| 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 | 30.8 | Very low | 26.7 | Very low | 254 Ų | 254 | 154.7 Ų | 154.7 | 100% | 1.251 | 81% | 0.806 | S | S | * | * | 0 | -172.2 | 0 | -78.5 | 175.7 | 167.5 | 0 | 0 | 108.2 | |||||
| 2 | A | 29.5 | Very low | 26.5 | Very low | 87 Ų | 87 | 156.4 Ų | 156.4 | 72% | 0.719 | 81% | 0.807 | S | S | * | * | trans | -74.2 | 150.4 | -159.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 3 | F | 29.8 | Very low | 26.5 | Very low | 186 Ų | 186 | 153.5 Ų | 153.5 | 82% | 0.816 | 81% | 0.807 | S | S | * | * | trans | 45 | 120.8 | 139 | -75.9 | -107.3 | 0 | 0 | 0 | 122.8 | ||||
| 4 | N | 28 | Very low | 26.5 | Very low | 120 Ų | 120 | 150.9 Ų | 150.9 | 64% | 0.642 | 80% | 0.799 | S | S | * | * | 36.2 | 149.8 | 100.4 | -64.3 | 5.2 | 0 | 0 | 0 | 120.4 | |||||
| 5 | F | 28.3 | Very low | 26.7 | Very low | 179 Ų | 179 | 152.3 Ų | 152.3 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | cis | -151.7 | -159.6 | 3.9 | -128.1 | -47.8 | 0 | 0 | 0 | 112.9 | ||||
| 6 | H | 25.2 | Very low | 26.9 | Very low | 164 Ų | 164 | 150.9 Ų | 150.9 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | trans | -100.8 | 141.8 | -163.4 | -83.8 | -7.2 | 0 | 0 | 0 | 116.4 | ||||
| 7 | D | 24.8 | Very low | 26.9 | Very low | 135 Ų | 135 | 151.8 Ų | 151.8 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | 54.7 | 161.8 | 109.6 | -144.4 | 6.5 | 0 | 0 | 0 | 123.6 | |||||
| 8 | M | 23 | Very low | 27.2 | Very low | 151 Ų | 151 | 150.3 Ų | 150.3 | 74% | 0.744 | 80% | 0.795 | S | S | * | * | trans | 85.7 | 112.1 | 159.3 | -75.6 | -75.5 | 167.8 | 0 | 0 | 122.8 | ||||
| 9 | S | 27.3 | Very low | 27.5 | Very low | 111 Ų | 111 | 147.8 Ų | 147.8 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | 112.6 | 114.6 | 129.8 | -62 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 10 | D | 23.6 | Very low | 27.7 | Very low | 162 Ų | 162 | 144 Ų | 144 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | trans | -91.4 | 156.4 | 166.6 | -56 | -81.9 | 0 | 0 | 0 | 113 | ||||
| 11 | I | 23.5 | Very low | 27.7 | Very low | 153 Ų | 153 | 142.3 Ų | 142.3 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | -163.5 | 139.1 | 144.5 | -111.3 | 162.7 | 0 | 0 | 0 | 111.1 | ||||
| 12 | Q | 24.4 | Very low | 27.8 | Very low | 175 Ų | 175 | 136.8 Ų | 136.8 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | 48.8 | 126.3 | 164.8 | -69.3 | 171 | -24.3 | 0 | 0 | 118.9 | ||||
| 13 | C | 25.7 | Very low | 27.8 | Very low | 119 Ų | 119 | 137.9 Ų | 137.9 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | -154.1 | 142.7 | 79.3 | -84.8 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 14 | V | 27.1 | Very low | 28.2 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 70% | 0.703 | 76% | 0.76 | S | S | * | * | trans | 24.8 | 123.6 | 140.4 | -170.1 | 0 | 0 | 0 | 0 | 119.1 | Q16 | V14-Q16 HydrophobicContact CG1-CB 4.03Å; V14-Q16 HydrophobicContact CG1-CG 4.3Å | ||
| 15 | D | 29.6 | Very low | 29.2 | Very low | 172 Ų | 172 | 130.9 Ų | 130.9 | 92% | 0.92 | 75% | 0.749 | S | S | * | * | trans | -120.4 | 147.1 | 141 | -135.7 | -27 | 0 | 0 | 0 | 108.1 | ||||
| 16 | Q | 29.4 | Very low | 30.2 | Very low | 131 Ų | 131 | 127.1 Ų | 127.1 | 61% | 0.612 | 74% | 0.741 | S | S | * | * | trans | -136.3 | 150.1 | -161.9 | -140.2 | -168.2 | 46.4 | 0 | 0 | 114.1 | V14 | V14-Q16 HydrophobicContact CG1-CB 4.03Å; V14-Q16 HydrophobicContact CG1-CG 4.3Å | ||
| 17 | K | 28.3 | Very low | 32.2 | Very low | 165 Ų | 165 | 121.4 Ų | 121.4 | 72% | 0.717 | 73% | 0.726 | S | S | * | * | trans | 72.3 | 120.1 | 162.9 | -65.4 | 161.5 | 170.9 | 132.8 | 0 | 118.9 | ||||
| 18 | S | 32.3 | Very low | 34.2 | Very low | 125 Ų | 125 | 119.7 Ų | 119.7 | 87% | 0.874 | 71% | 0.714 | S | S | * | * | -128.3 | 119.2 | 106.3 | 61.7 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 19 | S | 32.5 | Very low | 36.5 | Very low | 103 Ų | 103 | 116.2 Ų | 116.2 | 72% | 0.72 | 70% | 0.696 | S | S | * | * | trans | -96.3 | 132.1 | -166.6 | 49.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 20 | G | 30.5 | Very low | 38.7 | Very low | 72 Ų | 72 | 115.5 Ų | 115.5 | 74% | 0.742 | 68% | 0.68 | S | S | * | * | trans | -105.2 | 75.6 | 168 | 0 | 0 | 0 | 0 | 0 | 112.6 | D22 | G20-D22 PolarHBondContact O-N 3.37Š| ||
| 21 | S | 27.3 | Very low | 41.2 | Very low | 108 Ų | 108 | 114.6 Ų | 114.6 | 76% | 0.755 | 67% | 0.665 | S | S | * | * | trans | 48.6 | 43.4 | 156.5 | -52.7 | 0 | 0 | 0 | 0 | 120.7 | S23 | S21-S23 PolarHBondContact O-N 2.8Š| ||
| 22 | D | 33.3 | Very low | 43.9 | Very low | 139 Ų | 139 | 108.5 Ų | 108.5 | 74% | 0.743 | 63% | 0.633 | S | S | * | * | trans | -76.7 | 92.9 | 152.3 | -77.5 | -49.4 | 0 | 0 | 0 | 109.6 | G20 | G20-D22 PolarHBondContact O-N 3.37Š| ||
| 23 | S | 30.8 | Very low | 46.7 | Very low | 110 Ų | 110 | 104.5 Ų | 104.5 | 77% | 0.769 | 61% | 0.611 | S | S | * | * | trans | -116.4 | 20.2 | -178.6 | 63 | 0 | 0 | 0 | 0 | 114.4 | S21 | S21-S23 PolarHBondContact O-N 2.8Š| ||
| 24 | S | 38 | Very low | 49.2 | Very low | 101 Ų | 101 | 104.4 Ų | 104.4 | 71% | 0.706 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -119.1 | -19.5 | 173.2 | 55.3 | 0 | 0 | 0 | 0 | 113.9 | ||
| 25 | S | 48.6 | Very low | 51.9 | Low | 57 Ų | 57 | 103.3 Ų | 103.3 | 40% | 0.399 | 59% | 0.588 | S | S | . | * | S | Bend | trans | -73.3 | -35 | -171 | 55.3 | 0 | 0 | 0 | 0 | 114.4 | G27 E28 E29 | S25-G27 VanDerWaalsContact C-N 3.3Å; S25-G27 PolarHBondContact O-N 3.17Å; S25-E28 WeakPolarHBondContact O-CA 3.2Å; S25-E28 PolarHBondContact O-N 3.11Å; S25-E29 PolarHBondContact O-N 3.32Å |
| 26 | T | 50 | Low | 54.5 | Low | 101 Ų | 101 | 95.4 Ų | 95.4 | 62% | 0.62 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -60.4 | -37.1 | -176.7 | 53 | 0 | 0 | 0 | 0 | 113 | E28 E30 | T26-E28 VanDerWaalsContact C-N 3.28Å; T26-E28 PolarHBondContact O-N 2.7Å; T26-E30 VanDerWaalsContact O-CB 3.31Å; T26-E30 WeakPolarHBondContact O-CB 3.48Å; T26-E30 PolarHBondContact O-N 3.04Å |
| 27 | G | 65.9 | Low | 56.9 | Low | 44 Ų | 44 | 93 Ų | 93 | 45% | 0.454 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -73.3 | -16.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S25 R31 | S25-G27 VanDerWaalsContact C-N 3.3Å; S25-G27 PolarHBondContact O-N 3.17Å; G27-R31 WeakPolarHBondContact O-CD 3.45Å; G27-R31 WeakPolarHBondContact O-CG 3.46Å |
| 28 | E | 66.6 | Low | 59.3 | Low | 98 Ų | 98 | 88.9 Ų | 88.9 | 46% | 0.458 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -92.1 | -42.6 | 173 | -158.2 | -169.4 | -121.8 | 0 | 0 | 111.4 | S25 T26 E30 R31 L32 R89 | S25-E28 WeakPolarHBondContact O-CA 3.2Å; S25-E28 PolarHBondContact O-N 3.11Å; T26-E28 VanDerWaalsContact C-N 3.28Å; T26-E28 PolarHBondContact O-N 2.7Å; E28-E30 PolarHBondContact O-N 3.35Å; E28-R31 PolarHBondContact O-N 3.02Å; E28-L32 HydrophobicContact CG-CD1 4.4Å; E28-L32 WeakPolarHBondContact O-CG 3.31Å; E28-L32 PolarHBondContact O-N 3.02Å; E28-R89 VanDerWaalsContact CD-NH2 3.28Å; E28-R89 IonicContact OE1-NH2 2.76Å; E28-R89 PolarHBondContact OE1-NH2 3.49Å; E28-R89 IonicContact OE2-CZ 3.14Å; E28-R89 IonicContact OE2-NH1 2.71Å; E28-R89 PolarHBondContact OE2-NH1 3.05Å; E28-R89 IonicContact OE2-NH2 3.42Å; E28-R89 PolarHBondContact OE2-NH2 3.17Å |
| 29 | E | 72.5 | Confident | 61.4 | Low | 78 Ų | 78 | 84 Ų | 84 | 36% | 0.364 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.6 | -45.6 | 174.2 | -164.4 | -160.3 | 139.9 | 0 | 0 | 111.1 | S25 R31 L32 R33 F82 L86 | S25-E29 PolarHBondContact O-N 3.32Å; E29-R31 VanDerWaalsContact C-N 3.32Å; E29-R31 PolarHBondContact O-N 3.39Å; E29-L32 CarbonylContact O-C 3.57Å; E29-L32 WeakPolarHBondContact O-CA 3.42Å; E29-L32 WeakPolarHBondContact O-CB 3.37Å; E29-L32 PolarHBondContact O-N 2.78Å; E29-R33 PolarHBondContact O-N 3.41Å; E29-R33 IonicContact OE1-CZ 3.18Å; E29-R33 VanDerWaalsContact OE1-CZ 3.28Å; E29-R33 IonicContact OE1-NE 3.87Å; E29-R33 PolarHBondContact OE1-NE 3.18Å; E29-R33 IonicContact OE1-NH2 2.65Å; E29-R33 PolarHBondContact OE1-NH2 3.42Å; E29-F82 HydrophobicContact CG-CE1 4.21Å; E29-F82 HydrophobicContact CG-CZ 4.2Å; E29-L86 HydrophobicContact CG-CD1 4.47Å |
| 30 | E | 73 | Confident | 63.9 | Low | 96 Ų | 96 | 79.5 Ų | 79.5 | 45% | 0.449 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.8 | -35 | 177.7 | -175.2 | 55.5 | -149.8 | 0 | 0 | 111.6 | T26 E28 L32 R33 Q34 | T26-E30 VanDerWaalsContact O-CB 3.31Å; T26-E30 WeakPolarHBondContact O-CB 3.48Å; T26-E30 PolarHBondContact O-N 3.04Å; E28-E30 PolarHBondContact O-N 3.35Å; E30-L32 VanDerWaalsContact C-N 3.3Å; E30-L32 PolarHBondContact O-N 2.93Å; E30-R33 PolarHBondContact O-N 3.14Å; E30-Q34 WeakPolarHBondContact O-CB 3.47Å; E30-Q34 WeakPolarHBondContact O-CG 3.35Å; E30-Q34 PolarHBondContact O-N 3.35Å; E30-Q34 PolarHBondContact OE1-NE2 3.4Å |
| 31 | R | 75.1 | Confident | 65.9 | Low | 144 Ų | 144 | 79.7 Ų | 79.7 | 54% | 0.543 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.5 | -33.4 | 170.7 | -77.1 | 178.5 | 89.5 | 159.2 | 12.9 | 112.4 | G27 E28 E29 L35 | G27-R31 WeakPolarHBondContact O-CD 3.45Å; G27-R31 WeakPolarHBondContact O-CG 3.46Å; E28-R31 PolarHBondContact O-N 3.02Å; E29-R31 VanDerWaalsContact C-N 3.32Å; E29-R31 PolarHBondContact O-N 3.39Å; R31-L35 VanDerWaalsContact O-CB 3.29Å; R31-L35 WeakPolarHBondContact O-CB 3.48Å; R31-L35 PolarHBondContact O-N 3.44Å |
| 32 | L | 81.7 | Confident | 68.4 | Low | 24 Ų | 24 | 78.3 Ų | 78.3 | 13% | 0.126 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -72.5 | -35.9 | 174.4 | -71.5 | 160.6 | 0 | 0 | 0 | 111.6 | E28 E29 E30 L35 F36 F82 F85 L86 | E28-L32 HydrophobicContact CG-CD1 4.4Å; E28-L32 WeakPolarHBondContact O-CG 3.31Å; E28-L32 PolarHBondContact O-N 3.02Å; E29-L32 CarbonylContact O-C 3.57Å; E29-L32 WeakPolarHBondContact O-CA 3.42Å; E29-L32 WeakPolarHBondContact O-CB 3.37Å; E29-L32 PolarHBondContact O-N 2.78Å; E30-L32 VanDerWaalsContact C-N 3.3Å; E30-L32 PolarHBondContact O-N 2.93Å; L32-L35 PolarHBondContact O-N 2.94Å; L32-F36 VanDerWaalsContact O-CB 3.24Å; L32-F36 WeakPolarHBondContact O-CB 3.27Å; L32-F36 PolarHBondContact O-N 3.03Å; L32-F82 HydrophobicContact CB-CE2 4.21Å; L32-F82 HydrophobicContact CB-CZ 4.24Å; L32-F85 HydrophobicContact CD2-CE1 4.22Å; L32-L86 HydrophobicContact CD1-CD2 4.19Å |
| 33 | R | 81.6 | Confident | 70.3 | Confident | 92 Ų | 92 | 77.2 Ų | 77.2 | 35% | 0.347 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.3 | -48.6 | 170.1 | -70.8 | -177.5 | -179.7 | -81.6 | -7.1 | 111.2 | E29 E30 L35 F36 L37 F82 | E29-R33 PolarHBondContact O-N 3.41Å; E29-R33 IonicContact OE1-CZ 3.18Å; E29-R33 VanDerWaalsContact OE1-CZ 3.28Å; E29-R33 IonicContact OE1-NE 3.87Å; E29-R33 PolarHBondContact OE1-NE 3.18Å; E29-R33 IonicContact OE1-NH2 2.65Å; E29-R33 PolarHBondContact OE1-NH2 3.42Å; E30-R33 PolarHBondContact O-N 3.14Å; R33-L35 VanDerWaalsContact C-N 3.33Å; R33-L35 PolarHBondContact O-N 3.43Å; R33-F36 PolarHBondContact O-N 3.33Å; R33-L37 WeakPolarHBondContact O-CB 3.47Å; R33-L37 WeakPolarHBondContact O-CG 3.45Å; R33-L37 PolarHBondContact O-N 3.01Å; R33-F82 HydrophobicContact CB-CE2 4.33Å; R33-F82 HydrophobicContact CB-CZ 4.3Å; R33-F82 HydrophobicContact CG-CD1 4.28Å; R33-F82 HydrophobicContact CG-CD2 4.33Å; R33-F82 HydrophobicContact CG-CE1 3.61Å; R33-F82 HydrophobicContact CG-CE2 3.71Å; R33-F82 HydrophobicContact CG-CZ 3.3Å |
| 34 | Q | 80.1 | Confident | 72.7 | Confident | 116 Ų | 116 | 76.8 Ų | 76.8 | 54% | 0.542 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.1 | -41.7 | 174.1 | -66.9 | -75.1 | -35.4 | 0 | 0 | 112 | E30 S38 | E30-Q34 WeakPolarHBondContact O-CB 3.47Å; E30-Q34 WeakPolarHBondContact O-CG 3.35Å; E30-Q34 PolarHBondContact O-N 3.35Å; E30-Q34 PolarHBondContact OE1-NE2 3.4Å; Q34-S38 WeakPolarHBondContact O-CB 3.27Å; Q34-S38 PolarHBondContact O-N 3.39Å; Q34-S38 PolarHBondContact O-OG 2.76Å |
| 35 | L | 82 | Confident | 74.5 | Confident | 93 Ų | 93 | 73.5 Ų | 73.5 | 49% | 0.487 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -66.8 | -44.2 | 178.6 | -163 | 76.9 | 0 | 0 | 0 | 111.6 | R31 L32 R33 S38 C39 | R31-L35 VanDerWaalsContact O-CB 3.29Å; R31-L35 WeakPolarHBondContact O-CB 3.48Å; R31-L35 PolarHBondContact O-N 3.44Å; L32-L35 PolarHBondContact O-N 2.94Å; R33-L35 VanDerWaalsContact C-N 3.33Å; R33-L35 PolarHBondContact O-N 3.43Å; L35-S38 PolarHBondContact O-N 3.39Å; L35-S38 VanDerWaalsContact O-N 3.13Å; L35-S38 PolarHBondContact O-OG 3.22Å; L35-C39 PolarHBondContact O-N 3.43Å; L35-C39 VanDerWaalsContact O-N 3.14Å; L35-C39 PolarHBondContact O-SG 3.25Å |
| 36 | F | 84.2 | Confident | 76 | Confident | 7 Ų | 7 | 72.2 Ų | 72.2 | 3% | 0.031 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -60.8 | -49.7 | 176.6 | -175 | -79.5 | 0 | 0 | 0 | 110.9 | L32 R33 S38 C39 D40 G45 L47 I80 F82 F85 | L32-F36 VanDerWaalsContact O-CB 3.24Å; L32-F36 WeakPolarHBondContact O-CB 3.27Å; L32-F36 PolarHBondContact O-N 3.03Å; R33-F36 PolarHBondContact O-N 3.33Å; F36-S38 PolarHBondContact O-N 2.9Å; F36-C39 PolarHBondContact O-N 2.89Å; F36-D40 PolarHBondContact O-N 2.95Å; F36-G45 VanDerWaalsContact CE1-O 3.27Å; F36-G45 WeakPolarHBondContact CE1-O 3.42Å; F36-L47 HydrophobicContact CD1-CG 4.48Å; F36-L47 HydrophobicContact CD2-CD1 3.58Å; F36-L47 HydrophobicContact CD2-CG 3.99Å; F36-L47 HydrophobicContact CE1-CG 4.17Å; F36-L47 HydrophobicContact CE2-CB 4.35Å; F36-L47 HydrophobicContact CE2-CD1 3.61Å; F36-L47 HydrophobicContact CE2-CG 3.67Å; F36-L47 HydrophobicContact CG-CD1 4.21Å; F36-L47 HydrophobicContact CG-CG 4.4Å; F36-L47 HydrophobicContact CZ-CB 4.37Å; F36-L47 HydrophobicContact CZ-CD1 4.25Å; F36-L47 HydrophobicContact CZ-CG 3.78Å; F36-I80 WeakPolarHBondContact CZ-O 3.3Å; F36-F82 HydrophobicContact CB-CD2 3.94Å; F36-F82 HydrophobicContact CB-CE2 4.23Å; F36-F82 HydrophobicContact CD1-CD2 4.36Å; F36-F82 AromaticContact CD2-CD2 3.85Å; F36-F82 HydrophobicContact CD2-CD2 3.85Å; F36-F82 HydrophobicContact CE1-CB 4.49Å; F36-F82 HydrophobicContact CE2-CB 4.32Å; F36-F82 HydrophobicContact CE2-CD2 4.41Å; F36-F82 AromaticContact CG-CD2 3.82Å; F36-F82 HydrophobicContact CG-CD2 3.82Å; F36-F82 HydrophobicContact CZ-CB 4.28Å; F36-F85 HydrophobicContact CD2-CB 4Å; F36-F85 AromaticContact CD2-CD1 3.94Å; F36-F85 HydrophobicContact CD2-CD1 3.94Å; F36-F85 HydrophobicContact CD2-CD2 4.46Å; F36-F85 AromaticContact CD2-CG 3.88Å; F36-F85 HydrophobicContact CD2-CG 3.88Å; F36-F85 HydrophobicContact CE2-CB 3.82Å; F36-F85 HydrophobicContact CE2-CG 4.19Å |
| 37 | L | 80.4 | Confident | 77.6 | Confident | 81 Ų | 81 | 67.8 Ų | 67.8 | 42% | 0.424 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.1 | -22.2 | 173.1 | -79.5 | 162.1 | 0 | 0 | 0 | 114 | R33 | R33-L37 WeakPolarHBondContact O-CB 3.47Å; R33-L37 WeakPolarHBondContact O-CG 3.45Å; R33-L37 PolarHBondContact O-N 3.01Å |
| 38 | S | 78 | Confident | 78.3 | Confident | 77 Ų | 77 | 68 Ų | 68 | 54% | 0.538 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -86.8 | -12.3 | 173.7 | 77.6 | 0 | 0 | 0 | 0 | 114.1 | Q34 L35 F36 | Q34-S38 WeakPolarHBondContact O-CB 3.27Å; Q34-S38 PolarHBondContact O-N 3.39Å; Q34-S38 PolarHBondContact O-OG 2.76Å; L35-S38 PolarHBondContact O-N 3.39Å; L35-S38 VanDerWaalsContact O-N 3.13Å; L35-S38 PolarHBondContact O-OG 3.22Å; F36-S38 PolarHBondContact O-N 2.9Å |
| 39 | C | 77.6 | Confident | 78.9 | Confident | 22 Ų | 22 | 65.9 Ų | 65.9 | 15% | 0.149 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -96.3 | -33.2 | 175.2 | -63.8 | 0 | 0 | 0 | 0 | 111.9 | L35 F36 S41 L47 M55 | L35-C39 PolarHBondContact O-N 3.43Å; L35-C39 VanDerWaalsContact O-N 3.14Å; L35-C39 PolarHBondContact O-SG 3.25Å; F36-C39 PolarHBondContact O-N 2.89Å; C39-S41 PolarHBondContact O-N 2.9Å; C39-L47 HydrophobicContact CB-CD1 4.35Å; C39-L47 HydrophobicContact CB-CD2 3.71Å; C39-M55 HydrophobicContact CB-CG 4.42Å |
| 40 | D | 84.3 | Confident | 79.3 | Confident | 9 Ų | 9 | 67.3 Ų | 67.3 | 5% | 0.048 | 36% | 0.357 | C | S | . | . | trans | -65 | 110 | 171.4 | 177.7 | -1.6 | 0 | 0 | 0 | 109.7 | F36 N42 N43 D44 G45 L47 | F36-D40 PolarHBondContact O-N 2.95Å; D40-N42 PolarHBondContact OD1-N 3.07Å; D40-N42 VanDerWaalsContact OD1-N 3.11Å; D40-N43 VanDerWaalsContact OD1-CA 3.32Å; D40-N43 WeakPolarHBondContact OD1-CA 3.47Å; D40-N43 PolarHBondContact OD1-N 2.87Å; D40-N43 VanDerWaalsContact OD2-CA 3.31Å; D40-N43 WeakPolarHBondContact OD2-CA 3.34Å; D40-D44 PolarHBondContact OD2-N 3.11Å; D40-G45 PolarHBondContact OD2-N 3.02Å; D40-L47 HydrophobicContact CB-CD2 3.95Å; D40-L47 VanDerWaalsContact N-CD2 3.31Å | ||
| 41 | S | 72.9 | Confident | 79.9 | Confident | 76 Ų | 76 | 63 Ų | 63 | 53% | 0.531 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -90.5 | -14.8 | -177.6 | -44.8 | 0 | 0 | 0 | 0 | 112.6 | C39 D51 | C39-S41 PolarHBondContact O-N 2.9Å; S41-D51 WeakPolarHBondContact CA-OD1 3.42Å; S41-D51 WeakPolarHBondContact CB-OD1 3.41Å; S41-D51 PolarHBondContact N-OD1 2.71Å; S41-D51 PolarHBondContact N-OD2 3.22Å; S41-D51 PolarHBondContact OG-OD1 2.76Å |
| 42 | N | 79 | Confident | 80.2 | Confident | 79 Ų | 79 | 56.4 Ų | 56.4 | 42% | 0.422 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -102 | -20.5 | -175.3 | 83.1 | 50.3 | 0 | 0 | 0 | 112.2 | D40 D44 | D40-N42 PolarHBondContact OD1-N 3.07Å; D40-N42 VanDerWaalsContact OD1-N 3.11Å; N42-D44 PolarHBondContact ND2-OD2 3.12Å; N42-D44 WeakPolarHBondContact OD1-CA 3.46Å; N42-D44 WeakPolarHBondContact OD1-CB 3.47Å; N42-D44 PolarHBondContact OD1-N 3Å; N42-D44 PolarHBondContact OD1-OD2 3.29Å |
| 43 | N | 74.4 | Confident | 80.3 | Confident | 117 Ų | 117 | 60.1 Ų | 60.1 | 63% | 0.626 | 33% | 0.326 | S | S | * | . | trans | 70.4 | 26.9 | 177.8 | -143.7 | 119.7 | 0 | 0 | 0 | 115.3 | D40 | D40-N43 VanDerWaalsContact OD1-CA 3.32Å; D40-N43 WeakPolarHBondContact OD1-CA 3.47Å; D40-N43 PolarHBondContact OD1-N 2.87Å; D40-N43 VanDerWaalsContact OD2-CA 3.31Å; D40-N43 WeakPolarHBondContact OD2-CA 3.34Å | ||
| 44 | D | 80.5 | Confident | 80.2 | Confident | 101 Ų | 101 | 57.7 Ų | 57.7 | 54% | 0.54 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -82.9 | -12.4 | 177.2 | 78.7 | 23.2 | 0 | 0 | 0 | 114.8 | D40 N42 C46 | D40-D44 PolarHBondContact OD2-N 3.11Å; N42-D44 PolarHBondContact ND2-OD2 3.12Å; N42-D44 WeakPolarHBondContact OD1-CA 3.46Å; N42-D44 WeakPolarHBondContact OD1-CB 3.47Å; N42-D44 PolarHBondContact OD1-N 3Å; N42-D44 PolarHBondContact OD1-OD2 3.29Å; D44-C46 WeakPolarHBondContact OD1-CA 3.34Å; D44-C46 WeakPolarHBondContact OD1-CB 3.31Å; D44-C46 PolarHBondContact OD1-N 3.17Å |
| 45 | G | 75.5 | Confident | 80.2 | Confident | 32 Ų | 32 | 54.1 Ų | 54.1 | 33% | 0.33 | 30% | 0.304 | S | S | . | . | S | Bend | trans | 90.4 | 9.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | F36 D40 | F36-G45 VanDerWaalsContact CE1-O 3.27Å; F36-G45 WeakPolarHBondContact CE1-O 3.42Å; D40-G45 PolarHBondContact OD2-N 3.02Å |
| 46 | C | 81.2 | Confident | 80.1 | Confident | 30 Ų | 30 | 50 Ų | 50 | 20% | 0.203 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 122.7 | 176.9 | -51.2 | 0 | 0 | 0 | 0 | 110.7 | D44 D48 C79 I80 | D44-C46 WeakPolarHBondContact OD1-CA 3.34Å; D44-C46 WeakPolarHBondContact OD1-CB 3.31Å; D44-C46 PolarHBondContact OD1-N 3.17Å; C46-D48 PolarHBondContact O-N 3.33Å; C46-D48 VanDerWaalsContact O-N 3.17Å; C46-C79 HydrophobicContact CB-CB 3.75Å; C46-I80 CarbonylContact C-O 3.6Å; C46-I80 WeakPolarHBondContact CA-O 3.45Å |
