 | | |
| 673 | E | 33.1 | Very low | 32 | Very low | 139 Ų | 139 | 147.1 Ų | 147.1 | 65% | 0.65 | 78% | 0.781 | S | S | * | * | | | cis | 77 | 112.2 | 34.8 | -71.6 | -149.1 | 125.2 | 0 | 0 | 116.8 | R234 | R234-E673 IonicContact CZ-OE1 3.93Å; R234-E673 IonicContact NE-OE1 3.14Å; R234-E673 IonicContact NH2-OE1 2.77Å; R234-E673 PolarHBondContact NH2-OE1 3.47Å |
| 674 | D | 34.2 | Very low | 32.1 | Very low | 165 Ų | 165 | 150.2 Ų | 150.2 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | | | | -170.3 | 179.3 | 126.3 | -103 | -41.1 | 0 | 0 | 0 | 114.4 | | |
| 675 | A | 32.1 | Very low | 31.7 | Very low | 103 Ų | 103 | 149 Ų | 149 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | | | trans | -65.1 | 175.4 | -163.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 676 | G | 30.3 | Very low | 31.7 | Very low | 62 Ų | 62 | 152.2 Ų | 152.2 | 64% | 0.639 | 81% | 0.807 | S | S | * | * | | | cis | 170.7 | -178.5 | -1.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 677 | Y | 33.5 | Very low | 31.4 | Very low | 242 Ų | 242 | 156.4 Ų | 156.4 | 95% | 0.949 | 81% | 0.814 | S | S | * | * | | | trans | 63 | 146.8 | 179.6 | -62.2 | -90.7 | 0 | 0 | 0 | 118 | | |
| 678 | G | 29.1 | Very low | 31.1 | Very low | 64 Ų | 64 | 152 Ų | 152 | 66% | 0.66 | 81% | 0.813 | S | S | * | * | | | cis | 134.2 | 96.7 | -19 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 679 | R | 32.6 | Very low | 31.2 | Very low | 253 Ų | 253 | 155 Ų | 155 | 96% | 0.955 | 83% | 0.829 | S | S | * | * | | | trans | -167.6 | 153.7 | 158.5 | -110.1 | 169.1 | -162.9 | -140.7 | 1.7 | 112.7 | | |
| 680 | S | 27.3 | Very low | 31 | Very low | 116 Ų | 116 | 152.9 Ų | 152.9 | 81% | 0.811 | 83% | 0.827 | S | S | * | * | | | trans | -151.5 | 138 | 179.5 | -51.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 681 | L | 33 | Very low | 30.9 | Very low | 177 Ų | 177 | 150.5 Ų | 150.5 | 93% | 0.927 | 83% | 0.826 | S | S | * | * | | | trans | -162.1 | 167.1 | 168.7 | -75.7 | -178.7 | 0 | 0 | 0 | 108.6 | | |
| 682 | A | 28.9 | Very low | 30.6 | Very low | 81 Ų | 81 | 150.9 Ų | 150.9 | 67% | 0.669 | 83% | 0.831 | S | S | * | * | | | | -162.9 | 147.2 | -55 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 683 | F | 27.2 | Very low | 30.4 | Very low | 202 Ų | 202 | 147 Ų | 147 | 89% | 0.886 | 83% | 0.829 | S | S | * | * | | | trans | 12.9 | 133.5 | 162.9 | -76.3 | -92.9 | 0 | 0 | 0 | 122.4 | | |
| 684 | Q | 32.6 | Very low | 30.5 | Very low | 199 Ų | 199 | 146.8 Ų | 146.8 | 93% | 0.93 | 84% | 0.837 | S | S | * | * | | | | -158.1 | 171.1 | 116.3 | -112.4 | 179 | 30.2 | 0 | 0 | 113 | | |
| 685 | S | 26.2 | Very low | 30.5 | Very low | 111 Ų | 111 | 144.8 Ų | 144.8 | 78% | 0.776 | 83% | 0.833 | S | S | * | * | | | trans | -130.2 | 156.7 | -159.6 | 59 | 0 | 0 | 0 | 0 | 114.6 | | |
| 686 | C | 31.2 | Very low | 30.5 | Very low | 137 Ų | 137 | 150.9 Ų | 150.9 | 93% | 0.926 | 84% | 0.835 | S | S | * | * | | | trans | -153.9 | 167.7 | 159 | -131.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 687 | K | 31.1 | Very low | 30.4 | Very low | 199 Ų | 199 | 152.1 Ų | 152.1 | 87% | 0.865 | 84% | 0.84 | S | S | * | * | | | trans | -104.3 | 157.5 | -157.5 | -66.6 | 177.7 | -178.8 | 175.9 | 0 | 115.3 | | |
| 688 | P | 29.6 | Very low | 30.5 | Very low | 123 Ų | 123 | 146.7 Ų | 146.7 | 80% | 0.799 | 83% | 0.832 | S | S | * | * | | | trans | -84.8 | 168.1 | 174.3 | 36 | -36.8 | 0 | 0 | 0 | 113.9 | | |
| 689 | L | 31.9 | Very low | 30.5 | Very low | 182 Ų | 182 | 155.3 Ų | 155.3 | 95% | 0.953 | 85% | 0.845 | S | S | * | * | | | trans | -127.6 | 153.7 | 171.3 | -89.8 | 167.1 | 0 | 0 | 0 | 111.2 | | |
| 690 | S | 28.9 | Very low | 30.3 | Very low | 104 Ų | 104 | 150.6 Ų | 150.6 | 73% | 0.727 | 84% | 0.838 | S | S | * | * | | | trans | -117.4 | 152.7 | -160.4 | 53.7 | 0 | 0 | 0 | 0 | 115.9 | | |
| 691 | H | 27.8 | Very low | 30.6 | Very low | 190 Ų | 190 | 154.5 Ų | 154.5 | 88% | 0.88 | 84% | 0.843 | S | S | * | * | | | trans | 4.5 | 138.5 | 163.4 | -52.4 | -73.6 | 0 | 0 | 0 | 121.5 | | |
| 692 | S | 29.5 | Very low | 30.5 | Very low | 125 Ų | 125 | 151.8 Ų | 151.8 | 87% | 0.874 | 84% | 0.839 | S | S | * | * | | | trans | -140 | 160.1 | 131.9 | 65.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 693 | S | 28.7 | Very low | 30.7 | Very low | 113 Ų | 113 | 159.2 Ų | 159.2 | 79% | 0.79 | 85% | 0.85 | S | S | * | * | | | trans | -138.1 | 141.6 | -172.9 | 65 | 0 | 0 | 0 | 0 | 111.5 | | |
| 694 | T | 34.5 | Very low | 30.8 | Very low | 135 Ų | 135 | 157 Ų | 157 | 83% | 0.828 | 85% | 0.847 | S | S | * | * | | | trans | -139.4 | 118.9 | 178.7 | 38.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 695 | P | 33.7 | Very low | 31 | Very low | 122 Ų | 122 | 152.2 Ų | 152.2 | 79% | 0.792 | 83% | 0.833 | S | S | * | * | | | trans | -81.3 | 146.9 | 170.3 | 33 | -32.8 | 0 | 0 | 0 | 111.1 | | |
| 696 | Y | 32.4 | Very low | 31.5 | Very low | 231 Ų | 231 | 155.6 Ų | 155.6 | 91% | 0.906 | 84% | 0.837 | S | S | * | * | | | trans | -80.7 | 118.6 | -178.4 | -126.1 | -95.6 | 0 | 0 | 0 | 111.4 | | |
| 697 | A | 29.9 | Very low | 31.4 | Very low | 89 Ų | 89 | 158 Ų | 158 | 74% | 0.736 | 83% | 0.832 | S | S | * | * | | | trans | -148.4 | 61.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 698 | T | 33.8 | Very low | 31.3 | Very low | 128 Ų | 128 | 154 Ų | 154 | 79% | 0.785 | 83% | 0.827 | S | S | * | * | | | trans | -165.1 | 110 | 162.1 | 10.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 699 | W | 29.7 | Very low | 31.3 | Very low | 245 Ų | 245 | 155.1 Ų | 155.1 | 93% | 0.928 | 82% | 0.822 | S | S | * | * | | | trans | -157.6 | 64.5 | 162 | -142.6 | 82.1 | 0 | 0 | 0 | 113.7 | | |
| 700 | L | 29.1 | Very low | 31.3 | Very low | 153 Ų | 153 | 154.6 Ų | 154.6 | 80% | 0.801 | 81% | 0.812 | S | S | * | * | | | trans | -161.9 | 65.6 | 168.5 | -117.3 | 173 | 0 | 0 | 0 | 113.5 | | |
| 701 | Q | 32.8 | Very low | 31.4 | Very low | 198 Ų | 198 | 158.7 Ų | 158.7 | 93% | 0.925 | 82% | 0.822 | S | S | * | * | | | trans | -176.7 | 143.3 | 163.5 | -101.4 | 155.6 | 48 | 0 | 0 | 107.1 | | |
| 702 | S | 31.9 | Very low | 31.5 | Very low | 120 Ų | 120 | 153.3 Ų | 153.3 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | | | cis | -139.8 | -176.3 | 7.2 | 65.7 | 0 | 0 | 0 | 0 | 112.4 | | |
| 703 | R | 32.5 | Very low | 31.6 | Very low | 237 Ų | 237 | 153.2 Ų | 153.2 | 89% | 0.894 | 80% | 0.804 | S | S | * | * | | | trans | -96.2 | 130.3 | -165.1 | -74.2 | 175.6 | 173 | 171.8 | -3.2 | 114.9 | | |
| 704 | N | 30.1 | Very low | 31.7 | Very low | 157 Ų | 157 | 154.4 Ų | 154.4 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | | | trans | 66.1 | 177.1 | 135.3 | -114.4 | -4.5 | 0 | 0 | 0 | 118.5 | | |
| 705 | P | 36.6 | Very low | 31.5 | Very low | 98 Ų | 98 | 151.3 Ų | 151.3 | 64% | 0.636 | 80% | 0.801 | S | S | * | * | | | trans | -134.8 | 167.7 | -131 | 41.8 | -22.8 | 0 | 0 | 0 | 116.9 | | |
| 706 | Q | 35.4 | Very low | 31.4 | Very low | 181 Ų | 181 | 157.3 Ų | 157.3 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | | | trans | -165.4 | 126 | 148.3 | -113.8 | 163.1 | 48.3 | 0 | 0 | 116.8 | | |
| 707 | K | 29.1 | Very low | 31.6 | Very low | 189 Ų | 189 | 155.8 Ų | 155.8 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | | | trans | 36.4 | 147.5 | 133.4 | -69.9 | -175.2 | 175.7 | 179.2 | 0 | 124.1 | | |
| 708 | C | 30.2 | Very low | 32 | Very low | 113 Ų | 113 | 157.3 Ų | 157.3 | 76% | 0.764 | 81% | 0.808 | S | S | * | * | | | trans | 77.5 | 158.8 | 151.5 | -69.2 | 0 | 0 | 0 | 0 | 119.4 | | |
| 709 | Q | 29.7 | Very low | 32 | Very low | 147 Ų | 147 | 155.5 Ų | 155.5 | 69% | 0.687 | 80% | 0.801 | S | S | * | * | | | | -168 | 145.4 | -51 | -123.3 | -165.5 | 46.2 | 0 | 0 | 109.9 | | |
| 710 | K | 30.3 | Very low | 32.2 | Very low | 172 Ų | 172 | 151 Ų | 151 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | | | trans | 41.9 | 124.1 | 153.8 | -63.6 | 178.4 | -179.6 | 175.1 | 0 | 121 | | |
| 711 | M | 31.5 | Very low | 32.5 | Very low | 190 Ų | 190 | 155.1 Ų | 155.1 | 94% | 0.936 | 80% | 0.795 | S | S | * | * | | | | 161.1 | 153.7 | 126.7 | -88.7 | -164 | -68.1 | 0 | 0 | 109.6 | | |
| 712 | A | 29.7 | Very low | 32.5 | Very low | 76 Ų | 76 | 153.9 Ų | 153.9 | 63% | 0.628 | 79% | 0.789 | S | S | * | * | | | cis | -170.2 | -179.1 | -23.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 713 | T | 32.4 | Very low | 32.7 | Very low | 124 Ų | 124 | 151.9 Ų | 151.9 | 76% | 0.761 | 79% | 0.787 | S | S | * | * | | | trans | 84.3 | 107.1 | 147.7 | -51 | 0 | 0 | 0 | 0 | 121.1 | | |
| 714 | V | 30.2 | Very low | 32.7 | Very low | 137 Ų | 137 | 147.9 Ų | 147.9 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | | | trans | 44.2 | 136.5 | 134.4 | -172.7 | 0 | 0 | 0 | 0 | 120.5 | | |
| 715 | G | 29.8 | Very low | 32.8 | Very low | 70 Ų | 70 | 146.9 Ų | 146.9 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | | | cis | 153 | -169.6 | -2.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 716 | R | 33.2 | Very low | 32.6 | Very low | 248 Ų | 248 | 145.3 Ų | 145.3 | 94% | 0.936 | 79% | 0.785 | S | S | * | * | | | trans | 84.1 | 111.1 | 172.2 | -62.3 | -168.5 | 173.7 | -147.2 | -1.8 | 120.9 | | |
| 717 | K | 36.8 | Very low | 32.4 | Very low | 200 Ų | 200 | 142.8 Ų | 142.8 | 87% | 0.87 | 78% | 0.782 | S | S | * | * | | | trans | -71.3 | 177.3 | 145.1 | -82.1 | -177.1 | 177 | -177.4 | 0 | 110.1 | | |
| 718 | P | 37.4 | Very low | 32.3 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | | | cis | -142.3 | -153.8 | 29.6 | 42.9 | -18.2 | 0 | 0 | 0 | 113.8 | | |
| 719 | S | 34 | Very low | 32.2 | Very low | 91 Ų | 91 | 141.3 Ų | 141.3 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | | | cis | -159 | 144.6 | 5.5 | -140.7 | 0 | 0 | 0 | 0 | 115.6 | | |
| 720 | Q | 33 | Very low | 32 | Very low | 150 Ų | 150 | 145 Ų | 145 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | | | | 44.1 | 121.2 | 125.7 | -172.3 | -173.4 | 19.8 | 0 | 0 | 122.6 | | |
| 721 | R | 36.4 | Very low | 31.8 | Very low | 240 Ų | 240 | 142.1 Ų | 142.1 | 91% | 0.906 | 78% | 0.781 | S | S | * | * | | | | -163.3 | 170.1 | 120.3 | -109.2 | 174.7 | -170.5 | -139 | 0.3 | 113.8 | | |
| 722 | H | 33.4 | Very low | 31.6 | Very low | 172 Ų | 172 | 138.8 Ų | 138.8 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | | | trans | -87.2 | 161 | -159.4 | -58.2 | -85.2 | 0 | 0 | 0 | 116.5 | | |
| 723 | G | 34.3 | Very low | 31.5 | Very low | 77 Ų | 77 | 141.8 Ų | 141.8 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | | | trans | -170.5 | 132.6 | 155.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 724 | N | 32.6 | Very low | 31.2 | Very low | 154 Ų | 154 | 144.4 Ų | 144.4 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | | | trans | -157.2 | 170.4 | -174.4 | -164.7 | 9.7 | 0 | 0 | 0 | 111.8 | | |
| 725 | T | 33.6 | Very low | 31.4 | Very low | 135 Ų | 135 | 143 Ų | 143 | 83% | 0.828 | 78% | 0.776 | S | S | * | * | | | trans | 70.7 | 145.5 | -174.3 | 75.8 | 0 | 0 | 0 | 0 | 114.1 | | |
| 726 | G | 31.7 | Very low | 31.3 | Very low | 66 Ų | 66 | 150.2 Ų | 150.2 | 68% | 0.68 | 78% | 0.781 | S | S | * | * | | | cis | -157.2 | -172.6 | -5 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 727 | T | 31.1 | Very low | 31.2 | Very low | 128 Ų | 128 | 144.3 Ų | 144.3 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | | | cis | -167.9 | 157.8 | 3.7 | -4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 728 | I | 27.9 | Very low | 31 | Very low | 137 Ų | 137 | 139.5 Ų | 139.5 | 70% | 0.703 | 77% | 0.77 | S | S | * | * | | | trans | 74.7 | 87.5 | 148.1 | -64.2 | 164.4 | 0 | 0 | 0 | 119.2 | | |
