| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 29.3 | Very low | 30.7 | Very low | 227 Ų | 227 | 144.6 Ų | 144.6 | 100% | 1.118 | 79% | 0.791 | S | S | * | * | 0 | 88.5 | 0 | -62 | 168.4 | 178.7 | 0 | 0 | 108.2 | |||||
| 2 | E | 31.5 | Very low | 30.7 | Very low | 158 Ų | 158 | 144.1 Ų | 144.1 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | cis | -161.1 | 116.9 | -10.1 | -113.9 | 141.2 | 117.4 | 0 | 0 | 105.5 | ||||
| 3 | T | 37 | Very low | 30.5 | Very low | 97 Ų | 97 | 142.8 Ų | 142.8 | 60% | 0.595 | 80% | 0.802 | S | S | * | * | 67.9 | 110.5 | 104.2 | 57.7 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 4 | E | 31 | Very low | 30.4 | Very low | 168 Ų | 168 | 137.6 Ų | 137.6 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | 87.3 | 160.3 | 91.2 | 92.1 | -165.8 | 16.9 | 0 | 0 | 112.3 | |||||
| 5 | S | 32.8 | Very low | 30.3 | Very low | 100 Ų | 100 | 137.4 Ų | 137.4 | 70% | 0.699 | 81% | 0.807 | S | S | * | * | cis | -158.5 | 165.5 | -34.1 | -100.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 6 | E | 32.8 | Very low | 30.7 | Very low | 179 Ų | 179 | 136 Ų | 136 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | trans | 9.8 | 139.8 | 160.9 | -59.1 | 175.1 | 78.4 | 0 | 0 | 122.5 | ||||
| 7 | Q | 30.6 | Very low | 30.8 | Very low | 204 Ų | 204 | 134.5 Ų | 134.5 | 95% | 0.953 | 80% | 0.804 | S | S | * | * | -170.1 | 171.5 | 115.7 | -106.2 | 178.5 | 25.1 | 0 | 0 | 114.3 | |||||
| 8 | N | 27.2 | Very low | 31.1 | Very low | 141 Ų | 141 | 133.4 Ų | 133.4 | 75% | 0.754 | 80% | 0.804 | S | S | * | * | trans | -140.1 | 129.2 | -161.5 | -178.5 | 18.6 | 0 | 0 | 0 | 114.1 | ||||
| 9 | S | 32.5 | Very low | 31.7 | Very low | 97 Ų | 97 | 130.9 Ų | 130.9 | 68% | 0.678 | 81% | 0.809 | S | S | * | * | trans | 56.5 | 140.7 | 155.8 | -67.1 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 10 | S | 26.2 | Very low | 31.8 | Very low | 121 Ų | 121 | 128.3 Ų | 128.3 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | trans | 74.1 | 158 | 161.3 | 86.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 11 | S | 27.2 | Very low | 32 | Very low | 99 Ų | 99 | 127.7 Ų | 127.7 | 69% | 0.692 | 81% | 0.809 | S | S | * | * | cis | -148.5 | 151.9 | 3.4 | 63.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 12 | T | 30.1 | Very low | 32.5 | Very low | 138 Ų | 138 | 123.6 Ų | 123.6 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | trans | 12 | 125.7 | 153.4 | 53.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 13 | S | 29.1 | Very low | 33.1 | Very low | 127 Ų | 127 | 125.8 Ų | 125.8 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | trans | -148.3 | 154.8 | 131 | 60.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 14 | G | 28.5 | Very low | 33.5 | Very low | 71 Ų | 71 | 125.5 Ų | 125.5 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | cis | 147 | 61.2 | -5.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 15 | S | 29.3 | Very low | 34.3 | Very low | 134 Ų | 134 | 124.6 Ų | 124.6 | 94% | 0.937 | 79% | 0.794 | S | S | * | * | trans | -164.1 | 155.2 | 170.9 | -85.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 16 | S | 36.5 | Very low | 35.4 | Very low | 115 Ų | 115 | 123.7 Ų | 123.7 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -124.7 | 137.2 | -168.3 | 57 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 17 | S | 31.6 | Very low | 36.3 | Very low | 110 Ų | 110 | 120 Ų | 120 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | -175.8 | 148.3 | 146.8 | 47 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 18 | S | 36.3 | Very low | 37.3 | Very low | 115 Ų | 115 | 118.3 Ų | 118.3 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | 42 | 125.7 | 154.6 | 50.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 19 | G | 43 | Very low | 38.6 | Very low | 87 Ų | 87 | 113 Ų | 113 | 90% | 0.897 | 74% | 0.737 | S | S | * | * | trans | -78.2 | 160.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 20 | G | 33.3 | Very low | 40.6 | Very low | 77 Ų | 77 | 111.1 Ų | 111.1 | 79% | 0.794 | 72% | 0.724 | S | S | * | * | trans | -173 | 140.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 21 | S | 36.7 | Very low | 42.8 | Very low | 116 Ų | 116 | 111.8 Ų | 111.8 | 81% | 0.811 | 72% | 0.718 | S | S | * | * | trans | 14.3 | 120.3 | 163.8 | -159.4 | 0 | 0 | 0 | 0 | 120 | R23 | S21-R23 PolarHBondContact O-N 2.98Š| ||
| 22 | T | 39.1 | Very low | 44.9 | Very low | 142 Ų | 142 | 116.1 Ų | 116.1 | 87% | 0.871 | 72% | 0.72 | S | S | * | * | trans | -67.1 | 96.6 | 169 | 48.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 23 | R | 43.5 | Very low | 47.3 | Very low | 204 Ų | 204 | 114.1 Ų | 114.1 | 77% | 0.77 | 70% | 0.701 | S | S | * | * | trans | -80.7 | 124.8 | 172.4 | -176.6 | -175.2 | -176.3 | -169.5 | 3.5 | 110.7 | S21 | S21-R23 PolarHBondContact O-N 2.98Š| ||
| 24 | P | 47.2 | Very low | 49.8 | Very low | 90 Ų | 90 | 112.9 Ų | 112.9 | 58% | 0.584 | 68% | 0.677 | S | S | * | * | trans | -68.4 | 146.7 | 173.2 | 28.4 | -34 | 0 | 0 | 0 | 111.6 | I26 | P24-I26 PolarHBondContact O-N 2.79Å; P24-I26 VanDerWaalsContact O-N 3.07Å | ||
| 25 | Q | 47.7 | Very low | 52.1 | Low | 150 Ų | 150 | 115.3 Ų | 115.3 | 70% | 0.701 | 67% | 0.669 | S | S | * | * | trans | -73.2 | 99.7 | 178.6 | -78.8 | -169.3 | -44.6 | 0 | 0 | 111.6 | S27 Q28 | Q25-S27 PolarHBondContact O-N 2.97Å; Q25-Q28 PolarHBondContact O-N 3.4Å | ||
| 26 | I | 55.6 | Low | 54.3 | Low | 80 Ų | 80 | 111 Ų | 111 | 41% | 0.41 | 64% | 0.642 | S | S | . | * | G | 310 helix | trans | -54.5 | -22.7 | 179.4 | -63.9 | 167.3 | 0 | 0 | 0 | 113.4 | P24 M29 R34 | P24-I26 PolarHBondContact O-N 2.79Å; P24-I26 VanDerWaalsContact O-N 3.07Å; I26-M29 WeakPolarHBondContact O-CB 3.33Å; I26-M29 PolarHBondContact O-N 3.08Å; I26-R34 HydrophobicContact CG2-CG 4.41Å; I26-R34 PolarHBondContact O-NH1 3.26Å |
| 27 | S | 50.7 | Low | 56.3 | Low | 102 Ų | 102 | 108.5 Ų | 108.5 | 71% | 0.713 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -63.8 | -45.6 | -176.8 | -175.6 | 0 | 0 | 0 | 0 | 113.7 | Q25 M29 R34 | Q25-S27 PolarHBondContact O-N 2.97Å; S27-M29 VanDerWaalsContact C-N 3.27Å; S27-M29 PolarHBondContact O-N 3.31Å; S27-R34 PolarHBondContact O-NH1 2.99Å |
| 28 | Q | 52.6 | Low | 58.4 | Low | 169 Ų | 169 | 110 Ų | 110 | 79% | 0.79 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -81 | -5.8 | -178.3 | -63.7 | -168.1 | 8.1 | 0 | 0 | 113.9 | Q25 | Q25-Q28 PolarHBondContact O-N 3.4Š|
| 29 | M | 54.5 | Low | 60 | Low | 28 Ų | 28 | 107 Ų | 107 | 14% | 0.138 | 60% | 0.599 | C | S | . | * | S | Bend | trans | -72.9 | 139.7 | -173.3 | -151.1 | 130.5 | 81.2 | 0 | 0 | 111.6 | I26 S27 E33 R34 V37 | I26-M29 WeakPolarHBondContact O-CB 3.33Å; I26-M29 PolarHBondContact O-N 3.08Å; S27-M29 VanDerWaalsContact C-N 3.27Å; S27-M29 PolarHBondContact O-N 3.31Å; M29-E33 HydrophobicContact CG-CB 3.75Å; M29-E33 HydrophobicContact CG-CG 3.45Å; M29-E33 VanDerWaalsContact CG-CG 3.45Å; M29-E33 WeakPolarHBondContact CG-OE2 3.32Å; M29-E33 HydrophobicContact SD-CG 3.94Å; M29-R34 HydrophobicContact CB-CG 4.05Å; M29-R34 PolarHBondContact O-NH1 2.88Å; M29-R34 VanDerWaalsContact O-NH1 3.08Å; M29-R34 PolarHBondContact O-NH2 2.91Å; M29-V37 HydrophobicContact CE-CB 4.46Å; M29-V37 HydrophobicContact CE-CG2 3.81Å |
| 30 | S | 73.8 | Confident | 61.5 | Low | 59 Ų | 59 | 108.1 Ų | 108.1 | 41% | 0.413 | 58% | 0.584 | S | S | . | * | trans | -63.9 | 159.1 | -176.9 | 71.7 | 0 | 0 | 0 | 0 | 112 | Y32 E33 R34 | S30-Y32 VanDerWaalsContact C-N 3.31Å; S30-Y32 PolarHBondContact O-N 2.93Å; S30-E33 PolarHBondContact O-N 2.82Å; S30-E33 VanDerWaalsContact O-N 3.12Å; S30-E33 WeakPolarHBondContact OG-CB 3.34Å; S30-E33 PolarHBondContact OG-N 3.01Å; S30-E33 PolarHBondContact OG-OE2 3.2Å; S30-R34 PolarHBondContact O-N 2.87Å | ||
| 31 | L | 72.4 | Confident | 63.3 | Low | 135 Ų | 135 | 110.3 Ų | 110.3 | 71% | 0.707 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -59.7 | -44.4 | -178.5 | -154.5 | 166.7 | 0 | 0 | 0 | 110.9 | E33 R34 Q35 | L31-E33 VanDerWaalsContact C-N 3.34Å; L31-E33 PolarHBondContact O-N 3.1Å; L31-R34 PolarHBondContact O-N 3.06Å; L31-Q35 WeakPolarHBondContact O-CB 3.39Å; L31-Q35 PolarHBondContact O-N 3.16Å |
| 32 | Y | 72.3 | Confident | 64.5 | Low | 189 Ų | 189 | 107.5 Ų | 107.5 | 74% | 0.741 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -59.2 | -40.8 | 174.1 | -172 | -96.4 | 0 | 0 | 0 | 112.7 | S30 Q35 A36 | S30-Y32 VanDerWaalsContact C-N 3.31Å; S30-Y32 PolarHBondContact O-N 2.93Å; Y32-Q35 CarbonylContact O-C 3.52Å; Y32-Q35 WeakPolarHBondContact O-CB 3.43Å; Y32-Q35 PolarHBondContact O-N 2.97Å; Y32-A36 WeakPolarHBondContact O-CB 3.39Å; Y32-A36 PolarHBondContact O-N 2.61Å |
| 33 | E | 80.6 | Confident | 65.2 | Low | 96 Ų | 96 | 106 Ų | 106 | 45% | 0.449 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -77.3 | -33.3 | -177.7 | -167.9 | 176.6 | -172.3 | 0 | 0 | 112.6 | M29 S30 L31 Q35 A36 V37 | M29-E33 HydrophobicContact CG-CB 3.75Å; M29-E33 HydrophobicContact CG-CG 3.45Å; M29-E33 VanDerWaalsContact CG-CG 3.45Å; M29-E33 WeakPolarHBondContact CG-OE2 3.32Å; M29-E33 HydrophobicContact SD-CG 3.94Å; S30-E33 PolarHBondContact O-N 2.82Å; S30-E33 VanDerWaalsContact O-N 3.12Å; S30-E33 WeakPolarHBondContact OG-CB 3.34Å; S30-E33 PolarHBondContact OG-N 3.01Å; S30-E33 PolarHBondContact OG-OE2 3.2Å; L31-E33 VanDerWaalsContact C-N 3.34Å; L31-E33 PolarHBondContact O-N 3.1Å; E33-Q35 VanDerWaalsContact C-N 3.33Å; E33-A36 PolarHBondContact O-N 3.08Å; E33-V37 WeakPolarHBondContact O-CG2 3.15Å; E33-V37 PolarHBondContact O-N 3.36Å |
| 34 | R | 80.7 | Confident | 65.9 | Low | 102 Ų | 102 | 104.3 Ų | 104.3 | 39% | 0.385 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 164.8 | -77 | -166.6 | -83.3 | -106.9 | 0.1 | 111.1 | I26 S27 M29 S30 L31 V37 Q38 | I26-R34 HydrophobicContact CG2-CG 4.41Å; I26-R34 PolarHBondContact O-NH1 3.26Å; S27-R34 PolarHBondContact O-NH1 2.99Å; M29-R34 HydrophobicContact CB-CG 4.05Å; M29-R34 PolarHBondContact O-NH1 2.88Å; M29-R34 VanDerWaalsContact O-NH1 3.08Å; M29-R34 PolarHBondContact O-NH2 2.91Å; S30-R34 PolarHBondContact O-N 2.87Å; L31-R34 PolarHBondContact O-N 3.06Å; R34-V37 PolarHBondContact O-N 2.85Å; R34-Q38 VanDerWaalsContact O-CB 3.28Å; R34-Q38 WeakPolarHBondContact O-CB 3.2Å; R34-Q38 PolarHBondContact O-N 2.92Å |
| 35 | Q | 77.6 | Confident | 66.5 | Low | 122 Ų | 122 | 109.9 Ų | 109.9 | 57% | 0.57 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.6 | -37.5 | 177.1 | -164.9 | 168.8 | 10.1 | 0 | 0 | 112.1 | L31 Y32 E33 Q38 A39 | L31-Q35 WeakPolarHBondContact O-CB 3.39Å; L31-Q35 PolarHBondContact O-N 3.16Å; Y32-Q35 CarbonylContact O-C 3.52Å; Y32-Q35 WeakPolarHBondContact O-CB 3.43Å; Y32-Q35 PolarHBondContact O-N 2.97Å; E33-Q35 VanDerWaalsContact C-N 3.33Å; Q35-Q38 PolarHBondContact O-N 3.47Å; Q35-A39 WeakPolarHBondContact O-CB 3.28Å; Q35-A39 PolarHBondContact O-N 2.82Å |
| 36 | A | 74.2 | Confident | 66.7 | Low | 43 Ų | 43 | 108.4 Ų | 108.4 | 36% | 0.355 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.3 | -45.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y32 E33 Q38 A39 L40 | Y32-A36 WeakPolarHBondContact O-CB 3.39Å; Y32-A36 PolarHBondContact O-N 2.61Å; E33-A36 PolarHBondContact O-N 3.08Å; A36-Q38 VanDerWaalsContact C-N 3.34Å; A36-A39 PolarHBondContact O-N 3.24Å; A36-L40 WeakPolarHBondContact O-CB 3.36Å; A36-L40 WeakPolarHBondContact O-CG 3.29Å; A36-L40 PolarHBondContact O-N 3.02Å |
| 37 | V | 78.3 | Confident | 66.7 | Low | 63 Ų | 63 | 110.2 Ų | 110.2 | 38% | 0.382 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.3 | -39.6 | 174.3 | 170.1 | 0 | 0 | 0 | 0 | 111.2 | M29 E33 R34 L40 Q41 | M29-V37 HydrophobicContact CE-CB 4.46Å; M29-V37 HydrophobicContact CE-CG2 3.81Å; E33-V37 WeakPolarHBondContact O-CG2 3.15Å; E33-V37 PolarHBondContact O-N 3.36Å; R34-V37 PolarHBondContact O-N 2.85Å; V37-L40 PolarHBondContact O-N 3.35Å; V37-Q41 VanDerWaalsContact O-CB 3.29Å; V37-Q41 WeakPolarHBondContact O-CB 3.32Å; V37-Q41 PolarHBondContact O-N 3Å |
| 38 | Q | 76.4 | Confident | 66.9 | Low | 140 Ų | 140 | 109.6 Ų | 109.6 | 65% | 0.654 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.3 | -37.1 | 176.6 | -167 | 169.6 | 12.2 | 0 | 0 | 112.1 | R34 Q35 A36 Q41 A42 | R34-Q38 VanDerWaalsContact O-CB 3.28Å; R34-Q38 WeakPolarHBondContact O-CB 3.2Å; R34-Q38 PolarHBondContact O-N 2.92Å; Q35-Q38 PolarHBondContact O-N 3.47Å; A36-Q38 VanDerWaalsContact C-N 3.34Å; Q38-Q41 PolarHBondContact O-N 2.74Å; Q38-A42 WeakPolarHBondContact O-CB 3.49Å; Q38-A42 PolarHBondContact O-N 3.38Å |
| 39 | A | 70 | Confident | 67.1 | Low | 53 Ų | 53 | 103 Ų | 103 | 44% | 0.438 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.2 | -44.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q35 A36 Q41 A42 L43 | Q35-A39 WeakPolarHBondContact O-CB 3.28Å; Q35-A39 PolarHBondContact O-N 2.82Å; A36-A39 PolarHBondContact O-N 3.24Å; A39-Q41 VanDerWaalsContact C-N 3.32Å; A39-Q41 PolarHBondContact O-N 3.23Å; A39-A42 PolarHBondContact O-N 3.29Å; A39-L43 WeakPolarHBondContact O-CG 3.45Å; A39-L43 PolarHBondContact O-N 3.27Å |
| 40 | L | 74 | Confident | 67.3 | Low | 111 Ų | 111 | 105.3 Ų | 105.3 | 58% | 0.581 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62 | -39.2 | 174.3 | -73.6 | 166.3 | 0 | 0 | 0 | 111.9 | A36 V37 L43 Q44 | A36-L40 WeakPolarHBondContact O-CB 3.36Å; A36-L40 WeakPolarHBondContact O-CG 3.29Å; A36-L40 PolarHBondContact O-N 3.02Å; V37-L40 PolarHBondContact O-N 3.35Å; L40-L43 PolarHBondContact O-N 2.86Å; L40-Q44 PolarHBondContact O-N 2.71Å |
| 41 | Q | 72.3 | Confident | 67 | Low | 122 Ų | 122 | 108.4 Ų | 108.4 | 57% | 0.57 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -74.6 | -29.3 | 177.6 | -163.4 | 162.7 | 29.4 | 0 | 0 | 112.4 | V37 Q38 A39 R45 | V37-Q41 VanDerWaalsContact O-CB 3.29Å; V37-Q41 WeakPolarHBondContact O-CB 3.32Å; V37-Q41 PolarHBondContact O-N 3Å; Q38-Q41 PolarHBondContact O-N 2.74Å; A39-Q41 VanDerWaalsContact C-N 3.32Å; A39-Q41 PolarHBondContact O-N 3.23Å; Q41-R45 WeakPolarHBondContact O-CG 3.19Å; Q41-R45 PolarHBondContact O-N 3.29Å |
| 42 | A | 61.5 | Low | 66.7 | Low | 58 Ų | 58 | 109.9 Ų | 109.9 | 48% | 0.479 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67 | -42.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q38 A39 Q44 R45 | Q38-A42 WeakPolarHBondContact O-CB 3.49Å; Q38-A42 PolarHBondContact O-N 3.38Å; A39-A42 PolarHBondContact O-N 3.29Å; A42-Q44 VanDerWaalsContact C-N 3.34Å; A42-Q44 PolarHBondContact O-N 3.1Å; A42-R45 PolarHBondContact O-N 3.44Å; A42-R45 VanDerWaalsContact O-N 3.1Å |
| 43 | L | 53.5 | Low | 66.7 | Low | 111 Ų | 111 | 107.7 Ų | 107.7 | 58% | 0.581 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -60.3 | -41.3 | 173.5 | -75.1 | 163.4 | 0 | 0 | 0 | 111.8 | A39 L40 R45 Q46 | A39-L43 WeakPolarHBondContact O-CG 3.45Å; A39-L43 PolarHBondContact O-N 3.27Å; L40-L43 PolarHBondContact O-N 2.86Å; L43-R45 VanDerWaalsContact C-N 3.27Å; L43-R45 PolarHBondContact O-N 3.11Å; L43-Q46 PolarHBondContact O-N 3.26Å |
| 44 | Q | 58.6 | Low | 66.4 | Low | 167 Ų | 167 | 109.2 Ų | 109.2 | 78% | 0.78 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67.8 | -20.1 | 174.4 | -77.1 | -172 | -19.8 | 0 | 0 | 114.5 | L40 A42 Q46 | L40-Q44 PolarHBondContact O-N 2.71Å; A42-Q44 VanDerWaalsContact C-N 3.34Å; A42-Q44 PolarHBondContact O-N 3.1Å; Q44-Q46 VanDerWaalsContact C-N 3.3Å |
| 45 | R | 58.3 | Low | 66.2 | Low | 208 Ų | 208 | 109.8 Ų | 109.8 | 79% | 0.785 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -1.8 | 175.7 | -77.2 | -167.2 | 71.6 | 113.8 | 2.8 | 114.3 | Q41 A42 L43 P47 | Q41-R45 WeakPolarHBondContact O-CG 3.19Å; Q41-R45 PolarHBondContact O-N 3.29Å; A42-R45 PolarHBondContact O-N 3.44Å; A42-R45 VanDerWaalsContact O-N 3.1Å; L43-R45 VanDerWaalsContact C-N 3.27Å; L43-R45 PolarHBondContact O-N 3.11Å; R45-P47 WeakPolarHBondContact O-CD 3.3Å |
| 46 | Q | 52.5 | Low | 66.4 | Low | 118 Ų | 118 | 109.9 Ų | 109.9 | 55% | 0.551 | 56% | 0.562 | S | S | * | * | trans | -117.6 | 85.2 | 178.9 | -74.8 | -69 | -3.6 | 0 | 0 | 111.1 | L43 Q44 N48 A49 | L43-Q46 PolarHBondContact O-N 3.26Å; Q44-Q46 VanDerWaalsContact C-N 3.3Å; Q46-N48 PolarHBondContact O-N 2.76Å; Q46-A49 HydrophobicContact CB-CB 3.78Å; Q46-A49 WeakPolarHBondContact O-CB 3.41Å; Q46-A49 PolarHBondContact O-N 3.46Å | ||
| 47 | P | 55.8 | Low | 66.5 | Low | 119 Ų | 119 | 113.3 Ų | 113.3 | 77% | 0.773 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -18.5 | -179 | 24.8 | -34.2 | 0 | 0 | 0 | 113.7 | R45 | R45-P47 WeakPolarHBondContact O-CD 3.3Š|
| 48 | N | 55.1 | Low | 66.5 | Low | 89 Ų | 89 | 113.8 Ų | 113.8 | 48% | 0.476 | 57% | 0.572 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.4 | 3.1 | 173.2 | -85.3 | -26.2 | 0 | 0 | 0 | 114.7 | Q46 A50 Q51 Y52 | Q46-N48 PolarHBondContact O-N 2.76Å; N48-A50 PolarHBondContact O-N 3.05Å; N48-Q51 HydrophobicContact CB-CB 4.35Å; N48-Q51 WeakPolarHBondContact O-CA 3.36Å; N48-Q51 WeakPolarHBondContact O-CB 3.46Å; N48-Q51 PolarHBondContact O-N 2.88Å; N48-Y52 HydrophobicContact CB-CD2 4.15Å; N48-Y52 HydrophobicContact CB-CE2 4.07Å; N48-Y52 VanDerWaalsContact O-CD2 3.29Å; N48-Y52 WeakPolarHBondContact O-CD2 3.27Å; N48-Y52 PolarHBondContact O-N 3.08Å |
| 49 | A | 56.4 | Low | 66.6 | Low | 29 Ų | 29 | 112.3 Ų | 112.3 | 24% | 0.24 | 57% | 0.566 | C | S | . | * | H | α-helix | trans | -58.3 | -38 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q46 Y52 F53 | Q46-A49 HydrophobicContact CB-CB 3.78Å; Q46-A49 WeakPolarHBondContact O-CB 3.41Å; Q46-A49 PolarHBondContact O-N 3.46Å; A49-Y52 PolarHBondContact O-N 2.91Å; A49-F53 PolarHBondContact O-N 3.43Å |
| 50 | A | 59.3 | Low | 67 | Low | 77 Ų | 77 | 115.2 Ų | 115.2 | 64% | 0.636 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66.5 | -38.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | N48 F53 H54 | N48-A50 PolarHBondContact O-N 3.05Å; A50-F53 PolarHBondContact O-N 3.36Å; A50-H54 WeakPolarHBondContact O-CB 3.46Å; A50-H54 PolarHBondContact O-N 3.2Å |
| 51 | Q | 66.3 | Low | 66.8 | Low | 124 Ų | 124 | 116.1 Ų | 116.1 | 58% | 0.579 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61.7 | -49.1 | 173.2 | -84.5 | -80.1 | -5 | 0 | 0 | 111 | N48 F53 H54 Q55 | N48-Q51 HydrophobicContact CB-CB 4.35Å; N48-Q51 WeakPolarHBondContact O-CA 3.36Å; N48-Q51 WeakPolarHBondContact O-CB 3.46Å; N48-Q51 PolarHBondContact O-N 2.88Å; Q51-F53 PolarHBondContact O-N 2.97Å; Q51-H54 PolarHBondContact O-N 3.48Å; Q51-Q55 WeakPolarHBondContact O-CB 3.36Å; Q51-Q55 PolarHBondContact O-N 3.15Å |
| 52 | Y | 67.9 | Low | 66.8 | Low | 166 Ų | 166 | 115.2 Ų | 115.2 | 65% | 0.651 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.4 | -38.8 | 177.5 | -76.7 | -69.9 | 0 | 0 | 0 | 113 | N48 A49 Q55 F56 | N48-Y52 HydrophobicContact CB-CD2 4.15Å; N48-Y52 HydrophobicContact CB-CE2 4.07Å; N48-Y52 VanDerWaalsContact O-CD2 3.29Å; N48-Y52 WeakPolarHBondContact O-CD2 3.27Å; N48-Y52 PolarHBondContact O-N 3.08Å; A49-Y52 PolarHBondContact O-N 2.91Å; Y52-Q55 PolarHBondContact O-N 3.19Å; Y52-F56 WeakPolarHBondContact O-CB 3.37Å; Y52-F56 PolarHBondContact O-N 2.96Å |
| 53 | F | 70.7 | Confident | 67.4 | Low | 143 Ų | 143 | 117 Ų | 117 | 63% | 0.627 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64 | -41 | 172.8 | -107.8 | -81.7 | 0 | 0 | 0 | 112.4 | A49 A50 Q51 F56 M57 | A49-F53 PolarHBondContact O-N 3.43Å; A50-F53 PolarHBondContact O-N 3.36Å; Q51-F53 PolarHBondContact O-N 2.97Å; F53-F56 PolarHBondContact O-N 3.23Å; F53-M57 WeakPolarHBondContact O-CB 3.35Å; F53-M57 VanDerWaalsContact O-CG 3.23Å; F53-M57 WeakPolarHBondContact O-CG 3.46Å; F53-M57 PolarHBondContact O-N 2.85Å |
| 54 | H | 74.1 | Confident | 67.9 | Low | 128 Ų | 128 | 114.4 Ų | 114.4 | 59% | 0.593 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -67.3 | -40 | 177.1 | -150.4 | 86.8 | 0 | 0 | 0 | 111.7 | A50 Q51 M57 L58 | A50-H54 WeakPolarHBondContact O-CB 3.46Å; A50-H54 PolarHBondContact O-N 3.2Å; Q51-H54 PolarHBondContact O-N 3.48Å; H54-M57 PolarHBondContact O-N 3.17Å; H54-L58 WeakPolarHBondContact O-CB 3.44Å; H54-L58 WeakPolarHBondContact O-CG 3.48Å; H54-L58 PolarHBondContact O-N 2.92Å |
| 55 | Q | 77.2 | Confident | 68.2 | Low | 114 Ų | 114 | 109 Ų | 109 | 53% | 0.533 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 174.5 | -171.4 | 68.4 | 88.9 | 0 | 0 | 111.8 | Q51 Y52 L58 Q59 | Q51-Q55 WeakPolarHBondContact O-CB 3.36Å; Q51-Q55 PolarHBondContact O-N 3.15Å; Y52-Q55 PolarHBondContact O-N 3.19Å; Q55-L58 PolarHBondContact O-N 2.92Å; Q55-Q59 VanDerWaalsContact O-CB 3.3Å; Q55-Q59 WeakPolarHBondContact O-CB 3.46Å; Q55-Q59 PolarHBondContact O-N 3.37Å |
| 56 | F | 81.4 | Confident | 68.7 | Low | 124 Ų | 124 | 104.9 Ų | 104.9 | 54% | 0.544 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.3 | -44.5 | 175.9 | -178.3 | -95.8 | 0 | 0 | 0 | 112.1 | Y52 F53 L58 Q59 Q60 | Y52-F56 WeakPolarHBondContact O-CB 3.37Å; Y52-F56 PolarHBondContact O-N 2.96Å; F53-F56 PolarHBondContact O-N 3.23Å; F56-L58 PolarHBondContact O-N 3.45Å; F56-Q59 PolarHBondContact O-N 3.09Å; F56-Q60 WeakPolarHBondContact O-CB 3.48Å; F56-Q60 PolarHBondContact O-N 3.35Å |
| 57 | M | 75.9 | Confident | 69.3 | Low | 115 Ų | 115 | 104.8 Ų | 104.8 | 57% | 0.567 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -58.1 | -46.9 | 173.9 | -73.8 | -75.1 | -70.7 | 0 | 0 | 111.5 | F53 H54 Q59 Q60 Q61 | F53-M57 WeakPolarHBondContact O-CB 3.35Å; F53-M57 VanDerWaalsContact O-CG 3.23Å; F53-M57 WeakPolarHBondContact O-CG 3.46Å; F53-M57 PolarHBondContact O-N 2.85Å; H54-M57 PolarHBondContact O-N 3.17Å; M57-Q59 PolarHBondContact O-N 3.03Å; M57-Q60 PolarHBondContact O-N 2.94Å; M57-Q61 WeakPolarHBondContact O-CB 3.23Å; M57-Q61 PolarHBondContact O-N 3.13Å |
| 58 | L | 78.4 | Confident | 69.8 | Low | 73 Ų | 73 | 106 Ų | 106 | 38% | 0.382 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.8 | -40.3 | 175.3 | -76.1 | 167.8 | 0 | 0 | 0 | 112.3 | H54 Q55 F56 Q61 L62 | H54-L58 WeakPolarHBondContact O-CB 3.44Å; H54-L58 WeakPolarHBondContact O-CG 3.48Å; H54-L58 PolarHBondContact O-N 2.92Å; Q55-L58 PolarHBondContact O-N 2.92Å; F56-L58 PolarHBondContact O-N 3.45Å; L58-Q61 PolarHBondContact O-N 3.31Å; L58-L62 WeakPolarHBondContact O-CB 3.41Å; L58-L62 WeakPolarHBondContact O-CG 3.38Å; L58-L62 PolarHBondContact O-N 2.86Å |
| 59 | Q | 79.3 | Confident | 70.4 | Confident | 109 Ų | 109 | 104.8 Ų | 104.8 | 51% | 0.509 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.7 | -39.1 | 179.1 | -174.8 | 58.9 | 84.8 | 0 | 0 | 112.3 | Q55 F56 M57 N63 | Q55-Q59 VanDerWaalsContact O-CB 3.3Å; Q55-Q59 WeakPolarHBondContact O-CB 3.46Å; Q55-Q59 PolarHBondContact O-N 3.37Å; F56-Q59 PolarHBondContact O-N 3.09Å; M57-Q59 PolarHBondContact O-N 3.03Å; Q59-N63 WeakPolarHBondContact O-CB 3.45Å; Q59-N63 PolarHBondContact O-N 2.92Å |
| 60 | Q | 77.8 | Confident | 71 | Confident | 115 Ų | 115 | 108.5 Ų | 108.5 | 54% | 0.537 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.7 | -43.1 | 173.3 | -174.9 | 176.7 | 92.9 | 0 | 0 | 111.1 | F56 M57 N63 S64 | F56-Q60 WeakPolarHBondContact O-CB 3.48Å; F56-Q60 PolarHBondContact O-N 3.35Å; M57-Q60 PolarHBondContact O-N 2.94Å; Q60-N63 PolarHBondContact O-N 3.22Å; Q60-S64 PolarHBondContact O-N 3.47Å; Q60-S64 PolarHBondContact O-OG 3.46Å |
| 61 | Q | 70.1 | Confident | 71.3 | Confident | 130 Ų | 130 | 107 Ų | 107 | 61% | 0.607 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63 | -45.1 | 177.3 | -165.4 | 174 | 32.9 | 0 | 0 | 111.5 | M57 L58 N63 S64 A65 | M57-Q61 WeakPolarHBondContact O-CB 3.23Å; M57-Q61 PolarHBondContact O-N 3.13Å; L58-Q61 PolarHBondContact O-N 3.31Å; Q61-N63 PolarHBondContact O-N 3.31Å; Q61-S64 PolarHBondContact O-N 3.3Å; Q61-S64 PolarHBondContact O-OG 2.93Å; Q61-A65 WeakPolarHBondContact O-CB 3.43Å; Q61-A65 PolarHBondContact O-N 2.88Å |
| 62 | L | 73 | Confident | 71.1 | Confident | 102 Ų | 102 | 103.8 Ų | 103.8 | 53% | 0.534 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.3 | -44 | 174.2 | -79.8 | 167.7 | 0 | 0 | 0 | 112.4 | L58 A65 Q66 | L58-L62 WeakPolarHBondContact O-CB 3.41Å; L58-L62 WeakPolarHBondContact O-CG 3.38Å; L58-L62 PolarHBondContact O-N 2.86Å; L62-A65 PolarHBondContact O-N 3.16Å; L62-Q66 WeakPolarHBondContact O-CG 3.46Å; L62-Q66 PolarHBondContact O-N 3.47Å |
| 63 | N | 73.8 | Confident | 71.3 | Confident | 96 Ų | 96 | 100.1 Ų | 100.1 | 51% | 0.513 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61 | -48.6 | 176.7 | -170.7 | -48 | 0 | 0 | 0 | 111 | Q59 Q60 Q61 A65 Q66 L67 | Q59-N63 WeakPolarHBondContact O-CB 3.45Å; Q59-N63 PolarHBondContact O-N 2.92Å; Q60-N63 PolarHBondContact O-N 3.22Å; Q61-N63 PolarHBondContact O-N 3.31Å; N63-A65 VanDerWaalsContact C-N 3.26Å; N63-A65 PolarHBondContact O-N 3.44Å; N63-Q66 PolarHBondContact O-N 2.79Å; N63-Q66 VanDerWaalsContact O-N 3.15Å; N63-L67 PolarHBondContact O-N 2.95Å |
| 64 | S | 64.9 | Low | 70.9 | Confident | 57 Ų | 57 | 99.4 Ų | 99.4 | 40% | 0.399 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.5 | -32.9 | 177.2 | 75.1 | 0 | 0 | 0 | 0 | 113.6 | Q60 Q61 H68 | Q60-S64 PolarHBondContact O-N 3.47Å; Q60-S64 PolarHBondContact O-OG 3.46Å; Q61-S64 PolarHBondContact O-N 3.3Å; Q61-S64 PolarHBondContact O-OG 2.93Å; S64-H68 PolarHBondContact O-N 3.07Å; S64-H68 VanDerWaalsContact O-N 3.15Å; S64-H68 PolarHBondContact O-ND1 3.04Å |
| 65 | A | 64.9 | Low | 70.2 | Confident | 53 Ų | 53 | 100.2 Ų | 100.2 | 44% | 0.438 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -76 | -36.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q61 L62 N63 H68 S69 | Q61-A65 WeakPolarHBondContact O-CB 3.43Å; Q61-A65 PolarHBondContact O-N 2.88Å; L62-A65 PolarHBondContact O-N 3.16Å; N63-A65 VanDerWaalsContact C-N 3.26Å; N63-A65 PolarHBondContact O-N 3.44Å; A65-H68 PolarHBondContact O-N 3.26Å; A65-S69 PolarHBondContact O-N 3.44Å; A65-S69 PolarHBondContact O-OG 3.36Å |
| 66 | Q | 67.9 | Low | 69.2 | Low | 122 Ų | 122 | 97.7 Ų | 97.7 | 57% | 0.57 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.5 | -35.5 | 171.7 | -73.7 | -171 | -90.7 | 0 | 0 | 112.1 | L62 N63 S69 L70 | L62-Q66 WeakPolarHBondContact O-CG 3.46Å; L62-Q66 PolarHBondContact O-N 3.47Å; N63-Q66 PolarHBondContact O-N 2.79Å; N63-Q66 VanDerWaalsContact O-N 3.15Å; Q66-S69 WeakPolarHBondContact CA-OG 3.19Å; Q66-S69 PolarHBondContact O-N 3.04Å; Q66-S69 PolarHBondContact O-OG 3.34Å; Q66-L70 WeakPolarHBondContact O-CB 3.38Å; Q66-L70 WeakPolarHBondContact O-CG 3.5Å; Q66-L70 PolarHBondContact O-N 3.23Å |
| 67 | L | 65.9 | Low | 68.5 | Low | 115 Ų | 115 | 96 Ų | 96 | 60% | 0.602 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.5 | -42.8 | 174 | -145.9 | 77.6 | 0 | 0 | 0 | 111.2 | N63 A71 | N63-L67 PolarHBondContact O-N 2.95Å; L67-A71 WeakPolarHBondContact O-CB 3.42Å; L67-A71 PolarHBondContact O-N 3.29Å |
| 68 | H | 66.6 | Low | 67.6 | Low | 145 Ų | 145 | 95.4 Ų | 95.4 | 67% | 0.671 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.5 | -39.2 | 174.4 | -84.5 | 81.9 | 0 | 0 | 0 | 113.2 | S64 A65 A71 A72 | S64-H68 PolarHBondContact O-N 3.07Å; S64-H68 VanDerWaalsContact O-N 3.15Å; S64-H68 PolarHBondContact O-ND1 3.04Å; A65-H68 PolarHBondContact O-N 3.26Å; H68-A71 PolarHBondContact O-N 3.23Å; H68-A72 WeakPolarHBondContact O-CB 3.39Å; H68-A72 PolarHBondContact O-N 3.45Å |
| 69 | S | 67.4 | Low | 66.3 | Low | 64 Ų | 64 | 94.9 Ų | 94.9 | 45% | 0.448 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -72.2 | -35.3 | 178.2 | 67 | 0 | 0 | 0 | 0 | 112.4 | A65 Q66 A72 V73 | A65-S69 PolarHBondContact O-N 3.44Å; A65-S69 PolarHBondContact O-OG 3.36Å; Q66-S69 WeakPolarHBondContact CA-OG 3.19Å; Q66-S69 PolarHBondContact O-N 3.04Å; Q66-S69 PolarHBondContact O-OG 3.34Å; S69-A72 PolarHBondContact O-N 3.2Å; S69-V73 WeakPolarHBondContact O-CB 3.5Å; S69-V73 VanDerWaalsContact O-CG2 3.28Å; S69-V73 WeakPolarHBondContact O-CG2 3.42Å; S69-V73 PolarHBondContact O-N 3.04Å |
| 70 | L | 68.4 | Low | 65 | Low | 106 Ų | 106 | 92.9 Ų | 92.9 | 56% | 0.555 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.7 | -44.7 | 169.9 | -80.8 | 164.5 | 0 | 0 | 0 | 112 | Q66 A72 V73 Q74 | Q66-L70 WeakPolarHBondContact O-CB 3.38Å; Q66-L70 WeakPolarHBondContact O-CG 3.5Å; Q66-L70 PolarHBondContact O-N 3.23Å; L70-A72 PolarHBondContact O-N 3.11Å; L70-V73 PolarHBondContact O-N 2.78Å; L70-Q74 WeakPolarHBondContact O-CG 3.44Å; L70-Q74 PolarHBondContact O-N 3.01Å |
| 71 | A | 64.5 | Low | 63.6 | Low | 46 Ų | 46 | 91.2 Ų | 91.2 | 38% | 0.38 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L67 H68 Q74 Q75 | L67-A71 WeakPolarHBondContact O-CB 3.42Å; L67-A71 PolarHBondContact O-N 3.29Å; H68-A71 PolarHBondContact O-N 3.23Å; A71-Q74 PolarHBondContact O-N 3.34Å; A71-Q75 WeakPolarHBondContact O-CG 3.46Å; A71-Q75 PolarHBondContact O-N 2.76Å |
| 72 | A | 63.7 | Low | 62.5 | Low | 56 Ų | 56 | 94.7 Ų | 94.7 | 46% | 0.463 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.4 | -39.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | H68 S69 L70 Q75 A76 | H68-A72 WeakPolarHBondContact O-CB 3.39Å; H68-A72 PolarHBondContact O-N 3.45Å; S69-A72 PolarHBondContact O-N 3.2Å; L70-A72 PolarHBondContact O-N 3.11Å; A72-Q75 PolarHBondContact O-N 2.7Å; A72-A76 WeakPolarHBondContact O-CB 3.3Å; A72-A76 PolarHBondContact O-N 3.21Å |
| 73 | V | 71.1 | Confident | 61.3 | Low | 89 Ų | 89 | 98.3 Ų | 98.3 | 54% | 0.539 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66 | -42.1 | 175.1 | 168.7 | 0 | 0 | 0 | 0 | 111 | S69 L70 Q75 A76 T77 | S69-V73 WeakPolarHBondContact O-CB 3.5Å; S69-V73 VanDerWaalsContact O-CG2 3.28Å; S69-V73 WeakPolarHBondContact O-CG2 3.42Å; S69-V73 PolarHBondContact O-N 3.04Å; L70-V73 PolarHBondContact O-N 2.78Å; V73-Q75 PolarHBondContact O-N 3.39Å; V73-A76 PolarHBondContact O-N 3.01Å; V73-T77 PolarHBondContact O-N 3.1Å; V73-T77 PolarHBondContact O-OG1 3.01Å |
| 74 | Q | 62.4 | Low | 59.8 | Low | 128 Ų | 128 | 97.8 Ų | 97.8 | 60% | 0.598 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.5 | -43.6 | 174.1 | -75.2 | -175.7 | -5.9 | 0 | 0 | 112.1 | L70 A71 A76 T77 I78 | L70-Q74 WeakPolarHBondContact O-CG 3.44Å; L70-Q74 PolarHBondContact O-N 3.01Å; A71-Q74 PolarHBondContact O-N 3.34Å; Q74-A76 VanDerWaalsContact C-N 3.35Å; Q74-A76 PolarHBondContact O-N 2.92Å; Q74-T77 PolarHBondContact O-N 3.37Å; Q74-I78 WeakPolarHBondContact O-CB 3.41Å; Q74-I78 WeakPolarHBondContact O-CD1 3.29Å; Q74-I78 VanDerWaalsContact O-CG1 3.25Å; Q74-I78 WeakPolarHBondContact O-CG1 3.47Å; Q74-I78 PolarHBondContact O-N 3.47Å |
| 75 | Q | 59.3 | Low | 58.4 | Low | 146 Ų | 146 | 99.8 Ų | 99.8 | 68% | 0.682 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -61.5 | -41.2 | 174.1 | -73.7 | -175.2 | 2.2 | 0 | 0 | 112.2 | A71 A72 V73 I78 A79 | A71-Q75 WeakPolarHBondContact O-CG 3.46Å; A71-Q75 PolarHBondContact O-N 2.76Å; A72-Q75 PolarHBondContact O-N 2.7Å; V73-Q75 PolarHBondContact O-N 3.39Å; Q75-I78 PolarHBondContact O-N 3.45Å; Q75-A79 WeakPolarHBondContact O-CB 3.44Å; Q75-A79 PolarHBondContact O-N 2.69Å |
| 76 | A | 55.8 | Low | 56.9 | Low | 61 Ų | 61 | 102.5 Ų | 102.5 | 50% | 0.504 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.9 | -41.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A72 V73 Q74 A79 A80 | A72-A76 WeakPolarHBondContact O-CB 3.3Å; A72-A76 PolarHBondContact O-N 3.21Å; V73-A76 PolarHBondContact O-N 3.01Å; Q74-A76 VanDerWaalsContact C-N 3.35Å; Q74-A76 PolarHBondContact O-N 2.92Å; A76-A79 PolarHBondContact O-N 3.32Å; A76-A80 WeakPolarHBondContact O-CB 3.27Å; A76-A80 PolarHBondContact O-N 2.87Å |
| 77 | T | 68.1 | Low | 55.5 | Low | 88 Ų | 88 | 102.7 Ų | 102.7 | 54% | 0.54 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65.5 | -42.2 | 176 | -56.2 | 0 | 0 | 0 | 0 | 111.8 | V73 Q74 A79 A80 S81 | V73-T77 PolarHBondContact O-N 3.1Å; V73-T77 PolarHBondContact O-OG1 3.01Å; Q74-T77 PolarHBondContact O-N 3.37Å; T77-A79 VanDerWaalsContact C-N 3.34Å; T77-A80 PolarHBondContact O-N 3.3Å; T77-S81 WeakPolarHBondContact O-CB 3.44Å; T77-S81 PolarHBondContact O-N 3.23Å |
| 78 | I | 56.1 | Low | 53.8 | Low | 103 Ų | 103 | 103 Ų | 103 | 53% | 0.528 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -65.8 | -37.7 | 176.5 | -68 | 163.9 | 0 | 0 | 0 | 111 | Q74 Q75 R82 | Q74-I78 WeakPolarHBondContact O-CB 3.41Å; Q74-I78 WeakPolarHBondContact O-CD1 3.29Å; Q74-I78 VanDerWaalsContact O-CG1 3.25Å; Q74-I78 WeakPolarHBondContact O-CG1 3.47Å; Q74-I78 PolarHBondContact O-N 3.47Å; Q75-I78 PolarHBondContact O-N 3.45Å; I78-R82 WeakPolarHBondContact O-CG 3.49Å; I78-R82 PolarHBondContact O-N 2.91Å |
| 79 | A | 51.8 | Low | 51.9 | Low | 62 Ų | 62 | 102.9 Ų | 102.9 | 51% | 0.512 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -67 | -44.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q75 A76 T77 R82 | Q75-A79 WeakPolarHBondContact O-CB 3.44Å; Q75-A79 PolarHBondContact O-N 2.69Å; A76-A79 PolarHBondContact O-N 3.32Å; T77-A79 VanDerWaalsContact C-N 3.34Å; A79-R82 PolarHBondContact O-N 2.96Å |
| 80 | A | 51.5 | Low | 50.1 | Low | 67 Ų | 67 | 105.6 Ų | 105.6 | 55% | 0.554 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -63.4 | -43.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | A76 T77 R82 Q83 | A76-A80 WeakPolarHBondContact O-CB 3.27Å; A76-A80 PolarHBondContact O-N 2.87Å; T77-A80 PolarHBondContact O-N 3.3Å; A80-R82 PolarHBondContact O-N 2.97Å; A80-R82 VanDerWaalsContact O-N 3.14Å; A80-Q83 PolarHBondContact O-N 3.27Å |
| 81 | S | 48.4 | Very low | 48.4 | Very low | 80 Ų | 80 | 107 Ų | 107 | 56% | 0.559 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -61.5 | -22.9 | 178.1 | -169.6 | 0 | 0 | 0 | 0 | 113.2 | T77 Q83 | T77-S81 WeakPolarHBondContact O-CB 3.44Å; T77-S81 PolarHBondContact O-N 3.23Å; S81-Q83 VanDerWaalsContact C-N 3.34Å |
| 82 | R | 47.2 | Very low | 47.2 | Very low | 203 Ų | 203 | 110.7 Ų | 110.7 | 77% | 0.766 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -5.6 | 177.4 | -75.5 | 179.8 | 174.8 | -82.3 | 0.5 | 114.3 | I78 A79 A80 | I78-R82 WeakPolarHBondContact O-CG 3.49Å; I78-R82 PolarHBondContact O-N 2.91Å; A79-R82 PolarHBondContact O-N 2.96Å; A80-R82 PolarHBondContact O-N 2.97Å; A80-R82 VanDerWaalsContact O-N 3.14Å |
| 83 | Q | 47.7 | Very low | 45.5 | Very low | 178 Ų | 178 | 117 Ų | 117 | 83% | 0.832 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | -2.7 | 172.1 | -64.4 | -160.9 | -7.9 | 0 | 0 | 113.8 | A80 S81 S85 | A80-Q83 PolarHBondContact O-N 3.27Å; S81-Q83 VanDerWaalsContact C-N 3.34Å; Q83-S85 PolarHBondContact O-N 2.86Å |
| 84 | A | 41.8 | Very low | 43.4 | Very low | 84 Ų | 84 | 120.8 Ų | 120.8 | 69% | 0.694 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -95.7 | 33.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 85 | S | 36.9 | Very low | 41.7 | Very low | 100 Ų | 100 | 120.5 Ų | 120.5 | 70% | 0.699 | 72% | 0.718 | S | S | * | * | trans | -148.4 | 79.6 | -174.5 | -63.7 | 0 | 0 | 0 | 0 | 112.6 | Q83 | Q83-S85 PolarHBondContact O-N 2.86Š| ||
| 86 | S | 33.2 | Very low | 40.2 | Very low | 109 Ų | 109 | 119.2 Ų | 119.2 | 76% | 0.762 | 72% | 0.72 | S | S | * | * | trans | -100.7 | 131.4 | 167.8 | -60.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 87 | P | 37.3 | Very low | 39 | Very low | 127 Ų | 127 | 121.8 Ų | 121.8 | 83% | 0.825 | 73% | 0.73 | S | S | * | * | trans | -79.1 | 125.2 | 179.1 | 30.7 | -33 | 0 | 0 | 0 | 111.5 | ||||
| 88 | S | 29.7 | Very low | 37.1 | Very low | 120 Ų | 120 | 123 Ų | 123 | 84% | 0.839 | 74% | 0.737 | S | S | * | * | trans | -105.8 | 118 | 171.2 | -66.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 89 | T | 27.6 | Very low | 35.7 | Very low | 143 Ų | 143 | 127 Ų | 127 | 88% | 0.877 | 75% | 0.754 | S | S | * | * | trans | -102.6 | 119.8 | 178.4 | 52.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 90 | S | 29.8 | Very low | 34.5 | Very low | 121 Ų | 121 | 128.8 Ų | 128.8 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | trans | -142.8 | 156.5 | 164.4 | 53.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 91 | T | 31.6 | Very low | 33.5 | Very low | 135 Ų | 135 | 130.7 Ų | 130.7 | 83% | 0.828 | 78% | 0.777 | S | S | * | * | trans | -82 | 157 | -163.3 | 41.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 92 | P | 40 | Very low | 32.6 | Very low | 125 Ų | 125 | 134.5 Ų | 134.5 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | trans | -86.9 | 157.8 | -171.5 | 35.5 | -37.2 | 0 | 0 | 0 | 114.2 | ||||
| 93 | Q | 28.3 | Very low | 31.8 | Very low | 188 Ų | 188 | 132.2 Ų | 132.2 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | -144.5 | 164.7 | 156.9 | -146.9 | 166.8 | 4.3 | 0 | 0 | 110.7 | ||||
| 94 | Q | 27.2 | Very low | 30.7 | Very low | 169 Ų | 169 | 132 Ų | 132 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | trans | -78.7 | 158.2 | -162.6 | -58.4 | 146.8 | -69.1 | 0 | 0 | 114.1 | ||||
| 95 | T | 26.5 | Very low | 29.9 | Very low | 122 Ų | 122 | 132 Ų | 132 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | 160.9 | 101.5 | 114.3 | -63.8 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 96 | T | 27.5 | Very low | 29.8 | Very low | 119 Ų | 119 | 133.8 Ų | 133.8 | 73% | 0.73 | 80% | 0.804 | S | S | * | * | trans | 50.6 | 140.8 | 132.5 | -26.1 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 97 | T | 30.2 | Very low | 29.6 | Very low | 115 Ų | 115 | 135.3 Ų | 135.3 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | trans | 91.6 | 114.6 | 142.9 | 13.2 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 98 | T | 29.9 | Very low | 29.2 | Very low | 112 Ų | 112 | 134.5 Ų | 134.5 | 69% | 0.687 | 81% | 0.806 | S | S | * | * | trans | 62.9 | 116.2 | 134.5 | 43.1 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 99 | Q | 26.2 | Very low | 29.1 | Very low | 188 Ų | 188 | 133.6 Ų | 133.6 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | 64.5 | 165.7 | 120.8 | -77.5 | -169.9 | -14.8 | 0 | 0 | 122.9 | |||||
| 100 | A | 27 | Very low | 29.2 | Very low | 100 Ų | 100 | 131.8 Ų | 131.8 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | trans | 92.5 | 110.4 | 160.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 101 | S | 29.7 | Very low | 29.2 | Very low | 106 Ų | 106 | 134.6 Ų | 134.6 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | trans | -65.2 | 158.4 | 159.2 | 52.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 102 | I | 29.9 | Very low | 29.1 | Very low | 161 Ų | 161 | 135.1 Ų | 135.1 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | -170.2 | 149.9 | 130 | -99.2 | 150 | 0 | 0 | 0 | 110 | |||||
| 103 | N | 30.1 | Very low | 28.6 | Very low | 155 Ų | 155 | 136 Ų | 136 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | trans | -108.6 | 127.4 | 171.2 | -75.4 | -77.6 | 0 | 0 | 0 | 110.1 | ||||
| 104 | L | 24.8 | Very low | 28.4 | Very low | 173 Ų | 173 | 131.6 Ų | 131.6 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | trans | 173.4 | 150.4 | 158.4 | -118.4 | 44.6 | 0 | 0 | 0 | 108.4 | ||||