| 47 | L | 82.7 | Confident | 79.9 | Confident | 7 Ų | 7 | 55.5 Ų | 55.5 | 4% | 0.037 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 111.3 | 177.1 | -69.4 | 174.4 | 0 | 0 | 0 | 110.4 | F36 C39 D40 D51 C79 I80 | F36-L47 HydrophobicContact CD1-CG 4.48Å; F36-L47 HydrophobicContact CD2-CD1 3.58Å; F36-L47 HydrophobicContact CD2-CG 3.99Å; F36-L47 HydrophobicContact CE1-CG 4.17Å; F36-L47 HydrophobicContact CE2-CB 4.35Å; F36-L47 HydrophobicContact CE2-CD1 3.61Å; F36-L47 HydrophobicContact CE2-CG 3.67Å; F36-L47 HydrophobicContact CG-CD1 4.21Å; F36-L47 HydrophobicContact CG-CG 4.4Å; F36-L47 HydrophobicContact CZ-CB 4.37Å; F36-L47 HydrophobicContact CZ-CD1 4.25Å; F36-L47 HydrophobicContact CZ-CG 3.78Å; C39-L47 HydrophobicContact CB-CD1 4.35Å; C39-L47 HydrophobicContact CB-CD2 3.71Å; D40-L47 HydrophobicContact CB-CD2 3.95Å; D40-L47 VanDerWaalsContact N-CD2 3.31Å; L47-D51 HydrophobicContact CD2-CB 4.15Å; L47-C79 CarbonylContact O-C 3.59Å; L47-C79 WeakPolarHBondContact O-CA 3.48Å; L47-I80 PolarHBondContact N-O 3.33Å; L47-I80 PolarHBondContact O-N 2.71Å |
| 48 | D | 80.7 | Confident | 79.6 | Confident | 48 Ų | 48 | 58.3 Ų | 58.3 | 26% | 0.257 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 178.8 | 173.4 | 88 | 5 | 0 | 0 | 0 | 112.6 | C46 E50 D51 L52 G78 C79 | C46-D48 PolarHBondContact O-N 3.33Å; C46-D48 VanDerWaalsContact O-N 3.17Å; D48-E50 VanDerWaalsContact C-N 3.34Å; D48-E50 WeakPolarHBondContact OD1-CA 3.35Å; D48-E50 WeakPolarHBondContact OD1-CB 3.48Å; D48-E50 PolarHBondContact OD1-N 3.29Å; D48-D51 PolarHBondContact OD1-N 2.88Å; D48-L52 PolarHBondContact O-N 2.97Å; D48-L52 VanDerWaalsContact O-N 3.1Å; D48-G78 WeakPolarHBondContact CA-O 3.42Å; D48-C79 HydrophobicContact CB-CB 4.31Å |
| 49 | C | 80 | Confident | 79.5 | Confident | 55 Ų | 55 | 60 Ų | 60 | 37% | 0.372 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -71.4 | -23.4 | 179.5 | 53.9 | 0 | 0 | 0 | 0 | 114.2 | Y53 I69 A74 | C49-Y53 VanDerWaalsContact O-CB 3.26Å; C49-Y53 WeakPolarHBondContact O-CB 3.41Å; C49-Y53 PolarHBondContact O-N 3.49Å; C49-I69 HydrophobicContact CB-CG2 4.08Å; C49-I69 WeakPolarHBondContact O-CD1 3.3Å; C49-A74 HydrophobicContact CB-CB 4.21Å |
| 50 | E | 79.5 | Confident | 79.2 | Confident | 107 Ų | 107 | 66.3 Ų | 66.3 | 50% | 0.5 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -82 | -35.2 | 176.1 | -176.3 | 61.4 | -151.3 | 0 | 0 | 111 | D48 Y53 N54 | D48-E50 VanDerWaalsContact C-N 3.34Å; D48-E50 WeakPolarHBondContact OD1-CA 3.35Å; D48-E50 WeakPolarHBondContact OD1-CB 3.48Å; D48-E50 PolarHBondContact OD1-N 3.29Å; E50-Y53 PolarHBondContact O-N 2.78Å; E50-N54 WeakPolarHBondContact O-CB 3.44Å; E50-N54 PolarHBondContact O-N 3.24Å; E50-N54 PolarHBondContact O-ND2 3.11Å; E50-N54 PolarHBondContact OE1-ND2 2.72Å |
| 51 | D | 86.6 | Confident | 78.5 | Confident | 7 Ų | 7 | 70.6 Ų | 70.6 | 4% | 0.037 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.6 | -48.1 | 169.3 | -86.1 | -39.1 | 0 | 0 | 0 | 111.6 | S41 L47 D48 Y53 N54 M55 | S41-D51 WeakPolarHBondContact CA-OD1 3.42Å; S41-D51 WeakPolarHBondContact CB-OD1 3.41Å; S41-D51 PolarHBondContact N-OD1 2.71Å; S41-D51 PolarHBondContact N-OD2 3.22Å; S41-D51 PolarHBondContact OG-OD1 2.76Å; L47-D51 HydrophobicContact CD2-CB 4.15Å; D48-D51 PolarHBondContact OD1-N 2.88Å; D51-Y53 VanDerWaalsContact C-N 3.31Å; D51-Y53 PolarHBondContact O-N 2.88Å; D51-N54 PolarHBondContact O-N 2.94Å; D51-M55 VanDerWaalsContact O-CB 3.28Å; D51-M55 WeakPolarHBondContact O-CB 3.03Å; D51-M55 PolarHBondContact O-N 2.87Å |
| 52 | L | 81.6 | Confident | 78.6 | Confident | 4 Ų | 4 | 69.1 Ų | 69.1 | 2% | 0.021 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.6 | -40.3 | 173.6 | -97.3 | 165.8 | 0 | 0 | 0 | 112.2 | D48 M55 C56 I68 I69 L72 A74 I80 | D48-L52 PolarHBondContact O-N 2.97Å; D48-L52 VanDerWaalsContact O-N 3.1Å; L52-M55 HydrophobicContact CD2-CE 3.84Å; L52-M55 PolarHBondContact O-N 2.94Å; L52-C56 WeakPolarHBondContact O-CB 3.19Å; L52-C56 PolarHBondContact O-N 3.08Å; L52-C56 PolarHBondContact O-SG 3.48Å; L52-I68 HydrophobicContact CD2-CG2 4.27Å; L52-I69 HydrophobicContact CB-CD1 4.29Å; L52-I69 HydrophobicContact CB-CG1 3.76Å; L52-I69 HydrophobicContact CD1-CG1 4.4Å; L52-L72 HydrophobicContact CD1-CB 4.42Å; L52-L72 HydrophobicContact CD1-CD1 3.85Å; L52-L72 HydrophobicContact CD2-CD1 3.57Å; L52-L72 HydrophobicContact CG-CD1 4.39Å; L52-A74 HydrophobicContact CD1-CB 3.85Å; L52-I80 HydrophobicContact CD1-CD1 3.79Å |
| 53 | Y | 83.1 | Confident | 78.3 | Confident | 103 Ų | 103 | 73 Ų | 73 | 40% | 0.404 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.1 | -44.3 | 176.9 | -168.5 | -106.8 | 0 | 0 | 0 | 111.8 | C49 E50 D51 M55 C56 K57 A65 I69 | C49-Y53 VanDerWaalsContact O-CB 3.26Å; C49-Y53 WeakPolarHBondContact O-CB 3.41Å; C49-Y53 PolarHBondContact O-N 3.49Å; E50-Y53 PolarHBondContact O-N 2.78Å; D51-Y53 VanDerWaalsContact C-N 3.31Å; D51-Y53 PolarHBondContact O-N 2.88Å; Y53-M55 VanDerWaalsContact C-N 3.34Å; Y53-M55 PolarHBondContact O-N 2.88Å; Y53-C56 PolarHBondContact O-N 3.06Å; Y53-K57 WeakPolarHBondContact O-CB 2.92Å; Y53-K57 PolarHBondContact O-N 2.95Å; Y53-A65 HydrophobicContact CD2-CB 3.62Å; Y53-A65 HydrophobicContact CE2-CB 3.87Å; Y53-I69 HydrophobicContact CD2-CD1 4.24Å |
| 54 | N | 80.1 | Confident | 78.2 | Confident | 40 Ų | 40 | 69.9 Ų | 69.9 | 21% | 0.214 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -68.3 | -30.9 | 176 | -77.8 | -64.5 | 0 | 0 | 0 | 112.7 | E50 D51 K58 | E50-N54 WeakPolarHBondContact O-CB 3.44Å; E50-N54 PolarHBondContact O-N 3.24Å; E50-N54 PolarHBondContact O-ND2 3.11Å; E50-N54 PolarHBondContact OE1-ND2 2.72Å; D51-N54 PolarHBondContact O-N 2.94Å; N54-K58 WeakPolarHBondContact O-CB 3.46Å; N54-K58 WeakPolarHBondContact O-CD 3.38Å; N54-K58 WeakPolarHBondContact O-CG 3.25Å; N54-K58 PolarHBondContact O-N 3.42Å |
| 55 | M | 79.5 | Confident | 77.9 | Confident | 42 Ų | 42 | 65 Ų | 65 | 21% | 0.207 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -69.5 | -47.3 | 172 | -174.3 | -92.8 | -83 | 0 | 0 | 111.6 | C39 D51 L52 Y53 K57 K58 L59 | C39-M55 HydrophobicContact CB-CG 4.42Å; D51-M55 VanDerWaalsContact O-CB 3.28Å; D51-M55 WeakPolarHBondContact O-CB 3.03Å; D51-M55 PolarHBondContact O-N 2.87Å; L52-M55 HydrophobicContact CD2-CE 3.84Å; L52-M55 PolarHBondContact O-N 2.94Å; Y53-M55 VanDerWaalsContact C-N 3.34Å; Y53-M55 PolarHBondContact O-N 2.88Å; M55-K57 PolarHBondContact O-N 3.46Å; M55-K58 PolarHBondContact O-N 2.86Å; M55-K58 VanDerWaalsContact O-N 3.17Å; M55-L59 WeakPolarHBondContact O-CG 3.45Å; M55-L59 PolarHBondContact O-N 2.92Å; M55-L59 HydrophobicContact SD-CD1 3.55Å; M55-L59 VanDerWaalsContact SD-CD1 3.55Å; M55-L59 HydrophobicContact SD-CG 4.32Å |
| 56 | C | 80.9 | Confident | 77.9 | Confident | 5 Ų | 5 | 70.5 Ų | 70.5 | 3% | 0.034 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.6 | -36.9 | 173.1 | -66.5 | 0 | 0 | 0 | 0 | 111.9 | L52 Y53 L59 N60 M61 A65 | L52-C56 WeakPolarHBondContact O-CB 3.19Å; L52-C56 PolarHBondContact O-N 3.08Å; L52-C56 PolarHBondContact O-SG 3.48Å; Y53-C56 PolarHBondContact O-N 3.06Å; C56-L59 CarbonylContact O-C 3.53Å; C56-L59 PolarHBondContact O-N 2.88Å; C56-N60 PolarHBondContact O-N 2.85Å; C56-M61 PolarHBondContact O-N 3.27Å; C56-A65 HydrophobicContact CB-CB 3.59Å |
| 57 | K | 79.7 | Confident | 77.5 | Confident | 124 Ų | 124 | 75.6 Ų | 75.6 | 54% | 0.539 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -69.5 | -42.7 | 175.1 | -175.3 | -179.9 | 174.9 | -171.3 | 0 | 112.7 | Y53 M55 L59 N60 | Y53-K57 WeakPolarHBondContact O-CB 2.92Å; Y53-K57 PolarHBondContact O-N 2.95Å; M55-K57 PolarHBondContact O-N 3.46Å; K57-L59 VanDerWaalsContact C-N 3.27Å; K57-L59 PolarHBondContact O-N 2.84Å; K57-N60 PolarHBondContact O-N 2.91Å; K57-N60 VanDerWaalsContact O-N 3.09Å |
| 58 | K | 74.2 | Confident | 77 | Confident | 139 Ų | 139 | 77.5 Ų | 77.5 | 60% | 0.604 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -59.7 | -36 | 171.9 | -75.4 | 162.8 | -174.5 | 166.8 | 0 | 111.6 | N54 M55 N60 | N54-K58 WeakPolarHBondContact O-CB 3.46Å; N54-K58 WeakPolarHBondContact O-CD 3.38Å; N54-K58 WeakPolarHBondContact O-CG 3.25Å; N54-K58 PolarHBondContact O-N 3.42Å; M55-K58 PolarHBondContact O-N 2.86Å; M55-K58 VanDerWaalsContact O-N 3.17Å; K58-N60 VanDerWaalsContact C-N 3.31Å |
| 59 | L | 75.7 | Confident | 76.8 | Confident | 114 Ų | 114 | 76 Ų | 76 | 60% | 0.597 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | 3.2 | 175.9 | -64.5 | -179.2 | 0 | 0 | 0 | 114.4 | M55 C56 K57 M61 | M55-L59 WeakPolarHBondContact O-CG 3.45Å; M55-L59 PolarHBondContact O-N 2.92Å; M55-L59 HydrophobicContact SD-CD1 3.55Å; M55-L59 VanDerWaalsContact SD-CD1 3.55Å; M55-L59 HydrophobicContact SD-CG 4.32Å; C56-L59 CarbonylContact O-C 3.53Å; C56-L59 PolarHBondContact O-N 2.88Å; K57-L59 VanDerWaalsContact C-N 3.27Å; K57-L59 PolarHBondContact O-N 2.84Å; L59-M61 HydrophobicContact CB-CG 4.48Å; L59-M61 PolarHBondContact O-N 3.44Å |
| 60 | N | 70 | Confident | 76.4 | Confident | 154 Ų | 154 | 77 Ų | 77 | 82% | 0.824 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 25.8 | -177.4 | -156.3 | 36.1 | 0 | 0 | 0 | 114.5 | C56 K57 K58 | C56-N60 PolarHBondContact O-N 2.85Å; K57-N60 PolarHBondContact O-N 2.91Å; K57-N60 VanDerWaalsContact O-N 3.09Å; K58-N60 VanDerWaalsContact C-N 3.31Å |
| 61 | M | 71.3 | Confident | 75.9 | Confident | 98 Ų | 98 | 76.7 Ų | 76.7 | 48% | 0.483 | 39% | 0.386 | S | S | . | . | trans | -104.8 | 28 | 177.7 | -67 | -169.3 | 67.3 | 0 | 0 | 112.8 | C56 L59 E63 C64 A65 | C56-M61 PolarHBondContact O-N 3.27Å; L59-M61 HydrophobicContact CB-CG 4.48Å; L59-M61 PolarHBondContact O-N 3.44Å; M61-E63 PolarHBondContact O-N 2.97Å; M61-E63 VanDerWaalsContact O-N 3.1Å; M61-C64 PolarHBondContact O-N 3.4Å; M61-A65 PolarHBondContact O-N 3.47Å | ||
| 62 | A | 74.5 | Confident | 75 | Confident | 45 Ų | 45 | 78.5 Ų | 78.5 | 37% | 0.372 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -57.7 | -28.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | C64 A65 | A62-C64 VanDerWaalsContact C-N 3.27Å; A62-C64 PolarHBondContact O-N 3Å; A62-A65 WeakPolarHBondContact O-CB 3.14Å; A62-A65 PolarHBondContact O-N 3.45Å |
| 63 | E | 72.5 | Confident | 74.2 | Confident | 161 Ų | 161 | 79 Ų | 79 | 75% | 0.752 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -67.8 | -22.9 | 176.5 | -66 | -177.2 | -175.5 | 0 | 0 | 113.7 | M61 K1605 | M61-E63 PolarHBondContact O-N 2.97Å; M61-E63 VanDerWaalsContact O-N 3.1Å; E63-K1605 IonicContact OE1-NZ 3.73Å; E63-K1605 PolarHBondContact OE1-NZ 2.95Å; E63-K1605 IonicContact OE2-NZ 2.93Å; E63-K1605 PolarHBondContact OE2-NZ 2.86Å |
| 64 | C | 72.4 | Confident | 73.1 | Confident | 51 Ų | 51 | 74.2 Ų | 74.2 | 35% | 0.345 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -100.6 | -3.3 | 177.8 | -61.2 | 0 | 0 | 0 | 0 | 112.9 | M61 A62 E66 E67 I68 | M61-C64 PolarHBondContact O-N 3.4Å; A62-C64 VanDerWaalsContact C-N 3.27Å; A62-C64 PolarHBondContact O-N 3Å; C64-E66 VanDerWaalsContact C-N 3.34Å; C64-E66 PolarHBondContact O-N 3.1Å; C64-E67 PolarHBondContact O-N 3.39Å; C64-E67 VanDerWaalsContact O-N 3.14Å; C64-I68 HydrophobicContact CB-CD1 3.94Å; C64-I68 HydrophobicContact CB-CG1 4.48Å; C64-I68 WeakPolarHBondContact O-CG1 3.43Å; C64-I68 PolarHBondContact O-N 3.19Å |
| 65 | A | 74.6 | Confident | 72 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.5 | -40.6 | -169.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y53 C56 M61 A62 I68 I69 | Y53-A65 HydrophobicContact CD2-CB 3.62Å; Y53-A65 HydrophobicContact CE2-CB 3.87Å; C56-A65 HydrophobicContact CB-CB 3.59Å; M61-A65 PolarHBondContact O-N 3.47Å; A62-A65 WeakPolarHBondContact O-CB 3.14Å; A62-A65 PolarHBondContact O-N 3.45Å; A65-I68 PolarHBondContact O-N 3.27Å; A65-I69 VanDerWaalsContact O-CB 3.29Å; A65-I69 WeakPolarHBondContact O-CB 3.47Å; A65-I69 WeakPolarHBondContact O-CD1 3.41Å; A65-I69 WeakPolarHBondContact O-CG1 3.41Å; A65-I69 PolarHBondContact O-N 2.96Å |
| 66 | E | 74.3 | Confident | 70.9 | Confident | 147 Ų | 147 | 79.6 Ų | 79.6 | 69% | 0.687 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -64.7 | -39.1 | 177.8 | -170.7 | 170.9 | -151.4 | 0 | 0 | 111.9 | C64 N70 | C64-E66 VanDerWaalsContact C-N 3.34Å; C64-E66 PolarHBondContact O-N 3.1Å; E66-N70 VanDerWaalsContact O-CB 3.25Å; E66-N70 WeakPolarHBondContact O-CB 3.49Å; E66-N70 PolarHBondContact O-N 3.34Å; E66-N70 PolarHBondContact O-ND2 2.93Å |
| 67 | E | 73.4 | Confident | 69.9 | Low | 137 Ų | 137 | 85.8 Ų | 85.8 | 64% | 0.64 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -69.5 | -38.2 | 176.6 | -171.3 | 168.4 | -144.7 | 0 | 0 | 112.2 | C64 N70 T71 | C64-E67 PolarHBondContact O-N 3.39Å; C64-E67 VanDerWaalsContact O-N 3.14Å; E67-N70 PolarHBondContact O-N 2.77Å; E67-T71 WeakPolarHBondContact O-CB 3.33Å; E67-T71 PolarHBondContact O-N 2.72Å; E67-T71 PolarHBondContact O-OG1 3.4Å |
| 68 | I | 71.7 | Confident | 69.4 | Low | 46 Ų | 46 | 81.8 Ų | 81.8 | 24% | 0.236 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -67.7 | -45.4 | 175.7 | -67.1 | 165.4 | 0 | 0 | 0 | 111 | L52 C64 A65 N70 T71 L72 | L52-I68 HydrophobicContact CD2-CG2 4.27Å; C64-I68 HydrophobicContact CB-CD1 3.94Å; C64-I68 HydrophobicContact CB-CG1 4.48Å; C64-I68 WeakPolarHBondContact O-CG1 3.43Å; C64-I68 PolarHBondContact O-N 3.19Å; A65-I68 PolarHBondContact O-N 3.27Å; I68-N70 VanDerWaalsContact C-N 3.28Å; I68-N70 PolarHBondContact O-N 2.81Å; I68-T71 WeakPolarHBondContact CA-OG1 3.41Å; I68-T71 PolarHBondContact O-N 2.98Å; I68-T71 PolarHBondContact O-OG1 3.33Å; I68-L72 HydrophobicContact CG2-CD1 3.73Å; I68-L72 HydrophobicContact CG2-CG 4.39Å; I68-L72 WeakPolarHBondContact O-CB 3.34Å; I68-L72 WeakPolarHBondContact O-CG 3.47Å; I68-L72 PolarHBondContact O-N 3.39Å |
| 69 | I | 76.6 | Confident | 69.3 | Low | 17 Ų | 17 | 77.6 Ų | 77.6 | 9% | 0.087 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -61.6 | -37.1 | 175.6 | -74.6 | 164.4 | 0 | 0 | 0 | 111.3 | C49 L52 Y53 A65 G73 A74 N75 | C49-I69 HydrophobicContact CB-CG2 4.08Å; C49-I69 WeakPolarHBondContact O-CD1 3.3Å; L52-I69 HydrophobicContact CB-CD1 4.29Å; L52-I69 HydrophobicContact CB-CG1 3.76Å; L52-I69 HydrophobicContact CD1-CG1 4.4Å; Y53-I69 HydrophobicContact CD2-CD1 4.24Å; A65-I69 VanDerWaalsContact O-CB 3.29Å; A65-I69 WeakPolarHBondContact O-CB 3.47Å; A65-I69 WeakPolarHBondContact O-CD1 3.41Å; A65-I69 WeakPolarHBondContact O-CG1 3.41Å; A65-I69 PolarHBondContact O-N 2.96Å; I69-G73 PolarHBondContact O-N 2.95Å; I69-A74 HydrophobicContact CG2-CB 4.19Å; I69-A74 PolarHBondContact O-N 2.71Å; I69-N75 HydrophobicContact CG2-CB 4.16Å |
| 70 | N | 73.2 | Confident | 69.4 | Low | 75 Ų | 75 | 72.5 Ų | 72.5 | 40% | 0.401 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -73.7 | -37.9 | 176.9 | -70 | -22.7 | 0 | 0 | 0 | 113.1 | E66 E67 I68 N75 | E66-N70 VanDerWaalsContact O-CB 3.25Å; E66-N70 WeakPolarHBondContact O-CB 3.49Å; E66-N70 PolarHBondContact O-N 3.34Å; E66-N70 PolarHBondContact O-ND2 2.93Å; E67-N70 PolarHBondContact O-N 2.77Å; I68-N70 VanDerWaalsContact C-N 3.28Å; I68-N70 PolarHBondContact O-N 2.81Å; N70-N75 WeakPolarHBondContact OD1-CB 3.34Å; N70-N75 PolarHBondContact OD1-ND2 3.19Å |
| 71 | T | 69.1 | Low | 69.9 | Low | 102 Ų | 102 | 67.8 Ų | 67.8 | 63% | 0.626 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -77 | -34.6 | 179.3 | 41.7 | 0 | 0 | 0 | 0 | 113.2 | E67 I68 G73 | E67-T71 WeakPolarHBondContact O-CB 3.33Å; E67-T71 PolarHBondContact O-N 2.72Å; E67-T71 PolarHBondContact O-OG1 3.4Å; I68-T71 WeakPolarHBondContact CA-OG1 3.41Å; I68-T71 PolarHBondContact O-N 2.98Å; I68-T71 PolarHBondContact O-OG1 3.33Å; T71-G73 VanDerWaalsContact C-N 3.29Å |
| 72 | L | 66.3 | Low | 70.4 | Confident | 45 Ų | 45 | 64 Ų | 64 | 24% | 0.236 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -75.4 | -16.6 | 172.1 | -66.7 | 173.9 | 0 | 0 | 0 | 113.1 | L52 I68 I80 C88 | L52-L72 HydrophobicContact CD1-CB 4.42Å; L52-L72 HydrophobicContact CD1-CD1 3.85Å; L52-L72 HydrophobicContact CD2-CD1 3.57Å; L52-L72 HydrophobicContact CG-CD1 4.39Å; I68-L72 HydrophobicContact CG2-CD1 3.73Å; I68-L72 HydrophobicContact CG2-CG 4.39Å; I68-L72 WeakPolarHBondContact O-CB 3.34Å; I68-L72 WeakPolarHBondContact O-CG 3.47Å; I68-L72 PolarHBondContact O-N 3.39Å; L72-I80 HydrophobicContact CB-CD1 3.61Å; L72-I80 WeakPolarHBondContact O-CD1 3.36Å; L72-C88 HydrophobicContact CD2-CB 4.19Å |
| 73 | G | 64.5 | Low | 70.6 | Confident | 15 Ų | 15 | 66.8 Ų | 66.8 | 16% | 0.155 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | 6.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | I69 T71 N75 T76 K77 | I69-G73 PolarHBondContact O-N 2.95Å; T71-G73 VanDerWaalsContact C-N 3.29Å; G73-N75 PolarHBondContact O-N 2.92Å; G73-T76 PolarHBondContact O-N 3.47Å; G73-T76 VanDerWaalsContact O-N 3.11Å; G73-T76 PolarHBondContact O-OG1 3.18Å; G73-K77 PolarHBondContact O-N 2.9Å; G73-K77 VanDerWaalsContact O-N 3.16Å |
| 74 | A | 60.9 | Low | 70.7 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.008 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58 | -32.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | C49 L52 I69 T76 G78 I80 | C49-A74 HydrophobicContact CB-CB 4.21Å; L52-A74 HydrophobicContact CD1-CB 3.85Å; I69-A74 HydrophobicContact CG2-CB 4.19Å; I69-A74 PolarHBondContact O-N 2.71Å; A74-T76 PolarHBondContact O-N 3.06Å; A74-T76 VanDerWaalsContact O-N 3.12Å; A74-G78 WeakPolarHBondContact O-CA 3.42Å; A74-G78 PolarHBondContact O-N 2.82Å; A74-I80 HydrophobicContact CB-CD1 3.77Å; A74-I80 HydrophobicContact CB-CG1 4.07Å |
| 75 | N | 56.2 | Low | 71.1 | Confident | 82 Ų | 82 | 61.5 Ų | 61.5 | 44% | 0.439 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.5 | -21.2 | 176.7 | 75.1 | -17.8 | 0 | 0 | 0 | 115.4 | I69 N70 G73 | I69-N75 HydrophobicContact CG2-CB 4.16Å; N70-N75 WeakPolarHBondContact OD1-CB 3.34Å; N70-N75 PolarHBondContact OD1-ND2 3.19Å; G73-N75 PolarHBondContact O-N 2.92Å |
| 76 | T | 58.2 | Low | 71.4 | Confident | 114 Ų | 114 | 63.7 Ų | 63.7 | 70% | 0.699 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -122.6 | -17 | -169.5 | 36.8 | 0 | 0 | 0 | 0 | 113.2 | G73 A74 | G73-T76 PolarHBondContact O-N 3.47Å; G73-T76 VanDerWaalsContact O-N 3.11Å; G73-T76 PolarHBondContact O-OG1 3.18Å; A74-T76 PolarHBondContact O-N 3.06Å; A74-T76 VanDerWaalsContact O-N 3.12Å |
| 77 | K | 59.9 | Low | 71.5 | Confident | 135 Ų | 135 | 59.9 Ų | 59.9 | 59% | 0.587 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -105 | -14.7 | 170.2 | -68.4 | -178.5 | 176.8 | 177.5 | 0 | 113.9 | G73 C79 E84 | G73-K77 PolarHBondContact O-N 2.9Å; G73-K77 VanDerWaalsContact O-N 3.16Å; K77-C79 WeakPolarHBondContact CB-O 3.25Å; K77-C79 PolarHBondContact O-N 3.49Å; K77-C79 VanDerWaalsContact O-N 3.12Å; K77-E84 WeakPolarHBondContact CD-OE1 3.24Å; K77-E84 IonicContact NZ-OE1 2.96Å; K77-E84 PolarHBondContact NZ-OE1 3.11Å |
| 78 | G | 69.1 | Low | 71.3 | Confident | 40 Ų | 40 | 54.6 Ų | 54.6 | 41% | 0.412 | 31% | 0.313 | S | S | . | . | S | Bend | trans | 82.4 | -44.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D48 A74 | D48-G78 WeakPolarHBondContact CA-O 3.42Å; A74-G78 WeakPolarHBondContact O-CA 3.42Å; A74-G78 PolarHBondContact O-N 2.82Å |
| 79 | C | 71.5 | Confident | 71.6 | Confident | 50 Ų | 50 | 56.3 Ų | 56.3 | 34% | 0.338 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 162 | 174.6 | 61.5 | 0 | 0 | 0 | 0 | 112.1 | C46 L47 D48 K77 | C46-C79 HydrophobicContact CB-CB 3.75Å; L47-C79 CarbonylContact O-C 3.59Å; L47-C79 WeakPolarHBondContact O-CA 3.48Å; D48-C79 HydrophobicContact CB-CB 4.31Å; K77-C79 WeakPolarHBondContact CB-O 3.25Å; K77-C79 PolarHBondContact O-N 3.49Å; K77-C79 VanDerWaalsContact O-N 3.12Å |