| 729 | N | 26.5 | Very low | 30.5 | Very low | 133 Ų | 133 | 137.2 Ų | 137.2 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | | | | 77.1 | 135.5 | 110.9 | -68 | -28.4 | 0 | 0 | 0 | 125.6 | | |
| 730 | R | 25.5 | Very low | 30.3 | Very low | 226 Ų | 226 | 141.4 Ų | 141.4 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | | | trans | 93.9 | 147.4 | 135.3 | -83.5 | 175.9 | -175.9 | -167.2 | 0.5 | 119.3 | | |
| 731 | P | 27.4 | Very low | 30 | Very low | 110 Ų | 110 | 141.7 Ų | 141.7 | 71% | 0.714 | 79% | 0.785 | S | S | * | * | | | | -141.6 | 175.3 | -115.3 | 42.8 | -23.8 | 0 | 0 | 0 | 117.3 | | |
| 732 | V | 26 | Very low | 29.7 | Very low | 120 Ų | 120 | 136.6 Ų | 136.6 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | trans | 27.5 | 112.7 | 144.1 | -177.9 | 0 | 0 | 0 | 0 | 118.3 | | |
| 733 | V | 27.5 | Very low | 29.4 | Very low | 139 Ų | 139 | 133.5 Ų | 133.5 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | | | trans | -136.6 | 127.4 | 135.7 | -178.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 734 | F | 27.3 | Very low | 29.2 | Very low | 179 Ų | 179 | 137.8 Ų | 137.8 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | | | trans | -107.6 | 144.9 | 165.5 | -90.5 | -81.8 | 0 | 0 | 0 | 109.4 | | |
| 735 | P | 33.7 | Very low | 28.9 | Very low | 108 Ų | 108 | 136.9 Ų | 136.9 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | | | | -111.4 | 136.1 | 127.7 | 34.1 | -30.1 | 0 | 0 | 0 | 109.2 | | |
| 736 | R | 27.9 | Very low | 28.8 | Very low | 221 Ų | 221 | 140.9 Ų | 140.9 | 83% | 0.834 | 77% | 0.767 | S | S | * | * | | | cis | 64.5 | 129.8 | 45.8 | -67.9 | -163.2 | 168.8 | -177.9 | -2.3 | 112.9 | | |
| 737 | T | 31.5 | Very low | 28.6 | Very low | 125 Ų | 125 | 146.3 Ų | 146.3 | 77% | 0.767 | 78% | 0.775 | S | S | * | * | | | cis | -163.1 | 163.2 | -5.6 | 3.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 738 | A | 32.1 | Very low | 28.3 | Very low | 98 Ų | 98 | 143.7 Ų | 143.7 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | | | trans | 72.8 | 139.6 | 155.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 739 | G | 27.5 | Very low | 28.4 | Very low | 73 Ų | 73 | 145.2 Ų | 145.2 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | | | cis | 118.9 | 133.7 | -19.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 740 | L | 30.4 | Very low | 28.3 | Very low | 179 Ų | 179 | 144.7 Ų | 144.7 | 94% | 0.937 | 79% | 0.788 | S | S | * | * | | | trans | -156.2 | 138.6 | 149.4 | -113.4 | 168.2 | 0 | 0 | 0 | 108.8 | | |
| 741 | Q | 26.3 | Very low | 28.5 | Very low | 155 Ų | 155 | 138.5 Ų | 138.5 | 72% | 0.724 | 79% | 0.786 | S | S | * | * | | | trans | -133.5 | 124.1 | -171.5 | 176.8 | -175.9 | 43.8 | 0 | 0 | 108.2 | I743 | Q741-I743 HydrophobicContact CG-CD1 4.23Å; Q741-I743 HydrophobicContact CG-CG1 4.04Å |
| 742 | V | 29.4 | Very low | 28.3 | Very low | 133 Ų | 133 | 136.8 Ų | 136.8 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | | | trans | -119.1 | 99.2 | 171.7 | -178.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 743 | I | 26.5 | Very low | 28.5 | Very low | 107 Ų | 107 | 137.6 Ų | 137.6 | 55% | 0.549 | 79% | 0.789 | S | S | . | * | | | trans | -83.8 | 128.1 | 170.1 | -65.7 | 157.2 | 0 | 0 | 0 | 108 | Q741 | Q741-I743 HydrophobicContact CG-CD1 4.23Å; Q741-I743 HydrophobicContact CG-CG1 4.04Å |
| 744 | L | 31.8 | Very low | 28.5 | Very low | 168 Ų | 168 | 136.7 Ų | 136.7 | 88% | 0.88 | 78% | 0.783 | S | S | * | * | | | trans | -134 | 99.5 | 155.6 | -91.1 | 177.3 | 0 | 0 | 0 | 110.9 | | |
| 745 | N | 26.3 | Very low | 28.4 | Very low | 134 Ų | 134 | 132.9 Ų | 132.9 | 72% | 0.717 | 78% | 0.778 | S | S | * | * | | | trans | -68.5 | 141.6 | 162.1 | -73.5 | -58 | 0 | 0 | 0 | 110.1 | | |
| 746 | R | 30.7 | Very low | 28.2 | Very low | 219 Ų | 219 | 137 Ų | 137 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | | | | -174.5 | 120.1 | 122.9 | -104.2 | 166.6 | 178.8 | 178.3 | 1.5 | 114.1 | | |
| 747 | Q | 27.1 | Very low | 28.4 | Very low | 181 Ų | 181 | 131.7 Ų | 131.7 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | | | | 20.4 | 119.1 | 123.1 | -60.5 | 161 | -33.2 | 0 | 0 | 116.9 | | |
| 748 | G | 26 | Very low | 28.4 | Very low | 73 Ų | 73 | 129.2 Ų | 129.2 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | | | trans | -169.3 | 76.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 749 | L | 28.3 | Very low | 28.1 | Very low | 169 Ų | 169 | 134.7 Ų | 134.7 | 89% | 0.885 | 78% | 0.784 | S | S | * | * | | | trans | 42.5 | 108.4 | 144.9 | -59.7 | 174.8 | 0 | 0 | 0 | 120.7 | | |
| 750 | S | 25.4 | Very low | 28.2 | Very low | 121 Ų | 121 | 139.9 Ų | 139.9 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | | | trans | -45.7 | 134.7 | 142.5 | 142.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 751 | A | 29.1 | Very low | 28 | Very low | 97 Ų | 97 | 135.9 Ų | 135.9 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | | | trans | -145.2 | 89.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 752 | A | 23.3 | Very low | 28.1 | Very low | 74 Ų | 74 | 134.4 Ų | 134.4 | 61% | 0.612 | 78% | 0.779 | S | S | * | * | | | trans | -79.5 | 140.5 | 155.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | V754 | A752-V754 PolarHBondContact O-N 2.9Š|
| 753 | P | 31.5 | Very low | 28.1 | Very low | 137 Ų | 137 | 131.7 Ų | 131.7 | 89% | 0.89 | 78% | 0.778 | S | S | * | * | | | trans | -70.9 | 92.5 | 172.5 | 29.1 | -32.9 | 0 | 0 | 0 | 109.8 | | |
| 754 | V | 26.3 | Very low | 28.2 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | trans | -70.6 | 140.8 | 173.4 | 169.4 | 0 | 0 | 0 | 0 | 110.1 | A752 | A752-V754 PolarHBondContact O-N 2.9Š|
| 755 | C | 25.2 | Very low | 28.2 | Very low | 99 Ų | 99 | 133.2 Ų | 133.2 | 67% | 0.669 | 78% | 0.782 | S | S | * | * | | | trans | 2.5 | 124.7 | 164.3 | -54.1 | 0 | 0 | 0 | 0 | 118.8 | | |
| 756 | H | 30.3 | Very low | 28.5 | Very low | 194 Ų | 194 | 132.2 Ų | 132.2 | 90% | 0.898 | 78% | 0.78 | S | S | * | * | | | | -117.1 | 101.4 | 128.4 | -90.1 | -69.5 | 0 | 0 | 0 | 110.2 | G758 | H756-G758 PolarHBondContact O-N 2.87Š|
| 757 | S | 31 | Very low | 28.5 | Very low | 109 Ų | 109 | 126.7 Ų | 126.7 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | | | trans | -67.2 | 113 | 153.9 | 36.9 | 0 | 0 | 0 | 0 | 107.7 | | |
| 758 | G | 31.2 | Very low | 28.7 | Very low | 73 Ų | 73 | 123.9 Ų | 123.9 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | | | trans | -122.4 | 79.1 | -169.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | H756 | H756-G758 PolarHBondContact O-N 2.87Š|
| 759 | Y | 27.1 | Very low | 29 | Very low | 214 Ų | 214 | 126.7 Ų | 126.7 | 84% | 0.839 | 76% | 0.76 | S | S | * | * | | | trans | -47 | 154.7 | 177.7 | -106 | -94 | 0 | 0 | 0 | 115.8 | | |
| 760 | K | 28.6 | Very low | 29.9 | Very low | 181 Ų | 181 | 127.2 Ų | 127.2 | 79% | 0.787 | 76% | 0.758 | S | S | * | * | | | trans | 80.5 | 114.6 | 166.4 | -61.3 | 163.4 | -175.7 | -179.2 | 0 | 114.8 | | |
| 761 | S | 27.3 | Very low | 30.8 | Very low | 95 Ų | 95 | 125.7 Ų | 125.7 | 66% | 0.664 | 75% | 0.745 | S | S | * | * | | | cis | 83.4 | 157.4 | 40.5 | 84.3 | 0 | 0 | 0 | 0 | 114.5 | | |
| 762 | C | 26.8 | Very low | 30.8 | Very low | 125 Ų | 125 | 127.4 Ų | 127.4 | 85% | 0.845 | 75% | 0.746 | S | S | * | * | | | trans | 66.9 | 96.9 | 171.3 | -53.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 763 | G | 29.8 | Very low | 31.4 | Very low | 76 Ų | 76 | 132.3 Ų | 132.3 | 78% | 0.784 | 75% | 0.753 | S | S | * | * | | | trans | -162.8 | 57.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | N765 | G763-N765 PolarHBondContact O-N 3.49Š|
| 764 | H | 29.1 | Very low | 31.5 | Very low | 167 Ų | 167 | 131.3 Ų | 131.3 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | | | trans | -59 | 127.4 | 176.5 | -83.9 | -83.9 | 0 | 0 | 0 | 110.7 | | |
| 765 | N | 31.4 | Very low | 31.8 | Very low | 139 Ų | 139 | 131.3 Ų | 131.3 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | | | | -179.3 | 120.2 | 123.9 | -81.3 | -18.5 | 0 | 0 | 0 | 105.6 | G763 | G763-N765 PolarHBondContact O-N 3.49Š|
| 766 | V | 32.6 | Very low | 32.3 | Very low | 113 Ų | 113 | 133.4 Ų | 133.4 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | | | cis | 48 | 77.7 | 27.4 | -169 | 0 | 0 | 0 | 0 | 111 | | |
| 767 | T | 30.3 | Very low | 32.5 | Very low | 104 Ų | 104 | 130.2 Ų | 130.2 | 64% | 0.638 | 74% | 0.744 | S | S | * | * | | | trans | -162.8 | 110.9 | 135.9 | 13.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 768 | N | 31.8 | Very low | 32.7 | Very low | 121 Ų | 121 | 129.9 Ų | 129.9 | 65% | 0.647 | 74% | 0.739 | S | S | * | * | | | | 65.2 | 114.7 | 123.8 | -57.6 | 7.6 | 0 | 0 | 0 | 121.7 | | |
| 769 | N | 33.6 | Very low | 32.8 | Very low | 133 Ų | 133 | 132.1 Ų | 132.1 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | | | | 73.5 | 118.2 | 119.5 | -53.8 | -1.4 | 0 | 0 | 0 | 120.4 | | |
| 770 | E | 45.4 | Very low | 33.1 | Very low | 179 Ų | 179 | 126.9 Ų | 126.9 | 84% | 0.836 | 73% | 0.733 | S | S | * | * | | | | 40.5 | 169.4 | 101.7 | -91.8 | -158.6 | 143.9 | 0 | 0 | 121.8 | | |
| 771 | P | 44.7 | Very low | 33.5 | Very low | 90 Ų | 90 | 124.1 Ų | 124.1 | 58% | 0.584 | 73% | 0.732 | S | S | * | * | | | cis | -137.5 | 175.1 | -20.5 | 34.6 | -16.6 | 0 | 0 | 0 | 114.5 | | |
| 772 | T | 30.2 | Very low | 34.1 | Very low | 133 Ų | 133 | 125.9 Ų | 125.9 | 82% | 0.816 | 74% | 0.738 | S | S | * | * | | | trans | -155 | 111.8 | 155.5 | 18.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 773 | K | 36 | Very low | 34.5 | Very low | 177 Ų | 177 | 124.1 Ų | 124.1 | 77% | 0.77 | 73% | 0.732 | S | S | * | * | | | | 73.9 | 138.6 | 68.3 | -74.2 | -175.1 | 173.1 | -177.2 | 0 | 113.4 | | |
| 774 | V | 33.1 | Very low | 34.9 | Very low | 115 Ų | 115 | 126.7 Ų | 126.7 | 70% | 0.697 | 74% | 0.735 | S | S | * | * | | | cis | -144.7 | 157.9 | -1.2 | -119.6 | 0 | 0 | 0 | 0 | 108.4 | | |
| 775 | P | 32.5 | Very low | 34.9 | Very low | 121 Ų | 121 | 123.1 Ų | 123.1 | 79% | 0.786 | 73% | 0.729 | S | S | * | * | S | Bend | | -112 | 161.4 | 67.8 | -2.5 | 24.4 | 0 | 0 | 0 | 112.8 | | |
| 776 | I | 36.3 | Very low | 35 | Very low | 143 Ų | 143 | 125 Ų | 125 | 73% | 0.733 | 74% | 0.735 | S | S | * | * | S | Bend | cis | -151.7 | 149.2 | -0.2 | -128.5 | 157.2 | 0 | 0 | 0 | 108 | | |
| 777 | V | 34.5 | Very low | 34.8 | Very low | 126 Ų | 126 | 127.7 Ų | 127.7 | 76% | 0.764 | 74% | 0.741 | S | S | * | * | | | trans | 64.4 | 133 | 167.3 | 162.8 | 0 | 0 | 0 | 0 | 118.5 | | |
| 778 | P | 35.4 | Very low | 34.9 | Very low | 102 Ų | 102 | 130.7 Ų | 130.7 | 66% | 0.662 | 75% | 0.751 | S | S | * | * | | | cis | -134.6 | -170.5 | -24.4 | 39.7 | -21 | 0 | 0 | 0 | 115.1 | | |
| 779 | T | 31.6 | Very low | 34.8 | Very low | 120 Ų | 120 | 128.1 Ų | 128.1 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | | | trans | 70.2 | 110.5 | 159.5 | 48.3 | 0 | 0 | 0 | 0 | 122.4 | | |
| 780 | S | 34.7 | Very low | 34.4 | Very low | 104 Ų | 104 | 131.4 Ų | 131.4 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | | | trans | 59.6 | 145.7 | 132.2 | 63.7 | 0 | 0 | 0 | 0 | 122.2 | | |
| 781 | T | 36.8 | Very low | 33.6 | Very low | 124 Ų | 124 | 132.8 Ų | 132.8 | 76% | 0.761 | 76% | 0.764 | S | S | * | * | | | cis | -167.7 | 150.7 | -10.1 | 14.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 782 | V | 38.6 | Very low | 32.8 | Very low | 131 Ų | 131 | 133.1 Ų | 133.1 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | | | trans | 59.4 | 121 | 154.3 | 177.8 | 0 | 0 | 0 | 0 | 117.4 | | |