| 105 | A | 25.5 | Very low | 28.5 | Very low | 84 Ų | 84 | 134.5 Ų | 134.5 | 69% | 0.694 | 79% | 0.792 | S | S | * | * | cis | -164.5 | 171.1 | -26.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 106 | T | 33.4 | Very low | 28.4 | Very low | 138 Ų | 138 | 132.1 Ų | 132.1 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | trans | -64.7 | 133.8 | 174.5 | -52.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 107 | T | 29.7 | Very low | 28.4 | Very low | 141 Ų | 141 | 131.3 Ų | 131.3 | 87% | 0.865 | 77% | 0.768 | S | S | * | * | trans | -160 | 172.7 | 146.3 | 1.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 108 | S | 28.6 | Very low | 28.2 | Very low | 109 Ų | 109 | 127.6 Ų | 127.6 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | trans | -130.1 | 159 | -158.3 | 55.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 109 | A | 28.3 | Very low | 27.9 | Very low | 102 Ų | 102 | 126.5 Ų | 126.5 | 84% | 0.843 | 74% | 0.74 | S | S | * | * | trans | 87.6 | 172 | 154.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 110 | A | 28.8 | Very low | 28 | Very low | 104 Ų | 104 | 121.1 Ų | 121.1 | 86% | 0.86 | 72% | 0.723 | S | S | * | * | trans | 83.1 | 147.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 111 | Q | 31.2 | Very low | 28.4 | Very low | 181 Ų | 181 | 121.8 Ų | 121.8 | 85% | 0.846 | 72% | 0.721 | S | S | * | * | trans | -99.5 | 164.7 | -169.2 | -57 | 163.7 | -34.6 | 0 | 0 | 111.5 | ||||
| 112 | L | 29.1 | Very low | 29.2 | Very low | 146 Ų | 146 | 122.1 Ų | 122.1 | 76% | 0.764 | 72% | 0.721 | S | S | * | * | 168.7 | 151.7 | 110.7 | -89.5 | 175.5 | 0 | 0 | 0 | 115.7 | |||||
| 113 | I | 28.4 | Very low | 29.1 | Very low | 143 Ų | 143 | 119.7 Ų | 119.7 | 73% | 0.733 | 72% | 0.718 | S | S | * | * | trans | 81.5 | 107.4 | 147 | -71.7 | 161 | 0 | 0 | 0 | 121.9 | ||||
| 114 | S | 24.9 | Very low | 29.1 | Very low | 95 Ų | 95 | 116.9 Ų | 116.9 | 66% | 0.664 | 72% | 0.717 | S | S | * | * | trans | 84.8 | 110.4 | 134.9 | -77.5 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 115 | R | 28.5 | Very low | 29.4 | Very low | 231 Ų | 231 | 114.6 Ų | 114.6 | 87% | 0.872 | 71% | 0.71 | S | S | * | * | 75 | 137.9 | 120.1 | -69.8 | -177.3 | 80.6 | 146.2 | 3.4 | 119.7 | |||||
| 116 | S | 25.9 | Very low | 29.5 | Very low | 72 Ų | 72 | 116.1 Ų | 116.1 | 50% | 0.503 | 71% | 0.711 | S | S | . | * | cis | -158.4 | 168.8 | 8 | -33.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 117 | Q | 25.7 | Very low | 29.3 | Very low | 101 Ų | 101 | 116.5 Ų | 116.5 | 47% | 0.472 | 71% | 0.707 | S | S | . | * | trans | 67.3 | 139.3 | 144 | -75.9 | 175.7 | 69.1 | 0 | 0 | 121.7 | T527 R528 | Q117-T527 WeakPolarHBondContact O-CA 3.44Å; Q117-T527 WeakPolarHBondContact O-CB 3.26Å; Q117-T527 VanDerWaalsContact O-CG2 3.27Å; Q117-T527 WeakPolarHBondContact O-CG2 3.15Å; Q117-R528 HydrophobicContact CB-CG 4.3Å | ||
| 118 | S | 26.2 | Very low | 29.4 | Very low | 38 Ų | 38 | 114.4 Ų | 114.4 | 27% | 0.266 | 69% | 0.694 | S | S | . | * | cis | 176.5 | 142.8 | -31.8 | 40 | 0 | 0 | 0 | 0 | 107.9 | G526 T527 R528 | S118-G526 CarbonylContact C-O 3.59Å; S118-G526 VanDerWaalsContact CA-O 3.27Å; S118-G526 WeakPolarHBondContact CA-O 3.47Å; S118-T527 VanDerWaalsContact N-CA 3.34Å; S118-R528 WeakPolarHBondContact O-CA 3.43Å; S118-R528 PolarHBondContact O-N 3.31Å | ||
| 119 | V | 25 | Very low | 29.5 | Very low | 89 Ų | 89 | 112.9 Ų | 112.9 | 54% | 0.539 | 68% | 0.675 | S | S | . | * | cis | -134.5 | -112.3 | -12.7 | -162.9 | 0 | 0 | 0 | 0 | 110.6 | G526 | V119-G526 VanDerWaalsContact CA-O 3.25Å; V119-G526 WeakPolarHBondContact CA-O 3.3Å; V119-G526 CarbonylContact O-C 3.4Å; V119-G526 WeakPolarHBondContact O-CA 3.21Å; V119-G526 PolarHBondContact O-N 2.93Å | ||
| 120 | S | 27.4 | Very low | 29.7 | Very low | 74 Ų | 74 | 111.3 Ų | 111.3 | 52% | 0.517 | 66% | 0.658 | S | S | . | * | trans | -152 | 172.5 | -162.7 | -55.7 | 0 | 0 | 0 | 0 | 115.2 | G526 | S120-G526 PolarHBondContact OG-N 3.2Š| ||
| 121 | S | 35.2 | Very low | 29.8 | Very low | 114 Ų | 114 | 110.5 Ų | 110.5 | 80% | 0.797 | 64% | 0.642 | S | S | * | * | trans | -73.7 | -178 | 164.5 | -38.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 122 | P | 45.8 | Very low | 30 | Very low | 114 Ų | 114 | 108.8 Ų | 108.8 | 74% | 0.74 | 64% | 0.638 | S | S | * | * | cis | -152 | -163.8 | 22.8 | 44.6 | -20.9 | 0 | 0 | 0 | 119 | ||||
| 123 | S | 28 | Very low | 30.2 | Very low | 109 Ų | 109 | 110 Ų | 110 | 76% | 0.762 | 64% | 0.644 | S | S | * | * | trans | 77.3 | 100.7 | 145.5 | -62.7 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 124 | A | 31.5 | Very low | 30.2 | Very low | 96 Ų | 96 | 106.7 Ų | 106.7 | 79% | 0.793 | 65% | 0.645 | S | S | * | * | 44 | 140.2 | 123.4 | 0 | 0 | 0 | 0 | 0 | 125.6 | |||||
| 125 | T | 29.9 | Very low | 30.4 | Very low | 126 Ų | 126 | 109.7 Ų | 109.7 | 77% | 0.773 | 65% | 0.654 | S | S | * | * | trans | 126.9 | 98.1 | 136.8 | -47.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 126 | T | 28.1 | Very low | 30.5 | Very low | 115 Ų | 115 | 104.8 Ų | 104.8 | 71% | 0.706 | 65% | 0.65 | S | S | * | * | trans | 57.2 | 120 | 131.9 | -48.4 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 127 | L | 29.4 | Very low | 30.8 | Very low | 146 Ų | 146 | 107.9 Ų | 107.9 | 76% | 0.764 | 67% | 0.666 | S | S | * | * | trans | 69.5 | 128.7 | 149.7 | -79 | 168.2 | 0 | 0 | 0 | 123.8 | ||||
| 128 | T | 32 | Very low | 31 | Very low | 97 Ų | 97 | 108 Ų | 108 | 60% | 0.595 | 68% | 0.678 | S | S | * | * | trans | 65.2 | 91.6 | 144 | 45.4 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 129 | Q | 30.2 | Very low | 31.7 | Very low | 78 Ų | 78 | 111.5 Ų | 111.5 | 36% | 0.364 | 70% | 0.7 | S | S | . | * | 78.2 | 112 | 104.5 | -78.3 | -164.5 | 25 | 0 | 0 | 126.4 | R151 P152 | Q129-R151 HydrophobicContact CB-CB 4.41Å; Q129-R151 HydrophobicContact CB-CG 3.41Å; Q129-R151 VanDerWaalsContact CB-CG 3.41Å; Q129-R151 HydrophobicContact CG-CB 4.38Å; Q129-R151 HydrophobicContact CG-CG 3.42Å; Q129-R151 VanDerWaalsContact CG-CG 3.42Å; Q129-R151 PolarHBondContact O-NH1 3.18Å; Q129-P152 HydrophobicContact CG-CB 3.99Å | |||
| 130 | S | 31.8 | Very low | 32.4 | Very low | 68 Ų | 68 | 112.8 Ų | 112.8 | 48% | 0.476 | 71% | 0.71 | S | S | . | * | trans | -160.3 | 148.5 | 142.6 | -151.5 | 0 | 0 | 0 | 0 | 116.7 | L150 R151 | S130-L150 CarbonylContact O-C 3.5Å; S130-L150 WeakPolarHBondContact O-CA 3.37Å; S130-L150 PolarHBondContact O-N 3.03Å; S130-R151 WeakPolarHBondContact O-CB 3.31Å | ||
| 131 | V | 31 | Very low | 32.3 | Very low | 87 Ų | 87 | 117.3 Ų | 117.3 | 53% | 0.527 | 73% | 0.727 | S | S | . | * | trans | -106.6 | 143.5 | -159.3 | 151 | 0 | 0 | 0 | 0 | 117.2 | R151 | V131-R151 HydrophobicContact CB-CB 4.37Å; V131-R151 HydrophobicContact CG2-CB 3.52Å; V131-R151 HydrophobicContact CG2-CG 3.96Å | ||
| 132 | L | 36.8 | Very low | 32.2 | Very low | 146 Ų | 146 | 119.6 Ų | 119.6 | 76% | 0.764 | 73% | 0.731 | S | S | * | * | trans | 51.2 | 141.3 | 155.4 | -98.9 | 66.5 | 0 | 0 | 0 | 126.1 | ||||
| 133 | L | 32.8 | Very low | 31.4 | Very low | 171 Ų | 171 | 123.1 Ų | 123.1 | 90% | 0.895 | 74% | 0.737 | S | S | * | * | trans | 69.4 | 137.2 | 143.8 | -71.1 | 175.3 | 0 | 0 | 0 | 124.2 | ||||
| 134 | G | 29.3 | Very low | 31.5 | Very low | 73 Ų | 73 | 122.7 Ų | 122.7 | 75% | 0.753 | 73% | 0.734 | S | S | * | * | trans | 142.8 | 113 | 147.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 135 | N | 27.4 | Very low | 31.4 | Very low | 158 Ų | 158 | 127 Ų | 127 | 85% | 0.845 | 74% | 0.737 | S | S | * | * | trans | -110.3 | 148.7 | 174 | -72.4 | 4.1 | 0 | 0 | 0 | 112 | ||||
| 136 | T | 31.4 | Very low | 31.5 | Very low | 129 Ų | 129 | 124.6 Ų | 124.6 | 79% | 0.791 | 73% | 0.731 | S | S | * | * | 169.2 | 139 | 122.5 | 38.2 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 137 | T | 31.7 | Very low | 31.8 | Very low | 136 Ų | 136 | 126.8 Ų | 126.8 | 83% | 0.834 | 73% | 0.733 | S | S | * | * | trans | 62.2 | 163.9 | 168.1 | 42.3 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 138 | S | 30 | Very low | 32 | Very low | 104 Ų | 104 | 125.5 Ų | 125.5 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | cis | -152.1 | 166.7 | -6.4 | -119.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 139 | P | 41.7 | Very low | 31.9 | Very low | 112 Ų | 112 | 129.7 Ų | 129.7 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | trans | -96.2 | 174.8 | 175.6 | 40.3 | -35.5 | 0 | 0 | 0 | 113.1 | ||||
| 140 | P | 39.3 | Very low | 31.9 | Very low | 115 Ų | 115 | 130.5 Ų | 130.5 | 75% | 0.747 | 74% | 0.737 | S | S | * | * | cis | -130.8 | 147.5 | 5.8 | 38.7 | -22.7 | 0 | 0 | 0 | 116.8 | ||||
| 141 | L | 25.8 | Very low | 31.6 | Very low | 170 Ų | 170 | 133.1 Ų | 133.1 | 89% | 0.89 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 177.6 | 142.5 | 135.4 | -98.8 | 160.9 | 0 | 0 | 0 | 110.3 | ||
| 142 | N | 31.8 | Very low | 32.4 | Very low | 162 Ų | 162 | 132 Ų | 132 | 87% | 0.866 | 73% | 0.731 | S | S | * | * | S | Bend | trans | 10.8 | 112 | 175.9 | -111.8 | -42 | 0 | 0 | 0 | 119.8 | ||
| 143 | Q | 29.9 | Very low | 31.9 | Very low | 188 Ų | 188 | 133.5 Ų | 133.5 | 88% | 0.879 | 73% | 0.734 | S | S | * | * | trans | -75.7 | 156.7 | 179.9 | -66.9 | 173.8 | -3 | 0 | 0 | 113.1 | ||||
| 144 | S | 30.6 | Very low | 31.7 | Very low | 99 Ų | 99 | 133.7 Ų | 133.7 | 69% | 0.692 | 74% | 0.735 | S | S | * | * | cis | -157.7 | 129.4 | -1.6 | 44.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 145 | Q | 29.2 | Very low | 31.6 | Very low | 186 Ų | 186 | 133.2 Ų | 133.2 | 87% | 0.869 | 73% | 0.731 | S | S | * | * | 60.3 | 139 | 90.6 | -63.1 | -172.2 | 5.1 | 0 | 0 | 116.7 | |||||
| 146 | A | 31.8 | Very low | 31.6 | Very low | 77 Ų | 77 | 133 Ų | 133 | 64% | 0.636 | 73% | 0.729 | S | S | * | * | cis | 102.7 | 143.6 | 15.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 147 | Q | 34.3 | Very low | 31.5 | Very low | 161 Ų | 161 | 134.1 Ų | 134.1 | 75% | 0.752 | 73% | 0.73 | S | S | * | * | cis | -161.7 | 171 | -8.2 | -116.2 | -179.2 | 123.4 | 0 | 0 | 113.8 | ||||
| 148 | M | 32.4 | Very low | 31.4 | Very low | 119 Ų | 119 | 134.2 Ų | 134.2 | 59% | 0.586 | 73% | 0.725 | S | S | * | * | trans | 9.3 | 139 | 157.2 | -82 | -172.9 | -85.5 | 0 | 0 | 124.5 | ||||
| 149 | Y | 30.6 | Very low | 31.2 | Very low | 184 Ų | 184 | 137.2 Ų | 137.2 | 72% | 0.722 | 73% | 0.727 | S | S | * | * | trans | 83.1 | 156.6 | 140.5 | -66.4 | 174.4 | 0 | 0 | 0 | 122.3 | ||||
| 150 | L | 30.5 | Very low | 30.4 | Very low | 96 Ų | 96 | 138 Ų | 138 | 50% | 0.503 | 73% | 0.729 | S | S | . | * | cis | -172.2 | -165.6 | -36.2 | -114.6 | 172.6 | 0 | 0 | 0 | 112.7 | S130 | S130-L150 CarbonylContact O-C 3.5Å; S130-L150 WeakPolarHBondContact O-CA 3.37Å; S130-L150 PolarHBondContact O-N 3.03Å | ||
| 151 | R | 25.9 | Very low | 29.7 | Very low | 123 Ų | 123 | 139 Ų | 139 | 46% | 0.464 | 73% | 0.728 | S | S | . | * | trans | 70.1 | 169 | 167.8 | -121.5 | -166.6 | -164.5 | 108.4 | 16.9 | 117.3 | Q129 S130 V131 | Q129-R151 HydrophobicContact CB-CB 4.41Å; Q129-R151 HydrophobicContact CB-CG 3.41Å; Q129-R151 VanDerWaalsContact CB-CG 3.41Å; Q129-R151 HydrophobicContact CG-CB 4.38Å; Q129-R151 HydrophobicContact CG-CG 3.42Å; Q129-R151 VanDerWaalsContact CG-CG 3.42Å; Q129-R151 PolarHBondContact O-NH1 3.18Å; S130-R151 WeakPolarHBondContact O-CB 3.31Å; V131-R151 HydrophobicContact CB-CB 4.37Å; V131-R151 HydrophobicContact CG2-CB 3.52Å; V131-R151 HydrophobicContact CG2-CG 3.96Å | ||
| 152 | P | 48.3 | Very low | 30 | Very low | 64 Ų | 64 | 140.4 Ų | 140.4 | 42% | 0.416 | 72% | 0.722 | S | S | . | * | -137.5 | -149.8 | -90.1 | 48.1 | -30.7 | 0 | 0 | 0 | 114.4 | Q129 | Q129-P152 HydrophobicContact CG-CB 3.99Š| |||
| 153 | Q | 25.7 | Very low | 30 | Very low | 177 Ų | 177 | 137.9 Ų | 137.9 | 83% | 0.827 | 71% | 0.712 | S | S | * | * | trans | 106.8 | 160.7 | 146.7 | -130.1 | 163 | -9.8 | 0 | 0 | 117.1 | ||||
| 154 | L | 28.3 | Very low | 30.2 | Very low | 174 Ų | 174 | 137.3 Ų | 137.3 | 91% | 0.911 | 71% | 0.714 | S | S | * | * | trans | -108.7 | 158.5 | -169.2 | -53.3 | 87.2 | 0 | 0 | 0 | 110.9 | ||||
| 155 | G | 27.4 | Very low | 30.1 | Very low | 64 Ų | 64 | 135.7 Ų | 135.7 | 66% | 0.66 | 71% | 0.713 | S | S | * | * | trans | 136.1 | 123.1 | 143.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 156 | N | 26.4 | Very low | 30.4 | Very low | 153 Ų | 153 | 138 Ų | 138 | 82% | 0.818 | 71% | 0.714 | S | S | * | * | trans | 35.5 | 130.1 | 139.4 | -51.7 | -29.9 | 0 | 0 | 0 | 118.8 | ||||
| 157 | L | 29.4 | Very low | 30.2 | Very low | 153 Ų | 153 | 140.4 Ų | 140.4 | 80% | 0.801 | 72% | 0.716 | S | S | * | * | -168.6 | 152.6 | 81 | -89.1 | 162.8 | 0 | 0 | 0 | 113.1 | |||||
| 158 | L | 29.6 | Very low | 30 | Very low | 138 Ų | 138 | 139 Ų | 139 | 72% | 0.723 | 72% | 0.718 | S | S | * | * | trans | 22 | 119.4 | 146.5 | -55.8 | 178.1 | 0 | 0 | 0 | 119.1 | ||||
| 159 | Q | 26.1 | Very low | 31 | Very low | 167 Ų | 167 | 138.5 Ų | 138.5 | 78% | 0.78 | 72% | 0.724 | S | S | * | * | 68.9 | 100.8 | 72.7 | -172.2 | -174.1 | 21.9 | 0 | 0 | 114.9 | |||||
| 160 | V | 26 | Very low | 31 | Very low | 128 Ų | 128 | 137.8 Ų | 137.8 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | -167.9 | 132.4 | 115.1 | -91.5 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 161 | N | 24.3 | Very low | 31 | Very low | 135 Ų | 135 | 137.1 Ų | 137.1 | 72% | 0.722 | 74% | 0.74 | S | S | * | * | 65.9 | 138 | 86.7 | -116.1 | -4.8 | 0 | 0 | 0 | 113.8 | |||||
| 162 | R | 31.6 | Very low | 31.1 | Very low | 201 Ų | 201 | 136.6 Ų | 136.6 | 76% | 0.758 | 76% | 0.755 | S | S | * | * | cis | -170.1 | 142.2 | 8.1 | -160.1 | 174.3 | 171.2 | -180 | -1.6 | 114.3 | ||||
| 163 | T | 31.9 | Very low | 30.2 | Very low | 108 Ų | 108 | 141.9 Ų | 141.9 | 66% | 0.663 | 77% | 0.774 | S | S | * | * | trans | 38.8 | 138.4 | 152.1 | 58.7 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 164 | L | 33 | Very low | 30.5 | Very low | 176 Ų | 176 | 140.9 Ų | 140.9 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | 168.4 | 146.8 | 109.8 | -87.8 | 165 | 0 | 0 | 0 | 110.5 | |||||
| 165 | G | 29.2 | Very low | 30.5 | Very low | 65 Ų | 65 | 140.1 Ų | 140.1 | 67% | 0.67 | 77% | 0.769 | S | S | * | * | cis | 164.1 | 138.9 | -19 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 166 | R | 35.5 | Very low | 30.6 | Very low | 235 Ų | 235 | 144.8 Ų | 144.8 | 89% | 0.887 | 78% | 0.778 | S | S | * | * | trans | 72 | 153.2 | 166 | -65.7 | -174.5 | 156.8 | 162.8 | -6 | 118.4 | ||||
| 167 | N | 28 | Very low | 30.8 | Very low | 127 Ų | 127 | 145.6 Ų | 145.6 | 68% | 0.679 | 78% | 0.779 | S | S | * | * | cis | -160.9 | 115.7 | -7.3 | -101.1 | -8.6 | 0 | 0 | 0 | 113 | ||||
| 168 | V | 30.6 | Very low | 31.8 | Very low | 132 Ų | 132 | 144 Ų | 144 | 80% | 0.8 | 78% | 0.778 | S | S | * | * | 35 | 143.5 | 112.4 | 179.3 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 169 | P | 52.1 | Low | 31.8 | Very low | 109 Ų | 109 | 145.4 Ų | 145.4 | 71% | 0.708 | 79% | 0.786 | S | S | * | * | cis | -142.2 | -168.9 | -14.2 | 40 | -18.9 | 0 | 0 | 0 | 118.2 | ||||
| 170 | L | 31.2 | Very low | 32.2 | Very low | 168 Ų | 168 | 140.9 Ų | 140.9 | 88% | 0.88 | 78% | 0.784 | S | S | * | * | trans | 89.8 | 135.9 | 164.8 | -65 | 172.7 | 0 | 0 | 0 | 117.5 | ||||
| 171 | A | 29.6 | Very low | 32.5 | Very low | 83 Ų | 83 | 139.1 Ų | 139.1 | 69% | 0.686 | 78% | 0.783 | S | S | * | * | cis | -148.5 | 157.6 | -3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 172 | S | 28.8 | Very low | 32.6 | Very low | 111 Ų | 111 | 139.5 Ų | 139.5 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | 30.3 | 115 | 155.9 | -55.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 173 | Q | 29.6 | Very low | 32.4 | Very low | 175 Ų | 175 | 134.1 Ų | 134.1 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | -169.3 | 156.2 | 107 | -108.3 | 176 | 85.1 | 0 | 0 | 115.4 | |||||
| 174 | L | 31.5 | Very low | 32.2 | Very low | 157 Ų | 157 | 132.5 Ų | 132.5 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | 55.5 | 102.6 | 157.7 | -63.6 | 168.9 | 0 | 0 | 0 | 120.1 | ||||
| 175 | I | 29.2 | Very low | 31.8 | Very low | 157 Ų | 157 | 130 Ų | 130 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | trans | -111.8 | 133.5 | 147.7 | -58 | 169 | 0 | 0 | 0 | 106.4 | ||||
| 176 | L | 29.9 | Very low | 31.5 | Very low | 162 Ų | 162 | 129 Ų | 129 | 85% | 0.848 | 76% | 0.756 | S | S | * | * | trans | -168.3 | 126.2 | 135.5 | -129.1 | 69.6 | 0 | 0 | 0 | 112.7 | ||||
| 177 | M | 29.6 | Very low | 31.2 | Very low | 171 Ų | 171 | 121.8 Ų | 121.8 | 84% | 0.842 | 73% | 0.732 | S | S | * | * | trans | -102.9 | 137.5 | 148.9 | -76.8 | -160.1 | 73 | 0 | 0 | 108.6 | ||||
| 178 | P | 49.8 | Very low | 31.1 | Very low | 118 Ų | 118 | 122.7 Ų | 122.7 | 77% | 0.766 | 73% | 0.732 | S | S | * | * | trans | -81.1 | 166.8 | 163.5 | 35 | -33.4 | 0 | 0 | 0 | 111.1 | ||||
| 179 | N | 31.2 | Very low | 31.2 | Very low | 169 Ų | 169 | 122.5 Ų | 122.5 | 90% | 0.904 | 73% | 0.731 | S | S | * | * | trans | -144.8 | 126.2 | -173.2 | -178.6 | 97.6 | 0 | 0 | 0 | 112.5 | ||||
| 180 | G | 34 | Very low | 31 | Very low | 71 Ų | 71 | 122.6 Ų | 122.6 | 73% | 0.732 | 73% | 0.732 | S | S | * | * | trans | 104 | 160.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 181 | A | 32.7 | Very low | 31.6 | Very low | 92 Ų | 92 | 119.8 Ų | 119.8 | 76% | 0.76 | 72% | 0.723 | S | S | * | * | cis | -162.8 | 143.8 | -1.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 182 | V | 26.8 | Very low | 31.4 | Very low | 142 Ų | 142 | 121.3 Ų | 121.3 | 86% | 0.861 | 72% | 0.724 | S | S | * | * | trans | 61.1 | 139.4 | 139.3 | 177.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 183 | A | 26.9 | Very low | 31.4 | Very low | 88 Ų | 88 | 123.6 Ų | 123.6 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | trans | 71.6 | 122.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 184 | A | 26.3 | Very low | 31.2 | Very low | 75 Ų | 75 | 119.8 Ų | 119.8 | 62% | 0.62 | 72% | 0.716 | S | S | * | * | 67.6 | 128.8 | 58.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 185 | V | 24.6 | Very low | 31.9 | Very low | 122 Ų | 122 | 118.3 Ų | 118.3 | 74% | 0.739 | 72% | 0.715 | S | S | * | * | cis | -140.1 | 148.2 | 33.2 | 169.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 186 | Q | 24.2 | Very low | 31.7 | Very low | 46 Ų | 46 | 114.2 Ų | 114.2 | 22% | 0.215 | 71% | 0.712 | C | S | . | * | trans | -134 | 130.5 | 149.6 | -124.6 | 83.4 | 40.5 | 0 | 0 | 106.4 | H402 Q405 Q406 H409 | Q186-H402 PolarHBondContact N-NE2 2.93Å; Q186-H402 VanDerWaalsContact N-NE2 3.11Å; Q186-Q405 HydrophobicContact CB-CB 4.22Å; Q186-Q406 HydrophobicContact CG-CB 4.34Å; Q186-Q406 VanDerWaalsContact OE1-CB 3.28Å; Q186-H409 HydrophobicContact CG-CB 3.9Å; Q186-H409 PolarHBondContact NE2-CD2 2.91Å | ||
| 187 | Q | 29.6 | Very low | 31.6 | Very low | 82 Ų | 82 | 112.3 Ų | 112.3 | 38% | 0.383 | 71% | 0.707 | S | S | . | * | 75.8 | 142 | 103.5 | -175.1 | -177.7 | 17.2 | 0 | 0 | 114.7 | Q405 | Q187-Q405 HydrophobicContact CB-CB 4.42Å; Q187-Q405 PolarHBondContact O-OE1 3Å; Q187-Q405 PolarHBondContact OE1-O 3Å | |||
| 188 | E | 25 | Very low | 31.5 | Very low | 147 Ų | 147 | 112.8 Ų | 112.8 | 69% | 0.687 | 71% | 0.707 | S | S | * | * | trans | -166.8 | -167.2 | 140 | -146.6 | 162.8 | 91.9 | 0 | 0 | 110 | Q405 | E188-Q405 PolarHBondContact OE2-NE2 3.39Š| ||
| 189 | V | 32.1 | Very low | 30.4 | Very low | 127 Ų | 127 | 112.1 Ų | 112.1 | 77% | 0.77 | 71% | 0.711 | S | S | * | * | trans | 73 | 138.3 | -173.9 | -170.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 190 | P | 48.1 | Very low | 30.2 | Very low | 111 Ų | 111 | 111.2 Ų | 111.2 | 72% | 0.721 | 71% | 0.706 | S | S | * | * | cis | -118.9 | -155.4 | 20.6 | 47.1 | -33.3 | 0 | 0 | 0 | 112.3 | ||||
| 191 | P | 43.7 | Very low | 29.9 | Very low | 109 Ų | 109 | 113.5 Ų | 113.5 | 71% | 0.708 | 71% | 0.706 | S | S | * | * | cis | -127.5 | -145.1 | -0.8 | 31.5 | -4.5 | 0 | 0 | 0 | 112.5 | ||||
| 192 | T | 26.3 | Very low | 29.7 | Very low | 115 Ų | 115 | 115 Ų | 115 | 71% | 0.706 | 70% | 0.702 | S | S | * | * | cis | -170.6 | 159.7 | 8.7 | 2.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 193 | Q | 27.5 | Very low | 29.7 | Very low | 159 Ų | 159 | 115.2 Ų | 115.2 | 74% | 0.743 | 69% | 0.693 | S | S | * | * | cis | -171.9 | 142.5 | -29.6 | -132.4 | -156.7 | 114.4 | 0 | 0 | 111.2 | ||||
| 194 | S | 27.3 | Very low | 29.9 | Very low | 96 Ų | 96 | 116 Ų | 116 | 67% | 0.671 | 69% | 0.689 | S | S | * | * | trans | 65.4 | 175.3 | 143.9 | 81.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 195 | P | 45.3 | Very low | 30.2 | Very low | 125 Ų | 125 | 119.2 Ų | 119.2 | 81% | 0.812 | 69% | 0.691 | S | S | * | * | cis | -128.7 | 170.9 | -15.8 | 26.3 | -4.5 | 0 | 0 | 0 | 115.5 | ||||
| 196 | G | 24.4 | Very low | 30.5 | Very low | 72 Ų | 72 | 119.5 Ų | 119.5 | 74% | 0.742 | 69% | 0.688 | S | S | * | * | trans | 170.7 | 136.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 197 | V | 27.8 | Very low | 30.9 | Very low | 121 Ų | 121 | 124.7 Ų | 124.7 | 73% | 0.733 | 72% | 0.717 | S | S | * | * | trans | -151.4 | 166.2 | -170.2 | -74.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 198 | H | 28.1 | Very low | 31.2 | Very low | 182 Ų | 182 | 124.9 Ų | 124.9 | 84% | 0.843 | 73% | 0.732 | S | S | * | * | cis | -114.3 | -130.9 | 7.6 | -55 | -107.6 | 0 | 0 | 0 | 111.4 | ||||
| 199 | A | 26.9 | Very low | 31.5 | Very low | 104 Ų | 104 | 124.7 Ų | 124.7 | 86% | 0.86 | 74% | 0.741 | S | S | * | * | cis | -146.4 | -164.3 | 12.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 200 | D | 26.8 | Very low | 31.7 | Very low | 149 Ų | 149 | 128.1 Ų | 128.1 | 80% | 0.797 | 74% | 0.74 | S | S | * | * | trans | -132.3 | 161.4 | -160.4 | -171.8 | -107.8 | 0 | 0 | 0 | 114.8 | ||||
| 201 | T | 27.6 | Very low | 30.7 | Very low | 119 Ų | 119 | 128.1 Ų | 128.1 | 73% | 0.73 | 74% | 0.742 | S | S | * | * | trans | 137 | 120.2 | 154.1 | -56.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 202 | D | 27.8 | Very low | 30.2 | Very low | 125 Ų | 125 | 129.4 Ų | 129.4 | 67% | 0.668 | 74% | 0.739 | S | S | * | * | trans | 12.5 | 159.6 | 144.9 | -78.8 | -126.4 | 0 | 0 | 0 | 124.9 | ||||
| 203 | Q | 27.8 | Very low | 30.6 | Very low | 146 Ų | 146 | 130.9 Ų | 130.9 | 68% | 0.682 | 74% | 0.738 | S | S | * | * | cis | -177.7 | 170 | -24.3 | -155.4 | -163.8 | 124.5 | 0 | 0 | 110.2 | ||||
| 204 | V | 30.8 | Very low | 30.6 | Very low | 104 Ų | 104 | 128.5 Ų | 128.5 | 63% | 0.63 | 73% | 0.734 | S | S | * | * | trans | 64.8 | 161.2 | 157.3 | -105.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 205 | Q | 32 | Very low | 30.7 | Very low | 142 Ų | 142 | 129.5 Ų | 129.5 | 66% | 0.664 | 74% | 0.741 | S | S | * | * | cis | -162.3 | 145.7 | -6.6 | -164.8 | 47.9 | 99.7 | 0 | 0 | 114.1 | ||||
| 206 | N | 32.2 | Very low | 29.8 | Very low | 128 Ų | 128 | 128.1 Ų | 128.1 | 68% | 0.684 | 74% | 0.741 | S | S | * | * | trans | 62 | 163.5 | 149.4 | -81.8 | -13.4 | 0 | 0 | 0 | 122.3 | ||||
| 207 | L | 31.3 | Very low | 30 | Very low | 156 Ų | 156 | 129.3 Ų | 129.3 | 82% | 0.817 | 74% | 0.743 | S | S | * | * | cis | -151 | 167.6 | 33.4 | -167.8 | 61.2 | 0 | 0 | 0 | 115.7 | ||||
| 208 | A | 36.9 | Very low | 29.9 | Very low | 86 Ų | 86 | 130.9 Ų | 130.9 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | trans | -142.4 | 161.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 209 | V | 31.3 | Very low | 29.9 | Very low | 142 Ų | 142 | 125.2 Ų | 125.2 | 86% | 0.861 | 73% | 0.732 | S | S | * | * | trans | -156.1 | 156 | 174.5 | 173.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 210 | R | 36.1 | Very low | 29.9 | Very low | 200 Ų | 200 | 128.4 Ų | 128.4 | 76% | 0.755 | 73% | 0.729 | S | S | * | * | cis | 176.6 | 138.9 | -49.5 | 177.2 | -178.2 | 173.3 | 104.6 | 1.7 | 111 | ||||
| 211 | S | 26.4 | Very low | 30.1 | Very low | 111 Ų | 111 | 127.3 Ų | 127.3 | 78% | 0.776 | 72% | 0.723 | S | S | * | * | trans | -161 | 127 | 153.8 | -43.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 212 | Q | 32.7 | Very low | 30 | Very low | 136 Ų | 136 | 130.4 Ų | 130.4 | 64% | 0.636 | 73% | 0.729 | S | S | * | * | 67.1 | 130.8 | 64.4 | -57.8 | -103.2 | 110 | 0 | 0 | 111.8 | |||||
| 213 | Q | 34.9 | Very low | 30 | Very low | 146 Ų | 146 | 128.3 Ų | 128.3 | 68% | 0.682 | 74% | 0.737 | S | S | * | * | cis | -165.9 | 176.3 | 3.1 | -140.5 | -178.9 | -100.4 | 0 | 0 | 107.6 | ||||
| 214 | T | 27.6 | Very low | 30.1 | Very low | 109 Ų | 109 | 127.2 Ų | 127.2 | 67% | 0.669 | 75% | 0.745 | S | S | * | * | cis | -156.8 | 178.8 | 7.5 | -33.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 215 | S | 29.2 | Very low | 29.9 | Very low | 116 Ų | 116 | 126.3 Ų | 126.3 | 81% | 0.811 | 75% | 0.749 | S | S | * | * | trans | -141.6 | -178.8 | 178.2 | -44 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 216 | A | 28.2 | Very low | 29.7 | Very low | 97 Ų | 97 | 128.8 Ų | 128.8 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | cis | -164 | -171.5 | 9.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 217 | A | 28.4 | Very low | 29.4 | Very low | 96 Ų | 96 | 132.8 Ų | 132.8 | 79% | 0.793 | 77% | 0.772 | S | S | * | * | trans | 79.2 | 158.4 | 161.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 218 | N | 25.3 | Very low | 29.1 | Very low | 155 Ų | 155 | 129.6 Ų | 129.6 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | cis | -153.9 | 157.1 | 1.5 | -155.3 | 12.2 | 0 | 0 | 0 | 115.5 | ||||
| 219 | A | 28.8 | Very low | 28.5 | Very low | 63 Ų | 63 | 129.9 Ų | 129.9 | 52% | 0.521 | 77% | 0.771 | S | S | . | * | trans | 46.6 | 130 | 143.5 | 0 | 0 | 0 | 0 | 0 | 127.2 | ||||
| 220 | Q | 25.9 | Very low | 28.6 | Very low | 170 Ų | 170 | 131.1 Ų | 131.1 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | 92.4 | 117.4 | 125.6 | -77.9 | 171.1 | -122.1 | 0 | 0 | 125.9 | |||||
| 221 | L | 30.3 | Very low | 28.6 | Very low | 126 Ų | 126 | 127.6 Ų | 127.6 | 66% | 0.66 | 77% | 0.774 | S | S | * | * | 78.9 | 123.8 | 129.1 | -65.3 | 169.7 | 0 | 0 | 0 | 124.9 | |||||
| 222 | Q | 27 | Very low | 28.6 | Very low | 184 Ų | 184 | 125.3 Ų | 125.3 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | trans | 38.7 | 132.8 | 131.8 | -65.1 | 176.5 | -28.9 | 0 | 0 | 122.2 | ||||
| 223 | G | 27.8 | Very low | 28.3 | Very low | 82 Ų | 82 | 126.9 Ų | 126.9 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | trans | 176.1 | 102.8 | 162.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 224 | S | 28.5 | Very low | 28 | Very low | 122 Ų | 122 | 125.1 Ų | 125.1 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | -42.9 | 133.5 | 178.6 | -51.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 225 | A | 27.9 | Very low | 28.3 | Very low | 86 Ų | 86 | 128.7 Ų | 128.7 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | 54.7 | 134.5 | 118.7 | 0 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 226 | Q | 28.1 | Very low | 28.9 | Very low | 194 Ų | 194 | 128.9 Ų | 128.9 | 91% | 0.907 | 79% | 0.792 | S | S | * | * | trans | 63.9 | 126.4 | 144.2 | -67.7 | 177.7 | 2.8 | 0 | 0 | 122.3 | ||||
| 227 | K | 25.5 | Very low | 28.9 | Very low | 212 Ų | 212 | 130.3 Ų | 130.3 | 92% | 0.922 | 80% | 0.796 | S | S | * | * | -173.4 | 172.8 | 103.8 | -164.5 | 161.5 | 177.9 | -177.8 | 0 | 110.6 | |||||
| 228 | A | 25.2 | Very low | 28.8 | Very low | 89 Ų | 89 | 129.3 Ų | 129.3 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | trans | -140.1 | 176.7 | -172 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 229 | A | 24.4 | Very low | 28.9 | Very low | 92 Ų | 92 | 130 Ų | 130 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | trans | 93.7 | 125.4 | 159.5 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 230 | L | 31.5 | Very low | 29.8 | Very low | 168 Ų | 168 | 131.8 Ų | 131.8 | 88% | 0.88 | 81% | 0.805 | S | S | * | * | 31.1 | 160 | 121.2 | -61 | 174.8 | 0 | 0 | 0 | 121 | |||||
| 231 | P | 38.1 | Very low | 29.9 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | cis | -122.7 | -164 | 15 | 44 | -29.6 | 0 | 0 | 0 | 113.5 | ||||
| 232 | G | 26 | Very low | 29.7 | Very low | 63 Ų | 63 | 130.9 Ų | 130.9 | 65% | 0.649 | 81% | 0.812 | S | S | * | * | cis | 136.2 | 153 | -10.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 233 | N | 26.6 | Very low | 29.7 | Very low | 169 Ų | 169 | 128.6 Ų | 128.6 | 90% | 0.904 | 81% | 0.811 | S | S | * | * | trans | 64.8 | 158.5 | -176.8 | -85.2 | 9.6 | 0 | 0 | 0 | 116.8 | ||||
| 234 | S | 26.8 | Very low | 29.8 | Very low | 110 Ų | 110 | 131.2 Ų | 131.2 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | cis | -157 | 165.9 | 4.8 | 23.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 235 | Q | 34.4 | Very low | 29.9 | Very low | 184 Ų | 184 | 131.7 Ų | 131.7 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -90.7 | 175.4 | 168.5 | -52.5 | -175.9 | -73.1 | 0 | 0 | 112.2 | ||||
| 236 | P | 42.1 | Very low | 29.9 | Very low | 119 Ų | 119 | 131.1 Ų | 131.1 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | -154.2 | 160.6 | 84.9 | 40.2 | -20.8 | 0 | 0 | 0 | 119.4 | |||||
| 237 | S | 29.3 | Very low | 30.3 | Very low | 127 Ų | 127 | 131.4 Ų | 131.4 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | trans | 40.2 | 135.3 | 142 | -54.9 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 238 | G | 25.3 | Very low | 30.3 | Very low | 75 Ų | 75 | 127.2 Ų | 127.2 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | -168.3 | 137 | 158.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 239 | L | 28.3 | Very low | 30.4 | Very low | 169 Ų | 169 | 130.8 Ų | 130.8 | 89% | 0.885 | 81% | 0.806 | S | S | * | * | trans | -131.8 | 172 | -176.7 | -119 | 74.4 | 0 | 0 | 0 | 109.2 | ||||
| 240 | P | 47.3 | Very low | 30.9 | Very low | 102 Ų | 102 | 131 Ų | 131 | 66% | 0.662 | 81% | 0.807 | S | S | * | * | cis | -138.3 | -180 | -14.9 | 42.2 | -25.7 | 0 | 0 | 0 | 115.7 | ||||
| 241 | Q | 27.8 | Very low | 31 | Very low | 189 Ų | 189 | 130.4 Ų | 130.4 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | 73.7 | 144.1 | 144.6 | -155.8 | 162.1 | 27.2 | 0 | 0 | 120.7 | ||||
| 242 | A | 26.2 | Very low | 30.6 | Very low | 88 Ų | 88 | 128.4 Ų | 128.4 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -135.4 | 159.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 243 | T | 27.5 | Very low | 30.8 | Very low | 135 Ų | 135 | 134.4 Ų | 134.4 | 83% | 0.828 | 82% | 0.816 | S | S | * | * | trans | -152.3 | 131.1 | 159.9 | 9.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 244 | N | 29.7 | Very low | 30.9 | Very low | 137 Ų | 137 | 131.1 Ų | 131.1 | 73% | 0.733 | 81% | 0.812 | S | S | * | * | trans | 33.2 | 116.2 | 156.2 | -84.3 | -50.2 | 0 | 0 | 0 | 122.8 | ||||
| 245 | T | 30.3 | Very low | 31 | Very low | 132 Ų | 132 | 130.1 Ų | 130.1 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | 34.6 | 136.1 | 113 | 64.6 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 246 | G | 28.4 | Very low | 30.8 | Very low | 75 Ų | 75 | 126.6 Ų | 126.6 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | 160.2 | 103.8 | 161.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 247 | Q | 35.6 | Very low | 30.1 | Very low | 199 Ų | 199 | 126.7 Ų | 126.7 | 93% | 0.93 | 81% | 0.81 | S | S | * | * | trans | -83 | 138.2 | 166.6 | -68.9 | 176.8 | -5.8 | 0 | 0 | 110.5 | ||||
| 248 | T | 25.4 | Very low | 30.1 | Very low | 125 Ų | 125 | 126 Ų | 126 | 77% | 0.767 | 81% | 0.805 | S | S | * | * | trans | -141.9 | 160.4 | 163.5 | 58.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 249 | L | 28.2 | Very low | 31.3 | Very low | 164 Ų | 164 | 128.7 Ų | 128.7 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | cis | -138.3 | 157 | 26.6 | -56.7 | 90.5 | 0 | 0 | 0 | 113.1 | ||||
| 250 | A | 34.5 | Very low | 31.3 | Very low | 95 Ų | 95 | 124.1 Ų | 124.1 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | -154.8 | 86 | 155.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 251 | V | 33.4 | Very low | 30.5 | Very low | 156 Ų | 156 | 128 Ų | 128 | 95% | 0.945 | 81% | 0.812 | S | S | * | * | trans | 63 | 167.7 | 153.5 | -172.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 252 | A | 30 | Very low | 30.4 | Very low | 84 Ų | 84 | 123 Ų | 123 | 69% | 0.694 | 80% | 0.798 | S | S | * | * | trans | -123.5 | 152.1 | -155.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 253 | Q | 30.1 | Very low | 30.6 | Very low | 189 Ų | 189 | 126.3 Ų | 126.3 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | trans | 69.9 | 105.8 | 151.6 | -75.3 | -177.6 | -11.9 | 0 | 0 | 121.7 | ||||
| 254 | A | 28.6 | Very low | 30.5 | Very low | 99 Ų | 99 | 125.6 Ų | 125.6 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | 112.1 | 152.3 | 111 | 0 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 255 | A | 29.4 | Very low | 30.5 | Very low | 90 Ų | 90 | 125.7 Ų | 125.7 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | trans | 76.2 | 77 | 161.9 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 256 | S | 29.1 | Very low | 30.6 | Very low | 110 Ų | 110 | 123 Ų | 123 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | 58.1 | 140.1 | 122.5 | 61.9 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 257 | S | 28.4 | Very low | 30.8 | Very low | 121 Ų | 121 | 128.5 Ų | 128.5 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | 91.5 | 154 | 151.1 | 78.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 258 | S | 29.1 | Very low | 30.5 | Very low | 113 Ų | 113 | 122.4 Ų | 122.4 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | -115 | -171.7 | -172.6 | -31.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 259 | P | 50.9 | Low | 30.7 | Very low | 130 Ų | 130 | 120.7 Ų | 120.7 | 84% | 0.844 | 78% | 0.775 | S | S | * | * | cis | -124.4 | -173.4 | -23.4 | 40.1 | -25.3 | 0 | 0 | 0 | 111.4 | ||||
| 260 | G | 27 | Very low | 30.8 | Very low | 74 Ų | 74 | 119.8 Ų | 119.8 | 76% | 0.763 | 78% | 0.776 | S | S | * | * | trans | 161.9 | 102.2 | 161.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 261 | Q | 30.4 | Very low | 30.6 | Very low | 182 Ų | 182 | 118.8 Ų | 118.8 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | trans | 14.7 | 134 | 139.9 | -70.8 | -158.8 | 61.6 | 0 | 0 | 123.6 | ||||
| 262 | S | 25.6 | Very low | 30.6 | Very low | 86 Ų | 86 | 116.3 Ų | 116.3 | 60% | 0.601 | 77% | 0.765 | S | S | * | * | 76.2 | 130.7 | 124.2 | -65.5 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 263 | L | 30.5 | Very low | 30.7 | Very low | 156 Ų | 156 | 120.3 Ų | 120.3 | 82% | 0.817 | 77% | 0.774 | S | S | * | * | trans | 70.3 | 155.7 | 137.8 | -67.8 | 174.6 | 0 | 0 | 0 | 118 | ||||
| 264 | N | 26.5 | Very low | 30.6 | Very low | 120 Ų | 120 | 114.7 Ų | 114.7 | 64% | 0.642 | 77% | 0.767 | S | S | * | * | cis | -163.3 | 147.3 | -21.4 | -168.9 | -115.9 | 0 | 0 | 0 | 109.1 | ||||
| 265 | L | 29.5 | Very low | 30.9 | Very low | 139 Ų | 139 | 117.8 Ų | 117.8 | 73% | 0.728 | 77% | 0.769 | S | S | * | * | trans | 46.6 | 142.6 | 154.2 | -100.5 | 60.4 | 0 | 0 | 0 | 124.5 | ||||
| 266 | S | 31.5 | Very low | 30.9 | Very low | 77 Ų | 77 | 119.1 Ų | 119.1 | 54% | 0.538 | 77% | 0.772 | S | S | . | * | trans | 84.7 | 117.9 | 130.4 | -73.5 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 267 | Q | 32.1 | Very low | 30.9 | Very low | 189 Ų | 189 | 117.8 Ų | 117.8 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | 76.4 | 159.6 | 125.4 | -63.2 | 173.8 | 66.7 | 0 | 0 | 121.2 | |||||
| 268 | G | 29.6 | Very low | 31.1 | Very low | 71 Ų | 71 | 115.2 Ų | 115.2 | 73% | 0.732 | 77% | 0.768 | S | S | * | * | trans | 107.1 | 96.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 269 | A | 31.2 | Very low | 31.3 | Very low | 89 Ų | 89 | 116.7 Ų | 116.7 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | 70.2 | 99.6 | 57.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 270 | T | 30.2 | Very low | 30.3 | Very low | 146 Ų | 146 | 117 Ų | 117 | 90% | 0.896 | 77% | 0.772 | S | S | * | * | 111 | 131.6 | 70.7 | 39.8 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 271 | G | 29.5 | Very low | 30.5 | Very low | 74 Ų | 74 | 117.3 Ų | 117.3 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | trans | 98.3 | 157 | 166.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 272 | S | 34.3 | Very low | 30.4 | Very low | 103 Ų | 103 | 114.1 Ų | 114.1 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | cis | -172.6 | 153.1 | -14 | 43.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 273 | N | 30.7 | Very low | 30.6 | Very low | 168 Ų | 168 | 115.9 Ų | 115.9 | 90% | 0.898 | 78% | 0.777 | S | S | * | * | trans | 67.5 | 143.7 | 165.5 | -55.7 | -16.8 | 0 | 0 | 0 | 118.5 | ||||
| 274 | G | 28.9 | Very low | 30.4 | Very low | 71 Ų | 71 | 111.4 Ų | 111.4 | 73% | 0.732 | 77% | 0.768 | S | S | * | * | trans | 173.1 | 133.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 275 | I | 34.5 | Very low | 30.6 | Very low | 165 Ų | 165 | 111.3 Ų | 111.3 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | trans | -105.1 | 167 | -163 | -35.4 | 90.6 | 0 | 0 | 0 | 112.2 | ||||
| 276 | S | 30.4 | Very low | 30.8 | Very low | 117 Ų | 117 | 113 Ų | 113 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -29.8 | 144.3 | 169.3 | -48.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 277 | G | 28.1 | Very low | 30.8 | Very low | 82 Ų | 82 | 115.2 Ų | 115.2 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | trans | -103.5 | -164 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 278 | G | 32.5 | Very low | 30.9 | Very low | 67 Ų | 67 | 111 Ų | 111 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | trans | 125.8 | 121.8 | 161.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 279 | V | 32.6 | Very low | 31.1 | Very low | 145 Ų | 145 | 113.8 Ų | 113.8 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | trans | 61.2 | 157.5 | 156.1 | -49.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 280 | V | 31.8 | Very low | 31.1 | Very low | 136 Ų | 136 | 112.2 Ų | 112.2 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | cis | -114.2 | -139.3 | 5.6 | -80.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 281 | A | 29.6 | Very low | 31.3 | Very low | 81 Ų | 81 | 112.9 Ų | 112.9 | 67% | 0.669 | 78% | 0.776 | S | S | * | * | cis | -162.9 | 173.9 | -0.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 282 | S | 29.7 | Very low | 31.3 | Very low | 115 Ų | 115 | 113.4 Ų | 113.4 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | 56.4 | 109.2 | 162.5 | -60.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 283 | S | 28.1 | Very low | 31.1 | Very low | 123 Ų | 123 | 117.3 Ų | 117.3 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | 83.7 | 122.2 | 60.4 | -171.1 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 284 | G | 28 | Very low | 31 | Very low | 61 Ų | 61 | 113.5 Ų | 113.5 | 63% | 0.629 | 77% | 0.767 | S | S | * | * | cis | 166 | 179 | -3.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 285 | S | 31 | Very low | 31 | Very low | 118 Ų | 118 | 115.8 Ų | 115.8 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | trans | 76.3 | 155.3 | 168.8 | -34.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 286 | Q | 32.8 | Very low | 30.7 | Very low | 174 Ų | 174 | 112.9 Ų | 112.9 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | cis | -137.7 | 145.4 | 10.6 | -65.1 | 178 | 18.1 | 0 | 0 | 113.7 | ||||
| 287 | T | 31.9 | Very low | 30.5 | Very low | 124 Ų | 124 | 112.1 Ų | 112.1 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | trans | 33.5 | 144.2 | 141.1 | 60.8 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 288 | S | 34.3 | Very low | 30.6 | Very low | 101 Ų | 101 | 111.4 Ų | 111.4 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | cis | -170.7 | -161.4 | -10.7 | 50.2 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 289 | T | 32.6 | Very low | 31.3 | Very low | 129 Ų | 129 | 114.1 Ų | 114.1 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | cis | -163.1 | 162.8 | 6.8 | -16.3 | 0 | 0 | 0 | 0 | 105.9 | L291 | T289-L291 HydrophobicContact CG2-CD1 4.47Š| ||