| 80 | I | 77.5 | Confident | 71.4 | Confident | 8 Ų | 8 | 61.6 Ų | 61.6 | 4% | 0.041 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 121.4 | -179.9 | -62.4 | 170.7 | 0 | 0 | 0 | 108.4 | F36 C46 L47 L52 L72 A74 E84 F85 | F36-I80 WeakPolarHBondContact CZ-O 3.3Å; C46-I80 CarbonylContact C-O 3.6Å; C46-I80 WeakPolarHBondContact CA-O 3.45Å; L47-I80 PolarHBondContact N-O 3.33Å; L47-I80 PolarHBondContact O-N 2.71Å; L52-I80 HydrophobicContact CD1-CD1 3.79Å; L72-I80 HydrophobicContact CB-CD1 3.61Å; L72-I80 WeakPolarHBondContact O-CD1 3.36Å; A74-I80 HydrophobicContact CB-CD1 3.77Å; A74-I80 HydrophobicContact CB-CG1 4.07Å; I80-E84 HydrophobicContact CG2-CB 3.96Å; I80-F85 HydrophobicContact CG2-CB 4.12Å |
| 81 | T | 81.4 | Confident | 71.2 | Confident | 54 Ų | 54 | 64.7 Ų | 64.7 | 33% | 0.331 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 160 | 175.2 | 58.3 | 0 | 0 | 0 | 0 | 112 | D83 E84 F85 | T81-D83 VanDerWaalsContact C-N 3.27Å; T81-D83 PolarHBondContact O-N 3.47Å; T81-E84 PolarHBondContact N-OE2 3.36Å; T81-E84 VanDerWaalsContact N-OE2 3.11Å; T81-E84 PolarHBondContact O-N 3.32Å; T81-E84 VanDerWaalsContact O-N 3.09Å; T81-E84 VanDerWaalsContact OG1-CG 3.27Å; T81-E84 WeakPolarHBondContact OG1-CG 3.31Å; T81-E84 PolarHBondContact OG1-OE2 3.06Å; T81-F85 PolarHBondContact O-N 3.35Å |
| 82 | F | 80.9 | Confident | 71.2 | Confident | 18 Ų | 18 | 63.9 Ų | 63.9 | 8% | 0.079 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -56.4 | -38.7 | 178.8 | -177.7 | -104.7 | 0 | 0 | 0 | 113.3 | E29 L32 R33 F36 E84 F85 L86 | E29-F82 HydrophobicContact CG-CE1 4.21Å; E29-F82 HydrophobicContact CG-CZ 4.2Å; L32-F82 HydrophobicContact CB-CE2 4.21Å; L32-F82 HydrophobicContact CB-CZ 4.24Å; R33-F82 HydrophobicContact CB-CE2 4.33Å; R33-F82 HydrophobicContact CB-CZ 4.3Å; R33-F82 HydrophobicContact CG-CD1 4.28Å; R33-F82 HydrophobicContact CG-CD2 4.33Å; R33-F82 HydrophobicContact CG-CE1 3.61Å; R33-F82 HydrophobicContact CG-CE2 3.71Å; R33-F82 HydrophobicContact CG-CZ 3.3Å; F36-F82 HydrophobicContact CB-CD2 3.94Å; F36-F82 HydrophobicContact CB-CE2 4.23Å; F36-F82 HydrophobicContact CD1-CD2 4.36Å; F36-F82 AromaticContact CD2-CD2 3.85Å; F36-F82 HydrophobicContact CD2-CD2 3.85Å; F36-F82 HydrophobicContact CE1-CB 4.49Å; F36-F82 HydrophobicContact CE2-CB 4.32Å; F36-F82 HydrophobicContact CE2-CD2 4.41Å; F36-F82 AromaticContact CG-CD2 3.82Å; F36-F82 HydrophobicContact CG-CD2 3.82Å; F36-F82 HydrophobicContact CZ-CB 4.28Å; F82-E84 VanDerWaalsContact C-N 3.34Å; F82-F85 HydrophobicContact CE2-CD1 4.49Å; F82-F85 WeakPolarHBondContact O-CB 3.44Å; F82-F85 PolarHBondContact O-N 3.48Å; F82-L86 HydrophobicContact CD1-CD1 3.97Å; F82-L86 HydrophobicContact CD1-CG 4.37Å; F82-L86 HydrophobicContact CE1-CD1 3.39Å; F82-L86 HydrophobicContact CE1-CG 3.88Å; F82-L86 HydrophobicContact CZ-CD1 3.88Å; F82-L86 HydrophobicContact CZ-CD2 4.21Å; F82-L86 HydrophobicContact CZ-CG 3.94Å; F82-L86 PolarHBondContact O-N 3.27Å |
| 83 | D | 77.6 | Confident | 71.2 | Confident | 104 Ų | 104 | 67.8 Ų | 67.8 | 56% | 0.556 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -71.3 | -30.6 | 179.3 | -58.4 | -29.1 | 0 | 0 | 0 | 111.9 | T81 S87 | T81-D83 VanDerWaalsContact C-N 3.27Å; T81-D83 PolarHBondContact O-N 3.47Å; D83-S87 WeakPolarHBondContact O-CB 3.41Å; D83-S87 PolarHBondContact O-N 2.67Å; D83-S87 PolarHBondContact O-OG 3.02Å |
| 84 | E | 76.6 | Confident | 71.2 | Confident | 59 Ų | 59 | 72.4 Ų | 72.4 | 28% | 0.276 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -74.3 | -34.6 | 170.9 | -71.4 | 173.3 | 123.8 | 0 | 0 | 112.2 | K77 I80 T81 F82 S87 C88 | K77-E84 WeakPolarHBondContact CD-OE1 3.24Å; K77-E84 IonicContact NZ-OE1 2.96Å; K77-E84 PolarHBondContact NZ-OE1 3.11Å; I80-E84 HydrophobicContact CG2-CB 3.96Å; T81-E84 PolarHBondContact N-OE2 3.36Å; T81-E84 VanDerWaalsContact N-OE2 3.11Å; T81-E84 PolarHBondContact O-N 3.32Å; T81-E84 VanDerWaalsContact O-N 3.09Å; T81-E84 VanDerWaalsContact OG1-CG 3.27Å; T81-E84 WeakPolarHBondContact OG1-CG 3.31Å; T81-E84 PolarHBondContact OG1-OE2 3.06Å; F82-E84 VanDerWaalsContact C-N 3.34Å; E84-S87 PolarHBondContact O-N 3.01Å; E84-C88 VanDerWaalsContact O-CB 3.28Å; E84-C88 WeakPolarHBondContact O-CB 3.44Å; E84-C88 PolarHBondContact O-N 3Å |
| 85 | F | 80.8 | Confident | 71 | Confident | 43 Ų | 43 | 78.1 Ų | 78.1 | 19% | 0.189 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 171.5 | 175.4 | -100.6 | 0 | 0 | 0 | 111.4 | L32 F36 I80 T81 F82 C88 R89 | L32-F85 HydrophobicContact CD2-CE1 4.22Å; F36-F85 HydrophobicContact CD2-CB 4Å; F36-F85 AromaticContact CD2-CD1 3.94Å; F36-F85 HydrophobicContact CD2-CD1 3.94Å; F36-F85 HydrophobicContact CD2-CD2 4.46Å; F36-F85 AromaticContact CD2-CG 3.88Å; F36-F85 HydrophobicContact CD2-CG 3.88Å; F36-F85 HydrophobicContact CE2-CB 3.82Å; F36-F85 HydrophobicContact CE2-CG 4.19Å; I80-F85 HydrophobicContact CG2-CB 4.12Å; T81-F85 PolarHBondContact O-N 3.35Å; F82-F85 HydrophobicContact CE2-CD1 4.49Å; F82-F85 WeakPolarHBondContact O-CB 3.44Å; F82-F85 PolarHBondContact O-N 3.48Å; F85-C88 PolarHBondContact O-N 3.27Å; F85-R89 WeakPolarHBondContact O-CB 3.39Å; F85-R89 PolarHBondContact O-N 3.36Å |
| 86 | L | 79.1 | Confident | 70.9 | Confident | 45 Ų | 45 | 79.1 Ų | 79.1 | 24% | 0.236 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61.7 | -46.6 | 170 | -77.3 | 178.6 | 0 | 0 | 0 | 111.9 | E29 L32 F82 C88 R89 E90 | E29-L86 HydrophobicContact CG-CD1 4.47Å; L32-L86 HydrophobicContact CD1-CD2 4.19Å; F82-L86 HydrophobicContact CD1-CD1 3.97Å; F82-L86 HydrophobicContact CD1-CG 4.37Å; F82-L86 HydrophobicContact CE1-CD1 3.39Å; F82-L86 HydrophobicContact CE1-CG 3.88Å; F82-L86 HydrophobicContact CZ-CD1 3.88Å; F82-L86 HydrophobicContact CZ-CD2 4.21Å; F82-L86 HydrophobicContact CZ-CG 3.94Å; F82-L86 PolarHBondContact O-N 3.27Å; L86-C88 VanDerWaalsContact C-N 3.26Å; L86-C88 PolarHBondContact O-N 3.36Å; L86-R89 WeakPolarHBondContact O-CB 3.24Å; L86-R89 PolarHBondContact O-N 3.37Å; L86-E90 WeakPolarHBondContact O-CB 3.3Å; L86-E90 PolarHBondContact O-N 3.16Å |
| 87 | S | 76.8 | Confident | 70.7 | Confident | 68 Ų | 68 | 76.6 Ų | 76.6 | 48% | 0.476 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.5 | -35.8 | 176.4 | -59.4 | 0 | 0 | 0 | 0 | 112.1 | D83 E84 K91 | D83-S87 WeakPolarHBondContact O-CB 3.41Å; D83-S87 PolarHBondContact O-N 2.67Å; D83-S87 PolarHBondContact O-OG 3.02Å; E84-S87 PolarHBondContact O-N 3.01Å; S87-K91 WeakPolarHBondContact O-CB 3.48Å; S87-K91 PolarHBondContact O-N 2.68Å |
| 88 | C | 70.3 | Confident | 70.3 | Confident | 26 Ų | 26 | 75.7 Ų | 75.7 | 18% | 0.176 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -77.3 | -36.7 | 177.8 | -145.4 | 0 | 0 | 0 | 0 | 111.7 | L72 E84 F85 L86 K91 V92 | L72-C88 HydrophobicContact CD2-CB 4.19Å; E84-C88 VanDerWaalsContact O-CB 3.28Å; E84-C88 WeakPolarHBondContact O-CB 3.44Å; E84-C88 PolarHBondContact O-N 3Å; F85-C88 PolarHBondContact O-N 3.27Å; L86-C88 VanDerWaalsContact C-N 3.26Å; L86-C88 PolarHBondContact O-N 3.36Å; C88-K91 PolarHBondContact O-N 3.04Å; C88-V92 WeakPolarHBondContact O-CB 3.4Å; C88-V92 VanDerWaalsContact O-CG2 3.29Å; C88-V92 WeakPolarHBondContact O-CG2 3.49Å; C88-V92 PolarHBondContact O-N 2.6Å |
| 89 | R | 77 | Confident | 69.2 | Low | 81 Ų | 81 | 75.9 Ų | 75.9 | 31% | 0.306 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -55.5 | -53.1 | 167.5 | 177.4 | -165 | 176.9 | -153.6 | 2.1 | 110.2 | E28 F85 L86 K91 V92 F93 | E28-R89 VanDerWaalsContact CD-NH2 3.28Å; E28-R89 IonicContact OE1-NH2 2.76Å; E28-R89 PolarHBondContact OE1-NH2 3.49Å; E28-R89 IonicContact OE2-CZ 3.14Å; E28-R89 IonicContact OE2-NH1 2.71Å; E28-R89 PolarHBondContact OE2-NH1 3.05Å; E28-R89 IonicContact OE2-NH2 3.42Å; E28-R89 PolarHBondContact OE2-NH2 3.17Å; F85-R89 WeakPolarHBondContact O-CB 3.39Å; F85-R89 PolarHBondContact O-N 3.36Å; L86-R89 WeakPolarHBondContact O-CB 3.24Å; L86-R89 PolarHBondContact O-N 3.37Å; R89-K91 VanDerWaalsContact C-N 3.32Å; R89-K91 PolarHBondContact O-N 3.29Å; R89-V92 PolarHBondContact O-N 3.03Å; R89-F93 HydrophobicContact CG-CD2 4.02Å; R89-F93 HydrophobicContact CG-CE2 4.22Å; R89-F93 WeakPolarHBondContact O-CD2 3.47Å; R89-F93 PolarHBondContact O-N 2.79Å |
| 90 | E | 71.5 | Confident | 67.8 | Low | 129 Ų | 129 | 77 Ų | 77 | 60% | 0.603 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -58.7 | -45.2 | 178.9 | -175.8 | 173.8 | -140.1 | 0 | 0 | 110.7 | L86 V92 F93 Q94 | L86-E90 WeakPolarHBondContact O-CB 3.3Å; L86-E90 PolarHBondContact O-N 3.16Å; E90-V92 PolarHBondContact O-N 3.46Å; E90-F93 CarbonylContact O-C 3.48Å; E90-F93 WeakPolarHBondContact O-CB 3.31Å; E90-F93 PolarHBondContact O-N 3.07Å; E90-Q94 WeakPolarHBondContact O-CB 3.09Å; E90-Q94 PolarHBondContact O-N 2.83Å |
| 91 | K | 70.4 | Confident | 65.9 | Low | 140 Ų | 140 | 81.6 Ų | 81.6 | 61% | 0.609 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -66.3 | -32.4 | 177.5 | -162.2 | 175 | -170.4 | 179.9 | 0 | 113.9 | S87 C88 R89 Q94 M95 | S87-K91 WeakPolarHBondContact O-CB 3.48Å; S87-K91 PolarHBondContact O-N 2.68Å; C88-K91 PolarHBondContact O-N 3.04Å; R89-K91 VanDerWaalsContact C-N 3.32Å; R89-K91 PolarHBondContact O-N 3.29Å; K91-Q94 WeakPolarHBondContact O-CB 3.49Å; K91-Q94 PolarHBondContact O-N 3.23Å; K91-M95 WeakPolarHBondContact O-CB 3.04Å; K91-M95 WeakPolarHBondContact O-CG 3.49Å; K91-M95 PolarHBondContact O-N 3.35Å |
| 92 | V | 69.1 | Low | 64 | Low | 84 Ų | 84 | 83.4 Ų | 83.4 | 51% | 0.509 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -73.4 | -37.3 | 172.1 | 168.7 | 0 | 0 | 0 | 0 | 110.9 | C88 R89 E90 Q94 M95 Q96 | C88-V92 WeakPolarHBondContact O-CB 3.4Å; C88-V92 VanDerWaalsContact O-CG2 3.29Å; C88-V92 WeakPolarHBondContact O-CG2 3.49Å; C88-V92 PolarHBondContact O-N 2.6Å; R89-V92 PolarHBondContact O-N 3.03Å; E90-V92 PolarHBondContact O-N 3.46Å; V92-Q94 VanDerWaalsContact C-N 3.31Å; V92-M95 CarbonylContact O-C 3.59Å; V92-M95 PolarHBondContact O-N 3.48Å; V92-Q96 WeakPolarHBondContact O-CB 3.47Å; V92-Q96 PolarHBondContact O-N 2.75Å |
| 93 | F | 66.7 | Low | 61.9 | Low | 128 Ų | 128 | 91.1 Ų | 91.1 | 56% | 0.561 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -65.1 | -34.7 | 168.6 | -94 | -90.1 | 0 | 0 | 0 | 112.1 | R89 E90 Q96 T97 | R89-F93 HydrophobicContact CG-CD2 4.02Å; R89-F93 HydrophobicContact CG-CE2 4.22Å; R89-F93 WeakPolarHBondContact O-CD2 3.47Å; R89-F93 PolarHBondContact O-N 2.79Å; E90-F93 CarbonylContact O-C 3.48Å; E90-F93 WeakPolarHBondContact O-CB 3.31Å; E90-F93 PolarHBondContact O-N 3.07Å; F93-Q96 PolarHBondContact O-N 3.34Å; F93-T97 WeakPolarHBondContact O-CB 3.45Å; F93-T97 WeakPolarHBondContact O-CG2 3.45Å; F93-T97 PolarHBondContact O-N 3.47Å; F93-T97 PolarHBondContact O-OG1 3.25Å |
| 94 | Q | 62.6 | Low | 59.7 | Low | 111 Ų | 111 | 93 Ų | 93 | 52% | 0.519 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -67.1 | -44.2 | 173 | -150.3 | 86 | 88.8 | 0 | 0 | 110.7 | E90 K91 V92 T97 E98 | E90-Q94 WeakPolarHBondContact O-CB 3.09Å; E90-Q94 PolarHBondContact O-N 2.83Å; K91-Q94 WeakPolarHBondContact O-CB 3.49Å; K91-Q94 PolarHBondContact O-N 3.23Å; V92-Q94 VanDerWaalsContact C-N 3.31Å; Q94-T97 WeakPolarHBondContact CA-OG1 3.32Å; Q94-T97 PolarHBondContact O-N 2.81Å; Q94-T97 PolarHBondContact O-OG1 3.38Å; Q94-E98 WeakPolarHBondContact O-CB 3.34Å; Q94-E98 WeakPolarHBondContact O-CG 3.32Å; Q94-E98 PolarHBondContact O-N 2.75Å |
| 95 | M | 57.9 | Low | 57.5 | Low | 122 Ų | 122 | 93.7 Ų | 93.7 | 60% | 0.601 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -70.6 | -29.1 | 175.4 | -75.6 | -176.9 | 65 | 0 | 0 | 113.1 | K91 V92 A99 | K91-M95 WeakPolarHBondContact O-CB 3.04Å; K91-M95 WeakPolarHBondContact O-CG 3.49Å; K91-M95 PolarHBondContact O-N 3.35Å; V92-M95 CarbonylContact O-C 3.59Å; V92-M95 PolarHBondContact O-N 3.48Å; M95-A99 WeakPolarHBondContact O-CB 3.35Å; M95-A99 PolarHBondContact O-N 2.87Å |
| 96 | Q | 53.2 | Low | 55.1 | Low | 103 Ų | 103 | 99.9 Ų | 99.9 | 48% | 0.481 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.8 | -47.9 | 171.6 | -173.6 | 63 | 55.1 | 0 | 0 | 110.1 | V92 F93 E98 A99 D100 | V92-Q96 WeakPolarHBondContact O-CB 3.47Å; V92-Q96 PolarHBondContact O-N 2.75Å; F93-Q96 PolarHBondContact O-N 3.34Å; Q96-E98 VanDerWaalsContact C-N 3.31Å; Q96-E98 PolarHBondContact O-N 3.29Å; Q96-A99 PolarHBondContact O-N 3.16Å; Q96-A99 VanDerWaalsContact O-N 3.11Å; Q96-D100 PolarHBondContact NE2-OD1 3.21Å; Q96-D100 WeakPolarHBondContact O-CB 3.47Å; Q96-D100 PolarHBondContact O-N 2.89Å |
| 97 | T | 55.3 | Low | 52.6 | Low | 60 Ų | 60 | 100 Ų | 100 | 37% | 0.368 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.4 | -28.7 | 175.3 | 49.9 | 0 | 0 | 0 | 0 | 112.8 | F93 Q94 N101 | F93-T97 WeakPolarHBondContact O-CB 3.45Å; F93-T97 WeakPolarHBondContact O-CG2 3.45Å; F93-T97 PolarHBondContact O-N 3.47Å; F93-T97 PolarHBondContact O-OG1 3.25Å; Q94-T97 WeakPolarHBondContact CA-OG1 3.32Å; Q94-T97 PolarHBondContact O-N 2.81Å; Q94-T97 PolarHBondContact O-OG1 3.38Å; T97-N101 WeakPolarHBondContact O-CB 3.5Å; T97-N101 VanDerWaalsContact O-CG 3.24Å; T97-N101 PolarHBondContact O-N 3.15Å; T97-N101 PolarHBondContact O-ND2 3.33Å |
| 98 | E | 50.8 | Low | 50.3 | Low | 117 Ų | 117 | 99.6 Ų | 99.6 | 55% | 0.547 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -72.9 | -37.2 | 167 | -78.6 | -167.3 | 140.8 | 0 | 0 | 112.2 | Q94 Q96 N101 I102 | Q94-E98 WeakPolarHBondContact O-CB 3.34Å; Q94-E98 WeakPolarHBondContact O-CG 3.32Å; Q94-E98 PolarHBondContact O-N 2.75Å; Q96-E98 VanDerWaalsContact C-N 3.31Å; Q96-E98 PolarHBondContact O-N 3.29Å; E98-N101 CarbonylContact O-C 3.53Å; E98-N101 PolarHBondContact O-N 3.25Å; E98-I102 WeakPolarHBondContact O-CB 3.23Å; E98-I102 WeakPolarHBondContact O-CD1 3.23Å; E98-I102 WeakPolarHBondContact O-CG1 3.47Å; E98-I102 PolarHBondContact O-N 3.04Å |
| 99 | A | 46.4 | Very low | 48.3 | Very low | 44 Ų | 44 | 105.5 Ų | 105.5 | 36% | 0.364 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.1 | -42.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | M95 Q96 I102 Y103 | M95-A99 WeakPolarHBondContact O-CB 3.35Å; M95-A99 PolarHBondContact O-N 2.87Å; Q96-A99 PolarHBondContact O-N 3.16Å; Q96-A99 VanDerWaalsContact O-N 3.11Å; A99-I102 CarbonylContact O-C 3.57Å; A99-I102 PolarHBondContact O-N 3.43Å; A99-Y103 PolarHBondContact O-N 3.34Å |
| 100 | D | 41.2 | Very low | 45.9 | Very low | 74 Ų | 74 | 105.8 Ų | 105.8 | 40% | 0.396 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.1 | -45.1 | 174.6 | -61.3 | -21.3 | 0 | 0 | 0 | 110.1 | Q96 I102 Y103 F104 | Q96-D100 PolarHBondContact NE2-OD1 3.21Å; Q96-D100 WeakPolarHBondContact O-CB 3.47Å; Q96-D100 PolarHBondContact O-N 2.89Å; D100-I102 VanDerWaalsContact C-N 3.32Å; D100-I102 PolarHBondContact O-N 3.43Å; D100-Y103 VanDerWaalsContact O-CB 3.3Å; D100-Y103 WeakPolarHBondContact O-CB 3.35Å; D100-Y103 PolarHBondContact O-N 3.06Å; D100-Y103 VanDerWaalsContact O-N 3.17Å; D100-F104 WeakPolarHBondContact O-CD2 3.4Å; D100-F104 PolarHBondContact O-N 3.33Å |
| 101 | N | 38.3 | Very low | 43.6 | Very low | 104 Ų | 104 | 106.4 Ų | 106.4 | 56% | 0.556 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -66.7 | -28.3 | 173 | -80.4 | -53 | 0 | 0 | 0 | 113.2 | T97 E98 F104 A105 | T97-N101 WeakPolarHBondContact O-CB 3.5Å; T97-N101 VanDerWaalsContact O-CG 3.24Å; T97-N101 PolarHBondContact O-N 3.15Å; T97-N101 PolarHBondContact O-ND2 3.33Å; E98-N101 CarbonylContact O-C 3.53Å; E98-N101 PolarHBondContact O-N 3.25Å; N101-F104 CarbonylContact O-C 3.59Å; N101-F104 PolarHBondContact O-N 3.32Å; N101-A105 WeakPolarHBondContact O-CB 3.31Å; N101-A105 PolarHBondContact O-N 2.93Å |
| 102 | I | 42.3 | Very low | 41.6 | Very low | 92 Ų | 92 | 108.7 Ų | 108.7 | 47% | 0.472 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -76 | -28.4 | 173.2 | -75.5 | 164.4 | 0 | 0 | 0 | 110.8 | E98 A99 D100 K106 | E98-I102 WeakPolarHBondContact O-CB 3.23Å; E98-I102 WeakPolarHBondContact O-CD1 3.23Å; E98-I102 WeakPolarHBondContact O-CG1 3.47Å; E98-I102 PolarHBondContact O-N 3.04Å; A99-I102 CarbonylContact O-C 3.57Å; A99-I102 PolarHBondContact O-N 3.43Å; D100-I102 VanDerWaalsContact C-N 3.32Å; D100-I102 PolarHBondContact O-N 3.43Å; I102-K106 HydrophobicContact CG2-CD 4.38Å; I102-K106 WeakPolarHBondContact O-CB 3.46Å; I102-K106 WeakPolarHBondContact O-CG 3.11Å; I102-K106 PolarHBondContact O-N 3.38Å; I102-K106 VanDerWaalsContact O-N 3.13Å |
| 103 | Y | 34.9 | Very low | 39.6 | Very low | 179 Ų | 179 | 113.1 Ų | 113.1 | 70% | 0.702 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64.8 | -48.9 | 166.5 | -121.9 | -91.4 | 0 | 0 | 0 | 110.6 | A99 D100 A105 K106 | A99-Y103 PolarHBondContact O-N 3.34Å; D100-Y103 VanDerWaalsContact O-CB 3.3Å; D100-Y103 WeakPolarHBondContact O-CB 3.35Å; D100-Y103 PolarHBondContact O-N 3.06Å; D100-Y103 VanDerWaalsContact O-N 3.17Å; Y103-A105 VanDerWaalsContact C-N 3.34Å; Y103-A105 PolarHBondContact O-N 3.32Å; Y103-K106 PolarHBondContact O-N 3.02Å |
| 104 | F | 31.5 | Very low | 37.6 | Very low | 143 Ų | 143 | 114.1 Ų | 114.1 | 63% | 0.627 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67.1 | -26.3 | 174.3 | -87.4 | -77.8 | 0 | 0 | 0 | 114.3 | D100 N101 S107 | D100-F104 WeakPolarHBondContact O-CD2 3.4Å; D100-F104 PolarHBondContact O-N 3.33Å; N101-F104 CarbonylContact O-C 3.59Å; N101-F104 PolarHBondContact O-N 3.32Å; F104-S107 PolarHBondContact O-OG 3.4Å |
| 105 | A | 31.8 | Very low | 35.8 | Very low | 75 Ų | 75 | 118.9 Ų | 118.9 | 62% | 0.62 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -87.3 | -12 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | N101 Y103 | N101-A105 WeakPolarHBondContact O-CB 3.31Å; N101-A105 PolarHBondContact O-N 2.93Å; Y103-A105 VanDerWaalsContact C-N 3.34Å; Y103-A105 PolarHBondContact O-N 3.32Å |
| 106 | K | 30.5 | Very low | 34.4 | Very low | 172 Ų | 172 | 123.1 Ų | 123.1 | 75% | 0.748 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -94 | -8.2 | 176.7 | -85.1 | -176.1 | 172.4 | 177.8 | 0 | 114.7 | I102 Y103 | I102-K106 HydrophobicContact CG2-CD 4.38Å; I102-K106 WeakPolarHBondContact O-CB 3.46Å; I102-K106 WeakPolarHBondContact O-CG 3.11Å; I102-K106 PolarHBondContact O-N 3.38Å; I102-K106 VanDerWaalsContact O-N 3.13Å; Y103-K106 PolarHBondContact O-N 3.02Å |
| 107 | S | 26.2 | Very low | 33 | Very low | 47 Ų | 47 | 129 Ų | 129 | 33% | 0.329 | 65% | 0.646 | S | S | . | * | S | Bend | trans | -91.6 | 4.6 | 172.2 | 51.7 | 0 | 0 | 0 | 0 | 114.4 | F104 D177 | F104-S107 PolarHBondContact O-OG 3.4Å; S107-D177 WeakPolarHBondContact CB-OD2 3.3Å; S107-D177 PolarHBondContact OG-OD2 3.41Å |
| 108 | G | 28.7 | Very low | 31.6 | Very low | 60 Ų | 60 | 131.7 Ų | 131.7 | 62% | 0.619 | 67% | 0.667 | S | S | * | * | trans | -82.4 | 142.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 109 | L | 28.3 | Very low | 30.4 | Very low | 150 Ų | 150 | 129.9 Ų | 129.9 | 79% | 0.785 | 68% | 0.68 | S | S | * | * | trans | -81.7 | 135.8 | -173.3 | -118.5 | 99 | 0 | 0 | 0 | 115.3 | ||||
| 110 | S | 25.8 | Very low | 29.5 | Very low | 88 Ų | 88 | 135.6 Ų | 135.6 | 62% | 0.615 | 70% | 0.703 | S | S | * | * | trans | 59.6 | 119 | 143.9 | 64.3 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 111 | N | 24.8 | Very low | 28.7 | Very low | 141 Ų | 141 | 136.8 Ų | 136.8 | 75% | 0.754 | 72% | 0.717 | S | S | * | * | trans | 51.7 | 87.4 | 131.5 | -60 | -12.7 | 0 | 0 | 0 | 119.3 | ||||
| 112 | H | 26.5 | Very low | 28 | Very low | 188 Ų | 188 | 142.9 Ų | 142.9 | 87% | 0.87 | 73% | 0.733 | S | S | * | * | trans | -127.8 | 158 | 137.1 | -114.4 | 48.4 | 0 | 0 | 0 | 112.4 | ||||
| 113 | Q | 28.6 | Very low | 27.4 | Very low | 178 Ų | 178 | 144 Ų | 144 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | trans | -79.5 | 158.5 | -144.8 | -69.2 | 164.9 | -51.4 | 0 | 0 | 116.2 | ||||
| 114 | I | 23.7 | Very low | 27 | Very low | 148 Ų | 148 | 137.9 Ų | 137.9 | 76% | 0.759 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -54 | 151.1 | 167.4 | -47.9 | 173.6 | 0 | 0 | 0 | 110.5 | ||