| 783 | A | 36.3 | Very low | 32.8 | Very low | 88 Ų | 88 | 135.5 Ų | 135.5 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | | | cis | 75.9 | 160.1 | 44.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 784 | P | 38.8 | Very low | 32.5 | Very low | 131 Ų | 131 | 132.5 Ų | 132.5 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | | | cis | -133.5 | -155.7 | -1 | 44.7 | -26 | 0 | 0 | 0 | 114.5 | | |
| 785 | S | 28.7 | Very low | 32.3 | Very low | 91 Ų | 91 | 131.5 Ų | 131.5 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | | | trans | -110.8 | 161.7 | -171.2 | 59.1 | 0 | 0 | 0 | 0 | 116.6 | | |
| 786 | M | 34 | Very low | 32.2 | Very low | 178 Ų | 178 | 131.1 Ų | 131.1 | 88% | 0.877 | 77% | 0.768 | S | S | * | * | | | trans | -139.1 | 133.1 | 146.9 | -67.1 | -172.2 | 175.9 | 0 | 0 | 107.7 | | |
| 787 | Q | 27.7 | Very low | 32 | Very low | 171 Ų | 171 | 133.9 Ų | 133.9 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | | | cis | 73.2 | 157.3 | 20.9 | -74.8 | -156.1 | 13.4 | 0 | 0 | 117.6 | | |
| 788 | I | 31.8 | Very low | 31.5 | Very low | 166 Ų | 166 | 136.1 Ų | 136.1 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | | | trans | 81.8 | 131.9 | -175.2 | -50.1 | 160.1 | 0 | 0 | 0 | 113.1 | | |
| 789 | G | 30.5 | Very low | 31.3 | Very low | 67 Ų | 67 | 139.3 Ų | 139.3 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | | | cis | -166.1 | 167.2 | -1.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 790 | F | 24.7 | Very low | 31.1 | Very low | 202 Ų | 202 | 139 Ų | 139 | 89% | 0.886 | 80% | 0.795 | S | S | * | * | | | trans | -85.2 | 157.7 | -175 | -89.2 | -108.4 | 0 | 0 | 0 | 114.3 | | |
| 791 | K | 29.5 | Very low | 30.7 | Very low | 208 Ų | 208 | 139 Ų | 139 | 90% | 0.904 | 80% | 0.802 | S | S | * | * | | | trans | -155.2 | 108.3 | 146.4 | -126.1 | 174.2 | -174.9 | 176.8 | 0 | 113.6 | | |
| 792 | P | 26.8 | Very low | 30.3 | Very low | 97 Ų | 97 | 136.8 Ų | 136.8 | 63% | 0.63 | 80% | 0.804 | S | S | * | * | | | trans | -106.4 | -174.8 | 172.1 | 39.2 | -32.1 | 0 | 0 | 0 | 113 | | |
| 793 | Q | 30.2 | Very low | 29.8 | Very low | 183 Ų | 183 | 136.6 Ų | 136.6 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | | | trans | 77.3 | 160.9 | 176.1 | -57.3 | -165.8 | 9.5 | 0 | 0 | 117.4 | | |
| 794 | P | 29.6 | Very low | 29.5 | Very low | 114 Ų | 114 | 144 Ų | 144 | 74% | 0.74 | 81% | 0.813 | S | S | * | * | | | cis | -121.4 | 163.3 | -10.5 | 20.8 | 1.2 | 0 | 0 | 0 | 114.5 | | |
| 795 | A | 29.7 | Very low | 29 | Very low | 95 Ų | 95 | 140.8 Ų | 140.8 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | | | trans | -99.7 | 155.4 | 156.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 796 | P | 30 | Very low | 29.3 | Very low | 112 Ų | 112 | 141.4 Ų | 141.4 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | | | trans | -150.2 | 165.2 | 133.9 | 37.5 | -21.4 | 0 | 0 | 0 | 117.3 | | |
| 797 | K | 32.1 | Very low | 29.1 | Very low | 202 Ų | 202 | 141.1 Ų | 141.1 | 88% | 0.878 | 80% | 0.8 | S | S | * | * | | | trans | 76.3 | 109.6 | 149.7 | -76.1 | 161.2 | -176.5 | -179.7 | 0 | 120.2 | | |
| 798 | L | 24.1 | Very low | 29.1 | Very low | 172 Ų | 172 | 141.8 Ų | 141.8 | 90% | 0.901 | 80% | 0.801 | S | S | * | * | | | trans | -83.1 | 136.8 | 158.5 | -65.5 | 159.7 | 0 | 0 | 0 | 110.5 | | |
| 799 | L | 31.1 | Very low | 28.7 | Very low | 170 Ų | 170 | 138 Ų | 138 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | | | trans | -145.5 | 116.5 | 151.2 | -67.7 | 176.6 | 0 | 0 | 0 | 104.8 | | |
| 800 | S | 27.3 | Very low | 28.4 | Very low | 112 Ų | 112 | 141.6 Ų | 141.6 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | | | cis | 93.7 | 113.5 | 40.1 | -167.2 | 0 | 0 | 0 | 0 | 113.1 | | |
| 801 | A | 26.4 | Very low | 28.5 | Very low | 106 Ų | 106 | 138.7 Ų | 138.7 | 88% | 0.876 | 80% | 0.801 | S | S | * | * | | | trans | 59.1 | 152.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 802 | G | 28.7 | Very low | 28.3 | Very low | 77 Ų | 77 | 135.5 Ų | 135.5 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | | | trans | 151.3 | 47.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 803 | T | 28.6 | Very low | 28.6 | Very low | 126 Ų | 126 | 135 Ų | 135 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | | | trans | -64.5 | 139.1 | 177.3 | 46.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 804 | Y | 29.6 | Very low | 28.4 | Very low | 243 Ų | 243 | 135 Ų | 135 | 95% | 0.953 | 79% | 0.79 | S | S | * | * | | | trans | -159.7 | 140.8 | 143.4 | -97.2 | -68 | 0 | 0 | 0 | 112.4 | | |
| 805 | G | 28.3 | Very low | 28.3 | Very low | 64 Ų | 64 | 133.3 Ų | 133.3 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | | | trans | -133.3 | -136.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 806 | P | 34.8 | Very low | 28.3 | Very low | 105 Ų | 105 | 140.7 Ų | 140.7 | 68% | 0.682 | 79% | 0.793 | S | S | * | * | | | cis | -149.5 | -169.1 | -10.1 | 43.5 | -23.4 | 0 | 0 | 0 | 116 | | |
| 807 | K | 29.2 | Very low | 28.2 | Very low | 172 Ų | 172 | 140.6 Ų | 140.6 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | | | trans | 70 | 156.5 | 160.9 | -56.9 | 164.9 | -172.9 | 178.3 | 0 | 117.2 | | |
| 808 | F | 27.5 | Very low | 28 | Very low | 185 Ų | 185 | 134.1 Ų | 134.1 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | | | cis | -136.3 | 173.3 | 4.3 | -66.8 | -93.2 | 0 | 0 | 0 | 109.5 | | |
| 809 | A | 23.7 | Very low | 28.2 | Very low | 86 Ų | 86 | 133.4 Ų | 133.4 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | | | cis | 103 | 145.6 | 5.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 810 | V | 25.3 | Very low | 27.9 | Very low | 142 Ų | 142 | 131.7 Ų | 131.7 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | | | trans | 80.5 | 139.7 | 169.7 | -178.7 | 0 | 0 | 0 | 0 | 117.6 | | |
| 811 | V | 26.7 | Very low | 27.9 | Very low | 142 Ų | 142 | 132.6 Ų | 132.6 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | | | cis | -148.7 | -106 | -28 | 66.8 | 0 | 0 | 0 | 0 | 115.8 | | |
| 812 | N | 25 | Very low | 28 | Very low | 140 Ų | 140 | 135.2 Ų | 135.2 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | | | trans | -156.3 | -156.7 | -164.9 | -150.9 | 15.3 | 0 | 0 | 0 | 113.6 | | |
| 813 | P | 33.7 | Very low | 28 | Very low | 87 Ų | 87 | 135.4 Ų | 135.4 | 57% | 0.565 | 77% | 0.772 | S | S | * | * | | | | -131.9 | -160.5 | -122.9 | 46.1 | -25.2 | 0 | 0 | 0 | 118 | | |
| 814 | H | 25.4 | Very low | 28.2 | Very low | 184 Ų | 184 | 135.6 Ų | 135.6 | 85% | 0.852 | 78% | 0.776 | S | S | * | * | | | trans | 76.4 | 128.2 | 168.4 | -72.8 | -69.2 | 0 | 0 | 0 | 120.8 | | |
| 815 | A | 28 | Very low | 28.2 | Very low | 77 Ų | 77 | 127.3 Ų | 127.3 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | | | | 172.2 | 136.8 | 121.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 816 | W | 28.8 | Very low | 28.3 | Very low | 250 Ų | 250 | 131.6 Ų | 131.6 | 95% | 0.947 | 78% | 0.777 | S | S | * | * | | | trans | 56.9 | 167 | 145.4 | -56.4 | -22.3 | 0 | 0 | 0 | 122.7 | | |
| 817 | S | 28.1 | Very low | 28.1 | Very low | 110 Ų | 110 | 131 Ų | 131 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | | | | -176.5 | 144.4 | -56.2 | 55.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 818 | G | 27.3 | Very low | 27.9 | Very low | 66 Ų | 66 | 128.1 Ų | 128.1 | 68% | 0.68 | 78% | 0.783 | S | S | * | * | | | trans | 110.7 | 145.6 | 139.4 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 819 | N | 29.8 | Very low | 28.3 | Very low | 158 Ų | 158 | 125 Ų | 125 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | | | trans | 70.6 | 126 | 158.8 | -53.9 | -14.3 | 0 | 0 | 0 | 118.6 | | |
| 820 | V | 25 | Very low | 28.5 | Very low | 134 Ų | 134 | 125.1 Ų | 125.1 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | | | cis | 106.1 | 155.3 | 26.7 | 170.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 821 | V | 27.1 | Very low | 29 | Very low | 130 Ų | 130 | 123.3 Ų | 123.3 | 79% | 0.788 | 77% | 0.773 | S | S | * | * | | | trans | 91.9 | 130.2 | -176.3 | 180 | 0 | 0 | 0 | 0 | 113.8 | | |
| 822 | L | 27.6 | Very low | 29 | Very low | 161 Ų | 161 | 123.4 Ų | 123.4 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | | | cis | -156.1 | 168.7 | -16.5 | -111.4 | 177.6 | 0 | 0 | 0 | 109.7 | | |
| 823 | A | 29.7 | Very low | 29.3 | Very low | 81 Ų | 81 | 123.2 Ų | 123.2 | 67% | 0.669 | 77% | 0.765 | S | S | * | * | | | trans | -128.4 | 166.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 824 | P | 32.1 | Very low | 29.3 | Very low | 131 Ų | 131 | 125.9 Ų | 125.9 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | | | | -159 | 170.2 | 100.6 | 40.5 | -21.7 | 0 | 0 | 0 | 118.5 | | |
| 825 | G | 28.9 | Very low | 29.4 | Very low | 69 Ų | 69 | 125.2 Ų | 125.2 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | | | trans | 91.5 | 144.5 | 157.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 826 | V | 31.2 | Very low | 29.6 | Very low | 153 Ų | 153 | 128.4 Ų | 128.4 | 93% | 0.927 | 78% | 0.783 | S | S | * | * | | | cis | -162.9 | 163.4 | -2.6 | -118 | 0 | 0 | 0 | 0 | 107.6 | | |
| 827 | A | 30.5 | Very low | 29.4 | Very low | 93 Ų | 93 | 126.9 Ų | 126.9 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | | | cis | -150.3 | -150.6 | 2 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 828 | S | 25.7 | Very low | 29.8 | Very low | 112 Ų | 112 | 126.2 Ų | 126.2 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | | | trans | -163 | -173.8 | 178.6 | -137.7 | 0 | 0 | 0 | 0 | 108.5 | | |
| 829 | P | 34.9 | Very low | 29.8 | Very low | 118 Ų | 118 | 131 Ų | 131 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | | | cis | -133.8 | -157.1 | -7.9 | 39.3 | -17.7 | 0 | 0 | 0 | 113.8 | | |
| 830 | A | 28.3 | Very low | 29.8 | Very low | 89 Ų | 89 | 127 Ų | 127 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | | | trans | -93.6 | -149.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 831 | P | 35.2 | Very low | 30.2 | Very low | 104 Ų | 104 | 127.8 Ų | 127.8 | 68% | 0.675 | 77% | 0.769 | S | S | * | * | | | cis | -139.2 | -156.3 | -3.7 | 35 | -9.1 | 0 | 0 | 0 | 115.1 | | |
| 832 | M | 27.7 | Very low | 30.2 | Very low | 145 Ų | 145 | 125.6 Ų | 125.6 | 71% | 0.714 | 76% | 0.764 | S | S | * | * | | | trans | 76.3 | 152.6 | 168.7 | -43 | -39.3 | -90.8 | 0 | 0 | 115.8 | | |
| 833 | D | 30.4 | Very low | 30.5 | Very low | 135 Ų | 135 | 128 Ų | 128 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | | | cis | -154.7 | -167.1 | -16.8 | -95.5 | -17.2 | 0 | 0 | 0 | 107 | | |
| 834 | D | 32.8 | Very low | 30.6 | Very low | 143 Ų | 143 | 129.8 Ų | 129.8 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | | | cis | -156.8 | -175.4 | 16.1 | -168.1 | 6.8 | 0 | 0 | 0 | 110.7 | | |
| 835 | H | 28.8 | Very low | 30.7 | Very low | 170 Ų | 170 | 130.8 Ų | 130.8 | 79% | 0.787 | 77% | 0.77 | S | S | * | * | | | trans | -92.3 | 161.7 | -178.9 | -61.5 | -89.2 | 0 | 0 | 0 | 115.6 | | |
| 836 | V | 30.8 | Very low | 31.1 | Very low | 144 Ų | 144 | 135 Ų | 135 | 87% | 0.873 | 77% | 0.771 | S | S | * | * | | | | 165.2 | 148.7 | 124.7 | 157.7 | 0 | 0 | 0 | 0 | 113 | | |
| 837 | Y | 25.7 | Very low | 31.1 | Very low | 218 Ų | 218 | 134.8 Ų | 134.8 | 86% | 0.855 | 76% | 0.764 | S | S | * | * | | | trans | -105.7 | -156.4 | -172.9 | -99.5 | -63.2 | 0 | 0 | 0 | 111.1 | | |
| 838 | P | 36.4 | Very low | 31.2 | Very low | 96 Ų | 96 | 134 Ų | 134 | 62% | 0.623 | 77% | 0.765 | S | S | * | * | | | | -134.4 | -159.6 | -55.2 | 37 | -17.5 | 0 | 0 | 0 | 113.8 | | |