| 290 | G | 31.2 | Very low | 31 | Very low | 57 Ų | 57 | 112.2 Ų | 112.2 | 59% | 0.588 | 76% | 0.764 | S | S | * | * | cis | -157 | 151.6 | -8.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 291 | L | 34.1 | Very low | 30.7 | Very low | 159 Ų | 159 | 109.2 Ų | 109.2 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | 74.1 | 130.6 | 89.4 | -63.7 | 175 | 0 | 0 | 0 | 113.4 | T289 | T289-L291 HydrophobicContact CG2-CD1 4.47Š| |||
| 292 | S | 30.3 | Very low | 30.6 | Very low | 86 Ų | 86 | 110.6 Ų | 110.6 | 60% | 0.601 | 77% | 0.765 | S | S | * | * | cis | -173.3 | 174.3 | 2.4 | -133.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 293 | Q | 31.3 | Very low | 30.4 | Very low | 185 Ų | 185 | 110.7 Ų | 110.7 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | trans | 69 | 149.3 | 152 | -74.3 | 171.9 | 100.1 | 0 | 0 | 118.4 | ||||
| 294 | A | 28 | Very low | 30.4 | Very low | 87 Ų | 87 | 112.9 Ų | 112.9 | 72% | 0.719 | 76% | 0.761 | S | S | * | * | cis | -154 | -162.3 | -11.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 295 | S | 27.7 | Very low | 30.5 | Very low | 119 Ų | 119 | 120.3 Ų | 120.3 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | cis | -159.8 | -174.6 | 6.4 | -159.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 296 | S | 28.2 | Very low | 30.4 | Very low | 105 Ų | 105 | 124.4 Ų | 124.4 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | -119.1 | 143.2 | 174 | 60.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 297 | A | 27 | Very low | 30.3 | Very low | 100 Ų | 100 | 118.9 Ų | 118.9 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | trans | 165.1 | 155.4 | 139.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 298 | G | 30.6 | Very low | 30.3 | Very low | 67 Ų | 67 | 120.4 Ų | 120.4 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | trans | -99.2 | -152 | 150.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 299 | P | 47.6 | Very low | 30 | Very low | 125 Ų | 125 | 118.7 Ų | 118.7 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | cis | -132.8 | -169.4 | -0.9 | 43.3 | -27.1 | 0 | 0 | 0 | 113.4 | ||||
| 300 | A | 25.3 | Very low | 29.8 | Very low | 105 Ų | 105 | 119.4 Ų | 119.4 | 87% | 0.868 | 78% | 0.775 | S | S | * | * | trans | 64.5 | 155.6 | 160 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 301 | G | 25.2 | Very low | 29.7 | Very low | 72 Ų | 72 | 123.1 Ų | 123.1 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | cis | 165.2 | -176.4 | -9.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 302 | S | 27.9 | Very low | 29.4 | Very low | 110 Ų | 110 | 123.3 Ų | 123.3 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | 74.9 | 96.9 | 162.3 | -158.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 303 | C | 25.3 | Very low | 29.7 | Very low | 118 Ų | 118 | 124.4 Ų | 124.4 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | 64.5 | 163.4 | 128.2 | -59.2 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 304 | Q | 28.8 | Very low | 29.8 | Very low | 168 Ų | 168 | 121.9 Ų | 121.9 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | cis | -125.7 | 150.2 | 1.4 | -76.8 | -168 | 10.5 | 0 | 0 | 110.7 | ||||
| 305 | R | 29.4 | Very low | 30.3 | Very low | 217 Ų | 217 | 123 Ų | 123 | 82% | 0.819 | 78% | 0.779 | S | S | * | * | 44.5 | 128 | 95.6 | -136 | -168 | -71.4 | -97.3 | 3 | 112.6 | |||||
| 306 | K | 29.1 | Very low | 30.2 | Very low | 204 Ų | 204 | 124 Ų | 124 | 89% | 0.887 | 77% | 0.774 | S | S | * | * | cis | -177.7 | 150.5 | 45.3 | -164.2 | 177.2 | -177 | -175.4 | 0 | 106.7 | ||||
| 307 | G | 30.1 | Very low | 30.1 | Very low | 58 Ų | 58 | 123.8 Ų | 123.8 | 60% | 0.598 | 78% | 0.778 | S | S | * | * | cis | 172.2 | 178.5 | -5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 308 | T | 31.5 | Very low | 30.2 | Very low | 156 Ų | 156 | 123 Ų | 123 | 96% | 0.957 | 77% | 0.772 | S | S | * | * | trans | 57.4 | 124.8 | 164.7 | 52.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 309 | G | 29.1 | Very low | 30 | Very low | 65 Ų | 65 | 123.6 Ų | 123.6 | 67% | 0.67 | 77% | 0.77 | S | S | * | * | cis | 164.1 | 171.2 | -8.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 310 | V | 27.8 | Very low | 29.1 | Very low | 145 Ų | 145 | 124.9 Ų | 124.9 | 88% | 0.879 | 77% | 0.765 | S | S | * | * | trans | 53 | 139 | 158.6 | -107.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 311 | V | 28.7 | Very low | 29.2 | Very low | 134 Ų | 134 | 123.7 Ų | 123.7 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | cis | -141.2 | 163.8 | 16 | -160.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 312 | Q | 27.7 | Very low | 30 | Very low | 163 Ų | 163 | 126.5 Ų | 126.5 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | trans | -68.8 | 179.9 | 160.9 | -112.7 | -147.5 | 93.8 | 0 | 0 | 112.3 | ||||
| 313 | P | 36.8 | Very low | 30.1 | Very low | 110 Ų | 110 | 128.1 Ų | 128.1 | 71% | 0.714 | 76% | 0.763 | S | S | * | * | cis | -134.5 | -176.5 | 16.6 | 43.4 | -25.9 | 0 | 0 | 0 | 117.3 | ||||
| 314 | L | 35 | Very low | 30.8 | Very low | 132 Ų | 132 | 128.6 Ų | 128.6 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | trans | -105.7 | 146.3 | 167.3 | -163.9 | 76.9 | 0 | 0 | 0 | 110.7 | I316 | L314-I316 HydrophobicContact CD2-CD1 4.33Å; L314-I316 HydrophobicContact CD2-CG1 4.02Å; L314-I316 HydrophobicContact CG-CG1 4.46Å | ||
| 315 | P | 37.4 | Very low | 30.7 | Very low | 111 Ų | 111 | 125.9 Ų | 125.9 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | -135 | 155.4 | 121.3 | 37 | -27.1 | 0 | 0 | 0 | 111.4 | |||||
| 316 | I | 25.7 | Very low | 31 | Very low | 140 Ų | 140 | 124.6 Ų | 124.6 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | cis | 81.4 | 106.9 | 33.5 | -58.3 | 178.3 | 0 | 0 | 0 | 114.6 | L314 | L314-I316 HydrophobicContact CD2-CD1 4.33Å; L314-I316 HydrophobicContact CD2-CG1 4.02Å; L314-I316 HydrophobicContact CG-CG1 4.46Å | ||
| 317 | A | 27 | Very low | 31 | Very low | 100 Ų | 100 | 118.4 Ų | 118.4 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | trans | 59.5 | 171.3 | 162.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 318 | A | 28.6 | Very low | 31.2 | Very low | 84 Ų | 84 | 121.1 Ų | 121.1 | 69% | 0.694 | 77% | 0.769 | S | S | * | * | cis | -135 | 170 | 1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 319 | A | 26.7 | Very low | 31.1 | Very low | 78 Ų | 78 | 122.2 Ų | 122.2 | 65% | 0.645 | 76% | 0.763 | S | S | * | * | cis | 57.5 | 140.4 | 48.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 320 | Q | 28.5 | Very low | 31.3 | Very low | 152 Ų | 152 | 124.9 Ų | 124.9 | 71% | 0.71 | 77% | 0.766 | S | S | * | * | cis | -162.5 | -167.5 | 5.3 | -119.8 | 171.3 | 48.2 | 0 | 0 | 111.2 | ||||
| 321 | A | 26.6 | Very low | 31.3 | Very low | 80 Ų | 80 | 125.8 Ų | 125.8 | 66% | 0.661 | 76% | 0.761 | S | S | * | * | trans | 28.4 | 141.9 | 155.5 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 322 | V | 43.2 | Very low | 31.4 | Very low | 132 Ų | 132 | 125 Ų | 125 | 80% | 0.8 | 76% | 0.757 | S | S | * | * | cis | 72.4 | 110.8 | 37.8 | -176.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 323 | T | 28.9 | Very low | 31.5 | Very low | 144 Ų | 144 | 125.4 Ų | 125.4 | 88% | 0.883 | 76% | 0.759 | S | S | * | * | trans | -148.1 | 168.1 | 160.1 | 46.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 324 | V | 39.4 | Very low | 31.1 | Very low | 127 Ų | 127 | 126.2 Ų | 126.2 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | trans | -144.9 | 144.3 | -172.2 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 325 | S | 28.2 | Very low | 31 | Very low | 112 Ų | 112 | 124.1 Ų | 124.1 | 78% | 0.783 | 76% | 0.759 | S | S | * | * | trans | -168.4 | 142.5 | 154.3 | -77.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 326 | Q | 35.1 | Very low | 30.7 | Very low | 190 Ų | 190 | 124.5 Ų | 124.5 | 89% | 0.888 | 76% | 0.759 | S | S | * | * | cis | 80.9 | 121.7 | 41.4 | -72.9 | -108.1 | 77.4 | 0 | 0 | 114.5 | ||||
| 327 | G | 29 | Very low | 31.1 | Very low | 73 Ų | 73 | 123.5 Ų | 123.5 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | trans | 162.4 | 153.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 328 | S | 33.3 | Very low | 31.5 | Very low | 116 Ų | 116 | 127.4 Ų | 127.4 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | trans | -147.4 | 157.8 | -168.1 | -52.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 329 | Q | 30.6 | Very low | 31.5 | Very low | 179 Ų | 179 | 130.9 Ų | 130.9 | 84% | 0.836 | 76% | 0.758 | S | S | * | * | trans | -171.9 | 123.3 | 156.9 | -98.5 | 152.9 | 55.8 | 0 | 0 | 107 | ||||
| 330 | T | 33.7 | Very low | 31.8 | Very low | 120 Ų | 120 | 130 Ų | 130 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | 56.7 | 139.7 | 90.8 | 58.5 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 331 | E | 28.2 | Very low | 31.8 | Very low | 164 Ų | 164 | 130.8 Ų | 130.8 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | cis | -160.7 | -178.7 | 24.5 | -139.8 | 171.2 | 116.4 | 0 | 0 | 114.9 | ||||
| 332 | T | 30.5 | Very low | 31.9 | Very low | 117 Ų | 117 | 131.9 Ų | 131.9 | 72% | 0.718 | 77% | 0.768 | S | S | * | * | trans | 48.9 | 104.7 | 158.7 | 57.5 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 333 | E | 29.2 | Very low | 31.3 | Very low | 173 Ų | 173 | 132.3 Ų | 132.3 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | 29.2 | 131.5 | 111.6 | -150.2 | -171.3 | 105.3 | 0 | 0 | 123.1 | |||||
| 334 | N | 28.3 | Very low | 31.4 | Very low | 126 Ų | 126 | 130.8 Ų | 130.8 | 67% | 0.674 | 76% | 0.761 | S | S | * | * | 143.3 | 150.2 | 115.8 | -148.1 | -44.9 | 0 | 0 | 0 | 113.7 | |||||
| 335 | A | 33.2 | Very low | 31 | Very low | 89 Ų | 89 | 128.4 Ų | 128.4 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | trans | -157.7 | 121.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 336 | T | 31.3 | Very low | 31.1 | Very low | 118 Ų | 118 | 126.7 Ų | 126.7 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | trans | -152.6 | 119 | 172.5 | 1.7 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 337 | T | 33 | Very low | 30.9 | Very low | 119 Ų | 119 | 125.8 Ų | 125.8 | 73% | 0.73 | 76% | 0.759 | S | S | * | * | trans | 51.8 | 113.6 | 134.3 | 53.8 | 0 | 0 | 0 | 0 | 125 | ||||
| 338 | K | 35.2 | Very low | 31.1 | Very low | 183 Ų | 183 | 129.9 Ų | 129.9 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | 71.1 | 129.8 | 103.3 | -169.9 | -167.6 | 176.5 | -170.4 | 0 | 121.9 | |||||
| 339 | K | 30.3 | Very low | 31.2 | Very low | 157 Ų | 157 | 130.1 Ų | 130.1 | 68% | 0.683 | 76% | 0.755 | S | S | * | * | trans | 66.5 | 155.4 | 165.3 | -100.4 | -178.4 | 139.5 | -76.1 | 0 | 115.8 | E341 | K339-E341 IonicContact NZ-OE2 2.99Å; K339-E341 PolarHBondContact NZ-OE2 3.33Å | ||
| 340 | G | 31.3 | Very low | 31.4 | Very low | 59 Ų | 59 | 128.7 Ų | 128.7 | 61% | 0.608 | 76% | 0.758 | S | S | * | * | cis | 118.2 | 94.1 | -22.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 341 | E | 28.8 | Very low | 31.3 | Very low | 169 Ų | 169 | 126 Ų | 126 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | trans | -178.7 | 159.5 | 144.9 | -112.2 | 166.7 | 78.8 | 0 | 0 | 113.1 | K339 | K339-E341 IonicContact NZ-OE2 2.99Å; K339-E341 PolarHBondContact NZ-OE2 3.33Å | ||
| 342 | A | 30.1 | Very low | 31.6 | Very low | 102 Ų | 102 | 126.7 Ų | 126.7 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | trans | 59.2 | 169 | 163.3 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 343 | D | 30.7 | Very low | 31.6 | Very low | 142 Ų | 142 | 128.8 Ų | 128.8 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | cis | -174.5 | 165 | -49.1 | -177.9 | -118.4 | 0 | 0 | 0 | 109.5 | ||||
| 344 | S | 31 | Very low | 31.8 | Very low | 111 Ų | 111 | 127.7 Ų | 127.7 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | trans | 70.8 | 137.9 | 159.8 | -80.3 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 345 | G | 30.1 | Very low | 32.2 | Very low | 78 Ų | 78 | 128 Ų | 128 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | 139.7 | 103 | 154.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 346 | G | 30 | Very low | 32.2 | Very low | 76 Ų | 76 | 134.9 Ų | 134.9 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | trans | 55.1 | 129.4 | 155.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 347 | Q | 31.8 | Very low | 32.4 | Very low | 170 Ų | 170 | 135 Ų | 135 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | cis | 97.9 | 133.7 | 39.8 | -85.3 | -153.7 | 8.5 | 0 | 0 | 115.6 | ||||
| 348 | Q | 33.2 | Very low | 32.3 | Very low | 160 Ų | 160 | 134 Ų | 134 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | 67.4 | 127.3 | 159.3 | -65.6 | 179.4 | 65.4 | 0 | 0 | 116.9 | ||||
| 349 | T | 33.7 | Very low | 32.4 | Very low | 120 Ų | 120 | 131.7 Ų | 131.7 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | cis | 107.7 | 158.8 | 29.3 | 55.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 350 | V | 35.2 | Very low | 32.9 | Very low | 149 Ų | 149 | 130.6 Ų | 130.6 | 90% | 0.903 | 79% | 0.793 | S | S | * | * | trans | 77.1 | 139.2 | -173.6 | -167.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 351 | G | 31.9 | Very low | 32.9 | Very low | 63 Ų | 63 | 132 Ų | 132 | 65% | 0.649 | 80% | 0.8 | S | S | * | * | cis | 160.1 | 139.9 | -13.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 352 | M | 35.3 | Very low | 33.8 | Very low | 180 Ų | 180 | 129.4 Ų | 129.4 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | trans | 56.4 | 135.8 | 161.1 | -64.2 | -176.5 | 170.4 | 0 | 0 | 121.3 | ||||
| 353 | N | 30.4 | Very low | 33.8 | Very low | 161 Ų | 161 | 129.6 Ų | 129.6 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | trans | -150.3 | 166.7 | 140.1 | -136.3 | -88.2 | 0 | 0 | 0 | 112.5 | ||||
| 354 | L | 32.6 | Very low | 34.1 | Very low | 150 Ų | 150 | 131.6 Ų | 131.6 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | -122.6 | 155.1 | -163.3 | -112.4 | 71.2 | 0 | 0 | 0 | 114.5 | ||||
| 355 | T | 36.9 | Very low | 34.4 | Very low | 131 Ų | 131 | 132.7 Ų | 132.7 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -53 | 135.9 | 170.2 | -54 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 356 | R | 33.9 | Very low | 34.7 | Very low | 235 Ų | 235 | 136.6 Ų | 136.6 | 89% | 0.887 | 80% | 0.801 | S | S | * | * | -168.3 | 159.7 | 114.8 | -147 | 154.1 | -179.9 | -91.9 | 2.1 | 114.9 | |||||
| 357 | T | 34.9 | Very low | 35 | Very low | 121 Ų | 121 | 140.8 Ų | 140.8 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | trans | -95.7 | 147 | -171.3 | -20.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 358 | A | 31.9 | Very low | 35.1 | Very low | 97 Ų | 97 | 137.3 Ų | 137.3 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | trans | -157.9 | 145.8 | 153.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 359 | T | 37.3 | Very low | 35.2 | Very low | 135 Ų | 135 | 135 Ų | 135 | 83% | 0.828 | 80% | 0.799 | S | S | * | * | trans | -139.5 | 143.6 | 167.3 | 34.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 360 | P | 40.6 | Very low | 35.2 | Very low | 133 Ų | 133 | 133.8 Ų | 133.8 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | -143.1 | -173.5 | 89.5 | 38.6 | -21.6 | 0 | 0 | 0 | 114.2 | |||||
| 361 | A | 30.3 | Very low | 35.6 | Very low | 90 Ų | 90 | 132.8 Ų | 132.8 | 74% | 0.744 | 80% | 0.796 | S | S | * | * | trans | -124.5 | 176.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 362 | P | 48.6 | Very low | 36 | Very low | 113 Ų | 113 | 139.9 Ų | 139.9 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | cis | -138.4 | -172.9 | 8 | 43.8 | -26.2 | 0 | 0 | 0 | 116.6 | ||||
| 363 | S | 29.8 | Very low | 36.7 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | 92.7 | 145.8 | 158.5 | 80.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 364 | Q | 35.9 | Very low | 37.5 | Very low | 184 Ų | 184 | 136.2 Ų | 136.2 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | 54.8 | 100.9 | 173.6 | -63.7 | -68 | 75.3 | 0 | 0 | 117.9 | ||||
| 365 | T | 38 | Very low | 38.5 | Very low | 133 Ų | 133 | 135 Ų | 135 | 82% | 0.816 | 78% | 0.781 | S | S | * | * | trans | -138.9 | 124.4 | 161.2 | -50.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 366 | L | 37.4 | Very low | 39.2 | Very low | 161 Ų | 161 | 134.8 Ų | 134.8 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | trans | -68.1 | 127.9 | 173 | -69.2 | 159.3 | 0 | 0 | 0 | 109.4 | S368 | L366-S368 PolarHBondContact O-N 2.87Š| ||
| 367 | I | 35.4 | Very low | 40.4 | Very low | 164 Ų | 164 | 128.2 Ų | 128.2 | 84% | 0.841 | 76% | 0.759 | S | S | * | * | trans | -79.6 | 86.9 | -180 | -54.2 | 179.3 | 0 | 0 | 0 | 109.7 | ||||
| 368 | S | 34.1 | Very low | 41.4 | Very low | 96 Ų | 96 | 128.3 Ų | 128.3 | 67% | 0.671 | 75% | 0.75 | S | S | * | * | trans | -84.6 | 135.1 | 162.1 | -66.1 | 0 | 0 | 0 | 0 | 110.2 | L366 | L366-S368 PolarHBondContact O-N 2.87Š| ||
| 369 | S | 35.1 | Very low | 43 | Very low | 112 Ų | 112 | 127.2 Ų | 127.2 | 78% | 0.783 | 74% | 0.737 | S | S | * | * | trans | 41.9 | 86.6 | 160.5 | 56.4 | 0 | 0 | 0 | 0 | 116.6 | T371 | S369-T371 PolarHBondContact O-N 3.2Š| ||
| 370 | A | 34.5 | Very low | 44.7 | Very low | 95 Ų | 95 | 125.5 Ų | 125.5 | 79% | 0.785 | 72% | 0.722 | S | S | * | * | trans | -67.4 | 125.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y372 | A370-Y372 PolarHBondContact O-N 3.47Š| ||
| 371 | T | 43.5 | Very low | 46.3 | Very low | 127 Ų | 127 | 124.3 Ų | 124.3 | 78% | 0.779 | 71% | 0.707 | S | S | * | * | trans | -58.6 | 123.2 | 176.1 | -53.5 | 0 | 0 | 0 | 0 | 110.9 | S369 T373 | S369-T371 PolarHBondContact O-N 3.2Å; T371-T373 PolarHBondContact O-N 3.21Å | ||
| 372 | Y | 39.1 | Very low | 48.6 | Very low | 212 Ų | 212 | 125 Ų | 125 | 83% | 0.831 | 70% | 0.695 | S | S | * | * | trans | -67.2 | 93.9 | 174.5 | -177.3 | -94.3 | 0 | 0 | 0 | 110.3 | A370 Q374 | A370-Y372 PolarHBondContact O-N 3.47Å; Y372-Q374 PolarHBondContact O-N 2.97Å | ||
| 373 | T | 50.2 | Low | 50.1 | Low | 111 Ų | 111 | 125.4 Ų | 125.4 | 68% | 0.681 | 69% | 0.687 | S | S | * | * | trans | -72.2 | 110.7 | 171.3 | 43.2 | 0 | 0 | 0 | 0 | 108.8 | T371 I375 | T371-T373 PolarHBondContact O-N 3.21Å; T373-I375 PolarHBondContact O-N 3.46Å | ||
| 374 | Q | 47.7 | Very low | 52.3 | Low | 154 Ų | 154 | 126.8 Ų | 126.8 | 72% | 0.72 | 68% | 0.682 | S | S | * | * | trans | -62.6 | 99.7 | 175.9 | -175.6 | -165.8 | 88.8 | 0 | 0 | 109.5 | Y372 Q376 | Y372-Q374 PolarHBondContact O-N 2.97Å; Q374-Q376 PolarHBondContact O-N 3Å; Q374-Q376 VanDerWaalsContact O-N 3.08Å | ||
| 375 | I | 53.2 | Low | 54.2 | Low | 123 Ų | 123 | 123.7 Ų | 123.7 | 63% | 0.631 | 67% | 0.667 | S | S | * | * | trans | -64.2 | 111.9 | 174.4 | -59.7 | 176.5 | 0 | 0 | 0 | 107.7 | T373 | T373-I375 PolarHBondContact O-N 3.46Š| ||
| 376 | Q | 51.8 | Low | 56 | Low | 128 Ų | 128 | 124.1 Ų | 124.1 | 60% | 0.598 | 66% | 0.66 | S | S | * | * | trans | -59.4 | 132.9 | 174.5 | -71.4 | -169.8 | 3.1 | 0 | 0 | 109.6 | Q374 H378 S379 | Q374-Q376 PolarHBondContact O-N 3Å; Q374-Q376 VanDerWaalsContact O-N 3.08Å; Q376-H378 PolarHBondContact O-N 3.1Å; Q376-S379 PolarHBondContact O-N 3.4Å; Q376-S379 VanDerWaalsContact O-N 3.11Å | ||
| 377 | P | 59.5 | Low | 58.1 | Low | 97 Ų | 97 | 120.9 Ų | 120.9 | 63% | 0.63 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -61 | -24.2 | -174.2 | 23 | -33.7 | 0 | 0 | 0 | 113 | S379 L380 I381 | P377-S379 VanDerWaalsContact C-N 3.33Å; P377-S379 PolarHBondContact O-N 3.45Å; P377-L380 PolarHBondContact O-N 3.39Å; P377-I381 WeakPolarHBondContact O-CD1 3.36Å; P377-I381 VanDerWaalsContact O-CG1 3.3Å; P377-I381 WeakPolarHBondContact O-CG1 3.38Å; P377-I381 PolarHBondContact O-N 2.87Å; P377-I381 VanDerWaalsContact O-N 3.1Å |
| 378 | H | 56.3 | Low | 59.9 | Low | 123 Ų | 123 | 119.3 Ų | 119.3 | 57% | 0.569 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -58 | -41.2 | 176.7 | -162.1 | -80.8 | 0 | 0 | 0 | 112.8 | Q376 L380 I381 Q382 | Q376-H378 PolarHBondContact O-N 3.1Å; H378-L380 PolarHBondContact O-N 3Å; H378-I381 PolarHBondContact O-N 3.13Å; H378-Q382 WeakPolarHBondContact O-CB 3.33Å; H378-Q382 PolarHBondContact O-N 3.28Å |
| 379 | S | 64.7 | Low | 62.4 | Low | 73 Ų | 73 | 119.8 Ų | 119.8 | 51% | 0.51 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -67.7 | -37.5 | -179 | -57.1 | 0 | 0 | 0 | 0 | 112.3 | Q376 P377 Q382 Q383 | Q376-S379 PolarHBondContact O-N 3.4Å; Q376-S379 VanDerWaalsContact O-N 3.11Å; P377-S379 VanDerWaalsContact C-N 3.33Å; P377-S379 PolarHBondContact O-N 3.45Å; S379-Q382 PolarHBondContact O-N 3.33Å; S379-Q383 WeakPolarHBondContact O-CB 3.25Å; S379-Q383 PolarHBondContact O-N 3.5Å |
| 380 | L | 72.7 | Confident | 64.5 | Low | 100 Ų | 100 | 121 Ų | 121 | 52% | 0.524 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -69.4 | -40 | 177.5 | -158.1 | 80.3 | 0 | 0 | 0 | 111.4 | P377 H378 Q383 Q384 | P377-L380 PolarHBondContact O-N 3.39Å; H378-L380 PolarHBondContact O-N 3Å; L380-Q383 PolarHBondContact O-N 3.47Å; L380-Q384 WeakPolarHBondContact O-CB 3.35Å; L380-Q384 PolarHBondContact O-N 2.84Å |
| 381 | I | 75.4 | Confident | 66.6 | Low | 107 Ų | 107 | 121.9 Ų | 121.9 | 55% | 0.549 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63.6 | -44.1 | 175 | -67.2 | 164.2 | 0 | 0 | 0 | 110.6 | P377 H378 Q384 Q385 | P377-I381 WeakPolarHBondContact O-CD1 3.36Å; P377-I381 VanDerWaalsContact O-CG1 3.3Å; P377-I381 WeakPolarHBondContact O-CG1 3.38Å; P377-I381 PolarHBondContact O-N 2.87Å; P377-I381 VanDerWaalsContact O-N 3.1Å; H378-I381 PolarHBondContact O-N 3.13Å; I381-Q384 PolarHBondContact O-N 3.13Å; I381-Q385 WeakPolarHBondContact O-CB 3.34Å; I381-Q385 PolarHBondContact O-N 3.37Å |
| 382 | Q | 77.9 | Confident | 68.3 | Low | 106 Ų | 106 | 121.3 Ų | 121.3 | 50% | 0.495 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -60.9 | -46.9 | 176.8 | -166.3 | 107.6 | 68.5 | 0 | 0 | 111.5 | H378 S379 Q385 Q386 | H378-Q382 WeakPolarHBondContact O-CB 3.33Å; H378-Q382 PolarHBondContact O-N 3.28Å; S379-Q382 PolarHBondContact O-N 3.33Å; Q382-Q385 PolarHBondContact O-N 3.35Å; Q382-Q386 PolarHBondContact O-N 3.41Å |
| 383 | Q | 79.1 | Confident | 70.5 | Confident | 120 Ų | 120 | 115.9 Ų | 115.9 | 56% | 0.561 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62 | -46.2 | 177.2 | -175.4 | 179.9 | 59.9 | 0 | 0 | 111.7 | S379 L380 Q385 Q386 I387 | S379-Q383 WeakPolarHBondContact O-CB 3.25Å; S379-Q383 PolarHBondContact O-N 3.5Å; L380-Q383 PolarHBondContact O-N 3.47Å; Q383-Q385 VanDerWaalsContact C-N 3.32Å; Q383-Q385 PolarHBondContact O-N 3.25Å; Q383-Q386 PolarHBondContact O-N 3.3Å; Q383-I387 HydrophobicContact CG-CD1 4.07Å; Q383-I387 WeakPolarHBondContact O-CG1 3.41Å; Q383-I387 PolarHBondContact O-N 3.15Å |
| 384 | Q | 76.8 | Confident | 72.3 | Confident | 137 Ų | 137 | 114.7 Ų | 114.7 | 64% | 0.64 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.9 | -38.2 | 178.4 | -173.3 | 170.9 | 99.5 | 0 | 0 | 112 | L380 I381 I387 H388 | L380-Q384 WeakPolarHBondContact O-CB 3.35Å; L380-Q384 PolarHBondContact O-N 2.84Å; I381-Q384 PolarHBondContact O-N 3.13Å; Q384-I387 PolarHBondContact O-N 3.41Å; Q384-H388 PolarHBondContact O-N 2.82Å |
| 385 | Q | 75.8 | Confident | 74.3 | Confident | 119 Ų | 119 | 112 Ų | 112 | 56% | 0.556 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -68.6 | -37.9 | 176.9 | -170.1 | 166.3 | 92.6 | 0 | 0 | 112.4 | I381 Q382 Q383 H388 L389 | I381-Q385 WeakPolarHBondContact O-CB 3.34Å; I381-Q385 PolarHBondContact O-N 3.37Å; Q382-Q385 PolarHBondContact O-N 3.35Å; Q383-Q385 VanDerWaalsContact C-N 3.32Å; Q383-Q385 PolarHBondContact O-N 3.25Å; Q385-H388 WeakPolarHBondContact O-CB 3.44Å; Q385-H388 PolarHBondContact O-N 3.32Å; Q385-L389 PolarHBondContact O-N 3.19Å |
| 386 | Q | 76.3 | Confident | 75.8 | Confident | 142 Ų | 142 | 112 Ų | 112 | 66% | 0.664 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67.5 | -40.1 | 174.8 | -173.3 | 167.6 | -8.9 | 0 | 0 | 112.3 | Q382 Q383 H388 L389 Q390 | Q382-Q386 PolarHBondContact O-N 3.41Å; Q383-Q386 PolarHBondContact O-N 3.3Å; Q386-H388 VanDerWaalsContact C-N 3.3Å; Q386-H388 PolarHBondContact O-N 2.86Å; Q386-L389 PolarHBondContact O-N 2.81Å; Q386-Q390 PolarHBondContact O-N 2.84Å |
| 387 | I | 80.3 | Confident | 77.5 | Confident | 93 Ų | 93 | 111.6 Ų | 111.6 | 48% | 0.477 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.4 | -39.8 | 171.6 | -67.7 | 165.6 | 0 | 0 | 0 | 110.6 | Q383 Q384 Q390 K391 | Q383-I387 HydrophobicContact CG-CD1 4.07Å; Q383-I387 WeakPolarHBondContact O-CG1 3.41Å; Q383-I387 PolarHBondContact O-N 3.15Å; Q384-I387 PolarHBondContact O-N 3.41Å; I387-Q390 PolarHBondContact O-N 3.26Å; I387-K391 WeakPolarHBondContact O-CB 3.47Å; I387-K391 PolarHBondContact O-N 3.43Å |
| 388 | H | 74.8 | Confident | 78.8 | Confident | 130 Ų | 130 | 112.8 Ų | 112.8 | 60% | 0.602 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.9 | -45 | 178 | -135.6 | 93.7 | 0 | 0 | 0 | 112.2 | Q384 Q385 Q386 Q390 K391 Q392 | Q384-H388 PolarHBondContact O-N 2.82Å; Q385-H388 WeakPolarHBondContact O-CB 3.44Å; Q385-H388 PolarHBondContact O-N 3.32Å; Q386-H388 VanDerWaalsContact C-N 3.3Å; Q386-H388 PolarHBondContact O-N 2.86Å; H388-Q390 PolarHBondContact O-N 3.02Å; H388-K391 PolarHBondContact O-N 3.29Å; H388-Q392 WeakPolarHBondContact O-CB 3.28Å; H388-Q392 PolarHBondContact O-N 3.11Å |
| 389 | L | 85 | Confident | 80.3 | Confident | 106 Ų | 106 | 111.6 Ų | 111.6 | 56% | 0.555 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60.3 | -43.9 | 173.8 | -102 | 65.7 | 0 | 0 | 0 | 111.8 | Q385 Q386 Q392 V393 | Q385-L389 PolarHBondContact O-N 3.19Å; Q386-L389 PolarHBondContact O-N 2.81Å; L389-Q392 PolarHBondContact O-N 2.98Å; L389-V393 WeakPolarHBondContact O-CG2 3.48Å; L389-V393 PolarHBondContact O-N 3.39Å |
| 390 | Q | 80.4 | Confident | 81.3 | Confident | 137 Ų | 137 | 110.7 Ų | 110.7 | 64% | 0.64 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.3 | -44.4 | 178.8 | -165.9 | 176.2 | 28.6 | 0 | 0 | 111.7 | Q386 I387 H388 Q392 V393 V394 | Q386-Q390 PolarHBondContact O-N 2.84Å; I387-Q390 PolarHBondContact O-N 3.26Å; H388-Q390 PolarHBondContact O-N 3.02Å; Q390-Q392 VanDerWaalsContact C-N 3.31Å; Q390-Q392 PolarHBondContact O-N 3Å; Q390-V393 PolarHBondContact O-N 3.14Å; Q390-V394 WeakPolarHBondContact O-CG2 3.27Å; Q390-V394 PolarHBondContact O-N 3.42Å |
| 391 | K | 79.1 | Confident | 81.9 | Confident | 114 Ų | 114 | 109.1 Ų | 109.1 | 50% | 0.496 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.5 | -37.1 | 176.1 | -153 | 165.1 | -169.6 | 169.7 | 0 | 110.9 | I387 H388 I395 E728 | I387-K391 WeakPolarHBondContact O-CB 3.47Å; I387-K391 PolarHBondContact O-N 3.43Å; H388-K391 PolarHBondContact O-N 3.29Å; K391-I395 HydrophobicContact CG-CD1 4.43Å; K391-I395 WeakPolarHBondContact O-CB 3.37Å; K391-I395 WeakPolarHBondContact O-CD1 3.49Å; K391-I395 WeakPolarHBondContact O-CG1 3.4Å; K391-I395 PolarHBondContact O-N 3.11Å; K391-E728 IonicContact NZ-OE1 3.74Å; K391-E728 PolarHBondContact NZ-OE1 3.24Å |
| 392 | Q | 78.2 | Confident | 82.4 | Confident | 115 Ų | 115 | 106.7 Ų | 106.7 | 54% | 0.537 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66 | -43.8 | 174.9 | -173.1 | 175.1 | 0.7 | 0 | 0 | 112.9 | H388 L389 Q390 I395 Q396 | H388-Q392 WeakPolarHBondContact O-CB 3.28Å; H388-Q392 PolarHBondContact O-N 3.11Å; L389-Q392 PolarHBondContact O-N 2.98Å; Q390-Q392 VanDerWaalsContact C-N 3.31Å; Q390-Q392 PolarHBondContact O-N 3Å; Q392-I395 PolarHBondContact O-N 3.37Å; Q392-Q396 WeakPolarHBondContact O-CB 3.32Å; Q392-Q396 PolarHBondContact O-N 2.86Å |
| 393 | V | 85.8 | Confident | 82.6 | Confident | 99 Ų | 99 | 107.6 Ų | 107.6 | 60% | 0.6 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.1 | -43.3 | 176.4 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | L389 Q390 Q396 Q397 | L389-V393 WeakPolarHBondContact O-CG2 3.48Å; L389-V393 PolarHBondContact O-N 3.39Å; Q390-V393 PolarHBondContact O-N 3.14Å; V393-Q396 PolarHBondContact O-N 3.21Å; V393-Q397 WeakPolarHBondContact O-CB 3.43Å; V393-Q397 PolarHBondContact O-N 3.01Å |
| 394 | V | 88.7 | Confident | 83 | Confident | 85 Ų | 85 | 108.7 Ų | 108.7 | 52% | 0.515 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 176.7 | 172.6 | 0 | 0 | 0 | 0 | 111.5 | Q390 Q396 Q397 Q398 | Q390-V394 WeakPolarHBondContact O-CG2 3.27Å; Q390-V394 PolarHBondContact O-N 3.42Å; V394-Q396 VanDerWaalsContact C-N 3.35Å; V394-Q396 PolarHBondContact O-N 2.78Å; V394-Q397 PolarHBondContact O-N 2.93Å; V394-Q398 PolarHBondContact O-N 2.79Å |
| 395 | I | 88 | Confident | 83.4 | Confident | 99 Ų | 99 | 103.6 Ų | 103.6 | 51% | 0.508 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 175 | -70.2 | 164.6 | 0 | 0 | 0 | 111 | K391 Q392 Q397 Q398 I399 | K391-I395 HydrophobicContact CG-CD1 4.43Å; K391-I395 WeakPolarHBondContact O-CB 3.37Å; K391-I395 WeakPolarHBondContact O-CD1 3.49Å; K391-I395 WeakPolarHBondContact O-CG1 3.4Å; K391-I395 PolarHBondContact O-N 3.11Å; Q392-I395 PolarHBondContact O-N 3.37Å; I395-Q397 VanDerWaalsContact C-N 3.33Å; I395-Q397 PolarHBondContact O-N 2.82Å; I395-Q398 PolarHBondContact O-N 2.82Å; I395-I399 HydrophobicContact CG2-CD1 3.89Å; I395-I399 VanDerWaalsContact O-CG1 3.31Å; I395-I399 WeakPolarHBondContact O-CG1 3.43Å; I395-I399 PolarHBondContact O-N 2.97Å; I395-I399 VanDerWaalsContact O-N 3.1Å |
| 396 | Q | 85.6 | Confident | 83.7 | Confident | 123 Ų | 123 | 101.4 Ų | 101.4 | 58% | 0.575 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62 | -41.5 | 177.3 | -159.8 | 81.4 | 90.7 | 0 | 0 | 111.7 | Q392 V393 V394 I399 A400 | Q392-Q396 WeakPolarHBondContact O-CB 3.32Å; Q392-Q396 PolarHBondContact O-N 2.86Å; V393-Q396 PolarHBondContact O-N 3.21Å; V394-Q396 VanDerWaalsContact C-N 3.35Å; V394-Q396 PolarHBondContact O-N 2.78Å; Q396-I399 PolarHBondContact O-N 2.99Å; Q396-A400 PolarHBondContact O-N 3.4Å; Q396-A400 VanDerWaalsContact O-N 3.13Å |
| 397 | Q | 87.6 | Confident | 83.9 | Confident | 118 Ų | 118 | 101.2 Ų | 101.2 | 55% | 0.551 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.1 | -43.6 | 176.8 | -169.5 | 70.4 | 83.9 | 0 | 0 | 111.9 | V393 V394 I395 I399 A400 I401 | V393-Q397 WeakPolarHBondContact O-CB 3.43Å; V393-Q397 PolarHBondContact O-N 3.01Å; V394-Q397 PolarHBondContact O-N 2.93Å; I395-Q397 VanDerWaalsContact C-N 3.33Å; I395-Q397 PolarHBondContact O-N 2.82Å; Q397-I399 PolarHBondContact O-N 2.68Å; Q397-A400 PolarHBondContact O-N 3.35Å; Q397-I401 HydrophobicContact CG-CD1 4.19Å; Q397-I401 WeakPolarHBondContact O-CG1 3.47Å; Q397-I401 PolarHBondContact O-N 2.94Å; Q397-I401 VanDerWaalsContact O-N 3.07Å |
| 398 | Q | 86.7 | Confident | 83.6 | Confident | 123 Ų | 123 | 102 Ų | 102 | 58% | 0.575 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.3 | -41.9 | 178.6 | -161 | 73.6 | 40.8 | 0 | 0 | 112 | V394 I395 I401 H402 | V394-Q398 PolarHBondContact O-N 2.79Å; I395-Q398 PolarHBondContact O-N 2.82Å; Q398-I401 PolarHBondContact O-N 3.46Å; Q398-H402 PolarHBondContact O-N 3.48Å |
| 399 | I | 87.3 | Confident | 83.8 | Confident | 97 Ų | 97 | 99.5 Ų | 99.5 | 50% | 0.497 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.4 | -41.7 | 176.6 | -66.9 | 164.7 | 0 | 0 | 0 | 110.8 | I395 Q396 Q397 H402 H403 | I395-I399 HydrophobicContact CG2-CD1 3.89Å; I395-I399 VanDerWaalsContact O-CG1 3.31Å; I395-I399 WeakPolarHBondContact O-CG1 3.43Å; I395-I399 PolarHBondContact O-N 2.97Å; I395-I399 VanDerWaalsContact O-N 3.1Å; Q396-I399 PolarHBondContact O-N 2.99Å; Q397-I399 PolarHBondContact O-N 2.68Å; I399-H402 PolarHBondContact O-N 3.49Å; I399-H403 WeakPolarHBondContact O-CB 3.24Å; I399-H403 PolarHBondContact O-N 2.98Å |
| 400 | A | 85.2 | Confident | 83.5 | Confident | 55 Ų | 55 | 102.1 Ų | 102.1 | 46% | 0.455 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.6 | -40.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q396 Q397 Q404 | Q396-A400 PolarHBondContact O-N 3.4Å; Q396-A400 VanDerWaalsContact O-N 3.13Å; Q397-A400 PolarHBondContact O-N 3.35Å; A400-Q404 WeakPolarHBondContact O-CB 3.4Å; A400-Q404 PolarHBondContact O-N 3.12Å; A400-Q404 VanDerWaalsContact O-N 3.1Å |
| 401 | I | 86.4 | Confident | 83.5 | Confident | 66 Ų | 66 | 101 Ų | 101 | 34% | 0.338 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.9 | -49.5 | 176.6 | -66.9 | 164.2 | 0 | 0 | 0 | 110.6 | Q397 Q398 H403 Q404 Q405 | Q397-I401 HydrophobicContact CG-CD1 4.19Å; Q397-I401 WeakPolarHBondContact O-CG1 3.47Å; Q397-I401 PolarHBondContact O-N 2.94Å; Q397-I401 VanDerWaalsContact O-N 3.07Å; Q398-I401 PolarHBondContact O-N 3.46Å; I401-H403 VanDerWaalsContact C-N 3.33Å; I401-H403 PolarHBondContact O-N 3.28Å; I401-Q404 PolarHBondContact O-N 3.41Å; I401-Q405 PolarHBondContact O-N 2.98Å; I401-Q405 VanDerWaalsContact O-N 3.07Å |
| 402 | H | 85.2 | Confident | 83.4 | Confident | 56 Ų | 56 | 98.3 Ų | 98.3 | 26% | 0.259 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.5 | -42.3 | -179.8 | 176.5 | -107.5 | 0 | 0 | 0 | 112.3 | Q186 Q398 I399 Q405 Q406 | Q186-H402 PolarHBondContact N-NE2 2.93Å; Q186-H402 VanDerWaalsContact N-NE2 3.11Å; Q398-H402 PolarHBondContact O-N 3.48Å; I399-H402 PolarHBondContact O-N 3.49Å; H402-Q405 PolarHBondContact O-N 3.41Å; H402-Q406 PolarHBondContact O-N 3.19Å |
| 403 | H | 83.4 | Confident | 83.6 | Confident | 125 Ų | 125 | 98.5 Ų | 98.5 | 58% | 0.579 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -68.5 | -34.5 | 177.7 | -169.6 | -157.5 | 0 | 0 | 0 | 113 | I399 I401 Q406 F407 | I399-H403 WeakPolarHBondContact O-CB 3.24Å; I399-H403 PolarHBondContact O-N 2.98Å; I401-H403 VanDerWaalsContact C-N 3.33Å; I401-H403 PolarHBondContact O-N 3.28Å; H403-Q406 PolarHBondContact O-N 2.68Å; H403-F407 PolarHBondContact O-N 3.27Å; H403-F407 VanDerWaalsContact O-N 3.14Å |
| 404 | Q | 87.1 | Confident | 83.4 | Confident | 143 Ų | 143 | 99.2 Ų | 99.2 | 67% | 0.668 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.4 | -43.3 | 174.3 | -175.6 | 177.8 | 99.1 | 0 | 0 | 111.7 | A400 I401 F407 Q408 | A400-Q404 WeakPolarHBondContact O-CB 3.4Å; A400-Q404 PolarHBondContact O-N 3.12Å; A400-Q404 VanDerWaalsContact O-N 3.1Å; I401-Q404 PolarHBondContact O-N 3.41Å; Q404-F407 PolarHBondContact O-N 3.25Å; Q404-Q408 PolarHBondContact O-N 2.62Å |
| 405 | Q | 85.5 | Confident | 82.9 | Confident | 30 Ų | 30 | 100.9 Ų | 100.9 | 14% | 0.14 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -64 | -42.3 | 174.7 | -65 | -158.9 | 54.4 | 0 | 0 | 111.3 | Q186 Q187 E188 I401 H402 F407 Q408 H409 | Q186-Q405 HydrophobicContact CB-CB 4.22Å; Q187-Q405 HydrophobicContact CB-CB 4.42Å; Q187-Q405 PolarHBondContact O-OE1 3Å; Q187-Q405 PolarHBondContact OE1-O 3Å; E188-Q405 PolarHBondContact OE2-NE2 3.39Å; I401-Q405 PolarHBondContact O-N 2.98Å; I401-Q405 VanDerWaalsContact O-N 3.07Å; H402-Q405 PolarHBondContact O-N 3.41Å; Q405-F407 PolarHBondContact O-N 3.38Å; Q405-Q408 PolarHBondContact O-N 2.94Å; Q405-Q408 VanDerWaalsContact O-N 3.08Å; Q405-H409 PolarHBondContact O-N 2.79Å |
| 406 | Q | 81.1 | Confident | 82.4 | Confident | 73 Ų | 73 | 102.3 Ų | 102.3 | 34% | 0.341 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -56.3 | -34.8 | 175 | -176.4 | 159.1 | 25.5 | 0 | 0 | 113.7 | Q186 H402 H403 R410 | Q186-Q406 HydrophobicContact CG-CB 4.34Å; Q186-Q406 VanDerWaalsContact OE1-CB 3.28Å; H402-Q406 PolarHBondContact O-N 3.19Å; H403-Q406 PolarHBondContact O-N 2.68Å; Q406-R410 WeakPolarHBondContact O-CB 3.32Å; Q406-R410 PolarHBondContact O-N 2.88Å |
| 407 | F | 81.8 | Confident | 82 | Confident | 139 Ų | 139 | 100.6 Ų | 100.6 | 61% | 0.61 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -69.8 | -46.7 | 173.8 | -162.7 | -88.5 | 0 | 0 | 0 | 112.3 | H403 Q404 Q405 H409 R410 Q411 | H403-F407 PolarHBondContact O-N 3.27Å; H403-F407 VanDerWaalsContact O-N 3.14Å; Q404-F407 PolarHBondContact O-N 3.25Å; Q405-F407 PolarHBondContact O-N 3.38Å; F407-H409 PolarHBondContact O-N 3.47Å; F407-R410 PolarHBondContact O-N 2.96Å; F407-Q411 PolarHBondContact O-N 2.74Å |
| 408 | Q | 73.9 | Confident | 81.8 | Confident | 110 Ų | 110 | 97.6 Ų | 97.6 | 51% | 0.514 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59 | -46.7 | 177.2 | -73.6 | -72.2 | -42 | 0 | 0 | 112.2 | Q404 Q405 R410 Q411 S412 | Q404-Q408 PolarHBondContact O-N 2.62Å; Q405-Q408 PolarHBondContact O-N 2.94Å; Q405-Q408 VanDerWaalsContact O-N 3.08Å; Q408-R410 PolarHBondContact O-N 2.87Å; Q408-Q411 PolarHBondContact O-N 2.84Å; Q408-S412 PolarHBondContact O-N 3.21Å |
| 409 | H | 78.5 | Confident | 81.4 | Confident | 77 Ų | 77 | 95.4 Ų | 95.4 | 36% | 0.356 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.5 | -45.4 | 178.5 | -163.1 | 81.5 | 0 | 0 | 0 | 112.1 | Q186 Q405 F407 Q411 S412 Q413 | Q186-H409 HydrophobicContact CG-CB 3.9Å; Q186-H409 PolarHBondContact NE2-CD2 2.91Å; Q405-H409 PolarHBondContact O-N 2.79Å; F407-H409 PolarHBondContact O-N 3.47Å; H409-Q411 PolarHBondContact O-N 3.19Å; H409-S412 PolarHBondContact O-N 3.39Å; H409-Q413 WeakPolarHBondContact O-CB 3.35Å; H409-Q413 PolarHBondContact O-N 2.96Å |
| 410 | R | 78.1 | Confident | 80.9 | Confident | 160 Ų | 160 | 97.8 Ų | 97.8 | 60% | 0.604 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.2 | -41.9 | 178.2 | -178.1 | 179.5 | -71.9 | -173.3 | -2.1 | 111.8 | Q406 F407 Q408 Q413 L414 | Q406-R410 WeakPolarHBondContact O-CB 3.32Å; Q406-R410 PolarHBondContact O-N 2.88Å; F407-R410 PolarHBondContact O-N 2.96Å; Q408-R410 PolarHBondContact O-N 2.87Å; R410-Q413 PolarHBondContact O-N 2.94Å; R410-L414 HydrophobicContact CG-CD1 4.22Å; R410-L414 WeakPolarHBondContact O-CG 3.43Å; R410-L414 PolarHBondContact O-N 3.37Å |
| 411 | Q | 81 | Confident | 80.4 | Confident | 113 Ų | 113 | 100.9 Ų | 100.9 | 53% | 0.528 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.4 | -42.1 | 178.6 | -166.3 | 175.6 | 19.1 | 0 | 0 | 111.6 | F407 Q408 H409 L414 L415 | F407-Q411 PolarHBondContact O-N 2.74Å; Q408-Q411 PolarHBondContact O-N 2.84Å; H409-Q411 PolarHBondContact O-N 3.19Å; Q411-L414 PolarHBondContact O-N 3.06Å; Q411-L415 PolarHBondContact O-N 3.41Å; Q411-L415 VanDerWaalsContact O-N 3.13Å |
| 412 | S | 76.5 | Confident | 80 | Confident | 58 Ų | 58 | 103.5 Ų | 103.5 | 41% | 0.406 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 174.5 | -175.9 | 0 | 0 | 0 | 0 | 112.3 | Q408 H409 L414 L415 H416 | Q408-S412 PolarHBondContact O-N 3.21Å; H409-S412 PolarHBondContact O-N 3.39Å; S412-L414 PolarHBondContact O-N 3.44Å; S412-L415 PolarHBondContact O-N 2.89Å; S412-H416 PolarHBondContact O-N 3.27Å; S412-H416 PolarHBondContact O-ND1 3.34Å; S412-H416 PolarHBondContact OG-CE1 3.41Å; S412-H416 PolarHBondContact OG-ND1 2.99Å |
| 413 | Q | 82.6 | Confident | 79.5 | Confident | 119 Ų | 119 | 106.1 Ų | 106.1 | 56% | 0.556 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.7 | -40 | 179.1 | -169.1 | 174.3 | 34.7 | 0 | 0 | 112.3 | H409 R410 T417 | H409-Q413 WeakPolarHBondContact O-CB 3.35Å; H409-Q413 PolarHBondContact O-N 2.96Å; R410-Q413 PolarHBondContact O-N 2.94Å; Q413-T417 WeakPolarHBondContact O-CB 3.42Å; Q413-T417 PolarHBondContact O-N 3.33Å; Q413-T417 PolarHBondContact O-OG1 3.39Å |