| 115 | Y | 24.5 | Very low | 26.8 | Very low | 212 Ų | 212 | 139.1 Ų | 139.1 | 83% | 0.831 | 75% | 0.747 | S | S | * | * | trans | 81.4 | 83.7 | 173.7 | -60.3 | -77.2 | 0 | 0 | 0 | 118.1 | ||||
| 116 | K | 29 | Very low | 26.6 | Very low | 211 Ų | 211 | 140.2 Ų | 140.2 | 92% | 0.917 | 75% | 0.746 | S | S | * | * | -153.7 | 130.4 | 106.6 | -115.1 | 169.6 | -173.3 | 173.8 | 0 | 116 | |||||
| 117 | R | 24.5 | Very low | 26.8 | Very low | 227 Ų | 227 | 138.5 Ų | 138.5 | 86% | 0.857 | 75% | 0.75 | S | S | * | * | trans | -57.1 | 132.3 | 171 | 170.7 | -173.9 | -173.9 | 175.4 | 4.3 | 113.6 | ||||
| 118 | S | 24.8 | Very low | 26.8 | Very low | 115 Ų | 115 | 142.4 Ų | 142.4 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | 51.9 | 123 | 149.1 | -49 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 119 | G | 26.9 | Very low | 26.9 | Very low | 79 Ų | 79 | 148.3 Ų | 148.3 | 81% | 0.814 | 78% | 0.776 | S | S | * | * | trans | 163.4 | 121.3 | 160.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 120 | L | 26.8 | Very low | 27 | Very low | 164 Ų | 164 | 148.5 Ų | 148.5 | 86% | 0.859 | 78% | 0.776 | S | S | * | * | trans | -74.6 | 150 | 179 | -83.3 | 161.6 | 0 | 0 | 0 | 112.6 | ||||
| 121 | S | 24.9 | Very low | 27.1 | Very low | 99 Ų | 99 | 152.2 Ų | 152.2 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | trans | -34.8 | 140 | 155.9 | 171.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 122 | W | 23.6 | Very low | 27.3 | Very low | 232 Ų | 232 | 149.4 Ų | 149.4 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | trans | -134.6 | 106.4 | 148.6 | -84.1 | 90.2 | 0 | 0 | 0 | 110.8 | ||||
| 123 | C | 30.4 | Very low | 27.3 | Very low | 115 Ų | 115 | 151.2 Ų | 151.2 | 78% | 0.777 | 78% | 0.778 | S | S | * | * | trans | -72.1 | 157.3 | 153.1 | -168.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 124 | G | 26.4 | Very low | 27.3 | Very low | 52 Ų | 52 | 147.6 Ų | 147.6 | 54% | 0.536 | 77% | 0.768 | S | S | . | * | trans | 171.2 | 167.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 125 | H | 27.3 | Very low | 27.6 | Very low | 169 Ų | 169 | 148.3 Ų | 148.3 | 78% | 0.782 | 77% | 0.768 | S | S | * | * | cis | -162.7 | 165.2 | 38.2 | -80.1 | 70.8 | 0 | 0 | 0 | 109.1 | ||||
| 126 | T | 27.4 | Very low | 27.8 | Very low | 98 Ų | 98 | 144 Ų | 144 | 60% | 0.601 | 76% | 0.76 | S | S | * | * | cis | -179.5 | 155.7 | -17.6 | 35.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 127 | T | 33 | Very low | 27.8 | Very low | 136 Ų | 136 | 141.2 Ų | 141.2 | 83% | 0.834 | 76% | 0.755 | S | S | * | * | trans | -146.6 | 112.6 | 138.3 | 40.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 128 | N | 27.7 | Very low | 28 | Very low | 128 Ų | 128 | 134.1 Ų | 134.1 | 68% | 0.684 | 75% | 0.753 | S | S | * | * | 71.3 | 123.2 | 74 | -78.4 | -50.4 | 0 | 0 | 0 | 112.8 | |||||
| 129 | K | 31.1 | Very low | 28.2 | Very low | 185 Ų | 185 | 137.8 Ų | 137.8 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | cis | -139.2 | 170.3 | 22.7 | -79.1 | 140.2 | -178.3 | 171.6 | 0 | 110.3 | ||||
| 130 | I | 30 | Very low | 28 | Very low | 154 Ų | 154 | 142.3 Ų | 142.3 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | -157.8 | 121.3 | 63.1 | -73.8 | 171.9 | 0 | 0 | 0 | 108.3 | |||||
| 131 | H | 26.7 | Very low | 28.1 | Very low | 166 Ų | 166 | 139.7 Ų | 139.7 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | 45.6 | 132 | 111.6 | -95 | 63.2 | 0 | 0 | 0 | 117.1 | |||||
| 132 | A | 30.2 | Very low | 28.2 | Very low | 81 Ų | 81 | 142.4 Ų | 142.4 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | cis | -146.3 | 141.7 | 12 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 133 | R | 26.6 | Very low | 28.3 | Very low | 226 Ų | 226 | 138.3 Ų | 138.3 | 85% | 0.853 | 75% | 0.745 | S | S | * | * | 64.3 | 130.2 | 87.2 | -136.4 | -167.5 | 176.3 | -172.4 | 0.3 | 111.6 | |||||
| 134 | V | 27.2 | Very low | 28.2 | Very low | 103 Ų | 103 | 140.1 Ų | 140.1 | 62% | 0.624 | 75% | 0.747 | S | S | * | * | -164.3 | 146.1 | 56 | 171 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 135 | Q | 30.5 | Very low | 28.3 | Very low | 162 Ų | 162 | 143.4 Ų | 143.4 | 76% | 0.757 | 76% | 0.762 | S | S | * | * | trans | 80.3 | 124 | 154.8 | -83.7 | 161.8 | 7.6 | 0 | 0 | 124.4 | ||||
| 136 | N | 29.7 | Very low | 28.2 | Very low | 123 Ų | 123 | 141.4 Ų | 141.4 | 66% | 0.658 | 76% | 0.761 | S | S | * | * | trans | 71.9 | 137.9 | 137.8 | -57.5 | -6.9 | 0 | 0 | 0 | 120.7 | ||||
| 137 | N | 28.4 | Very low | 28.2 | Very low | 151 Ų | 151 | 147 Ų | 147 | 81% | 0.807 | 77% | 0.772 | S | S | * | * | cis | -159.7 | 143.5 | -16.4 | -112.1 | -6.7 | 0 | 0 | 0 | 109.6 | ||||
| 138 | G | 28.6 | Very low | 28.1 | Very low | 79 Ų | 79 | 149.1 Ų | 149.1 | 81% | 0.814 | 77% | 0.769 | S | S | * | * | trans | -167.3 | 125.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 139 | Q | 28.8 | Very low | 28.1 | Very low | 192 Ų | 192 | 151.1 Ų | 151.1 | 90% | 0.897 | 78% | 0.776 | S | S | * | * | trans | -133.9 | 91 | -163.5 | -173.5 | 177.3 | -20 | 0 | 0 | 111.7 | ||||
| 140 | E | 23.5 | Very low | 27.9 | Very low | 174 Ų | 174 | 148.3 Ų | 148.3 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | trans | -71.4 | 169.9 | 144.3 | -54.8 | -176 | 137.7 | 0 | 0 | 107.6 | ||||
| 141 | V | 28.2 | Very low | 27.8 | Very low | 109 Ų | 109 | 147.7 Ų | 147.7 | 66% | 0.661 | 76% | 0.764 | S | S | * | * | cis | -150.2 | 155 | 25.4 | -177.7 | 0 | 0 | 0 | 0 | 108 | E143 | V141-E143 HydrophobicContact CG1-CG 3.7Š| ||
| 142 | N | 27.9 | Very low | 27.8 | Very low | 156 Ų | 156 | 145 Ų | 145 | 83% | 0.834 | 76% | 0.755 | S | S | * | * | trans | -143 | 128.9 | 131.7 | -161.6 | 18.8 | 0 | 0 | 0 | 110.9 | ||||
| 143 | E | 25.2 | Very low | 27.9 | Very low | 145 Ų | 145 | 145.1 Ų | 145.1 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | trans | -88.6 | 160.3 | -179.4 | -52.4 | 177.6 | 137.2 | 0 | 0 | 110.4 | V141 | V141-E143 HydrophobicContact CG1-CG 3.7Š| ||
| 144 | N | 26.8 | Very low | 28 | Very low | 153 Ų | 153 | 138.7 Ų | 138.7 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | trans | -170.3 | 81.5 | 144.8 | -103.3 | -39.6 | 0 | 0 | 0 | 112.4 | ||||
| 145 | S | 30.3 | Very low | 28.1 | Very low | 121 Ų | 121 | 139.5 Ų | 139.5 | 85% | 0.846 | 73% | 0.726 | S | S | * | * | trans | 167.6 | 80.6 | 141.1 | -78.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 146 | V | 25.1 | Very low | 28 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 78% | 0.776 | 73% | 0.725 | S | S | * | * | trans | -144.3 | 127 | 165.8 | -174 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 147 | R | 26.7 | Very low | 28 | Very low | 216 Ų | 216 | 137.7 Ų | 137.7 | 82% | 0.815 | 72% | 0.724 | S | S | * | * | trans | 156.7 | 133.7 | 136.8 | -87.8 | 165.6 | -165.4 | -161 | 4.7 | 113.4 | ||||
| 148 | K | 30.7 | Very low | 28 | Very low | 180 Ų | 180 | 136.2 Ų | 136.2 | 78% | 0.783 | 73% | 0.726 | S | S | * | * | trans | 70.4 | 151.1 | 151.2 | -67.4 | 176.8 | 168 | -166.4 | 0 | 116.8 | ||||
| 149 | M | 27.2 | Very low | 27.8 | Very low | 170 Ų | 170 | 136.4 Ų | 136.4 | 84% | 0.837 | 72% | 0.72 | S | S | * | * | cis | -138.7 | -178.4 | -0.5 | -133 | 174.8 | -47 | 0 | 0 | 112.2 | ||||
| 150 | N | 27.2 | Very low | 27.8 | Very low | 125 Ų | 125 | 133 Ų | 133 | 67% | 0.668 | 72% | 0.717 | S | S | * | * | trans | -105.9 | 165 | -155 | -154.4 | 19.7 | 0 | 0 | 0 | 114.2 | ||||
| 151 | E | 28 | Very low | 27.8 | Very low | 141 Ų | 141 | 133.5 Ų | 133.5 | 66% | 0.659 | 72% | 0.719 | S | S | * | * | trans | 63.1 | 108.4 | 148.7 | -80.5 | 162.7 | -161.8 | 0 | 0 | 122.2 | ||||
| 152 | N | 27.4 | Very low | 27.7 | Very low | 111 Ų | 111 | 134.5 Ų | 134.5 | 59% | 0.594 | 73% | 0.726 | S | S | * | * | 96.3 | 118.5 | 109.4 | -74.9 | 2.7 | 0 | 0 | 0 | 123.8 | |||||
| 153 | I | 32.4 | Very low | 27.7 | Very low | 82 Ų | 82 | 132.6 Ų | 132.6 | 42% | 0.421 | 72% | 0.724 | S | S | . | * | 73.7 | 120.7 | 128.1 | -58.8 | 168.6 | 0 | 0 | 0 | 115.6 | N1199 | I153-N1199 WeakPolarHBondContact CG2-OD1 3.09Š| |||
| 154 | N | 29.2 | Very low | 27.8 | Very low | 91 Ų | 91 | 131.6 Ų | 131.6 | 49% | 0.487 | 72% | 0.723 | S | S | . | * | -154.4 | 167.5 | 67.2 | -146.4 | 8.9 | 0 | 0 | 0 | 118.6 | |||||
| 155 | L | 28.1 | Very low | 27.8 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 63% | 0.634 | 72% | 0.724 | S | S | * | * | trans | -47.4 | 176.7 | 165 | -59.8 | 159.7 | 0 | 0 | 0 | 114.6 | ||||
| 156 | E | 29.7 | Very low | 27.7 | Very low | 155 Ų | 155 | 132.8 Ų | 132.8 | 72% | 0.724 | 73% | 0.725 | S | S | * | * | cis | -141.2 | 149.4 | 11.2 | -118.6 | 112.3 | -173.5 | 0 | 0 | 108.5 | ||||
| 157 | S | 28.8 | Very low | 27.8 | Very low | 91 Ų | 91 | 129.7 Ų | 129.7 | 64% | 0.636 | 71% | 0.709 | S | S | * | * | cis | 82.6 | 140.1 | 35.6 | -152 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 158 | S | 27.4 | Very low | 27.9 | Very low | 121 Ų | 121 | 123.6 Ų | 123.6 | 85% | 0.846 | 71% | 0.713 | S | S | * | * | trans | -168.8 | 71.5 | 164.8 | -76.9 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 159 | A | 25.5 | Very low | 27.9 | Very low | 83 Ų | 83 | 119.2 Ų | 119.2 | 69% | 0.686 | 71% | 0.711 | S | S | * | * | 76.8 | 100.5 | 80.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 160 | S | 27.7 | Very low | 28.1 | Very low | 119 Ų | 119 | 117.3 Ų | 117.3 | 83% | 0.832 | 70% | 0.7 | S | S | * | * | trans | -146.4 | 36.9 | 162.6 | 69 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 161 | E | 24.8 | Very low | 28.6 | Very low | 185 Ų | 185 | 122.6 Ų | 122.6 | 86% | 0.864 | 71% | 0.712 | S | S | * | * | trans | -102.3 | 84.5 | 152.9 | -80.1 | -166.7 | 138.5 | 0 | 0 | 108.2 | ||||
| 162 | T | 25.2 | Very low | 29.3 | Very low | 130 Ų | 130 | 119.2 Ų | 119.2 | 80% | 0.798 | 70% | 0.698 | S | S | * | * | trans | -141.4 | 54.8 | 171.4 | 58.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 163 | S | 28 | Very low | 30.1 | Very low | 116 Ų | 116 | 119 Ų | 119 | 81% | 0.811 | 71% | 0.706 | S | S | * | * | trans | -159.5 | 37.8 | 161.6 | 68.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 164 | L | 26.8 | Very low | 30.6 | Very low | 125 Ų | 125 | 117.1 Ų | 117.1 | 65% | 0.654 | 71% | 0.707 | S | S | * | * | trans | -101.4 | 51.2 | 177.3 | -162.9 | 90.4 | 0 | 0 | 0 | 112.5 | ||||
| 165 | V | 26.9 | Very low | 31.2 | Very low | 138 Ų | 138 | 115.1 Ų | 115.1 | 84% | 0.836 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -142.2 | 67.7 | 163.8 | -167.1 | 0 | 0 | 0 | 0 | 110.3 | ||
| 166 | N | 28.4 | Very low | 32 | Very low | 161 Ų | 161 | 116.2 Ų | 116.2 | 86% | 0.861 | 70% | 0.704 | S | S | * | * | trans | -163.3 | 32.1 | 138.5 | -120.1 | -8.3 | 0 | 0 | 0 | 113.6 | G168 | N166-G168 VanDerWaalsContact C-N 3.29Å; N166-G168 PolarHBondContact O-N 3.02Å | ||
| 167 | S | 28.3 | Very low | 32.8 | Very low | 62 Ų | 62 | 112.9 Ų | 112.9 | 43% | 0.434 | 69% | 0.692 | S | S | . | * | trans | -75.9 | 72.6 | 177.2 | -65.6 | 0 | 0 | 0 | 0 | 112.7 | A169 E170 | S167-A169 PolarHBondContact O-N 2.93Å; S167-E170 WeakPolarHBondContact CB-OE1 3.41Å; S167-E170 PolarHBondContact OG-OE1 2.86Å | ||
| 168 | G | 28.7 | Very low | 33.5 | Very low | 88 Ų | 88 | 112 Ų | 112 | 91% | 0.907 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 31.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | N166 | N166-G168 VanDerWaalsContact C-N 3.29Å; N166-G168 PolarHBondContact O-N 3.02Å |
| 169 | A | 30.1 | Very low | 34.1 | Very low | 89 Ų | 89 | 110.1 Ų | 110.1 | 74% | 0.736 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.5 | 9.5 | -163.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | S167 Y171 | S167-A169 PolarHBondContact O-N 2.93Å; A169-Y171 PolarHBondContact O-N 3.35Å |
| 170 | E | 30.9 | Very low | 35.2 | Very low | 129 Ų | 129 | 107.8 Ų | 107.8 | 60% | 0.603 | 65% | 0.649 | S | S | * | * | trans | -104.8 | 47.8 | -172.8 | -64.4 | -172 | -127.6 | 0 | 0 | 112.8 | S167 | S167-E170 WeakPolarHBondContact CB-OE1 3.41Å; S167-E170 PolarHBondContact OG-OE1 2.86Å | ||
| 171 | Y | 38.1 | Very low | 36.2 | Very low | 237 Ų | 237 | 110.2 Ų | 110.2 | 93% | 0.929 | 65% | 0.647 | S | S | * | * | trans | -140.2 | 52 | 172.1 | -94.6 | -74.4 | 0 | 0 | 0 | 112.2 | A169 | A169-Y171 PolarHBondContact O-N 3.35Š| ||
| 172 | D | 42.9 | Very low | 37.7 | Very low | 69 Ų | 69 | 103.7 Ų | 103.7 | 37% | 0.369 | 62% | 0.621 | S | S | . | * | trans | -149.9 | 52.1 | 161.2 | -165.5 | 7.8 | 0 | 0 | 0 | 112.8 | G174 A175 Q311 | D172-G174 PolarHBondContact O-N 3.5Å; D172-A175 PolarHBondContact OD1-N 3.14Å; D172-Q311 PolarHBondContact OD2-NE2 3.19Å | ||
| 173 | S | 43.2 | Very low | 39.4 | Very low | 107 Ų | 107 | 103.2 Ų | 103.2 | 75% | 0.748 | 61% | 0.61 | S | S | * | * | trans | -77.3 | -1.1 | 166.9 | -60.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 174 | G | 43.2 | Very low | 41.6 | Very low | 43 Ų | 43 | 99 Ų | 99 | 44% | 0.443 | 58% | 0.58 | S | S | . | * | G | 310 helix | trans | -81.5 | -24.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114 | D172 Q176 | D172-G174 PolarHBondContact O-N 3.5Å; G174-Q176 PolarHBondContact O-N 3.38Å; G174-Q176 VanDerWaalsContact O-N 3.1Å |
| 175 | A | 43.3 | Very low | 44.3 | Very low | 48 Ų | 48 | 94.9 Ų | 94.9 | 40% | 0.397 | 56% | 0.558 | S | S | . | * | G | 310 helix | trans | -66.1 | -10.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | D172 | D172-A175 PolarHBondContact OD1-N 3.14Š|
| 176 | Q | 43.2 | Very low | 47.1 | Very low | 145 Ų | 145 | 90.4 Ų | 90.4 | 68% | 0.678 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -84.1 | -19.9 | -169.2 | -155.3 | 154.4 | 10.8 | 0 | 0 | 114.3 | G174 L178 C179 | G174-Q176 PolarHBondContact O-N 3.38Å; G174-Q176 VanDerWaalsContact O-N 3.1Å; Q176-L178 PolarHBondContact O-N 3.21Å; Q176-C179 VanDerWaalsContact O-CB 3.32Å; Q176-C179 WeakPolarHBondContact O-CB 3.48Å; Q176-C179 PolarHBondContact O-N 2.96Å |
| 177 | D | 47.7 | Very low | 49.6 | Very low | 85 Ų | 85 | 87.6 Ų | 87.6 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | G | 310 helix | trans | -67.9 | -17.3 | 179.8 | -75.9 | -6.9 | 0 | 0 | 0 | 113.7 | S107 C179 | S107-D177 WeakPolarHBondContact CB-OD2 3.3Å; S107-D177 PolarHBondContact OG-OD2 3.41Å; D177-C179 PolarHBondContact O-N 2.91Å; D177-C179 VanDerWaalsContact O-N 3.15Å |
| 178 | L | 42.7 | Very low | 52.1 | Low | 73 Ų | 73 | 86.5 Ų | 86.5 | 38% | 0.382 | 50% | 0.502 | S | S | . | . | G | 310 helix | trans | -70.4 | -1.7 | 171.2 | -62.7 | 179.1 | 0 | 0 | 0 | 113.6 | Q176 R300 I303 | Q176-L178 PolarHBondContact O-N 3.21Å; L178-R300 PolarHBondContact O-NE 3.41Å; L178-R300 PolarHBondContact O-NH1 3.42Å; L178-R300 PolarHBondContact O-NH2 3.4Å; L178-I303 HydrophobicContact CD1-CG2 3.88Å |
| 179 | C | 41.3 | Very low | 54.6 | Low | 81 Ų | 81 | 83.4 Ų | 83.4 | 55% | 0.547 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -92.6 | 1.2 | 177.7 | -73.6 | 0 | 0 | 0 | 0 | 115.4 | Q176 D177 E181 | Q176-C179 VanDerWaalsContact O-CB 3.32Å; Q176-C179 WeakPolarHBondContact O-CB 3.48Å; Q176-C179 PolarHBondContact O-N 2.96Å; D177-C179 PolarHBondContact O-N 2.91Å; D177-C179 VanDerWaalsContact O-N 3.15Å; C179-E181 PolarHBondContact O-N 2.99Å; C179-E181 VanDerWaalsContact O-N 3.11Å |
| 180 | G | 48.3 | Very low | 57 | Low | 33 Ų | 33 | 83.7 Ų | 83.7 | 34% | 0.34 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -58.3 | 116.7 | 170 | 0 | 0 | 0 | 0 | 0 | 110.7 | R300 | G180-R300 PolarHBondContact O-NH1 2.94Å; G180-R300 PolarHBondContact O-NH2 3.38Å |
| 181 | E | 49 | Very low | 59.3 | Low | 171 Ų | 171 | 84.4 Ų | 84.4 | 80% | 0.799 | 45% | 0.447 | S | S | * | . | trans | -42.7 | 136.9 | -170.1 | -166.6 | 175.5 | -172.6 | 0 | 0 | 113.1 | C179 Q183 | C179-E181 PolarHBondContact O-N 2.99Å; C179-E181 VanDerWaalsContact O-N 3.11Å; E181-Q183 PolarHBondContact O-N 2.98Å | ||
| 182 | P | 55 | Low | 61.3 | Low | 47 Ų | 47 | 74.4 Ų | 74.4 | 31% | 0.305 | 41% | 0.41 | S | S | . | . | trans | -56.7 | 113.6 | -175.2 | 23 | -34.4 | 0 | 0 | 0 | 110.3 | S184 V293 | P182-S184 PolarHBondContact O-N 3.13Å; P182-V293 HydrophobicContact CB-CG1 4.34Å; P182-V293 HydrophobicContact CG-CG1 4.1Å | ||
| 183 | Q | 62.2 | Low | 63.3 | Low | 121 Ų | 121 | 75.2 Ų | 75.2 | 57% | 0.565 | 41% | 0.41 | S | S | * | . | trans | -62.3 | 100.6 | -179.1 | -73 | -175 | 3.4 | 0 | 0 | 109.2 | E181 | E181-Q183 PolarHBondContact O-N 2.98Š| ||
| 184 | S | 74 | Confident | 64.9 | Low | 28 Ų | 28 | 72.9 Ų | 72.9 | 20% | 0.196 | 39% | 0.392 | C | S | . | . | trans | -51.4 | 139.9 | 173.5 | -179.6 | 0 | 0 | 0 | 0 | 109.5 | P182 H186 L187 L188 N289 | P182-S184 PolarHBondContact O-N 3.13Å; S184-H186 PolarHBondContact O-N 3.5Å; S184-H186 VanDerWaalsContact O-N 3.08Å; S184-H186 WeakPolarHBondContact OG-CB 3.25Å; S184-H186 PolarHBondContact OG-N 3.34Å; S184-L187 WeakPolarHBondContact O-CA 3.37Å; S184-L187 WeakPolarHBondContact O-CB 3.04Å; S184-L187 PolarHBondContact O-N 2.89Å; S184-L188 PolarHBondContact O-N 3.5Å; S184-N289 WeakPolarHBondContact CA-OD1 3.49Å; S184-N289 PolarHBondContact OG-ND2 3.34Å; S184-N289 PolarHBondContact OG-OD1 3.22Å | ||
| 185 | L | 83.3 | Confident | 66.6 | Low | 37 Ų | 37 | 75.5 Ų | 75.5 | 19% | 0.194 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -56 | -29.1 | 175.3 | -90.8 | 169.1 | 0 | 0 | 0 | 111.2 | L188 M189 F285 A288 N289 H292 | L185-L188 HydrophobicContact CD2-CD2 4.16Å; L185-L188 PolarHBondContact O-N 3.16Å; L185-M189 WeakPolarHBondContact O-CB 3.32Å; L185-M189 PolarHBondContact O-N 3.41Å; L185-F285 HydrophobicContact CB-CE1 4.2Å; L185-F285 HydrophobicContact CB-CE2 4.4Å; L185-F285 HydrophobicContact CB-CZ 3.82Å; L185-F285 WeakPolarHBondContact O-CZ 3.42Å; L185-A288 HydrophobicContact CD1-CB 4.27Å; L185-N289 HydrophobicContact CB-CB 4.17Å; L185-N289 PolarHBondContact N-OD1 2.96Å; L185-H292 HydrophobicContact CD1-CB 3.89Å; L185-H292 HydrophobicContact CG-CB 4.37Å |
| 186 | H | 85.4 | Confident | 68.4 | Low | 45 Ų | 45 | 77.4 Ų | 77.4 | 21% | 0.208 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -52.7 | -52.6 | 168.5 | -120.7 | 83.9 | 0 | 0 | 0 | 112 | S184 Q190 Y197 F201 F285 E286 | S184-H186 PolarHBondContact O-N 3.5Å; S184-H186 VanDerWaalsContact O-N 3.08Å; S184-H186 WeakPolarHBondContact OG-CB 3.25Å; S184-H186 PolarHBondContact OG-N 3.34Å; H186-Q190 WeakPolarHBondContact O-CB 3.5Å; H186-Q190 PolarHBondContact O-N 3.47Å; H186-Y197 AromaticContact CD2-CE2 3.48Å; H186-Y197 VanDerWaalsContact CD2-CE2 3.48Å; H186-Y197 WeakPolarHBondContact CD2-CE2 3.48Å; H186-Y197 AromaticContact CD2-CZ 3.69Å; H186-Y197 PolarHBondContact CD2-OH 3.31Å; H186-Y197 AromaticContact CG-CE2 3.97Å; H186-Y197 AromaticContact NE2-CE2 3.87Å; H186-Y197 PolarHBondContact NE2-OH 3.49Å; H186-F201 AromaticContact CE1-CD1 3.92Å; H186-F201 AromaticContact CE1-CE1 3.56Å; H186-F201 AromaticContact CE1-CE2 3.81Å; H186-F201 AromaticContact CE1-CZ 3.5Å; H186-F285 HydrophobicContact CB-CE1 4.42Å; H186-F285 AromaticContact ND1-CE1 3.63Å; H186-E286 IonicContact CE1-OE2 2.87Å; H186-E286 PolarHBondContact CE1-OE2 2.93Å; H186-E286 IonicContact ND1-OE1 3.33Å; H186-E286 IonicContact ND1-OE2 3.17Å; H186-E286 PolarHBondContact ND1-OE2 3.48Å |
| 187 | L | 80.4 | Confident | 70.4 | Confident | 102 Ų | 102 | 72.1 Ų | 72.1 | 53% | 0.534 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.3 | -41.3 | 176.6 | -83.5 | 162.4 | 0 | 0 | 0 | 112.4 | S184 Q190 R191 | S184-L187 WeakPolarHBondContact O-CA 3.37Å; S184-L187 WeakPolarHBondContact O-CB 3.04Å; S184-L187 PolarHBondContact O-N 2.89Å; L187-Q190 PolarHBondContact O-N 2.84Å; L187-R191 WeakPolarHBondContact O-CB 3.38Å; L187-R191 PolarHBondContact O-N 2.85Å |