| 839 | L | 27.8 | Very low | 31.4 | Very low | 168 Ų | 168 | 132.9 Ų | 132.9 | 88% | 0.88 | 76% | 0.763 | S | S | * | * | | | trans | 72.5 | 153.9 | 157.4 | -66.3 | 163.7 | 0 | 0 | 0 | 118.1 | | |
| 840 | A | 29.8 | Very low | 31.3 | Very low | 73 Ų | 73 | 134 Ų | 134 | 60% | 0.603 | 77% | 0.767 | S | S | * | * | | | cis | -161.7 | -179 | -17.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 841 | N | 32.2 | Very low | 31.4 | Very low | 151 Ų | 151 | 134.4 Ų | 134.4 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | | | cis | -145.6 | 167.1 | 17.2 | -78.9 | -79.5 | 0 | 0 | 0 | 108.2 | | |
| 842 | A | 28.4 | Very low | 31.1 | Very low | 84 Ų | 84 | 137 Ų | 137 | 69% | 0.694 | 77% | 0.766 | S | S | * | * | | | cis | 90 | 101.3 | 24 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 843 | K | 32.6 | Very low | 31.4 | Very low | 210 Ų | 210 | 138.8 Ų | 138.8 | 91% | 0.913 | 77% | 0.773 | S | S | * | * | | | trans | 179.3 | 125.6 | 146.9 | -106.7 | 174.5 | -176.7 | -177.7 | 0 | 114.8 | | |
| 844 | P | 33.3 | Very low | 31.4 | Very low | 120 Ų | 120 | 138.3 Ų | 138.3 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | | | trans | -119.9 | 172.7 | 165.5 | 40.6 | -30.3 | 0 | 0 | 0 | 113.7 | | |
| 845 | I | 33.7 | Very low | 31.5 | Very low | 152 Ų | 152 | 140.2 Ų | 140.2 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | | | trans | -173.8 | 118.7 | 166.4 | -104.1 | 149.3 | 0 | 0 | 0 | 106.8 | | |
| 846 | E | 36.4 | Very low | 31.6 | Very low | 158 Ų | 158 | 136.5 Ų | 136.5 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | | | | 67.2 | 148.8 | 88.7 | -71.3 | -149.2 | 106.3 | 0 | 0 | 115.7 | | |
| 847 | N | 31.7 | Very low | 31.5 | Very low | 148 Ų | 148 | 134.5 Ų | 134.5 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | | | cis | -170.8 | 162.7 | -27.8 | -115.7 | -30.9 | 0 | 0 | 0 | 107.1 | | |
| 848 | G | 32.4 | Very low | 31.8 | Very low | 76 Ų | 76 | 131.4 Ų | 131.4 | 78% | 0.784 | 76% | 0.756 | S | S | * | * | | | trans | 145.6 | 152.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 849 | A | 30.4 | Very low | 31.4 | Very low | 88 Ų | 88 | 132.1 Ų | 132.1 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | | | trans | -155.2 | -179.7 | -140.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 850 | T | 31.8 | Very low | 31.5 | Very low | 141 Ų | 141 | 135.9 Ų | 135.9 | 87% | 0.865 | 76% | 0.764 | S | S | * | * | | | trans | 73.5 | 157.7 | 170.1 | 77.9 | 0 | 0 | 0 | 0 | 115.9 | | |
| 851 | S | 32.1 | Very low | 31.5 | Very low | 98 Ų | 98 | 138.5 Ų | 138.5 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | | | cis | -151.5 | 163.3 | 3.1 | 55.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 852 | F | 28.9 | Very low | 31.5 | Very low | 160 Ų | 160 | 136.2 Ų | 136.2 | 70% | 0.702 | 78% | 0.777 | S | S | * | * | | | trans | 11.4 | 151.8 | 146.7 | -72.2 | -88.8 | 0 | 0 | 0 | 121.8 | | |
| 853 | E | 32.8 | Very low | 31.5 | Very low | 182 Ų | 182 | 136.6 Ų | 136.6 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | | | | -159.6 | 178.5 | 60.7 | -161.8 | 162.1 | -143.7 | 0 | 0 | 115.7 | | |
| 854 | N | 30.3 | Very low | 31.1 | Very low | 125 Ų | 125 | 133 Ų | 133 | 67% | 0.668 | 78% | 0.78 | S | S | * | * | | | trans | -110.7 | 153.9 | -173 | -66.4 | -70.6 | 0 | 0 | 0 | 114.5 | | |
| 855 | Q | 35.3 | Very low | 31 | Very low | 183 Ų | 183 | 133 Ų | 133 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | | | trans | 175.3 | 164.3 | 140.7 | -98.7 | 157 | 90.2 | 0 | 0 | 110.8 | | |
| 856 | S | 31.7 | Very low | 30.8 | Very low | 91 Ų | 91 | 133.7 Ų | 133.7 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | | | | -170.7 | 143.2 | -64.3 | 49.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 857 | C | 28.3 | Very low | 30.9 | Very low | 102 Ų | 102 | 131.3 Ų | 131.3 | 69% | 0.689 | 79% | 0.786 | S | S | * | * | | | trans | 23.1 | 138 | 159.1 | 62.6 | 0 | 0 | 0 | 0 | 121.3 | | |
| 858 | L | 31.7 | Very low | 31 | Very low | 153 Ų | 153 | 130.3 Ų | 130.3 | 80% | 0.801 | 79% | 0.787 | S | S | * | * | | | | -168.5 | 138.1 | 66.1 | -76.2 | 162 | 0 | 0 | 0 | 108.2 | | |
| 859 | C | 27.8 | Very low | 30.9 | Very low | 111 Ų | 111 | 137.2 Ų | 137.2 | 75% | 0.75 | 79% | 0.79 | S | S | * | * | | | | 74 | 84.5 | 61.8 | -67.1 | 0 | 0 | 0 | 0 | 117.5 | | |
| 860 | R | 29 | Very low | 30.8 | Very low | 247 Ų | 247 | 139.8 Ų | 139.8 | 93% | 0.932 | 79% | 0.791 | S | S | * | * | | | trans | -174.6 | 138.7 | 131.8 | -113.1 | 177.4 | 175.5 | 173 | -1 | 114.7 | | |
| 861 | P | 30.1 | Very low | 30.7 | Very low | 129 Ų | 129 | 144.2 Ų | 144.2 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | | | trans | -118.3 | 150.4 | 169.5 | 39.1 | -29.3 | 0 | 0 | 0 | 114.4 | | |
| 862 | A | 31.9 | Very low | 30.5 | Very low | 102 Ų | 102 | 150.7 Ų | 150.7 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | | | trans | -168.2 | 159.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 863 | A | 28.4 | Very low | 30.3 | Very low | 92 Ų | 92 | 151 Ų | 151 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | | | cis | -179.4 | 135.1 | -26 | 0 | 0 | 0 | 0 | 0 | 104.9 | | |
| 864 | C | 24.7 | Very low | 30 | Very low | 134 Ų | 134 | 149.4 Ų | 149.4 | 91% | 0.905 | 81% | 0.809 | S | S | * | * | | | trans | 11 | 121.9 | 167.5 | -58.5 | 0 | 0 | 0 | 0 | 121.7 | | |
| 865 | S | 31.2 | Very low | 29.7 | Very low | 122 Ų | 122 | 148.3 Ų | 148.3 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | | | trans | -156.5 | 148.7 | 133 | 50.6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 866 | L | 29.5 | Very low | 29.2 | Very low | 165 Ų | 165 | 144.5 Ų | 144.5 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | | | trans | -157.8 | 163.3 | 179.2 | -86 | 174.2 | 0 | 0 | 0 | 107.5 | | |
| 867 | P | 39 | Very low | 28.9 | Very low | 109 Ų | 109 | 147.8 Ų | 147.8 | 71% | 0.708 | 82% | 0.817 | S | S | * | * | | | | -115.7 | -160.6 | -54.9 | 33.8 | -15.8 | 0 | 0 | 0 | 109.3 | | |
| 868 | P | 33.3 | Very low | 28.6 | Very low | 126 Ų | 126 | 147.1 Ų | 147.1 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | | | | -150.6 | 178.4 | 97.9 | 37.7 | -18.9 | 0 | 0 | 0 | 116.3 | | |
| 869 | R | 29.8 | Very low | 28.4 | Very low | 222 Ų | 222 | 146.1 Ų | 146.1 | 84% | 0.838 | 82% | 0.821 | S | S | * | * | | | trans | -72.9 | 147 | -177.5 | -59.7 | 165.8 | 163.4 | 153 | -9.5 | 114.1 | | |
| 870 | N | 28.9 | Very low | 28.2 | Very low | 141 Ų | 141 | 146.1 Ų | 146.1 | 75% | 0.754 | 82% | 0.823 | S | S | * | * | | | | 153.8 | 124.3 | 108.6 | -83.6 | -48.8 | 0 | 0 | 0 | 114.3 | | |
| 871 | R | 30.7 | Very low | 28.1 | Very low | 235 Ų | 235 | 139 Ų | 139 | 89% | 0.887 | 82% | 0.816 | S | S | * | * | | | | 170.1 | 119.5 | 118.6 | -92.6 | 166.2 | -176.3 | -169 | 1.7 | 115 | | |
| 872 | R | 28.4 | Very low | 28 | Very low | 233 Ų | 233 | 137.3 Ų | 137.3 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | | | trans | 46.9 | 107.4 | 139.2 | -63.7 | -176.9 | 174.3 | 175.8 | -3 | 122 | | |
| 873 | M | 23.4 | Very low | 27.7 | Very low | 168 Ų | 168 | 142.1 Ų | 142.1 | 83% | 0.828 | 82% | 0.819 | S | S | * | * | | | | 34.9 | 125.4 | 121.9 | -75 | 176 | 146 | 0 | 0 | 121.5 | | |
| 874 | V | 26.1 | Very low | 27.7 | Very low | 147 Ų | 147 | 142.1 Ų | 142.1 | 89% | 0.891 | 81% | 0.813 | S | S | * | * | | | | -131.6 | 146.4 | 118.8 | 179.3 | 0 | 0 | 0 | 0 | 107.6 | | |
| 875 | V | 24.2 | Very low | 27.8 | Very low | 102 Ų | 102 | 143.2 Ų | 143.2 | 62% | 0.618 | 81% | 0.808 | S | S | * | * | | | trans | -125.9 | 129.8 | 176.2 | 174.9 | 0 | 0 | 0 | 0 | 109.3 | L877 | V875-L877 HydrophobicContact CG1-CG 4.45Š|
| 876 | A | 24.6 | Very low | 27.7 | Very low | 104 Ų | 104 | 143.4 Ų | 143.4 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | | | trans | -94.2 | 139 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 877 | L | 25.1 | Very low | 27.6 | Very low | 159 Ų | 159 | 143.8 Ų | 143.8 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | | | trans | -116.4 | 119.1 | -167.9 | -93.1 | 160.8 | 0 | 0 | 0 | 112.9 | V875 | V875-L877 HydrophobicContact CG1-CG 4.45Š|
| 878 | A | 23.4 | Very low | 27.1 | Very low | 88 Ų | 88 | 147.5 Ų | 147.5 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | | | trans | 60.8 | 179.6 | 157.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 879 | P | 27.7 | Very low | 26.8 | Very low | 133 Ų | 133 | 150.2 Ų | 150.2 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | | | cis | -100.6 | -177.9 | 35.1 | 38.9 | -37 | 0 | 0 | 0 | 115.2 | | |
| 880 | S | 23.5 | Very low | 26.9 | Very low | 111 Ų | 111 | 146.5 Ų | 146.5 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | | | trans | -129.4 | 156.2 | 177.8 | -176.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 881 | A | 25.4 | Very low | 27.3 | Very low | 97 Ų | 97 | 148.4 Ų | 148.4 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | | | trans | 51.2 | 112.5 | 161.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 882 | A | 28.1 | Very low | 27.6 | Very low | 94 Ų | 94 | 143.3 Ų | 143.3 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | | | trans | -133.2 | 117.1 | 151.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 883 | Q | 25.9 | Very low | 27.8 | Very low | 203 Ų | 203 | 135.9 Ų | 135.9 | 95% | 0.949 | 79% | 0.794 | S | S | * | * | | | trans | -83.6 | 120.9 | 158.4 | -70.3 | 174.1 | -31.6 | 0 | 0 | 106.9 | | |
| 884 | S | 28.5 | Very low | 28.2 | Very low | 92 Ų | 92 | 133.6 Ų | 133.6 | 64% | 0.643 | 79% | 0.794 | S | S | * | * | | | trans | -126.4 | 101.2 | 173.2 | 44.7 | 0 | 0 | 0 | 0 | 111 | N886 | S884-N886 PolarHBondContact O-N 3.39Š|
| 885 | I | 26.8 | Very low | 28.8 | Very low | 156 Ų | 156 | 133.7 Ų | 133.7 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | | | trans | -68.8 | 119.7 | 158.3 | -62.9 | 164.7 | 0 | 0 | 0 | 106.3 | | |
| 886 | N | 29.9 | Very low | 29.4 | Very low | 127 Ų | 127 | 135.7 Ų | 135.7 | 68% | 0.679 | 79% | 0.791 | S | S | * | * | | | trans | -125 | 94.3 | 171.8 | -87.8 | -16.5 | 0 | 0 | 0 | 110 | S884 | S884-N886 PolarHBondContact O-N 3.39Š|
| 887 | H | 26.8 | Very low | 30 | Very low | 173 Ų | 173 | 141 Ų | 141 | 80% | 0.801 | 79% | 0.789 | S | S | * | * | | | trans | -70.6 | 130.9 | 149.7 | -85.1 | -95.1 | 0 | 0 | 0 | 108 | | |
| 888 | Y | 28.8 | Very low | 30.6 | Very low | 186 Ų | 186 | 139.4 Ų | 139.4 | 73% | 0.729 | 79% | 0.788 | S | S | * | * | | | trans | -145.8 | 95.6 | 163.4 | -100.7 | -81.8 | 0 | 0 | 0 | 110.4 | | |
| 889 | E | 27 | Very low | 31 | Very low | 184 Ų | 184 | 139.6 Ų | 139.6 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | | | trans | -79 | 146.4 | 138.2 | -65.3 | 176.4 | 113.1 | 0 | 0 | 107.4 | | |
| 890 | N | 31.9 | Very low | 31.5 | Very low | 143 Ų | 143 | 144 Ų | 144 | 77% | 0.765 | 79% | 0.789 | S | S | * | * | | | trans | -174.2 | 143 | 147.6 | -99.9 | -47.9 | 0 | 0 | 0 | 111.6 | | |
| 891 | H | 36.1 | Very low | 32 | Very low | 181 Ų | 181 | 147.1 Ų | 147.1 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | | | trans | -87.9 | 173.1 | 162.4 | -63.4 | -82.5 | 0 | 0 | 0 | 109.9 | | |
| 892 | P | 38.9 | Very low | 32.5 | Very low | 129 Ų | 129 | 148.3 Ų | 148.3 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | | | | -150.5 | 164.4 | 89 | 37.9 | -20.4 | 0 | 0 | 0 | 117.3 | | |