| 414 | L | 81.1 | Confident | 78.9 | Confident | 114 Ų | 114 | 102.5 Ų | 102.5 | 60% | 0.597 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.1 | -41.6 | 174.1 | -74.5 | 167.5 | 0 | 0 | 0 | 112 | R410 Q411 S412 T417 A418 | R410-L414 HydrophobicContact CG-CD1 4.22Å; R410-L414 WeakPolarHBondContact O-CG 3.43Å; R410-L414 PolarHBondContact O-N 3.37Å; Q411-L414 PolarHBondContact O-N 3.06Å; S412-L414 PolarHBondContact O-N 3.44Å; L414-T417 PolarHBondContact O-N 2.91Å; L414-A418 PolarHBondContact O-N 3.5Å |
| 415 | L | 77.8 | Confident | 78.1 | Confident | 121 Ų | 121 | 101.8 Ų | 101.8 | 63% | 0.634 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.8 | -45.5 | 178.7 | -165.4 | 69.5 | 0 | 0 | 0 | 111.8 | Q411 S412 T417 A418 T419 | Q411-L415 PolarHBondContact O-N 3.41Å; Q411-L415 VanDerWaalsContact O-N 3.13Å; S412-L415 PolarHBondContact O-N 2.89Å; L415-T417 VanDerWaalsContact C-N 3.32Å; L415-T417 PolarHBondContact O-N 3.29Å; L415-A418 PolarHBondContact O-N 3.24Å; L415-T419 PolarHBondContact O-N 3.02Å; L415-T419 PolarHBondContact O-OG1 3.39Å; L415-T419 VanDerWaalsContact O-OG1 3.05Å |
| 416 | H | 77.9 | Confident | 77.3 | Confident | 128 Ų | 128 | 106.6 Ų | 106.6 | 59% | 0.593 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.9 | -39.9 | 174.6 | -71.9 | 97.5 | 0 | 0 | 0 | 112.5 | S412 T419 H420 | S412-H416 PolarHBondContact O-N 3.27Å; S412-H416 PolarHBondContact O-ND1 3.34Å; S412-H416 PolarHBondContact OG-CE1 3.41Å; S412-H416 PolarHBondContact OG-ND1 2.99Å; H416-T419 PolarHBondContact O-N 3.46Å; H416-H420 WeakPolarHBondContact O-CB 3.4Å; H416-H420 PolarHBondContact O-N 3.46Å |
| 417 | T | 78.6 | Confident | 76.5 | Confident | 88 Ų | 88 | 110.4 Ų | 110.4 | 54% | 0.54 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.6 | -43.8 | 177 | -55.1 | 0 | 0 | 0 | 0 | 111.2 | Q413 L414 L415 H420 L421 | Q413-T417 WeakPolarHBondContact O-CB 3.42Å; Q413-T417 PolarHBondContact O-N 3.33Å; Q413-T417 PolarHBondContact O-OG1 3.39Å; L414-T417 PolarHBondContact O-N 2.91Å; L415-T417 VanDerWaalsContact C-N 3.32Å; L415-T417 PolarHBondContact O-N 3.29Å; T417-H420 PolarHBondContact O-N 3.42Å; T417-L421 WeakPolarHBondContact O-CB 3.49Å; T417-L421 PolarHBondContact O-N 2.8Å |
| 418 | A | 81.4 | Confident | 75.4 | Confident | 55 Ų | 55 | 111.8 Ų | 111.8 | 46% | 0.455 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.6 | -45.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | L414 L415 H420 L421 Q422 | L414-A418 PolarHBondContact O-N 3.5Å; L415-A418 PolarHBondContact O-N 3.24Å; A418-H420 PolarHBondContact O-N 3.08Å; A418-L421 PolarHBondContact O-N 3.45Å; A418-Q422 PolarHBondContact O-N 2.77Å |
| 419 | T | 78.9 | Confident | 74.6 | Confident | 77 Ų | 77 | 114.8 Ų | 114.8 | 47% | 0.472 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.5 | -43.5 | 177 | -55.3 | 0 | 0 | 0 | 0 | 112 | L415 H416 L421 Q422 L423 | L415-T419 PolarHBondContact O-N 3.02Å; L415-T419 PolarHBondContact O-OG1 3.39Å; L415-T419 VanDerWaalsContact O-OG1 3.05Å; H416-T419 PolarHBondContact O-N 3.46Å; T419-L421 VanDerWaalsContact C-N 3.34Å; T419-L421 PolarHBondContact O-N 2.97Å; T419-Q422 WeakPolarHBondContact O-CB 3.11Å; T419-Q422 PolarHBondContact O-N 3.07Å; T419-L423 HydrophobicContact CG2-CD1 4.13Å; T419-L423 WeakPolarHBondContact O-CD1 3.48Å; T419-L423 PolarHBondContact O-N 2.85Å; T419-L423 VanDerWaalsContact O-N 3.08Å |
| 420 | H | 76.5 | Confident | 73.6 | Confident | 146 Ų | 146 | 118 Ų | 118 | 68% | 0.676 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66.7 | -35.6 | 178.8 | -164.3 | -69.6 | 0 | 0 | 0 | 112.3 | H416 T417 A418 A424 | H416-H420 WeakPolarHBondContact O-CB 3.4Å; H416-H420 PolarHBondContact O-N 3.46Å; T417-H420 PolarHBondContact O-N 3.42Å; A418-H420 PolarHBondContact O-N 3.08Å; H420-A424 WeakPolarHBondContact O-CB 3.42Å; H420-A424 PolarHBondContact O-N 3.31Å |
| 421 | L | 75.8 | Confident | 72.6 | Confident | 120 Ų | 120 | 118.8 Ų | 118.8 | 63% | 0.628 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.3 | -38 | 174.3 | -172.2 | 61.5 | 0 | 0 | 0 | 111.7 | T417 A418 T419 A424 Q425 | T417-L421 WeakPolarHBondContact O-CB 3.49Å; T417-L421 PolarHBondContact O-N 2.8Å; A418-L421 PolarHBondContact O-N 3.45Å; T419-L421 VanDerWaalsContact C-N 3.34Å; T419-L421 PolarHBondContact O-N 2.97Å; L421-A424 PolarHBondContact O-N 3.28Å; L421-Q425 PolarHBondContact O-N 3.24Å |
| 422 | Q | 77.9 | Confident | 70.5 | Confident | 122 Ų | 122 | 118 Ų | 118 | 57% | 0.57 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -63.9 | -42.6 | 176 | -162.6 | 68 | 53.3 | 0 | 0 | 112.2 | A418 T419 Q425 Q426 | A418-Q422 PolarHBondContact O-N 2.77Å; T419-Q422 WeakPolarHBondContact O-CB 3.11Å; T419-Q422 PolarHBondContact O-N 3.07Å; Q422-Q425 PolarHBondContact O-N 2.96Å; Q422-Q426 PolarHBondContact O-N 2.71Å; Q422-Q426 VanDerWaalsContact O-N 3.1Å |
| 423 | L | 74.4 | Confident | 69.3 | Low | 110 Ų | 110 | 120.9 Ų | 120.9 | 58% | 0.576 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -66.1 | -41.8 | 175.1 | -92.9 | 75 | 0 | 0 | 0 | 112 | T419 Q425 Q426 Q427 | T419-L423 HydrophobicContact CG2-CD1 4.13Å; T419-L423 WeakPolarHBondContact O-CD1 3.48Å; T419-L423 PolarHBondContact O-N 2.85Å; T419-L423 VanDerWaalsContact O-N 3.08Å; L423-Q425 VanDerWaalsContact C-N 3.31Å; L423-Q425 PolarHBondContact O-N 3.35Å; L423-Q426 PolarHBondContact O-N 3.09Å; L423-Q427 PolarHBondContact O-N 3.04Å |
| 424 | A | 71.1 | Confident | 67.2 | Low | 49 Ų | 49 | 120.6 Ų | 120.6 | 41% | 0.405 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -60.3 | -41.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | H420 L421 Q427 Q428 | H420-A424 WeakPolarHBondContact O-CB 3.42Å; H420-A424 PolarHBondContact O-N 3.31Å; L421-A424 PolarHBondContact O-N 3.28Å; A424-Q427 PolarHBondContact O-N 3.03Å; A424-Q428 PolarHBondContact O-N 3.15Å |
| 425 | Q | 70.6 | Confident | 65 | Low | 128 Ų | 128 | 123.3 Ų | 123.3 | 60% | 0.598 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -66.3 | -40.3 | 176.7 | -169.9 | 170.4 | 93 | 0 | 0 | 112.4 | L421 Q422 L423 Q427 Q428 | L421-Q425 PolarHBondContact O-N 3.24Å; Q422-Q425 PolarHBondContact O-N 2.96Å; L423-Q425 VanDerWaalsContact C-N 3.31Å; L423-Q425 PolarHBondContact O-N 3.35Å; Q425-Q427 VanDerWaalsContact C-N 3.34Å; Q425-Q427 PolarHBondContact O-N 3Å; Q425-Q428 PolarHBondContact O-N 3.01Å |
| 426 | Q | 67.9 | Low | 63.1 | Low | 131 Ų | 131 | 124.7 Ų | 124.7 | 61% | 0.612 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -66.1 | -33.8 | 176.4 | -173.9 | -179.2 | 90.5 | 0 | 0 | 112.9 | Q422 L423 Q430 | Q422-Q426 PolarHBondContact O-N 2.71Å; Q422-Q426 VanDerWaalsContact O-N 3.1Å; L423-Q426 PolarHBondContact O-N 3.09Å; Q426-Q430 PolarHBondContact O-NE2 2.99Å |
| 427 | Q | 64.2 | Low | 61.2 | Low | 153 Ų | 153 | 127 Ų | 127 | 72% | 0.715 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -73.3 | -33.8 | -179.8 | -162.5 | 170.4 | 107.6 | 0 | 0 | 112.3 | L423 A424 Q425 Q429 Q430 | L423-Q427 PolarHBondContact O-N 3.04Å; A424-Q427 PolarHBondContact O-N 3.03Å; Q425-Q427 VanDerWaalsContact C-N 3.34Å; Q425-Q427 PolarHBondContact O-N 3Å; Q427-Q429 VanDerWaalsContact C-N 3.28Å; Q427-Q429 PolarHBondContact O-N 2.95Å; Q427-Q430 PolarHBondContact O-N 3.39Å |
| 428 | Q | 59.5 | Low | 59.2 | Low | 169 Ų | 169 | 131.3 Ų | 131.3 | 79% | 0.79 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -68.5 | -24.5 | 177.6 | -173.6 | 162.1 | 72.1 | 0 | 0 | 113.3 | A424 Q425 Q430 | A424-Q428 PolarHBondContact O-N 3.15Å; Q425-Q428 PolarHBondContact O-N 3.01Å; Q428-Q430 VanDerWaalsContact C-N 3.27Å; Q428-Q430 PolarHBondContact O-N 3.17Å |
| 429 | Q | 57.3 | Low | 56.9 | Low | 172 Ų | 172 | 136.5 Ų | 136.5 | 80% | 0.804 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -0.1 | -177.8 | -161.2 | 159.9 | 59.1 | 0 | 0 | 114.2 | Q427 | Q427-Q429 VanDerWaalsContact C-N 3.28Å; Q427-Q429 PolarHBondContact O-N 2.95Å |
| 430 | Q | 57.1 | Low | 54.8 | Low | 145 Ų | 145 | 142 Ų | 142 | 68% | 0.678 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.6 | 7.8 | -176.8 | -73.6 | 169.5 | 79.9 | 0 | 0 | 114.4 | Q426 Q427 Q428 | Q426-Q430 PolarHBondContact O-NE2 2.99Å; Q427-Q430 PolarHBondContact O-N 3.39Å; Q428-Q430 VanDerWaalsContact C-N 3.27Å; Q428-Q430 PolarHBondContact O-N 3.17Å |
| 431 | Q | 57.1 | Low | 52.7 | Low | 177 Ų | 177 | 144.6 Ų | 144.6 | 83% | 0.827 | 74% | 0.744 | S | S | * | * | trans | -128.8 | 72.4 | 179.5 | -71.2 | -168.3 | -14.3 | 0 | 0 | 113.5 | ||||
| 432 | A | 36.9 | Very low | 50.6 | Low | 96 Ų | 96 | 142.5 Ų | 142.5 | 79% | 0.793 | 75% | 0.752 | S | S | * | * | trans | -157.8 | 123.1 | 161.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 433 | P | 50.5 | Low | 48.4 | Very low | 118 Ų | 118 | 145.6 Ų | 145.6 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | trans | -132.9 | 132.8 | 150.8 | 35.4 | -22.4 | 0 | 0 | 0 | 114.1 | ||||
| 434 | S | 39.4 | Very low | 46.7 | Very low | 113 Ų | 113 | 145.9 Ų | 145.9 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | 44.7 | 107.3 | 146.4 | 61.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 435 | L | 34 | Very low | 45.5 | Very low | 172 Ų | 172 | 148.8 Ų | 148.8 | 90% | 0.901 | 79% | 0.79 | S | S | * | * | trans | -162.5 | 82.7 | 146.1 | -122.4 | 171.3 | 0 | 0 | 0 | 114.5 | ||||
| 436 | T | 37.7 | Very low | 43.6 | Very low | 149 Ų | 149 | 150.8 Ų | 150.8 | 91% | 0.914 | 80% | 0.799 | S | S | * | * | trans | -157.1 | 93.9 | 160 | 26.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 437 | Q | 38.9 | Very low | 42 | Very low | 177 Ų | 177 | 151 Ų | 151 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | trans | -150.8 | 99 | 163.1 | -174.4 | -160.2 | 106.5 | 0 | 0 | 109.8 | ||||
| 438 | Q | 35.6 | Very low | 40.5 | Very low | 179 Ų | 179 | 151.9 Ų | 151.9 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | trans | -179.8 | 165.3 | 141.1 | -106 | 179.7 | 29.8 | 0 | 0 | 112 | ||||
| 439 | Q | 34.5 | Very low | 39 | Very low | 164 Ų | 164 | 147.6 Ų | 147.6 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | trans | 73.3 | 74.2 | 156.1 | -158.1 | 173 | 100.8 | 0 | 0 | 118.7 | ||||
| 440 | Q | 34.1 | Very low | 37.6 | Very low | 191 Ų | 191 | 144.4 Ų | 144.4 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | -158.8 | 147 | 102.7 | -108.3 | 154 | 88.5 | 0 | 0 | 112.7 | |||||
| 441 | Q | 33 | Very low | 36.2 | Very low | 201 Ų | 201 | 142.7 Ų | 142.7 | 94% | 0.939 | 80% | 0.798 | S | S | * | * | trans | -145.9 | 122.6 | -177.8 | -174 | 178.4 | 13.5 | 0 | 0 | 107.9 | ||||
| 442 | G | 31 | Very low | 35 | Very low | 76 Ų | 76 | 143.2 Ų | 143.2 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | trans | -177.5 | 114.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 443 | Q | 30.7 | Very low | 34.8 | Very low | 187 Ų | 187 | 145.6 Ų | 145.6 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | -140.8 | 170.4 | -177.2 | -97.3 | -170.5 | -23.8 | 0 | 0 | 107.2 | ||||
| 444 | P | 40.2 | Very low | 34 | Very low | 117 Ų | 117 | 148.6 Ų | 148.6 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | cis | -137.6 | -146 | 27.6 | 49.6 | -29 | 0 | 0 | 0 | 112.6 | ||||
| 445 | P | 45.1 | Very low | 33.9 | Very low | 110 Ų | 110 | 151.5 Ų | 151.5 | 71% | 0.714 | 81% | 0.805 | S | S | * | * | -138.2 | 167.4 | -123.8 | 37.3 | -14.1 | 0 | 0 | 0 | 118.6 | |||||
| 446 | Q | 31.1 | Very low | 33.8 | Very low | 169 Ų | 169 | 152 Ų | 152 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | trans | -164.7 | 128.4 | 135.9 | -117.7 | 177.9 | -53.5 | 0 | 0 | 116.4 | ||||
| 447 | Q | 33.7 | Very low | 33.4 | Very low | 136 Ų | 136 | 149.1 Ų | 149.1 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | trans | 39.6 | 121.5 | 142.6 | -71.5 | 170.8 | -44.9 | 0 | 0 | 124.5 | ||||
| 448 | Q | 32.6 | Very low | 33 | Very low | 171 Ų | 171 | 149.5 Ų | 149.5 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | trans | 67.9 | 141.6 | 130.2 | -68.6 | 169.8 | -99.4 | 0 | 0 | 120.4 | ||||
| 449 | A | 28.3 | Very low | 33.1 | Very low | 79 Ų | 79 | 147.2 Ų | 147.2 | 65% | 0.653 | 80% | 0.795 | S | S | * | * | cis | -162.5 | 167.2 | -8.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 450 | S | 28.1 | Very low | 33 | Very low | 105 Ų | 105 | 147 Ų | 147 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | trans | 60.5 | 109.2 | 151.1 | 54.2 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 451 | S | 28.3 | Very low | 32.9 | Very low | 109 Ų | 109 | 144.2 Ų | 144.2 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | 79.7 | 111.9 | 121.5 | -55.1 | 0 | 0 | 0 | 0 | 123 | |||||
| 452 | Q | 32.1 | Very low | 33 | Very low | 188 Ų | 188 | 140.8 Ų | 140.8 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | trans | 58.1 | 148.3 | 142.7 | -67.2 | -175.2 | -11.1 | 0 | 0 | 119.4 | ||||
| 453 | N | 31.3 | Very low | 32.9 | Very low | 146 Ų | 146 | 145.4 Ų | 145.4 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | cis | -143.2 | 158.5 | 3.3 | -160.7 | -33.2 | 0 | 0 | 0 | 108.9 | ||||
| 454 | Q | 34.5 | Very low | 33.8 | Very low | 182 Ų | 182 | 142 Ų | 142 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | trans | -139.4 | 133.1 | -178.9 | -165.8 | -178.6 | 109.1 | 0 | 0 | 111.5 | ||||
| 455 | Q | 37.9 | Very low | 33.2 | Very low | 174 Ų | 174 | 143.4 Ų | 143.4 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | trans | -101.8 | 124.8 | 172.2 | -66.4 | -178.6 | -5.2 | 0 | 0 | 110.3 | ||||
| 456 | Q | 31.6 | Very low | 32.7 | Very low | 181 Ų | 181 | 146.1 Ų | 146.1 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | 166.1 | 138.5 | 119.5 | -90.2 | -177 | 9.6 | 0 | 0 | 113.8 | |||||
| 457 | A | 30.1 | Very low | 32.7 | Very low | 90 Ų | 90 | 146 Ų | 146 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | trans | 71.7 | 149.3 | 144.9 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 458 | Q | 30.2 | Very low | 32.6 | Very low | 184 Ų | 184 | 144.4 Ų | 144.4 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | 79.4 | 96.4 | 158.9 | -50.6 | -152.8 | 79.1 | 0 | 0 | 120.8 | ||||
| 459 | T | 36.3 | Very low | 32.2 | Very low | 132 Ų | 132 | 144.1 Ų | 144.1 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | 20.2 | 125.3 | 126.9 | -46.2 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 460 | L | 32.1 | Very low | 33.3 | Very low | 160 Ų | 160 | 145.6 Ų | 145.6 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | trans | -139.9 | 156.1 | 155.7 | -148.2 | 89.4 | 0 | 0 | 0 | 111.7 | V462 | L460-V462 HydrophobicContact CD2-CG2 4.36Š| ||
| 461 | V | 34 | Very low | 33.3 | Very low | 131 Ų | 131 | 148.3 Ų | 148.3 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | -112.2 | 134.3 | 179.2 | -179.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 462 | V | 33.4 | Very low | 34.2 | Very low | 129 Ų | 129 | 148.4 Ų | 148.4 | 78% | 0.782 | 79% | 0.791 | S | S | * | * | trans | -142.9 | 136.8 | 171.9 | -178.3 | 0 | 0 | 0 | 0 | 111.5 | L460 | L460-V462 HydrophobicContact CD2-CG2 4.36Š| ||
| 463 | Q | 29.6 | Very low | 34 | Very low | 173 Ų | 173 | 145.1 Ų | 145.1 | 81% | 0.808 | 78% | 0.783 | S | S | * | * | trans | -163.4 | 150.5 | 168.9 | -180 | 171.9 | 100.3 | 0 | 0 | 107.8 | ||||
| 464 | P | 49.4 | Very low | 33.8 | Very low | 115 Ų | 115 | 145.9 Ų | 145.9 | 75% | 0.747 | 78% | 0.782 | S | S | * | * | cis | -111.6 | -162.9 | -22.3 | 39.3 | -25.7 | 0 | 0 | 0 | 111.2 | ||||
| 465 | M | 28 | Very low | 33.5 | Very low | 147 Ų | 147 | 142.8 Ų | 142.8 | 72% | 0.724 | 77% | 0.771 | S | S | * | * | trans | -142.5 | 139.1 | 162.7 | -157.4 | -76.2 | -73.3 | 0 | 0 | 109.8 | ||||
| 466 | L | 34.1 | Very low | 32.9 | Very low | 167 Ų | 167 | 140.8 Ų | 140.8 | 87% | 0.874 | 76% | 0.761 | S | S | * | * | trans | -144.7 | 143.1 | -179.7 | -124.4 | 165.4 | 0 | 0 | 0 | 109.5 | ||||
| 467 | Q | 32 | Very low | 32.8 | Very low | 168 Ų | 168 | 139.7 Ų | 139.7 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | trans | -111.5 | 170.8 | -161.2 | -153.4 | 161.3 | 63 | 0 | 0 | 113 | ||||
| 468 | S | 31.8 | Very low | 32.5 | Very low | 101 Ų | 101 | 142.1 Ų | 142.1 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | trans | -137.8 | 153.2 | -143.3 | 58.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 469 | Q | 23.7 | Very low | 32.1 | Very low | 166 Ų | 166 | 138 Ų | 138 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | trans | 71.3 | 165.6 | 155.6 | -72.8 | -87.1 | 59 | 0 | 0 | 117.7 | ||||
| 470 | P | 50.1 | Low | 32.7 | Very low | 110 Ų | 110 | 137 Ų | 137 | 71% | 0.714 | 74% | 0.744 | S | S | * | * | cis | -126 | -163.3 | 7.9 | 48.4 | -33.1 | 0 | 0 | 0 | 113.7 | ||||
| 471 | Q | 29.1 | Very low | 32.2 | Very low | 161 Ų | 161 | 134.4 Ų | 134.4 | 75% | 0.752 | 74% | 0.738 | S | S | * | * | cis | -142.7 | -69.4 | 1.5 | -163.6 | -179.8 | -5.7 | 0 | 0 | 117.6 | ||||
| 472 | P | 47.5 | Very low | 31.8 | Very low | 111 Ų | 111 | 136.4 Ų | 136.4 | 72% | 0.721 | 74% | 0.739 | S | S | * | * | trans | -127.4 | 161.2 | -146.8 | 32.2 | -11.3 | 0 | 0 | 0 | 117.3 | ||||
| 473 | V | 27.6 | Very low | 32.3 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | cis | 154 | 134.2 | -18.6 | 145.3 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 474 | Q | 26.4 | Very low | 32.1 | Very low | 161 Ų | 161 | 130.7 Ų | 130.7 | 75% | 0.752 | 73% | 0.726 | S | S | * | * | trans | 164.1 | 125.9 | 151.4 | -83.1 | -82.1 | -40.7 | 0 | 0 | 106.1 | ||||
| 475 | L | 27.6 | Very low | 31 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 62% | 0.618 | 73% | 0.725 | S | S | * | * | 73.2 | 138.4 | 62.5 | -68.9 | 161.2 | 0 | 0 | 0 | 111.5 | |||||
| 476 | Q | 27.3 | Very low | 31.1 | Very low | 131 Ų | 131 | 133.2 Ų | 133.2 | 61% | 0.612 | 73% | 0.731 | S | S | * | * | cis | -167.5 | 164 | 14.4 | 177.4 | 60.4 | 60.4 | 0 | 0 | 111 | ||||
| 477 | Q | 27.5 | Very low | 30.8 | Very low | 159 Ų | 159 | 130.9 Ų | 130.9 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | trans | 64.6 | 162.7 | 156.7 | -90.3 | 149.4 | 9.6 | 0 | 0 | 119 | ||||
| 478 | D | 24.3 | Very low | 31.3 | Very low | 140 Ų | 140 | 128.4 Ų | 128.4 | 75% | 0.749 | 73% | 0.727 | S | S | * | * | cis | -156.3 | -170.5 | -30.6 | -141.6 | -85.1 | 0 | 0 | 0 | 111.2 | ||||
| 479 | S | 23.1 | Very low | 31.3 | Very low | 99 Ų | 99 | 130.5 Ų | 130.5 | 69% | 0.692 | 74% | 0.735 | S | S | * | * | trans | -105.9 | -175.2 | 170.5 | -86.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 480 | P | 48.5 | Very low | 32.4 | Very low | 109 Ų | 109 | 127.7 Ų | 127.7 | 71% | 0.708 | 73% | 0.731 | S | S | * | * | cis | -131.7 | -170.7 | -37 | 33.9 | -15.2 | 0 | 0 | 0 | 113.4 | ||||
| 481 | C | 22.2 | Very low | 31.5 | Very low | 107 Ų | 107 | 129.7 Ų | 129.7 | 72% | 0.723 | 74% | 0.735 | S | S | * | * | trans | 75.4 | 110.3 | 148.5 | -76.6 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 482 | Q | 25.1 | Very low | 31.4 | Very low | 172 Ų | 172 | 130.6 Ų | 130.6 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | 67.5 | 167 | 127.6 | -58.4 | -76.4 | 21.7 | 0 | 0 | 119 | |||||
| 483 | P | 43.6 | Very low | 30.8 | Very low | 108 Ų | 108 | 129 Ų | 129 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | cis | -133.4 | -173.8 | -45.3 | 38.2 | -22.3 | 0 | 0 | 0 | 113.8 | ||||
| 484 | A | 25.5 | Very low | 31 | Very low | 74 Ų | 74 | 132.5 Ų | 132.5 | 61% | 0.612 | 74% | 0.736 | S | S | * | * | trans | 82.3 | 105.2 | 139 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 485 | T | 26.1 | Very low | 31.2 | Very low | 119 Ų | 119 | 129.8 Ų | 129.8 | 73% | 0.73 | 74% | 0.735 | S | S | * | * | 88.4 | 150.3 | 123.2 | 67.3 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 486 | K | 29.2 | Very low | 31.4 | Very low | 197 Ų | 197 | 131.7 Ų | 131.7 | 86% | 0.857 | 75% | 0.745 | S | S | * | * | trans | 96.4 | 137.9 | 153 | -48.1 | 179.4 | -163 | 169.8 | 0 | 120.1 | ||||
| 487 | S | 29 | Very low | 31.6 | Very low | 117 Ų | 117 | 131.6 Ų | 131.6 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | -84.7 | 178.4 | 170.6 | -136.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 488 | P | 42 | Very low | 31.7 | Very low | 116 Ų | 116 | 130 Ų | 130 | 75% | 0.753 | 75% | 0.754 | S | S | * | * | cis | -137.7 | -179.6 | 14.5 | 40.5 | -19.6 | 0 | 0 | 0 | 117.3 | ||||
| 489 | V | 32.3 | Very low | 32.8 | Very low | 145 Ų | 145 | 128.5 Ų | 128.5 | 88% | 0.879 | 75% | 0.752 | S | S | * | * | trans | -146.4 | 140.9 | -176.6 | -174.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 490 | P | 46.7 | Very low | 33.1 | Very low | 107 Ų | 107 | 131.6 Ų | 131.6 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | trans | -139.4 | 131.6 | -175.1 | 39.4 | -19.9 | 0 | 0 | 0 | 120.6 | ||||
| 491 | I | 30.7 | Very low | 32.2 | Very low | 153 Ų | 153 | 135.6 Ų | 135.6 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | 72.7 | 146.2 | 127.5 | -68.7 | 173.8 | 0 | 0 | 0 | 123.8 | |||||
| 492 | Q | 27.3 | Very low | 33.7 | Very low | 179 Ų | 179 | 135.9 Ų | 135.9 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | trans | 80.9 | 160.2 | 164.7 | -83.4 | 178.4 | 36.6 | 0 | 0 | 121.6 | ||||
| 493 | S | 34 | Very low | 35 | Very low | 78 Ų | 78 | 133 Ų | 133 | 55% | 0.545 | 76% | 0.762 | S | S | . | * | -174.5 | 142.7 | -55.2 | 61.6 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 494 | K | 33.2 | Very low | 34.4 | Very low | 193 Ų | 193 | 135.9 Ų | 135.9 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | trans | 72.1 | 139.3 | 144.9 | -66.6 | 161.2 | -177.8 | 176.5 | 0 | 124.9 | ||||
| 495 | S | 29.1 | Very low | 34.7 | Very low | 104 Ų | 104 | 139.6 Ų | 139.6 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | 95.1 | 111.7 | 132.8 | -79.2 | 0 | 0 | 0 | 0 | 127.1 | ||||
| 496 | L | 31.9 | Very low | 34.6 | Very low | 159 Ų | 159 | 137.4 Ų | 137.4 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | 72.2 | 143.8 | 114.6 | -89.4 | 164 | 0 | 0 | 0 | 127.3 | |||||
| 497 | V | 32 | Very low | 35.6 | Very low | 129 Ų | 129 | 134.1 Ų | 134.1 | 78% | 0.782 | 78% | 0.775 | S | S | * | * | trans | 89.6 | 146 | 153.6 | 174.1 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 498 | T | 29.1 | Very low | 35.6 | Very low | 126 Ų | 126 | 133 Ų | 133 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | -154.9 | -165.1 | 179.7 | 60.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 499 | P | 48.2 | Very low | 34.9 | Very low | 107 Ų | 107 | 137.7 Ų | 137.7 | 70% | 0.695 | 78% | 0.781 | S | S | * | * | cis | -139.9 | -135.9 | -3.2 | 37.3 | -10.8 | 0 | 0 | 0 | 114.4 | ||||
| 500 | I | 30.1 | Very low | 34.9 | Very low | 165 Ų | 165 | 139.7 Ų | 139.7 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | 84.6 | 142.6 | 169.2 | -60.4 | 165.8 | 0 | 0 | 0 | 117.9 | ||||
| 501 | K | 28.9 | Very low | 33.9 | Very low | 193 Ų | 193 | 140.4 Ų | 140.4 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | trans | -160.2 | 150.4 | -178.9 | -176 | 174.6 | 177.1 | 179.7 | 0 | 114.9 | ||||
| 502 | P | 53 | Low | 33.8 | Very low | 113 Ų | 113 | 137.7 Ų | 137.7 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | trans | -124.2 | -142.8 | -177.7 | 39.6 | -18.1 | 0 | 0 | 0 | 115.5 | ||||
| 503 | P | 53.7 | Low | 33.8 | Very low | 112 Ų | 112 | 133.2 Ų | 133.2 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | -138.8 | 156.2 | -108.2 | 43.5 | -23.4 | 0 | 0 | 0 | 121.5 | |||||
| 504 | Q | 31.3 | Very low | 33.5 | Very low | 168 Ų | 168 | 138 Ų | 138 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | 52.7 | 144.1 | 140.1 | -81 | -72.5 | 40.5 | 0 | 0 | 128.7 | ||||
| 505 | L | 30.3 | Very low | 33.2 | Very low | 151 Ų | 151 | 136.8 Ų | 136.8 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | 84.8 | 99 | 145.9 | -75.8 | 164.8 | 0 | 0 | 0 | 126.3 | ||||
| 506 | G | 25.6 | Very low | 33.8 | Very low | 73 Ų | 73 | 136.9 Ų | 136.9 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | trans | 62.4 | 176.8 | 133.2 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 507 | P | 48.8 | Very low | 34.2 | Very low | 128 Ų | 128 | 134.7 Ų | 134.7 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | cis | -141.6 | 175.2 | -23.5 | 43.3 | -25.8 | 0 | 0 | 0 | 117.4 | ||||
| 508 | A | 28.8 | Very low | 35.1 | Very low | 95 Ų | 95 | 133.5 Ų | 133.5 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | 61.3 | 109.7 | 145.2 | 0 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 509 | K | 28.4 | Very low | 35.1 | Very low | 213 Ų | 213 | 135.2 Ų | 135.2 | 93% | 0.926 | 78% | 0.783 | S | S | * | * | 54 | 119.9 | 119.6 | -162.7 | 178.4 | -175.6 | -179.7 | 0 | 122.6 | |||||
| 510 | M | 30.9 | Very low | 34.2 | Very low | 188 Ų | 188 | 136.3 Ų | 136.3 | 93% | 0.926 | 78% | 0.782 | S | S | * | * | trans | -143.3 | 175.4 | 160.9 | 63 | 172.8 | 66.6 | 0 | 0 | 112.1 | ||||
| 511 | S | 26.3 | Very low | 34.7 | Very low | 122 Ų | 122 | 134.2 Ų | 134.2 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | trans | -167.2 | 178 | 179.9 | -163.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 512 | A | 27.9 | Very low | 34.7 | Very low | 96 Ų | 96 | 130.8 Ų | 130.8 | 79% | 0.793 | 77% | 0.774 | S | S | * | * | trans | 69.6 | 160.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 513 | A | 28.7 | Very low | 33.7 | Very low | 85 Ų | 85 | 133 Ų | 133 | 70% | 0.702 | 78% | 0.775 | S | S | * | * | cis | -172.2 | 163.8 | -34.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 514 | Q | 26.7 | Very low | 32.6 | Very low | 177 Ų | 177 | 133.2 Ų | 133.2 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | trans | 71.5 | 153.2 | 171.5 | -65.2 | -177.3 | 86.8 | 0 | 0 | 116.8 | ||||
| 515 | Q | 27.8 | Very low | 32.7 | Very low | 168 Ų | 168 | 129.6 Ų | 129.6 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | cis | -144.9 | 174.8 | 2.5 | -123.4 | -174.4 | 16 | 0 | 0 | 111.1 | ||||
| 516 | P | 41.1 | Very low | 33 | Very low | 107 Ų | 107 | 123.6 Ų | 123.6 | 70% | 0.695 | 74% | 0.738 | S | S | * | * | trans | -113.5 | -151.5 | -171.8 | 47 | -37.9 | 0 | 0 | 0 | 112.7 | ||||
| 517 | P | 41.3 | Very low | 33.4 | Very low | 113 Ų | 113 | 125 Ų | 125 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | cis | -126.7 | -137.8 | -21.3 | 43.8 | -24.6 | 0 | 0 | 0 | 110.4 | ||||
| 518 | P | 49.6 | Very low | 32.6 | Very low | 104 Ų | 104 | 124.8 Ų | 124.8 | 68% | 0.675 | 71% | 0.714 | S | S | * | * | cis | -131.1 | -175.7 | -33.5 | 40.6 | -24 | 0 | 0 | 0 | 115.4 | ||||
| 519 | H | 29.3 | Very low | 32.8 | Very low | 162 Ų | 162 | 127.4 Ų | 127.4 | 75% | 0.75 | 71% | 0.71 | S | S | * | * | trans | 68.4 | 139.1 | 158.1 | -102.1 | -103.7 | 0 | 0 | 0 | 120.1 | ||||
| 520 | I | 29.1 | Very low | 32.9 | Very low | 129 Ų | 129 | 124.4 Ų | 124.4 | 66% | 0.662 | 70% | 0.7 | S | S | * | * | cis | 90.7 | 107.9 | 18.5 | -57.7 | 177 | 0 | 0 | 0 | 116.9 | ||||
| 521 | P | 40.7 | Very low | 32.9 | Very low | 122 Ų | 122 | 118.2 Ų | 118.2 | 79% | 0.792 | 68% | 0.684 | S | S | * | * | trans | -105.5 | -161.1 | 149 | 37.6 | -30.2 | 0 | 0 | 0 | 113.1 | ||||
| 522 | V | 29.2 | Very low | 33.2 | Very low | 121 Ų | 121 | 118.6 Ų | 118.6 | 73% | 0.733 | 69% | 0.686 | S | S | * | * | trans | -147.3 | 149.6 | -153 | 157.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 523 | Q | 31.8 | Very low | 33.2 | Very low | 159 Ų | 159 | 117.3 Ų | 117.3 | 74% | 0.743 | 68% | 0.682 | S | S | * | * | cis | -167.2 | 178.1 | -14.7 | -102.8 | 175.3 | 11.5 | 0 | 0 | 109.4 | ||||
| 524 | V | 31.8 | Very low | 33.1 | Very low | 116 Ų | 116 | 123 Ų | 123 | 70% | 0.703 | 69% | 0.694 | S | S | * | * | trans | -107.3 | 138 | 156.5 | 177.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 525 | V | 32.5 | Very low | 33.1 | Very low | 92 Ų | 92 | 118.9 Ų | 118.9 | 56% | 0.558 | 69% | 0.691 | S | S | * | * | trans | -140.9 | 115.8 | 169.1 | 179.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 526 | G | 37.3 | Very low | 33.2 | Very low | 26 Ų | 26 | 120.3 Ų | 120.3 | 27% | 0.268 | 70% | 0.698 | S | S | . | * | trans | -96.5 | -175.4 | 157.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S118 V119 S120 | S118-G526 CarbonylContact C-O 3.59Å; S118-G526 VanDerWaalsContact CA-O 3.27Å; S118-G526 WeakPolarHBondContact CA-O 3.47Å; V119-G526 VanDerWaalsContact CA-O 3.25Å; V119-G526 WeakPolarHBondContact CA-O 3.3Å; V119-G526 CarbonylContact O-C 3.4Å; V119-G526 WeakPolarHBondContact O-CA 3.21Å; V119-G526 PolarHBondContact O-N 2.93Å; S120-G526 PolarHBondContact OG-N 3.2Å | ||
| 527 | T | 33.3 | Very low | 32.5 | Very low | 102 Ų | 102 | 120.1 Ų | 120.1 | 63% | 0.626 | 71% | 0.705 | S | S | * | * | trans | -140.7 | 102.7 | -165.3 | 52.7 | 0 | 0 | 0 | 0 | 118.6 | Q117 S118 | Q117-T527 WeakPolarHBondContact O-CA 3.44Å; Q117-T527 WeakPolarHBondContact O-CB 3.26Å; Q117-T527 VanDerWaalsContact O-CG2 3.27Å; Q117-T527 WeakPolarHBondContact O-CG2 3.15Å; S118-T527 VanDerWaalsContact N-CA 3.34Å | ||
| 528 | R | 31.6 | Very low | 31.9 | Very low | 123 Ų | 123 | 123.6 Ų | 123.6 | 46% | 0.464 | 72% | 0.717 | S | S | . | * | trans | 60.7 | 139.9 | 157.3 | -99.8 | 179.8 | 157.9 | -88.1 | 5.2 | 119 | Q117 S118 Q530 | Q117-R528 HydrophobicContact CB-CG 4.3Å; S118-R528 WeakPolarHBondContact O-CA 3.43Å; S118-R528 PolarHBondContact O-N 3.31Å; R528-Q530 VanDerWaalsContact CZ-OE1 3.29Å | ||
| 529 | Q | 32.8 | Very low | 30.8 | Very low | 150 Ų | 150 | 122.4 Ų | 122.4 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | cis | 93.1 | 108.8 | 6.1 | -155.6 | -148.9 | 93 | 0 | 0 | 119.2 | ||||
| 530 | Q | 31.3 | Very low | 30.7 | Very low | 151 Ų | 151 | 123.1 Ų | 123.1 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | trans | 160.5 | 148.5 | 138.1 | -91.6 | -175.8 | -85.1 | 0 | 0 | 109.2 | R528 | R528-Q530 VanDerWaalsContact CZ-OE1 3.29Š| ||
| 531 | G | 30.7 | Very low | 30.6 | Very low | 57 Ų | 57 | 121.2 Ų | 121.2 | 59% | 0.588 | 74% | 0.735 | S | S | * | * | cis | 142.6 | 96.2 | -14.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 532 | S | 32.9 | Very low | 30 | Very low | 130 Ų | 130 | 123.1 Ų | 123.1 | 91% | 0.909 | 73% | 0.734 | S | S | * | * | trans | 45.5 | 143.9 | 160 | 55.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 533 | G | 26.8 | Very low | 30 | Very low | 69 Ų | 69 | 124.7 Ų | 124.7 | 71% | 0.711 | 74% | 0.736 | S | S | * | * | cis | 133.4 | 140.6 | 4.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 534 | Q | 27.5 | Very low | 29.8 | Very low | 204 Ų | 204 | 121.1 Ų | 121.1 | 95% | 0.953 | 73% | 0.734 | S | S | * | * | trans | -151.8 | 165.2 | 167 | -92.2 | -136.1 | -7.1 | 0 | 0 | 111.7 | ||||
| 535 | A | 27.1 | Very low | 29.6 | Very low | 92 Ų | 92 | 120.5 Ų | 120.5 | 76% | 0.76 | 74% | 0.741 | S | S | * | * | trans | -124.7 | -178.1 | -171 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 536 | Q | 29.6 | Very low | 29.4 | Very low | 197 Ų | 197 | 120.9 Ų | 120.9 | 92% | 0.921 | 75% | 0.754 | S | S | * | * | trans | -72.3 | 149 | -172.7 | -58 | 153.7 | -87.4 | 0 | 0 | 113.6 | ||||
| 537 | A | 26.7 | Very low | 29 | Very low | 103 Ų | 103 | 126.2 Ų | 126.2 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | trans | -144.4 | 155.6 | 158.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 538 | L | 28.2 | Very low | 29.8 | Very low | 187 Ų | 187 | 125.8 Ų | 125.8 | 98% | 0.979 | 78% | 0.78 | S | S | * | * | trans | -82.1 | 153.1 | -169.3 | -63.3 | 138.6 | 0 | 0 | 0 | 113.2 | ||||
| 539 | G | 25.7 | Very low | 29.7 | Very low | 79 Ų | 79 | 126.1 Ų | 126.1 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | trans | -169.8 | 134.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 540 | L | 27 | Very low | 29.6 | Very low | 176 Ų | 176 | 123.5 Ų | 123.5 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | trans | -88.6 | 163.2 | -169.7 | -72.1 | 157.1 | 0 | 0 | 0 | 114.5 | ||||
| 541 | A | 27.8 | Very low | 29.4 | Very low | 89 Ų | 89 | 128.1 Ų | 128.1 | 74% | 0.736 | 81% | 0.805 | S | S | * | * | trans | 71.4 | 156.1 | 151.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 542 | Q | 28.8 | Very low | 29.2 | Very low | 163 Ų | 163 | 128.6 Ų | 128.6 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | cis | -167.9 | 156.8 | -21 | -116.4 | -177.9 | 0.4 | 0 | 0 | 109.3 | ||||
| 543 | I | 28.7 | Very low | 29.1 | Very low | 153 Ų | 153 | 131 Ų | 131 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | 66.2 | 150.8 | 153.8 | -62.9 | 161.7 | 0 | 0 | 0 | 116.7 | ||||
| 544 | A | 27.1 | Very low | 30 | Very low | 84 Ų | 84 | 133.3 Ų | 133.3 | 69% | 0.694 | 81% | 0.811 | S | S | * | * | cis | -168.2 | 166 | -37.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 545 | A | 27.1 | Very low | 30.1 | Very low | 104 Ų | 104 | 127.7 Ų | 127.7 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | 65.7 | 162.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 546 | A | 29.3 | Very low | 30.1 | Very low | 100 Ų | 100 | 129.9 Ų | 129.9 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | cis | -137.4 | 175.2 | 4.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 547 | V | 29.2 | Very low | 30.1 | Very low | 137 Ų | 137 | 126.9 Ų | 126.9 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | trans | -133.5 | 176.3 | -174.6 | 89.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 548 | P | 50.5 | Low | 30.3 | Very low | 94 Ų | 94 | 130 Ų | 130 | 61% | 0.61 | 80% | 0.796 | S | S | * | * | cis | -137.1 | -172.8 | -14.9 | 33.4 | -11.2 | 0 | 0 | 0 | 115.4 | ||||
| 549 | T | 28.9 | Very low | 31.3 | Very low | 130 Ų | 130 | 126 Ų | 126 | 80% | 0.798 | 78% | 0.781 | S | S | * | * | trans | 68 | 169.9 | 148.2 | 28.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 550 | S | 29.8 | Very low | 31.4 | Very low | 95 Ų | 95 | 128.7 Ų | 128.7 | 66% | 0.664 | 78% | 0.781 | S | S | * | * | cis | -165.2 | 155.4 | -8.1 | 41.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 551 | R | 28 | Very low | 31.7 | Very low | 247 Ų | 247 | 125 Ų | 125 | 93% | 0.932 | 77% | 0.77 | S | S | * | * | trans | 46 | 117 | 132.3 | -169.8 | -165.1 | -146.6 | 168.8 | 5 | 120.1 | ||||
| 552 | G | 26.6 | Very low | 32 | Very low | 67 Ų | 67 | 128.2 Ų | 128.2 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | trans | 169.5 | 129 | 156.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 553 | M | 31.2 | Very low | 32.2 | Very low | 181 Ų | 181 | 124.1 Ų | 124.1 | 89% | 0.892 | 76% | 0.764 | S | S | * | * | trans | -107.6 | 171.9 | 146.6 | -66.5 | -79.7 | 106 | 0 | 0 | 106.1 | ||||
| 554 | P | 45.3 | Very low | 32.4 | Very low | 117 Ų | 117 | 125 Ų | 125 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | cis | -144.6 | 176.5 | 15.3 | 44.5 | -25.4 | 0 | 0 | 0 | 118.2 | ||||
| 555 | A | 29 | Very low | 32.5 | Very low | 87 Ų | 87 | 128.7 Ų | 128.7 | 72% | 0.719 | 77% | 0.771 | S | S | * | * | trans | 47.4 | 144.7 | 138.6 | 0 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 556 | V | 27.9 | Very low | 32.6 | Very low | 137 Ų | 137 | 128.1 Ų | 128.1 | 83% | 0.83 | 77% | 0.766 | S | S | * | * | trans | 73.9 | 143.5 | 153.6 | 160.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 557 | V | 28.8 | Very low | 32.7 | Very low | 135 Ų | 135 | 128.8 Ų | 128.8 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | cis | -137.4 | 174.6 | 25.5 | -152.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 558 | Q | 31.2 | Very low | 33.8 | Very low | 168 Ų | 168 | 128.4 Ų | 128.4 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | -70.7 | -174.4 | 160.3 | -119.9 | -167.6 | 75.1 | 0 | 0 | 113.1 | ||||
| 559 | P | 49.5 | Very low | 33 | Very low | 103 Ų | 103 | 129 Ų | 129 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | cis | -151.7 | 178.9 | 34.8 | 44.4 | -22.7 | 0 | 0 | 0 | 121 | ||||
| 560 | V | 28.1 | Very low | 33.2 | Very low | 136 Ų | 136 | 128.5 Ų | 128.5 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | trans | 71.2 | 155.4 | 157.7 | 160.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 561 | S | 33 | Very low | 33.4 | Very low | 99 Ų | 99 | 128.3 Ų | 128.3 | 69% | 0.692 | 78% | 0.777 | S | S | * | * | cis | -134.6 | -177.2 | 8.2 | 74.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 562 | Q | 33.5 | Very low | 34.3 | Very low | 155 Ų | 155 | 122.7 Ų | 122.7 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | cis | 80 | 138.9 | 9.6 | -169.7 | -176.2 | -55.5 | 0 | 0 | 117.5 | ||||
| 563 | A | 32.9 | Very low | 34.3 | Very low | 77 Ų | 77 | 123.8 Ų | 123.8 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | cis | -167.6 | -161.5 | -28.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 564 | H | 32.7 | Very low | 34.4 | Very low | 172 Ų | 172 | 120.7 Ų | 120.7 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | cis | -164.5 | 165.7 | 16.1 | -81 | -66.1 | 0 | 0 | 0 | 111.4 | ||||
| 565 | I | 29.7 | Very low | 33.6 | Very low | 162 Ų | 162 | 120.6 Ų | 120.6 | 83% | 0.831 | 77% | 0.774 | S | S | * | * | trans | 58.5 | 133.4 | 144.1 | -71.7 | 164.9 | 0 | 0 | 0 | 120.8 | ||||
| 566 | A | 30.1 | Very low | 33.7 | Very low | 92 Ų | 92 | 125.4 Ų | 125.4 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | cis | -160.9 | 178.3 | -7.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 567 | S | 31.5 | Very low | 33.5 | Very low | 114 Ų | 114 | 127.8 Ų | 127.8 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | -118.1 | 176.5 | -173.7 | -45 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 568 | P | 51.2 | Low | 33.5 | Very low | 128 Ų | 128 | 125.3 Ų | 125.3 | 83% | 0.831 | 78% | 0.777 | S | S | * | * | -152.7 | -168.1 | 89.7 | 41.2 | -22.9 | 0 | 0 | 0 | 114.6 | |||||
| 569 | S | 34.3 | Very low | 34.9 | Very low | 107 Ų | 107 | 123.3 Ų | 123.3 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | -173.6 | 125.8 | -57.2 | -173.7 | 0 | 0 | 0 | 0 | 111 | |||||
| 570 | S | 32.4 | Very low | 35.2 | Very low | 119 Ų | 119 | 123.1 Ų | 123.1 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | 164.7 | 154.5 | 149.5 | 43.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 571 | A | 35.2 | Very low | 35.1 | Very low | 91 Ų | 91 | 124.3 Ų | 124.3 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | cis | 177 | 155.4 | -48.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 572 | P | 45.7 | Very low | 34.9 | Very low | 129 Ų | 129 | 124.9 Ų | 124.9 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | cis | -131 | 174.3 | -28.1 | 39.4 | -24.3 | 0 | 0 | 0 | 113.3 | ||||
| 573 | A | 27.1 | Very low | 34.8 | Very low | 90 Ų | 90 | 123.9 Ų | 123.9 | 74% | 0.744 | 78% | 0.783 | S | S | * | * | trans | -151.2 | 164.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 574 | S | 32.8 | Very low | 34.6 | Very low | 117 Ų | 117 | 123 Ų | 123 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | 72.2 | 125.1 | 165.9 | -52.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 575 | S | 29.1 | Very low | 34.5 | Very low | 115 Ų | 115 | 121.5 Ų | 121.5 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | 175.8 | 154.2 | 154.2 | -82.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 576 | Q | 29.9 | Very low | 34.5 | Very low | 187 Ų | 187 | 120.1 Ų | 120.1 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | cis | -161 | -162.2 | -33.7 | -143.7 | -175.7 | -16.4 | 0 | 0 | 110 | ||||
| 577 | E | 25.6 | Very low | 34.3 | Very low | 188 Ų | 188 | 122.7 Ų | 122.7 | 88% | 0.879 | 78% | 0.778 | S | S | * | * | trans | -101.7 | -175.3 | -165.9 | -153.3 | 165.7 | 61 | 0 | 0 | 113.2 | ||||
| 578 | A | 28.9 | Very low | 34.1 | Very low | 83 Ų | 83 | 120.5 Ų | 120.5 | 69% | 0.686 | 77% | 0.767 | S | S | * | * | trans | -132.5 | -174.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 579 | P | 59.9 | Low | 33 | Very low | 125 Ų | 125 | 123 Ų | 123 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | cis | -104.7 | -92.9 | -11.2 | 21.2 | 2.5 | 0 | 0 | 0 | 112.9 | ||||