| 188 | L | 81.3 | Confident | 72 | Confident | 39 Ų | 39 | 74.2 Ų | 74.2 | 20% | 0.204 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.4 | -48.2 | -179.5 | -165.8 | 70.9 | 0 | 0 | 0 | 111.2 | S184 L185 Q190 R191 D192 | S184-L188 PolarHBondContact O-N 3.5Å; L185-L188 HydrophobicContact CD2-CD2 4.16Å; L185-L188 PolarHBondContact O-N 3.16Å; L188-Q190 VanDerWaalsContact C-N 3.34Å; L188-Q190 PolarHBondContact O-N 3.25Å; L188-R191 PolarHBondContact O-N 2.79Å; L188-D192 WeakPolarHBondContact O-CB 3.33Å; L188-D192 PolarHBondContact O-N 2.88Å |
| 189 | M | 80.6 | Confident | 73.7 | Confident | 22 Ų | 22 | 76 Ų | 76 | 11% | 0.108 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -69.1 | -30.9 | 176.7 | -168.2 | 171.8 | 70.6 | 0 | 0 | 112.3 | L185 F193 L196 Y197 I200 F201 F285 | L185-M189 WeakPolarHBondContact O-CB 3.32Å; L185-M189 PolarHBondContact O-N 3.41Å; M189-F193 HydrophobicContact CG-CB 4.19Å; M189-F193 HydrophobicContact CG-CD2 4.41Å; M189-F193 CarbonylContact O-C 3.6Å; M189-F193 VanDerWaalsContact O-CA 3.3Å; M189-F193 WeakPolarHBondContact O-CA 3.23Å; M189-F193 PolarHBondContact O-N 2.72Å; M189-L196 HydrophobicContact SD-CD2 4.44Å; M189-Y197 HydrophobicContact CE-CD2 3.88Å; M189-I200 HydrophobicContact CE-CD1 4.03Å; M189-I200 HydrophobicContact SD-CD1 4.33Å; M189-F201 HydrophobicContact CE-CD2 4.15Å; M189-F201 HydrophobicContact CE-CE2 3.77Å; M189-F285 HydrophobicContact CB-CE2 4.21Å; M189-F285 HydrophobicContact CB-CZ 3.93Å; M189-F285 HydrophobicContact CE-CD2 4Å; M189-F285 HydrophobicContact CE-CE1 4.18Å; M189-F285 HydrophobicContact CE-CE2 3.44Å; M189-F285 VanDerWaalsContact CE-CE2 3.44Å; M189-F285 HydrophobicContact CE-CZ 3.53Å; M189-F285 HydrophobicContact CG-CE2 4.47Å; M189-F285 HydrophobicContact SD-CD2 4.22Å; M189-F285 HydrophobicContact SD-CE2 3.47Å; M189-F285 WeakPolarHBondContact SD-CE2 3.41Å; M189-F285 HydrophobicContact SD-CZ 3.98Å |
| 190 | Q | 81 | Confident | 75.4 | Confident | 96 Ų | 96 | 73 Ų | 73 | 45% | 0.449 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -69.6 | -31.3 | 173 | -172.3 | 175.5 | 22.7 | 0 | 0 | 112.6 | H186 L187 L188 P194 Y197 | H186-Q190 WeakPolarHBondContact O-CB 3.5Å; H186-Q190 PolarHBondContact O-N 3.47Å; L187-Q190 PolarHBondContact O-N 2.84Å; L188-Q190 VanDerWaalsContact C-N 3.34Å; L188-Q190 PolarHBondContact O-N 3.25Å; Q190-P194 WeakPolarHBondContact O-CB 3.4Å; Q190-Y197 HydrophobicContact CB-CD1 4Å; Q190-Y197 HydrophobicContact CB-CD2 3.94Å; Q190-Y197 HydrophobicContact CB-CE1 4.18Å; Q190-Y197 HydrophobicContact CB-CE2 4.13Å; Q190-Y197 HydrophobicContact CB-CG 3.89Å; Q190-Y197 HydrophobicContact CG-CD1 3.81Å; Q190-Y197 HydrophobicContact CG-CE1 3.89Å; Q190-Y197 HydrophobicContact CG-CG 4.21Å |
| 191 | R | 78.8 | Confident | 77.1 | Confident | 144 Ų | 144 | 73 Ų | 73 | 54% | 0.543 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -75.5 | -49.4 | 174.8 | -169 | -166.7 | 71 | -167.5 | -5.9 | 111.9 | L187 L188 | L187-R191 WeakPolarHBondContact O-CB 3.38Å; L187-R191 PolarHBondContact O-N 2.85Å; L188-R191 PolarHBondContact O-N 2.79Å |
| 192 | D | 80.8 | Confident | 77.9 | Confident | 27 Ų | 27 | 68.3 Ų | 68.3 | 14% | 0.144 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -89.8 | -30.1 | -168.7 | -62.3 | -15.8 | 0 | 0 | 0 | 112.6 | L188 | L188-D192 WeakPolarHBondContact O-CB 3.33Å; L188-D192 PolarHBondContact O-N 2.88Å |
| 193 | F | 84.1 | Confident | 77.7 | Confident | 85 Ų | 85 | 73.3 Ų | 73.3 | 37% | 0.373 | 36% | 0.364 | S | S | . | . | trans | -134.6 | 56.6 | -178.3 | -54.1 | -74.7 | 0 | 0 | 0 | 112.7 | M189 D195 L196 Y197 | M189-F193 HydrophobicContact CG-CB 4.19Å; M189-F193 HydrophobicContact CG-CD2 4.41Å; M189-F193 CarbonylContact O-C 3.6Å; M189-F193 VanDerWaalsContact O-CA 3.3Å; M189-F193 WeakPolarHBondContact O-CA 3.23Å; M189-F193 PolarHBondContact O-N 2.72Å; F193-D195 VanDerWaalsContact C-N 3.28Å; F193-D195 PolarHBondContact O-N 3.47Å; F193-D195 VanDerWaalsContact O-N 3.11Å; F193-L196 HydrophobicContact CB-CB 3.98Å; F193-L196 HydrophobicContact CB-CD2 4.32Å; F193-L196 PolarHBondContact O-N 3.27Å; F193-L196 VanDerWaalsContact O-N 3.11Å; F193-Y197 WeakPolarHBondContact O-CB 3.29Å; F193-Y197 PolarHBondContact O-N 2.89Å | ||
| 194 | P | 78.2 | Confident | 76.7 | Confident | 58 Ų | 58 | 73 Ų | 73 | 38% | 0.377 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -56.4 | -33.5 | -170.2 | 20.2 | -33.4 | 0 | 0 | 0 | 114.9 | Q190 K198 | Q190-P194 WeakPolarHBondContact O-CB 3.4Å; P194-K198 WeakPolarHBondContact O-CG 3.26Å; P194-K198 PolarHBondContact O-N 3.17Å |
| 195 | D | 77.3 | Confident | 74.7 | Confident | 99 Ų | 99 | 79 Ų | 79 | 53% | 0.529 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -81 | -35.6 | 179.5 | -64.3 | -39.3 | 0 | 0 | 0 | 112.7 | F193 Y197 K198 I199 | F193-D195 VanDerWaalsContact C-N 3.28Å; F193-D195 PolarHBondContact O-N 3.47Å; F193-D195 VanDerWaalsContact O-N 3.11Å; D195-Y197 VanDerWaalsContact C-N 3.29Å; D195-K198 PolarHBondContact O-N 2.87Å; D195-K198 IonicContact OD1-NZ 3.94Å; D195-K198 PolarHBondContact OD1-NZ 3.23Å; D195-I199 WeakPolarHBondContact O-CD1 3.46Å; D195-I199 VanDerWaalsContact O-CG1 3.27Å; D195-I199 WeakPolarHBondContact O-CG1 3.42Å; D195-I199 PolarHBondContact O-N 2.85Å |
| 196 | L | 81.6 | Confident | 72.2 | Confident | 87 Ų | 87 | 85 Ų | 85 | 46% | 0.455 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 169.3 | -177.8 | 64.7 | 0 | 0 | 0 | 110.3 | M189 F193 I199 I200 | M189-L196 HydrophobicContact SD-CD2 4.44Å; F193-L196 HydrophobicContact CB-CB 3.98Å; F193-L196 HydrophobicContact CB-CD2 4.32Å; F193-L196 PolarHBondContact O-N 3.27Å; F193-L196 VanDerWaalsContact O-N 3.11Å; L196-I199 PolarHBondContact O-N 3.42Å; L196-I199 VanDerWaalsContact O-N 3.14Å; L196-I200 HydrophobicContact CD1-CD1 4.02Å; L196-I200 HydrophobicContact CD1-CG1 4.4Å; L196-I200 HydrophobicContact CG-CD1 3.9Å; L196-I200 WeakPolarHBondContact O-CG1 2.84Å; L196-I200 PolarHBondContact O-N 3.29Å |
| 197 | Y | 85.2 | Confident | 69.6 | Low | 35 Ų | 35 | 88.5 Ų | 88.5 | 14% | 0.137 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -59.3 | -44.6 | 173.6 | 177.5 | -88.7 | 0 | 0 | 0 | 112.1 | H186 M189 Q190 F193 D195 I199 I200 F201 | H186-Y197 AromaticContact CD2-CE2 3.48Å; H186-Y197 VanDerWaalsContact CD2-CE2 3.48Å; H186-Y197 WeakPolarHBondContact CD2-CE2 3.48Å; H186-Y197 AromaticContact CD2-CZ 3.69Å; H186-Y197 PolarHBondContact CD2-OH 3.31Å; H186-Y197 AromaticContact CG-CE2 3.97Å; H186-Y197 AromaticContact NE2-CE2 3.87Å; H186-Y197 PolarHBondContact NE2-OH 3.49Å; M189-Y197 HydrophobicContact CE-CD2 3.88Å; Q190-Y197 HydrophobicContact CB-CD1 4Å; Q190-Y197 HydrophobicContact CB-CD2 3.94Å; Q190-Y197 HydrophobicContact CB-CE1 4.18Å; Q190-Y197 HydrophobicContact CB-CE2 4.13Å; Q190-Y197 HydrophobicContact CB-CG 3.89Å; Q190-Y197 HydrophobicContact CG-CD1 3.81Å; Q190-Y197 HydrophobicContact CG-CE1 3.89Å; Q190-Y197 HydrophobicContact CG-CG 4.21Å; F193-Y197 WeakPolarHBondContact O-CB 3.29Å; F193-Y197 PolarHBondContact O-N 2.89Å; D195-Y197 VanDerWaalsContact C-N 3.29Å; Y197-I199 VanDerWaalsContact C-N 3.3Å; Y197-I199 PolarHBondContact O-N 2.85Å; Y197-I200 PolarHBondContact O-N 2.87Å; Y197-F201 AromaticContact CD2-CD2 3.81Å; Y197-F201 HydrophobicContact CD2-CD2 3.81Å; Y197-F201 HydrophobicContact CD2-CE2 4.43Å; Y197-F201 HydrophobicContact CE1-CB 4.48Å; Y197-F201 HydrophobicContact CE2-CB 4.43Å; Y197-F201 AromaticContact CE2-CD2 3.66Å; Y197-F201 HydrophobicContact CE2-CD2 3.66Å; Y197-F201 HydrophobicContact CE2-CE2 4.29Å; Y197-F201 HydrophobicContact CE2-CG 4.31Å; Y197-F201 WeakPolarHBondContact O-CA 3.29Å; Y197-F201 WeakPolarHBondContact O-CB 3.06Å; Y197-F201 PolarHBondContact O-N 2.88Å |
| 198 | K | 81 | Confident | 67.3 | Low | 128 Ų | 128 | 89.3 Ų | 89.3 | 56% | 0.557 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -63.3 | -30.9 | 172.8 | -74 | 171.4 | -163.2 | 152.6 | 0 | 113.9 | P194 D195 F201 P202 | P194-K198 WeakPolarHBondContact O-CG 3.26Å; P194-K198 PolarHBondContact O-N 3.17Å; D195-K198 PolarHBondContact O-N 2.87Å; D195-K198 IonicContact OD1-NZ 3.94Å; D195-K198 PolarHBondContact OD1-NZ 3.23Å; K198-F201 CarbonylContact O-C 3.6Å; K198-P202 WeakPolarHBondContact O-CA 3.46Å; K198-P202 VanDerWaalsContact O-CD 3.27Å; K198-P202 WeakPolarHBondContact O-CD 3.38Å; K198-P202 VanDerWaalsContact O-N 3.1Å |
| 199 | I | 79.2 | Confident | 64.8 | Low | 111 Ų | 111 | 98 Ų | 98 | 57% | 0.569 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -76 | -38.7 | 178.8 | -70 | 163.4 | 0 | 0 | 0 | 111.1 | D195 L196 Y197 P202 L278 | D195-I199 WeakPolarHBondContact O-CD1 3.46Å; D195-I199 VanDerWaalsContact O-CG1 3.27Å; D195-I199 WeakPolarHBondContact O-CG1 3.42Å; D195-I199 PolarHBondContact O-N 2.85Å; L196-I199 PolarHBondContact O-N 3.42Å; L196-I199 VanDerWaalsContact O-N 3.14Å; Y197-I199 VanDerWaalsContact C-N 3.3Å; Y197-I199 PolarHBondContact O-N 2.85Å; I199-P202 WeakPolarHBondContact O-CD 3.4Å; I199-L278 WeakPolarHBondContact O-CD2 3.34Å |
| 200 | I | 77.6 | Confident | 62.2 | Low | 17 Ų | 17 | 104.1 Ų | 104.1 | 9% | 0.087 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -78.7 | -36.8 | 177.3 | -61.6 | 171.6 | 0 | 0 | 0 | 110.9 | M189 L196 Y197 P202 V281 R282 | M189-I200 HydrophobicContact CE-CD1 4.03Å; M189-I200 HydrophobicContact SD-CD1 4.33Å; L196-I200 HydrophobicContact CD1-CD1 4.02Å; L196-I200 HydrophobicContact CD1-CG1 4.4Å; L196-I200 HydrophobicContact CG-CD1 3.9Å; L196-I200 WeakPolarHBondContact O-CG1 2.84Å; L196-I200 PolarHBondContact O-N 3.29Å; Y197-I200 PolarHBondContact O-N 2.87Å; I200-P202 WeakPolarHBondContact O-CD 3.48Å; I200-V281 HydrophobicContact CD1-CG1 4.11Å; I200-V281 HydrophobicContact CG1-CG1 4.38Å; I200-V281 HydrophobicContact CG2-CG1 4.18Å; I200-R282 HydrophobicContact CG2-CG 3.97Å; I200-R282 PolarHBondContact O-NE 3.42Å; I200-R282 PolarHBondContact O-NH2 3.46Å |
| 201 | F | 82.3 | Confident | 59.8 | Low | 34 Ų | 34 | 108.8 Ų | 108.8 | 15% | 0.149 | 55% | 0.55 | C | S | . | . | S | Bend | trans | -122.5 | 58.9 | -178.7 | -58.6 | -76.7 | 0 | 0 | 0 | 113.2 | H186 M189 Y197 K198 L203 R282 F285 | H186-F201 AromaticContact CE1-CD1 3.92Å; H186-F201 AromaticContact CE1-CE1 3.56Å; H186-F201 AromaticContact CE1-CE2 3.81Å; H186-F201 AromaticContact CE1-CZ 3.5Å; M189-F201 HydrophobicContact CE-CD2 4.15Å; M189-F201 HydrophobicContact CE-CE2 3.77Å; Y197-F201 AromaticContact CD2-CD2 3.81Å; Y197-F201 HydrophobicContact CD2-CD2 3.81Å; Y197-F201 HydrophobicContact CD2-CE2 4.43Å; Y197-F201 HydrophobicContact CE1-CB 4.48Å; Y197-F201 HydrophobicContact CE2-CB 4.43Å; Y197-F201 AromaticContact CE2-CD2 3.66Å; Y197-F201 HydrophobicContact CE2-CD2 3.66Å; Y197-F201 HydrophobicContact CE2-CE2 4.29Å; Y197-F201 HydrophobicContact CE2-CG 4.31Å; Y197-F201 WeakPolarHBondContact O-CA 3.29Å; Y197-F201 WeakPolarHBondContact O-CB 3.06Å; Y197-F201 PolarHBondContact O-N 2.88Å; K198-F201 CarbonylContact O-C 3.6Å; F201-L203 PolarHBondContact O-N 3.41Å; F201-R282 HydrophobicContact CD1-CG 4.24Å; F201-R282 HydrophobicContact CE1-CB 4.24Å; F201-R282 HydrophobicContact CE1-CG 3.84Å; F201-R282 HydrophobicContact CZ-CG 4.4Å; F201-F285 AromaticContact CE2-CD1 3.79Å; F201-F285 HydrophobicContact CE2-CD1 3.79Å; F201-F285 AromaticContact CE2-CE1 3.97Å; F201-F285 HydrophobicContact CE2-CE1 3.97Å; F201-F285 HydrophobicContact CE2-CG 4.27Å; F201-F285 HydrophobicContact CZ-CB 4.34Å; F201-F285 AromaticContact CZ-CD1 3.61Å; F201-F285 HydrophobicContact CZ-CD1 3.61Å; F201-F285 HydrophobicContact CZ-CE1 4.18Å; F201-F285 HydrophobicContact CZ-CG 4.15Å |
| 202 | P | 67.5 | Low | 57.5 | Low | 73 Ų | 73 | 111.9 Ų | 111.9 | 47% | 0.474 | 57% | 0.568 | S | S | . | * | trans | -59.8 | 132.6 | 171.2 | 23.7 | -34.8 | 0 | 0 | 0 | 111.2 | K198 I199 I200 | K198-P202 WeakPolarHBondContact O-CA 3.46Å; K198-P202 VanDerWaalsContact O-CD 3.27Å; K198-P202 WeakPolarHBondContact O-CD 3.38Å; K198-P202 VanDerWaalsContact O-N 3.1Å; I199-P202 WeakPolarHBondContact O-CD 3.4Å; I200-P202 WeakPolarHBondContact O-CD 3.48Å | ||
| 203 | L | 49.4 | Very low | 55.1 | Low | 152 Ų | 152 | 118.7 Ų | 118.7 | 80% | 0.796 | 60% | 0.599 | S | S | * | * | trans | -59.8 | 143.7 | 179.6 | -67.5 | 169 | 0 | 0 | 0 | 111.4 | F201 M205 | F201-L203 PolarHBondContact O-N 3.41Å; L203-M205 PolarHBondContact O-N 3.24Å; L203-M205 VanDerWaalsContact O-N 3.11Å | ||
| 204 | P | 41.7 | Very low | 52.7 | Low | 113 Ų | 113 | 122 Ų | 122 | 73% | 0.734 | 62% | 0.62 | S | S | * | * | trans | -61 | 115.4 | 176.4 | -23 | 33.8 | 0 | 0 | 0 | 111.8 | N206 | P204-N206 PolarHBondContact O-N 3.06Š| ||
| 205 | M | 32.3 | Very low | 50.3 | Low | 155 Ų | 155 | 126 Ų | 126 | 76% | 0.764 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -74.4 | 45.7 | 178.1 | -73.3 | -74.3 | -78 | 0 | 0 | 113 | L203 I208 | L203-M205 PolarHBondContact O-N 3.24Å; L203-M205 VanDerWaalsContact O-N 3.11Å; M205-I208 HydrophobicContact CE-CD1 4.23Å |
| 206 | N | 30.2 | Very low | 48.2 | Very low | 162 Ų | 162 | 128.5 Ų | 128.5 | 87% | 0.866 | 66% | 0.658 | S | S | * | * | trans | -130 | 28.6 | -179.5 | -92.5 | -21.8 | 0 | 0 | 0 | 112.4 | P204 | P204-N206 PolarHBondContact O-N 3.06Š| ||
| 207 | S | 31 | Very low | 45.5 | Very low | 119 Ų | 119 | 131.3 Ų | 131.3 | 83% | 0.832 | 67% | 0.67 | S | S | * | * | trans | -132.6 | 80.7 | 164.7 | -164.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 208 | I | 33 | Very low | 42.9 | Very low | 120 Ų | 120 | 135.1 Ų | 135.1 | 62% | 0.615 | 70% | 0.697 | S | S | * | * | trans | -129.5 | 136.1 | -179.1 | -58.2 | 179.7 | 0 | 0 | 0 | 108.4 | M205 | M205-I208 HydrophobicContact CE-CD1 4.23Š| ||
| 209 | R | 27.2 | Very low | 40.4 | Very low | 221 Ų | 221 | 133.8 Ų | 133.8 | 83% | 0.834 | 70% | 0.696 | S | S | * | * | trans | 73.3 | 93.3 | 169 | -167.7 | 175.7 | -64.9 | -175.7 | -1.5 | 116.5 | ||||
| 210 | N | 27.9 | Very low | 38.1 | Very low | 151 Ų | 151 | 136.9 Ų | 136.9 | 81% | 0.807 | 71% | 0.708 | S | S | * | * | -155.7 | 166.9 | 111.6 | -96.4 | -16.5 | 0 | 0 | 0 | 110.8 | |||||
| 211 | E | 29.2 | Very low | 35.7 | Very low | 193 Ų | 193 | 142.8 Ų | 142.8 | 90% | 0.902 | 73% | 0.734 | S | S | * | * | trans | 66.3 | 84.6 | 176.8 | -59.8 | -171 | -173.2 | 0 | 0 | 116.8 | ||||
| 212 | F | 30 | Very low | 33.2 | Very low | 210 Ų | 210 | 147.7 Ų | 147.7 | 92% | 0.921 | 76% | 0.761 | S | S | * | * | trans | -130.5 | 130 | 150 | -123.7 | -82.9 | 0 | 0 | 0 | 107.2 | ||||
| 213 | E | 31.4 | Very low | 31.3 | Very low | 170 Ų | 170 | 150.7 Ų | 150.7 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | 144.2 | 106.6 | 154.2 | -85 | -170.3 | 159.5 | 0 | 0 | 111.8 | ||||
| 214 | N | 33.2 | Very low | 30.2 | Very low | 155 Ų | 155 | 150.6 Ų | 150.6 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | -173.3 | 126.6 | 101.7 | -99.6 | -83.2 | 0 | 0 | 0 | 110 | |||||
| 215 | D | 29.1 | Very low | 29.5 | Very low | 141 Ų | 141 | 149.9 Ų | 149.9 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | trans | -84.1 | 165.5 | -179.9 | -65 | -68 | 0 | 0 | 0 | 113.2 | ||||
| 216 | T | 32.3 | Very low | 29.2 | Very low | 152 Ų | 152 | 147.9 Ų | 147.9 | 93% | 0.933 | 77% | 0.766 | S | S | * | * | -142.1 | 144.8 | 129.8 | -42.4 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 217 | M | 25.6 | Very low | 29 | Very low | 146 Ų | 146 | 146.2 Ų | 146.2 | 72% | 0.719 | 76% | 0.757 | S | S | * | * | trans | -119.8 | -171.2 | -153.3 | -129.5 | -80.5 | -160.4 | 0 | 0 | 112.6 | ||||
| 218 | T | 29.7 | Very low | 28.7 | Very low | 115 Ų | 115 | 147 Ų | 147 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | trans | 95.3 | 139.6 | 158.3 | 76.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 219 | N | 28.9 | Very low | 28.6 | Very low | 99 Ų | 99 | 147.4 Ų | 147.4 | 53% | 0.529 | 76% | 0.76 | S | S | . | * | cis | -165 | 152.8 | -20.6 | -108.1 | -17.9 | 0 | 0 | 0 | 112.3 | F221 | N219-F221 HydrophobicContact CB-CD2 4.37Å; N219-F221 HydrophobicContact CB-CE2 4.31Å; N219-F221 WeakPolarHBondContact ND2-CE2 3.25Å | ||
| 220 | E | 30.4 | Very low | 28.5 | Very low | 176 Ų | 176 | 143.9 Ų | 143.9 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | 165.9 | 101.3 | 126.6 | -78.1 | -123.5 | 112.1 | 0 | 0 | 108.1 | |||||
| 221 | F | 27.7 | Very low | 28.7 | Very low | 142 Ų | 142 | 143.6 Ų | 143.6 | 62% | 0.623 | 76% | 0.756 | S | S | * | * | 73.6 | 128.8 | 80.5 | -78.8 | -56.9 | 0 | 0 | 0 | 113.7 | N219 | N219-F221 HydrophobicContact CB-CD2 4.37Å; N219-F221 HydrophobicContact CB-CE2 4.31Å; N219-F221 WeakPolarHBondContact ND2-CE2 3.25Å | |||
| 222 | N | 28.8 | Very low | 28.5 | Very low | 137 Ų | 137 | 139 Ų | 139 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | cis | -133.6 | -155.7 | 9.7 | -65.3 | -87.6 | 0 | 0 | 0 | 109.3 | ||||
| 223 | L | 28 | Very low | 28.3 | Very low | 135 Ų | 135 | 133.1 Ų | 133.1 | 71% | 0.707 | 74% | 0.735 | S | S | * | * | cis | -165.1 | 123.4 | 6.6 | -174.8 | 60 | 0 | 0 | 0 | 112.1 | ||||
| 224 | L | 26.7 | Very low | 28.1 | Very low | 151 Ų | 151 | 133.7 Ų | 133.7 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | trans | 61.1 | 147.7 | 165.3 | -60.1 | 165.5 | 0 | 0 | 0 | 116.8 | ||||
| 225 | S | 26.2 | Very low | 28 | Very low | 97 Ų | 97 | 132.4 Ų | 132.4 | 68% | 0.678 | 73% | 0.728 | S | S | * | * | cis | -170.2 | 163.3 | -5.1 | -100.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 226 | V | 26.2 | Very low | 27.9 | Very low | 113 Ų | 113 | 132.1 Ų | 132.1 | 69% | 0.685 | 73% | 0.726 | S | S | * | * | cis | -173.9 | 150.1 | -31.7 | 85.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 227 | N | 25.8 | Very low | 27.9 | Very low | 128 Ų | 128 | 132.9 Ų | 132.9 | 68% | 0.684 | 72% | 0.719 | S | S | * | * | trans | 62.3 | 148.9 | 168 | -72 | 52.7 | 0 | 0 | 0 | 117.8 | ||||
| 228 | D | 25.4 | Very low | 27.9 | Very low | 134 Ų | 134 | 133.1 Ų | 133.1 | 72% | 0.717 | 72% | 0.723 | S | S | * | * | cis | -132.9 | 179.4 | -13.3 | -74.9 | -49.3 | 0 | 0 | 0 | 105.8 | ||||
| 229 | V | 31 | Very low | 27.8 | Very low | 130 Ų | 130 | 135.1 Ų | 135.1 | 79% | 0.788 | 72% | 0.724 | S | S | * | * | cis | -163.9 | 144.8 | 45.2 | 170.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 230 | D | 25.5 | Very low | 27.8 | Very low | 147 Ų | 147 | 138.1 Ų | 138.1 | 79% | 0.786 | 73% | 0.733 | S | S | * | * | trans | -127.3 | 142.1 | 161.5 | -163.6 | -5.1 | 0 | 0 | 0 | 109.6 | ||||
| 231 | N | 31.9 | Very low | 27.5 | Very low | 145 Ų | 145 | 136.2 Ų | 136.2 | 78% | 0.775 | 73% | 0.727 | S | S | * | * | trans | -171.3 | 101 | 169.5 | -110.3 | -56.8 | 0 | 0 | 0 | 115.3 | ||||
| 232 | S | 25.7 | Very low | 27.5 | Very low | 97 Ų | 97 | 134.7 Ų | 134.7 | 68% | 0.678 | 73% | 0.73 | S | S | * | * | 43.7 | 89 | 123.4 | -177.7 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 233 | A | 25.2 | Very low | 27.3 | Very low | 85 Ų | 85 | 135.5 Ų | 135.5 | 70% | 0.702 | 73% | 0.734 | S | S | * | * | 68.8 | 145.7 | 113.4 | 0 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 234 | K | 27.3 | Very low | 27.3 | Very low | 182 Ų | 182 | 135.5 Ų | 135.5 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | trans | 106.2 | 129.8 | 140.1 | -86.2 | 176 | -178.9 | 177 | 0 | 122.8 | ||||
| 235 | D | 30.8 | Very low | 27.4 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 68% | 0.684 | 74% | 0.736 | S | S | * | * | trans | 70.9 | 148.3 | 141.5 | -59.8 | -21.7 | 0 | 0 | 0 | 121.5 | ||||
| 236 | L | 27.3 | Very low | 27.3 | Very low | 136 Ų | 136 | 136.7 Ų | 136.7 | 71% | 0.712 | 74% | 0.738 | S | S | * | * | cis | -168.4 | 162 | -34.5 | -155 | 66.7 | 0 | 0 | 0 | 109.8 | ||||