| 893 | G | 32.3 | Very low | 32.9 | Very low | 77 Ų | 77 | 149.8 Ų | 149.8 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | | | trans | 86.5 | 150.7 | 131.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 894 | S | 31.9 | Very low | 33.4 | Very low | 120 Ų | 120 | 149.6 Ų | 149.6 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | | | cis | -163.3 | -178.4 | -8.5 | -168 | 0 | 0 | 0 | 0 | 110.8 | | |
| 895 | I | 37.9 | Very low | 33.6 | Very low | 149 Ų | 149 | 150.4 Ų | 150.4 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | | | trans | 108.7 | 89.1 | 163.1 | -54.9 | 170.6 | 0 | 0 | 0 | 118.1 | | |
| 896 | E | 36.8 | Very low | 34.2 | Very low | 144 Ų | 144 | 148.3 Ų | 148.3 | 67% | 0.673 | 79% | 0.788 | S | S | * | * | | | | 53.3 | 108.6 | 128 | -55.8 | -145.6 | 100.4 | 0 | 0 | 124.8 | | |
| 897 | R | 36.7 | Very low | 34.4 | Very low | 215 Ų | 215 | 152.2 Ų | 152.2 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | | | | 54.4 | 160.6 | 108.4 | -71 | 173.5 | 170.6 | 176.6 | -5.9 | 122.2 | | |
| 898 | P | 37.8 | Very low | 34.8 | Very low | 125 Ų | 125 | 151 Ų | 151 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | | | cis | -134.2 | 175.8 | -27.6 | 36.3 | -17.7 | 0 | 0 | 0 | 115 | | |
| 899 | A | 33 | Very low | 35.2 | Very low | 93 Ų | 93 | 150.9 Ų | 150.9 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | | | trans | -86.4 | 167.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 900 | R | 36.6 | Very low | 35.7 | Very low | 226 Ų | 226 | 150.8 Ų | 150.8 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | | | | -171.1 | 128.5 | 125.1 | -104.4 | 169.6 | -170.8 | -160 | 2.6 | 116.7 | | |
| 901 | Q | 34.5 | Very low | 35.6 | Very low | 176 Ų | 176 | 149.9 Ų | 149.9 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | | | trans | 61.6 | 137.1 | 147 | -69.5 | 178.7 | -35.2 | 0 | 0 | 122.8 | | |
| 902 | P | 36.3 | Very low | 35.5 | Very low | 122 Ų | 122 | 147 Ų | 147 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | | | trans | -109.3 | 149.4 | 175.7 | 39.6 | -32 | 0 | 0 | 0 | 114.8 | | |
| 903 | V | 35.6 | Very low | 35.2 | Very low | 124 Ų | 124 | 148.8 Ų | 148.8 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | | | trans | -147.9 | 115.7 | 173.9 | -176.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 904 | K | 38 | Very low | 35.2 | Very low | 199 Ų | 199 | 154.3 Ų | 154.3 | 87% | 0.865 | 79% | 0.79 | S | S | * | * | | | trans | 59.3 | 138.8 | 151.6 | -62 | 172.9 | -175.5 | 177.8 | 0 | 122.6 | | |
| 905 | S | 33 | Very low | 35.1 | Very low | 110 Ų | 110 | 153.9 Ų | 153.9 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | | | trans | -86.9 | -168.8 | 158.5 | 58 | 0 | 0 | 0 | 0 | 110.3 | | |
| 906 | P | 37.7 | Very low | 35 | Very low | 111 Ų | 111 | 154 Ų | 154 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | | | cis | -142.1 | -148.8 | 9.4 | 43.9 | -21.4 | 0 | 0 | 0 | 114.9 | | |
| 907 | R | 34.9 | Very low | 34.8 | Very low | 209 Ų | 209 | 151.5 Ų | 151.5 | 79% | 0.789 | 79% | 0.788 | S | S | * | * | | | trans | 89.9 | 121.7 | 176 | -59.8 | -153.2 | 136.9 | 139.6 | 0 | 115.6 | | |
| 908 | E | 35.1 | Very low | 34.5 | Very low | 149 Ų | 149 | 147.5 Ų | 147.5 | 70% | 0.696 | 79% | 0.787 | S | S | * | * | | | cis | 91.8 | 102.9 | 48.5 | -75.6 | 175.8 | 137.4 | 0 | 0 | 112.1 | | |
| 909 | E | 38 | Very low | 34.3 | Very low | 183 Ų | 183 | 148.2 Ų | 148.2 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | | | | 174.9 | 113.7 | 119.5 | -92.1 | -167.6 | 132.3 | 0 | 0 | 115.7 | | |
| 910 | K | 36.1 | Very low | 34.2 | Very low | 182 Ų | 182 | 149.7 Ų | 149.7 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | | | | 43.4 | 126.7 | 120.6 | -98.4 | -166.1 | 170.1 | -177.2 | 0 | 124.4 | | |
| 911 | V | 30.8 | Very low | 33.9 | Very low | 123 Ų | 123 | 142.9 Ų | 142.9 | 75% | 0.745 | 78% | 0.775 | S | S | * | * | | | trans | 50.2 | 144.4 | 145.1 | -106.5 | 0 | 0 | 0 | 0 | 119 | | |
| 912 | T | 34.2 | Very low | 33.7 | Very low | 120 Ų | 120 | 141.7 Ų | 141.7 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | | | cis | -158.6 | 174 | 41.4 | -38.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 913 | E | 32 | Very low | 33.5 | Very low | 168 Ų | 168 | 143.7 Ų | 143.7 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | | | trans | -67 | 156.9 | 177 | -56.2 | 145.8 | 117.7 | 0 | 0 | 114.5 | | |
| 914 | M | 31.7 | Very low | 33.5 | Very low | 192 Ų | 192 | 145.9 Ų | 145.9 | 95% | 0.946 | 78% | 0.784 | S | S | * | * | | | | -157.3 | 146.9 | 128.4 | -107.3 | 169.4 | -163.1 | 0 | 0 | 109.8 | | |
| 915 | S | 29.4 | Very low | 33.2 | Very low | 111 Ų | 111 | 141.6 Ų | 141.6 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | | | trans | -135.4 | 127.3 | -176.7 | -56 | 0 | 0 | 0 | 0 | 110.3 | | |
| 916 | D | 35.8 | Very low | 33.4 | Very low | 153 Ų | 153 | 146.1 Ų | 146.1 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | trans | -148.8 | 113.5 | 165.5 | -86.9 | -44.2 | 0 | 0 | 0 | 106.6 | | |
| 917 | S | 33.5 | Very low | 33.2 | Very low | 91 Ų | 91 | 145.7 Ų | 145.7 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | | | | 67.6 | 95.9 | 86.7 | 83 | 0 | 0 | 0 | 0 | 111.9 | | |
| 918 | V | 30.9 | Very low | 33 | Very low | 130 Ų | 130 | 144.7 Ų | 144.7 | 79% | 0.788 | 79% | 0.789 | S | S | * | * | | | | 68.5 | 108 | 91.8 | 171 | 0 | 0 | 0 | 0 | 111.8 | | |
| 919 | D | 32.9 | Very low | 33 | Very low | 141 Ų | 141 | 144.3 Ų | 144.3 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | | | | -163 | -173.4 | 93.3 | -136.1 | -49.2 | 0 | 0 | 0 | 113.1 | | |
| 920 | T | 30.4 | Very low | 32.7 | Very low | 124 Ų | 124 | 139.6 Ų | 139.6 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | | | trans | -92.9 | 168.4 | -149.9 | 41.3 | 0 | 0 | 0 | 0 | 117.7 | | |
| 921 | A | 30.8 | Very low | 32.7 | Very low | 83 Ų | 83 | 135 Ų | 135 | 69% | 0.686 | 79% | 0.785 | S | S | * | * | | | trans | 95.6 | 137.2 | 144.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 922 | N | 30.9 | Very low | 33.1 | Very low | 151 Ų | 151 | 135 Ų | 135 | 81% | 0.807 | 79% | 0.787 | S | S | * | * | | | trans | 62.7 | 104.9 | 162.9 | -57.9 | -40.1 | 0 | 0 | 0 | 118.6 | | |
| 923 | L | 32.8 | Very low | 33.2 | Very low | 164 Ų | 164 | 135 Ų | 135 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | | | | -174.1 | 153.4 | 108.1 | -100.2 | 165.6 | 0 | 0 | 0 | 113.9 | | |
| 924 | L | 35.6 | Very low | 34 | Very low | 169 Ų | 169 | 130.3 Ų | 130.3 | 89% | 0.885 | 80% | 0.797 | S | S | * | * | | | trans | 69.5 | 89.6 | 162.3 | -63.1 | 167.7 | 0 | 0 | 0 | 119.6 | | |
| 925 | S | 31.3 | Very low | 34.8 | Very low | 109 Ų | 109 | 124.2 Ų | 124.2 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | | | trans | -99.9 | 138.9 | 158.7 | 56.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 926 | K | 37.4 | Very low | 36.1 | Very low | 205 Ų | 205 | 123 Ų | 123 | 89% | 0.891 | 77% | 0.768 | S | S | * | * | | | trans | 152.8 | 139.4 | 155.2 | -88.6 | 158.1 | -175.7 | 176 | 0 | 110.1 | | |
| 927 | S | 32.6 | Very low | 37.8 | Very low | 103 Ų | 103 | 121.5 Ų | 121.5 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | | | cis | -153.4 | 126.6 | -9.6 | 50.5 | 0 | 0 | 0 | 0 | 109.3 | | |
| 928 | E | 31.6 | Very low | 39.2 | Very low | 187 Ų | 187 | 121.5 Ų | 121.5 | 87% | 0.874 | 75% | 0.754 | S | S | * | * | | | trans | -86.7 | 118.5 | -174.1 | -174.2 | 173.5 | -175.4 | 0 | 0 | 111.3 | A930 | E928-A930 PolarHBondContact O-N 2.88Š|
| 929 | V | 34.3 | Very low | 40.7 | Very low | 141 Ų | 141 | 121.8 Ų | 121.8 | 86% | 0.855 | 75% | 0.745 | S | S | * | * | | | trans | -89.1 | 91.6 | 172.4 | -179.1 | 0 | 0 | 0 | 0 | 108.3 | A931 | V929-A931 PolarHBondContact O-N 3.29Å; V929-A931 VanDerWaalsContact O-N 3.14Å |
| 930 | A | 32.6 | Very low | 42.4 | Very low | 84 Ų | 84 | 118.4 Ų | 118.4 | 69% | 0.694 | 73% | 0.727 | S | S | * | * | | | trans | -62.5 | 112.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | E928 | E928-A930 PolarHBondContact O-N 2.88Š|
| 931 | A | 35.1 | Very low | 44.1 | Very low | 86 Ų | 86 | 117 Ų | 117 | 71% | 0.711 | 71% | 0.711 | S | S | * | * | | | trans | -65.8 | 144.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | V929 A933 | V929-A931 PolarHBondContact O-N 3.29Å; V929-A931 VanDerWaalsContact O-N 3.14Å; A931-A933 PolarHBondContact O-N 2.86Å |
| 932 | P | 39.2 | Very low | 46.4 | Very low | 122 Ų | 122 | 120.2 Ų | 120.2 | 79% | 0.792 | 71% | 0.706 | S | S | * | * | | | trans | -61.8 | 127.2 | -172.2 | 23 | -33.6 | 0 | 0 | 0 | 112.2 | G934 | P932-G934 PolarHBondContact O-N 2.98Š|
| 933 | A | 37.3 | Very low | 48.5 | Very low | 120 Ų | 120 | 115.5 Ų | 115.5 | 99% | 0.992 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | 67.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113 | A931 | A931-A933 PolarHBondContact O-N 2.86Š|
| 934 | G | 47.3 | Very low | 50.4 | Low | 71 Ų | 71 | 112 Ų | 112 | 73% | 0.732 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -157.7 | 13.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | P932 | P932-G934 PolarHBondContact O-N 2.98Š|
| 935 | G | 49.4 | Very low | 52.1 | Low | 64 Ų | 64 | 106.5 Ų | 106.5 | 66% | 0.66 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 132.6 | 171 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 936 | L | 56.8 | Low | 54.4 | Low | 85 Ų | 85 | 106 Ų | 106 | 45% | 0.445 | 62% | 0.623 | S | S | . | * | P | Polyproline II helix | trans | -61.3 | 145.2 | 168.4 | -72.5 | 165.3 | 0 | 0 | 0 | 110.1 | D940 Q941 M944 | L936-D940 HydrophobicContact CB-CB 4.05Å; L936-D940 HydrophobicContact CD2-CB 4.14Å; L936-Q941 HydrophobicContact CB-CG 3.88Å; L936-Q941 PolarHBondContact O-NE2 2.6Å; L936-M944 HydrophobicContact CD1-SD 3.45Å; L936-M944 WeakPolarHBondContact CD1-SD 3.45Å |
| 937 | E | 71.8 | Confident | 56.2 | Low | 122 Ų | 122 | 102.2 Ų | 102.2 | 57% | 0.57 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 149.3 | 173.5 | -83.4 | -62.3 | 138.7 | 0 | 0 | 111.2 | F939 D940 Q941 | E937-F939 PolarHBondContact O-N 3.28Å; E937-D940 WeakPolarHBondContact O-CA 3.35Å; E937-D940 PolarHBondContact O-N 3.44Å; E937-Q941 WeakPolarHBondContact O-CG 3.35Å; E937-Q941 PolarHBondContact O-N 3.49Å |
| 938 | P | 62.3 | Low | 58.4 | Low | 91 Ų | 91 | 102.3 Ų | 102.3 | 59% | 0.591 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -57.1 | -27.4 | 179.7 | -26.2 | 36.6 | 0 | 0 | 0 | 113.5 | W942 | P938-W942 WeakPolarHBondContact O-CB 3.31Å; P938-W942 PolarHBondContact O-N 2.87Å |
| 939 | F | 62.5 | Low | 60.7 | Low | 136 Ų | 136 | 97.3 Ų | 97.3 | 60% | 0.596 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -69.7 | -42.7 | 172.4 | -177 | -112.8 | 0 | 0 | 0 | 112.6 | E937 W942 L943 | E937-F939 PolarHBondContact O-N 3.28Å; F939-W942 HydrophobicContact CD2-CE3 4.35Å; F939-W942 HydrophobicContact CE2-CE3 4.23Å; F939-W942 HydrophobicContact CE2-CZ3 4.24Å; F939-W942 PolarHBondContact O-N 3.29Å; F939-L943 HydrophobicContact CD1-CD1 3.88Å; F939-L943 HydrophobicContact CE1-CD1 3.39Å; F939-L943 HydrophobicContact CE2-CD1 4.34Å; F939-L943 HydrophobicContact CZ-CD1 3.65Å; F939-L943 WeakPolarHBondContact O-CB 3.47Å; F939-L943 PolarHBondContact O-N 2.86Å |
| 940 | D | 69.5 | Low | 62.9 | Low | 70 Ų | 70 | 95 Ų | 95 | 37% | 0.374 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -68.4 | -38.1 | 174.8 | -76.6 | -26.2 | 0 | 0 | 0 | 111.8 | L936 E937 W942 L943 M944 | L936-D940 HydrophobicContact CB-CB 4.05Å; L936-D940 HydrophobicContact CD2-CB 4.14Å; E937-D940 WeakPolarHBondContact O-CA 3.35Å; E937-D940 PolarHBondContact O-N 3.44Å; D940-W942 VanDerWaalsContact C-N 3.32Å; D940-W942 PolarHBondContact O-N 2.89Å; D940-L943 PolarHBondContact O-N 3.1Å; D940-M944 WeakPolarHBondContact O-CB 3.49Å; D940-M944 WeakPolarHBondContact O-CG 3.33Å; D940-M944 PolarHBondContact O-N 3.39Å |