| 580 | P | 54.8 | Low | 32.6 | Very low | 99 Ų | 99 | 122.7 Ų | 122.7 | 64% | 0.643 | 76% | 0.761 | S | S | * | * | cis | -122.2 | -168.7 | -5.4 | 43.5 | -27.8 | 0 | 0 | 0 | 114.9 | ||||
| 581 | L | 27.3 | Very low | 32.3 | Very low | 161 Ų | 161 | 125.9 Ų | 125.9 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | trans | 69.7 | 149.9 | 165.6 | -64.3 | 164.6 | 0 | 0 | 0 | 117.2 | ||||
| 582 | T | 27.8 | Very low | 32.1 | Very low | 111 Ų | 111 | 124.2 Ų | 124.2 | 68% | 0.681 | 75% | 0.754 | S | S | * | * | cis | -163.9 | 156.4 | -13.2 | 179.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 583 | T | 31.7 | Very low | 31.6 | Very low | 135 Ų | 135 | 125.3 Ų | 125.3 | 83% | 0.828 | 76% | 0.758 | S | S | * | * | trans | 68.3 | 148 | 163.2 | -37.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 584 | G | 29.4 | Very low | 31.7 | Very low | 59 Ų | 59 | 124.9 Ų | 124.9 | 61% | 0.608 | 76% | 0.755 | S | S | * | * | cis | 167.3 | 146.6 | -14.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 585 | V | 31.1 | Very low | 31.7 | Very low | 139 Ų | 139 | 126.5 Ų | 126.5 | 84% | 0.842 | 75% | 0.75 | S | S | * | * | trans | 55.6 | 136.2 | 159.1 | -137.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 586 | N | 28.9 | Very low | 31.9 | Very low | 133 Ų | 133 | 128.4 Ų | 128.4 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | trans | 83.4 | 106 | 144 | -119.7 | -115.7 | 0 | 0 | 0 | 122.3 | ||||
| 587 | L | 26.5 | Very low | 32.1 | Very low | 146 Ų | 146 | 125.7 Ų | 125.7 | 76% | 0.764 | 74% | 0.743 | S | S | * | * | 70.3 | 123.1 | 111.1 | -164.4 | 63.9 | 0 | 0 | 0 | 122.5 | |||||
| 588 | A | 26.9 | Very low | 32.3 | Very low | 69 Ų | 69 | 124.7 Ų | 124.7 | 57% | 0.57 | 74% | 0.736 | S | S | * | * | trans | 73.2 | 146 | 144.4 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 589 | Q | 27.9 | Very low | 32.3 | Very low | 181 Ų | 181 | 124 Ų | 124 | 85% | 0.846 | 73% | 0.726 | S | S | * | * | trans | 65.5 | 159.5 | 149.5 | -74.2 | 174.2 | -85.6 | 0 | 0 | 119.3 | ||||
| 590 | V | 26 | Very low | 30.9 | Very low | 99 Ų | 99 | 124 Ų | 124 | 60% | 0.6 | 72% | 0.724 | S | S | * | * | cis | -163.6 | 147.1 | -38 | 79.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 591 | Q | 26.5 | Very low | 29.9 | Very low | 187 Ų | 187 | 123.5 Ų | 123.5 | 87% | 0.874 | 73% | 0.728 | S | S | * | * | trans | 58.2 | 152.1 | 167.8 | -71.2 | 152.7 | -3.6 | 0 | 0 | 116.9 | ||||
| 592 | G | 30.4 | Very low | 30.3 | Very low | 55 Ų | 55 | 121 Ų | 121 | 57% | 0.567 | 72% | 0.724 | S | S | * | * | cis | 154.7 | 166.5 | -4.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 593 | T | 34.4 | Very low | 30.4 | Very low | 152 Ų | 152 | 120.6 Ų | 120.6 | 93% | 0.933 | 73% | 0.726 | S | S | * | * | trans | 63.2 | 156.5 | 175.2 | 69.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 594 | A | 30.8 | Very low | 31.7 | Very low | 82 Ų | 82 | 119.9 Ų | 119.9 | 68% | 0.678 | 72% | 0.724 | S | S | * | * | cis | -160.5 | 172.5 | -30.4 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 595 | H | 32.5 | Very low | 31.8 | Very low | 151 Ų | 151 | 123.5 Ų | 123.5 | 70% | 0.699 | 73% | 0.734 | S | S | * | * | cis | -172.6 | 152.9 | 44.8 | -142.2 | -98 | 0 | 0 | 0 | 109.3 | ||||
| 596 | M | 32 | Very low | 32 | Very low | 155 Ų | 155 | 123.4 Ų | 123.4 | 76% | 0.764 | 73% | 0.733 | S | S | * | * | trans | 36.6 | 147 | 153.7 | -72.6 | 177.6 | 179.6 | 0 | 0 | 122.6 | ||||
| 597 | V | 34.1 | Very low | 32 | Very low | 129 Ų | 129 | 121.6 Ų | 121.6 | 78% | 0.782 | 74% | 0.736 | S | S | * | * | cis | -116.6 | -135.3 | 14.9 | -140.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 598 | K | 30.4 | Very low | 32.1 | Very low | 167 Ų | 167 | 123.7 Ų | 123.7 | 73% | 0.726 | 74% | 0.743 | S | S | * | * | cis | -140.5 | -140.7 | -1.4 | -170.6 | 27.9 | -152.5 | 147.8 | 0 | 111.7 | ||||
| 599 | S | 28.6 | Very low | 32.3 | Very low | 69 Ų | 69 | 129 Ų | 129 | 48% | 0.483 | 76% | 0.758 | S | S | . | * | trans | -177.4 | 155.7 | -165.5 | -2.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 600 | T | 30.5 | Very low | 34 | Very low | 125 Ų | 125 | 125.7 Ų | 125.7 | 77% | 0.767 | 75% | 0.752 | S | S | * | * | cis | -152.6 | 142.1 | 9 | 18.2 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 601 | A | 33.8 | Very low | 34.3 | Very low | 88 Ų | 88 | 125.9 Ų | 125.9 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | 66.5 | 143 | 62.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 602 | S | 35.9 | Very low | 34.8 | Very low | 108 Ų | 108 | 121.4 Ų | 121.4 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | cis | -156.7 | 152.1 | 8.3 | 13.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 603 | S | 30.6 | Very low | 34.7 | Very low | 103 Ų | 103 | 128.8 Ų | 128.8 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | 68.8 | 164.2 | 71.3 | -137.1 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 604 | P | 58.3 | Low | 34.4 | Very low | 120 Ų | 120 | 130.8 Ų | 130.8 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | cis | -80.4 | -164.4 | 24.1 | 38.7 | -42.3 | 0 | 0 | 0 | 113.6 | ||||
| 605 | V | 32.2 | Very low | 34.3 | Very low | 136 Ų | 136 | 132.9 Ų | 132.9 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | cis | -149 | 166.8 | 10.8 | 73 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 606 | V | 35 | Very low | 34 | Very low | 137 Ų | 137 | 133.9 Ų | 133.9 | 83% | 0.83 | 77% | 0.77 | S | S | * | * | trans | -152.7 | 127.3 | -176.2 | 55.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 607 | A | 29.7 | Very low | 34.1 | Very low | 94 Ų | 94 | 131.7 Ų | 131.7 | 78% | 0.777 | 77% | 0.769 | S | S | * | * | trans | -169.3 | 138.1 | 157.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 608 | Q | 28.8 | Very low | 33.8 | Very low | 191 Ų | 191 | 132 Ų | 132 | 89% | 0.893 | 77% | 0.771 | S | S | * | * | cis | -154.6 | 162.5 | -16 | -166.9 | 161.5 | -4.5 | 0 | 0 | 110.2 | ||||
| 609 | M | 31 | Very low | 33.6 | Very low | 180 Ų | 180 | 131.6 Ų | 131.6 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | trans | -81 | 169.4 | -159.9 | -83.1 | -72.7 | -172.7 | 0 | 0 | 118.1 | ||||
| 610 | P | 63.4 | Low | 33.6 | Very low | 112 Ų | 112 | 135.3 Ų | 135.3 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -118.4 | -169.3 | -168.2 | 46.1 | -36.7 | 0 | 0 | 0 | 114.5 | ||||
| 611 | A | 31.7 | Very low | 33.9 | Very low | 103 Ų | 103 | 135.5 Ų | 135.5 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | trans | -171.6 | 165.5 | 142.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 612 | A | 36.7 | Very low | 33.6 | Very low | 92 Ų | 92 | 134.2 Ų | 134.2 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | trans | -143.2 | 146.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 613 | F | 27.8 | Very low | 33.2 | Very low | 210 Ų | 210 | 139.4 Ų | 139.4 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | trans | -152.5 | 120.8 | 167.6 | -117.4 | -79.8 | 0 | 0 | 0 | 115.7 | ||||
| 614 | Y | 29.1 | Very low | 33 | Very low | 195 Ų | 195 | 139.7 Ų | 139.7 | 77% | 0.765 | 80% | 0.795 | S | S | * | * | trans | 8 | 131.5 | 148.2 | -127.3 | -134.6 | 0 | 0 | 0 | 124 | ||||
| 615 | M | 27.6 | Very low | 31.7 | Very low | 126 Ų | 126 | 142.8 Ų | 142.8 | 62% | 0.621 | 80% | 0.799 | S | S | * | * | 79.3 | 126.8 | 127.7 | -85.3 | -60.5 | 152.6 | 0 | 0 | 126 | |||||
| 616 | Q | 26.9 | Very low | 31.5 | Very low | 172 Ų | 172 | 142 Ų | 142 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | 86.8 | 144 | 124.6 | -159.5 | 160.3 | 6.5 | 0 | 0 | 121.2 | |||||
| 617 | S | 35.1 | Very low | 31.2 | Very low | 108 Ų | 108 | 144 Ų | 144 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | -118.7 | 145.4 | -173.3 | 46.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 618 | V | 26.3 | Very low | 31.2 | Very low | 136 Ų | 136 | 143.7 Ų | 143.7 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | -144.8 | 154 | 171.1 | -176.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 619 | Q | 26.8 | Very low | 31.2 | Very low | 158 Ų | 158 | 140.8 Ų | 140.8 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | trans | -60.7 | 149.9 | -174.9 | -92.8 | 73.6 | 6 | 0 | 0 | 118.8 | ||||
| 620 | L | 29.2 | Very low | 31.3 | Very low | 148 Ų | 148 | 141 Ų | 141 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | 21.7 | 138.8 | 118.9 | -80.1 | 160.9 | 0 | 0 | 0 | 118.8 | |||||
| 621 | P | 36.8 | Very low | 29.9 | Very low | 129 Ų | 129 | 145.6 Ų | 145.6 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | -133.9 | 171.9 | 62 | 38.5 | -24.4 | 0 | 0 | 0 | 114.4 | |||||
| 622 | G | 25.9 | Very low | 29.9 | Very low | 60 Ų | 60 | 149 Ų | 149 | 62% | 0.619 | 79% | 0.787 | S | S | * | * | cis | 125.5 | 113.7 | 7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 623 | K | 27.9 | Very low | 29.8 | Very low | 217 Ų | 217 | 148 Ų | 148 | 94% | 0.943 | 78% | 0.779 | S | S | * | * | trans | -158.5 | 161.1 | 174.6 | -103.8 | 157.3 | -173.5 | 175 | 0 | 109.5 | ||||
| 624 | S | 27.8 | Very low | 29.6 | Very low | 110 Ų | 110 | 145.4 Ų | 145.4 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | trans | -147.9 | 140.9 | -156.4 | 41.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 625 | Q | 29.9 | Very low | 29.6 | Very low | 184 Ų | 184 | 140.2 Ų | 140.2 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | trans | -175.2 | 122.6 | 141.1 | -99 | 163.3 | 51.2 | 0 | 0 | 107.4 | ||||
| 626 | T | 28.4 | Very low | 29.7 | Very low | 121 Ų | 121 | 142.4 Ų | 142.4 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | 78 | 98.8 | 74 | -52.7 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 627 | L | 28.9 | Very low | 29.8 | Very low | 177 Ų | 177 | 142 Ų | 142 | 93% | 0.927 | 77% | 0.768 | S | S | * | * | -176.1 | 176.5 | 123.7 | -97.1 | 172.4 | 0 | 0 | 0 | 111.6 | |||||
| 628 | A | 28.8 | Very low | 29.3 | Very low | 88 Ų | 88 | 144.4 Ų | 144.4 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | -112.2 | -169.5 | -153.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 629 | V | 29.6 | Very low | 29.5 | Very low | 130 Ų | 130 | 144.4 Ų | 144.4 | 79% | 0.788 | 76% | 0.757 | S | S | * | * | trans | 103.9 | 100.4 | 158.6 | -168.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 630 | K | 32.2 | Very low | 29.4 | Very low | 184 Ų | 184 | 143.8 Ų | 143.8 | 80% | 0.8 | 75% | 0.754 | S | S | * | * | trans | -44.9 | 131 | 157 | 161.2 | -164.4 | 173.2 | -173.8 | 0 | 118 | ||||
| 631 | R | 34.3 | Very low | 29.3 | Very low | 210 Ų | 210 | 144 Ų | 144 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | trans | 174.5 | 144.9 | 142 | -88.5 | 152 | -167.7 | 99.5 | -17.3 | 106.6 | ||||
| 632 | K | 32.8 | Very low | 28.9 | Very low | 173 Ų | 173 | 142.5 Ų | 142.5 | 75% | 0.752 | 74% | 0.743 | S | S | * | * | cis | 86.1 | 126.5 | 32.1 | -160.9 | -153.1 | 169.2 | -75.6 | 0 | 114.6 | E634 | K632-E634 IonicContact NZ-OE2 3.01Å; K632-E634 PolarHBondContact NZ-OE2 2.89Å | ||
| 633 | A | 34.6 | Very low | 29.9 | Very low | 72 Ų | 72 | 144.8 Ų | 144.8 | 60% | 0.595 | 75% | 0.748 | S | S | * | * | trans | 82.4 | 152.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 634 | E | 23.4 | Very low | 30.1 | Very low | 155 Ų | 155 | 139.3 Ų | 139.3 | 72% | 0.724 | 74% | 0.736 | S | S | * | * | cis | -157.5 | -175.6 | -15.5 | -123.5 | 137.9 | 70.5 | 0 | 0 | 109.8 | K632 | K632-E634 IonicContact NZ-OE2 3.01Å; K632-E634 PolarHBondContact NZ-OE2 2.89Å | ||
| 635 | S | 28.8 | Very low | 30.5 | Very low | 86 Ų | 86 | 139.7 Ų | 139.7 | 60% | 0.601 | 73% | 0.734 | S | S | * | * | trans | 21.4 | 134.5 | 161.5 | -72.1 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 636 | E | 28.9 | Very low | 30.8 | Very low | 172 Ų | 172 | 138 Ų | 138 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | 55.2 | 157.2 | 118.1 | -57.2 | 159.4 | 123.8 | 0 | 0 | 120.2 | |||||
| 637 | E | 29.2 | Very low | 31.1 | Very low | 163 Ų | 163 | 136.5 Ų | 136.5 | 76% | 0.762 | 73% | 0.73 | S | S | * | * | cis | -152.7 | -145.4 | 9.7 | -149.2 | -155.7 | 85.7 | 0 | 0 | 112.7 | ||||
| 638 | E | 25.6 | Very low | 31.1 | Very low | 160 Ų | 160 | 134.3 Ų | 134.3 | 75% | 0.748 | 72% | 0.724 | S | S | * | * | trans | 81 | 132.4 | 172.1 | -58.8 | -156 | 87.4 | 0 | 0 | 119.3 | ||||
| 639 | K | 29.9 | Very low | 31.4 | Very low | 136 Ų | 136 | 137.8 Ų | 137.8 | 59% | 0.591 | 73% | 0.729 | S | S | * | * | cis | 106.4 | 148.6 | 21.4 | -175 | 177.5 | 175.2 | -65.9 | 0 | 111.8 | ||||
| 640 | E | 25.5 | Very low | 32.5 | Very low | 145 Ų | 145 | 137.4 Ų | 137.4 | 68% | 0.678 | 73% | 0.73 | S | S | * | * | cis | -101.3 | -125.9 | 9.2 | -155.9 | 87.5 | 74.2 | 0 | 0 | 113.2 | ||||
| 641 | E | 26.1 | Very low | 32.5 | Very low | 152 Ų | 152 | 133 Ų | 133 | 71% | 0.71 | 73% | 0.727 | S | S | * | * | cis | -159.2 | 147.1 | 5.5 | -152.2 | -61.8 | 99.5 | 0 | 0 | 110.2 | ||||
| 642 | S | 29.4 | Very low | 32.4 | Very low | 97 Ų | 97 | 134.4 Ų | 134.4 | 68% | 0.678 | 73% | 0.733 | S | S | * | * | trans | -177.6 | 150.9 | 158.2 | 61.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 643 | P | 46.4 | Very low | 32.1 | Very low | 109 Ų | 109 | 131.3 Ų | 131.3 | 71% | 0.708 | 73% | 0.733 | S | S | * | * | trans | -112.8 | 140.2 | 153.6 | 35.1 | -26.5 | 0 | 0 | 0 | 112.1 | ||||
| 644 | S | 32.3 | Very low | 32.1 | Very low | 101 Ų | 101 | 133.5 Ų | 133.5 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | cis | 81.3 | 138 | 29.9 | -139.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 645 | V | 35.3 | Very low | 33.6 | Very low | 118 Ų | 118 | 131.5 Ų | 131.5 | 72% | 0.715 | 74% | 0.744 | S | S | * | * | cis | -157.8 | 145.5 | 38 | -82.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 646 | N | 35.8 | Very low | 33.7 | Very low | 150 Ų | 150 | 133.1 Ų | 133.1 | 80% | 0.802 | 75% | 0.75 | S | S | * | * | 49.3 | 163.6 | 129 | -60.8 | -44.2 | 0 | 0 | 0 | 125 | |||||
| 647 | A | 34.5 | Very low | 33.9 | Very low | 88 Ų | 88 | 130.7 Ų | 130.7 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | cis | -129.7 | -140.7 | 8.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 648 | V | 30.7 | Very low | 33.6 | Very low | 131 Ų | 131 | 129.3 Ų | 129.3 | 79% | 0.794 | 75% | 0.745 | S | S | * | * | cis | -152.7 | 157.6 | 20.1 | -175.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 649 | L | 34.6 | Very low | 33.8 | Very low | 161 Ų | 161 | 126.7 Ų | 126.7 | 84% | 0.843 | 75% | 0.745 | S | S | * | * | trans | -143.5 | 170.2 | 173.3 | -60.1 | 173 | 0 | 0 | 0 | 111.1 | ||||
| 650 | P | 51.4 | Low | 34.5 | Very low | 122 Ų | 122 | 125.3 Ų | 125.3 | 79% | 0.792 | 75% | 0.75 | S | S | * | * | -159.5 | 139.1 | 83.2 | 38.7 | -16.2 | 0 | 0 | 0 | 121 | |||||
| 651 | A | 33.1 | Very low | 34.7 | Very low | 91 Ų | 91 | 127.8 Ų | 127.8 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | trans | 59.7 | 159 | 133.8 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 652 | R | 32.4 | Very low | 34.6 | Very low | 240 Ų | 240 | 127.8 Ų | 127.8 | 91% | 0.906 | 76% | 0.763 | S | S | * | * | cis | -113.9 | -123.1 | 4.9 | -61.2 | 176 | 179.6 | -161.9 | -1 | 113.1 | ||||
| 653 | S | 27.4 | Very low | 34.6 | Very low | 108 Ų | 108 | 131.9 Ų | 131.9 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | cis | -159.1 | 161.3 | 10.5 | -61.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 654 | S | 32.7 | Very low | 33.7 | Very low | 118 Ų | 118 | 135.2 Ų | 135.2 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | trans | -166.5 | -168.9 | 176.9 | -33.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 655 | P | 56.8 | Low | 33.4 | Very low | 113 Ų | 113 | 137.4 Ų | 137.4 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | cis | -142.5 | -161.3 | -19.5 | 36.3 | -12.6 | 0 | 0 | 0 | 115.7 | ||||
| 656 | V | 30.2 | Very low | 33.1 | Very low | 120 Ų | 120 | 139.5 Ų | 139.5 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | 107.4 | 117.1 | 132.3 | 141.2 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 657 | T | 31.9 | Very low | 32.6 | Very low | 122 Ų | 122 | 138.1 Ų | 138.1 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | trans | 58.6 | 163.3 | 150 | 63.4 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 658 | D | 24.7 | Very low | 32.1 | Very low | 133 Ų | 133 | 137.1 Ų | 137.1 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | cis | -149.5 | -174.5 | 11.4 | -160.1 | -121 | 0 | 0 | 0 | 114.8 | ||||
| 659 | S | 28.2 | Very low | 32 | Very low | 106 Ų | 106 | 139.9 Ų | 139.9 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | trans | -162.3 | 137.5 | 170.8 | -74.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 660 | P | 45.7 | Very low | 31.7 | Very low | 106 Ų | 106 | 135.7 Ų | 135.7 | 69% | 0.688 | 78% | 0.784 | S | S | * | * | -157.8 | 156.6 | 117.9 | 37.1 | -18.1 | 0 | 0 | 0 | 119.8 | |||||
| 661 | K | 28.2 | Very low | 30.5 | Very low | 198 Ų | 198 | 136.2 Ų | 136.2 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | trans | 64.7 | 112.6 | 137.1 | -72.3 | 173.2 | -179.6 | 176.1 | 0 | 124.1 | ||||
| 662 | N | 25.2 | Very low | 30.4 | Very low | 152 Ų | 152 | 139.9 Ų | 139.9 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | 57.4 | 122.3 | 110.1 | -172.3 | 54.3 | 0 | 0 | 0 | 122.8 | |||||
| 663 | M | 29.3 | Very low | 30.3 | Very low | 183 Ų | 183 | 133.9 Ų | 133.9 | 90% | 0.901 | 77% | 0.774 | S | S | * | * | trans | -165.5 | -179.7 | 136.7 | 59.9 | -176.3 | 178.4 | 0 | 0 | 113.9 | ||||
| 664 | E | 26.8 | Very low | 30.3 | Very low | 178 Ų | 178 | 135.4 Ų | 135.4 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | trans | -85.2 | 160.5 | -155.6 | -79.8 | 162.9 | 36.7 | 0 | 0 | 119.9 | ||||
| 665 | E | 26.1 | Very low | 30.9 | Very low | 147 Ų | 147 | 135.4 Ų | 135.4 | 69% | 0.687 | 77% | 0.77 | S | S | * | * | trans | 28.9 | 147.8 | 133.4 | -139.3 | -161.1 | 90.6 | 0 | 0 | 124.2 | ||||
| 666 | K | 28.9 | Very low | 29.5 | Very low | 163 Ų | 163 | 134.2 Ų | 134.2 | 71% | 0.709 | 77% | 0.77 | S | S | * | * | 113 | 112.7 | 128.8 | -146.9 | -179.7 | -152 | 87.1 | 0 | 120.6 | |||||
| 667 | S | 25.1 | Very low | 29.5 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | trans | 41.6 | 138.1 | 141.1 | -51.4 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 668 | G | 25.4 | Very low | 29.1 | Very low | 67 Ų | 67 | 132.2 Ų | 132.2 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | trans | 156 | 126.6 | 158.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 669 | L | 28.9 | Very low | 29.3 | Very low | 188 Ų | 188 | 130.7 Ų | 130.7 | 98% | 0.984 | 78% | 0.777 | S | S | * | * | 61.3 | 121.4 | 54.5 | -67.4 | 166 | 0 | 0 | 0 | 113.3 | |||||
| 670 | G | 26.8 | Very low | 29.4 | Very low | 73 Ų | 73 | 132 Ų | 132 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | cis | 167.4 | -160.5 | -3.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 671 | D | 25.9 | Very low | 29 | Very low | 133 Ų | 133 | 133 Ų | 133 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | 91.9 | 123.8 | 158.7 | -144.2 | -127.5 | 0 | 0 | 0 | 122.2 | ||||
| 672 | K | 31.1 | Very low | 29 | Very low | 169 Ų | 169 | 130.4 Ų | 130.4 | 74% | 0.735 | 78% | 0.784 | S | S | * | * | trans | 47.7 | 158.4 | 150.8 | -67.1 | -174.7 | -163 | 73.3 | 0 | 122.4 | ||||
| 673 | S | 30.8 | Very low | 29.9 | Very low | 114 Ų | 114 | 128.1 Ų | 128.1 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | cis | -147 | 160.2 | 20.5 | -53.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 674 | D | 27.3 | Very low | 29.9 | Very low | 140 Ų | 140 | 125.3 Ų | 125.3 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | trans | -87 | 166.1 | 162 | -132.8 | -78.3 | 0 | 0 | 0 | 110.3 | A676 | D674-A676 PolarHBondContact OD1-N 3.27Š| ||
| 675 | P | 46.5 | Very low | 29.9 | Very low | 117 Ų | 117 | 121.3 Ų | 121.3 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | -153.8 | 134.6 | 74.9 | 37.5 | -15.7 | 0 | 0 | 0 | 118.9 | |||||
| 676 | A | 26.9 | Very low | 30 | Very low | 89 Ų | 89 | 120 Ų | 120 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | trans | 55.4 | 167.2 | 130.8 | 0 | 0 | 0 | 0 | 0 | 121.6 | D674 | D674-A676 PolarHBondContact OD1-N 3.27Š| ||
| 677 | A | 29.2 | Very low | 29.9 | Very low | 85 Ų | 85 | 120.4 Ų | 120.4 | 70% | 0.702 | 76% | 0.764 | S | S | * | * | cis | -152.9 | 147.4 | 1.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 678 | S | 24.4 | Very low | 30 | Very low | 115 Ų | 115 | 118.1 Ų | 118.1 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | trans | 25.4 | 133.1 | 144.1 | 62.7 | 0 | 0 | 0 | 0 | 124 | ||||
| 679 | A | 28.7 | Very low | 30.1 | Very low | 100 Ų | 100 | 121.8 Ų | 121.8 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | -167.3 | 140.3 | 114.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 680 | T | 29.2 | Very low | 30 | Very low | 133 Ų | 133 | 117.3 Ų | 117.3 | 82% | 0.816 | 75% | 0.746 | S | S | * | * | trans | -123.5 | 160 | 170.3 | -22.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 681 | P | 38.3 | Very low | 30.1 | Very low | 129 Ų | 129 | 119.4 Ų | 119.4 | 84% | 0.838 | 74% | 0.744 | S | S | * | * | -147.6 | 168.9 | 94 | 38.2 | -21.4 | 0 | 0 | 0 | 115.5 | |||||
| 682 | N | 28.1 | Very low | 30 | Very low | 143 Ų | 143 | 119.1 Ų | 119.1 | 77% | 0.765 | 75% | 0.747 | S | S | * | * | trans | -125.6 | 152.4 | 166.4 | -172.9 | 23.7 | 0 | 0 | 0 | 107.5 | ||||
| 683 | P | 44.8 | Very low | 30.5 | Very low | 104 Ų | 104 | 116.2 Ų | 116.2 | 68% | 0.675 | 75% | 0.745 | S | S | * | * | -155.4 | 148.3 | 113.5 | 38.7 | -20.3 | 0 | 0 | 0 | 117.6 | |||||
| 684 | T | 27.8 | Very low | 30.2 | Very low | 124 Ų | 124 | 116.9 Ų | 116.9 | 76% | 0.761 | 75% | 0.745 | S | S | * | * | 57.4 | 130.1 | 122.7 | -51.2 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 685 | S | 28.1 | Very low | 30.3 | Very low | 93 Ų | 93 | 115.8 Ų | 115.8 | 65% | 0.65 | 75% | 0.748 | S | S | * | * | cis | -174 | 179.9 | 5.5 | -138.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 686 | N | 28.2 | Very low | 29.4 | Very low | 119 Ų | 119 | 114.3 Ų | 114.3 | 64% | 0.636 | 75% | 0.746 | S | S | * | * | trans | 76.4 | 129.3 | 146.1 | -77 | 38.8 | 0 | 0 | 0 | 123.7 | ||||
| 687 | E | 25.6 | Very low | 29.4 | Very low | 173 Ų | 173 | 114.8 Ų | 114.8 | 81% | 0.808 | 74% | 0.744 | S | S | * | * | trans | 60.7 | 162.4 | 136.5 | -67.2 | -179.4 | 77.9 | 0 | 0 | 122.5 | ||||
| 688 | A | 29.2 | Very low | 29.7 | Very low | 73 Ų | 73 | 117.2 Ų | 117.2 | 60% | 0.603 | 75% | 0.75 | S | S | * | * | cis | -170.4 | 153 | -38.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 689 | T | 26.1 | Very low | 30.8 | Very low | 144 Ų | 144 | 117.2 Ų | 117.2 | 88% | 0.883 | 75% | 0.748 | S | S | * | * | trans | 65.1 | -177.8 | 156.3 | -49.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 690 | S | 26.3 | Very low | 31 | Very low | 94 Ų | 94 | 119.2 Ų | 119.2 | 66% | 0.657 | 74% | 0.744 | S | S | * | * | trans | -144.4 | -179.2 | -147.4 | 60.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 691 | V | 30 | Very low | 31.3 | Very low | 117 Ų | 117 | 119.1 Ų | 119.1 | 71% | 0.709 | 74% | 0.743 | S | S | * | * | trans | 74.8 | 108.6 | 158.8 | -64.5 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 692 | T | 23.8 | Very low | 30.8 | Very low | 126 Ų | 126 | 117.6 Ų | 117.6 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | trans | 68.8 | 175.7 | 136.7 | 65.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 693 | P | 40.6 | Very low | 31.1 | Very low | 108 Ų | 108 | 119.7 Ų | 119.7 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | cis | -132.4 | 159 | -18 | 16.9 | 8.4 | 0 | 0 | 0 | 117.3 | ||||
| 694 | T | 25.1 | Very low | 30.5 | Very low | 128 Ų | 128 | 121.8 Ų | 121.8 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | 49.7 | 122.1 | 129.2 | -49.2 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 695 | S | 29.5 | Very low | 30.7 | Very low | 117 Ų | 117 | 120.9 Ų | 120.9 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | 98.7 | 145.8 | 138.3 | -83.8 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 696 | A | 26.8 | Very low | 30.8 | Very low | 87 Ų | 87 | 125.2 Ų | 125.2 | 72% | 0.719 | 76% | 0.76 | S | S | * | * | trans | 89.3 | 71.5 | 143.9 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 697 | S | 27.2 | Very low | 31 | Very low | 99 Ų | 99 | 126.1 Ų | 126.1 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | 36.2 | 112.3 | 123 | 61.8 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 698 | T | 35.1 | Very low | 31.3 | Very low | 135 Ų | 135 | 123.9 Ų | 123.9 | 83% | 0.828 | 76% | 0.759 | S | S | * | * | 65.9 | 160.4 | 129.8 | 58.9 | 0 | 0 | 0 | 0 | 121 | |||||
| 699 | P | 48.1 | Very low | 31.4 | Very low | 116 Ų | 116 | 124 Ų | 124 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | cis | -148.4 | 171.7 | 22.5 | 45.6 | -25.6 | 0 | 0 | 0 | 121.5 | ||||
| 700 | N | 32.6 | Very low | 31.7 | Very low | 141 Ų | 141 | 124.9 Ų | 124.9 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | trans | 94.7 | 129.1 | 136.1 | -131 | 12.3 | 0 | 0 | 0 | 125 | ||||
| 701 | V | 35.5 | Very low | 32.1 | Very low | 131 Ų | 131 | 125.4 Ų | 125.4 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | trans | 49.6 | 155.1 | 157.1 | -73.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 702 | A | 29.4 | Very low | 32.3 | Very low | 97 Ų | 97 | 128.9 Ų | 128.9 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | cis | -139.1 | -174.2 | 17.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 703 | M | 34 | Very low | 33.1 | Very low | 187 Ų | 187 | 127.6 Ų | 127.6 | 92% | 0.921 | 77% | 0.77 | S | S | * | * | trans | -107.7 | 164.6 | -171.1 | -52 | 178 | -175.1 | 0 | 0 | 114.6 | ||||
| 704 | V | 31.5 | Very low | 33 | Very low | 148 Ų | 148 | 128.9 Ų | 128.9 | 90% | 0.897 | 78% | 0.778 | S | S | * | * | -154.8 | 151.5 | 128.1 | 132.9 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 705 | S | 31.8 | Very low | 33.4 | Very low | 105 Ų | 105 | 130.6 Ų | 130.6 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | -98.6 | 163.4 | -176.9 | -158.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 706 | R | 30.7 | Very low | 33.8 | Very low | 185 Ų | 185 | 129.2 Ų | 129.2 | 70% | 0.698 | 77% | 0.773 | S | S | * | * | cis | -149.8 | -179.2 | 40.7 | -71 | 168.3 | 54.9 | -93 | -7.7 | 108.9 | ||||
| 707 | Q | 31.8 | Very low | 34.5 | Very low | 138 Ų | 138 | 132.6 Ų | 132.6 | 65% | 0.645 | 78% | 0.778 | S | S | * | * | cis | -149.2 | -170.3 | 25.9 | -33.6 | -167.9 | 96.4 | 0 | 0 | 114.1 | ||||
| 708 | T | 31.8 | Very low | 35.1 | Very low | 125 Ų | 125 | 134.2 Ų | 134.2 | 77% | 0.767 | 78% | 0.783 | S | S | * | * | trans | -14.1 | 131.2 | 156.5 | 53.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 709 | G | 30.9 | Very low | 35.5 | Very low | 77 Ų | 77 | 134.8 Ų | 134.8 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | cis | 124.6 | 96.3 | -13.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 710 | D | 33.2 | Very low | 35.3 | Very low | 162 Ų | 162 | 134.4 Ų | 134.4 | 87% | 0.866 | 77% | 0.771 | S | S | * | * | trans | -142.2 | 145.1 | 131.6 | -176.1 | -123.4 | 0 | 0 | 0 | 107.9 | ||||
| 711 | S | 33.8 | Very low | 35.9 | Very low | 105 Ų | 105 | 134.1 Ų | 134.1 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | trans | -141.3 | 121.8 | -164.4 | -66.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 712 | K | 35.1 | Very low | 36.4 | Very low | 190 Ų | 190 | 134 Ų | 134 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | trans | -118.9 | 137.8 | 157.2 | -93.2 | 180 | 175.6 | 171.7 | 0 | 110.7 | ||||
| 713 | P | 41.1 | Very low | 37.3 | Very low | 99 Ų | 99 | 133.2 Ų | 133.2 | 64% | 0.643 | 74% | 0.741 | S | S | * | * | trans | -69.3 | 158.9 | -178.9 | 30.3 | -36 | 0 | 0 | 0 | 111.3 | Q715 | P713-Q715 PolarHBondContact O-N 2.87Š| ||
| 714 | P | 37.3 | Very low | 38.7 | Very low | 134 Ų | 134 | 127.7 Ų | 127.7 | 87% | 0.87 | 72% | 0.718 | S | S | * | * | trans | -63.8 | 102.3 | 175.2 | 27.3 | -34.4 | 0 | 0 | 0 | 110 | A716 | P714-A716 PolarHBondContact O-N 3.31Š| ||
| 715 | Q | 33.6 | Very low | 40.1 | Very low | 164 Ų | 164 | 126.2 Ų | 126.2 | 77% | 0.766 | 70% | 0.701 | S | S | * | * | trans | -68.9 | 125.8 | 170.5 | -68.6 | -170.8 | -14 | 0 | 0 | 108.7 | P713 I717 | P713-Q715 PolarHBondContact O-N 2.87Å; Q715-I717 PolarHBondContact O-N 3.28Å | ||
| 716 | A | 39.5 | Very low | 41.7 | Very low | 88 Ų | 88 | 126.2 Ų | 126.2 | 73% | 0.727 | 69% | 0.691 | S | S | * | * | trans | -62.6 | 108.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | P714 V718 | P714-A716 PolarHBondContact O-N 3.31Å; A716-V718 PolarHBondContact O-N 2.87Å | ||
| 717 | I | 40.9 | Very low | 43.2 | Very low | 159 Ų | 159 | 122.1 Ų | 122.1 | 82% | 0.815 | 68% | 0.683 | S | S | * | * | trans | -73.3 | 83 | 175.8 | -57.7 | 179.2 | 0 | 0 | 0 | 107.7 | Q715 K719 | Q715-I717 PolarHBondContact O-N 3.28Å; I717-K719 PolarHBondContact O-N 3.28Å | ||
| 718 | V | 38.8 | Very low | 44.7 | Very low | 132 Ų | 132 | 123 Ų | 123 | 80% | 0.8 | 69% | 0.687 | S | S | * | * | trans | -66.9 | 86.4 | 162.7 | -179.3 | 0 | 0 | 0 | 0 | 106.3 | A716 P720 | A716-V718 PolarHBondContact O-N 2.87Å; V718-P720 WeakPolarHBondContact O-CD 3.41Å | ||
| 719 | K | 44.9 | Very low | 46.2 | Very low | 147 Ų | 147 | 120.3 Ų | 120.3 | 64% | 0.639 | 68% | 0.683 | S | S | * | * | trans | -53.7 | 122.6 | 177.3 | -176.3 | 174.9 | -178.7 | 177.4 | 0 | 107.6 | I717 Q721 | I717-K719 PolarHBondContact O-N 3.28Å; K719-Q721 VanDerWaalsContact C-N 3.29Å; K719-Q721 PolarHBondContact O-N 3.14Å | ||
| 720 | P | 42.8 | Very low | 47 | Very low | 109 Ų | 109 | 124.6 Ų | 124.6 | 71% | 0.708 | 68% | 0.681 | S | S | * | * | trans | -68.9 | 92.2 | 179.5 | 27.5 | -33.5 | 0 | 0 | 0 | 108.2 | V718 I722 | V718-P720 WeakPolarHBondContact O-CD 3.41Å; P720-I722 VanDerWaalsContact C-N 3.27Å; P720-I722 PolarHBondContact O-N 3.29Å | ||
| 721 | Q | 44.8 | Very low | 48.7 | Very low | 134 Ų | 134 | 121 Ų | 121 | 63% | 0.626 | 67% | 0.665 | S | S | * | * | trans | -80.8 | 83 | -179.5 | -160 | 163.6 | 20.5 | 0 | 0 | 107.5 | K719 L723 Q733 | K719-Q721 VanDerWaalsContact C-N 3.29Å; K719-Q721 PolarHBondContact O-N 3.14Å; Q721-L723 VanDerWaalsContact C-N 3.29Å; Q721-L723 PolarHBondContact O-N 2.94Å; Q721-Q733 VanDerWaalsContact NE2-CD 3.28Å | ||
| 722 | I | 45.6 | Very low | 49.9 | Very low | 128 Ų | 128 | 120.4 Ų | 120.4 | 66% | 0.656 | 65% | 0.652 | S | S | * | * | trans | -65.8 | 90.8 | -178.4 | -54.3 | 178.8 | 0 | 0 | 0 | 108.1 | P720 T724 | P720-I722 VanDerWaalsContact C-N 3.27Å; P720-I722 PolarHBondContact O-N 3.29Å; I722-T724 VanDerWaalsContact C-N 3.33Å; I722-T724 HydrophobicContact CG2-CG2 3.93Å; I722-T724 PolarHBondContact O-N 3.49Å | ||
| 723 | L | 48.3 | Very low | 50.6 | Low | 82 Ų | 82 | 117.4 Ų | 117.4 | 43% | 0.429 | 64% | 0.641 | S | S | . | * | trans | -72.2 | 91 | 172.9 | -179.5 | 65 | 0 | 0 | 0 | 108.1 | Q721 H725 I726 V731 I732 | Q721-L723 VanDerWaalsContact C-N 3.29Å; Q721-L723 PolarHBondContact O-N 2.94Å; L723-H725 PolarHBondContact O-N 3.44Å; L723-I726 HydrophobicContact CD2-CD1 3.93Å; L723-I726 HydrophobicContact CD2-CG1 3.87Å; L723-I726 HydrophobicContact CG-CG1 4.41Å; L723-V731 HydrophobicContact CD1-CG1 3.51Å; L723-V731 HydrophobicContact CD2-CG1 4.08Å; L723-V731 HydrophobicContact CG-CG1 4.46Å; L723-I732 WeakPolarHBondContact CD1-O 3.28Å | ||
| 724 | T | 65 | Low | 51.5 | Low | 70 Ų | 70 | 119.8 Ų | 119.8 | 43% | 0.429 | 64% | 0.643 | S | S | . | * | trans | -66.4 | -39.6 | -170.9 | 59 | 0 | 0 | 0 | 0 | 112.4 | I722 | I722-T724 VanDerWaalsContact C-N 3.33Å; I722-T724 HydrophobicContact CG2-CG2 3.93Å; I722-T724 PolarHBondContact O-N 3.49Å | ||
| 725 | H | 59.9 | Low | 52.2 | Low | 118 Ų | 118 | 116.2 Ų | 116.2 | 55% | 0.546 | 63% | 0.631 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -148.6 | 138.1 | -177.2 | -56.4 | 87.9 | 0 | 0 | 0 | 113.6 | L723 I727 I732 | L723-H725 PolarHBondContact O-N 3.44Å; H725-I727 HydrophobicContact CB-CG1 4.35Å; H725-I732 PolarHBondContact O-N 2.88Å |
| 726 | I | 66.1 | Low | 52.9 | Low | 104 Ų | 104 | 112.7 Ų | 112.7 | 53% | 0.533 | 63% | 0.63 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.4 | 129.1 | 158.4 | -58.6 | 177.2 | 0 | 0 | 0 | 106.7 | L723 V731 | L723-I726 HydrophobicContact CD2-CD1 3.93Å; L723-I726 HydrophobicContact CD2-CG1 3.87Å; L723-I726 HydrophobicContact CG-CG1 4.41Å; I726-V731 HydrophobicContact CD1-CG2 4.47Å; I726-V731 HydrophobicContact CG1-CG2 4.48Å |
| 727 | I | 61.9 | Low | 53.2 | Low | 100 Ų | 100 | 116.7 Ų | 116.7 | 51% | 0.513 | 63% | 0.634 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -127.4 | 125.4 | 179 | -58.5 | 179.9 | 0 | 0 | 0 | 109 | H725 G729 F730 I732 | H725-I727 HydrophobicContact CB-CG1 4.35Å; I727-G729 PolarHBondContact O-N 3.39Å; I727-F730 PolarHBondContact N-O 3.08Å; I727-F730 PolarHBondContact O-N 3.29Å; I727-I732 HydrophobicContact CD1-CD1 4.33Å |
| 728 | E | 62.7 | Low | 53.9 | Low | 156 Ų | 156 | 114.9 Ų | 114.9 | 73% | 0.729 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 41.6 | 39.9 | 176.7 | -60 | -157.4 | 120 | 0 | 0 | 115.5 | K391 | K391-E728 IonicContact NZ-OE1 3.74Å; K391-E728 PolarHBondContact NZ-OE1 3.24Å |
| 729 | G | 62.9 | Low | 53.6 | Low | 68 Ų | 68 | 117.9 Ų | 117.9 | 70% | 0.701 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 98 | -6.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | I727 | I727-G729 PolarHBondContact O-N 3.39Š|
| 730 | F | 49.6 | Very low | 53.9 | Low | 168 Ų | 168 | 116.9 Ų | 116.9 | 74% | 0.737 | 64% | 0.644 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -103.3 | 130.6 | 179.2 | -64.9 | -86.7 | 0 | 0 | 0 | 111.8 | I727 I732 | I727-F730 PolarHBondContact N-O 3.08Å; I727-F730 PolarHBondContact O-N 3.29Å; F730-I732 PolarHBondContact O-N 3.41Å |
| 731 | V | 67.1 | Low | 54 | Low | 87 Ų | 87 | 118.2 Ų | 118.2 | 53% | 0.527 | 65% | 0.649 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.7 | 103.4 | 179.7 | 179.5 | 0 | 0 | 0 | 0 | 108.4 | L723 I726 Q733 | L723-V731 HydrophobicContact CD1-CG1 3.51Å; L723-V731 HydrophobicContact CD2-CG1 4.08Å; L723-V731 HydrophobicContact CG-CG1 4.46Å; I726-V731 HydrophobicContact CD1-CG2 4.47Å; I726-V731 HydrophobicContact CG1-CG2 4.48Å; V731-Q733 PolarHBondContact O-N 2.86Å |
| 732 | I | 59.3 | Low | 53.8 | Low | 91 Ų | 91 | 115.4 Ų | 115.4 | 47% | 0.467 | 66% | 0.657 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.5 | 99 | 178 | -56.5 | 179.6 | 0 | 0 | 0 | 108.2 | L723 H725 I727 F730 | L723-I732 WeakPolarHBondContact CD1-O 3.28Å; H725-I732 PolarHBondContact O-N 2.88Å; I727-I732 HydrophobicContact CD1-CD1 4.33Å; F730-I732 PolarHBondContact O-N 3.41Å |
| 733 | Q | 50.8 | Low | 53.3 | Low | 127 Ų | 127 | 114.9 Ų | 114.9 | 59% | 0.593 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -90 | 116.8 | 177 | -165.2 | 163.4 | 92.7 | 0 | 0 | 109.3 | Q721 V731 G735 | Q721-Q733 VanDerWaalsContact NE2-CD 3.28Å; V731-Q733 PolarHBondContact O-N 2.86Å; Q733-G735 PolarHBondContact O-N 3.42Å |
| 734 | E | 58.5 | Low | 52.9 | Low | 149 Ų | 149 | 117 Ų | 117 | 70% | 0.696 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 130.1 | -177.4 | -170.7 | 168.7 | -171.1 | 0 | 0 | 111.2 | ||
| 735 | G | 54 | Low | 51.5 | Low | 60 Ų | 60 | 123 Ų | 123 | 62% | 0.619 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 139.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q733 E737 | Q733-G735 PolarHBondContact O-N 3.42Å; G735-E737 PolarHBondContact O-N 3.28Å |
| 736 | A | 47.7 | Very low | 50.6 | Low | 90 Ų | 90 | 124.8 Ų | 124.8 | 74% | 0.744 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -78.2 | 5.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 737 | E | 46.4 | Very low | 49.1 | Very low | 171 Ų | 171 | 127.3 Ų | 127.3 | 80% | 0.799 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -119.6 | 135.6 | 176.3 | -65.9 | -162 | 126.4 | 0 | 0 | 111.1 | G735 | G735-E737 PolarHBondContact O-N 3.28Š|
| 738 | P | 54.6 | Low | 47.6 | Very low | 122 Ų | 122 | 131.8 Ų | 131.8 | 79% | 0.792 | 75% | 0.75 | S | S | * | * | trans | -71.8 | 142.4 | 174.5 | 30.8 | -34.2 | 0 | 0 | 0 | 111.1 | ||||
| 739 | F | 33.4 | Very low | 46.1 | Very low | 195 Ų | 195 | 133.2 Ų | 133.2 | 86% | 0.855 | 76% | 0.757 | S | S | * | * | trans | -56.1 | 127.7 | -178.2 | -75 | -90.1 | 0 | 0 | 0 | 112.7 | V741 | F739-V741 PolarHBondContact O-N 2.97Å; F739-V741 VanDerWaalsContact O-N 3.16Å | ||
| 740 | P | 50.8 | Low | 44.6 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | trans | -71.6 | 109.9 | 179.4 | 27.5 | -33.7 | 0 | 0 | 0 | 111.4 | G742 | P740-G742 PolarHBondContact O-N 3.09Š| ||
| 741 | V | 44 | Very low | 43.7 | Very low | 136 Ų | 136 | 134.7 Ų | 134.7 | 82% | 0.824 | 76% | 0.756 | S | S | * | * | trans | -79.6 | 83.5 | 176.2 | -75.4 | 0 | 0 | 0 | 0 | 111.5 | F739 C743 | F739-V741 PolarHBondContact O-N 2.97Å; F739-V741 VanDerWaalsContact O-N 3.16Å; V741-C743 PolarHBondContact O-N 2.8Å; V741-C743 VanDerWaalsContact O-N 3.08Å | ||
| 742 | G | 41.4 | Very low | 41.9 | Very low | 76 Ų | 76 | 140.1 Ų | 140.1 | 78% | 0.784 | 77% | 0.773 | S | S | * | * | trans | -63.9 | 104.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | P740 | P740-G742 PolarHBondContact O-N 3.09Š| ||
| 743 | C | 33.9 | Very low | 40.7 | Very low | 117 Ų | 117 | 141.2 Ų | 141.2 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -77.6 | 133.3 | 167 | -66.9 | 0 | 0 | 0 | 0 | 109.9 | V741 Q745 | V741-C743 PolarHBondContact O-N 2.8Å; V741-C743 VanDerWaalsContact O-N 3.08Å; C743-Q745 PolarHBondContact O-N 3.01Å | ||
| 744 | S | 40.2 | Very low | 39.7 | Very low | 125 Ų | 125 | 142.9 Ų | 142.9 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | -64.4 | 121.7 | -174.7 | -52.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 745 | Q | 36.4 | Very low | 38.3 | Very low | 197 Ų | 197 | 144.3 Ų | 144.3 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | trans | -83.1 | 112.4 | 163.6 | -72.1 | -155.4 | 68.2 | 0 | 0 | 110.1 | C743 | C743-Q745 PolarHBondContact O-N 3.01Š| ||
| 746 | L | 40.1 | Very low | 37 | Very low | 156 Ų | 156 | 145.3 Ų | 145.3 | 82% | 0.817 | 81% | 0.814 | S | S | * | * | trans | -148.9 | 142.4 | 160.4 | -160.4 | 73.5 | 0 | 0 | 0 | 108.1 | ||||
| 747 | L | 34.9 | Very low | 36 | Very low | 157 Ų | 157 | 145 Ų | 145 | 82% | 0.822 | 82% | 0.82 | S | S | * | * | S | Bend | trans | 70.6 | 59.9 | 176.3 | -48.9 | -176.5 | 0 | 0 | 0 | 118 | ||
| 748 | K | 30.1 | Very low | 35.1 | Very low | 194 Ų | 194 | 141.3 Ų | 141.3 | 84% | 0.843 | 82% | 0.819 | S | S | * | * | trans | -152.8 | 78.8 | 134.9 | -154.4 | 70.4 | -174.6 | 169.7 | 0 | 114.2 | ||||
| 749 | E | 32 | Very low | 34.3 | Very low | 185 Ų | 185 | 141.4 Ų | 141.4 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | trans | -102.9 | 159.7 | 155.2 | -166.3 | 163.5 | 94.2 | 0 | 0 | 109.1 | ||||
| 750 | S | 31 | Very low | 33.9 | Very low | 78 Ų | 78 | 138.2 Ų | 138.2 | 55% | 0.545 | 82% | 0.821 | S | S | . | * | trans | 65.5 | 131.9 | -168.6 | -56.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 751 | E | 30.5 | Very low | 32.8 | Very low | 189 Ų | 189 | 135 Ų | 135 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | cis | -152 | -179.1 | 1.1 | -122.1 | 165.9 | 135.5 | 0 | 0 | 112.2 | ||||