| 237 | Q | 31.7 | Very low | 27.5 | Very low | 167 Ų | 167 | 138 Ų | 138 | 78% | 0.78 | 74% | 0.74 | S | S | * | * | trans | 69.7 | 115.1 | 163.7 | -48.6 | -176.1 | -1.8 | 0 | 0 | 117.5 | ||||
| 238 | N | 26.4 | Very low | 27.4 | Very low | 151 Ų | 151 | 140 Ų | 140 | 81% | 0.807 | 75% | 0.745 | S | S | * | * | 77.8 | 136.1 | 56.6 | -94.2 | -36.7 | 0 | 0 | 0 | 117.5 | |||||
| 239 | Q | 26.7 | Very low | 27.4 | Very low | 157 Ų | 157 | 138.3 Ų | 138.3 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | trans | 74.1 | 148 | 164.5 | -67.8 | -179.2 | 46.8 | 0 | 0 | 116.7 | ||||
| 240 | K | 28.6 | Very low | 27.1 | Very low | 163 Ų | 163 | 138.1 Ų | 138.1 | 71% | 0.709 | 74% | 0.742 | S | S | * | * | cis | -160.2 | 150.6 | 14.1 | -139.6 | 178.5 | -172.7 | 176.7 | 0 | 115.3 | ||||
| 241 | L | 25 | Very low | 27.2 | Very low | 136 Ų | 136 | 138.3 Ų | 138.3 | 71% | 0.712 | 74% | 0.744 | S | S | * | * | trans | 81.1 | 128.4 | 138.6 | -127.4 | 77.5 | 0 | 0 | 0 | 124.5 | ||||
| 242 | T | 26.8 | Very low | 27.2 | Very low | 110 Ų | 110 | 139 Ų | 139 | 68% | 0.675 | 74% | 0.739 | S | S | * | * | trans | 69.5 | 110.2 | 139.3 | 37.1 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 243 | N | 25.9 | Very low | 27.2 | Very low | 153 Ų | 153 | 141.7 Ų | 141.7 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | 12.5 | 121.9 | 127.4 | -54.9 | 4.3 | 0 | 0 | 0 | 121.1 | |||||
| 244 | T | 27 | Very low | 27.3 | Very low | 136 Ų | 136 | 142.5 Ų | 142.5 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | trans | -170.4 | 160 | 137.6 | 35.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 245 | I | 28.2 | Very low | 27.4 | Very low | 138 Ų | 138 | 141.6 Ų | 141.6 | 71% | 0.708 | 75% | 0.75 | S | S | * | * | cis | -170.2 | 150.2 | -35.4 | -165.9 | 169.6 | 0 | 0 | 0 | 109 | ||||
| 246 | N | 25.4 | Very low | 27 | Very low | 134 Ų | 134 | 143.4 Ų | 143.4 | 72% | 0.717 | 76% | 0.759 | S | S | * | * | trans | 63.3 | 164.2 | 167.8 | -76 | -3.8 | 0 | 0 | 0 | 117.4 | ||||
| 247 | I | 29 | Very low | 27.5 | Very low | 141 Ų | 141 | 141.9 Ų | 141.9 | 72% | 0.723 | 76% | 0.757 | S | S | * | * | cis | -149.6 | 162.6 | -25.2 | -115.5 | 168.5 | 0 | 0 | 0 | 110.6 | ||||
| 248 | Q | 24.7 | Very low | 27.5 | Very low | 171 Ų | 171 | 145.7 Ų | 145.7 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | trans | -40.5 | 157.2 | 169.7 | -132.6 | 170.3 | 6.2 | 0 | 0 | 119.3 | ||||
| 249 | S | 25.7 | Very low | 27.5 | Very low | 97 Ų | 97 | 146.5 Ų | 146.5 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | trans | 102 | 98.6 | 140.9 | -59.7 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 250 | V | 23.7 | Very low | 27.7 | Very low | 126 Ų | 126 | 145.1 Ų | 145.1 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | 38.9 | 114.9 | 117.2 | -175.5 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 251 | N | 28.2 | Very low | 27.6 | Very low | 152 Ų | 152 | 143.7 Ų | 143.7 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | -171.9 | 178.1 | 118.1 | -110.2 | -62.3 | 0 | 0 | 0 | 116.4 | |||||
| 252 | K | 30.8 | Very low | 28 | Very low | 158 Ų | 158 | 144.1 Ų | 144.1 | 69% | 0.687 | 77% | 0.768 | S | S | * | * | trans | -81 | 169.6 | -165.6 | -65.6 | 177.6 | 176.3 | 178.9 | 0 | 116.8 | ||||
| 253 | L | 27.6 | Very low | 28 | Very low | 155 Ų | 155 | 147.3 Ų | 147.3 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | trans | -64.3 | 155.1 | -179 | -62 | 72.6 | 0 | 0 | 0 | 115.2 | ||||
| 254 | S | 26.5 | Very low | 28.4 | Very low | 102 Ų | 102 | 145.2 Ų | 145.2 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | trans | -161.3 | 134.5 | 135.7 | 67.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 255 | N | 28.7 | Very low | 28.6 | Very low | 163 Ų | 163 | 147.8 Ų | 147.8 | 87% | 0.872 | 77% | 0.772 | S | S | * | * | trans | 75.1 | 158.2 | 149.4 | -58.6 | -22.3 | 0 | 0 | 0 | 122.1 | ||||
| 256 | L | 23.5 | Very low | 28.5 | Very low | 166 Ų | 166 | 145.8 Ų | 145.8 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | trans | -122.6 | -174.7 | -161.9 | -148.2 | 78 | 0 | 0 | 0 | 110.9 | ||||
| 257 | P | 38.2 | Very low | 28.7 | Very low | 103 Ų | 103 | 146.2 Ų | 146.2 | 67% | 0.669 | 77% | 0.77 | S | S | * | * | -114.6 | 176.2 | -97.5 | 41 | -27.7 | 0 | 0 | 0 | 115.1 | |||||
| 258 | R | 29.7 | Very low | 28.7 | Very low | 248 Ų | 248 | 149.3 Ų | 149.3 | 94% | 0.936 | 78% | 0.778 | S | S | * | * | trans | -160.1 | 135.9 | 147.5 | -122.3 | 176.5 | -67.9 | 176.2 | 1.7 | 115.9 | ||||
| 259 | H | 27.7 | Very low | 29.2 | Very low | 167 Ų | 167 | 147.2 Ų | 147.2 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | -45.8 | 158.7 | 177.7 | -111.2 | -147.7 | 0 | 0 | 0 | 120.9 | ||||
| 260 | I | 29.9 | Very low | 29.5 | Very low | 129 Ų | 129 | 152.1 Ų | 152.1 | 66% | 0.662 | 79% | 0.792 | S | S | * | * | trans | 72.5 | 141.9 | 140.7 | -71.7 | 178.9 | 0 | 0 | 0 | 119 | ||||
| 261 | D | 27.4 | Very low | 29.8 | Very low | 132 Ų | 132 | 155 Ų | 155 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | cis | -168.7 | 154.1 | -23.3 | -92 | -21.2 | 0 | 0 | 0 | 108.1 | ||||
| 262 | T | 32.6 | Very low | 30.3 | Very low | 146 Ų | 146 | 153.5 Ų | 153.5 | 90% | 0.896 | 79% | 0.788 | S | S | * | * | trans | -167.4 | 143.7 | 136.1 | 3.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 263 | E | 27.9 | Very low | 30.5 | Very low | 176 Ų | 176 | 155.9 Ų | 155.9 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | -73.2 | 155.6 | -166.9 | -49.1 | 165.5 | 133.3 | 0 | 0 | 116.3 | ||||
| 264 | S | 34.5 | Very low | 31.4 | Very low | 109 Ų | 109 | 151.6 Ų | 151.6 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | 166.7 | 128.8 | 98.5 | 48.1 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 265 | F | 29.7 | Very low | 32.8 | Very low | 190 Ų | 190 | 150.8 Ų | 150.8 | 83% | 0.833 | 77% | 0.772 | S | S | * | * | trans | 35.2 | 148.8 | 137.4 | -81 | -113.4 | 0 | 0 | 0 | 122.2 | ||||
| 266 | C | 28 | Very low | 34.4 | Very low | 96 Ų | 96 | 149.8 Ų | 149.8 | 65% | 0.649 | 76% | 0.762 | S | S | * | * | cis | 175.4 | 158.2 | -8.5 | 155.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 267 | I | 28.7 | Very low | 36.8 | Very low | 143 Ų | 143 | 149.3 Ų | 149.3 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | cis | -160.9 | 132 | -32.6 | -83.3 | 168.7 | 0 | 0 | 0 | 103.9 | ||||
| 268 | K | 29.7 | Very low | 38.5 | Very low | 207 Ų | 207 | 146.7 Ų | 146.7 | 90% | 0.9 | 73% | 0.733 | S | S | * | * | trans | -174.4 | 97.1 | 152.1 | -113.1 | -178.6 | -174.4 | -177.7 | 0 | 114.1 | ||||
| 269 | S | 35.2 | Very low | 40.6 | Very low | 127 Ų | 127 | 138.1 Ų | 138.1 | 89% | 0.888 | 71% | 0.706 | S | S | * | * | trans | 171.5 | 157.3 | 136 | -85.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 270 | K | 30.6 | Very low | 43 | Very low | 199 Ų | 199 | 134.5 Ų | 134.5 | 87% | 0.865 | 69% | 0.692 | S | S | * | * | trans | -138.4 | 73.6 | -156.7 | -172.1 | -162.8 | 174.3 | -172.5 | 0 | 112.4 | ||||
| 271 | E | 30.6 | Very low | 45.5 | Very low | 186 Ų | 186 | 130.3 Ų | 130.3 | 87% | 0.869 | 67% | 0.673 | S | S | * | * | trans | -166.5 | 166.3 | 170.2 | -118.2 | 153.7 | -146.4 | 0 | 0 | 111.4 | ||||
| 272 | I | 40 | Very low | 48.2 | Very low | 122 Ų | 122 | 127.6 Ų | 127.6 | 63% | 0.626 | 65% | 0.652 | S | S | * | * | trans | 65.8 | 76.1 | 176.4 | -40.5 | -177.4 | 0 | 0 | 0 | 115.8 | N275 | I272-N275 WeakPolarHBondContact CG2-OD1 3.05Š| ||
| 273 | E | 33.3 | Very low | 50.5 | Low | 207 Ų | 207 | 127.3 Ų | 127.3 | 97% | 0.967 | 64% | 0.641 | S | S | * | * | trans | -102.6 | 17.8 | 160.7 | -155.5 | 164.8 | -141.1 | 0 | 0 | 111.4 | ||||
| 274 | S | 46.3 | Very low | 53.3 | Low | 66 Ų | 66 | 125.1 Ų | 125.1 | 46% | 0.462 | 63% | 0.634 | S | S | . | * | trans | -107.5 | -14.2 | -160.8 | 49.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 275 | N | 56 | Low | 56 | Low | 85 Ų | 85 | 121.4 Ų | 121.4 | 46% | 0.455 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -75.9 | -34.4 | -163.1 | -70.2 | 4.1 | 0 | 0 | 0 | 114.6 | I272 F277 L278 D279 | I272-N275 WeakPolarHBondContact CG2-OD1 3.05Å; N275-F277 PolarHBondContact O-N 2.62Å; N275-L278 WeakPolarHBondContact O-CB 3.35Å; N275-L278 PolarHBondContact O-N 3.36Å; N275-D279 PolarHBondContact O-N 3.43Å |
| 276 | H | 63.6 | Low | 58.7 | Low | 141 Ų | 141 | 115.5 Ų | 115.5 | 65% | 0.653 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -62.8 | -28.5 | -176.5 | -162.6 | -29.8 | 0 | 0 | 0 | 112.6 | N280 | H276-N280 PolarHBondContact CE1-OD1 2.85Å; H276-N280 PolarHBondContact ND1-ND2 3.28Å; H276-N280 PolarHBondContact ND1-OD1 3.5Å; H276-N280 WeakPolarHBondContact O-CB 3.34Å; H276-N280 PolarHBondContact O-N 3.13Å; H276-N280 VanDerWaalsContact O-N 3.17Å; H276-N280 PolarHBondContact O-ND2 3.07Å |
| 277 | F | 72.7 | Confident | 61.4 | Low | 156 Ų | 156 | 114.9 Ų | 114.9 | 68% | 0.684 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -68.3 | -45.3 | 173.1 | -177.1 | -98.9 | 0 | 0 | 0 | 111.5 | N275 N280 V281 | N275-F277 PolarHBondContact O-N 2.62Å; F277-N280 PolarHBondContact O-N 3.1Å; F277-V281 HydrophobicContact CD1-CG2 4.19Å; F277-V281 HydrophobicContact CE1-CG2 3.82Å; F277-V281 HydrophobicContact CE2-CG2 4.48Å; F277-V281 HydrophobicContact CZ-CG2 3.98Å; F277-V281 WeakPolarHBondContact O-CG2 3.49Å; F277-V281 PolarHBondContact O-N 3.36Å |
| 278 | L | 74.5 | Confident | 64.2 | Low | 49 Ų | 49 | 110 Ų | 110 | 26% | 0.257 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.9 | -42.8 | 177.6 | -92.5 | 156.4 | 0 | 0 | 0 | 112.5 | I199 N275 V281 R282 | I199-L278 WeakPolarHBondContact O-CD2 3.34Å; N275-L278 WeakPolarHBondContact O-CB 3.35Å; N275-L278 PolarHBondContact O-N 3.36Å; L278-V281 PolarHBondContact O-N 3.02Å; L278-R282 WeakPolarHBondContact O-CG 3.29Å; L278-R282 PolarHBondContact O-N 3.37Å |
| 279 | D | 74.5 | Confident | 67 | Low | 67 Ų | 67 | 100.8 Ų | 100.8 | 36% | 0.358 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -70.3 | -32.8 | 178.6 | -67.5 | -39.4 | 0 | 0 | 0 | 112.9 | N275 R282 H283 | N275-D279 PolarHBondContact O-N 3.43Å; D279-R282 WeakPolarHBondContact OD1-CD 3.35Å; D279-R282 IonicContact OD1-CZ 3.68Å; D279-R282 IonicContact OD1-NE 2.59Å; D279-R282 IonicContact OD1-NH1 2.7Å; D279-R282 PolarHBondContact OD1-NH1 2.88Å; D279-H283 PolarHBondContact O-N 3.39Å |
| 280 | N | 77.2 | Confident | 69.5 | Low | 91 Ų | 91 | 98.5 Ų | 98.5 | 49% | 0.487 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.9 | -41.5 | 169.4 | -73.7 | -9.5 | 0 | 0 | 0 | 111.8 | H276 F277 H283 L284 | H276-N280 PolarHBondContact CE1-OD1 2.85Å; H276-N280 PolarHBondContact ND1-ND2 3.28Å; H276-N280 PolarHBondContact ND1-OD1 3.5Å; H276-N280 WeakPolarHBondContact O-CB 3.34Å; H276-N280 PolarHBondContact O-N 3.13Å; H276-N280 VanDerWaalsContact O-N 3.17Å; H276-N280 PolarHBondContact O-ND2 3.07Å; F277-N280 PolarHBondContact O-N 3.1Å; N280-H283 PolarHBondContact O-N 2.86Å; N280-L284 WeakPolarHBondContact O-CB 3.42Å; N280-L284 PolarHBondContact O-N 3.43Å |
| 281 | V | 82 | Confident | 72.2 | Confident | 42 Ų | 42 | 94.3 Ų | 94.3 | 26% | 0.255 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64 | -42.4 | 176.8 | 167.6 | 0 | 0 | 0 | 0 | 111.1 | I200 F277 L278 L284 F285 | I200-V281 HydrophobicContact CD1-CG1 4.11Å; I200-V281 HydrophobicContact CG1-CG1 4.38Å; I200-V281 HydrophobicContact CG2-CG1 4.18Å; F277-V281 HydrophobicContact CD1-CG2 4.19Å; F277-V281 HydrophobicContact CE1-CG2 3.82Å; F277-V281 HydrophobicContact CE2-CG2 4.48Å; F277-V281 HydrophobicContact CZ-CG2 3.98Å; F277-V281 WeakPolarHBondContact O-CG2 3.49Å; F277-V281 PolarHBondContact O-N 3.36Å; L278-V281 PolarHBondContact O-N 3.02Å; V281-L284 PolarHBondContact O-N 3.39Å; V281-F285 VanDerWaalsContact O-CB 3.31Å; V281-F285 WeakPolarHBondContact O-CB 3.36Å; V281-F285 PolarHBondContact O-N 3.38Å |
| 282 | R | 84.9 | Confident | 74.8 | Confident | 74 Ų | 74 | 89.5 Ų | 89.5 | 28% | 0.279 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -56.8 | -51.8 | 171.9 | -73.6 | 167.1 | 168.7 | 170.6 | -9.6 | 111.9 | I200 F201 L278 D279 L284 F285 E286 | I200-R282 HydrophobicContact CG2-CG 3.97Å; I200-R282 PolarHBondContact O-NE 3.42Å; I200-R282 PolarHBondContact O-NH2 3.46Å; F201-R282 HydrophobicContact CD1-CG 4.24Å; F201-R282 HydrophobicContact CE1-CB 4.24Å; F201-R282 HydrophobicContact CE1-CG 3.84Å; F201-R282 HydrophobicContact CZ-CG 4.4Å; L278-R282 WeakPolarHBondContact O-CG 3.29Å; L278-R282 PolarHBondContact O-N 3.37Å; D279-R282 WeakPolarHBondContact OD1-CD 3.35Å; D279-R282 IonicContact OD1-CZ 3.68Å; D279-R282 IonicContact OD1-NE 2.59Å; D279-R282 IonicContact OD1-NH1 2.7Å; D279-R282 PolarHBondContact OD1-NH1 2.88Å; R282-L284 PolarHBondContact O-N 2.88Å; R282-F285 WeakPolarHBondContact O-CB 3.36Å; R282-F285 PolarHBondContact O-N 3.2Å; R282-E286 PolarHBondContact O-N 3.41Å |
| 283 | H | 81.8 | Confident | 76.8 | Confident | 140 Ų | 140 | 85.8 Ų | 85.8 | 65% | 0.648 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -62.9 | -40.2 | -179.6 | -96.1 | -64.4 | 0 | 0 | 0 | 112.8 | D279 N280 E286 C287 | D279-H283 PolarHBondContact O-N 3.39Å; N280-H283 PolarHBondContact O-N 2.86Å; H283-E286 PolarHBondContact O-N 2.92Å; H283-C287 WeakPolarHBondContact O-CB 3.41Å; H283-C287 PolarHBondContact O-N 3.26Å; H283-C287 PolarHBondContact O-SG 2.93Å; H283-C287 VanDerWaalsContact O-SG 3.33Å |
| 284 | L | 86.7 | Confident | 79.3 | Confident | 130 Ų | 130 | 82.1 Ų | 82.1 | 68% | 0.681 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -64.5 | -41.1 | 175.2 | -176.1 | 62.4 | 0 | 0 | 0 | 111.5 | N280 V281 R282 A288 | N280-L284 WeakPolarHBondContact O-CB 3.42Å; N280-L284 PolarHBondContact O-N 3.43Å; V281-L284 PolarHBondContact O-N 3.39Å; R282-L284 PolarHBondContact O-N 2.88Å; L284-A288 WeakPolarHBondContact O-CB 3.22Å; L284-A288 PolarHBondContact O-N 3.14Å |
| 285 | F | 89.7 | Confident | 80.9 | Confident | 32 Ų | 32 | 86.8 Ų | 86.8 | 14% | 0.14 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 175.8 | -170.5 | -90.1 | 0 | 0 | 0 | 112.1 | L185 H186 M189 F201 V281 R282 A288 N289 | L185-F285 HydrophobicContact CB-CE1 4.2Å; L185-F285 HydrophobicContact CB-CE2 4.4Å; L185-F285 HydrophobicContact CB-CZ 3.82Å; L185-F285 WeakPolarHBondContact O-CZ 3.42Å; H186-F285 HydrophobicContact CB-CE1 4.42Å; H186-F285 AromaticContact ND1-CE1 3.63Å; M189-F285 HydrophobicContact CB-CE2 4.21Å; M189-F285 HydrophobicContact CB-CZ 3.93Å; M189-F285 HydrophobicContact CE-CD2 4Å; M189-F285 HydrophobicContact CE-CE1 4.18Å; M189-F285 HydrophobicContact CE-CE2 3.44Å; M189-F285 VanDerWaalsContact CE-CE2 3.44Å; M189-F285 HydrophobicContact CE-CZ 3.53Å; M189-F285 HydrophobicContact CG-CE2 4.47Å; M189-F285 HydrophobicContact SD-CD2 4.22Å; M189-F285 HydrophobicContact SD-CE2 3.47Å; M189-F285 WeakPolarHBondContact SD-CE2 3.41Å; M189-F285 HydrophobicContact SD-CZ 3.98Å; F201-F285 AromaticContact CE2-CD1 3.79Å; F201-F285 HydrophobicContact CE2-CD1 3.79Å; F201-F285 AromaticContact CE2-CE1 3.97Å; F201-F285 HydrophobicContact CE2-CE1 3.97Å; F201-F285 HydrophobicContact CE2-CG 4.27Å; F201-F285 HydrophobicContact CZ-CB 4.34Å; F201-F285 AromaticContact CZ-CD1 3.61Å; F201-F285 HydrophobicContact CZ-CD1 3.61Å; F201-F285 HydrophobicContact CZ-CE1 4.18Å; F201-F285 HydrophobicContact CZ-CG 4.15Å; V281-F285 VanDerWaalsContact O-CB 3.31Å; V281-F285 WeakPolarHBondContact O-CB 3.36Å; V281-F285 PolarHBondContact O-N 3.38Å; R282-F285 WeakPolarHBondContact O-CB 3.36Å; R282-F285 PolarHBondContact O-N 3.2Å; F285-A288 CarbonylContact O-C 3.57Å; F285-A288 PolarHBondContact O-N 3.14Å; F285-N289 WeakPolarHBondContact O-CB 3.44Å; F285-N289 PolarHBondContact O-N 2.94Å |
| 286 | E | 86.5 | Confident | 82 | Confident | 65 Ų | 65 | 84.8 Ų | 84.8 | 30% | 0.304 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -72.1 | -33.3 | -178.7 | -137.5 | 56.5 | -114.8 | 0 | 0 | 112.6 | H186 R282 H283 N289 T290 | H186-E286 IonicContact CE1-OE2 2.87Å; H186-E286 PolarHBondContact CE1-OE2 2.93Å; H186-E286 IonicContact ND1-OE1 3.33Å; H186-E286 IonicContact ND1-OE2 3.17Å; H186-E286 PolarHBondContact ND1-OE2 3.48Å; R282-E286 PolarHBondContact O-N 3.41Å; H283-E286 PolarHBondContact O-N 2.92Å; E286-N289 PolarHBondContact O-N 3.41Å; E286-N289 PolarHBondContact OE1-ND2 3.37Å; E286-T290 WeakPolarHBondContact O-CB 3.45Å; E286-T290 PolarHBondContact O-N 3.3Å; E286-T290 PolarHBondContact O-OG1 2.9Å |
| 287 | C | 85.3 | Confident | 82.8 | Confident | 83 Ų | 83 | 80.5 Ų | 80.5 | 56% | 0.561 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -62.7 | -44.6 | 167.4 | -73.5 | 0 | 0 | 0 | 0 | 111.7 | H283 T290 L291 | H283-C287 WeakPolarHBondContact O-CB 3.41Å; H283-C287 PolarHBondContact O-N 3.26Å; H283-C287 PolarHBondContact O-SG 2.93Å; H283-C287 VanDerWaalsContact O-SG 3.33Å; C287-T290 PolarHBondContact O-N 2.85Å; C287-L291 WeakPolarHBondContact O-CB 3.41Å; C287-L291 PolarHBondContact O-N 3.38Å |
| 288 | A | 87.5 | Confident | 83.2 | Confident | 41 Ų | 41 | 78.4 Ų | 78.4 | 34% | 0.339 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.9 | -40.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L185 L284 F285 L291 H292 | L185-A288 HydrophobicContact CD1-CB 4.27Å; L284-A288 WeakPolarHBondContact O-CB 3.22Å; L284-A288 PolarHBondContact O-N 3.14Å; F285-A288 CarbonylContact O-C 3.57Å; F285-A288 PolarHBondContact O-N 3.14Å; A288-L291 PolarHBondContact O-N 2.94Å; A288-H292 VanDerWaalsContact O-CB 3.24Å; A288-H292 WeakPolarHBondContact O-CB 3.42Å; A288-H292 PolarHBondContact O-N 3.31Å |
| 289 | N | 89.1 | Confident | 83.8 | Confident | 13 Ų | 13 | 80.1 Ų | 80.1 | 7% | 0.07 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -59 | -50.2 | 174.7 | -170.8 | 23.9 | 0 | 0 | 0 | 111.1 | S184 L185 F285 E286 L291 H292 V293 | S184-N289 WeakPolarHBondContact CA-OD1 3.49Å; S184-N289 PolarHBondContact OG-ND2 3.34Å; S184-N289 PolarHBondContact OG-OD1 3.22Å; L185-N289 HydrophobicContact CB-CB 4.17Å; L185-N289 PolarHBondContact N-OD1 2.96Å; F285-N289 WeakPolarHBondContact O-CB 3.44Å; F285-N289 PolarHBondContact O-N 2.94Å; E286-N289 PolarHBondContact O-N 3.41Å; E286-N289 PolarHBondContact OE1-ND2 3.37Å; N289-L291 PolarHBondContact O-N 3.14Å; N289-H292 PolarHBondContact O-N 3.3Å; N289-V293 WeakPolarHBondContact O-CB 3.48Å; N289-V293 WeakPolarHBondContact O-CG2 3.23Å; N289-V293 PolarHBondContact O-N 3.44Å |
| 290 | T | 86.1 | Confident | 84 | Confident | 79 Ų | 79 | 80.5 Ų | 80.5 | 49% | 0.485 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -58.3 | -47.4 | 177.3 | -54.6 | 0 | 0 | 0 | 0 | 111.5 | E286 C287 V293 Q294 | E286-T290 WeakPolarHBondContact O-CB 3.45Å; E286-T290 PolarHBondContact O-N 3.3Å; E286-T290 PolarHBondContact O-OG1 2.9Å; C287-T290 PolarHBondContact O-N 2.85Å; T290-V293 PolarHBondContact O-N 3.22Å; T290-Q294 PolarHBondContact O-N 3.45Å |
| 291 | L | 87.3 | Confident | 84.2 | Confident | 111 Ų | 111 | 79.4 Ų | 79.4 | 58% | 0.581 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -63.7 | -41.3 | 178.5 | -174.5 | 68.5 | 0 | 0 | 0 | 112.2 | C287 A288 N289 R295 | C287-L291 WeakPolarHBondContact O-CB 3.41Å; C287-L291 PolarHBondContact O-N 3.38Å; A288-L291 PolarHBondContact O-N 2.94Å; N289-L291 PolarHBondContact O-N 3.14Å; L291-R295 VanDerWaalsContact O-CB 3.3Å; L291-R295 WeakPolarHBondContact O-CB 3.41Å; L291-R295 PolarHBondContact O-N 3.48Å |