| 941 | Q | 65.2 | Low | 65.2 | Low | 95 Ų | 95 | 94.9 Ų | 94.9 | 44% | 0.444 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.7 | -42.6 | 171.6 | -65.8 | -175.8 | 32.8 | 0 | 0 | 111.2 | L936 E937 A945 | L936-Q941 HydrophobicContact CB-CG 3.88Å; L936-Q941 PolarHBondContact O-NE2 2.6Å; E937-Q941 WeakPolarHBondContact O-CG 3.35Å; E937-Q941 PolarHBondContact O-N 3.49Å; Q941-A945 VanDerWaalsContact O-CB 3.24Å; Q941-A945 WeakPolarHBondContact O-CB 3.23Å; Q941-A945 PolarHBondContact O-N 2.9Å |
| 942 | W | 78.2 | Confident | 67.4 | Low | 150 Ų | 150 | 96.6 Ų | 96.6 | 57% | 0.568 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.6 | -40.7 | 174.9 | 178.1 | 86.2 | 0 | 0 | 0 | 112.5 | P938 F939 D940 A945 K946 | P938-W942 WeakPolarHBondContact O-CB 3.31Å; P938-W942 PolarHBondContact O-N 2.87Å; F939-W942 HydrophobicContact CD2-CE3 4.35Å; F939-W942 HydrophobicContact CE2-CE3 4.23Å; F939-W942 HydrophobicContact CE2-CZ3 4.24Å; F939-W942 PolarHBondContact O-N 3.29Å; D940-W942 VanDerWaalsContact C-N 3.32Å; D940-W942 PolarHBondContact O-N 2.89Å; W942-A945 PolarHBondContact O-N 3.46Å; W942-K946 HydrophobicContact CH2-CD 4.04Å; W942-K946 HydrophobicContact CZ2-CD 4.32Å; W942-K946 HydrophobicContact CZ3-CD 4.42Å; W942-K946 VanDerWaalsContact O-CB 3.31Å; W942-K946 WeakPolarHBondContact O-CB 3.23Å; W942-K946 PolarHBondContact O-N 3.11Å |
| 943 | L | 75.2 | Confident | 69.3 | Low | 52 Ų | 52 | 93.4 Ų | 93.4 | 27% | 0.272 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.9 | -45.1 | 175.2 | -104.2 | 158.4 | 0 | 0 | 0 | 112 | F939 D940 K946 F947 | F939-L943 HydrophobicContact CD1-CD1 3.88Å; F939-L943 HydrophobicContact CE1-CD1 3.39Å; F939-L943 HydrophobicContact CE2-CD1 4.34Å; F939-L943 HydrophobicContact CZ-CD1 3.65Å; F939-L943 WeakPolarHBondContact O-CB 3.47Å; F939-L943 PolarHBondContact O-N 2.86Å; D940-L943 PolarHBondContact O-N 3.1Å; L943-K946 PolarHBondContact O-N 3.06Å; L943-F947 HydrophobicContact CD2-CD2 4.2Å; L943-F947 HydrophobicContact CD2-CE2 3.81Å; L943-F947 VanDerWaalsContact O-CD2 3.29Å; L943-F947 WeakPolarHBondContact O-CD2 3.47Å; L943-F947 PolarHBondContact O-N 2.7Å |
| 944 | M | 72.4 | Confident | 71.5 | Confident | 91 Ų | 91 | 91 Ų | 91 | 45% | 0.448 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 174.2 | -77.2 | -164.5 | 64.9 | 0 | 0 | 111.8 | L936 D940 K946 F947 H948 | L936-M944 HydrophobicContact CD1-SD 3.45Å; L936-M944 WeakPolarHBondContact CD1-SD 3.45Å; D940-M944 WeakPolarHBondContact O-CB 3.49Å; D940-M944 WeakPolarHBondContact O-CG 3.33Å; D940-M944 PolarHBondContact O-N 3.39Å; M944-K946 VanDerWaalsContact C-N 3.33Å; M944-K946 PolarHBondContact O-N 2.92Å; M944-F947 PolarHBondContact O-N 3.03Å; M944-H948 WeakPolarHBondContact O-CB 3.46Å; M944-H948 PolarHBondContact O-N 3.1Å |
| 945 | A | 72.8 | Confident | 73.1 | Confident | 53 Ų | 53 | 94 Ų | 94 | 44% | 0.438 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q941 W942 H948 V949 | Q941-A945 VanDerWaalsContact O-CB 3.24Å; Q941-A945 WeakPolarHBondContact O-CB 3.23Å; Q941-A945 PolarHBondContact O-N 2.9Å; W942-A945 PolarHBondContact O-N 3.46Å; A945-H948 PolarHBondContact O-N 2.69Å; A945-V949 WeakPolarHBondContact O-CG2 3.3Å; A945-V949 PolarHBondContact O-N 2.97Å |
| 946 | K | 79.1 | Confident | 74.8 | Confident | 97 Ų | 97 | 95.5 Ų | 95.5 | 42% | 0.422 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.7 | -47.4 | 175.4 | -178.1 | 176.6 | 172 | 179.8 | 0 | 111.8 | W942 L943 M944 H948 V949 E950 | W942-K946 HydrophobicContact CH2-CD 4.04Å; W942-K946 HydrophobicContact CZ2-CD 4.32Å; W942-K946 HydrophobicContact CZ3-CD 4.42Å; W942-K946 VanDerWaalsContact O-CB 3.31Å; W942-K946 WeakPolarHBondContact O-CB 3.23Å; W942-K946 PolarHBondContact O-N 3.11Å; L943-K946 PolarHBondContact O-N 3.06Å; M944-K946 VanDerWaalsContact C-N 3.33Å; M944-K946 PolarHBondContact O-N 2.92Å; K946-H948 VanDerWaalsContact C-N 3.32Å; K946-H948 PolarHBondContact O-N 3.37Å; K946-V949 PolarHBondContact O-N 3.32Å; K946-E950 WeakPolarHBondContact CE-OE1 3.45Å; K946-E950 IonicContact NZ-OE1 3.99Å; K946-E950 PolarHBondContact O-N 2.65Å |
| 947 | F | 76.1 | Confident | 76.3 | Confident | 127 Ų | 127 | 97.3 Ų | 97.3 | 56% | 0.557 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -61.4 | -38.8 | 175.1 | -86.4 | -62.3 | 0 | 0 | 0 | 112.3 | L943 M944 E950 E951 | L943-F947 HydrophobicContact CD2-CD2 4.2Å; L943-F947 HydrophobicContact CD2-CE2 3.81Å; L943-F947 VanDerWaalsContact O-CD2 3.29Å; L943-F947 WeakPolarHBondContact O-CD2 3.47Å; L943-F947 PolarHBondContact O-N 2.7Å; M944-F947 PolarHBondContact O-N 3.03Å; F947-E950 PolarHBondContact O-N 2.85Å; F947-E951 VanDerWaalsContact O-CB 3.32Å; F947-E951 WeakPolarHBondContact O-CB 3.45Å; F947-E951 PolarHBondContact O-N 3.4Å |
| 948 | H | 77.5 | Confident | 76.8 | Confident | 105 Ų | 105 | 97.9 Ų | 97.9 | 49% | 0.486 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.3 | -38 | 173.7 | -77.5 | 10.5 | 0 | 0 | 0 | 112.4 | M944 A945 K946 Q952 | M944-H948 WeakPolarHBondContact O-CB 3.46Å; M944-H948 PolarHBondContact O-N 3.1Å; A945-H948 PolarHBondContact O-N 2.69Å; K946-H948 VanDerWaalsContact C-N 3.32Å; K946-H948 PolarHBondContact O-N 3.37Å; H948-Q952 WeakPolarHBondContact O-CB 3.26Å; H948-Q952 WeakPolarHBondContact O-CG 3.44Å; H948-Q952 PolarHBondContact O-N 3.21Å |
| 949 | V | 80.2 | Confident | 77.9 | Confident | 82 Ų | 82 | 95.8 Ų | 95.8 | 50% | 0.497 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67.1 | -43.3 | 174.1 | 169.5 | 0 | 0 | 0 | 0 | 111.2 | A945 K946 Q952 E953 | A945-V949 WeakPolarHBondContact O-CG2 3.3Å; A945-V949 PolarHBondContact O-N 2.97Å; K946-V949 PolarHBondContact O-N 3.32Å; V949-Q952 PolarHBondContact O-N 3.47Å; V949-E953 WeakPolarHBondContact O-CB 3.48Å; V949-E953 PolarHBondContact O-N 3.34Å |
| 950 | E | 80 | Confident | 79.1 | Confident | 93 Ų | 93 | 95.4 Ų | 95.4 | 44% | 0.435 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.6 | -40.4 | 175.6 | -72.9 | -179.7 | -167 | 0 | 0 | 111.8 | K946 F947 E953 T954 | K946-E950 WeakPolarHBondContact CE-OE1 3.45Å; K946-E950 IonicContact NZ-OE1 3.99Å; K946-E950 PolarHBondContact O-N 2.65Å; F947-E950 PolarHBondContact O-N 2.85Å; E950-E953 WeakPolarHBondContact O-CB 3.3Å; E950-E953 PolarHBondContact O-N 2.96Å; E950-T954 PolarHBondContact O-N 2.83Å; E950-T954 PolarHBondContact O-OG1 2.95Å |
| 951 | E | 82.4 | Confident | 79.8 | Confident | 80 Ų | 80 | 95 Ų | 95 | 37% | 0.374 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.4 | -42.4 | 175.2 | -171.2 | -176.5 | -178.1 | 0 | 0 | 112.4 | F947 E953 T954 R955 | F947-E951 VanDerWaalsContact O-CB 3.32Å; F947-E951 WeakPolarHBondContact O-CB 3.45Å; F947-E951 PolarHBondContact O-N 3.4Å; E951-E953 VanDerWaalsContact C-N 3.34Å; E951-T954 WeakPolarHBondContact CA-OG1 3.43Å; E951-T954 PolarHBondContact O-N 3.33Å; E951-T954 PolarHBondContact O-OG1 3.44Å; E951-R955 WeakPolarHBondContact O-CB 3.43Å; E951-R955 VanDerWaalsContact O-CG 3.31Å; E951-R955 WeakPolarHBondContact O-CG 3.44Å; E951-R955 PolarHBondContact O-N 3.36Å; E951-R955 IonicContact OE1-CZ 3.7Å; E951-R955 VanDerWaalsContact OE1-CZ 3.23Å; E951-R955 IonicContact OE1-NE 2.83Å; E951-R955 PolarHBondContact OE1-NE 2.96Å; E951-R955 IonicContact OE1-NH2 3.93Å; E951-R955 PolarHBondContact OE1-NH2 3.45Å |
| 952 | Q | 79.7 | Confident | 80.7 | Confident | 122 Ų | 122 | 95.5 Ų | 95.5 | 57% | 0.57 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -65.6 | -37.6 | 174.7 | -68.9 | -70 | -9.3 | 0 | 0 | 111.2 | H948 V949 R955 L956 | H948-Q952 WeakPolarHBondContact O-CB 3.26Å; H948-Q952 WeakPolarHBondContact O-CG 3.44Å; H948-Q952 PolarHBondContact O-N 3.21Å; V949-Q952 PolarHBondContact O-N 3.47Å; Q952-R955 PolarHBondContact O-N 2.78Å; Q952-L956 VanDerWaalsContact O-CB 3.24Å; Q952-L956 WeakPolarHBondContact O-CB 3.39Å; Q952-L956 PolarHBondContact O-N 3.07Å |
| 953 | E | 80.4 | Confident | 80.9 | Confident | 55 Ų | 55 | 94.1 Ų | 94.1 | 26% | 0.257 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.8 | -41.3 | 170.8 | -93.8 | -156.1 | -148 | 0 | 0 | 112.1 | V949 E950 E951 K957 | V949-E953 WeakPolarHBondContact O-CB 3.48Å; V949-E953 PolarHBondContact O-N 3.34Å; E950-E953 WeakPolarHBondContact O-CB 3.3Å; E950-E953 PolarHBondContact O-N 2.96Å; E951-E953 VanDerWaalsContact C-N 3.34Å; E953-K957 VanDerWaalsContact O-CD 3.27Å; E953-K957 WeakPolarHBondContact O-CD 3.34Å; E953-K957 WeakPolarHBondContact O-CG 3.21Å; E953-K957 PolarHBondContact O-N 2.89Å; E953-K957 VanDerWaalsContact O-N 3.1Å; E953-K957 WeakPolarHBondContact OE2-CE 3.38Å; E953-K957 IonicContact OE2-NZ 2.63Å; E953-K957 PolarHBondContact OE2-NZ 2.96Å |
| 954 | T | 82 | Confident | 81.4 | Confident | 70 Ų | 70 | 96.4 Ų | 96.4 | 43% | 0.429 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.9 | -45.6 | 176.4 | 50.4 | 0 | 0 | 0 | 0 | 111.8 | E950 E951 L956 K957 E958 | E950-T954 PolarHBondContact O-N 2.83Å; E950-T954 PolarHBondContact O-OG1 2.95Å; E951-T954 WeakPolarHBondContact CA-OG1 3.43Å; E951-T954 PolarHBondContact O-N 3.33Å; E951-T954 PolarHBondContact O-OG1 3.44Å; T954-L956 VanDerWaalsContact C-N 3.31Å; T954-L956 PolarHBondContact O-N 3.31Å; T954-K957 PolarHBondContact O-N 3.4Å; T954-K957 VanDerWaalsContact O-N 3.14Å; T954-E958 WeakPolarHBondContact O-CG 3.17Å; T954-E958 PolarHBondContact O-N 3.4Å |
| 955 | R | 82.1 | Confident | 81.8 | Confident | 134 Ų | 134 | 94.8 Ų | 94.8 | 51% | 0.506 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.5 | -37.8 | 177.5 | -70.7 | 169.8 | 177.8 | -130 | 8.6 | 112 | E951 Q952 E958 A959 | E951-R955 WeakPolarHBondContact O-CB 3.43Å; E951-R955 VanDerWaalsContact O-CG 3.31Å; E951-R955 WeakPolarHBondContact O-CG 3.44Å; E951-R955 PolarHBondContact O-N 3.36Å; E951-R955 IonicContact OE1-CZ 3.7Å; E951-R955 VanDerWaalsContact OE1-CZ 3.23Å; E951-R955 IonicContact OE1-NE 2.83Å; E951-R955 PolarHBondContact OE1-NE 2.96Å; E951-R955 IonicContact OE1-NH2 3.93Å; E951-R955 PolarHBondContact OE1-NH2 3.45Å; Q952-R955 PolarHBondContact O-N 2.78Å; R955-E958 PolarHBondContact O-N 3.29Å; R955-A959 VanDerWaalsContact O-CB 3.32Å; R955-A959 WeakPolarHBondContact O-CB 3.27Å; R955-A959 PolarHBondContact O-N 2.96Å |
| 956 | L | 85.4 | Confident | 82.3 | Confident | 96 Ų | 96 | 97.6 Ų | 97.6 | 50% | 0.503 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.8 | -37.6 | 175.5 | -171.6 | 70.5 | 0 | 0 | 0 | 112.2 | Q952 T954 K960 | Q952-L956 VanDerWaalsContact O-CB 3.24Å; Q952-L956 WeakPolarHBondContact O-CB 3.39Å; Q952-L956 PolarHBondContact O-N 3.07Å; T954-L956 VanDerWaalsContact C-N 3.31Å; T954-L956 PolarHBondContact O-N 3.31Å; L956-K960 WeakPolarHBondContact O-CB 3.38Å; L956-K960 WeakPolarHBondContact O-CG 3.4Å; L956-K960 PolarHBondContact O-N 3.37Å |
| 957 | K | 87.1 | Confident | 82.6 | Confident | 122 Ų | 122 | 97.5 Ų | 97.5 | 53% | 0.53 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.3 | -41.5 | 175 | -70.8 | 160.5 | -165.1 | 163.4 | 0 | 111.5 | E953 T954 A961 | E953-K957 VanDerWaalsContact O-CD 3.27Å; E953-K957 WeakPolarHBondContact O-CD 3.34Å; E953-K957 WeakPolarHBondContact O-CG 3.21Å; E953-K957 PolarHBondContact O-N 2.89Å; E953-K957 VanDerWaalsContact O-N 3.1Å; E953-K957 WeakPolarHBondContact OE2-CE 3.38Å; E953-K957 IonicContact OE2-NZ 2.63Å; E953-K957 PolarHBondContact OE2-NZ 2.96Å; T954-K957 PolarHBondContact O-N 3.4Å; T954-K957 VanDerWaalsContact O-N 3.14Å; K957-A961 WeakPolarHBondContact O-CB 3.47Å; K957-A961 PolarHBondContact O-N 3.1Å |