| 752 | K | 29.3 | Very low | 32 | Very low | 202 Ų | 202 | 137.7 Ų | 137.7 | 88% | 0.878 | 82% | 0.815 | S | S | * | * | trans | -93 | 169.1 | -162.6 | -100.8 | -174.2 | 174.6 | 174.5 | 0 | 115.4 | ||||
| 753 | P | 35.6 | Very low | 31.2 | Very low | 114 Ų | 114 | 139.2 Ų | 139.2 | 74% | 0.74 | 81% | 0.813 | S | S | * | * | trans | -99.1 | 169.4 | -158.6 | 39.6 | -38.8 | 0 | 0 | 0 | 115.1 | ||||
| 754 | L | 28.5 | Very low | 31.1 | Very low | 161 Ų | 161 | 142.7 Ų | 142.7 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | trans | -146.5 | 170.1 | 154 | -111 | 169.6 | 0 | 0 | 0 | 112.3 | ||||
| 755 | Q | 29.1 | Very low | 30.6 | Very low | 180 Ų | 180 | 143 Ų | 143 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | trans | -92.7 | 162.5 | -155.1 | -58.1 | 154.8 | 24.9 | 0 | 0 | 114.9 | ||||
| 756 | G | 26.7 | Very low | 30.5 | Very low | 80 Ų | 80 | 141.7 Ų | 141.7 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | 123.8 | 133.8 | 124.9 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 757 | G | 27.2 | Very low | 30 | Very low | 83 Ų | 83 | 139 Ų | 139 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | trans | 95.5 | 107.9 | 146.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 758 | A | 26.8 | Very low | 29.8 | Very low | 95 Ų | 95 | 137.4 Ų | 137.4 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | -102.1 | 147 | 141.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 759 | P | 39.1 | Very low | 29.9 | Very low | 123 Ų | 123 | 135.8 Ų | 135.8 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | -123 | 158.3 | 93.5 | 1.2 | 21 | 0 | 0 | 0 | 111.6 | |||||
| 760 | S | 24.3 | Very low | 29.9 | Very low | 128 Ų | 128 | 131.9 Ų | 131.9 | 90% | 0.895 | 80% | 0.799 | S | S | * | * | 81.8 | 129 | 50.4 | -155.8 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 761 | G | 27.6 | Very low | 30.8 | Very low | 59 Ų | 59 | 133.8 Ų | 133.8 | 61% | 0.608 | 81% | 0.809 | S | S | * | * | trans | 129.3 | 122 | -166.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 762 | Q | 27.4 | Very low | 31.1 | Very low | 192 Ų | 192 | 128.6 Ų | 128.6 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | cis | 56.8 | 126 | 49.2 | -57.5 | -166.7 | 79.9 | 0 | 0 | 111.6 | ||||
| 763 | S | 25.5 | Very low | 31.2 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | cis | -161.4 | -171 | -1.3 | -167.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 764 | E | 30 | Very low | 31.2 | Very low | 191 Ų | 191 | 131.4 Ų | 131.4 | 89% | 0.893 | 81% | 0.807 | S | S | * | * | trans | 98.7 | 136.9 | 155.6 | -49.7 | -153.7 | 98.2 | 0 | 0 | 118.6 | ||||
| 765 | N | 29.8 | Very low | 31.4 | Very low | 130 Ų | 130 | 127.8 Ų | 127.8 | 70% | 0.695 | 80% | 0.796 | S | S | * | * | trans | -107.5 | 149 | 179.1 | -172 | -77.2 | 0 | 0 | 0 | 106.3 | ||||
| 766 | L | 34.4 | Very low | 32.1 | Very low | 170 Ų | 170 | 125.8 Ų | 125.8 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | trans | -171.2 | 151.6 | 130.7 | -101.2 | 162.2 | 0 | 0 | 0 | 111 | ||||
| 767 | S | 31 | Very low | 32.7 | Very low | 99 Ų | 99 | 127 Ų | 127 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | trans | -85.9 | 157.9 | -174.5 | -59.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 768 | S | 31 | Very low | 33.4 | Very low | 124 Ų | 124 | 130.1 Ų | 130.1 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | -152.4 | 151.5 | 141.9 | -85 | 0 | 0 | 0 | 0 | 111 | ||||
| 769 | N | 30.6 | Very low | 34.4 | Very low | 160 Ų | 160 | 134.4 Ų | 134.4 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | trans | -78.3 | 142.3 | -173.8 | -79.3 | -37.2 | 0 | 0 | 0 | 112.6 | ||||
| 770 | S | 32.2 | Very low | 34.8 | Very low | 104 Ų | 104 | 136.2 Ų | 136.2 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | 28.7 | 146.9 | 115.5 | -150.7 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 771 | P | 49.4 | Very low | 35.8 | Very low | 118 Ų | 118 | 136.5 Ų | 136.5 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | cis | -133.3 | 179.8 | -29.9 | 34.7 | -17.4 | 0 | 0 | 0 | 113 | ||||
| 772 | G | 37.3 | Very low | 37 | Very low | 80 Ų | 80 | 141.5 Ų | 141.5 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | 97.8 | 110.1 | 153.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 773 | R | 31.3 | Very low | 38.2 | Very low | 228 Ų | 228 | 141.1 Ų | 141.1 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | -152.6 | 122.4 | 151.6 | -177.3 | 166.5 | -177.4 | -133.3 | -2.2 | 109.7 | ||||
| 774 | D | 36.4 | Very low | 39.7 | Very low | 146 Ų | 146 | 139.9 Ų | 139.9 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | trans | -61 | 140.4 | 167.9 | -82.3 | -66.7 | 0 | 0 | 0 | 111.2 | ||||
| 775 | S | 32.9 | Very low | 41.9 | Very low | 86 Ų | 86 | 134.9 Ų | 134.9 | 60% | 0.601 | 76% | 0.759 | S | S | * | * | trans | -149 | 76.9 | 166.9 | -75.3 | 0 | 0 | 0 | 0 | 109.1 | S777 | S775-S777 PolarHBondContact O-N 3.06Š| ||
| 776 | T | 43.2 | Very low | 44.6 | Very low | 137 Ų | 137 | 132.6 Ų | 132.6 | 84% | 0.84 | 75% | 0.747 | S | S | * | * | trans | -62.1 | 74.7 | 167 | 47.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 777 | S | 40 | Very low | 47.2 | Very low | 106 Ų | 106 | 127.2 Ų | 127.2 | 74% | 0.741 | 72% | 0.718 | S | S | * | * | trans | -145.5 | 41.4 | -179.7 | -170.1 | 0 | 0 | 0 | 0 | 111.7 | S775 | S775-S777 PolarHBondContact O-N 3.06Š| ||
| 778 | M | 40.7 | Very low | 50.2 | Low | 149 Ų | 149 | 128 Ų | 128 | 73% | 0.734 | 71% | 0.709 | S | S | * | * | trans | -139.9 | 36.5 | 176.5 | -64.4 | -168 | -177.8 | 0 | 0 | 112.6 | ||||
| 779 | E | 47.8 | Very low | 53.2 | Low | 184 Ų | 184 | 122.1 Ų | 122.1 | 86% | 0.86 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -111.8 | 4.6 | -174 | -147.9 | 176.6 | 110.8 | 0 | 0 | 115.5 | ||
| 780 | L | 48.5 | Very low | 56 | Low | 162 Ų | 162 | 119 Ų | 119 | 85% | 0.848 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -102.6 | -32.4 | 174.7 | -136.4 | 73.2 | 0 | 0 | 0 | 114.5 | ||
| 781 | D | 45.2 | Very low | 58.8 | Low | 134 Ų | 134 | 117.8 Ų | 117.8 | 72% | 0.717 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -80.6 | -27.9 | -169.5 | -127.5 | -89.2 | 0 | 0 | 0 | 114.8 | K783 A784 | D781-K783 PolarHBondContact O-N 3.38Å; D781-A784 PolarHBondContact O-N 2.96Å |
| 782 | K | 52.8 | Low | 60.8 | Low | 164 Ų | 164 | 114.7 Ų | 114.7 | 71% | 0.713 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -65.7 | -8.6 | -175.1 | -73.9 | 169.3 | -178 | 155.2 | 0 | 114.4 | ||
| 783 | K | 52.1 | Low | 63.2 | Low | 184 Ų | 184 | 112.5 Ų | 112.5 | 80% | 0.8 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -90 | -16.9 | -178 | -146.8 | 166.6 | -173.8 | 172.7 | 0 | 113.7 | D781 N785 | D781-K783 PolarHBondContact O-N 3.38Å; K783-N785 PolarHBondContact O-N 3.15Å |
| 784 | A | 58.1 | Low | 66.1 | Low | 81 Ų | 81 | 108.9 Ų | 108.9 | 67% | 0.669 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -11.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | D781 | D781-A784 PolarHBondContact O-N 2.96Š|
| 785 | N | 74.9 | Confident | 68.8 | Low | 87 Ų | 87 | 108.9 Ų | 108.9 | 47% | 0.465 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -116.3 | 23.5 | -169.1 | -92.6 | -84.6 | 0 | 0 | 0 | 115.1 | K783 P797 A798 | K783-N785 PolarHBondContact O-N 3.15Å; N785-P797 CarbonylContact O-C 3.05Å; N785-P797 WeakPolarHBondContact O-CA 3.42Å; N785-A798 PolarHBondContact O-N 3.12Å |
| 786 | L | 86.5 | Confident | 71.4 | Confident | 82 Ų | 82 | 105.2 Ų | 105.2 | 43% | 0.429 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 115.5 | 173.7 | -74.4 | 75.1 | 0 | 0 | 0 | 111.4 | A796 | L786-A796 CarbonylContact C-O 3.53Å; L786-A796 WeakPolarHBondContact CA-O 3.5Å |
| 787 | L | 89.8 | Confident | 73.5 | Confident | 56 Ų | 56 | 101.2 Ų | 101.2 | 29% | 0.293 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 147.3 | 171.6 | -80.7 | 71.2 | 0 | 0 | 0 | 110.2 | Y795 A796 A798 F801 K805 | L787-Y795 CarbonylContact O-C 3.58Å; L787-Y795 WeakPolarHBondContact O-CA 3.3Å; L787-A796 PolarHBondContact N-O 3.29Å; L787-A796 PolarHBondContact O-N 3.44Å; L787-A798 HydrophobicContact CD1-CB 3.68Å; L787-F801 HydrophobicContact CB-CD1 4.43Å; L787-F801 HydrophobicContact CB-CD2 4.08Å; L787-F801 HydrophobicContact CB-CE1 4.06Å; L787-F801 HydrophobicContact CB-CE2 3.69Å; L787-F801 HydrophobicContact CB-CG 4.45Å; L787-F801 HydrophobicContact CB-CZ 3.68Å; L787-F801 WeakPolarHBondContact O-CE2 3.43Å; L787-F801 WeakPolarHBondContact O-CZ 3.48Å; L787-K805 HydrophobicContact CD2-CB 4.06Å; L787-K805 VanDerWaalsContact CD2-O 3.29Å; L787-K805 WeakPolarHBondContact CD2-O 3.28Å |
| 788 | K | 94.3 | Very high | 75.7 | Confident | 116 Ų | 116 | 97.7 Ų | 97.7 | 50% | 0.504 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 128.9 | 172.7 | -163.3 | -178.4 | -167.3 | 164.7 | 0 | 110 | E790 G793 Y795 | K788-E790 PolarHBondContact O-N 2.6Å; K788-G793 WeakPolarHBondContact CE-O 3.42Å; K788-G793 WeakPolarHBondContact CG-O 3.31Å; K788-Y795 HydrophobicContact CB-CD1 3.98Å; K788-Y795 HydrophobicContact CB-CE1 3.76Å; K788-Y795 HydrophobicContact CB-CG 4.48Å; K788-Y795 HydrophobicContact CD-CE1 4.24Å; K788-Y795 HydrophobicContact CD-CE2 3.98Å; K788-Y795 HydrophobicContact CG-CD1 4.37Å; K788-Y795 HydrophobicContact CG-CD2 4.29Å; K788-Y795 HydrophobicContact CG-CE1 4.06Å; K788-Y795 HydrophobicContact CG-CE2 3.95Å; K788-Y795 HydrophobicContact CG-CG 4.48Å |
| 789 | C | 93.4 | Very high | 77.7 | Confident | 0 Ų | 0 | 96.9 Ų | 96.9 | 0% | 0 | 50% | 0.499 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 123.4 | 172.3 | -179 | 0 | 0 | 0 | 0 | 110.1 | Y791 C792 G793 K794 F801 C808 | C789-Y791 PolarHBondContact O-N 3.34Å; C789-C792 VanDerWaalsContact CB-SG 3.52Å; C789-G793 VanDerWaalsContact O-CA 3.28Å; C789-G793 WeakPolarHBondContact O-CA 3.32Å; C789-G793 PolarHBondContact O-N 3.04Å; C789-K794 PolarHBondContact N-O 2.93Å; C789-F801 HydrophobicContact CB-CE1 4.19Å; C789-F801 HydrophobicContact CB-CZ 4.08Å; C789-C808 HydrophobicContact CB-CB 3.94Å; C789-C808 PolarHBondContact SG-N 3.05Å; C789-C808 VanDerWaalsContact SG-N 3.44Å; C789-C808 VanDerWaalsContact SG-SG 3.62Å |
| 790 | E | 89 | Confident | 79.2 | Confident | 95 Ų | 95 | 93.4 Ų | 93.4 | 44% | 0.444 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -19.5 | -174.8 | -154.3 | 179.3 | 140.3 | 0 | 0 | 113.4 | K788 R806 F807 Y816 | K788-E790 PolarHBondContact O-N 2.6Å; E790-R806 PolarHBondContact N-O 2.88Å; E790-R806 IonicContact OE1-CZ 3.11Å; E790-R806 IonicContact OE1-NH2 2.68Å; E790-R806 PolarHBondContact OE1-NH2 2.97Å; E790-R806 IonicContact OE2-CZ 2.7Å; E790-R806 IonicContact OE2-NE 3.96Å; E790-R806 PolarHBondContact OE2-NE 3.03Å; E790-R806 IonicContact OE2-NH2 2.76Å; E790-R806 PolarHBondContact OE2-NH2 3.38Å; E790-F807 HydrophobicContact CB-CE1 4.06Å; E790-Y816 HydrophobicContact CB-CE2 4.36Å; E790-Y816 HydrophobicContact CG-CE2 4Å; E790-Y816 WeakPolarHBondContact OE1-CE2 3.37Å; E790-Y816 PolarHBondContact OE1-OH 3.43Å |
| 791 | Y | 91 | Very high | 81.1 | Confident | 79 Ų | 79 | 86.1 Ų | 86.1 | 31% | 0.31 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -55.5 | 175.6 | -179.5 | -106 | 0 | 0 | 0 | 113.5 | C789 C812 R815 | C789-Y791 PolarHBondContact O-N 3.34Å; Y791-C812 HydrophobicContact CD1-CB 4Å; Y791-C812 HydrophobicContact CG-CB 4.3Å; Y791-R815 HydrophobicContact CD1-CB 4.26Å; Y791-R815 HydrophobicContact CD2-CB 4.08Å; Y791-R815 HydrophobicContact CE1-CB 3.77Å; Y791-R815 HydrophobicContact CE1-CG 4.31Å; Y791-R815 HydrophobicContact CE2-CB 3.58Å; Y791-R815 HydrophobicContact CG-CB 4.42Å; Y791-R815 VanDerWaalsContact CZ-CB 3.43Å; Y791-R815 VanDerWaalsContact OH-CD 3.23Å; Y791-R815 WeakPolarHBondContact OH-CD 3.46Å |
| 792 | C | 91.1 | Very high | 82.4 | Confident | 52 Ų | 52 | 89 Ų | 89 | 35% | 0.351 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 2 | -171.4 | 67.6 | 0 | 0 | 0 | 0 | 113.9 | C789 K794 C808 | C789-C792 VanDerWaalsContact CB-SG 3.52Å; C792-K794 PolarHBondContact O-N 3.33Å; C792-C808 VanDerWaalsContact SG-SG 3.7Å |
| 793 | G | 89.3 | Confident | 83.2 | Confident | 34 Ų | 34 | 85 Ų | 85 | 35% | 0.351 | 45% | 0.451 | S | S | . | . | trans | 68.2 | -10.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | K788 C789 | K788-G793 WeakPolarHBondContact CE-O 3.42Å; K788-G793 WeakPolarHBondContact CG-O 3.31Å; C789-G793 VanDerWaalsContact O-CA 3.28Å; C789-G793 WeakPolarHBondContact O-CA 3.32Å; C789-G793 PolarHBondContact O-N 3.04Å | ||
| 794 | K | 90.6 | Very high | 84.2 | Confident | 152 Ų | 152 | 79.2 Ų | 79.2 | 66% | 0.661 | 43% | 0.434 | S | S | * | . | trans | -73.7 | 141.8 | -175.6 | -58.5 | -160.7 | 177.4 | -166.7 | 0 | 111.8 | C789 C792 | C789-K794 PolarHBondContact N-O 2.93Å; C792-K794 PolarHBondContact O-N 3.33Å | ||
| 795 | Y | 93.3 | Very high | 85.4 | Confident | 146 Ų | 146 | 81.3 Ų | 81.3 | 57% | 0.573 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 134.1 | 172.6 | -66.6 | -100.1 | 0 | 0 | 0 | 109.5 | L787 K788 | L787-Y795 CarbonylContact O-C 3.58Å; L787-Y795 WeakPolarHBondContact O-CA 3.3Å; K788-Y795 HydrophobicContact CB-CD1 3.98Å; K788-Y795 HydrophobicContact CB-CE1 3.76Å; K788-Y795 HydrophobicContact CB-CG 4.48Å; K788-Y795 HydrophobicContact CD-CE1 4.24Å; K788-Y795 HydrophobicContact CD-CE2 3.98Å; K788-Y795 HydrophobicContact CG-CD1 4.37Å; K788-Y795 HydrophobicContact CG-CD2 4.29Å; K788-Y795 HydrophobicContact CG-CE1 4.06Å; K788-Y795 HydrophobicContact CG-CE2 3.95Å; K788-Y795 HydrophobicContact CG-CG 4.48Å |
| 796 | A | 88.1 | Confident | 86.2 | Confident | 10 Ų | 10 | 82.3 Ų | 82.3 | 8% | 0.083 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 155 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111 | L786 L787 F801 C808 | L786-A796 CarbonylContact C-O 3.53Å; L786-A796 WeakPolarHBondContact CA-O 3.5Å; L787-A796 PolarHBondContact N-O 3.29Å; L787-A796 PolarHBondContact O-N 3.44Å; A796-F801 HydrophobicContact CB-CE2 3.89Å; A796-F801 WeakPolarHBondContact O-CE2 3.46Å; A796-C808 HydrophobicContact CB-CB 4.35Å |
| 797 | P | 87.8 | Confident | 86.5 | Confident | 53 Ų | 53 | 79.2 Ų | 79.2 | 34% | 0.344 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 142.4 | 178.6 | -26.9 | 35.5 | 0 | 0 | 0 | 113 | N785 T799 Q800 | N785-P797 CarbonylContact O-C 3.05Å; N785-P797 WeakPolarHBondContact O-CA 3.42Å; P797-T799 PolarHBondContact O-N 3.23Å; P797-Q800 WeakPolarHBondContact O-CB 3.45Å; P797-Q800 PolarHBondContact O-N 2.86Å |
| 798 | A | 84.8 | Confident | 86.6 | Confident | 32 Ų | 32 | 78 Ų | 78 | 26% | 0.264 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -51.2 | -31.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | N785 L787 Q800 F801 | N785-A798 PolarHBondContact O-N 3.12Å; L787-A798 HydrophobicContact CD1-CB 3.68Å; A798-Q800 VanDerWaalsContact C-N 3.26Å; A798-Q800 PolarHBondContact O-N 3.43Å; A798-F801 PolarHBondContact O-N 3.39Å |
| 799 | T | 84 | Confident | 86.4 | Confident | 132 Ų | 132 | 74.7 Ų | 74.7 | 81% | 0.81 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -65 | -23.6 | 176.9 | 51.7 | 0 | 0 | 0 | 0 | 114.1 | P797 | P797-T799 PolarHBondContact O-N 3.23Š|
| 800 | Q | 79.4 | Confident | 86 | Confident | 110 Ų | 110 | 80.6 Ų | 80.6 | 51% | 0.514 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -81 | -20 | 176.2 | -59 | -171.7 | 1 | 0 | 0 | 112.4 | P797 A798 R802 | P797-Q800 WeakPolarHBondContact O-CB 3.45Å; P797-Q800 PolarHBondContact O-N 2.86Å; A798-Q800 VanDerWaalsContact C-N 3.26Å; A798-Q800 PolarHBondContact O-N 3.43Å; Q800-R802 PolarHBondContact O-N 2.82Å; Q800-R802 VanDerWaalsContact O-N 3.1Å |
| 801 | F | 88 | Confident | 86.1 | Confident | 9 Ų | 9 | 80.1 Ų | 80.1 | 4% | 0.039 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -81.4 | 90.3 | -179.6 | -76.1 | -109.3 | 0 | 0 | 0 | 111.6 | L787 C789 A796 A798 G803 K805 F807 C808 | L787-F801 HydrophobicContact CB-CD1 4.43Å; L787-F801 HydrophobicContact CB-CD2 4.08Å; L787-F801 HydrophobicContact CB-CE1 4.06Å; L787-F801 HydrophobicContact CB-CE2 3.69Å; L787-F801 HydrophobicContact CB-CG 4.45Å; L787-F801 HydrophobicContact CB-CZ 3.68Å; L787-F801 WeakPolarHBondContact O-CE2 3.43Å; L787-F801 WeakPolarHBondContact O-CZ 3.48Å; C789-F801 HydrophobicContact CB-CE1 4.19Å; C789-F801 HydrophobicContact CB-CZ 4.08Å; A796-F801 HydrophobicContact CB-CE2 3.89Å; A796-F801 WeakPolarHBondContact O-CE2 3.46Å; A798-F801 PolarHBondContact O-N 3.39Å; F801-G803 PolarHBondContact O-N 3.43Å; F801-G803 VanDerWaalsContact O-N 3.08Å; F801-K805 WeakPolarHBondContact CD1-O 3.49Å; F801-F807 VanDerWaalsContact CD1-O 3.32Å; F801-F807 WeakPolarHBondContact CD1-O 3.39Å; F801-C808 HydrophobicContact CD2-CB 4.36Å; F801-C808 HydrophobicContact CE1-CB 4.22Å; F801-C808 HydrophobicContact CE2-CB 3.91Å; F801-C808 HydrophobicContact CZ-CB 3.83Å |
| 802 | R | 72.8 | Confident | 86.2 | Confident | 195 Ų | 195 | 77 Ų | 77 | 74% | 0.736 | 42% | 0.417 | S | S | * | . | trans | -59.2 | 110.7 | 178.2 | -71.2 | -70.2 | -172 | 169.6 | 0.8 | 112.2 | Q800 S804 | Q800-R802 PolarHBondContact O-N 2.82Å; Q800-R802 VanDerWaalsContact O-N 3.1Å; R802-S804 PolarHBondContact O-N 3.29Å; R802-S804 PolarHBondContact O-OG 2.98Å | ||
| 803 | G | 68.4 | Low | 86.1 | Confident | 80 Ų | 80 | 75.7 Ų | 75.7 | 83% | 0.825 | 41% | 0.411 | S | S | * | . | S | Bend | trans | 68.6 | -62.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | F801 K805 | F801-G803 PolarHBondContact O-N 3.43Å; F801-G803 VanDerWaalsContact O-N 3.08Å; G803-K805 VanDerWaalsContact C-N 3.33Å; G803-K805 PolarHBondContact O-N 3.4Å |
| 804 | S | 74.4 | Confident | 86 | Confident | 63 Ų | 63 | 81.3 Ų | 81.3 | 44% | 0.441 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -71.8 | -16 | -171.9 | 63.3 | 0 | 0 | 0 | 0 | 115.9 | R802 R806 | R802-S804 PolarHBondContact O-N 3.29Å; R802-S804 PolarHBondContact O-OG 2.98Å; S804-R806 PolarHBondContact O-N 3.43Å |
| 805 | K | 83.6 | Confident | 85.8 | Confident | 124 Ų | 124 | 80.5 Ų | 80.5 | 54% | 0.539 | 42% | 0.418 | S | S | . | . | S | Bend | trans | 53.7 | -3.2 | -172 | -65.7 | -174.4 | 179.6 | 179.3 | 0 | 117.4 | L787 F801 G803 | L787-K805 HydrophobicContact CD2-CB 4.06Å; L787-K805 VanDerWaalsContact CD2-O 3.29Å; L787-K805 WeakPolarHBondContact CD2-O 3.28Å; F801-K805 WeakPolarHBondContact CD1-O 3.49Å; G803-K805 VanDerWaalsContact C-N 3.33Å; G803-K805 PolarHBondContact O-N 3.4Å |
| 806 | R | 91.1 | Very high | 85.4 | Confident | 108 Ų | 108 | 76.1 Ų | 76.1 | 41% | 0.408 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -96.2 | -23.3 | 178.6 | -66.6 | 173.8 | 64.6 | -158.2 | 1.7 | 114.4 | E790 S804 Y816 | E790-R806 PolarHBondContact N-O 2.88Å; E790-R806 IonicContact OE1-CZ 3.11Å; E790-R806 IonicContact OE1-NH2 2.68Å; E790-R806 PolarHBondContact OE1-NH2 2.97Å; E790-R806 IonicContact OE2-CZ 2.7Å; E790-R806 IonicContact OE2-NE 3.96Å; E790-R806 PolarHBondContact OE2-NE 3.03Å; E790-R806 IonicContact OE2-NH2 2.76Å; E790-R806 PolarHBondContact OE2-NH2 3.38Å; S804-R806 PolarHBondContact O-N 3.43Å; R806-Y816 PolarHBondContact NH2-OH 3.23Å |
| 807 | F | 92.9 | Very high | 85 | Confident | 18 Ų | 18 | 81.3 Ų | 81.3 | 8% | 0.079 | 43% | 0.427 | C | S | . | . | trans | -126.5 | 128.3 | -175.2 | -50.4 | -66.8 | 0 | 0 | 0 | 112.3 | E790 F801 S809 C812 A813 Y816 | E790-F807 HydrophobicContact CB-CE1 4.06Å; F801-F807 VanDerWaalsContact CD1-O 3.32Å; F801-F807 WeakPolarHBondContact CD1-O 3.39Å; F807-S809 PolarHBondContact O-N 2.93Å; F807-C812 HydrophobicContact CB-CB 4.07Å; F807-C812 HydrophobicContact CD1-CB 4.4Å; F807-A813 HydrophobicContact CB-CB 3.93Å; F807-A813 HydrophobicContact CD2-CB 3.49Å; F807-A813 VanDerWaalsContact CD2-CB 3.49Å; F807-A813 HydrophobicContact CE2-CB 4.21Å; F807-A813 HydrophobicContact CG-CB 3.74Å; F807-Y816 HydrophobicContact CD1-CG 4.49Å; F807-Y816 AromaticContact CE1-CD1 3.85Å; F807-Y816 HydrophobicContact CE1-CD1 3.85Å; F807-Y816 AromaticContact CE1-CD2 3.57Å; F807-Y816 HydrophobicContact CE1-CD2 3.57Å; F807-Y816 HydrophobicContact CE1-CE1 4.49Å; F807-Y816 HydrophobicContact CE1-CE2 4.22Å; F807-Y816 AromaticContact CE1-CG 3.36Å; F807-Y816 HydrophobicContact CE1-CG 3.36Å; F807-Y816 AromaticContact CZ-CD1 3.46Å; F807-Y816 HydrophobicContact CZ-CD1 3.46Å; F807-Y816 VanDerWaalsContact CZ-CD1 3.46Å; F807-Y816 HydrophobicContact CZ-CD2 4.01Å; F807-Y816 AromaticContact CZ-CE1 3.95Å; F807-Y816 HydrophobicContact CZ-CE1 3.95Å; F807-Y816 HydrophobicContact CZ-CE2 4.41Å; F807-Y816 AromaticContact CZ-CG 3.52Å; F807-Y816 HydrophobicContact CZ-CG 3.52Å | ||
| 808 | C | 92.3 | Very high | 84.3 | Confident | 31 Ų | 31 | 83.2 Ų | 83.2 | 21% | 0.209 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -73.1 | -6.7 | 178.2 | 68.9 | 0 | 0 | 0 | 0 | 113.6 | C789 C792 A796 F801 | C789-C808 HydrophobicContact CB-CB 3.94Å; C789-C808 PolarHBondContact SG-N 3.05Å; C789-C808 VanDerWaalsContact SG-N 3.44Å; C789-C808 VanDerWaalsContact SG-SG 3.62Å; C792-C808 VanDerWaalsContact SG-SG 3.7Å; A796-C808 HydrophobicContact CB-CB 4.35Å; F801-C808 HydrophobicContact CD2-CB 4.36Å; F801-C808 HydrophobicContact CE1-CB 4.22Å; F801-C808 HydrophobicContact CE2-CB 3.91Å; F801-C808 HydrophobicContact CZ-CB 3.83Å |
| 809 | S | 89.6 | Confident | 83.5 | Confident | 45 Ų | 45 | 84.5 Ų | 84.5 | 32% | 0.315 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -157.3 | 158.3 | 173.7 | 72.3 | 0 | 0 | 0 | 0 | 112.1 | F807 T811 C812 A813 | F807-S809 PolarHBondContact O-N 2.93Å; S809-T811 PolarHBondContact O-N 2.66Å; S809-C812 WeakPolarHBondContact O-CB 3.5Å; S809-C812 PolarHBondContact O-N 3.34Å; S809-C812 VanDerWaalsContact O-N 3.11Å; S809-C812 PolarHBondContact OG-N 3.4Å; S809-C812 PolarHBondContact OG-SG 2.99Å; S809-A813 PolarHBondContact O-N 2.92Å; S809-A813 VanDerWaalsContact O-N 3.1Å |
| 810 | M | 85.7 | Confident | 82.4 | Confident | 124 Ų | 124 | 79.3 Ų | 79.3 | 61% | 0.611 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -60 | -30.6 | 174.2 | -146.5 | 70.9 | 75.4 | 0 | 0 | 112 | A813 K814 | M810-A813 PolarHBondContact O-N 2.86Å; M810-K814 WeakPolarHBondContact O-CB 3.23Å; M810-K814 WeakPolarHBondContact O-CG 3.4Å; M810-K814 PolarHBondContact O-N 3.49Å |
| 811 | T | 90.4 | Very high | 81.7 | Confident | 86 Ų | 86 | 76.3 Ų | 76.3 | 53% | 0.528 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66.5 | -42.6 | 174.8 | -47.9 | 0 | 0 | 0 | 0 | 111.6 | S809 K814 R815 | S809-T811 PolarHBondContact O-N 2.66Å; T811-K814 PolarHBondContact O-N 3.45Å; T811-R815 WeakPolarHBondContact O-CG 3.22Å; T811-R815 PolarHBondContact O-N 3.39Å |
| 812 | C | 92.1 | Very high | 80.4 | Confident | 12 Ų | 12 | 81.2 Ų | 81.2 | 8% | 0.081 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 174.8 | -68.9 | 0 | 0 | 0 | 0 | 111.5 | Y791 F807 S809 R815 Y816 | Y791-C812 HydrophobicContact CD1-CB 4Å; Y791-C812 HydrophobicContact CG-CB 4.3Å; F807-C812 HydrophobicContact CB-CB 4.07Å; F807-C812 HydrophobicContact CD1-CB 4.4Å; S809-C812 WeakPolarHBondContact O-CB 3.5Å; S809-C812 PolarHBondContact O-N 3.34Å; S809-C812 VanDerWaalsContact O-N 3.11Å; S809-C812 PolarHBondContact OG-N 3.4Å; S809-C812 PolarHBondContact OG-SG 2.99Å; C812-R815 PolarHBondContact O-N 3.26Å; C812-Y816 VanDerWaalsContact O-CB 3.27Å; C812-Y816 WeakPolarHBondContact O-CB 3.39Å; C812-Y816 PolarHBondContact O-N 3.49Å |
| 813 | A | 89.6 | Confident | 80.1 | Confident | 26 Ų | 26 | 77.4 Ų | 77.4 | 22% | 0.215 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -60.9 | -46.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | F807 S809 M810 N817 | F807-A813 HydrophobicContact CB-CB 3.93Å; F807-A813 HydrophobicContact CD2-CB 3.49Å; F807-A813 VanDerWaalsContact CD2-CB 3.49Å; F807-A813 HydrophobicContact CE2-CB 4.21Å; F807-A813 HydrophobicContact CG-CB 3.74Å; S809-A813 PolarHBondContact O-N 2.92Å; S809-A813 VanDerWaalsContact O-N 3.1Å; M810-A813 PolarHBondContact O-N 2.86Å; A813-N817 PolarHBondContact O-N 3Å; A813-N817 VanDerWaalsContact O-N 3.09Å |
| 814 | K | 87.9 | Confident | 79.4 | Confident | 152 Ų | 152 | 80.4 Ų | 80.4 | 66% | 0.661 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -62.1 | -46.9 | 177.2 | -76.8 | -179.5 | 177.2 | -173.9 | 0 | 112.2 | M810 T811 N817 V818 | M810-K814 WeakPolarHBondContact O-CB 3.23Å; M810-K814 WeakPolarHBondContact O-CG 3.4Å; M810-K814 PolarHBondContact O-N 3.49Å; T811-K814 PolarHBondContact O-N 3.45Å; K814-N817 PolarHBondContact O-N 3.41Å; K814-V818 PolarHBondContact O-N 3.47Å |
| 815 | R | 85.7 | Confident | 79 | Confident | 135 Ų | 135 | 85.5 Ų | 85.5 | 51% | 0.509 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.7 | -43.6 | 178.8 | -69.6 | -170.7 | -179 | -157 | 1.2 | 111.9 | Y791 T811 C812 N817 V818 S819 | Y791-R815 HydrophobicContact CD1-CB 4.26Å; Y791-R815 HydrophobicContact CD2-CB 4.08Å; Y791-R815 HydrophobicContact CE1-CB 3.77Å; Y791-R815 HydrophobicContact CE1-CG 4.31Å; Y791-R815 HydrophobicContact CE2-CB 3.58Å; Y791-R815 HydrophobicContact CG-CB 4.42Å; Y791-R815 VanDerWaalsContact CZ-CB 3.43Å; Y791-R815 VanDerWaalsContact OH-CD 3.23Å; Y791-R815 WeakPolarHBondContact OH-CD 3.46Å; T811-R815 WeakPolarHBondContact O-CG 3.22Å; T811-R815 PolarHBondContact O-N 3.39Å; C812-R815 PolarHBondContact O-N 3.26Å; R815-N817 VanDerWaalsContact C-N 3.33Å; R815-N817 PolarHBondContact O-N 3.02Å; R815-V818 PolarHBondContact O-N 3.44Å; R815-V818 VanDerWaalsContact O-N 3.15Å; R815-S819 PolarHBondContact O-N 3.48Å; R815-S819 PolarHBondContact O-OG 2.95Å |
| 816 | Y | 84.3 | Confident | 78 | Confident | 54 Ų | 54 | 84.3 Ų | 84.3 | 21% | 0.212 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -56.9 | -43.7 | 175.8 | -179.3 | -83.5 | 0 | 0 | 0 | 112.6 | E790 R806 F807 C812 V818 S819 C820 | E790-Y816 HydrophobicContact CB-CE2 4.36Å; E790-Y816 HydrophobicContact CG-CE2 4Å; E790-Y816 WeakPolarHBondContact OE1-CE2 3.37Å; E790-Y816 PolarHBondContact OE1-OH 3.43Å; R806-Y816 PolarHBondContact NH2-OH 3.23Å; F807-Y816 HydrophobicContact CD1-CG 4.49Å; F807-Y816 AromaticContact CE1-CD1 3.85Å; F807-Y816 HydrophobicContact CE1-CD1 3.85Å; F807-Y816 AromaticContact CE1-CD2 3.57Å; F807-Y816 HydrophobicContact CE1-CD2 3.57Å; F807-Y816 HydrophobicContact CE1-CE1 4.49Å; F807-Y816 HydrophobicContact CE1-CE2 4.22Å; F807-Y816 AromaticContact CE1-CG 3.36Å; F807-Y816 HydrophobicContact CE1-CG 3.36Å; F807-Y816 AromaticContact CZ-CD1 3.46Å; F807-Y816 HydrophobicContact CZ-CD1 3.46Å; F807-Y816 VanDerWaalsContact CZ-CD1 3.46Å; F807-Y816 HydrophobicContact CZ-CD2 4.01Å; F807-Y816 AromaticContact CZ-CE1 3.95Å; F807-Y816 HydrophobicContact CZ-CE1 3.95Å; F807-Y816 HydrophobicContact CZ-CE2 4.41Å; F807-Y816 AromaticContact CZ-CG 3.52Å; F807-Y816 HydrophobicContact CZ-CG 3.52Å; C812-Y816 VanDerWaalsContact O-CB 3.27Å; C812-Y816 WeakPolarHBondContact O-CB 3.39Å; C812-Y816 PolarHBondContact O-N 3.49Å; Y816-V818 VanDerWaalsContact C-N 3.29Å; Y816-V818 PolarHBondContact O-N 3.2Å; Y816-S819 PolarHBondContact O-N 3.38Å; Y816-C820 HydrophobicContact CE1-CB 4.34Å; Y816-C820 WeakPolarHBondContact CE1-SG 3.4Å; Y816-C820 PolarHBondContact O-N 3.26Å; Y816-C820 PolarHBondContact OH-SG 3.28Å; Y816-C820 VanDerWaalsContact OH-SG 3.36Å |
| 817 | N | 81.3 | Confident | 76.5 | Confident | 119 Ų | 119 | 84.8 Ų | 84.8 | 64% | 0.636 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -59.2 | -40.9 | 178.3 | -173.4 | -89.3 | 0 | 0 | 0 | 112 | A813 K814 R815 S821 | A813-N817 PolarHBondContact O-N 3Å; A813-N817 VanDerWaalsContact O-N 3.09Å; K814-N817 PolarHBondContact O-N 3.41Å; R815-N817 VanDerWaalsContact C-N 3.33Å; R815-N817 PolarHBondContact O-N 3.02Å; N817-S821 WeakPolarHBondContact O-CB 3.5Å; N817-S821 PolarHBondContact O-N 3.35Å |
| 818 | V | 72.4 | Confident | 75.2 | Confident | 93 Ų | 93 | 93.6 Ų | 93.6 | 56% | 0.564 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -66.9 | -44.8 | 174.1 | 178.3 | 0 | 0 | 0 | 0 | 111.5 | K814 R815 Y816 S821 H822 | K814-V818 PolarHBondContact O-N 3.47Å; R815-V818 PolarHBondContact O-N 3.44Å; R815-V818 VanDerWaalsContact O-N 3.15Å; Y816-V818 VanDerWaalsContact C-N 3.29Å; Y816-V818 PolarHBondContact O-N 3.2Å; V818-S821 WeakPolarHBondContact O-CB 3.44Å; V818-S821 PolarHBondContact O-N 2.94Å; V818-H822 PolarHBondContact O-N 2.79Å |
| 819 | S | 68.6 | Low | 73.9 | Confident | 59 Ų | 59 | 99.3 Ų | 99.3 | 41% | 0.413 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62 | -44.1 | 178.2 | -62.4 | 0 | 0 | 0 | 0 | 112.7 | R815 Y816 H822 Q823 | R815-S819 PolarHBondContact O-N 3.48Å; R815-S819 PolarHBondContact O-OG 2.95Å; Y816-S819 PolarHBondContact O-N 3.38Å; S819-H822 WeakPolarHBondContact O-CB 3.46Å; S819-H822 PolarHBondContact O-N 3.3Å; S819-H822 VanDerWaalsContact O-N 3.13Å; S819-Q823 PolarHBondContact O-N 3.48Å |
| 820 | C | 60.7 | Low | 72.9 | Confident | 22 Ų | 22 | 104.3 Ų | 104.3 | 15% | 0.149 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -66.3 | -36.3 | 173.4 | -76 | 0 | 0 | 0 | 0 | 112.3 | Y816 H822 Q823 F824 | Y816-C820 HydrophobicContact CE1-CB 4.34Å; Y816-C820 WeakPolarHBondContact CE1-SG 3.4Å; Y816-C820 PolarHBondContact O-N 3.26Å; Y816-C820 PolarHBondContact OH-SG 3.28Å; Y816-C820 VanDerWaalsContact OH-SG 3.36Å; C820-H822 PolarHBondContact O-N 3.36Å; C820-Q823 PolarHBondContact O-N 3.34Å; C820-F824 WeakPolarHBondContact O-CB 3.28Å; C820-F824 WeakPolarHBondContact O-CD2 3.49Å; C820-F824 PolarHBondContact O-N 3.31Å |
| 821 | S | 63.6 | Low | 71.9 | Confident | 47 Ų | 47 | 104.7 Ų | 104.7 | 33% | 0.329 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60 | -33.3 | 171.9 | -165.4 | 0 | 0 | 0 | 0 | 111.8 | N817 V818 R825 | N817-S821 WeakPolarHBondContact O-CB 3.5Å; N817-S821 PolarHBondContact O-N 3.35Å; V818-S821 WeakPolarHBondContact O-CB 3.44Å; V818-S821 PolarHBondContact O-N 2.94Å; S821-R825 WeakPolarHBondContact O-CD 3.33Å; S821-R825 WeakPolarHBondContact O-CG 3.5Å; S821-R825 PolarHBondContact O-N 3.42Å; S821-R825 PolarHBondContact O-NE 3.24Å; S821-R825 PolarHBondContact OG-NE 3.02Å; S821-R825 PolarHBondContact OG-NH2 3.02Å |
| 822 | H | 61.6 | Low | 70.7 | Confident | 112 Ų | 112 | 107.2 Ų | 107.2 | 52% | 0.519 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70.3 | -49.2 | 172.1 | -166.6 | -118.4 | 0 | 0 | 0 | 111.9 | V818 S819 C820 F824 R825 L826 | V818-H822 PolarHBondContact O-N 2.79Å; S819-H822 WeakPolarHBondContact O-CB 3.46Å; S819-H822 PolarHBondContact O-N 3.3Å; S819-H822 VanDerWaalsContact O-N 3.13Å; C820-H822 PolarHBondContact O-N 3.36Å; H822-F824 PolarHBondContact O-N 3.43Å; H822-R825 WeakPolarHBondContact O-CB 3.47Å; H822-R825 PolarHBondContact O-N 3.49Å; H822-R825 VanDerWaalsContact O-N 3.1Å; H822-L826 PolarHBondContact O-N 3.1Å |
| 823 | Q | 65.1 | Low | 69.3 | Low | 116 Ų | 116 | 112.6 Ų | 112.6 | 54% | 0.542 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.4 | -40.6 | -179.4 | -163.9 | 179.7 | 22.7 | 0 | 0 | 112.7 | S819 C820 L826 Q827 | S819-Q823 PolarHBondContact O-N 3.48Å; C820-Q823 PolarHBondContact O-N 3.34Å; Q823-L826 PolarHBondContact O-N 2.94Å; Q823-Q827 PolarHBondContact O-N 3.26Å |
| 824 | F | 55 | Low | 67.5 | Low | 142 Ų | 142 | 118 Ų | 118 | 62% | 0.623 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -68 | -33.9 | 174.4 | -90.9 | -80.6 | 0 | 0 | 0 | 113.1 | C820 H822 R828 | C820-F824 WeakPolarHBondContact O-CB 3.28Å; C820-F824 WeakPolarHBondContact O-CD2 3.49Å; C820-F824 PolarHBondContact O-N 3.31Å; H822-F824 PolarHBondContact O-N 3.43Å; F824-R828 WeakPolarHBondContact O-CB 3.29Å; F824-R828 PolarHBondContact O-N 3.45Å |
| 825 | R | 65.8 | Low | 66.2 | Low | 170 Ų | 170 | 117.2 Ų | 117.2 | 64% | 0.642 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.2 | -41.6 | 171.3 | -72.5 | 171 | -145.3 | -149.7 | 3.4 | 111.2 | S821 H822 R828 K829 | S821-R825 WeakPolarHBondContact O-CD 3.33Å; S821-R825 WeakPolarHBondContact O-CG 3.5Å; S821-R825 PolarHBondContact O-N 3.42Å; S821-R825 PolarHBondContact O-NE 3.24Å; S821-R825 PolarHBondContact OG-NE 3.02Å; S821-R825 PolarHBondContact OG-NH2 3.02Å; H822-R825 WeakPolarHBondContact O-CB 3.47Å; H822-R825 PolarHBondContact O-N 3.49Å; H822-R825 VanDerWaalsContact O-N 3.1Å; R825-R828 PolarHBondContact O-N 3.28Å; R825-K829 PolarHBondContact O-N 2.92Å |
| 826 | L | 63.7 | Low | 64.7 | Low | 100 Ų | 100 | 116.8 Ų | 116.8 | 52% | 0.524 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.9 | -41.4 | 178.2 | -137.8 | 70.5 | 0 | 0 | 0 | 111.6 | H822 Q823 K829 K830 | H822-L826 PolarHBondContact O-N 3.1Å; Q823-L826 PolarHBondContact O-N 2.94Å; L826-K829 PolarHBondContact O-N 3.13Å; L826-K830 WeakPolarHBondContact O-CB 3.5Å; L826-K830 PolarHBondContact O-N 3.47Å |
| 827 | Q | 59.3 | Low | 63.4 | Low | 117 Ų | 117 | 116.6 Ų | 116.6 | 55% | 0.547 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62 | -42.2 | 169.8 | -81.4 | -168.7 | -12.9 | 0 | 0 | 112.2 | Q823 K829 K830 M831 | Q823-Q827 PolarHBondContact O-N 3.26Å; Q827-K829 VanDerWaalsContact C-N 3.35Å; Q827-K829 PolarHBondContact O-N 2.94Å; Q827-K830 PolarHBondContact O-N 2.99Å; Q827-M831 WeakPolarHBondContact O-CB 3.5Å; Q827-M831 PolarHBondContact O-N 3.46Å |
| 828 | R | 64.2 | Low | 62.2 | Low | 204 Ų | 204 | 115 Ų | 115 | 77% | 0.77 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.1 | -38.9 | 175.5 | -177.9 | 178.2 | -80.6 | -175.6 | -5.2 | 111.9 | F824 R825 K832 | F824-R828 WeakPolarHBondContact O-CB 3.29Å; F824-R828 PolarHBondContact O-N 3.45Å; R825-R828 PolarHBondContact O-N 3.28Å; R828-K832 WeakPolarHBondContact O-CB 3.27Å; R828-K832 PolarHBondContact O-N 2.88Å |
| 829 | K | 66.3 | Low | 61.3 | Low | 150 Ų | 150 | 119.1 Ų | 119.1 | 65% | 0.652 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -61.5 | -50.7 | 172.9 | -169 | 178.6 | 178.7 | -175.8 | 0 | 110.4 | R825 L826 Q827 M831 K832 E833 | R825-K829 PolarHBondContact O-N 2.92Å; L826-K829 PolarHBondContact O-N 3.13Å; Q827-K829 VanDerWaalsContact C-N 3.35Å; Q827-K829 PolarHBondContact O-N 2.94Å; K829-M831 PolarHBondContact O-N 2.93Å; K829-K832 PolarHBondContact O-N 2.89Å; K829-E833 WeakPolarHBondContact O-CB 3.36Å; K829-E833 PolarHBondContact O-N 3.28Å |
| 830 | K | 68.2 | Low | 60.6 | Low | 150 Ų | 150 | 119 Ų | 119 | 65% | 0.652 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62.6 | -37.8 | 178.5 | -171.2 | 169 | -176.1 | 171.8 | 0 | 113.4 | L826 Q827 F834 | L826-K830 WeakPolarHBondContact O-CB 3.5Å; L826-K830 PolarHBondContact O-N 3.47Å; Q827-K830 PolarHBondContact O-N 2.99Å; K830-F834 WeakPolarHBondContact O-CB 3.49Å; K830-F834 PolarHBondContact O-N 3.2Å |
| 831 | M | 63.5 | Low | 60.2 | Low | 133 Ų | 133 | 125.7 Ų | 125.7 | 66% | 0.655 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65.5 | -44.6 | 173.1 | -104.9 | -160.5 | 76.5 | 0 | 0 | 111.9 | Q827 K829 F834 Q835 | Q827-M831 WeakPolarHBondContact O-CB 3.5Å; Q827-M831 PolarHBondContact O-N 3.46Å; K829-M831 PolarHBondContact O-N 2.93Å; M831-F834 PolarHBondContact O-N 3.33Å; M831-Q835 WeakPolarHBondContact O-CB 3.32Å; M831-Q835 PolarHBondContact O-N 3.12Å |
| 832 | K | 66.9 | Low | 59.7 | Low | 139 Ų | 139 | 129 Ų | 129 | 60% | 0.604 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -60.2 | -47.9 | 177.4 | -172.5 | -174.4 | 174.8 | -168.3 | 0 | 110.5 | R828 K829 F834 Q835 E836 | R828-K832 WeakPolarHBondContact O-CB 3.27Å; R828-K832 PolarHBondContact O-N 2.88Å; K829-K832 PolarHBondContact O-N 2.89Å; K832-F834 PolarHBondContact O-N 3.09Å; K832-Q835 WeakPolarHBondContact O-CB 3.45Å; K832-Q835 PolarHBondContact O-N 3.06Å; K832-Q835 VanDerWaalsContact O-N 3.16Å; K832-E836 PolarHBondContact O-N 3.1Å |
| 833 | E | 61.9 | Low | 59.2 | Low | 125 Ų | 125 | 134.1 Ų | 134.1 | 58% | 0.584 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -59.3 | -44.1 | 177.2 | -172.1 | 178.7 | 169.9 | 0 | 0 | 112.4 | K829 Q835 E836 A837 | K829-E833 WeakPolarHBondContact O-CB 3.36Å; K829-E833 PolarHBondContact O-N 3.28Å; E833-Q835 VanDerWaalsContact C-N 3.32Å; E833-Q835 PolarHBondContact O-N 2.92Å; E833-E836 PolarHBondContact O-N 3.3Å; E833-A837 WeakPolarHBondContact O-CB 3.35Å; E833-A837 PolarHBondContact O-N 3.36Å |
| 834 | F | 51.2 | Low | 58.4 | Low | 139 Ų | 139 | 139 Ų | 139 | 61% | 0.61 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -66.6 | -33.6 | 175.8 | -152.9 | -95.1 | 0 | 0 | 0 | 112.5 | K830 M831 K832 N838 | K830-F834 WeakPolarHBondContact O-CB 3.49Å; K830-F834 PolarHBondContact O-N 3.2Å; M831-F834 PolarHBondContact O-N 3.33Å; K832-F834 PolarHBondContact O-N 3.09Å; F834-N838 WeakPolarHBondContact O-CB 3.25Å; F834-N838 PolarHBondContact O-N 3.25Å |
| 835 | Q | 60.9 | Low | 58.2 | Low | 136 Ų | 136 | 143.9 Ų | 143.9 | 64% | 0.636 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -71.4 | -38.5 | 175.1 | -169 | 157 | 31 | 0 | 0 | 111.9 | M831 K832 E833 N838 Y839 | M831-Q835 WeakPolarHBondContact O-CB 3.32Å; M831-Q835 PolarHBondContact O-N 3.12Å; K832-Q835 WeakPolarHBondContact O-CB 3.45Å; K832-Q835 PolarHBondContact O-N 3.06Å; K832-Q835 VanDerWaalsContact O-N 3.16Å; E833-Q835 VanDerWaalsContact C-N 3.32Å; E833-Q835 PolarHBondContact O-N 2.92Å; Q835-N838 WeakPolarHBondContact O-CB 3.4Å; Q835-N838 PolarHBondContact O-N 3.11Å; Q835-Y839 PolarHBondContact O-N 3.23Å |
| 836 | E | 53.7 | Low | 57 | Low | 126 Ų | 126 | 139 Ų | 139 | 59% | 0.589 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -64.8 | -44 | 173.9 | -135.3 | 163.3 | 125.4 | 0 | 0 | 111.2 | K832 E833 N838 Y839 A840 | K832-E836 PolarHBondContact O-N 3.1Å; E833-E836 PolarHBondContact O-N 3.3Å; E836-N838 VanDerWaalsContact C-N 3.26Å; E836-N838 PolarHBondContact O-N 3.11Å; E836-Y839 WeakPolarHBondContact O-CB 3.3Å; E836-Y839 PolarHBondContact O-N 2.97Å; E836-A840 PolarHBondContact O-N 3.48Å |
| 837 | A | 58 | Low | 56.2 | Low | 49 Ų | 49 | 141 Ų | 141 | 41% | 0.405 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -63.1 | -29.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E833 R841 | E833-A837 WeakPolarHBondContact O-CB 3.35Å; E833-A837 PolarHBondContact O-N 3.36Å; A837-R841 PolarHBondContact O-N 2.95Å |
| 838 | N | 56 | Low | 55.8 | Low | 86 Ų | 86 | 147 Ų | 147 | 46% | 0.46 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -73.8 | -42.2 | 174.2 | -148 | 2 | 0 | 0 | 0 | 111.1 | F834 Q835 E836 A840 R841 V842 | F834-N838 WeakPolarHBondContact O-CB 3.25Å; F834-N838 PolarHBondContact O-N 3.25Å; Q835-N838 WeakPolarHBondContact O-CB 3.4Å; Q835-N838 PolarHBondContact O-N 3.11Å; E836-N838 VanDerWaalsContact C-N 3.26Å; E836-N838 PolarHBondContact O-N 3.11Å; N838-A840 VanDerWaalsContact C-N 3.27Å; N838-A840 PolarHBondContact O-N 2.92Å; N838-R841 PolarHBondContact O-N 3.02Å; N838-V842 PolarHBondContact O-N 2.8Å |
| 839 | Y | 52.2 | Low | 54.6 | Low | 180 Ų | 180 | 149.4 Ų | 149.4 | 71% | 0.706 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -59 | -38.5 | 173.5 | -143.6 | -109.5 | 0 | 0 | 0 | 111.9 | Q835 E836 R841 V842 | Q835-Y839 PolarHBondContact O-N 3.23Å; E836-Y839 WeakPolarHBondContact O-CB 3.3Å; E836-Y839 PolarHBondContact O-N 2.97Å; Y839-R841 VanDerWaalsContact C-N 3.34Å; Y839-R841 PolarHBondContact O-N 3.37Å; Y839-V842 PolarHBondContact O-N 3.07Å |
| 840 | A | 54.9 | Low | 53.1 | Low | 55 Ų | 55 | 147.5 Ų | 147.5 | 46% | 0.455 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -66.3 | -29.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | E836 N838 | E836-A840 PolarHBondContact O-N 3.48Å; N838-A840 VanDerWaalsContact C-N 3.27Å; N838-A840 PolarHBondContact O-N 2.92Å |