| 292 | H | 85.2 | Confident | 84.5 | Confident | 85 Ų | 85 | 82.3 Ų | 82.3 | 39% | 0.394 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -67.2 | -43.2 | 179.4 | -165.7 | -81.2 | 0 | 0 | 0 | 111.6 | L185 A288 N289 R295 T296 | L185-H292 HydrophobicContact CD1-CB 3.89Å; L185-H292 HydrophobicContact CG-CB 4.37Å; A288-H292 VanDerWaalsContact O-CB 3.24Å; A288-H292 WeakPolarHBondContact O-CB 3.42Å; A288-H292 PolarHBondContact O-N 3.31Å; N289-H292 PolarHBondContact O-N 3.3Å; H292-R295 PolarHBondContact O-N 3.29Å; H292-T296 WeakPolarHBondContact O-CB 3.37Å; H292-T296 WeakPolarHBondContact O-CG2 3.4Å; H292-T296 PolarHBondContact O-N 3.17Å; H292-T296 PolarHBondContact O-OG1 3.06Å |
| 293 | V | 83.6 | Confident | 84.5 | Confident | 44 Ų | 44 | 82.6 Ų | 82.6 | 27% | 0.267 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.9 | -45.9 | 175.3 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | P182 N289 T290 T296 A297 | P182-V293 HydrophobicContact CB-CG1 4.34Å; P182-V293 HydrophobicContact CG-CG1 4.1Å; N289-V293 WeakPolarHBondContact O-CB 3.48Å; N289-V293 WeakPolarHBondContact O-CG2 3.23Å; N289-V293 PolarHBondContact O-N 3.44Å; T290-V293 PolarHBondContact O-N 3.22Å; V293-T296 PolarHBondContact O-OG1 2.9Å; V293-A297 VanDerWaalsContact O-CB 3.25Å; V293-A297 WeakPolarHBondContact O-CB 3.41Å; V293-A297 PolarHBondContact O-N 2.93Å |
| 294 | Q | 84.3 | Confident | 84.6 | Confident | 130 Ų | 130 | 82 Ų | 82 | 61% | 0.607 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -60.9 | -46.9 | 175.4 | -77.7 | -169.1 | -55.5 | 0 | 0 | 112.5 | T290 A297 Q298 | T290-Q294 PolarHBondContact O-N 3.45Å; Q294-A297 PolarHBondContact O-N 3.02Å; Q294-Q298 WeakPolarHBondContact O-CB 3.34Å; Q294-Q298 PolarHBondContact O-N 3.48Å |
| 295 | R | 79.9 | Confident | 84.4 | Confident | 164 Ų | 164 | 79.9 Ų | 79.9 | 62% | 0.619 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -70.4 | -36.7 | -175.5 | -162.3 | 171.5 | -173.6 | 85.2 | 0 | 112.4 | L291 H292 L299 | L291-R295 VanDerWaalsContact O-CB 3.3Å; L291-R295 WeakPolarHBondContact O-CB 3.41Å; L291-R295 PolarHBondContact O-N 3.48Å; H292-R295 PolarHBondContact O-N 3.29Å; R295-L299 HydrophobicContact CG-CD1 4.46Å; R295-L299 WeakPolarHBondContact O-CB 3.37Å; R295-L299 VanDerWaalsContact O-CG 3.3Å; R295-L299 WeakPolarHBondContact O-CG 3.36Å; R295-L299 PolarHBondContact O-N 3.27Å |
| 296 | T | 80.7 | Confident | 84.2 | Confident | 44 Ų | 44 | 83 Ų | 83 | 27% | 0.27 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -70.5 | -35.7 | 173.4 | 52.1 | 0 | 0 | 0 | 0 | 112.5 | H292 V293 R300 | H292-T296 WeakPolarHBondContact O-CB 3.37Å; H292-T296 WeakPolarHBondContact O-CG2 3.4Å; H292-T296 PolarHBondContact O-N 3.17Å; H292-T296 PolarHBondContact O-OG1 3.06Å; V293-T296 PolarHBondContact O-OG1 2.9Å; T296-R300 WeakPolarHBondContact O-CB 3.39Å; T296-R300 WeakPolarHBondContact O-CG 3.37Å; T296-R300 PolarHBondContact O-N 3.38Å |
| 297 | A | 78.7 | Confident | 84.2 | Confident | 50 Ų | 50 | 82.6 Ų | 82.6 | 41% | 0.413 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.9 | -43.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V293 Q294 R300 S301 | V293-A297 VanDerWaalsContact O-CB 3.25Å; V293-A297 WeakPolarHBondContact O-CB 3.41Å; V293-A297 PolarHBondContact O-N 2.93Å; Q294-A297 PolarHBondContact O-N 3.02Å; A297-R300 PolarHBondContact O-N 2.72Å; A297-S301 PolarHBondContact O-N 3.22Å |
| 298 | Q | 82.9 | Confident | 84.2 | Confident | 112 Ų | 112 | 83.8 Ų | 83.8 | 52% | 0.523 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59.5 | -53.6 | 176 | -175.9 | 177.8 | 0.7 | 0 | 0 | 111.2 | Q294 R300 S301 E302 | Q294-Q298 WeakPolarHBondContact O-CB 3.34Å; Q294-Q298 PolarHBondContact O-N 3.48Å; Q298-R300 VanDerWaalsContact C-N 3.27Å; Q298-R300 PolarHBondContact O-N 3.46Å; Q298-S301 PolarHBondContact O-N 3.45Å; Q298-S301 PolarHBondContact O-OG 3.13Å; Q298-E302 PolarHBondContact O-N 3.25Å |
| 299 | L | 86.3 | Confident | 84.2 | Confident | 86 Ų | 86 | 88.9 Ų | 88.9 | 45% | 0.45 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -57.7 | -38.2 | 178.5 | -72.4 | 168.1 | 0 | 0 | 0 | 112.3 | R295 E302 I303 | R295-L299 HydrophobicContact CG-CD1 4.46Å; R295-L299 WeakPolarHBondContact O-CB 3.37Å; R295-L299 VanDerWaalsContact O-CG 3.3Å; R295-L299 WeakPolarHBondContact O-CG 3.36Å; R295-L299 PolarHBondContact O-N 3.27Å; L299-E302 PolarHBondContact O-N 3.46Å; L299-I303 WeakPolarHBondContact O-CB 3.27Å; L299-I303 WeakPolarHBondContact O-CD1 3.35Å; L299-I303 VanDerWaalsContact O-CG1 3.23Å; L299-I303 WeakPolarHBondContact O-CG1 3.49Å; L299-I303 PolarHBondContact O-N 3.39Å |
| 300 | R | 78.5 | Confident | 84.1 | Confident | 74 Ų | 74 | 93 Ų | 93 | 28% | 0.279 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.5 | -36 | 174.2 | -81.6 | 176.7 | 163.7 | -173.9 | -6.2 | 113.7 | L178 G180 T296 A297 Q298 E302 R304 | L178-R300 PolarHBondContact O-NE 3.41Å; L178-R300 PolarHBondContact O-NH1 3.42Å; L178-R300 PolarHBondContact O-NH2 3.4Å; G180-R300 PolarHBondContact O-NH1 2.94Å; G180-R300 PolarHBondContact O-NH2 3.38Å; T296-R300 WeakPolarHBondContact O-CB 3.39Å; T296-R300 WeakPolarHBondContact O-CG 3.37Å; T296-R300 PolarHBondContact O-N 3.38Å; A297-R300 PolarHBondContact O-N 2.72Å; Q298-R300 VanDerWaalsContact C-N 3.27Å; Q298-R300 PolarHBondContact O-N 3.46Å; R300-E302 VanDerWaalsContact C-N 3.33Å; R300-R304 WeakPolarHBondContact O-CB 3.45Å; R300-R304 PolarHBondContact O-N 3.16Å |
| 301 | S | 82.3 | Confident | 84.2 | Confident | 68 Ų | 68 | 92.9 Ų | 92.9 | 48% | 0.476 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -67 | -38.3 | 174.3 | 72.6 | 0 | 0 | 0 | 0 | 111.7 | A297 Q298 R304 D305 | A297-S301 PolarHBondContact O-N 3.22Å; Q298-S301 PolarHBondContact O-N 3.45Å; Q298-S301 PolarHBondContact O-OG 3.13Å; S301-R304 PolarHBondContact O-N 2.89Å; S301-D305 PolarHBondContact O-N 3.33Å |
| 302 | E | 87.3 | Confident | 84.1 | Confident | 103 Ų | 103 | 89.4 Ų | 89.4 | 48% | 0.481 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -70.8 | -43.9 | 179.8 | -160.6 | 162 | -126.8 | 0 | 0 | 111.3 | Q298 L299 R300 R304 D305 L306 | Q298-E302 PolarHBondContact O-N 3.25Å; L299-E302 PolarHBondContact O-N 3.46Å; R300-E302 VanDerWaalsContact C-N 3.33Å; E302-R304 VanDerWaalsContact C-N 3.32Å; E302-R304 PolarHBondContact O-N 3.1Å; E302-D305 PolarHBondContact O-N 3.41Å; E302-L306 WeakPolarHBondContact O-CB 3.42Å; E302-L306 WeakPolarHBondContact O-CD1 3.37Å; E302-L306 VanDerWaalsContact O-CG 3.23Å; E302-L306 WeakPolarHBondContact O-CG 3.36Å; E302-L306 PolarHBondContact O-N 3.27Å |
| 303 | I | 84.2 | Confident | 84.1 | Confident | 81 Ų | 81 | 89.4 Ų | 89.4 | 42% | 0.415 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -59.4 | -40.9 | 170.5 | -70.5 | 164.3 | 0 | 0 | 0 | 111.2 | L178 L299 L306 S307 | L178-I303 HydrophobicContact CD1-CG2 3.88Å; L299-I303 WeakPolarHBondContact O-CB 3.27Å; L299-I303 WeakPolarHBondContact O-CD1 3.35Å; L299-I303 VanDerWaalsContact O-CG1 3.23Å; L299-I303 WeakPolarHBondContact O-CG1 3.49Å; L299-I303 PolarHBondContact O-N 3.39Å; I303-L306 PolarHBondContact O-N 2.96Å; I303-S307 WeakPolarHBondContact O-CB 3.19Å; I303-S307 PolarHBondContact O-N 2.96Å; I303-S307 PolarHBondContact O-OG 3.39Å |
| 304 | R | 83.7 | Confident | 84.1 | Confident | 127 Ų | 127 | 91.3 Ų | 91.3 | 48% | 0.479 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.7 | -44.5 | 178.7 | -171.2 | -173.3 | -63.8 | 160.3 | -1.9 | 112.4 | R300 S301 E302 S307 H308 | R300-R304 WeakPolarHBondContact O-CB 3.45Å; R300-R304 PolarHBondContact O-N 3.16Å; S301-R304 PolarHBondContact O-N 2.89Å; E302-R304 VanDerWaalsContact C-N 3.32Å; E302-R304 PolarHBondContact O-N 3.1Å; R304-S307 PolarHBondContact O-N 3.38Å; R304-H308 PolarHBondContact O-CD2 3.45Å; R304-H308 PolarHBondContact O-N 3.13Å |
| 305 | D | 83.8 | Confident | 84.3 | Confident | 85 Ų | 85 | 89 Ų | 89 | 46% | 0.455 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.4 | -42.7 | 174.6 | -175.4 | 68.1 | 0 | 0 | 0 | 111.4 | S301 E302 S307 H308 R309 | S301-D305 PolarHBondContact O-N 3.33Å; E302-D305 PolarHBondContact O-N 3.41Å; D305-S307 PolarHBondContact O-N 2.99Å; D305-H308 PolarHBondContact O-N 3.1Å; D305-R309 WeakPolarHBondContact O-CB 3.3Å; D305-R309 VanDerWaalsContact O-CG 3.25Å; D305-R309 WeakPolarHBondContact O-CG 3.35Å; D305-R309 PolarHBondContact O-N 3.43Å; D305-R309 WeakPolarHBondContact OD2-CD 3.11Å; D305-R309 IonicContact OD2-NH1 3.73Å; D305-R309 PolarHBondContact OD2-NH1 3.06Å |
| 306 | L | 85.3 | Confident | 84.7 | Confident | 97 Ų | 97 | 83 Ų | 83 | 51% | 0.508 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.6 | -42 | 175 | -73.7 | 167.8 | 0 | 0 | 0 | 112.2 | E302 I303 R309 L310 | E302-L306 WeakPolarHBondContact O-CB 3.42Å; E302-L306 WeakPolarHBondContact O-CD1 3.37Å; E302-L306 VanDerWaalsContact O-CG 3.23Å; E302-L306 WeakPolarHBondContact O-CG 3.36Å; E302-L306 PolarHBondContact O-N 3.27Å; I303-L306 PolarHBondContact O-N 2.96Å; L306-R309 PolarHBondContact O-N 2.97Å; L306-L310 VanDerWaalsContact O-CB 3.32Å; L306-L310 WeakPolarHBondContact O-CB 3.5Å; L306-L310 PolarHBondContact O-N 2.88Å |
| 307 | S | 86.1 | Confident | 84.8 | Confident | 57 Ų | 57 | 85.1 Ų | 85.1 | 40% | 0.399 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.7 | -46.9 | 175.5 | -70.8 | 0 | 0 | 0 | 0 | 112.5 | I303 R304 D305 R309 L310 Q311 | I303-S307 WeakPolarHBondContact O-CB 3.19Å; I303-S307 PolarHBondContact O-N 2.96Å; I303-S307 PolarHBondContact O-OG 3.39Å; R304-S307 PolarHBondContact O-N 3.38Å; D305-S307 PolarHBondContact O-N 2.99Å; S307-R309 VanDerWaalsContact C-N 3.31Å; S307-R309 PolarHBondContact O-N 3.14Å; S307-L310 WeakPolarHBondContact O-CB 3.38Å; S307-L310 PolarHBondContact O-N 3.24Å; S307-Q311 WeakPolarHBondContact O-CB 3.39Å; S307-Q311 PolarHBondContact O-N 3.4Å |
| 308 | H | 84.8 | Confident | 85.2 | Confident | 108 Ų | 108 | 85.2 Ų | 85.2 | 50% | 0.5 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.3 | -38.2 | 175.4 | -74.6 | -47.4 | 0 | 0 | 0 | 112.2 | R304 D305 Q311 G312 | R304-H308 PolarHBondContact O-CD2 3.45Å; R304-H308 PolarHBondContact O-N 3.13Å; D305-H308 PolarHBondContact O-N 3.1Å; H308-Q311 PolarHBondContact O-N 2.88Å; H308-G312 PolarHBondContact O-N 3.46Å |
| 309 | R | 88.2 | Confident | 85.3 | Confident | 148 Ų | 148 | 85.2 Ų | 85.2 | 56% | 0.558 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -67.2 | -40.4 | 174 | -72.7 | 170.3 | 63.4 | -169.6 | -2.5 | 111.9 | D305 L306 S307 G312 L313 | D305-R309 WeakPolarHBondContact O-CB 3.3Å; D305-R309 VanDerWaalsContact O-CG 3.25Å; D305-R309 WeakPolarHBondContact O-CG 3.35Å; D305-R309 PolarHBondContact O-N 3.43Å; D305-R309 WeakPolarHBondContact OD2-CD 3.11Å; D305-R309 IonicContact OD2-NH1 3.73Å; D305-R309 PolarHBondContact OD2-NH1 3.06Å; L306-R309 PolarHBondContact O-N 2.97Å; S307-R309 VanDerWaalsContact C-N 3.31Å; S307-R309 PolarHBondContact O-N 3.14Å; R309-G312 PolarHBondContact O-N 2.9Å; R309-L313 WeakPolarHBondContact O-CB 3.11Å; R309-L313 WeakPolarHBondContact O-CG 3.38Å; R309-L313 PolarHBondContact O-N 3.35Å |
| 310 | L | 87.2 | Confident | 85.4 | Confident | 99 Ų | 99 | 85.2 Ų | 85.2 | 52% | 0.518 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 174.5 | -172.3 | 71.1 | 0 | 0 | 0 | 111 | L306 S307 L313 Q314 | L306-L310 VanDerWaalsContact O-CB 3.32Å; L306-L310 WeakPolarHBondContact O-CB 3.5Å; L306-L310 PolarHBondContact O-N 2.88Å; S307-L310 WeakPolarHBondContact O-CB 3.38Å; S307-L310 PolarHBondContact O-N 3.24Å; L310-L313 CarbonylContact O-C 3.58Å; L310-L313 PolarHBondContact O-N 3.24Å; L310-Q314 VanDerWaalsContact O-CB 3.28Å; L310-Q314 WeakPolarHBondContact O-CB 3.32Å; L310-Q314 PolarHBondContact O-N 2.89Å |
| 311 | Q | 87.5 | Confident | 85.9 | Confident | 78 Ų | 78 | 86.9 Ų | 86.9 | 36% | 0.364 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.8 | -39.1 | 177.2 | -173.4 | 175.4 | 61.6 | 0 | 0 | 112.6 | D172 S307 H308 Q314 T315 | D172-Q311 PolarHBondContact OD2-NE2 3.19Å; S307-Q311 WeakPolarHBondContact O-CB 3.39Å; S307-Q311 PolarHBondContact O-N 3.4Å; H308-Q311 PolarHBondContact O-N 2.88Å; Q311-Q314 PolarHBondContact O-N 3.45Å; Q311-T315 WeakPolarHBondContact O-CG2 3.48Å; Q311-T315 PolarHBondContact O-N 3.17Å; Q311-T315 PolarHBondContact O-OG1 2.76Å |
| 312 | G | 86 | Confident | 86.2 | Confident | 38 Ų | 38 | 90.3 Ų | 90.3 | 39% | 0.392 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.3 | -37.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | H308 R309 T315 S316 | H308-G312 PolarHBondContact O-N 3.46Å; R309-G312 PolarHBondContact O-N 2.9Å; G312-T315 PolarHBondContact O-OG1 3.2Å; G312-S316 WeakPolarHBondContact O-CB 3.39Å; G312-S316 PolarHBondContact O-N 2.93Å |
| 313 | L | 84.2 | Confident | 86.2 | Confident | 84 Ų | 84 | 89.2 Ų | 89.2 | 44% | 0.44 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -72.1 | -33.9 | 175.3 | -69.5 | 167.5 | 0 | 0 | 0 | 112.2 | R309 L310 R317 R1543 | R309-L313 WeakPolarHBondContact O-CB 3.11Å; R309-L313 WeakPolarHBondContact O-CG 3.38Å; R309-L313 PolarHBondContact O-N 3.35Å; L310-L313 CarbonylContact O-C 3.58Å; L310-L313 PolarHBondContact O-N 3.24Å; L313-R317 WeakPolarHBondContact O-CB 3.17Å; L313-R317 PolarHBondContact O-N 3.42Å; L313-R1543 PolarHBondContact O-NH2 3.46Å |
| 314 | Q | 85.2 | Confident | 86.3 | Confident | 84 Ų | 84 | 89.5 Ų | 89.5 | 39% | 0.393 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66 | -54.5 | 174.9 | 179.6 | 109.8 | -27 | 0 | 0 | 110.5 | L310 Q311 S316 R317 D318 | L310-Q314 VanDerWaalsContact O-CB 3.28Å; L310-Q314 WeakPolarHBondContact O-CB 3.32Å; L310-Q314 PolarHBondContact O-N 2.89Å; Q311-Q314 PolarHBondContact O-N 3.45Å; Q314-S316 VanDerWaalsContact C-N 3.3Å; Q314-S316 PolarHBondContact O-N 2.73Å; Q314-R317 WeakPolarHBondContact O-CB 3.37Å; Q314-R317 PolarHBondContact O-N 2.97Å; Q314-R317 VanDerWaalsContact O-N 3.08Å; Q314-D318 PolarHBondContact O-N 3.22Å |
| 315 | T | 87.8 | Confident | 86.6 | Confident | 82 Ų | 82 | 87.8 Ų | 87.8 | 50% | 0.503 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.4 | -37.6 | 176.6 | 50.5 | 0 | 0 | 0 | 0 | 112.4 | Q311 G312 D318 M319 | Q311-T315 WeakPolarHBondContact O-CG2 3.48Å; Q311-T315 PolarHBondContact O-N 3.17Å; Q311-T315 PolarHBondContact O-OG1 2.76Å; G312-T315 PolarHBondContact O-OG1 3.2Å; T315-D318 PolarHBondContact O-N 3.5Å; T315-M319 WeakPolarHBondContact O-CB 3.48Å; T315-M319 WeakPolarHBondContact O-CG 3.32Å; T315-M319 PolarHBondContact O-N 3.48Å |
| 316 | S | 88.3 | Confident | 87 | Confident | 39 Ų | 39 | 88.2 Ų | 88.2 | 27% | 0.273 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -59.7 | -45.5 | 170.2 | 162.4 | 0 | 0 | 0 | 0 | 113 | G312 Q314 D318 N320 R1543 | G312-S316 WeakPolarHBondContact O-CB 3.39Å; G312-S316 PolarHBondContact O-N 2.93Å; Q314-S316 VanDerWaalsContact C-N 3.3Å; Q314-S316 PolarHBondContact O-N 2.73Å; S316-D318 VanDerWaalsContact C-N 3.35Å; S316-N320 WeakPolarHBondContact O-CB 3.42Å; S316-N320 VanDerWaalsContact O-CG 3.27Å; S316-N320 PolarHBondContact O-N 2.96Å; S316-N320 PolarHBondContact O-OD1 3.49Å; S316-R1543 PolarHBondContact OG-NH1 3.47Å; S316-R1543 PolarHBondContact OG-NH2 3.43Å |
| 317 | R | 82.8 | Confident | 86.9 | Confident | 87 Ų | 87 | 87.6 Ų | 87.6 | 33% | 0.328 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.6 | -45.7 | 176.8 | 177.2 | -161.6 | 68.9 | -148.2 | -5 | 110.7 | L313 Q314 N320 H321 | L313-R317 WeakPolarHBondContact O-CB 3.17Å; L313-R317 PolarHBondContact O-N 3.42Å; Q314-R317 WeakPolarHBondContact O-CB 3.37Å; Q314-R317 PolarHBondContact O-N 2.97Å; Q314-R317 VanDerWaalsContact O-N 3.08Å; R317-N320 PolarHBondContact O-N 3.48Å; R317-H321 WeakPolarHBondContact O-CB 3.48Å; R317-H321 PolarHBondContact O-N 3.15Å |
| 318 | D | 87.2 | Confident | 87 | Confident | 53 Ų | 53 | 90.4 Ų | 90.4 | 28% | 0.283 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -73.9 | -33.2 | -173.7 | -58.5 | -20 | 0 | 0 | 0 | 111.8 | Q314 T315 S316 R322 | Q314-D318 PolarHBondContact O-N 3.22Å; T315-D318 PolarHBondContact O-N 3.5Å; S316-D318 VanDerWaalsContact C-N 3.35Å; D318-R322 WeakPolarHBondContact O-CG 3.3Å; D318-R322 PolarHBondContact O-N 3.47Å; D318-R322 VanDerWaalsContact O-N 3.1Å |
| 319 | M | 85.3 | Confident | 87.2 | Confident | 111 Ų | 111 | 92.1 Ų | 92.1 | 55% | 0.547 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.1 | -48.6 | 166.6 | -77.5 | -64.9 | -71.1 | 0 | 0 | 112.2 | T315 H321 R322 E323 | T315-M319 WeakPolarHBondContact O-CB 3.48Å; T315-M319 WeakPolarHBondContact O-CG 3.32Å; T315-M319 PolarHBondContact O-N 3.48Å; M319-H321 VanDerWaalsContact C-N 3.3Å; M319-H321 PolarHBondContact O-N 3.02Å; M319-R322 PolarHBondContact O-N 2.9Å; M319-R322 PolarHBondContact SD-NH2 3.14Å; M319-E323 PolarHBondContact O-N 3.11Å |
| 320 | N | 87.3 | Confident | 87.1 | Confident | 86 Ų | 86 | 88.9 Ų | 88.9 | 46% | 0.46 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.6 | -37.8 | 178.2 | -73.4 | 1.9 | 0 | 0 | 0 | 111.7 | S316 R317 E323 V324 | S316-N320 WeakPolarHBondContact O-CB 3.42Å; S316-N320 VanDerWaalsContact O-CG 3.27Å; S316-N320 PolarHBondContact O-N 2.96Å; S316-N320 PolarHBondContact O-OD1 3.49Å; R317-N320 PolarHBondContact O-N 3.48Å; N320-E323 PolarHBondContact O-N 3.27Å; N320-V324 WeakPolarHBondContact O-CG2 3.4Å; N320-V324 PolarHBondContact O-N 3.06Å |
| 321 | H | 89.8 | Confident | 87 | Confident | 109 Ų | 109 | 89.1 Ų | 89.1 | 51% | 0.505 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65 | -41.7 | 176.7 | -167.1 | 78.4 | 0 | 0 | 0 | 111.9 | R317 M319 V324 Q325 | R317-H321 WeakPolarHBondContact O-CB 3.48Å; R317-H321 PolarHBondContact O-N 3.15Å; M319-H321 VanDerWaalsContact C-N 3.3Å; M319-H321 PolarHBondContact O-N 3.02Å; H321-V324 PolarHBondContact O-N 2.93Å; H321-Q325 PolarHBondContact CD2-NE2 3.43Å; H321-Q325 PolarHBondContact NE2-NE2 2.76Å; H321-Q325 WeakPolarHBondContact O-CG 3.26Å; H321-Q325 PolarHBondContact O-N 3.17Å |
| 322 | R | 87.9 | Confident | 87 | Confident | 141 Ų | 141 | 89 Ų | 89 | 53% | 0.532 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 172.6 | -75 | -174.1 | -72.7 | -105.6 | 4.5 | 112.4 | D318 M319 Q325 R326 | D318-R322 WeakPolarHBondContact O-CG 3.3Å; D318-R322 PolarHBondContact O-N 3.47Å; D318-R322 VanDerWaalsContact O-N 3.1Å; M319-R322 PolarHBondContact O-N 2.9Å; M319-R322 PolarHBondContact SD-NH2 3.14Å; R322-Q325 PolarHBondContact O-N 3.27Å; R322-R326 PolarHBondContact O-N 3.2Å |
| 323 | E | 88.1 | Confident | 87.2 | Confident | 79 Ų | 79 | 93.7 Ų | 93.7 | 37% | 0.369 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -69.5 | -38.4 | 178.7 | -176 | 62 | -176.4 | 0 | 0 | 112.3 | M319 N320 Q325 R326 L327 | M319-E323 PolarHBondContact O-N 3.11Å; N320-E323 PolarHBondContact O-N 3.27Å; E323-Q325 VanDerWaalsContact C-N 3.34Å; E323-Q325 PolarHBondContact O-N 2.76Å; E323-R326 VanDerWaalsContact CD-NE 3.32Å; E323-R326 WeakPolarHBondContact O-CB 3.37Å; E323-R326 PolarHBondContact O-N 2.73Å; E323-R326 VanDerWaalsContact O-N 3.12Å; E323-R326 IonicContact OE1-CZ 3.13Å; E323-R326 IonicContact OE1-NE 2.75Å; E323-R326 PolarHBondContact OE1-NE 2.84Å; E323-R326 VanDerWaalsContact OE1-NE 3.17Å; E323-R326 IonicContact OE1-NH2 2.68Å; E323-R326 PolarHBondContact OE1-NH2 3.5Å; E323-R326 WeakPolarHBondContact OE2-CD 3.39Å; E323-R326 IonicContact OE2-CZ 3.23Å; E323-R326 IonicContact OE2-NE 3.12Å; E323-R326 PolarHBondContact OE2-NE 3.44Å; E323-R326 IonicContact OE2-NH2 2.78Å; E323-L327 HydrophobicContact CG-CD1 4.18Å; E323-L327 WeakPolarHBondContact O-CG 3.32Å; E323-L327 PolarHBondContact O-N 3.36Å |
| 324 | V | 86.3 | Confident | 87.5 | Confident | 87 Ų | 87 | 94.5 Ų | 94.5 | 53% | 0.527 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.8 | -43.7 | 171.2 | 168 | 0 | 0 | 0 | 0 | 111.1 | N320 H321 R326 L327 Q328 | N320-V324 WeakPolarHBondContact O-CG2 3.4Å; N320-V324 PolarHBondContact O-N 3.06Å; H321-V324 PolarHBondContact O-N 2.93Å; V324-R326 VanDerWaalsContact C-N 3.31Å; V324-R326 PolarHBondContact O-N 3.26Å; V324-L327 PolarHBondContact O-N 2.88Å; V324-Q328 WeakPolarHBondContact O-CB 3.35Å; V324-Q328 PolarHBondContact O-N 3.45Å |