| 958 | E | 84 | Confident | 82.9 | Confident | 135 Ų | 135 | 95.3 Ų | 95.3 | 63% | 0.631 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.5 | -44 | 173.7 | -72.1 | 177.3 | 171.7 | 0 | 0 | 111.8 | T954 R955 A961 L962 | T954-E958 WeakPolarHBondContact O-CG 3.17Å; T954-E958 PolarHBondContact O-N 3.4Å; R955-E958 PolarHBondContact O-N 3.29Å; E958-A961 PolarHBondContact O-N 2.83Å; E958-L962 WeakPolarHBondContact O-CB 3.49Å; E958-L962 PolarHBondContact O-N 3.15Å |
| 959 | A | 84 | Confident | 83 | Confident | 46 Ų | 46 | 93.1 Ų | 93.1 | 38% | 0.38 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.1 | -49.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | R955 A961 L962 E963 | R955-A959 VanDerWaalsContact O-CB 3.32Å; R955-A959 WeakPolarHBondContact O-CB 3.27Å; R955-A959 PolarHBondContact O-N 2.96Å; A959-A961 VanDerWaalsContact C-N 3.34Å; A959-A961 PolarHBondContact O-N 3.38Å; A959-L962 PolarHBondContact O-N 3.35Å; A959-L962 VanDerWaalsContact O-N 3.14Å; A959-E963 PolarHBondContact O-N 3.22Å |
| 960 | K | 87.2 | Confident | 82.9 | Confident | 129 Ų | 129 | 94.4 Ų | 94.4 | 56% | 0.561 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.8 | -35.9 | 177.4 | -73.1 | -170.1 | 175.7 | -164.6 | 0 | 113 | L956 E963 Q964 | L956-K960 WeakPolarHBondContact O-CB 3.38Å; L956-K960 WeakPolarHBondContact O-CG 3.4Å; L956-K960 PolarHBondContact O-N 3.37Å; K960-E963 PolarHBondContact O-N 2.93Å; K960-Q964 WeakPolarHBondContact O-CB 3.35Å; K960-Q964 PolarHBondContact O-N 3.49Å |
| 961 | A | 84.3 | Confident | 82.7 | Confident | 62 Ų | 62 | 93.9 Ų | 93.9 | 51% | 0.512 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66 | -37.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K957 E958 A959 A965 | K957-A961 WeakPolarHBondContact O-CB 3.47Å; K957-A961 PolarHBondContact O-N 3.1Å; E958-A961 PolarHBondContact O-N 2.83Å; A959-A961 VanDerWaalsContact C-N 3.34Å; A959-A961 PolarHBondContact O-N 3.38Å; A961-A965 WeakPolarHBondContact O-CB 3.33Å; A961-A965 PolarHBondContact O-N 2.86Å |
| 962 | L | 85.2 | Confident | 82.4 | Confident | 105 Ų | 105 | 94.1 Ų | 94.1 | 55% | 0.55 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -71.5 | -35.9 | 177 | -166.7 | 154.1 | 0 | 0 | 0 | 111.8 | E958 A959 K966 | E958-L962 WeakPolarHBondContact O-CB 3.49Å; E958-L962 PolarHBondContact O-N 3.15Å; A959-L962 PolarHBondContact O-N 3.35Å; A959-L962 VanDerWaalsContact O-N 3.14Å; L962-K966 HydrophobicContact CD2-CD 4.02Å; L962-K966 VanDerWaalsContact CD2-CE 3.45Å; L962-K966 HydrophobicContact CD2-CG 4.41Å; L962-K966 WeakPolarHBondContact O-CG 3.49Å; L962-K966 PolarHBondContact O-N 2.96Å |
| 963 | E | 82.6 | Confident | 82 | Confident | 121 Ų | 121 | 92 Ų | 92 | 57% | 0.565 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -68.6 | -42.7 | 171.8 | -72 | -174 | 147.1 | 0 | 0 | 112.7 | A959 K960 A965 K966 L967 | A959-E963 PolarHBondContact O-N 3.22Å; K960-E963 PolarHBondContact O-N 2.93Å; E963-A965 VanDerWaalsContact C-N 3.33Å; E963-A965 PolarHBondContact O-N 3.17Å; E963-K966 WeakPolarHBondContact O-CB 3.32Å; E963-K966 PolarHBondContact O-N 3.23Å; E963-L967 PolarHBondContact O-N 2.85Å |
| 964 | Q | 84 | Confident | 81.7 | Confident | 99 Ų | 99 | 94.5 Ų | 94.5 | 46% | 0.463 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 172.5 | -173.4 | 63 | 50.3 | 0 | 0 | 110.9 | K960 K966 L967 D968 | K960-Q964 WeakPolarHBondContact O-CB 3.35Å; K960-Q964 PolarHBondContact O-N 3.49Å; Q964-K966 VanDerWaalsContact C-N 3.3Å; Q964-K966 PolarHBondContact O-N 2.9Å; Q964-L967 PolarHBondContact O-N 3.47Å; Q964-L967 VanDerWaalsContact O-N 3.09Å; Q964-D968 PolarHBondContact NE2-OD1 3.28Å; Q964-D968 WeakPolarHBondContact O-CB 3.49Å; Q964-D968 VanDerWaalsContact O-CG 3.24Å; Q964-D968 PolarHBondContact O-N 3.15Å |
| 965 | A | 82.1 | Confident | 81.3 | Confident | 58 Ų | 58 | 96.7 Ų | 96.7 | 48% | 0.479 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.6 | -33.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A961 E963 A969 | A961-A965 WeakPolarHBondContact O-CB 3.33Å; A961-A965 PolarHBondContact O-N 2.86Å; E963-A965 VanDerWaalsContact C-N 3.33Å; E963-A965 PolarHBondContact O-N 3.17Å; A965-A969 VanDerWaalsContact O-CB 3.23Å; A965-A969 WeakPolarHBondContact O-CB 3.47Å; A965-A969 PolarHBondContact O-N 3.33Å |
| 966 | K | 83.4 | Confident | 80.5 | Confident | 111 Ų | 111 | 94.7 Ų | 94.7 | 48% | 0.483 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.5 | -44.6 | 170 | -76.7 | 168.2 | 173.5 | 170.3 | 0 | 111.7 | L962 E963 Q964 A969 L970 | L962-K966 HydrophobicContact CD2-CD 4.02Å; L962-K966 VanDerWaalsContact CD2-CE 3.45Å; L962-K966 HydrophobicContact CD2-CG 4.41Å; L962-K966 WeakPolarHBondContact O-CG 3.49Å; L962-K966 PolarHBondContact O-N 2.96Å; E963-K966 WeakPolarHBondContact O-CB 3.32Å; E963-K966 PolarHBondContact O-N 3.23Å; Q964-K966 VanDerWaalsContact C-N 3.3Å; Q964-K966 PolarHBondContact O-N 2.9Å; K966-A969 PolarHBondContact O-N 2.94Å; K966-L970 WeakPolarHBondContact O-CB 3.48Å; K966-L970 WeakPolarHBondContact O-CG 3.22Å; K966-L970 PolarHBondContact O-N 3.23Å |
| 967 | L | 84.4 | Confident | 79.2 | Confident | 95 Ų | 95 | 92.8 Ų | 92.8 | 50% | 0.497 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.5 | -45.2 | -179.7 | -170.7 | 69.1 | 0 | 0 | 0 | 111 | E963 Q964 A969 L970 M971 | E963-L967 PolarHBondContact O-N 2.85Å; Q964-L967 PolarHBondContact O-N 3.47Å; Q964-L967 VanDerWaalsContact O-N 3.09Å; L967-A969 PolarHBondContact O-N 2.96Å; L967-L970 PolarHBondContact O-N 3.45Å; L967-M971 WeakPolarHBondContact O-CB 3.47Å; L967-M971 WeakPolarHBondContact O-CG 3.45Å; L967-M971 PolarHBondContact O-N 3.2Å |
| 968 | D | 82.5 | Confident | 78 | Confident | 81 Ų | 81 | 93.7 Ų | 93.7 | 43% | 0.433 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.2 | -44 | 175.7 | -65.5 | -21.2 | 0 | 0 | 0 | 111.1 | Q964 L970 M971 D972 | Q964-D968 PolarHBondContact NE2-OD1 3.28Å; Q964-D968 WeakPolarHBondContact O-CB 3.49Å; Q964-D968 VanDerWaalsContact O-CG 3.24Å; Q964-D968 PolarHBondContact O-N 3.15Å; D968-L970 PolarHBondContact O-N 3.06Å; D968-M971 PolarHBondContact O-N 3.43Å; D968-D972 PolarHBondContact O-N 2.98Å |
| 969 | A | 79.3 | Confident | 76.8 | Confident | 60 Ų | 60 | 91.2 Ų | 91.2 | 50% | 0.496 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.2 | -37.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | A965 K966 L967 L973 | A965-A969 VanDerWaalsContact O-CB 3.23Å; A965-A969 WeakPolarHBondContact O-CB 3.47Å; A965-A969 PolarHBondContact O-N 3.33Å; K966-A969 PolarHBondContact O-N 2.94Å; L967-A969 PolarHBondContact O-N 2.96Å; A969-L973 VanDerWaalsContact O-CB 3.31Å; A969-L973 WeakPolarHBondContact O-CB 3.5Å; A969-L973 PolarHBondContact O-N 2.89Å |
| 970 | L | 78 | Confident | 75.1 | Confident | 109 Ų | 109 | 90.9 Ų | 90.9 | 57% | 0.571 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -68.4 | -39.6 | 173.6 | -75.2 | 169.8 | 0 | 0 | 0 | 111.9 | K966 L967 D968 L973 Q974 | K966-L970 WeakPolarHBondContact O-CB 3.48Å; K966-L970 WeakPolarHBondContact O-CG 3.22Å; K966-L970 PolarHBondContact O-N 3.23Å; L967-L970 PolarHBondContact O-N 3.45Å; D968-L970 PolarHBondContact O-N 3.06Å; L970-L973 PolarHBondContact O-N 2.95Å; L970-Q974 WeakPolarHBondContact O-CB 3.29Å; L970-Q974 PolarHBondContact O-N 3.15Å |
| 971 | M | 77.2 | Confident | 73.6 | Confident | 82 Ų | 82 | 90 Ų | 90 | 40% | 0.404 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.2 | -39.1 | 174.9 | -74 | -55.6 | -48.9 | 0 | 0 | 112 | L967 D968 Q974 K975 | L967-M971 WeakPolarHBondContact O-CB 3.47Å; L967-M971 WeakPolarHBondContact O-CG 3.45Å; L967-M971 PolarHBondContact O-N 3.2Å; D968-M971 PolarHBondContact O-N 3.43Å; M971-Q974 PolarHBondContact O-N 3.11Å; M971-K975 VanDerWaalsContact O-CG 3.27Å; M971-K975 WeakPolarHBondContact O-CG 3.39Å; M971-K975 PolarHBondContact O-N 2.95Å |
| 972 | D | 74.5 | Confident | 72.1 | Confident | 84 Ų | 84 | 90.8 Ų | 90.8 | 45% | 0.449 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71.9 | -36.2 | 174.4 | -81 | -4 | 0 | 0 | 0 | 112.2 | D968 Q974 K975 L976 | D968-D972 PolarHBondContact O-N 2.98Å; D972-Q974 VanDerWaalsContact C-N 3.31Å; D972-Q974 PolarHBondContact O-N 2.96Å; D972-K975 PolarHBondContact O-N 3.11Å; D972-K975 WeakPolarHBondContact OD1-CD 3.31Å; D972-K975 WeakPolarHBondContact OD1-CE 3.41Å; D972-K975 IonicContact OD1-NZ 3.62Å; D972-K975 PolarHBondContact OD1-NZ 3.45Å; D972-L976 WeakPolarHBondContact O-CB 3.49Å; D972-L976 VanDerWaalsContact O-CG 3.3Å; D972-L976 WeakPolarHBondContact O-CG 3.31Å; D972-L976 PolarHBondContact O-N 2.92Å |
| 973 | L | 71.5 | Confident | 70.6 | Confident | 79 Ų | 79 | 92.2 Ų | 92.2 | 41% | 0.414 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.6 | -41.5 | 169.7 | -167 | 78.1 | 0 | 0 | 0 | 111.1 | A969 L970 L976 T977 L993 | A969-L973 VanDerWaalsContact O-CB 3.31Å; A969-L973 WeakPolarHBondContact O-CB 3.5Å; A969-L973 PolarHBondContact O-N 2.89Å; L970-L973 PolarHBondContact O-N 2.95Å; L973-L976 PolarHBondContact O-N 3.34Å; L973-T977 WeakPolarHBondContact O-CB 3.38Å; L973-T977 PolarHBondContact O-N 3.5Å; L973-T977 PolarHBondContact O-OG1 3.08Å; L973-L993 HydrophobicContact CD1-CD1 4.27Å |
| 974 | Q | 74.9 | Confident | 69 | Low | 106 Ų | 106 | 89.6 Ų | 89.6 | 50% | 0.495 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.7 | -43.8 | 176.1 | -167.7 | -177.3 | 18.2 | 0 | 0 | 111.5 | L970 M971 D972 L976 T977 L978 | L970-Q974 WeakPolarHBondContact O-CB 3.29Å; L970-Q974 PolarHBondContact O-N 3.15Å; M971-Q974 PolarHBondContact O-N 3.11Å; D972-Q974 VanDerWaalsContact C-N 3.31Å; D972-Q974 PolarHBondContact O-N 2.96Å; Q974-L976 PolarHBondContact O-N 2.85Å; Q974-T977 PolarHBondContact O-N 2.96Å; Q974-L978 HydrophobicContact CG-CD1 4.18Å; Q974-L978 WeakPolarHBondContact O-CB 3.43Å; Q974-L978 WeakPolarHBondContact O-CG 3.43Å; Q974-L978 PolarHBondContact O-N 2.93Å |
| 975 | K | 74 | Confident | 67.3 | Low | 117 Ų | 117 | 92.5 Ų | 92.5 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.4 | -46.6 | 173.5 | -68.8 | 164.8 | -151.1 | 163.5 | 0 | 111.4 | M971 D972 L978 A979 | M971-K975 VanDerWaalsContact O-CG 3.27Å; M971-K975 WeakPolarHBondContact O-CG 3.39Å; M971-K975 PolarHBondContact O-N 2.95Å; D972-K975 PolarHBondContact O-N 3.11Å; D972-K975 WeakPolarHBondContact OD1-CD 3.31Å; D972-K975 WeakPolarHBondContact OD1-CE 3.41Å; D972-K975 IonicContact OD1-NZ 3.62Å; D972-K975 PolarHBondContact OD1-NZ 3.45Å; K975-L978 PolarHBondContact O-N 3.44Å; K975-A979 WeakPolarHBondContact O-CB 3.31Å; K975-A979 PolarHBondContact O-N 2.86Å |
| 976 | L | 64.1 | Low | 65.8 | Low | 92 Ų | 92 | 94.7 Ų | 94.7 | 48% | 0.482 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.9 | -38.1 | 177.5 | -71.6 | 167 | 0 | 0 | 0 | 112.6 | D972 L973 Q974 L978 A979 S980 M989 | D972-L976 WeakPolarHBondContact O-CB 3.49Å; D972-L976 VanDerWaalsContact O-CG 3.3Å; D972-L976 WeakPolarHBondContact O-CG 3.31Å; D972-L976 PolarHBondContact O-N 2.92Å; L973-L976 PolarHBondContact O-N 3.34Å; Q974-L976 PolarHBondContact O-N 2.85Å; L976-L978 VanDerWaalsContact C-N 3.34Å; L976-A979 PolarHBondContact O-N 3.11Å; L976-S980 PolarHBondContact O-N 3.43Å; L976-S980 VanDerWaalsContact O-N 3.15Å; L976-M989 HydrophobicContact CD1-SD 4.25Å |
| 977 | T | 59.4 | Low | 64.2 | Low | 55 Ų | 55 | 93.6 Ų | 93.6 | 34% | 0.337 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66 | -34.9 | 177.1 | -62.9 | 0 | 0 | 0 | 0 | 112.1 | L973 Q974 R986 | L973-T977 WeakPolarHBondContact O-CB 3.38Å; L973-T977 PolarHBondContact O-N 3.5Å; L973-T977 PolarHBondContact O-OG1 3.08Å; Q974-T977 PolarHBondContact O-N 2.96Å; T977-R986 PolarHBondContact O-NH2 3.46Å |