| 841 | R | 53.2 | Low | 52.2 | Low | 163 Ų | 163 | 146 Ų | 146 | 62% | 0.615 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -74.7 | -37.3 | 175.4 | -86 | -165.8 | -85.7 | -173.4 | -6.6 | 112.9 | A837 N838 Y839 R843 R844 | A837-R841 PolarHBondContact O-N 2.95Å; N838-R841 PolarHBondContact O-N 3.02Å; Y839-R841 VanDerWaalsContact C-N 3.34Å; Y839-R841 PolarHBondContact O-N 3.37Å; R841-R843 PolarHBondContact O-N 3.38Å; R841-R844 PolarHBondContact O-N 3.47Å; R841-R844 VanDerWaalsContact O-N 3.07Å |
| 842 | V | 52.8 | Low | 51.6 | Low | 116 Ų | 116 | 143.8 Ų | 143.8 | 70% | 0.703 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -59.1 | -34.4 | 178.3 | 176.2 | 0 | 0 | 0 | 0 | 112 | N838 Y839 R844 | N838-V842 PolarHBondContact O-N 2.8Å; Y839-V842 PolarHBondContact O-N 3.07Å; V842-R844 PolarHBondContact O-N 3.19Å |
| 843 | R | 49.9 | Very low | 50.3 | Low | 220 Ų | 220 | 145.1 Ų | 145.1 | 83% | 0.83 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -9.2 | 176.9 | -74.7 | -77.3 | -174.8 | 144.1 | 1 | 115.2 | R841 | R841-R843 PolarHBondContact O-N 3.38Š|
| 844 | R | 49.3 | Very low | 49.6 | Very low | 218 Ų | 218 | 146.7 Ų | 146.7 | 82% | 0.823 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.8 | 25.6 | -173.8 | -60.4 | -160.3 | -168.1 | -158 | 7.3 | 115.8 | R841 V842 | R841-R844 PolarHBondContact O-N 3.47Å; R841-R844 VanDerWaalsContact O-N 3.07Å; V842-R844 PolarHBondContact O-N 3.19Å |
| 845 | R | 50.3 | Low | 49.3 | Very low | 245 Ų | 245 | 144 Ų | 144 | 93% | 0.925 | 72% | 0.72 | S | S | * | * | trans | -125.8 | 98.2 | 166.7 | -74.9 | -170.6 | 174.2 | -172.5 | -0.7 | 111.6 | ||||
| 846 | G | 39.6 | Very low | 48.6 | Very low | 69 Ų | 69 | 148.3 Ų | 148.3 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | trans | -152.5 | 154.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 847 | P | 47.6 | Very low | 48.2 | Very low | 140 Ų | 140 | 147 Ų | 147 | 91% | 0.909 | 74% | 0.741 | S | S | * | * | trans | -81.3 | 158.7 | -160.3 | -17.1 | 34.2 | 0 | 0 | 0 | 116.7 | ||||
| 848 | R | 51.5 | Low | 47.8 | Very low | 245 Ų | 245 | 153.7 Ų | 153.7 | 93% | 0.925 | 76% | 0.761 | S | S | * | * | trans | -84.9 | 135 | -177.4 | -69.4 | -140.2 | -75.2 | -159.9 | -3.6 | 115.1 | ||||
| 849 | R | 38.5 | Very low | 47.5 | Very low | 253 Ų | 253 | 156.5 Ų | 156.5 | 96% | 0.955 | 78% | 0.775 | S | S | * | * | trans | -157.7 | 152.3 | 148.7 | -67.9 | -165.3 | 174.4 | 147.3 | 0 | 107.5 | ||||
| 850 | S | 35.4 | Very low | 46.9 | Very low | 110 Ų | 110 | 157.6 Ų | 157.6 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | cis | -147.8 | 162.7 | -19.1 | -166.2 | 0 | 0 | 0 | 0 | 108.3 | S852 | S850-S852 PolarHBondContact O-N 3.07Š| ||
| 851 | S | 48.5 | Very low | 45.9 | Very low | 119 Ų | 119 | 158.5 Ų | 158.5 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -100.5 | 55.5 | -159.4 | 59.2 | 0 | 0 | 0 | 0 | 116.3 | ||
| 852 | S | 50.8 | Low | 45.1 | Very low | 87 Ų | 87 | 159.7 Ų | 159.7 | 61% | 0.608 | 81% | 0.811 | S | S | * | * | trans | -124.9 | -23 | -174.6 | -54.1 | 0 | 0 | 0 | 0 | 116.9 | S850 | S850-S852 PolarHBondContact O-N 3.07Š| ||
| 853 | E | 39.5 | Very low | 44 | Very low | 166 Ų | 166 | 164.2 Ų | 164.2 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -69.9 | -40.1 | -173.3 | -135.2 | 69 | -151.9 | 0 | 0 | 113.6 | A855 R856 | E853-A855 PolarHBondContact O-N 3.27Å; E853-A855 VanDerWaalsContact O-N 3.12Å; E853-R856 PolarHBondContact O-N 3.44Å |
| 854 | I | 48.5 | Very low | 43.1 | Very low | 158 Ų | 158 | 161.6 Ų | 161.6 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | G | 310 helix | trans | -65.3 | -23 | -166.5 | -63.5 | 170.3 | 0 | 0 | 0 | 112.6 | R856 | I854-R856 VanDerWaalsContact C-N 3.28Å; I854-R856 PolarHBondContact O-N 2.98Å |
| 855 | A | 43.4 | Very low | 42.2 | Very low | 83 Ų | 83 | 162.3 Ų | 162.3 | 69% | 0.686 | 82% | 0.815 | S | S | * | * | G | 310 helix | trans | -71.6 | -15.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | E853 | E853-A855 PolarHBondContact O-N 3.27Å; E853-A855 VanDerWaalsContact O-N 3.12Å |
| 856 | R | 46 | Very low | 41.2 | Very low | 227 Ų | 227 | 154.1 Ų | 154.1 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | G | 310 helix | trans | -97.5 | -12.4 | -171 | -70.9 | -173.9 | 169 | -171.4 | -4.6 | 115.6 | E853 I854 K858 | E853-R856 PolarHBondContact O-N 3.44Å; I854-R856 VanDerWaalsContact C-N 3.28Å; I854-R856 PolarHBondContact O-N 2.98Å; R856-K858 PolarHBondContact O-N 2.89Å |
| 857 | A | 46.3 | Very low | 40.6 | Very low | 97 Ų | 97 | 160.2 Ų | 160.2 | 80% | 0.802 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -93.3 | 24.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 858 | K | 48.8 | Very low | 39.9 | Very low | 191 Ų | 191 | 162.3 Ų | 162.3 | 83% | 0.83 | 81% | 0.814 | S | S | * | * | trans | -137.9 | 23.1 | -168.9 | -136.1 | 177 | -174.7 | -178.5 | 0 | 116.6 | R856 | R856-K858 PolarHBondContact O-N 2.89Š| ||
| 859 | I | 51.3 | Low | 38.7 | Very low | 145 Ų | 145 | 157.9 Ų | 157.9 | 74% | 0.744 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -131.7 | 78.2 | 177.2 | -47 | -179 | 0 | 0 | 0 | 111.5 | ||
| 860 | Q | 38.4 | Very low | 38.6 | Very low | 202 Ų | 202 | 150.4 Ų | 150.4 | 94% | 0.944 | 80% | 0.795 | S | S | * | * | trans | 169.2 | 133 | 138.8 | -96.1 | 166.9 | 93.1 | 0 | 0 | 110.9 | ||||
| 861 | G | 34.3 | Very low | 38.6 | Very low | 75 Ų | 75 | 150.4 Ų | 150.4 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | -179.4 | 132.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 862 | K | 35.7 | Very low | 37.9 | Very low | 188 Ų | 188 | 156.5 Ų | 156.5 | 82% | 0.817 | 80% | 0.8 | S | S | * | * | trans | -162.4 | 100.6 | -178 | -151.8 | 168 | -175.8 | -176.4 | 0 | 115.2 | ||||
| 863 | R | 30.7 | Very low | 36.8 | Very low | 211 Ų | 211 | 155.5 Ų | 155.5 | 80% | 0.796 | 80% | 0.803 | S | S | * | * | trans | 67.7 | 169.6 | 148 | -50.2 | -77.2 | -113.2 | -93.6 | -4.2 | 115.1 | ||||
| 864 | H | 30.2 | Very low | 36.6 | Very low | 165 Ų | 165 | 153.6 Ų | 153.6 | 76% | 0.764 | 81% | 0.808 | S | S | * | * | cis | -132.3 | -151.5 | 14 | -145.6 | -94.9 | 0 | 0 | 0 | 114.4 | ||||
| 865 | R | 31.9 | Very low | 35.8 | Very low | 233 Ų | 233 | 153.5 Ų | 153.5 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | trans | -142.5 | 147.8 | -158.6 | -178.6 | -163.8 | -156.4 | -105.4 | 9 | 110.8 | ||||
| 866 | G | 28.3 | Very low | 35.3 | Very low | 72 Ų | 72 | 156.9 Ų | 156.9 | 74% | 0.742 | 82% | 0.816 | S | S | * | * | trans | 99.7 | 165.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 867 | Q | 27.5 | Very low | 34.9 | Very low | 197 Ų | 197 | 150.9 Ų | 150.9 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | cis | -153.3 | 178.7 | -3.7 | -174.9 | 162.2 | -20.2 | 0 | 0 | 109.1 | ||||
| 868 | E | 32.3 | Very low | 34.2 | Very low | 185 Ų | 185 | 152.2 Ų | 152.2 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | -94.2 | 173.7 | -167.7 | -60.2 | 166.2 | 172 | 0 | 0 | 114.3 | ||||
| 869 | D | 25.8 | Very low | 33.5 | Very low | 152 Ų | 152 | 151 Ų | 151 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | trans | 105.9 | 138.6 | 150.4 | -146 | 0.3 | 0 | 0 | 0 | 121.4 | ||||
| 870 | S | 36.1 | Very low | 32.9 | Very low | 95 Ų | 95 | 150.5 Ų | 150.5 | 66% | 0.664 | 80% | 0.803 | S | S | * | * | trans | 55.9 | 107.8 | 151.2 | -78.1 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 871 | S | 36.7 | Very low | 32.9 | Very low | 111 Ų | 111 | 146.6 Ų | 146.6 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | 65.5 | 112.9 | 103.6 | -161.6 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 872 | R | 32.9 | Very low | 32.9 | Very low | 247 Ų | 247 | 147.4 Ų | 147.4 | 93% | 0.932 | 78% | 0.784 | S | S | * | * | trans | 176.6 | 135.4 | 141.5 | -103 | 163 | 156.9 | 171.1 | -6.6 | 108.5 | ||||
| 873 | G | 29.2 | Very low | 32.7 | Very low | 65 Ų | 65 | 145.7 Ų | 145.7 | 67% | 0.67 | 78% | 0.782 | S | S | * | * | cis | 116.6 | 110.9 | -3.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 874 | S | 35 | Very low | 32.9 | Very low | 126 Ų | 126 | 140.5 Ų | 140.5 | 88% | 0.881 | 78% | 0.778 | S | S | * | * | trans | 171.1 | 129.3 | 142 | -75.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 875 | D | 32.1 | Very low | 34.1 | Very low | 157 Ų | 157 | 138 Ų | 138 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | trans | -101.4 | 156 | 168.7 | -52.2 | -85.1 | 0 | 0 | 0 | 110.7 | ||||
| 876 | N | 31.5 | Very low | 34 | Very low | 153 Ų | 153 | 133 Ų | 133 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | 171.5 | 120.3 | 150.9 | -99.3 | 13.7 | 0 | 0 | 0 | 107.5 | ||||
| 877 | S | 37.4 | Very low | 33.9 | Very low | 102 Ų | 102 | 134.7 Ų | 134.7 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | cis | 86.3 | 126.2 | 49.4 | 78.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 878 | S | 31.5 | Very low | 34.8 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | trans | -145.8 | 147.6 | 161.3 | -172.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 879 | Y | 34.1 | Very low | 34.6 | Very low | 164 Ų | 164 | 125.7 Ų | 125.7 | 64% | 0.643 | 76% | 0.759 | S | S | * | * | trans | -89.1 | 176.2 | -174.7 | -141.1 | -134.1 | 0 | 0 | 0 | 111 | E881 | Y879-E881 HydrophobicContact CD1-CB 4.02Å; Y879-E881 HydrophobicContact CE1-CB 3.57Å; Y879-E881 HydrophobicContact CE1-CG 4.14Å; Y879-E881 WeakPolarHBondContact CE1-OE1 3.46Å; Y879-E881 HydrophobicContact CE2-CB 4.49Å; Y879-E881 VanDerWaalsContact CZ-CD 3.47Å; Y879-E881 VanDerWaalsContact CZ-OE1 3.3Å; Y879-E881 PolarHBondContact OH-OE1 3.43Å; Y879-E881 PolarHBondContact OH-OE2 3.46Å; Y879-E881 VanDerWaalsContact OH-OE2 3.08Å | ||
| 880 | D | 38.5 | Very low | 35.7 | Very low | 136 Ų | 136 | 124 Ų | 124 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | cis | -169.4 | 131.6 | 44.9 | -165.8 | -63.6 | 0 | 0 | 0 | 105.6 | ||||
| 881 | E | 40 | Very low | 35.4 | Very low | 120 Ų | 120 | 127.1 Ų | 127.1 | 56% | 0.561 | 77% | 0.765 | S | S | * | * | cis | 91.9 | 133.5 | 49.7 | -172.6 | 154.2 | 92.6 | 0 | 0 | 116.2 | Y879 | Y879-E881 HydrophobicContact CD1-CB 4.02Å; Y879-E881 HydrophobicContact CE1-CB 3.57Å; Y879-E881 HydrophobicContact CE1-CG 4.14Å; Y879-E881 WeakPolarHBondContact CE1-OE1 3.46Å; Y879-E881 HydrophobicContact CE2-CB 4.49Å; Y879-E881 VanDerWaalsContact CZ-CD 3.47Å; Y879-E881 VanDerWaalsContact CZ-OE1 3.3Å; Y879-E881 PolarHBondContact OH-OE1 3.43Å; Y879-E881 PolarHBondContact OH-OE2 3.46Å; Y879-E881 VanDerWaalsContact OH-OE2 3.08Å | ||
| 882 | A | 33.2 | Very low | 35.1 | Very low | 92 Ų | 92 | 126.7 Ų | 126.7 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | trans | -161.1 | 84.3 | 160.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 883 | L | 31.6 | Very low | 35 | Very low | 151 Ų | 151 | 119 Ų | 119 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | trans | 60.5 | 90.8 | 143.8 | -48.9 | 179.8 | 0 | 0 | 0 | 121.6 | ||||
| 884 | S | 34.3 | Very low | 35.2 | Very low | 102 Ų | 102 | 128 Ų | 128 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | 31 | 167.7 | 109.6 | -51.6 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 885 | P | 55.6 | Low | 34.8 | Very low | 113 Ų | 113 | 126.7 Ų | 126.7 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | cis | -130.3 | -178.3 | -46.6 | 34.3 | -14.3 | 0 | 0 | 0 | 112.2 | ||||
| 886 | T | 30.3 | Very low | 34.8 | Very low | 129 Ų | 129 | 124.5 Ų | 124.5 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | 170.8 | 155.6 | 84.6 | -47.6 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 887 | S | 27.1 | Very low | 35 | Very low | 107 Ų | 107 | 126 Ų | 126 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | trans | -100 | -167.2 | 177.3 | -36.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 888 | P | 45 | Very low | 34.8 | Very low | 126 Ų | 126 | 123.9 Ų | 123.9 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | cis | -131.7 | -164.6 | -14.1 | 37.6 | -16.2 | 0 | 0 | 0 | 114.2 | ||||
| 889 | G | 28.5 | Very low | 34.7 | Very low | 66 Ų | 66 | 125.1 Ų | 125.1 | 68% | 0.68 | 75% | 0.747 | S | S | * | * | trans | -85.4 | -149 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 890 | P | 49.3 | Very low | 35 | Very low | 116 Ų | 116 | 125.5 Ų | 125.5 | 75% | 0.753 | 75% | 0.747 | S | S | * | * | cis | -148.4 | -172.3 | 12.7 | 41 | -18.3 | 0 | 0 | 0 | 118.2 | ||||
| 891 | L | 30.2 | Very low | 34.6 | Very low | 161 Ų | 161 | 124.4 Ų | 124.4 | 84% | 0.843 | 74% | 0.741 | S | S | * | * | trans | 68.4 | 157.1 | 163.1 | -52.8 | -177.7 | 0 | 0 | 0 | 118 | ||||
| 892 | S | 29.4 | Very low | 34.5 | Very low | 103 Ų | 103 | 125.5 Ų | 125.5 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | cis | -178.8 | 170 | -20.6 | -91.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 893 | A | 31.6 | Very low | 34.4 | Very low | 84 Ų | 84 | 125.8 Ų | 125.8 | 69% | 0.694 | 75% | 0.747 | S | S | * | * | cis | -176.6 | 177.7 | -27 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 894 | R | 32.6 | Very low | 34.5 | Very low | 254 Ų | 254 | 126 Ų | 126 | 96% | 0.958 | 75% | 0.749 | S | S | * | * | trans | 79.8 | 152.8 | 178.8 | -52.4 | 179.9 | 172.3 | -173.5 | -3.3 | 115 | ||||
| 895 | A | 27.6 | Very low | 34.4 | Very low | 100 Ų | 100 | 125.9 Ų | 125.9 | 83% | 0.826 | 75% | 0.748 | S | S | * | * | cis | -140.9 | -175 | 8.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 896 | S | 31.4 | Very low | 33.3 | Very low | 111 Ų | 111 | 126 Ų | 126 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | trans | -160.8 | 179.6 | 179.2 | -147.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 897 | H | 36.1 | Very low | 33.7 | Very low | 185 Ų | 185 | 128.7 Ų | 128.7 | 86% | 0.856 | 76% | 0.757 | S | S | * | * | cis | -160.9 | 166.3 | 15.3 | -176.3 | -103 | 0 | 0 | 0 | 111.7 | ||||
| 898 | G | 32.1 | Very low | 34.3 | Very low | 57 Ų | 57 | 127.6 Ų | 127.6 | 59% | 0.588 | 76% | 0.755 | S | S | * | * | trans | 117.8 | 154.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 899 | E | 29.9 | Very low | 34 | Very low | 151 Ų | 151 | 126.9 Ų | 126.9 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | cis | -153.4 | -174.1 | -4 | -126.2 | -95.5 | 80.1 | 0 | 0 | 107.2 | ||||
| 900 | R | 41.8 | Very low | 34.4 | Very low | 171 Ų | 171 | 129.7 Ų | 129.7 | 65% | 0.645 | 76% | 0.756 | S | S | * | * | trans | -73.8 | -179.2 | -178 | -44.3 | 144.7 | -69.3 | 106 | 6.9 | 112.8 | ||||
| 901 | D | 28.8 | Very low | 33.8 | Very low | 113 Ų | 113 | 130 Ų | 130 | 60% | 0.604 | 76% | 0.757 | S | S | * | * | cis | -160.2 | -173 | 19.9 | -124.4 | -49.5 | 0 | 0 | 0 | 108 | ||||
| 902 | L | 38 | Very low | 34.4 | Very low | 144 Ų | 144 | 126.7 Ų | 126.7 | 75% | 0.754 | 74% | 0.744 | S | S | * | * | cis | -160.9 | -179.7 | 10.4 | -133.3 | -173 | 0 | 0 | 0 | 111 | ||||
| 903 | S | 30.9 | Very low | 34.8 | Very low | 97 Ų | 97 | 129.6 Ų | 129.6 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | trans | 68 | 92.6 | 148.6 | 68.8 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 904 | N | 34.5 | Very low | 35.5 | Very low | 156 Ų | 156 | 131 Ų | 131 | 83% | 0.834 | 75% | 0.747 | S | S | * | * | 85.9 | 152.5 | 127.9 | -157.3 | 36.1 | 0 | 0 | 0 | 122 | |||||
| 905 | S | 30.7 | Very low | 36.7 | Very low | 99 Ų | 99 | 121.9 Ų | 121.9 | 69% | 0.692 | 72% | 0.715 | S | S | * | * | trans | 63.2 | 93.4 | 178.7 | -67.2 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 906 | S | 34.3 | Very low | 38.3 | Very low | 116 Ų | 116 | 119.9 Ų | 119.9 | 81% | 0.811 | 70% | 0.704 | S | S | * | * | 69.4 | 80.2 | 57.4 | -168.2 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 907 | M | 38.9 | Very low | 39.9 | Very low | 185 Ų | 185 | 115.1 Ų | 115.1 | 91% | 0.911 | 67% | 0.67 | S | S | * | * | trans | -155.2 | 54.7 | 155.3 | -112.9 | -61.9 | 169.9 | 0 | 0 | 111.5 | ||||
| 908 | A | 38.5 | Very low | 41.7 | Very low | 84 Ų | 84 | 110 Ų | 110 | 69% | 0.694 | 65% | 0.649 | S | S | * | * | trans | -93.4 | 139.9 | 159.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 909 | P | 39.2 | Very low | 43.4 | Very low | 111 Ų | 111 | 111.7 Ų | 111.7 | 72% | 0.721 | 65% | 0.65 | S | S | * | * | trans | -63.5 | 143.6 | 175.8 | 28.2 | -34.3 | 0 | 0 | 0 | 109.6 | T911 | P909-T911 PolarHBondContact O-N 2.94Š| ||
| 910 | P | 35.9 | Very low | 45.4 | Very low | 125 Ų | 125 | 108.9 Ų | 108.9 | 81% | 0.812 | 64% | 0.643 | S | S | * | * | trans | -63.7 | 111.2 | 172.9 | 27.1 | -32.7 | 0 | 0 | 0 | 108.4 | ||||
| 911 | T | 38 | Very low | 47.1 | Very low | 124 Ų | 124 | 101.7 Ų | 101.7 | 76% | 0.761 | 62% | 0.616 | S | S | * | * | trans | -52.2 | 132.3 | 161.2 | 47.2 | 0 | 0 | 0 | 0 | 107.4 | P909 | P909-T911 PolarHBondContact O-N 2.94Š| ||
| 912 | P | 42.8 | Very low | 49.2 | Very low | 90 Ų | 90 | 99.7 Ų | 99.7 | 58% | 0.584 | 61% | 0.605 | S | S | * | * | trans | -55.1 | 153.7 | 177 | 19.8 | -28.5 | 0 | 0 | 0 | 110.2 | L914 | P912-L914 HydrophobicContact CB-CG 4.32Å; P912-L914 HydrophobicContact CG-CD1 3.94Å; P912-L914 HydrophobicContact CG-CG 3.96Å; P912-L914 WeakPolarHBondContact O-CB 3.41Å; P912-L914 WeakPolarHBondContact O-CG 3.48Å; P912-L914 PolarHBondContact O-N 3.03Å | ||
| 913 | D | 37.3 | Very low | 50.8 | Low | 164 Ų | 164 | 97.3 Ų | 97.3 | 88% | 0.877 | 60% | 0.6 | S | S | * | * | trans | -66.6 | 69.2 | -177.3 | -170.3 | 1.5 | 0 | 0 | 0 | 110.9 | H915 | D913-H915 PolarHBondContact O-N 3.43Š| ||
| 914 | L | 45.5 | Very low | 53.2 | Low | 113 Ų | 113 | 95 Ų | 95 | 59% | 0.592 | 58% | 0.584 | S | S | * | * | trans | -82.4 | 93 | -167.4 | -82.8 | 174.4 | 0 | 0 | 0 | 108.8 | P912 | P912-L914 HydrophobicContact CB-CG 4.32Å; P912-L914 HydrophobicContact CG-CD1 3.94Å; P912-L914 HydrophobicContact CG-CG 3.96Å; P912-L914 WeakPolarHBondContact O-CB 3.41Å; P912-L914 WeakPolarHBondContact O-CG 3.48Å; P912-L914 PolarHBondContact O-N 3.03Å | ||
| 915 | H | 58.1 | Low | 55.7 | Low | 64 Ų | 64 | 91.9 Ų | 91.9 | 30% | 0.296 | 57% | 0.567 | S | S | . | * | trans | 85.4 | 94.7 | 162.6 | -34.2 | 117.3 | 0 | 0 | 0 | 114.2 | D913 I917 K986 V989 | D913-H915 PolarHBondContact O-N 3.43Å; H915-I917 HydrophobicContact CB-CB 4.49Å; H915-I917 HydrophobicContact CB-CD1 3.94Å; H915-I917 HydrophobicContact CB-CG1 4.06Å; H915-I917 PolarHBondContact O-N 2.93Å; H915-K986 VanDerWaalsContact CA-NZ 3.34Å; H915-V989 WeakPolarHBondContact ND1-CG1 3.22Å; H915-V989 VanDerWaalsContact NE2-CG2 3.27Å; H915-V989 WeakPolarHBondContact NE2-CG2 3.27Å | ||
| 916 | G | 60.9 | Low | 58.6 | Low | 58 Ų | 58 | 87.8 Ų | 87.8 | 60% | 0.598 | 54% | 0.538 | S | S | * | . | trans | -60.5 | 74.1 | 146.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | K986 | G916-K986 VanDerWaalsContact C-NZ 3.28Å; G916-K986 VanDerWaalsContact O-CE 3.26Å; G916-K986 WeakPolarHBondContact O-CE 3.45Å; G916-K986 PolarHBondContact O-NZ 3.1Å | ||
| 917 | I | 66.5 | Low | 61.4 | Low | 11 Ų | 11 | 85 Ų | 85 | 6% | 0.056 | 52% | 0.519 | C | S | . | . | S | Bend | trans | -118.8 | 142.2 | 158.7 | -64.7 | 168.3 | 0 | 0 | 0 | 102.6 | H915 F921 L922 F937 L941 K986 V989 | H915-I917 HydrophobicContact CB-CB 4.49Å; H915-I917 HydrophobicContact CB-CD1 3.94Å; H915-I917 HydrophobicContact CB-CG1 4.06Å; H915-I917 PolarHBondContact O-N 2.93Å; I917-F921 HydrophobicContact CG2-CB 4.02Å; I917-F921 HydrophobicContact CG2-CD2 4.28Å; I917-L922 HydrophobicContact CD1-CD2 4.08Å; I917-L922 HydrophobicContact CG2-CD2 4.18Å; I917-L922 HydrophobicContact CG2-CG 4.26Å; I917-F937 HydrophobicContact CD1-CE2 4.3Å; I917-F937 HydrophobicContact CG1-CE2 4.09Å; I917-F937 HydrophobicContact CG2-CD2 4.09Å; I917-F937 HydrophobicContact CG2-CE2 3.76Å; I917-L941 HydrophobicContact CG1-CD2 4.31Å; I917-K986 HydrophobicContact CD1-CB 4.29Å; I917-K986 HydrophobicContact CD1-CD 3.97Å; I917-K986 HydrophobicContact CG1-CB 4.48Å; I917-K986 HydrophobicContact CG1-CD 3.76Å; I917-K986 HydrophobicContact CG1-CG 4.28Å; I917-V989 HydrophobicContact CD1-CG1 4.15Å |
| 918 | N | 72.4 | Confident | 64 | Low | 78 Ų | 78 | 85.5 Ų | 85.5 | 42% | 0.417 | 51% | 0.511 | S | S | . | . | trans | -66.2 | 127.1 | 173.7 | -176.7 | -28.3 | 0 | 0 | 0 | 109.4 | V920 F921 | N918-V920 PolarHBondContact O-N 2.83Å; N918-V920 WeakPolarHBondContact OD1-CG2 3.06Å; N918-V920 PolarHBondContact OD1-N 3.41Å; N918-F921 HydrophobicContact CB-CD2 3.79Å; N918-F921 HydrophobicContact CB-CE2 3.87Å; N918-F921 WeakPolarHBondContact O-CD2 3.46Å; N918-F921 PolarHBondContact O-N 3.19Å | ||
| 919 | P | 68.5 | Low | 66.7 | Low | 92 Ų | 92 | 81.8 Ų | 81.8 | 60% | 0.597 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -56.9 | -22.1 | -175.4 | 21.1 | -34.3 | 0 | 0 | 0 | 114.6 | F921 L922 S923 | P919-F921 PolarHBondContact O-N 3.49Å; P919-L922 PolarHBondContact O-N 2.77Å; P919-S923 PolarHBondContact O-N 2.91Å |
| 920 | V | 71.9 | Confident | 69.4 | Low | 92 Ų | 92 | 79 Ų | 79 | 56% | 0.558 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -55.8 | -33.2 | 172.6 | 175.4 | 0 | 0 | 0 | 0 | 112.6 | N918 S923 S924 | N918-V920 PolarHBondContact O-N 2.83Å; N918-V920 WeakPolarHBondContact OD1-CG2 3.06Å; N918-V920 PolarHBondContact OD1-N 3.41Å; V920-S923 PolarHBondContact O-OG 3.49Å; V920-S924 PolarHBondContact O-OG 2.96Å |
| 921 | F | 77.6 | Confident | 72.3 | Confident | 20 Ų | 20 | 74.7 Ų | 74.7 | 9% | 0.088 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -74.2 | -36.7 | 175.3 | -63 | -65.2 | 0 | 0 | 0 | 111.9 | I917 N918 P919 S923 S924 W929 E936 F937 | I917-F921 HydrophobicContact CG2-CB 4.02Å; I917-F921 HydrophobicContact CG2-CD2 4.28Å; N918-F921 HydrophobicContact CB-CD2 3.79Å; N918-F921 HydrophobicContact CB-CE2 3.87Å; N918-F921 WeakPolarHBondContact O-CD2 3.46Å; N918-F921 PolarHBondContact O-N 3.19Å; P919-F921 PolarHBondContact O-N 3.49Å; F921-S923 PolarHBondContact O-N 3.38Å; F921-S924 PolarHBondContact O-N 3.38Å; F921-S924 VanDerWaalsContact O-O 3.14Å; F921-W929 HydrophobicContact CB-CH2 3.81Å; F921-W929 HydrophobicContact CB-CZ2 3.76Å; F921-W929 HydrophobicContact CD1-CH2 4.23Å; F921-W929 HydrophobicContact CD1-CZ2 4.19Å; F921-W929 HydrophobicContact CG-CH2 4.3Å; F921-W929 HydrophobicContact CG-CZ2 4.42Å; F921-W929 WeakPolarHBondContact O-CZ2 3.37Å; F921-E936 HydrophobicContact CE1-CB 4.45Å; F921-E936 HydrophobicContact CZ-CB 4Å; F921-F937 HydrophobicContact CB-CD2 4.3Å; F921-F937 HydrophobicContact CD1-CB 4.04Å; F921-F937 HydrophobicContact CD2-CB 4.38Å; F921-F937 HydrophobicContact CD2-CD2 4.06Å; F921-F937 HydrophobicContact CE1-CB 3.91Å; F921-F937 HydrophobicContact CE2-CB 4.27Å; F921-F937 HydrophobicContact CG-CB 4.29Å; F921-F937 HydrophobicContact CG-CD2 4.05Å; F921-F937 HydrophobicContact CZ-CB 4.05Å |
| 922 | L | 73.3 | Confident | 75.1 | Confident | 71 Ų | 71 | 73.1 Ų | 73.1 | 37% | 0.372 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -68.8 | -20.5 | -179.1 | -59 | 178.4 | 0 | 0 | 0 | 113.2 | I917 P919 S924 L990 | I917-L922 HydrophobicContact CD1-CD2 4.08Å; I917-L922 HydrophobicContact CG2-CD2 4.18Å; I917-L922 HydrophobicContact CG2-CG 4.26Å; P919-L922 PolarHBondContact O-N 2.77Å; L922-S924 VanDerWaalsContact C-N 3.35Å; L922-L990 HydrophobicContact CD2-CD2 4.04Å |
| 923 | S | 70.1 | Confident | 77.6 | Confident | 94 Ų | 94 | 72.3 Ų | 72.3 | 66% | 0.657 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -9.9 | 170.9 | 41 | 0 | 0 | 0 | 0 | 114.8 | P919 V920 F921 | P919-S923 PolarHBondContact O-N 2.91Å; V920-S923 PolarHBondContact O-OG 3.49Å; F921-S923 PolarHBondContact O-N 3.38Å |
| 924 | S | 81.6 | Confident | 80.4 | Confident | 48 Ų | 48 | 64.5 Ų | 64.5 | 34% | 0.336 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -117.7 | 125.4 | -168.8 | -62.6 | 0 | 0 | 0 | 0 | 111 | V920 F921 L922 P926 W929 | V920-S924 PolarHBondContact O-OG 2.96Å; F921-S924 PolarHBondContact O-N 3.38Å; F921-S924 VanDerWaalsContact O-O 3.14Å; L922-S924 VanDerWaalsContact C-N 3.35Å; S924-P926 VanDerWaalsContact O-CD 3.3Å; S924-P926 WeakPolarHBondContact O-CD 3.09Å; S924-P926 VanDerWaalsContact O-N 3.08Å; S924-W929 PolarHBondContact O-NE1 2.89Å; S924-W929 VanDerWaalsContact O-NE1 3.09Å |
| 925 | N | 88.5 | Confident | 82.8 | Confident | 91 Ų | 91 | 59.3 Ų | 59.3 | 49% | 0.487 | 34% | 0.337 | S | S | . | . | trans | -55.1 | 112.3 | -177 | -79.6 | -141 | 0 | 0 | 0 | 111.1 | S927 R928 | N925-S927 PolarHBondContact O-N 3.14Å; N925-S927 VanDerWaalsContact O-N 3.17Å; N925-R928 HydrophobicContact CB-CG 4.24Å; N925-R928 PolarHBondContact O-N 3.29Å | ||
| 926 | P | 90.9 | Very high | 84.5 | Confident | 12 Ų | 12 | 62.1 Ų | 62.1 | 8% | 0.078 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -66.8 | -23.1 | -171.2 | 23.9 | -31.9 | 0 | 0 | 0 | 113.4 | S924 R928 W929 G958 L962 L990 | S924-P926 VanDerWaalsContact O-CD 3.3Å; S924-P926 WeakPolarHBondContact O-CD 3.09Å; S924-P926 VanDerWaalsContact O-N 3.08Å; P926-R928 PolarHBondContact O-N 3.19Å; P926-R928 VanDerWaalsContact O-N 3.15Å; P926-W929 HydrophobicContact CB-CD2 4.2Å; P926-W929 HydrophobicContact CB-CE3 4.46Å; P926-W929 HydrophobicContact CB-CH2 4.16Å; P926-W929 HydrophobicContact CB-CZ2 3.86Å; P926-W929 HydrophobicContact CB-CZ3 4.45Å; P926-W929 PolarHBondContact O-N 3.38Å; P926-G958 CarbonylContact O-C 3.6Å; P926-G958 WeakPolarHBondContact O-CA 3.31Å; P926-L962 HydrophobicContact CB-CD1 4.2Å; P926-L962 HydrophobicContact CB-CD2 4.15Å; P926-L962 HydrophobicContact CB-CG 4.5Å; P926-L962 HydrophobicContact CG-CD1 4.27Å; P926-L962 HydrophobicContact CG-CD2 4.2Å; P926-L990 HydrophobicContact CB-CB 4.41Å; P926-L990 HydrophobicContact CG-CB 4.31Å; P926-L990 WeakPolarHBondContact CG-O 3.38Å |
| 927 | S | 93.1 | Very high | 86.1 | Confident | 59 Ų | 59 | 59.4 Ų | 59.4 | 41% | 0.413 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -67.2 | -5 | 172.5 | 56.1 | 0 | 0 | 0 | 0 | 115 | N925 Q959 | N925-S927 PolarHBondContact O-N 3.14Å; N925-S927 VanDerWaalsContact O-N 3.17Å; S927-Q959 VanDerWaalsContact O-CG 3.28Å; S927-Q959 WeakPolarHBondContact O-CG 3.45Å |
| 928 | R | 92.9 | Very high | 87.5 | Confident | 195 Ų | 195 | 58.9 Ų | 58.9 | 74% | 0.736 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -116.2 | -1.3 | 177.9 | -53.4 | -168.9 | -157 | 173.7 | 8.2 | 114.5 | N925 P926 S930 | N925-R928 HydrophobicContact CB-CG 4.24Å; N925-R928 PolarHBondContact O-N 3.29Å; P926-R928 PolarHBondContact O-N 3.19Å; P926-R928 VanDerWaalsContact O-N 3.15Å; R928-S930 PolarHBondContact O-N 3.49Å |
| 929 | W | 95.4 | Very high | 88.6 | Confident | 6 Ų | 6 | 56.6 Ų | 56.6 | 2% | 0.023 | 31% | 0.311 | C | S | . | . | trans | -64.7 | 134.3 | -177.2 | -65.2 | -5.8 | 0 | 0 | 0 | 111.4 | F921 S924 P926 E933 V934 F937 G958 L961 L990 | F921-W929 HydrophobicContact CB-CH2 3.81Å; F921-W929 HydrophobicContact CB-CZ2 3.76Å; F921-W929 HydrophobicContact CD1-CH2 4.23Å; F921-W929 HydrophobicContact CD1-CZ2 4.19Å; F921-W929 HydrophobicContact CG-CH2 4.3Å; F921-W929 HydrophobicContact CG-CZ2 4.42Å; F921-W929 WeakPolarHBondContact O-CZ2 3.37Å; S924-W929 PolarHBondContact O-NE1 2.89Å; S924-W929 VanDerWaalsContact O-NE1 3.09Å; P926-W929 HydrophobicContact CB-CD2 4.2Å; P926-W929 HydrophobicContact CB-CE3 4.46Å; P926-W929 HydrophobicContact CB-CH2 4.16Å; P926-W929 HydrophobicContact CB-CZ2 3.86Å; P926-W929 HydrophobicContact CB-CZ3 4.45Å; P926-W929 PolarHBondContact O-N 3.38Å; W929-E933 HydrophobicContact CB-CB 3.85Å; W929-E933 HydrophobicContact CG-CB 4.13Å; W929-V934 HydrophobicContact CB-CG2 4.02Å; W929-V934 HydrophobicContact CE3-CG2 4.18Å; W929-F937 HydrophobicContact CE3-CB 4.38Å; W929-F937 HydrophobicContact CH2-CB 4.45Å; W929-F937 AromaticContact CH2-CD2 3.88Å; W929-F937 HydrophobicContact CH2-CD2 3.88Å; W929-F937 HydrophobicContact CH2-CE2 4.3Å; W929-F937 HydrophobicContact CH2-CG 4.09Å; W929-F937 HydrophobicContact CZ3-CB 3.81Å; W929-F937 AromaticContact CZ3-CD1 3.91Å; W929-F937 HydrophobicContact CZ3-CD1 3.91Å; W929-F937 AromaticContact CZ3-CD2 3.86Å; W929-F937 HydrophobicContact CZ3-CD2 3.86Å; W929-F937 HydrophobicContact CZ3-CE1 4.46Å; W929-F937 HydrophobicContact CZ3-CE2 4.41Å; W929-F937 AromaticContact CZ3-CG 3.58Å; W929-F937 HydrophobicContact CZ3-CG 3.58Å; W929-G958 PolarHBondContact O-N 2.97Å; W929-L961 HydrophobicContact CE3-CD2 3.91Å; W929-L961 HydrophobicContact CZ3-CD2 3.79Å; W929-L990 HydrophobicContact CH2-CD1 3.45Å; W929-L990 VanDerWaalsContact CH2-CD1 3.45Å; W929-L990 HydrophobicContact CH2-CD2 3.69Å; W929-L990 HydrophobicContact CH2-CG 4.23Å; W929-L990 HydrophobicContact CZ2-CD2 4.17Å; W929-L990 HydrophobicContact CZ3-CD1 3.66Å | ||
| 930 | S | 96 | Very high | 89.7 | Confident | 52 Ų | 52 | 54.5 Ų | 54.5 | 36% | 0.364 | 30% | 0.299 | S | S | . | . | trans | -67.7 | 166.3 | 166.4 | 61.9 | 0 | 0 | 0 | 0 | 112.1 | R928 E932 E933 V934 | R928-S930 PolarHBondContact O-N 3.49Å; S930-E932 PolarHBondContact O-N 2.94Å; S930-E933 VanDerWaalsContact CB-OE2 3.28Å; S930-E933 WeakPolarHBondContact CB-OE2 3.42Å; S930-E933 PolarHBondContact N-OE2 3.21Å; S930-E933 PolarHBondContact O-N 3.26Å; S930-E933 VanDerWaalsContact O-N 3.15Å; S930-E933 WeakPolarHBondContact OG-CG 3.34Å; S930-E933 PolarHBondContact OG-N 2.87Å; S930-E933 PolarHBondContact OG-OE2 3.48Å; S930-V934 WeakPolarHBondContact O-CG2 3.34Å; S930-V934 PolarHBondContact O-N 2.9Å | ||
| 931 | V | 96.9 | Very high | 90.7 | Very high | 34 Ų | 34 | 50.3 Ų | 50.3 | 21% | 0.206 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.5 | -35.5 | 174.5 | -177 | 0 | 0 | 0 | 0 | 111.6 | S935 R952 | V931-S935 VanDerWaalsContact O-CB 3.31Å; V931-S935 WeakPolarHBondContact O-CB 3.39Å; V931-S935 PolarHBondContact O-N 3.49Å; V931-R952 HydrophobicContact CG1-CB 4.36Å; V931-R952 HydrophobicContact CG1-CG 4.27Å |
| 932 | E | 96.5 | Very high | 91.2 | Very high | 91 Ų | 91 | 57.1 Ų | 57.1 | 43% | 0.425 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.9 | -51.3 | 172.8 | -106.6 | 44.5 | -113.1 | 0 | 0 | 112.3 | S930 V934 S935 E936 R952 | S930-E932 PolarHBondContact O-N 2.94Å; E932-V934 VanDerWaalsContact C-N 3.32Å; E932-V934 PolarHBondContact O-N 3.08Å; E932-S935 WeakPolarHBondContact O-CB 3.47Å; E932-S935 PolarHBondContact O-N 3.1Å; E932-S935 VanDerWaalsContact O-N 3.13Å; E932-E936 WeakPolarHBondContact O-CG 3.02Å; E932-E936 PolarHBondContact O-N 3.35Å; E932-R952 IonicContact OE1-CZ 2.61Å; E932-R952 IonicContact OE1-NE 3.79Å; E932-R952 PolarHBondContact OE1-NE 3.46Å; E932-R952 IonicContact OE1-NH2 3.2Å; E932-R952 PolarHBondContact OE1-NH2 3.01Å |
| 933 | E | 95 | Very high | 91.9 | Very high | 73 Ų | 73 | 57.1 Ų | 57.1 | 34% | 0.341 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.4 | -37 | 178.6 | -72.5 | 160.7 | 106.6 | 0 | 0 | 112 | W929 S930 F937 | W929-E933 HydrophobicContact CB-CB 3.85Å; W929-E933 HydrophobicContact CG-CB 4.13Å; S930-E933 VanDerWaalsContact CB-OE2 3.28Å; S930-E933 WeakPolarHBondContact CB-OE2 3.42Å; S930-E933 PolarHBondContact N-OE2 3.21Å; S930-E933 PolarHBondContact O-N 3.26Å; S930-E933 VanDerWaalsContact O-N 3.15Å; S930-E933 WeakPolarHBondContact OG-CG 3.34Å; S930-E933 PolarHBondContact OG-N 2.87Å; S930-E933 PolarHBondContact OG-OE2 3.48Å; E933-F937 VanDerWaalsContact O-CB 3.27Å; E933-F937 WeakPolarHBondContact O-CB 3.4Å; E933-F937 PolarHBondContact O-N 3.43Å |
| 934 | V | 96 | Very high | 92.9 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.4 | -43.9 | 171.7 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | W929 S930 E932 F937 I938 F951 I956 L961 | W929-V934 HydrophobicContact CB-CG2 4.02Å; W929-V934 HydrophobicContact CE3-CG2 4.18Å; S930-V934 WeakPolarHBondContact O-CG2 3.34Å; S930-V934 PolarHBondContact O-N 2.9Å; E932-V934 VanDerWaalsContact C-N 3.32Å; E932-V934 PolarHBondContact O-N 3.08Å; V934-F937 PolarHBondContact O-N 3.15Å; V934-I938 HydrophobicContact CG1-CG1 4.5Å; V934-I938 WeakPolarHBondContact O-CG1 3.47Å; V934-I938 PolarHBondContact O-N 3.25Å; V934-F951 HydrophobicContact CG1-CD1 3.77Å; V934-I956 WeakPolarHBondContact CB-O 3.34Å; V934-I956 HydrophobicContact CG1-CG2 4.36Å; V934-I956 WeakPolarHBondContact CG1-O 3.47Å; V934-L961 HydrophobicContact CG1-CB 4.46Å; V934-L961 HydrophobicContact CG1-CD1 4.25Å; V934-L961 HydrophobicContact CG1-CD2 4.21Å; V934-L961 HydrophobicContact CG2-CB 4.35Å; V934-L961 HydrophobicContact CG2-CD2 4.09Å |
| 935 | S | 96 | Very high | 93.4 | Very high | 5 Ų | 5 | 57.4 Ų | 57.4 | 4% | 0.035 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.9 | -45.4 | 177.4 | -166.7 | 0 | 0 | 0 | 0 | 111.1 | V931 E932 I938 A939 A948 | V931-S935 VanDerWaalsContact O-CB 3.31Å; V931-S935 WeakPolarHBondContact O-CB 3.39Å; V931-S935 PolarHBondContact O-N 3.49Å; E932-S935 WeakPolarHBondContact O-CB 3.47Å; E932-S935 PolarHBondContact O-N 3.1Å; E932-S935 VanDerWaalsContact O-N 3.13Å; S935-I938 PolarHBondContact O-N 2.93Å; S935-A939 VanDerWaalsContact O-CB 3.27Å; S935-A939 WeakPolarHBondContact O-CB 3.39Å; S935-A939 PolarHBondContact O-N 3.32Å; S935-A948 VanDerWaalsContact O-CB 3.29Å; S935-A948 WeakPolarHBondContact O-CB 3.45Å; S935-A948 PolarHBondContact OG-O 3.31Å |
| 936 | E | 95.1 | Very high | 93.5 | Very high | 123 Ų | 123 | 61.7 Ų | 61.7 | 58% | 0.575 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -64 | -40.1 | 175.3 | -71.3 | -168.4 | 176.3 | 0 | 0 | 112.7 | F921 E932 A939 S940 | F921-E936 HydrophobicContact CE1-CB 4.45Å; F921-E936 HydrophobicContact CZ-CB 4Å; E932-E936 WeakPolarHBondContact O-CG 3.02Å; E932-E936 PolarHBondContact O-N 3.35Å; E936-A939 PolarHBondContact O-N 2.92Å; E936-S940 PolarHBondContact O-N 2.88Å |
| 937 | F | 94.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58 | -52.9 | 172.8 | 164.8 | -102.4 | 0 | 0 | 0 | 111 | I917 F921 W929 E933 V934 A939 S940 L941 L961 K986 L990 | I917-F937 HydrophobicContact CD1-CE2 4.3Å; I917-F937 HydrophobicContact CG1-CE2 4.09Å; I917-F937 HydrophobicContact CG2-CD2 4.09Å; I917-F937 HydrophobicContact CG2-CE2 3.76Å; F921-F937 HydrophobicContact CB-CD2 4.3Å; F921-F937 HydrophobicContact CD1-CB 4.04Å; F921-F937 HydrophobicContact CD2-CB 4.38Å; F921-F937 HydrophobicContact CD2-CD2 4.06Å; F921-F937 HydrophobicContact CE1-CB 3.91Å; F921-F937 HydrophobicContact CE2-CB 4.27Å; F921-F937 HydrophobicContact CG-CB 4.29Å; F921-F937 HydrophobicContact CG-CD2 4.05Å; F921-F937 HydrophobicContact CZ-CB 4.05Å; W929-F937 HydrophobicContact CE3-CB 4.38Å; W929-F937 HydrophobicContact CH2-CB 4.45Å; W929-F937 AromaticContact CH2-CD2 3.88Å; W929-F937 HydrophobicContact CH2-CD2 3.88Å; W929-F937 HydrophobicContact CH2-CE2 4.3Å; W929-F937 HydrophobicContact CH2-CG 4.09Å; W929-F937 HydrophobicContact CZ3-CB 3.81Å; W929-F937 AromaticContact CZ3-CD1 3.91Å; W929-F937 HydrophobicContact CZ3-CD1 3.91Å; W929-F937 AromaticContact CZ3-CD2 3.86Å; W929-F937 HydrophobicContact CZ3-CD2 3.86Å; W929-F937 HydrophobicContact CZ3-CE1 4.46Å; W929-F937 HydrophobicContact CZ3-CE2 4.41Å; W929-F937 AromaticContact CZ3-CG 3.58Å; W929-F937 HydrophobicContact CZ3-CG 3.58Å; E933-F937 VanDerWaalsContact O-CB 3.27Å; E933-F937 WeakPolarHBondContact O-CB 3.4Å; E933-F937 PolarHBondContact O-N 3.43Å; V934-F937 PolarHBondContact O-N 3.15Å; F937-A939 VanDerWaalsContact C-N 3.28Å; F937-A939 PolarHBondContact O-N 3.5Å; F937-S940 WeakPolarHBondContact O-CB 3.39Å; F937-S940 PolarHBondContact O-N 2.98Å; F937-S940 VanDerWaalsContact O-N 3.13Å; F937-S940 PolarHBondContact O-OG 2.92Å; F937-L941 HydrophobicContact CE1-CD1 4.2Å; F937-L941 HydrophobicContact CE2-CD2 4.25Å; F937-L941 HydrophobicContact CZ-CD1 4.19Å; F937-L941 HydrophobicContact CZ-CD2 4.37Å; F937-L941 WeakPolarHBondContact O-CG 3.46Å; F937-L941 PolarHBondContact O-N 3.43Å; F937-L961 HydrophobicContact CD1-CD2 4.06Å; F937-L961 HydrophobicContact CE1-CD2 4.13Å; F937-K986 HydrophobicContact CZ-CB 3.78Å; F937-L990 HydrophobicContact CD2-CD1 4.37Å; F937-L990 HydrophobicContact CE1-CD1 3.88Å; F937-L990 HydrophobicContact CE2-CD1 3.66Å; F937-L990 HydrophobicContact CE2-CG 4.43Å; F937-L990 HydrophobicContact CZ-CD1 3.37Å; F937-L990 HydrophobicContact CZ-CG 4.33Å |
| 938 | I | 95.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.6 | -35.4 | 177.6 | -63.7 | -65.3 | 0 | 0 | 0 | 111.3 | V934 S935 S940 L941 C944 I947 A948 F951 L961 I983 | V934-I938 HydrophobicContact CG1-CG1 4.5Å; V934-I938 WeakPolarHBondContact O-CG1 3.47Å; V934-I938 PolarHBondContact O-N 3.25Å; S935-I938 PolarHBondContact O-N 2.93Å; I938-S940 VanDerWaalsContact C-N 3.34Å; I938-L941 HydrophobicContact CD1-CD1 4.24Å; I938-L941 WeakPolarHBondContact O-CB 3.43Å; I938-L941 PolarHBondContact O-N 3.15Å; I938-C944 HydrophobicContact CG2-CB 4.23Å; I938-C944 WeakPolarHBondContact O-CB 3.33Å; I938-I947 HydrophobicContact CG2-CB 4.36Å; I938-I947 HydrophobicContact CG2-CG2 4.48Å; I938-A948 HydrophobicContact CB-CB 4.33Å; I938-A948 HydrophobicContact CG2-CB 4.16Å; I938-F951 HydrophobicContact CD1-CD1 4.38Å; I938-F951 HydrophobicContact CD1-CE1 3.96Å; I938-F951 HydrophobicContact CD1-CE2 4.3Å; I938-F951 HydrophobicContact CD1-CZ 3.92Å; I938-F951 HydrophobicContact CG1-CD1 3.91Å; I938-F951 HydrophobicContact CG1-CD2 4.23Å; I938-F951 HydrophobicContact CG1-CE1 4.01Å; I938-F951 HydrophobicContact CG1-CE2 4.33Å; I938-F951 HydrophobicContact CG1-CG 4.02Å; I938-F951 HydrophobicContact CG1-CZ 4.22Å; I938-F951 HydrophobicContact CG2-CD2 4.24Å; I938-F951 HydrophobicContact CG2-CE2 4.4Å; I938-L961 HydrophobicContact CD1-CD1 4.48Å; I938-I983 HydrophobicContact CD1-CD1 4.3Å; I938-I983 HydrophobicContact CD1-CG1 4.08Å; I938-I983 HydrophobicContact CD1-CG2 3.72Å; I938-I983 HydrophobicContact CG2-CD1 4.47Å |
| 939 | A | 94.4 | Very high | 93.8 | Very high | 30 Ų | 30 | 55.5 Ų | 55.5 | 25% | 0.248 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.3 | -34.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S935 E936 F937 L941 Q945 A948 | S935-A939 VanDerWaalsContact O-CB 3.27Å; S935-A939 WeakPolarHBondContact O-CB 3.39Å; S935-A939 PolarHBondContact O-N 3.32Å; E936-A939 PolarHBondContact O-N 2.92Å; F937-A939 VanDerWaalsContact C-N 3.28Å; F937-A939 PolarHBondContact O-N 3.5Å; A939-L941 PolarHBondContact O-N 3.03Å; A939-Q945 HydrophobicContact CB-CG 4.27Å; A939-A948 HydrophobicContact CB-CB 3.76Å |
| 940 | S | 92.9 | Very high | 93.8 | Very high | 48 Ų | 48 | 59 Ų | 59 | 34% | 0.336 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.9 | -23.5 | 175.5 | 83.1 | 0 | 0 | 0 | 0 | 113 | E936 F937 I938 Q942 | E936-S940 PolarHBondContact O-N 2.88Å; F937-S940 WeakPolarHBondContact O-CB 3.39Å; F937-S940 PolarHBondContact O-N 2.98Å; F937-S940 VanDerWaalsContact O-N 3.13Å; F937-S940 PolarHBondContact O-OG 2.92Å; I938-S940 VanDerWaalsContact C-N 3.34Å; S940-Q942 PolarHBondContact O-N 2.9Å |
| 941 | L | 92.2 | Very high | 93.8 | Very high | 4 Ų | 4 | 56.5 Ų | 56.5 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -72.5 | 117.4 | 179.9 | -56.6 | -172.4 | 0 | 0 | 0 | 110.6 | I917 F937 I938 A939 G943 C944 I983 K986 | I917-L941 HydrophobicContact CG1-CD2 4.31Å; F937-L941 HydrophobicContact CE1-CD1 4.2Å; F937-L941 HydrophobicContact CE2-CD2 4.25Å; F937-L941 HydrophobicContact CZ-CD1 4.19Å; F937-L941 HydrophobicContact CZ-CD2 4.37Å; F937-L941 WeakPolarHBondContact O-CG 3.46Å; F937-L941 PolarHBondContact O-N 3.43Å; I938-L941 HydrophobicContact CD1-CD1 4.24Å; I938-L941 WeakPolarHBondContact O-CB 3.43Å; I938-L941 PolarHBondContact O-N 3.15Å; A939-L941 PolarHBondContact O-N 3.03Å; L941-G943 PolarHBondContact O-N 3.37Å; L941-C944 HydrophobicContact CB-CB 3.93Å; L941-C944 WeakPolarHBondContact O-CB 3.29Å; L941-C944 PolarHBondContact O-N 2.94Å; L941-I983 HydrophobicContact CD1-CG1 4.18Å; L941-K986 HydrophobicContact CD1-CB 4.2Å; L941-K986 HydrophobicContact CD1-CG 3.77Å; L941-K986 HydrophobicContact CD2-CD 4.46Å; L941-K986 HydrophobicContact CD2-CG 3.83Å; L941-K986 HydrophobicContact CG-CG 4.45Å |