| 978 | L | 61.7 | Low | 62.7 | Low | 141 Ų | 141 | 97.3 Ų | 97.3 | 74% | 0.738 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -81.5 | -31.4 | 174.5 | -68.2 | 169.3 | 0 | 0 | 0 | 112.8 | Q974 K975 L976 | Q974-L978 HydrophobicContact CG-CD1 4.18Å; Q974-L978 WeakPolarHBondContact O-CB 3.43Å; Q974-L978 WeakPolarHBondContact O-CG 3.43Å; Q974-L978 PolarHBondContact O-N 2.93Å; K975-L978 PolarHBondContact O-N 3.44Å; L976-L978 VanDerWaalsContact C-N 3.34Å |
| 979 | A | 58.4 | Low | 61.2 | Low | 84 Ų | 84 | 97.7 Ų | 97.7 | 69% | 0.694 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -82.9 | -8.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | K975 L976 | K975-A979 WeakPolarHBondContact O-CB 3.31Å; K975-A979 PolarHBondContact O-N 2.86Å; L976-A979 PolarHBondContact O-N 3.11Å |
| 980 | S | 48.2 | Very low | 60 | Low | 39 Ų | 39 | 100.8 Ų | 100.8 | 27% | 0.273 | 54% | 0.536 | S | S | . | . | | | trans | -135 | 107.3 | 177.2 | -161.8 | 0 | 0 | 0 | 0 | 111.8 | L976 D982 | L976-S980 PolarHBondContact O-N 3.43Å; L976-S980 VanDerWaalsContact O-N 3.15Å; S980-D982 PolarHBondContact O-N 3.44Å |
| 981 | P | 54.8 | Low | 58.7 | Low | 110 Ų | 110 | 98 Ų | 98 | 71% | 0.714 | 53% | 0.529 | S | S | * | . | | | trans | -76 | -9.9 | 174.7 | 31.4 | -34.8 | 0 | 0 | 0 | 113.2 | L983 | P981-L983 PolarHBondContact O-N 2.85Š|
| 982 | D | 53.4 | Low | 57.5 | Low | 79 Ų | 79 | 96.8 Ų | 96.8 | 42% | 0.422 | 53% | 0.532 | S | S | . | . | | | trans | -67.7 | 89.2 | 178.4 | -72.5 | -10.2 | 0 | 0 | 0 | 111.7 | S980 G984 R985 | S980-D982 PolarHBondContact O-N 3.44Å; D982-G984 PolarHBondContact O-N 2.91Å; D982-G984 VanDerWaalsContact O-N 3.11Å; D982-R985 HydrophobicContact CB-CB 4.33Å; D982-R985 HydrophobicContact CB-CG 3.9Å; D982-R985 PolarHBondContact O-N 2.84Å; D982-R985 IonicContact OD2-CZ 3.61Å; D982-R985 IonicContact OD2-NE 3.38Å; D982-R985 PolarHBondContact OD2-NE 3.09Å; D982-R985 IonicContact OD2-NH2 2.93Å |
| 983 | L | 55 | Low | 56.5 | Low | 134 Ų | 134 | 96.7 Ų | 96.7 | 70% | 0.702 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -46.4 | -42.2 | 173.5 | -77.2 | 136.1 | 0 | 0 | 0 | 112.6 | P981 R985 R986 | P981-L983 PolarHBondContact O-N 2.85Å; L983-R985 PolarHBondContact O-N 2.86Å; L983-R985 VanDerWaalsContact O-N 3.1Å; L983-R986 WeakPolarHBondContact O-CB 3.44Å; L983-R986 PolarHBondContact O-N 2.81Å |
| 984 | G | 47.9 | Very low | 55.8 | Low | 67 Ų | 67 | 97.2 Ų | 97.2 | 69% | 0.691 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.4 | -11 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | D982 | D982-G984 PolarHBondContact O-N 2.91Å; D982-G984 VanDerWaalsContact O-N 3.11Å |
| 985 | R | 48.8 | Very low | 54.7 | Low | 160 Ų | 160 | 98.8 Ų | 98.8 | 60% | 0.604 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -87.1 | -24.2 | 172 | -68.6 | -174.8 | -172.4 | -118.4 | -0.7 | 113.2 | D982 L983 K988 M989 | D982-R985 HydrophobicContact CB-CB 4.33Å; D982-R985 HydrophobicContact CB-CG 3.9Å; D982-R985 PolarHBondContact O-N 2.84Å; D982-R985 IonicContact OD2-CZ 3.61Å; D982-R985 IonicContact OD2-NE 3.38Å; D982-R985 PolarHBondContact OD2-NE 3.09Å; D982-R985 IonicContact OD2-NH2 2.93Å; L983-R985 PolarHBondContact O-N 2.86Å; L983-R985 VanDerWaalsContact O-N 3.1Å; R985-K988 PolarHBondContact O-N 3.31Å; R985-M989 PolarHBondContact O-N 3.07Å |
| 986 | R | 51.3 | Low | 53.6 | Low | 103 Ų | 103 | 96.5 Ų | 96.5 | 39% | 0.389 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.5 | -54.3 | -171.5 | -63.8 | -174.3 | 179.2 | -175.8 | -1.1 | 112 | T977 L983 K988 M989 E990 | T977-R986 PolarHBondContact O-NH2 3.46Å; L983-R986 WeakPolarHBondContact O-CB 3.44Å; L983-R986 PolarHBondContact O-N 2.81Å; R986-K988 PolarHBondContact O-N 3.49Å; R986-K988 VanDerWaalsContact O-N 3.1Å; R986-M989 WeakPolarHBondContact O-CB 3.26Å; R986-M989 PolarHBondContact O-N 3.39Å; R986-E990 PolarHBondContact O-N 2.83Å |
| 987 | C | 49.7 | Very low | 52.8 | Low | 88 Ų | 88 | 97.8 Ų | 97.8 | 60% | 0.595 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -57.2 | -32.1 | -178.3 | -48.2 | 0 | 0 | 0 | 0 | 113.7 | A991 | C987-A991 WeakPolarHBondContact O-CB 3.28Å; C987-A991 PolarHBondContact O-N 2.98Å; C987-A991 VanDerWaalsContact O-N 3.13Å |
| 988 | K | 52.9 | Low | 51.9 | Low | 174 Ų | 174 | 100.4 Ų | 100.4 | 76% | 0.757 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -75.1 | -27 | 176.8 | -76.2 | -177.5 | 176.8 | 174.4 | 0 | 113.4 | R985 R986 A992 | R985-K988 PolarHBondContact O-N 3.31Å; R986-K988 PolarHBondContact O-N 3.49Å; R986-K988 VanDerWaalsContact O-N 3.1Å; K988-A992 PolarHBondContact O-N 3.38Å |
| 989 | M | 50.6 | Low | 50.9 | Low | 89 Ų | 89 | 104.7 Ų | 104.7 | 44% | 0.438 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -81.2 | -38.2 | 176.7 | -159.7 | 176.8 | -59.6 | 0 | 0 | 111.1 | L976 R985 R986 A992 L993 | L976-M989 HydrophobicContact CD1-SD 4.25Å; R985-M989 PolarHBondContact O-N 3.07Å; R986-M989 WeakPolarHBondContact O-CB 3.26Å; R986-M989 PolarHBondContact O-N 3.39Å; M989-A992 WeakPolarHBondContact O-CB 3.48Å; M989-A992 PolarHBondContact O-N 3.03Å; M989-A992 VanDerWaalsContact O-N 3.09Å; M989-L993 WeakPolarHBondContact O-CG 3.38Å; M989-L993 PolarHBondContact O-N 3.14Å |
| 990 | E | 52.8 | Low | 49.9 | Very low | 124 Ų | 124 | 103.6 Ų | 103.6 | 58% | 0.579 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -63.3 | -43.8 | 175.6 | -164.4 | 157.3 | -125.1 | 0 | 0 | 112.3 | R986 A992 L993 T994 | R986-E990 PolarHBondContact O-N 2.83Å; E990-A992 PolarHBondContact O-N 3.33Å; E990-L993 PolarHBondContact O-N 2.72Å; E990-T994 PolarHBondContact O-N 3.33Å; E990-T994 VanDerWaalsContact O-N 3.08Å; E990-T994 PolarHBondContact O-OG1 3.34Å |
| 991 | A | 52 | Low | 49.3 | Very low | 52 Ų | 52 | 106.1 Ų | 106.1 | 43% | 0.43 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64.7 | -24.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | C987 T994 N995 | C987-A991 WeakPolarHBondContact O-CB 3.28Å; C987-A991 PolarHBondContact O-N 2.98Å; C987-A991 VanDerWaalsContact O-N 3.13Å; A991-T994 WeakPolarHBondContact CA-OG1 3.44Å; A991-T994 PolarHBondContact O-OG1 3.09Å; A991-N995 PolarHBondContact O-ND2 2.83Å |
| 992 | A | 52.7 | Low | 48.7 | Very low | 56 Ų | 56 | 106 Ų | 106 | 46% | 0.463 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -80.7 | -40.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K988 M989 E990 N995 A996 | K988-A992 PolarHBondContact O-N 3.38Å; M989-A992 WeakPolarHBondContact O-CB 3.48Å; M989-A992 PolarHBondContact O-N 3.03Å; M989-A992 VanDerWaalsContact O-N 3.09Å; E990-A992 PolarHBondContact O-N 3.33Å; A992-N995 PolarHBondContact O-N 3.45Å; A992-A996 WeakPolarHBondContact O-CB 3.15Å; A992-A996 PolarHBondContact O-N 3.02Å; A992-A996 VanDerWaalsContact O-N 3.09Å |
| 993 | L | 52.6 | Low | 48 | Very low | 81 Ų | 81 | 112.3 Ų | 112.3 | 42% | 0.424 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -66.6 | -41.3 | 179.3 | -74.8 | 165.5 | 0 | 0 | 0 | 112.6 | L973 M989 E990 N995 A996 L997 | L973-L993 HydrophobicContact CD1-CD1 4.27Å; M989-L993 WeakPolarHBondContact O-CG 3.38Å; M989-L993 PolarHBondContact O-N 3.14Å; E990-L993 PolarHBondContact O-N 2.72Å; L993-N995 PolarHBondContact O-N 2.89Å; L993-A996 PolarHBondContact O-N 3.19Å; L993-L997 PolarHBondContact O-N 3.07Å |
| 994 | T | 56.6 | Low | 47 | Very low | 90 Ų | 90 | 114.3 Ų | 114.3 | 55% | 0.552 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -61.5 | -29 | 174.1 | 41.1 | 0 | 0 | 0 | 0 | 113.3 | E990 A991 | E990-T994 PolarHBondContact O-N 3.33Å; E990-T994 VanDerWaalsContact O-N 3.08Å; E990-T994 PolarHBondContact O-OG1 3.34Å; A991-T994 WeakPolarHBondContact CA-OG1 3.44Å; A991-T994 PolarHBondContact O-OG1 3.09Å |
| 995 | N | 52.6 | Low | 46.5 | Very low | 140 Ų | 140 | 117 Ų | 117 | 75% | 0.749 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -85.5 | -15.6 | 173 | -78 | -76 | 0 | 0 | 0 | 113.8 | A991 A992 L993 | A991-N995 PolarHBondContact O-ND2 2.83Å; A992-N995 PolarHBondContact O-N 3.45Å; L993-N995 PolarHBondContact O-N 2.89Å |
| 996 | A | 49.7 | Very low | 45.9 | Very low | 68 Ų | 68 | 120.7 Ų | 120.7 | 56% | 0.562 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -90.6 | -13.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | A992 L993 P998 | A992-A996 WeakPolarHBondContact O-CB 3.15Å; A992-A996 PolarHBondContact O-N 3.02Å; A992-A996 VanDerWaalsContact O-N 3.09Å; L993-A996 PolarHBondContact O-N 3.19Å; A996-P998 WeakPolarHBondContact O-CD 3.39Å |
| 997 | L | 47.3 | Very low | 45.6 | Very low | 120 Ų | 120 | 121.6 Ų | 121.6 | 63% | 0.628 | 66% | 0.664 | S | S | * | * | | | trans | -115.4 | 67.8 | -175.8 | -70 | 171.2 | 0 | 0 | 0 | 113.1 | L993 Y999 | L993-L997 PolarHBondContact O-N 3.07Å; L997-Y999 PolarHBondContact O-N 2.8Å |
| 998 | P | 40.8 | Very low | 45.4 | Very low | 110 Ų | 110 | 123.4 Ų | 123.4 | 71% | 0.714 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 23.7 | -176.1 | 33.3 | -38.5 | 0 | 0 | 0 | 114.9 | A996 | A996-P998 WeakPolarHBondContact O-CD 3.39Š|
| 999 | Y | 40.8 | Very low | 45 | Very low | 230 Ų | 230 | 120.6 Ų | 120.6 | 90% | 0.902 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.7 | 2.4 | -171.6 | -93.7 | -77.8 | 0 | 0 | 0 | 115.8 | L997 | L997-Y999 PolarHBondContact O-N 2.8Š|
| 1000 | A | 38.6 | Very low | 44.7 | Very low | 62 Ų | 62 | 122.4 Ų | 122.4 | 51% | 0.512 | 68% | 0.676 | S | S | . | * | | | trans | -124 | 122.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | I1002 | A1000-I1002 HydrophobicContact CB-CD1 4.38Å; A1000-I1002 HydrophobicContact CB-CG1 4.32Å; A1000-I1002 PolarHBondContact O-N 3.34Å |
| 1001 | G | 35.3 | Very low | 44.2 | Very low | 91 Ų | 91 | 122.3 Ų | 122.3 | 94% | 0.938 | 68% | 0.682 | S | S | * | * | | | trans | -72.1 | 21.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | R1003 | G1001-R1003 PolarHBondContact O-N 3.26Š|
| 1002 | I | 41.3 | Very low | 43.7 | Very low | 107 Ų | 107 | 127 Ų | 127 | 55% | 0.549 | 70% | 0.699 | S | S | . | * | | | trans | -90.4 | 100.2 | -175.4 | -56.5 | 174 | 0 | 0 | 0 | 107.7 | A1000 F1004 | A1000-I1002 HydrophobicContact CB-CD1 4.38Å; A1000-I1002 HydrophobicContact CB-CG1 4.32Å; A1000-I1002 PolarHBondContact O-N 3.34Å; I1002-F1004 HydrophobicContact CG2-CD2 3.94Å; I1002-F1004 HydrophobicContact CG2-CE2 3.73Å; I1002-F1004 HydrophobicContact CG2-CZ 4.21Å; I1002-F1004 PolarHBondContact O-N 3.16Å |
| 1003 | R | 38 | Very low | 43 | Very low | 213 Ų | 213 | 132.1 Ų | 132.1 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | | | trans | -72.4 | 110.5 | 159.4 | -66.9 | -174.6 | -178.9 | -166.8 | 1 | 107.4 | G1001 L1005 | G1001-R1003 PolarHBondContact O-N 3.26Å; R1003-L1005 HydrophobicContact CB-CD1 4.24Å; R1003-L1005 HydrophobicContact CB-CG 4.46Å |
| 1004 | F | 34 | Very low | 42.3 | Very low | 175 Ų | 175 | 136 Ų | 136 | 77% | 0.768 | 74% | 0.738 | S | S | * | * | | | trans | -72.2 | 123 | 153.9 | -72.1 | -90.7 | 0 | 0 | 0 | 106.9 | I1002 | I1002-F1004 HydrophobicContact CG2-CD2 3.94Å; I1002-F1004 HydrophobicContact CG2-CE2 3.73Å; I1002-F1004 HydrophobicContact CG2-CZ 4.21Å; I1002-F1004 PolarHBondContact O-N 3.16Å |
| 1005 | L | 37.6 | Very low | 41.1 | Very low | 125 Ų | 125 | 139.8 Ų | 139.8 | 65% | 0.654 | 75% | 0.754 | S | S | * | * | | | trans | -144.6 | 117.1 | 175 | -87.3 | 168.2 | 0 | 0 | 0 | 106.6 | R1003 | R1003-L1005 HydrophobicContact CB-CD1 4.24Å; R1003-L1005 HydrophobicContact CB-CG 4.46Å |
| 1006 | D | 36.9 | Very low | 40 | Very low | 237 Ų | 237 | 139.8 Ų | 139.8 | 100% | 1.267 | 75% | 0.754 | S | S | * | * | | | trans | 35.8 | 0 | 165.9 | -50.5 | -12.8 | 0 | 0 | 0 | 118.5 | | |