| 942 | Q | 89.3 | Confident | 93.7 | Very high | 163 Ų | 163 | 59 Ų | 59 | 76% | 0.762 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | 112.6 | -175.3 | -170.7 | -162 | 47.5 | 0 | 0 | 112.5 | S940 K982 | S940-Q942 PolarHBondContact O-N 2.9Å; Q942-K982 PolarHBondContact O-NZ 3.31Å |
| 943 | G | 86.6 | Confident | 93.6 | Very high | 72 Ų | 72 | 58.7 Ų | 58.7 | 74% | 0.742 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.4 | 6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | L941 | L941-G943 PolarHBondContact O-N 3.37Š|
| 944 | C | 91.5 | Very high | 93.7 | Very high | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.007 | 31% | 0.311 | C | S | . | . | trans | -107.7 | 3.4 | 177.6 | -59.2 | 0 | 0 | 0 | 0 | 113.4 | I938 L941 E946 I947 A948 | I938-C944 HydrophobicContact CG2-CB 4.23Å; I938-C944 WeakPolarHBondContact O-CB 3.33Å; L941-C944 HydrophobicContact CB-CB 3.93Å; L941-C944 WeakPolarHBondContact O-CB 3.29Å; L941-C944 PolarHBondContact O-N 2.94Å; C944-E946 VanDerWaalsContact C-N 3.3Å; C944-E946 PolarHBondContact O-N 3.27Å; C944-I947 HydrophobicContact CB-CD1 4.26Å; C944-I947 WeakPolarHBondContact O-CA 3.5Å; C944-I947 WeakPolarHBondContact O-CB 3.36Å; C944-I947 PolarHBondContact O-N 3.42Å; C944-A948 PolarHBondContact O-N 2.8Å | ||
| 945 | Q | 92.2 | Very high | 93.7 | Very high | 147 Ų | 147 | 66.5 Ų | 66.5 | 69% | 0.687 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -32.4 | -177.2 | -164.3 | 173.4 | 23.3 | 0 | 0 | 114.2 | A939 I947 | A939-Q945 HydrophobicContact CB-CG 4.27Å; Q945-I947 PolarHBondContact O-N 2.92Å |
| 946 | E | 91.1 | Very high | 93.7 | Very high | 181 Ų | 181 | 66.8 Ų | 66.8 | 85% | 0.846 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -6.7 | 172.1 | -65.1 | 179.6 | -174.1 | 0 | 0 | 113.3 | C944 | C944-E946 VanDerWaalsContact C-N 3.3Å; C944-E946 PolarHBondContact O-N 3.27Å |
| 947 | I | 93.6 | Very high | 93.8 | Very high | 23 Ų | 23 | 63.2 Ų | 63.2 | 12% | 0.118 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -23.1 | -177.3 | -51.8 | 172.2 | 0 | 0 | 0 | 111.2 | I938 C944 Q945 E949 E950 F951 I975 P979 I983 | I938-I947 HydrophobicContact CG2-CB 4.36Å; I938-I947 HydrophobicContact CG2-CG2 4.48Å; C944-I947 HydrophobicContact CB-CD1 4.26Å; C944-I947 WeakPolarHBondContact O-CA 3.5Å; C944-I947 WeakPolarHBondContact O-CB 3.36Å; C944-I947 PolarHBondContact O-N 3.42Å; Q945-I947 PolarHBondContact O-N 2.92Å; I947-E949 PolarHBondContact O-N 3.06Å; I947-E950 WeakPolarHBondContact O-CB 3.23Å; I947-E950 PolarHBondContact O-N 3.45Å; I947-F951 HydrophobicContact CG2-CD2 3.97Å; I947-F951 HydrophobicContact CG2-CE2 3.84Å; I947-F951 PolarHBondContact O-N 3.04Å; I947-I975 HydrophobicContact CD1-CG2 4.01Å; I947-I975 HydrophobicContact CG2-CD1 3.44Å; I947-I975 VanDerWaalsContact CG2-CD1 3.44Å; I947-I975 HydrophobicContact CG2-CG1 3.79Å; I947-P979 HydrophobicContact CD1-CB 3.46Å; I947-P979 VanDerWaalsContact CD1-CB 3.46Å; I947-P979 HydrophobicContact CD1-CG 4.22Å; I947-I983 HydrophobicContact CD1-CD1 4.35Å; I947-I983 HydrophobicContact CG2-CD1 4.21Å |
| 948 | A | 95.4 | Very high | 93.8 | Very high | 6 Ų | 6 | 63.2 Ų | 63.2 | 5% | 0.05 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -56.4 | -33.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | S935 I938 A939 C944 F951 R952 | S935-A948 VanDerWaalsContact O-CB 3.29Å; S935-A948 WeakPolarHBondContact O-CB 3.45Å; S935-A948 PolarHBondContact OG-O 3.31Å; I938-A948 HydrophobicContact CB-CB 4.33Å; I938-A948 HydrophobicContact CG2-CB 4.16Å; A939-A948 HydrophobicContact CB-CB 3.76Å; C944-A948 PolarHBondContact O-N 2.8Å; A948-F951 PolarHBondContact O-N 3.47Å; A948-R952 PolarHBondContact O-N 3.3Å; A948-R952 VanDerWaalsContact O-N 3.11Å |
| 949 | E | 94.4 | Very high | 93.8 | Very high | 106 Ų | 106 | 68.9 Ų | 68.9 | 50% | 0.495 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -71.3 | -29.4 | 176.7 | -154.7 | 63.9 | -118.4 | 0 | 0 | 112.7 | I947 R952 S953 | I947-E949 PolarHBondContact O-N 3.06Å; E949-R952 WeakPolarHBondContact OE1-CD 3.46Å; E949-R952 IonicContact OE1-CZ 2.86Å; E949-R952 IonicContact OE1-NE 3.19Å; E949-R952 IonicContact OE1-NH1 2.74Å; E949-R952 PolarHBondContact OE1-NH1 2.91Å; E949-R952 IonicContact OE2-NH1 2.71Å; E949-R952 PolarHBondContact OE2-NH1 3.35Å; E949-S953 VanDerWaalsContact O-CB 3.25Å; E949-S953 WeakPolarHBondContact O-CB 3.35Å; E949-S953 PolarHBondContact O-N 3.34Å; E949-S953 PolarHBondContact O-OG 3.41Å |
| 950 | E | 94.2 | Very high | 93.9 | Very high | 80 Ų | 80 | 69.1 Ų | 69.1 | 37% | 0.374 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -71.6 | -37.4 | 175 | -169.7 | 69.4 | -129.9 | 0 | 0 | 110.3 | I947 S953 Q954 M973 | I947-E950 WeakPolarHBondContact O-CB 3.23Å; I947-E950 PolarHBondContact O-N 3.45Å; E950-S953 PolarHBondContact O-N 3.19Å; E950-Q954 WeakPolarHBondContact O-CG 3.38Å; E950-Q954 PolarHBondContact O-N 3.03Å; E950-Q954 VanDerWaalsContact O-N 3.11Å; E950-Q954 PolarHBondContact OE1-NE2 3.41Å; E950-M973 HydrophobicContact CG-CB 4.02Å |
| 951 | F | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.8 | -42.3 | 172.3 | -84.5 | -111 | 0 | 0 | 0 | 112 | V934 I938 I947 A948 Q954 E955 I956 L961 L964 L969 M973 I975 I983 | V934-F951 HydrophobicContact CG1-CD1 3.77Å; I938-F951 HydrophobicContact CD1-CD1 4.38Å; I938-F951 HydrophobicContact CD1-CE1 3.96Å; I938-F951 HydrophobicContact CD1-CE2 4.3Å; I938-F951 HydrophobicContact CD1-CZ 3.92Å; I938-F951 HydrophobicContact CG1-CD1 3.91Å; I938-F951 HydrophobicContact CG1-CD2 4.23Å; I938-F951 HydrophobicContact CG1-CE1 4.01Å; I938-F951 HydrophobicContact CG1-CE2 4.33Å; I938-F951 HydrophobicContact CG1-CG 4.02Å; I938-F951 HydrophobicContact CG1-CZ 4.22Å; I938-F951 HydrophobicContact CG2-CD2 4.24Å; I938-F951 HydrophobicContact CG2-CE2 4.4Å; I947-F951 HydrophobicContact CG2-CD2 3.97Å; I947-F951 HydrophobicContact CG2-CE2 3.84Å; I947-F951 PolarHBondContact O-N 3.04Å; A948-F951 PolarHBondContact O-N 3.47Å; F951-Q954 PolarHBondContact O-N 3.43Å; F951-E955 PolarHBondContact O-N 3.14Å; F951-I956 HydrophobicContact CB-CD1 4.47Å; F951-I956 HydrophobicContact CD1-CB 4.11Å; F951-I956 HydrophobicContact CD1-CD1 3.81Å; F951-I956 HydrophobicContact CD1-CG2 3.96Å; F951-I956 HydrophobicContact CE1-CD1 4.23Å; F951-I956 HydrophobicContact CE1-CG2 4.36Å; F951-I956 HydrophobicContact CG-CD1 4.13Å; F951-I956 PolarHBondContact O-N 3.35Å; F951-L961 HydrophobicContact CD1-CD1 4.46Å; F951-L961 HydrophobicContact CE1-CD1 3.8Å; F951-L964 HydrophobicContact CD1-CD1 4.47Å; F951-L964 HydrophobicContact CE1-CD1 3.56Å; F951-L964 HydrophobicContact CZ-CD1 4.06Å; F951-L969 HydrophobicContact CE2-CD2 4.29Å; F951-L969 HydrophobicContact CZ-CD2 3.66Å; F951-M973 HydrophobicContact CD2-SD 4.16Å; F951-M973 HydrophobicContact CE2-SD 3.68Å; F951-M973 HydrophobicContact CZ-CE 4.33Å; F951-M973 HydrophobicContact CZ-SD 3.92Å; F951-I975 HydrophobicContact CE2-CD1 3.88Å; F951-I983 HydrophobicContact CE2-CD1 4.22Å; F951-I983 HydrophobicContact CZ-CD1 4.43Å; F951-I983 HydrophobicContact CZ-CG2 4.07Å |
| 952 | R | 95.8 | Very high | 94.2 | Very high | 87 Ų | 87 | 68 Ų | 68 | 33% | 0.328 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62 | -46.9 | 171.9 | -177.5 | -171.7 | -73.7 | 115.2 | 4.2 | 111.5 | V931 E932 A948 E949 Q954 E955 | V931-R952 HydrophobicContact CG1-CB 4.36Å; V931-R952 HydrophobicContact CG1-CG 4.27Å; E932-R952 IonicContact OE1-CZ 2.61Å; E932-R952 IonicContact OE1-NE 3.79Å; E932-R952 PolarHBondContact OE1-NE 3.46Å; E932-R952 IonicContact OE1-NH2 3.2Å; E932-R952 PolarHBondContact OE1-NH2 3.01Å; A948-R952 PolarHBondContact O-N 3.3Å; A948-R952 VanDerWaalsContact O-N 3.11Å; E949-R952 WeakPolarHBondContact OE1-CD 3.46Å; E949-R952 IonicContact OE1-CZ 2.86Å; E949-R952 IonicContact OE1-NE 3.19Å; E949-R952 IonicContact OE1-NH1 2.74Å; E949-R952 PolarHBondContact OE1-NH1 2.91Å; E949-R952 IonicContact OE2-NH1 2.71Å; E949-R952 PolarHBondContact OE2-NH1 3.35Å; R952-Q954 PolarHBondContact O-N 2.99Å; R952-Q954 VanDerWaalsContact O-N 3.14Å; R952-E955 PolarHBondContact O-N 2.94Å |
| 953 | S | 95.2 | Very high | 94.4 | Very high | 84 Ų | 84 | 66.6 Ų | 66.6 | 59% | 0.587 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -64.4 | -17.2 | -178 | -61 | 0 | 0 | 0 | 0 | 114 | E949 E950 | E949-S953 VanDerWaalsContact O-CB 3.25Å; E949-S953 WeakPolarHBondContact O-CB 3.35Å; E949-S953 PolarHBondContact O-N 3.34Å; E949-S953 PolarHBondContact O-OG 3.41Å; E950-S953 PolarHBondContact O-N 3.19Å |
| 954 | Q | 95.3 | Very high | 94.8 | Very high | 70 Ų | 70 | 64.3 Ų | 64.3 | 33% | 0.327 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 12.5 | 176.1 | -65.1 | -174 | 33.1 | 0 | 0 | 112.9 | E950 F951 R952 I956 | E950-Q954 WeakPolarHBondContact O-CG 3.38Å; E950-Q954 PolarHBondContact O-N 3.03Å; E950-Q954 VanDerWaalsContact O-N 3.11Å; E950-Q954 PolarHBondContact OE1-NE2 3.41Å; F951-Q954 PolarHBondContact O-N 3.43Å; R952-Q954 PolarHBondContact O-N 2.99Å; R952-Q954 VanDerWaalsContact O-N 3.14Å; Q954-I956 HydrophobicContact CB-CD1 3.91Å; Q954-I956 HydrophobicContact CB-CG1 3.78Å; Q954-I956 PolarHBondContact O-N 3.41Å |
| 955 | E | 96.1 | Very high | 95 | Very high | 166 Ų | 166 | 69.4 Ų | 69.4 | 78% | 0.776 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 36.9 | 175.2 | -56.9 | -175.9 | 128.4 | 0 | 0 | 113.5 | F951 R952 D957 | F951-E955 PolarHBondContact O-N 3.14Å; R952-E955 PolarHBondContact O-N 2.94Å; E955-D957 PolarHBondContact O-N 2.78Å |
| 956 | I | 96.4 | Very high | 95.1 | Very high | 12 Ų | 12 | 66.2 Ų | 66.2 | 6% | 0.062 | 33% | 0.328 | C | S | . | . | trans | -79.6 | 103.8 | -172.3 | -54.8 | -174.6 | 0 | 0 | 0 | 110.3 | V934 F951 Q954 A960 L961 L964 M973 | V934-I956 WeakPolarHBondContact CB-O 3.34Å; V934-I956 HydrophobicContact CG1-CG2 4.36Å; V934-I956 WeakPolarHBondContact CG1-O 3.47Å; F951-I956 HydrophobicContact CB-CD1 4.47Å; F951-I956 HydrophobicContact CD1-CB 4.11Å; F951-I956 HydrophobicContact CD1-CD1 3.81Å; F951-I956 HydrophobicContact CD1-CG2 3.96Å; F951-I956 HydrophobicContact CE1-CD1 4.23Å; F951-I956 HydrophobicContact CE1-CG2 4.36Å; F951-I956 HydrophobicContact CG-CD1 4.13Å; F951-I956 PolarHBondContact O-N 3.35Å; Q954-I956 HydrophobicContact CB-CD1 3.91Å; Q954-I956 HydrophobicContact CB-CG1 3.78Å; Q954-I956 PolarHBondContact O-N 3.41Å; I956-A960 HydrophobicContact CG2-CB 3.9Å; I956-L961 HydrophobicContact CG2-CB 4.45Å; I956-L964 HydrophobicContact CD1-CD1 4.25Å; I956-L964 HydrophobicContact CG2-CD1 4.02Å; I956-M973 HydrophobicContact CD1-CE 3.25Å; I956-M973 HydrophobicContact CD1-SD 4.12Å | ||
| 957 | D | 96.6 | Very high | 95.3 | Very high | 47 Ų | 47 | 62 Ų | 62 | 25% | 0.251 | 31% | 0.308 | S | S | . | . | trans | -79 | 174.1 | 171.9 | 87.4 | -32.8 | 0 | 0 | 0 | 112.4 | E955 Q959 A960 L961 | E955-D957 PolarHBondContact O-N 2.78Å; D957-Q959 VanDerWaalsContact C-N 3.25Å; D957-Q959 PolarHBondContact O-N 3.41Å; D957-Q959 PolarHBondContact OD1-N 3.03Å; D957-Q959 PolarHBondContact OD2-NE2 3.41Å; D957-A960 PolarHBondContact O-N 2.97Å; D957-A960 VanDerWaalsContact OD1-CB 3.3Å; D957-A960 WeakPolarHBondContact OD1-CB 3.43Å; D957-A960 PolarHBondContact OD1-N 3.33Å; D957-L961 WeakPolarHBondContact O-CB 3.42Å; D957-L961 PolarHBondContact O-N 3.05Å | ||
| 958 | G | 95.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.6 | -29.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | P926 W929 L962 | P926-G958 CarbonylContact O-C 3.6Å; P926-G958 WeakPolarHBondContact O-CA 3.31Å; W929-G958 PolarHBondContact O-N 2.97Å; G958-L962 WeakPolarHBondContact O-CD1 3.3Å; G958-L962 VanDerWaalsContact O-CG 3.28Å; G958-L962 WeakPolarHBondContact O-CG 3.42Å; G958-L962 PolarHBondContact O-N 3.27Å |
| 959 | Q | 95.1 | Very high | 95.4 | Very high | 119 Ų | 119 | 64.4 Ų | 64.4 | 56% | 0.556 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -71.9 | -45.9 | 176.3 | -61 | 172.8 | 94.2 | 0 | 0 | 111 | S927 D957 L961 L962 L963 | S927-Q959 VanDerWaalsContact O-CG 3.28Å; S927-Q959 WeakPolarHBondContact O-CG 3.45Å; D957-Q959 VanDerWaalsContact C-N 3.25Å; D957-Q959 PolarHBondContact O-N 3.41Å; D957-Q959 PolarHBondContact OD1-N 3.03Å; D957-Q959 PolarHBondContact OD2-NE2 3.41Å; Q959-L961 VanDerWaalsContact C-N 3.34Å; Q959-L962 PolarHBondContact O-N 3.41Å; Q959-L963 WeakPolarHBondContact O-CG 3.35Å; Q959-L963 PolarHBondContact O-N 3.34Å |
| 960 | A | 96.4 | Very high | 95.4 | Very high | 36 Ų | 36 | 62.9 Ų | 62.9 | 30% | 0.298 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.3 | -43.6 | 173 | 0 | 0 | 0 | 0 | 0 | 111.2 | I956 D957 L962 L963 L964 | I956-A960 HydrophobicContact CG2-CB 3.9Å; D957-A960 PolarHBondContact O-N 2.97Å; D957-A960 VanDerWaalsContact OD1-CB 3.3Å; D957-A960 WeakPolarHBondContact OD1-CB 3.43Å; D957-A960 PolarHBondContact OD1-N 3.33Å; A960-L962 VanDerWaalsContact C-N 3.31Å; A960-L962 PolarHBondContact O-N 3.4Å; A960-L963 WeakPolarHBondContact O-CA 3.39Å; A960-L963 PolarHBondContact O-N 3.03Å; A960-L964 WeakPolarHBondContact O-CG 3.41Å; A960-L964 PolarHBondContact O-N 2.97Å |
| 961 | L | 95.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -52.9 | -45.2 | 177.4 | 179.2 | 67.7 | 0 | 0 | 0 | 112.4 | W929 V934 F937 I938 F951 I956 D957 Q959 L963 L964 I987 L990 | W929-L961 HydrophobicContact CE3-CD2 3.91Å; W929-L961 HydrophobicContact CZ3-CD2 3.79Å; V934-L961 HydrophobicContact CG1-CB 4.46Å; V934-L961 HydrophobicContact CG1-CD1 4.25Å; V934-L961 HydrophobicContact CG1-CD2 4.21Å; V934-L961 HydrophobicContact CG2-CB 4.35Å; V934-L961 HydrophobicContact CG2-CD2 4.09Å; F937-L961 HydrophobicContact CD1-CD2 4.06Å; F937-L961 HydrophobicContact CE1-CD2 4.13Å; I938-L961 HydrophobicContact CD1-CD1 4.48Å; F951-L961 HydrophobicContact CD1-CD1 4.46Å; F951-L961 HydrophobicContact CE1-CD1 3.8Å; I956-L961 HydrophobicContact CG2-CB 4.45Å; D957-L961 WeakPolarHBondContact O-CB 3.42Å; D957-L961 PolarHBondContact O-N 3.05Å; Q959-L961 VanDerWaalsContact C-N 3.34Å; L961-L963 VanDerWaalsContact C-N 3.25Å; L961-L963 PolarHBondContact O-N 2.98Å; L961-L964 HydrophobicContact CD1-CD1 4.32Å; L961-L964 WeakPolarHBondContact O-CB 3.41Å; L961-L964 PolarHBondContact O-N 3.49Å; L961-I987 HydrophobicContact CD1-CD1 3.71Å; L961-I987 HydrophobicContact CD1-CG1 3.81Å; L961-I987 HydrophobicContact CG-CD1 4.42Å; L961-I987 HydrophobicContact CG-CG1 4.15Å; L961-I987 WeakPolarHBondContact O-CG2 3.38Å; L961-L990 HydrophobicContact CD2-CD1 4.36Å |
| 962 | L | 94.8 | Very high | 95 | Very high | 29 Ų | 29 | 66.6 Ų | 66.6 | 15% | 0.152 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -72.2 | -17.5 | -179.3 | -62.9 | 166.2 | 0 | 0 | 0 | 113.4 | P926 G958 Q959 A960 L990 K991 | P926-L962 HydrophobicContact CB-CD1 4.2Å; P926-L962 HydrophobicContact CB-CD2 4.15Å; P926-L962 HydrophobicContact CB-CG 4.5Å; P926-L962 HydrophobicContact CG-CD1 4.27Å; P926-L962 HydrophobicContact CG-CD2 4.2Å; G958-L962 WeakPolarHBondContact O-CD1 3.3Å; G958-L962 VanDerWaalsContact O-CG 3.28Å; G958-L962 WeakPolarHBondContact O-CG 3.42Å; G958-L962 PolarHBondContact O-N 3.27Å; Q959-L962 PolarHBondContact O-N 3.41Å; A960-L962 VanDerWaalsContact C-N 3.31Å; A960-L962 PolarHBondContact O-N 3.4Å; L962-L990 HydrophobicContact CD2-CB 4.1Å; L962-L990 WeakPolarHBondContact CD2-O 3.27Å; L962-K991 HydrophobicContact CB-CD 4.45Å; L962-K991 HydrophobicContact CB-CG 4.36Å; L962-K991 HydrophobicContact CD2-CD 4.2Å; L962-K991 HydrophobicContact CD2-CG 3.47Å; L962-K991 VanDerWaalsContact CD2-CG 3.47Å; L962-K991 HydrophobicContact CG-CG 4.48Å; L962-K991 WeakPolarHBondContact O-CD 3.48Å; L962-K991 WeakPolarHBondContact O-CE 3.42Å; L962-K991 PolarHBondContact O-NZ 2.93Å |
| 963 | L | 95.1 | Very high | 94.8 | Very high | 133 Ų | 133 | 62.9 Ų | 62.9 | 70% | 0.696 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -91.7 | -15.4 | 174.3 | -64.2 | 174 | 0 | 0 | 0 | 113.2 | Q959 A960 L961 | Q959-L963 WeakPolarHBondContact O-CG 3.35Å; Q959-L963 PolarHBondContact O-N 3.34Å; A960-L963 WeakPolarHBondContact O-CA 3.39Å; A960-L963 PolarHBondContact O-N 3.03Å; L961-L963 VanDerWaalsContact C-N 3.25Å; L961-L963 PolarHBondContact O-N 2.98Å |
| 964 | L | 95.1 | Very high | 94.7 | Very high | 23 Ų | 23 | 65.2 Ų | 65.2 | 12% | 0.12 | 34% | 0.342 | C | S | . | . | trans | -64.9 | 152.3 | 178.1 | -72.4 | 174 | 0 | 0 | 0 | 112.6 | F951 I956 A960 L961 H968 L969 M973 I987 | F951-L964 HydrophobicContact CD1-CD1 4.47Å; F951-L964 HydrophobicContact CE1-CD1 3.56Å; F951-L964 HydrophobicContact CZ-CD1 4.06Å; I956-L964 HydrophobicContact CD1-CD1 4.25Å; I956-L964 HydrophobicContact CG2-CD1 4.02Å; A960-L964 WeakPolarHBondContact O-CG 3.41Å; A960-L964 PolarHBondContact O-N 2.97Å; L961-L964 HydrophobicContact CD1-CD1 4.32Å; L961-L964 WeakPolarHBondContact O-CB 3.41Å; L961-L964 PolarHBondContact O-N 3.49Å; L964-H968 HydrophobicContact CD2-CB 3.72Å; L964-L969 HydrophobicContact CB-CD2 4.47Å; L964-L969 HydrophobicContact CD1-CD2 3.98Å; L964-M973 HydrophobicContact CD1-CE 3.68Å; L964-M973 HydrophobicContact CD2-CE 3.55Å; L964-M973 HydrophobicContact CG-CE 4.29Å; L964-I987 HydrophobicContact CB-CD1 4.12Å | ||
| 965 | K | 94.6 | Very high | 94.6 | Very high | 109 Ų | 109 | 62.5 Ų | 62.5 | 47% | 0.474 | 33% | 0.33 | S | S | . | . | trans | -146.4 | 170.5 | -179.6 | -57.1 | 170.8 | 178.3 | 176.9 | 0 | 109.7 | E967 H968 L969 C984 | K965-E967 VanDerWaalsContact C-N 3.28Å; K965-E967 WeakPolarHBondContact CB-OE2 3.36Å; K965-E967 VanDerWaalsContact CD-CD 3.48Å; K965-E967 WeakPolarHBondContact CD-OE1 3.49Å; K965-E967 WeakPolarHBondContact CD-OE2 3.47Å; K965-E967 IonicContact NZ-OE1 2.78Å; K965-E967 PolarHBondContact NZ-OE1 3.41Å; K965-E967 VanDerWaalsContact NZ-OE1 3.11Å; K965-E967 PolarHBondContact O-N 2.89Å; K965-H968 PolarHBondContact O-N 3.5Å; K965-L969 PolarHBondContact O-N 3.23Å; K965-L969 VanDerWaalsContact O-N 3.15Å; K965-C984 VanDerWaalsContact C-SG 3.58Å | ||
| 966 | E | 95.3 | Very high | 94.6 | Very high | 79 Ų | 79 | 62.5 Ų | 62.5 | 37% | 0.369 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -53.1 | -42.7 | -178.8 | -170.9 | -176.1 | 143.8 | 0 | 0 | 112.7 | H968 L969 M970 L977 L981 C984 | E966-H968 VanDerWaalsContact C-N 3.3Å; E966-H968 PolarHBondContact O-N 3.46Å; E966-L969 PolarHBondContact O-N 3.13Å; E966-M970 HydrophobicContact CG-CG 4.44Å; E966-M970 HydrophobicContact CG-SD 3.83Å; E966-M970 WeakPolarHBondContact O-CB 3.45Å; E966-M970 WeakPolarHBondContact O-CG 3.46Å; E966-M970 PolarHBondContact O-N 3.49Å; E966-L977 HydrophobicContact CG-CD1 4.36Å; E966-L977 WeakPolarHBondContact OE1-CD1 3.42Å; E966-L981 WeakPolarHBondContact OE2-CD2 3.46Å; E966-C984 PolarHBondContact N-SG 3.48Å |
| 967 | E | 94.1 | Very high | 94.5 | Very high | 93 Ų | 93 | 65.8 Ų | 65.8 | 44% | 0.435 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.7 | -35.4 | 179.5 | 67.4 | -90.7 | -144.4 | 0 | 0 | 112.6 | K965 S971 | K965-E967 VanDerWaalsContact C-N 3.28Å; K965-E967 WeakPolarHBondContact CB-OE2 3.36Å; K965-E967 VanDerWaalsContact CD-CD 3.48Å; K965-E967 WeakPolarHBondContact CD-OE1 3.49Å; K965-E967 WeakPolarHBondContact CD-OE2 3.47Å; K965-E967 IonicContact NZ-OE1 2.78Å; K965-E967 PolarHBondContact NZ-OE1 3.41Å; K965-E967 VanDerWaalsContact NZ-OE1 3.11Å; K965-E967 PolarHBondContact O-N 2.89Å; E967-S971 VanDerWaalsContact O-CB 3.23Å; E967-S971 WeakPolarHBondContact O-CB 3.39Å; E967-S971 PolarHBondContact O-N 3.43Å; E967-S971 PolarHBondContact O-OG 2.92Å |
| 968 | H | 95 | Very high | 94.3 | Very high | 79 Ų | 79 | 65.6 Ų | 65.6 | 37% | 0.366 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -73.5 | -45.2 | 179.5 | -61 | -55.5 | 0 | 0 | 0 | 111.2 | L964 K965 E966 M970 A972 M973 | L964-H968 HydrophobicContact CD2-CB 3.72Å; K965-H968 PolarHBondContact O-N 3.5Å; E966-H968 VanDerWaalsContact C-N 3.3Å; E966-H968 PolarHBondContact O-N 3.46Å; H968-M970 VanDerWaalsContact C-N 3.34Å; H968-M970 PolarHBondContact O-N 2.92Å; H968-A972 WeakPolarHBondContact O-CB 3.49Å; H968-A972 PolarHBondContact O-N 3.39Å; H968-M973 PolarHBondContact O-N 3.05Å |
| 969 | L | 95.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.7 | -44.3 | 175.7 | -57.4 | -172.5 | 0 | 0 | 0 | 111.4 | F951 L964 K965 E966 M973 N974 I975 A980 I983 C984 | F951-L969 HydrophobicContact CE2-CD2 4.29Å; F951-L969 HydrophobicContact CZ-CD2 3.66Å; L964-L969 HydrophobicContact CB-CD2 4.47Å; L964-L969 HydrophobicContact CD1-CD2 3.98Å; K965-L969 PolarHBondContact O-N 3.23Å; K965-L969 VanDerWaalsContact O-N 3.15Å; E966-L969 PolarHBondContact O-N 3.13Å; L969-M973 HydrophobicContact CD2-CE 3.66Å; L969-M973 HydrophobicContact CD2-SD 3.58Å; L969-M973 VanDerWaalsContact CD2-SD 3.58Å; L969-M973 WeakPolarHBondContact O-CB 3.48Å; L969-N974 PolarHBondContact O-N 3.46Å; L969-I975 HydrophobicContact CB-CB 4.43Å; L969-I975 HydrophobicContact CB-CD1 4.12Å; L969-I975 HydrophobicContact CD2-CD1 4.22Å; L969-I975 WeakPolarHBondContact O-CB 3.44Å; L969-I975 PolarHBondContact O-N 3.23Å; L969-A980 HydrophobicContact CB-CB 3.8Å; L969-A980 HydrophobicContact CD1-CB 3.94Å; L969-A980 WeakPolarHBondContact CD1-O 3.35Å; L969-I983 HydrophobicContact CD1-CB 3.84Å; L969-I983 HydrophobicContact CD1-CG2 3.78Å; L969-C984 VanDerWaalsContact CD1-SG 3.54Å |
| 970 | M | 95.3 | Very high | 94.3 | Very high | 74 Ų | 74 | 61.8 Ų | 61.8 | 37% | 0.365 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -79.3 | -34.9 | -175.7 | -70.4 | -175.6 | 57.6 | 0 | 0 | 114.3 | E966 H968 N974 L977 A980 | E966-M970 HydrophobicContact CG-CG 4.44Å; E966-M970 HydrophobicContact CG-SD 3.83Å; E966-M970 WeakPolarHBondContact O-CB 3.45Å; E966-M970 WeakPolarHBondContact O-CG 3.46Å; E966-M970 PolarHBondContact O-N 3.49Å; H968-M970 VanDerWaalsContact C-N 3.34Å; H968-M970 PolarHBondContact O-N 2.92Å; M970-N974 WeakPolarHBondContact O-CA 3.48Å; M970-L977 HydrophobicContact CE-CB 3.97Å; M970-L977 HydrophobicContact CE-CD1 4.24Å; M970-L977 HydrophobicContact SD-CB 3.94Å; M970-L977 HydrophobicContact SD-CD1 3.51Å; M970-L977 VanDerWaalsContact SD-CD1 3.51Å; M970-L977 HydrophobicContact SD-CG 4.33Å; M970-A980 HydrophobicContact CG-CB 3.88Å |
| 971 | S | 92.1 | Very high | 94.3 | Very high | 93 Ų | 93 | 64 Ų | 64 | 65% | 0.65 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -95.6 | -41.7 | -174.2 | 69.3 | 0 | 0 | 0 | 0 | 114.5 | E967 | E967-S971 VanDerWaalsContact O-CB 3.23Å; E967-S971 WeakPolarHBondContact O-CB 3.39Å; E967-S971 PolarHBondContact O-N 3.43Å; E967-S971 PolarHBondContact O-OG 2.92Å |
| 972 | A | 88.9 | Confident | 94.2 | Very high | 66 Ų | 66 | 68.4 Ų | 68.4 | 55% | 0.545 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -48.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | H968 | H968-A972 WeakPolarHBondContact O-CB 3.49Å; H968-A972 PolarHBondContact O-N 3.39Å |
| 973 | M | 92 | Very high | 94.2 | Very high | 9 Ų | 9 | 67 Ų | 67 | 4% | 0.044 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -88.2 | -4.7 | -178.2 | -39.8 | -177.7 | -171.6 | 0 | 0 | 113.7 | E950 F951 I956 L964 H968 L969 I975 | E950-M973 HydrophobicContact CG-CB 4.02Å; F951-M973 HydrophobicContact CD2-SD 4.16Å; F951-M973 HydrophobicContact CE2-SD 3.68Å; F951-M973 HydrophobicContact CZ-CE 4.33Å; F951-M973 HydrophobicContact CZ-SD 3.92Å; I956-M973 HydrophobicContact CD1-CE 3.25Å; I956-M973 HydrophobicContact CD1-SD 4.12Å; L964-M973 HydrophobicContact CD1-CE 3.68Å; L964-M973 HydrophobicContact CD2-CE 3.55Å; L964-M973 HydrophobicContact CG-CE 4.29Å; H968-M973 PolarHBondContact O-N 3.05Å; L969-M973 HydrophobicContact CD2-CE 3.66Å; L969-M973 HydrophobicContact CD2-SD 3.58Å; L969-M973 VanDerWaalsContact CD2-SD 3.58Å; L969-M973 WeakPolarHBondContact O-CB 3.48Å; M973-I975 HydrophobicContact CB-CD1 3.57Å; M973-I975 HydrophobicContact CB-CG1 3.73Å; M973-I975 HydrophobicContact CG-CD1 4.14Å; M973-I975 PolarHBondContact O-N 3.08Å; M973-I975 HydrophobicContact SD-CD1 3.54Å; M973-I975 VanDerWaalsContact SD-CD1 3.54Å |
| 974 | N | 92.6 | Very high | 94.1 | Very high | 132 Ų | 132 | 61.5 Ų | 61.5 | 71% | 0.706 | 33% | 0.33 | S | S | * | . | trans | 54 | 28.5 | -177.9 | -167.1 | 99.5 | 0 | 0 | 0 | 112.6 | L969 M970 | L969-N974 PolarHBondContact O-N 3.46Å; M970-N974 WeakPolarHBondContact O-CA 3.48Å | ||
| 975 | I | 94.4 | Very high | 94.1 | Very high | 14 Ų | 14 | 63 Ų | 63 | 7% | 0.072 | 35% | 0.346 | C | S | . | . | trans | -72.7 | 144 | 177.9 | -64.1 | 161.7 | 0 | 0 | 0 | 109.2 | I947 F951 L969 M973 P979 A980 | I947-I975 HydrophobicContact CD1-CG2 4.01Å; I947-I975 HydrophobicContact CG2-CD1 3.44Å; I947-I975 VanDerWaalsContact CG2-CD1 3.44Å; I947-I975 HydrophobicContact CG2-CG1 3.79Å; F951-I975 HydrophobicContact CE2-CD1 3.88Å; L969-I975 HydrophobicContact CB-CB 4.43Å; L969-I975 HydrophobicContact CB-CD1 4.12Å; L969-I975 HydrophobicContact CD2-CD1 4.22Å; L969-I975 WeakPolarHBondContact O-CB 3.44Å; L969-I975 PolarHBondContact O-N 3.23Å; M973-I975 HydrophobicContact CB-CD1 3.57Å; M973-I975 HydrophobicContact CB-CG1 3.73Å; M973-I975 HydrophobicContact CG-CD1 4.14Å; M973-I975 PolarHBondContact O-N 3.08Å; M973-I975 HydrophobicContact SD-CD1 3.54Å; M973-I975 VanDerWaalsContact SD-CD1 3.54Å; I975-P979 HydrophobicContact CG2-CB 3.96Å; I975-A980 HydrophobicContact CG2-CB 4.06Å | ||
| 976 | K | 95.4 | Very high | 94 | Very high | 165 Ų | 165 | 59.3 Ų | 59.3 | 72% | 0.717 | 33% | 0.33 | S | S | * | . | trans | -71.5 | 143.7 | 177 | -65 | 164.8 | -171.3 | 155 | 0 | 110.2 | G978 P979 A980 | K976-G978 VanDerWaalsContact C-N 3.28Å; K976-G978 PolarHBondContact O-N 3.26Å; K976-G978 VanDerWaalsContact O-N 3.09Å; K976-P979 VanDerWaalsContact O-CD 3.24Å; K976-P979 WeakPolarHBondContact O-CD 3.28Å; K976-A980 WeakPolarHBondContact O-CB 3.43Å; K976-A980 PolarHBondContact O-N 2.99Å | ||
| 977 | L | 93.8 | Very high | 93.9 | Very high | 82 Ų | 82 | 55.6 Ų | 55.6 | 43% | 0.429 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -42.9 | -47.1 | 179.4 | 178.4 | 63.1 | 0 | 0 | 0 | 114.2 | E966 M970 A980 L981 | E966-L977 HydrophobicContact CG-CD1 4.36Å; E966-L977 WeakPolarHBondContact OE1-CD1 3.42Å; M970-L977 HydrophobicContact CE-CB 3.97Å; M970-L977 HydrophobicContact CE-CD1 4.24Å; M970-L977 HydrophobicContact SD-CB 3.94Å; M970-L977 HydrophobicContact SD-CD1 3.51Å; M970-L977 VanDerWaalsContact SD-CD1 3.51Å; M970-L977 HydrophobicContact SD-CG 4.33Å; L977-A980 PolarHBondContact O-N 3.47Å; L977-L981 HydrophobicContact CD1-CD1 3.73Å; L977-L981 HydrophobicContact CD1-CD2 4.42Å; L977-L981 HydrophobicContact CD1-CG 3.83Å; L977-L981 HydrophobicContact CG-CD1 3.86Å; L977-L981 HydrophobicContact CG-CG 4.35Å; L977-L981 WeakPolarHBondContact O-CB 3.44Å; L977-L981 VanDerWaalsContact O-CG 3.32Å; L977-L981 WeakPolarHBondContact O-CG 3.49Å; L977-L981 PolarHBondContact O-N 3.42Å |
| 978 | G | 93.8 | Very high | 93.8 | Very high | 43 Ų | 43 | 55.2 Ų | 55.2 | 44% | 0.443 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.5 | -61.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | K976 A980 L981 K982 | K976-G978 VanDerWaalsContact C-N 3.28Å; K976-G978 PolarHBondContact O-N 3.26Å; K976-G978 VanDerWaalsContact O-N 3.09Å; G978-A980 VanDerWaalsContact C-N 3.31Å; G978-A980 PolarHBondContact O-N 3.31Å; G978-L981 PolarHBondContact O-N 2.93Å; G978-K982 PolarHBondContact O-N 3.01Å; G978-K982 VanDerWaalsContact O-N 3.08Å |
| 979 | P | 94.5 | Very high | 93.6 | Very high | 38 Ų | 38 | 52.3 Ų | 52.3 | 25% | 0.247 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.1 | -35.9 | 171.7 | -28.2 | 34.8 | 0 | 0 | 0 | 114.7 | I947 I975 K976 K982 I983 | I947-P979 HydrophobicContact CD1-CB 3.46Å; I947-P979 VanDerWaalsContact CD1-CB 3.46Å; I947-P979 HydrophobicContact CD1-CG 4.22Å; I975-P979 HydrophobicContact CG2-CB 3.96Å; K976-P979 VanDerWaalsContact O-CD 3.24Å; K976-P979 WeakPolarHBondContact O-CD 3.28Å; P979-K982 PolarHBondContact O-N 3.39Å; P979-I983 VanDerWaalsContact O-CG1 3.31Å; P979-I983 WeakPolarHBondContact O-CG1 3.34Å; P979-I983 PolarHBondContact O-N 2.87Å |
| 980 | A | 95.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.8 | -50.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L969 M970 I975 K976 L977 G978 K982 I983 C984 | L969-A980 HydrophobicContact CB-CB 3.8Å; L969-A980 HydrophobicContact CD1-CB 3.94Å; L969-A980 WeakPolarHBondContact CD1-O 3.35Å; M970-A980 HydrophobicContact CG-CB 3.88Å; I975-A980 HydrophobicContact CG2-CB 4.06Å; K976-A980 WeakPolarHBondContact O-CB 3.43Å; K976-A980 PolarHBondContact O-N 2.99Å; L977-A980 PolarHBondContact O-N 3.47Å; G978-A980 VanDerWaalsContact C-N 3.31Å; G978-A980 PolarHBondContact O-N 3.31Å; A980-K982 VanDerWaalsContact C-N 3.32Å; A980-K982 PolarHBondContact O-N 3.48Å; A980-I983 PolarHBondContact O-N 3.14Å; A980-I983 VanDerWaalsContact O-N 3.14Å; A980-C984 PolarHBondContact O-N 2.96Å; A980-C984 PolarHBondContact O-SG 3.39Å |
| 981 | L | 95.3 | Very high | 93 | Very high | 84 Ų | 84 | 54.2 Ų | 54.2 | 44% | 0.44 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.9 | -40.7 | 174.3 | -72.4 | 170.9 | 0 | 0 | 0 | 112.2 | E966 L977 G978 I983 A985 | E966-L981 WeakPolarHBondContact OE2-CD2 3.46Å; L977-L981 HydrophobicContact CD1-CD1 3.73Å; L977-L981 HydrophobicContact CD1-CD2 4.42Å; L977-L981 HydrophobicContact CD1-CG 3.83Å; L977-L981 HydrophobicContact CG-CD1 3.86Å; L977-L981 HydrophobicContact CG-CG 4.35Å; L977-L981 WeakPolarHBondContact O-CB 3.44Å; L977-L981 VanDerWaalsContact O-CG 3.32Å; L977-L981 WeakPolarHBondContact O-CG 3.49Å; L977-L981 PolarHBondContact O-N 3.42Å; G978-L981 PolarHBondContact O-N 2.93Å; L981-I983 PolarHBondContact O-N 3.27Å; L981-A985 VanDerWaalsContact O-CB 3.3Å; L981-A985 WeakPolarHBondContact O-CB 3.47Å; L981-A985 PolarHBondContact O-N 3.26Å |
| 982 | K | 94.3 | Very high | 92.5 | Very high | 92 Ų | 92 | 57.6 Ų | 57.6 | 40% | 0.4 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.3 | -44.7 | 174.5 | -72.6 | -170.6 | 72.7 | 176 | 0 | 111.7 | Q942 G978 P979 A980 K986 | Q942-K982 PolarHBondContact O-NZ 3.31Å; G978-K982 PolarHBondContact O-N 3.01Å; G978-K982 VanDerWaalsContact O-N 3.08Å; P979-K982 PolarHBondContact O-N 3.39Å; A980-K982 VanDerWaalsContact C-N 3.32Å; A980-K982 PolarHBondContact O-N 3.48Å; K982-K986 WeakPolarHBondContact O-CG 3.25Å; K982-K986 PolarHBondContact O-N 2.92Å |
| 983 | I | 94.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.3 | -48.9 | -179.9 | -68.7 | 164 | 0 | 0 | 0 | 110.3 | I938 L941 I947 F951 L969 P979 A980 L981 A985 K986 I987 | I938-I983 HydrophobicContact CD1-CD1 4.3Å; I938-I983 HydrophobicContact CD1-CG1 4.08Å; I938-I983 HydrophobicContact CD1-CG2 3.72Å; I938-I983 HydrophobicContact CG2-CD1 4.47Å; L941-I983 HydrophobicContact CD1-CG1 4.18Å; I947-I983 HydrophobicContact CD1-CD1 4.35Å; I947-I983 HydrophobicContact CG2-CD1 4.21Å; F951-I983 HydrophobicContact CE2-CD1 4.22Å; F951-I983 HydrophobicContact CZ-CD1 4.43Å; F951-I983 HydrophobicContact CZ-CG2 4.07Å; L969-I983 HydrophobicContact CD1-CB 3.84Å; L969-I983 HydrophobicContact CD1-CG2 3.78Å; P979-I983 VanDerWaalsContact O-CG1 3.31Å; P979-I983 WeakPolarHBondContact O-CG1 3.34Å; P979-I983 PolarHBondContact O-N 2.87Å; A980-I983 PolarHBondContact O-N 3.14Å; A980-I983 VanDerWaalsContact O-N 3.14Å; L981-I983 PolarHBondContact O-N 3.27Å; I983-A985 VanDerWaalsContact C-N 3.3Å; I983-A985 PolarHBondContact O-N 3.05Å; I983-K986 PolarHBondContact O-N 2.9Å; I983-I987 HydrophobicContact CG2-CD1 3.64Å; I983-I987 HydrophobicContact CG2-CG1 4.27Å; I983-I987 WeakPolarHBondContact O-CG1 3.49Å; I983-I987 PolarHBondContact O-N 3.46Å |
| 984 | C | 94.5 | Very high | 91.5 | Very high | 17 Ų | 17 | 62.6 Ų | 62.6 | 12% | 0.115 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57.1 | -40.5 | 175.8 | -69.7 | 0 | 0 | 0 | 0 | 112.8 | K965 E966 L969 A980 K986 I987 N988 | K965-C984 VanDerWaalsContact C-SG 3.58Å; E966-C984 PolarHBondContact N-SG 3.48Å; L969-C984 VanDerWaalsContact CD1-SG 3.54Å; A980-C984 PolarHBondContact O-N 2.96Å; A980-C984 PolarHBondContact O-SG 3.39Å; C984-K986 VanDerWaalsContact C-N 3.27Å; C984-K986 PolarHBondContact O-N 3.48Å; C984-I987 PolarHBondContact O-N 3.28Å; C984-N988 PolarHBondContact O-N 3.03Å |
| 985 | A | 94.1 | Very high | 91.5 | Very high | 54 Ų | 54 | 58.9 Ų | 58.9 | 45% | 0.446 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.9 | -33.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L981 I983 V989 | L981-A985 VanDerWaalsContact O-CB 3.3Å; L981-A985 WeakPolarHBondContact O-CB 3.47Å; L981-A985 PolarHBondContact O-N 3.26Å; I983-A985 VanDerWaalsContact C-N 3.3Å; I983-A985 PolarHBondContact O-N 3.05Å; A985-V989 WeakPolarHBondContact O-CG2 3.07Å |
| 986 | K | 92.3 | Very high | 91.3 | Very high | 32 Ų | 32 | 61.4 Ų | 61.4 | 14% | 0.139 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -77.8 | -35.5 | 173.3 | -57.8 | -50.6 | -157.1 | 163.8 | 0 | 113.1 | H915 G916 I917 F937 L941 K982 I983 C984 N988 V989 L990 | H915-K986 VanDerWaalsContact CA-NZ 3.34Å; G916-K986 VanDerWaalsContact C-NZ 3.28Å; G916-K986 VanDerWaalsContact O-CE 3.26Å; G916-K986 WeakPolarHBondContact O-CE 3.45Å; G916-K986 PolarHBondContact O-NZ 3.1Å; I917-K986 HydrophobicContact CD1-CB 4.29Å; I917-K986 HydrophobicContact CD1-CD 3.97Å; I917-K986 HydrophobicContact CG1-CB 4.48Å; I917-K986 HydrophobicContact CG1-CD 3.76Å; I917-K986 HydrophobicContact CG1-CG 4.28Å; F937-K986 HydrophobicContact CZ-CB 3.78Å; L941-K986 HydrophobicContact CD1-CB 4.2Å; L941-K986 HydrophobicContact CD1-CG 3.77Å; L941-K986 HydrophobicContact CD2-CD 4.46Å; L941-K986 HydrophobicContact CD2-CG 3.83Å; L941-K986 HydrophobicContact CG-CG 4.45Å; K982-K986 WeakPolarHBondContact O-CG 3.25Å; K982-K986 PolarHBondContact O-N 2.92Å; I983-K986 PolarHBondContact O-N 2.9Å; C984-K986 VanDerWaalsContact C-N 3.27Å; C984-K986 PolarHBondContact O-N 3.48Å; K986-N988 VanDerWaalsContact C-N 3.31Å; K986-N988 PolarHBondContact O-N 3.42Å; K986-V989 WeakPolarHBondContact O-CB 3.21Å; K986-V989 PolarHBondContact O-N 3.38Å; K986-L990 WeakPolarHBondContact O-CG 3.25Å; K986-L990 PolarHBondContact O-N 3.34Å |
| 987 | I | 93.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.2 | -40.2 | 175.6 | -68.7 | 166.1 | 0 | 0 | 0 | 110.5 | L961 L964 I983 C984 V989 L990 K991 | L961-I987 HydrophobicContact CD1-CD1 3.71Å; L961-I987 HydrophobicContact CD1-CG1 3.81Å; L961-I987 HydrophobicContact CG-CD1 4.42Å; L961-I987 HydrophobicContact CG-CG1 4.15Å; L961-I987 WeakPolarHBondContact O-CG2 3.38Å; L964-I987 HydrophobicContact CB-CD1 4.12Å; I983-I987 HydrophobicContact CG2-CD1 3.64Å; I983-I987 HydrophobicContact CG2-CG1 4.27Å; I983-I987 WeakPolarHBondContact O-CG1 3.49Å; I983-I987 PolarHBondContact O-N 3.46Å; C984-I987 PolarHBondContact O-N 3.28Å; I987-V989 PolarHBondContact O-N 3.47Å; I987-L990 CarbonylContact O-C 3.07Å; I987-L990 PolarHBondContact O-N 3.45Å; I987-K991 HydrophobicContact CG2-CD 3.8Å; I987-K991 WeakPolarHBondContact O-CD 3.42Å; I987-K991 VanDerWaalsContact O-CG 3.25Å; I987-K991 WeakPolarHBondContact O-CG 3.47Å; I987-K991 PolarHBondContact O-N 3.48Å |
| 988 | N | 92.2 | Very high | 90.9 | Very high | 86 Ų | 86 | 53.7 Ų | 53.7 | 46% | 0.46 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 175.6 | -70.3 | -12.1 | 0 | 0 | 0 | 111.9 | C984 K986 L990 K991 E992 | C984-N988 PolarHBondContact O-N 3.03Å; K986-N988 VanDerWaalsContact C-N 3.31Å; K986-N988 PolarHBondContact O-N 3.42Å; N988-L990 VanDerWaalsContact C-N 3.34Å; N988-L990 PolarHBondContact O-N 3.36Å; N988-K991 WeakPolarHBondContact O-CA 3.36Å; N988-K991 WeakPolarHBondContact O-CB 3.4Å; N988-K991 PolarHBondContact O-N 3.02Å; N988-E992 PolarHBondContact O-N 2.95Å |
| 989 | V | 90.5 | Very high | 90.7 | Very high | 17 Ų | 17 | 54.4 Ų | 54.4 | 10% | 0.103 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 174.7 | 172.6 | 0 | 0 | 0 | 0 | 111.4 | H915 I917 A985 K986 I987 K991 E992 T993 | H915-V989 WeakPolarHBondContact ND1-CG1 3.22Å; H915-V989 VanDerWaalsContact NE2-CG2 3.27Å; H915-V989 WeakPolarHBondContact NE2-CG2 3.27Å; I917-V989 HydrophobicContact CD1-CG1 4.15Å; A985-V989 WeakPolarHBondContact O-CG2 3.07Å; K986-V989 WeakPolarHBondContact O-CB 3.21Å; K986-V989 PolarHBondContact O-N 3.38Å; I987-V989 PolarHBondContact O-N 3.47Å; V989-K991 PolarHBondContact O-N 3.41Å; V989-K991 VanDerWaalsContact O-N 3.12Å; V989-E992 PolarHBondContact O-N 3.02Å; V989-E992 VanDerWaalsContact O-N 3.09Å; V989-T993 PolarHBondContact O-N 3.08Å; V989-T993 PolarHBondContact O-OG1 2.63Å |
| 990 | L | 89.6 | Confident | 90.4 | Very high | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -2 | 174 | -68.1 | 175.6 | 0 | 0 | 0 | 114.6 | L922 P926 W929 F937 L961 L962 K986 I987 N988 | L922-L990 HydrophobicContact CD2-CD2 4.04Å; P926-L990 HydrophobicContact CB-CB 4.41Å; P926-L990 HydrophobicContact CG-CB 4.31Å; P926-L990 WeakPolarHBondContact CG-O 3.38Å; W929-L990 HydrophobicContact CH2-CD1 3.45Å; W929-L990 VanDerWaalsContact CH2-CD1 3.45Å; W929-L990 HydrophobicContact CH2-CD2 3.69Å; W929-L990 HydrophobicContact CH2-CG 4.23Å; W929-L990 HydrophobicContact CZ2-CD2 4.17Å; W929-L990 HydrophobicContact CZ3-CD1 3.66Å; F937-L990 HydrophobicContact CD2-CD1 4.37Å; F937-L990 HydrophobicContact CE1-CD1 3.88Å; F937-L990 HydrophobicContact CE2-CD1 3.66Å; F937-L990 HydrophobicContact CE2-CG 4.43Å; F937-L990 HydrophobicContact CZ-CD1 3.37Å; F937-L990 HydrophobicContact CZ-CG 4.33Å; L961-L990 HydrophobicContact CD2-CD1 4.36Å; L962-L990 HydrophobicContact CD2-CB 4.1Å; L962-L990 WeakPolarHBondContact CD2-O 3.27Å; K986-L990 WeakPolarHBondContact O-CG 3.25Å; K986-L990 PolarHBondContact O-N 3.34Å; I987-L990 CarbonylContact O-C 3.07Å; I987-L990 PolarHBondContact O-N 3.45Å; N988-L990 VanDerWaalsContact C-N 3.34Å; N988-L990 PolarHBondContact O-N 3.36Å |
| 991 | K | 88.2 | Confident | 90 | Very high | 113 Ų | 113 | 59.8 Ų | 59.8 | 49% | 0.491 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | -7.5 | 174 | -67.3 | 162.8 | 68.1 | 162.2 | 0 | 112.3 | L962 I987 N988 V989 | L962-K991 HydrophobicContact CB-CD 4.45Å; L962-K991 HydrophobicContact CB-CG 4.36Å; L962-K991 HydrophobicContact CD2-CD 4.2Å; L962-K991 HydrophobicContact CD2-CG 3.47Å; L962-K991 VanDerWaalsContact CD2-CG 3.47Å; L962-K991 HydrophobicContact CG-CG 4.48Å; L962-K991 WeakPolarHBondContact O-CD 3.48Å; L962-K991 WeakPolarHBondContact O-CE 3.42Å; L962-K991 PolarHBondContact O-NZ 2.93Å; I987-K991 HydrophobicContact CG2-CD 3.8Å; I987-K991 WeakPolarHBondContact O-CD 3.42Å; I987-K991 VanDerWaalsContact O-CG 3.25Å; I987-K991 WeakPolarHBondContact O-CG 3.47Å; I987-K991 PolarHBondContact O-N 3.48Å; N988-K991 WeakPolarHBondContact O-CA 3.36Å; N988-K991 WeakPolarHBondContact O-CB 3.4Å; N988-K991 PolarHBondContact O-N 3.02Å; V989-K991 PolarHBondContact O-N 3.41Å; V989-K991 VanDerWaalsContact O-N 3.12Å |
| 992 | E | 81.9 | Confident | 89.6 | Confident | 164 Ų | 164 | 57.8 Ų | 57.8 | 77% | 0.766 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | -6.5 | 172.8 | -68 | 168.7 | -174.7 | 0 | 0 | 111.4 | N988 V989 | N988-E992 PolarHBondContact O-N 2.95Å; V989-E992 PolarHBondContact O-N 3.02Å; V989-E992 VanDerWaalsContact O-N 3.09Å |
| 993 | T | 68.9 | Low | 89.2 | Confident | 117 Ų | 117 | 54.7 Ų | 54.7 | 72% | 0.718 | 30% | 0.295 | S | S | * | . | trans | -108.5 | 0 | 172.7 | 58.7 | 0 | 0 | 0 | 0 | 112.3 | V989 | V989-T993 PolarHBondContact O-N 3.08Å; V989-T993 PolarHBondContact O-OG1 2.63Å |
Retrieved 993 of 993 residues in 798.4 ms
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