| 325 | Q | 90.3 | Very high | 87.6 | Confident | 91 Ų | 91 | 97.3 Ų | 97.3 | 43% | 0.425 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.3 | -33.8 | 174.4 | -68.8 | -177.9 | 15 | 0 | 0 | 112.8 | H321 R322 E323 R329 | H321-Q325 PolarHBondContact CD2-NE2 3.43Å; H321-Q325 PolarHBondContact NE2-NE2 2.76Å; H321-Q325 WeakPolarHBondContact O-CG 3.26Å; H321-Q325 PolarHBondContact O-N 3.17Å; R322-Q325 PolarHBondContact O-N 3.27Å; E323-Q325 VanDerWaalsContact C-N 3.34Å; E323-Q325 PolarHBondContact O-N 2.76Å; Q325-R329 PolarHBondContact O-N 2.86Å; Q325-R329 PolarHBondContact O-NE 3.45Å |
| 326 | R | 90.8 | Very high | 87.7 | Confident | 95 Ų | 95 | 97.1 Ų | 97.1 | 36% | 0.358 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66.4 | -50 | 175.6 | -165.6 | -165.7 | 67 | 66.5 | 6.1 | 111 | R322 E323 V324 Q328 R329 E330 | R322-R326 PolarHBondContact O-N 3.2Å; E323-R326 VanDerWaalsContact CD-NE 3.32Å; E323-R326 WeakPolarHBondContact O-CB 3.37Å; E323-R326 PolarHBondContact O-N 2.73Å; E323-R326 VanDerWaalsContact O-N 3.12Å; E323-R326 IonicContact OE1-CZ 3.13Å; E323-R326 IonicContact OE1-NE 2.75Å; E323-R326 PolarHBondContact OE1-NE 2.84Å; E323-R326 VanDerWaalsContact OE1-NE 3.17Å; E323-R326 IonicContact OE1-NH2 2.68Å; E323-R326 PolarHBondContact OE1-NH2 3.5Å; E323-R326 WeakPolarHBondContact OE2-CD 3.39Å; E323-R326 IonicContact OE2-CZ 3.23Å; E323-R326 IonicContact OE2-NE 3.12Å; E323-R326 PolarHBondContact OE2-NE 3.44Å; E323-R326 IonicContact OE2-NH2 2.78Å; V324-R326 VanDerWaalsContact C-N 3.31Å; V324-R326 PolarHBondContact O-N 3.26Å; R326-Q328 VanDerWaalsContact C-N 3.33Å; R326-Q328 PolarHBondContact O-N 2.76Å; R326-R329 PolarHBondContact O-N 2.88Å; R326-E330 IonicContact CZ-OE2 3.16Å; R326-E330 IonicContact NH1-OE2 2.63Å; R326-E330 PolarHBondContact NH1-OE2 3.27Å; R326-E330 IonicContact NH2-OE2 3.29Å; R326-E330 PolarHBondContact O-N 3.21Å |
| 327 | L | 84.6 | Confident | 87.8 | Confident | 84 Ų | 84 | 99.4 Ų | 99.4 | 44% | 0.44 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.1 | -36.4 | 177.9 | -71.1 | 168.2 | 0 | 0 | 0 | 112.3 | E323 V324 R329 E330 K331 | E323-L327 HydrophobicContact CG-CD1 4.18Å; E323-L327 WeakPolarHBondContact O-CG 3.32Å; E323-L327 PolarHBondContact O-N 3.36Å; V324-L327 PolarHBondContact O-N 2.88Å; L327-R329 VanDerWaalsContact C-N 3.35Å; L327-E330 PolarHBondContact O-N 3.4Å; L327-K331 WeakPolarHBondContact O-CB 3.46Å; L327-K331 PolarHBondContact O-N 3.46Å |
| 328 | Q | 86.5 | Confident | 88 | Confident | 115 Ų | 115 | 100.5 Ų | 100.5 | 54% | 0.537 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.6 | -37 | 175.6 | -166.6 | 72 | -1.6 | 0 | 0 | 112 | V324 R326 E332 | V324-Q328 WeakPolarHBondContact O-CB 3.35Å; V324-Q328 PolarHBondContact O-N 3.45Å; R326-Q328 VanDerWaalsContact C-N 3.33Å; R326-Q328 PolarHBondContact O-N 2.76Å; Q328-E332 PolarHBondContact O-N 2.81Å |
| 329 | R | 89 | Confident | 88 | Confident | 144 Ų | 144 | 101.8 Ų | 101.8 | 54% | 0.543 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.8 | -43.6 | 173.2 | -80.5 | 177.9 | -90.1 | 116.8 | -6.8 | 112.2 | Q325 R326 L327 K331 E332 Q333 | Q325-R329 PolarHBondContact O-N 2.86Å; Q325-R329 PolarHBondContact O-NE 3.45Å; R326-R329 PolarHBondContact O-N 2.88Å; L327-R329 VanDerWaalsContact C-N 3.35Å; R329-K331 VanDerWaalsContact C-N 3.33Å; R329-K331 PolarHBondContact O-N 3.37Å; R329-E332 PolarHBondContact O-N 2.87Å; R329-Q333 WeakPolarHBondContact O-CG 3.3Å; R329-Q333 PolarHBondContact O-N 2.84Å |
| 330 | E | 86.4 | Confident | 88.2 | Confident | 81 Ų | 81 | 100.7 Ų | 100.7 | 38% | 0.379 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.4 | -40.5 | 175.4 | -170.2 | 177.6 | 169.1 | 0 | 0 | 111.6 | R326 L327 Q333 L334 | R326-E330 IonicContact CZ-OE2 3.16Å; R326-E330 IonicContact NH1-OE2 2.63Å; R326-E330 PolarHBondContact NH1-OE2 3.27Å; R326-E330 IonicContact NH2-OE2 3.29Å; R326-E330 PolarHBondContact O-N 3.21Å; L327-E330 PolarHBondContact O-N 3.4Å; E330-Q333 PolarHBondContact O-N 2.89Å; E330-L334 HydrophobicContact CG-CD1 4.43Å; E330-L334 WeakPolarHBondContact O-CG 3.29Å; E330-L334 PolarHBondContact O-N 2.87Å |
| 331 | K | 86.4 | Confident | 88.4 | Confident | 104 Ų | 104 | 100.4 Ų | 100.4 | 45% | 0.452 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.3 | -46.2 | 173.7 | 178.9 | 171 | -179.7 | 164 | 0 | 112.4 | L327 R329 L334 R335 E1530 | L327-K331 WeakPolarHBondContact O-CB 3.46Å; L327-K331 PolarHBondContact O-N 3.46Å; R329-K331 VanDerWaalsContact C-N 3.33Å; R329-K331 PolarHBondContact O-N 3.37Å; K331-L334 PolarHBondContact O-N 3.3Å; K331-R335 WeakPolarHBondContact O-CB 3.44Å; K331-R335 PolarHBondContact O-N 2.91Å; K331-E1530 IonicContact NZ-OE1 3.67Å |
| 332 | E | 87.3 | Confident | 88.3 | Confident | 74 Ų | 74 | 99.1 Ų | 99.1 | 35% | 0.346 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -72.8 | -32.4 | -179.4 | -160.2 | 62.2 | -161.8 | 0 | 0 | 112.1 | Q328 R329 R335 N336 | Q328-E332 PolarHBondContact O-N 2.81Å; R329-E332 PolarHBondContact O-N 2.87Å; E332-R335 VanDerWaalsContact CD-NE 3.3Å; E332-R335 PolarHBondContact O-N 3.41Å; E332-R335 IonicContact OE1-CZ 3.21Å; E332-R335 IonicContact OE1-NE 2.77Å; E332-R335 PolarHBondContact OE1-NE 3.43Å; E332-R335 IonicContact OE1-NH2 2.77Å; E332-R335 PolarHBondContact OE1-NH2 3.13Å; E332-R335 WeakPolarHBondContact OE2-CD 3.43Å; E332-R335 IonicContact OE2-NE 3.74Å; E332-R335 PolarHBondContact OE2-NE 3.45Å; E332-R335 VanDerWaalsContact OE2-NE 3.12Å; E332-N336 WeakPolarHBondContact O-CB 3.47Å; E332-N336 VanDerWaalsContact O-CG 3.27Å; E332-N336 PolarHBondContact O-N 3.31Å; E332-N336 PolarHBondContact O-ND2 3.05Å; E332-N336 VanDerWaalsContact O-ND2 3.15Å |
| 333 | Q | 90 | Very high | 88.2 | Confident | 138 Ų | 138 | 95.3 Ų | 95.3 | 65% | 0.645 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -60.4 | -49.2 | 170.1 | -75.7 | 177.2 | -30.2 | 0 | 0 | 111.7 | R329 E330 R335 N336 E337 | R329-Q333 WeakPolarHBondContact O-CG 3.3Å; R329-Q333 PolarHBondContact O-N 2.84Å; E330-Q333 PolarHBondContact O-N 2.89Å; Q333-R335 VanDerWaalsContact C-N 3.31Å; Q333-R335 PolarHBondContact O-N 3.12Å; Q333-N336 PolarHBondContact O-N 3.14Å; Q333-E337 PolarHBondContact O-N 3.49Å |
| 334 | L | 90.4 | Very high | 88.2 | Confident | 101 Ų | 101 | 100.2 Ų | 100.2 | 53% | 0.529 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.8 | -35.2 | 176.8 | -69.9 | 170.9 | 0 | 0 | 0 | 112.6 | E330 K331 L338 | E330-L334 HydrophobicContact CG-CD1 4.43Å; E330-L334 WeakPolarHBondContact O-CG 3.29Å; E330-L334 PolarHBondContact O-N 2.87Å; K331-L334 PolarHBondContact O-N 3.3Å; L334-L338 WeakPolarHBondContact O-CB 3.36Å; L334-L338 PolarHBondContact O-N 2.99Å |
| 335 | R | 87.6 | Confident | 88.3 | Confident | 142 Ų | 142 | 102.5 Ų | 102.5 | 54% | 0.536 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.4 | -42.2 | 174.5 | -173.9 | 173.1 | 114 | 91.9 | 5.6 | 112 | K331 E332 Q333 T339 | K331-R335 WeakPolarHBondContact O-CB 3.44Å; K331-R335 PolarHBondContact O-N 2.91Å; E332-R335 VanDerWaalsContact CD-NE 3.3Å; E332-R335 PolarHBondContact O-N 3.41Å; E332-R335 IonicContact OE1-CZ 3.21Å; E332-R335 IonicContact OE1-NE 2.77Å; E332-R335 PolarHBondContact OE1-NE 3.43Å; E332-R335 IonicContact OE1-NH2 2.77Å; E332-R335 PolarHBondContact OE1-NH2 3.13Å; E332-R335 WeakPolarHBondContact OE2-CD 3.43Å; E332-R335 IonicContact OE2-NE 3.74Å; E332-R335 PolarHBondContact OE2-NE 3.45Å; E332-R335 VanDerWaalsContact OE2-NE 3.12Å; Q333-R335 VanDerWaalsContact C-N 3.31Å; Q333-R335 PolarHBondContact O-N 3.12Å; R335-T339 WeakPolarHBondContact O-CB 3.41Å; R335-T339 PolarHBondContact O-N 3.38Å; R335-T339 PolarHBondContact O-OG1 2.89Å |
| 336 | N | 88.8 | Confident | 88.3 | Confident | 78 Ų | 78 | 102.4 Ų | 102.4 | 42% | 0.417 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -69.7 | -40.1 | 177.1 | -72.2 | -31.2 | 0 | 0 | 0 | 112.1 | E332 Q333 T339 N340 | E332-N336 WeakPolarHBondContact O-CB 3.47Å; E332-N336 VanDerWaalsContact O-CG 3.27Å; E332-N336 PolarHBondContact O-N 3.31Å; E332-N336 PolarHBondContact O-ND2 3.05Å; E332-N336 VanDerWaalsContact O-ND2 3.15Å; Q333-N336 PolarHBondContact O-N 3.14Å; N336-T339 WeakPolarHBondContact O-CB 3.44Å; N336-T339 PolarHBondContact O-N 3.31Å; N336-N340 PolarHBondContact O-N 2.89Å; N336-N340 PolarHBondContact O-ND2 3.36Å |
| 337 | E | 91.3 | Very high | 88.2 | Confident | 88 Ų | 88 | 102.6 Ų | 102.6 | 41% | 0.411 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63 | -44.6 | 174.3 | -179.6 | 52.8 | -150.8 | 0 | 0 | 111.8 | Q333 T339 N340 Q341 | Q333-E337 PolarHBondContact O-N 3.49Å; E337-T339 VanDerWaalsContact C-N 3.3Å; E337-T339 PolarHBondContact O-N 3.45Å; E337-N340 PolarHBondContact O-N 2.93Å; E337-Q341 WeakPolarHBondContact O-CG 3.35Å; E337-Q341 PolarHBondContact O-N 2.97Å; E337-Q341 PolarHBondContact OE1-NE2 3.38Å |
| 338 | L | 87.5 | Confident | 88.5 | Confident | 110 Ų | 110 | 106.4 Ų | 106.4 | 58% | 0.576 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60 | -40.3 | 173 | -179.6 | 62.8 | 0 | 0 | 0 | 111.9 | L334 Q341 V342 | L334-L338 WeakPolarHBondContact O-CB 3.36Å; L334-L338 PolarHBondContact O-N 2.99Å; L338-Q341 PolarHBondContact O-N 3.39Å; L338-V342 WeakPolarHBondContact O-CG2 3.44Å; L338-V342 PolarHBondContact O-N 2.98Å |
| 339 | T | 86.5 | Confident | 88.7 | Confident | 80 Ų | 80 | 104.3 Ų | 104.3 | 49% | 0.491 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.3 | -42.2 | 176.9 | -56.1 | 0 | 0 | 0 | 0 | 111.5 | R335 N336 E337 V342 S343 | R335-T339 WeakPolarHBondContact O-CB 3.41Å; R335-T339 PolarHBondContact O-N 3.38Å; R335-T339 PolarHBondContact O-OG1 2.89Å; N336-T339 WeakPolarHBondContact O-CB 3.44Å; N336-T339 PolarHBondContact O-N 3.31Å; E337-T339 VanDerWaalsContact C-N 3.3Å; E337-T339 PolarHBondContact O-N 3.45Å; T339-V342 PolarHBondContact O-N 2.9Å; T339-S343 PolarHBondContact O-N 2.94Å |
| 340 | N | 90 | Very high | 88.8 | Confident | 87 Ų | 87 | 101.4 Ų | 101.4 | 47% | 0.465 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.6 | -41 | 175.4 | -73.7 | -27.3 | 0 | 0 | 0 | 112.3 | N336 E337 S343 R344 | N336-N340 PolarHBondContact O-N 2.89Å; N336-N340 PolarHBondContact O-ND2 3.36Å; E337-N340 PolarHBondContact O-N 2.93Å; N340-S343 PolarHBondContact O-N 3.34Å; N340-R344 WeakPolarHBondContact O-CG 3.48Å; N340-R344 PolarHBondContact O-N 3.43Å |
| 341 | Q | 90.8 | Very high | 89 | Confident | 81 Ų | 81 | 103.3 Ų | 103.3 | 38% | 0.379 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.4 | -43.6 | 175.4 | -70.2 | -175.6 | 26.2 | 0 | 0 | 111.6 | E337 L338 S343 R344 Y345 | E337-Q341 WeakPolarHBondContact O-CG 3.35Å; E337-Q341 PolarHBondContact O-N 2.97Å; E337-Q341 PolarHBondContact OE1-NE2 3.38Å; L338-Q341 PolarHBondContact O-N 3.39Å; Q341-S343 VanDerWaalsContact C-N 3.32Å; Q341-S343 PolarHBondContact O-N 3.29Å; Q341-R344 PolarHBondContact O-N 2.91Å; Q341-Y345 HydrophobicContact CB-CE2 4.32Å; Q341-Y345 WeakPolarHBondContact O-CD2 3.43Å; Q341-Y345 PolarHBondContact O-N 2.91Å |
| 342 | V | 87.9 | Confident | 89.3 | Confident | 82 Ų | 82 | 102.5 Ų | 102.5 | 50% | 0.497 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.7 | -42.3 | 174.3 | 169.7 | 0 | 0 | 0 | 0 | 111.4 | L338 T339 Y345 E346 | L338-V342 WeakPolarHBondContact O-CG2 3.44Å; L338-V342 PolarHBondContact O-N 2.98Å; T339-V342 PolarHBondContact O-N 2.9Å; V342-Y345 PolarHBondContact O-N 3.09Å; V342-E346 PolarHBondContact O-N 3.47Å |
| 343 | S | 85.5 | Confident | 89.3 | Confident | 60 Ų | 60 | 103.2 Ų | 103.2 | 42% | 0.42 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.6 | -50.5 | 174.1 | -166.9 | 0 | 0 | 0 | 0 | 111.6 | T339 N340 Q341 Y345 E346 D347 | T339-S343 PolarHBondContact O-N 2.94Å; N340-S343 PolarHBondContact O-N 3.34Å; Q341-S343 VanDerWaalsContact C-N 3.32Å; Q341-S343 PolarHBondContact O-N 3.29Å; S343-Y345 PolarHBondContact O-N 2.88Å; S343-E346 PolarHBondContact O-N 3.1Å; S343-D347 PolarHBondContact O-N 3.42Å; S343-D347 VanDerWaalsContact O-OD2 3.09Å |
| 344 | R | 88.7 | Confident | 89.2 | Confident | 183 Ų | 183 | 100.6 Ų | 100.6 | 69% | 0.691 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.5 | -33.8 | 178.6 | -69.7 | 175.9 | -177.2 | -169.6 | 3.2 | 113 | N340 Q341 R348 | N340-R344 WeakPolarHBondContact O-CG 3.48Å; N340-R344 PolarHBondContact O-N 3.43Å; Q341-R344 PolarHBondContact O-N 2.91Å; R344-R348 WeakPolarHBondContact O-CB 3.27Å; R344-R348 PolarHBondContact O-N 2.9Å; R344-R348 VanDerWaalsContact O-N 3.08Å |
| 345 | Y | 88.8 | Confident | 89.3 | Confident | 135 Ų | 135 | 99.1 Ų | 99.1 | 53% | 0.529 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -74.2 | -35.9 | 173.7 | -71.1 | -59 | 0 | 0 | 0 | 112.7 | Q341 V342 S343 L349 | Q341-Y345 HydrophobicContact CB-CE2 4.32Å; Q341-Y345 WeakPolarHBondContact O-CD2 3.43Å; Q341-Y345 PolarHBondContact O-N 2.91Å; V342-Y345 PolarHBondContact O-N 3.09Å; S343-Y345 PolarHBondContact O-N 2.88Å; Y345-L349 WeakPolarHBondContact O-CB 3.06Å; Y345-L349 PolarHBondContact O-N 3.18Å |
| 346 | E | 90 | Very high | 89.2 | Confident | 88 Ų | 88 | 96.1 Ų | 96.1 | 41% | 0.411 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.9 | -38.3 | 173.1 | -177.5 | 154 | -148 | 0 | 0 | 111.9 | V342 S343 L349 T350 K1395 | V342-E346 PolarHBondContact O-N 3.47Å; S343-E346 PolarHBondContact O-N 3.1Å; E346-L349 PolarHBondContact O-N 3.44Å; E346-T350 WeakPolarHBondContact O-CB 3.43Å; E346-T350 PolarHBondContact O-N 3.25Å; E346-T350 PolarHBondContact O-OG1 2.95Å; E346-K1395 VanDerWaalsContact CD-NZ 3.33Å; E346-K1395 IonicContact OE1-NZ 2.71Å; E346-K1395 PolarHBondContact OE1-NZ 3.41Å; E346-K1395 IonicContact OE2-NZ 3.35Å; E346-K1395 PolarHBondContact OE2-NZ 3.3Å |
| 347 | D | 88.3 | Confident | 89.1 | Confident | 100 Ų | 100 | 94.8 Ų | 94.8 | 54% | 0.535 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.3 | -52.8 | 172.7 | -69.9 | -45 | 0 | 0 | 0 | 111.1 | S343 L349 T350 E351 | S343-D347 PolarHBondContact O-N 3.42Å; S343-D347 VanDerWaalsContact O-OD2 3.09Å; D347-L349 VanDerWaalsContact C-N 3.32Å; D347-L349 PolarHBondContact O-N 2.99Å; D347-T350 WeakPolarHBondContact O-CA 3.32Å; D347-T350 WeakPolarHBondContact O-CB 3.3Å; D347-T350 PolarHBondContact O-N 3.47Å; D347-E351 PolarHBondContact O-N 3.49Å |
| 348 | R | 90.2 | Very high | 88.9 | Confident | 164 Ų | 164 | 93.3 Ų | 93.3 | 62% | 0.619 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -67.8 | -30.8 | 179.3 | -167 | 170.5 | -176.9 | -173.7 | -3.1 | 112.7 | R344 T350 L352 | R344-R348 WeakPolarHBondContact O-CB 3.27Å; R344-R348 PolarHBondContact O-N 2.9Å; R344-R348 VanDerWaalsContact O-N 3.08Å; R348-T350 VanDerWaalsContact C-N 3.33Å; R348-L352 WeakPolarHBondContact O-CB 3.45Å; R348-L352 VanDerWaalsContact O-CG 3.28Å; R348-L352 WeakPolarHBondContact O-CG 3.38Å; R348-L352 PolarHBondContact O-N 3.03Å |
| 349 | L | 91.2 | Very high | 88.9 | Confident | 70 Ų | 70 | 93.1 Ų | 93.1 | 37% | 0.366 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.4 | -35.3 | 170.8 | -176.9 | 61.7 | 0 | 0 | 0 | 111.4 | Y345 E346 D347 H353 I1399 | Y345-L349 WeakPolarHBondContact O-CB 3.06Å; Y345-L349 PolarHBondContact O-N 3.18Å; E346-L349 PolarHBondContact O-N 3.44Å; D347-L349 VanDerWaalsContact C-N 3.32Å; D347-L349 PolarHBondContact O-N 2.99Å; L349-H353 PolarHBondContact O-N 3.04Å; L349-H353 PolarHBondContact O-ND1 3.12Å; L349-I1399 HydrophobicContact CD2-CD1 4.46Å |
| 350 | T | 90.4 | Very high | 88.7 | Confident | 84 Ų | 84 | 97 Ų | 97 | 52% | 0.515 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -71.9 | -40.8 | 176.3 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | E346 D347 R348 H353 S354 | E346-T350 WeakPolarHBondContact O-CB 3.43Å; E346-T350 PolarHBondContact O-N 3.25Å; E346-T350 PolarHBondContact O-OG1 2.95Å; D347-T350 WeakPolarHBondContact O-CA 3.32Å; D347-T350 WeakPolarHBondContact O-CB 3.3Å; D347-T350 PolarHBondContact O-N 3.47Å; R348-T350 VanDerWaalsContact C-N 3.33Å; T350-H353 PolarHBondContact O-N 3.14Å; T350-S354 PolarHBondContact O-N 3.03Å |
| 351 | E | 91.5 | Very high | 88.4 | Confident | 120 Ų | 120 | 98.1 Ų | 98.1 | 56% | 0.561 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -55.8 | -51 | 169.2 | -175.2 | -172.5 | -167.4 | 0 | 0 | 110.9 | D347 H353 S354 V355 | D347-E351 PolarHBondContact O-N 3.49Å; E351-H353 VanDerWaalsContact C-N 3.34Å; E351-H353 PolarHBondContact O-N 2.96Å; E351-S354 WeakPolarHBondContact O-CA 3.49Å; E351-S354 WeakPolarHBondContact O-CB 3.26Å; E351-S354 PolarHBondContact O-N 3.38Å; E351-V355 WeakPolarHBondContact O-CG2 3.35Å; E351-V355 PolarHBondContact O-N 2.88Å |
| 352 | L | 92.6 | Very high | 88.1 | Confident | 88 Ų | 88 | 101.5 Ų | 101.5 | 46% | 0.461 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.7 | -39.1 | 177.8 | -75.9 | 169.7 | 0 | 0 | 0 | 112.8 | R348 S354 V355 I356 | R348-L352 WeakPolarHBondContact O-CB 3.45Å; R348-L352 VanDerWaalsContact O-CG 3.28Å; R348-L352 WeakPolarHBondContact O-CG 3.38Å; R348-L352 PolarHBondContact O-N 3.03Å; L352-S354 VanDerWaalsContact C-N 3.32Å; L352-S354 PolarHBondContact O-N 3.47Å; L352-V355 PolarHBondContact O-N 3.26Å; L352-I356 WeakPolarHBondContact O-CB 3.39Å; L352-I356 WeakPolarHBondContact O-CD1 3.49Å; L352-I356 WeakPolarHBondContact O-CG1 3.5Å; L352-I356 PolarHBondContact O-N 3.5Å |
| 353 | H | 87.4 | Confident | 87.6 | Confident | 89 Ų | 89 | 103.1 Ų | 103.1 | 41% | 0.412 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.4 | -38.2 | 173 | -80.5 | 97.5 | 0 | 0 | 0 | 112.3 | L349 T350 E351 I356 A357 | L349-H353 PolarHBondContact O-N 3.04Å; L349-H353 PolarHBondContact O-ND1 3.12Å; T350-H353 PolarHBondContact O-N 3.14Å; E351-H353 VanDerWaalsContact C-N 3.34Å; E351-H353 PolarHBondContact O-N 2.96Å; H353-I356 PolarHBondContact O-N 2.84Å; H353-A357 WeakPolarHBondContact O-CB 3.39Å; H353-A357 PolarHBondContact O-N 3.01Å |
| 354 | S | 88.2 | Confident | 87.1 | Confident | 83 Ų | 83 | 103.9 Ų | 103.9 | 58% | 0.58 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65 | -45.1 | 174.9 | -159.7 | 0 | 0 | 0 | 0 | 111.8 | T350 E351 L352 I356 A357 E358 | T350-S354 PolarHBondContact O-N 3.03Å; E351-S354 WeakPolarHBondContact O-CA 3.49Å; E351-S354 WeakPolarHBondContact O-CB 3.26Å; E351-S354 PolarHBondContact O-N 3.38Å; L352-S354 VanDerWaalsContact C-N 3.32Å; L352-S354 PolarHBondContact O-N 3.47Å; S354-I356 PolarHBondContact O-N 3.11Å; S354-A357 PolarHBondContact O-N 3.48Å; S354-E358 WeakPolarHBondContact O-CB 3.42Å; S354-E358 PolarHBondContact O-N 3.3Å |
| 355 | V | 91.5 | Very high | 86.1 | Confident | 69 Ų | 69 | 100.3 Ų | 100.3 | 42% | 0.418 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 174.5 | 173.1 | 0 | 0 | 0 | 0 | 111.5 | E351 L352 E358 L359 | E351-V355 WeakPolarHBondContact O-CG2 3.35Å; E351-V355 PolarHBondContact O-N 2.88Å; L352-V355 PolarHBondContact O-N 3.26Å; V355-E358 PolarHBondContact O-N 3.22Å; V355-L359 HydrophobicContact CG1-CD1 3.87Å; V355-L359 HydrophobicContact CG1-CG 4.29Å; V355-L359 WeakPolarHBondContact O-CB 3.44Å; V355-L359 VanDerWaalsContact O-CG 3.27Å; V355-L359 WeakPolarHBondContact O-CG 3.39Å; V355-L359 PolarHBondContact O-N 2.87Å |
| 356 | I | 87 | Confident | 84.9 | Confident | 79 Ų | 79 | 98.1 Ų | 98.1 | 41% | 0.405 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.4 | -40 | 176.3 | -71.5 | 163.4 | 0 | 0 | 0 | 111.3 | L352 H353 S354 R360 | L352-I356 WeakPolarHBondContact O-CB 3.39Å; L352-I356 WeakPolarHBondContact O-CD1 3.49Å; L352-I356 WeakPolarHBondContact O-CG1 3.5Å; L352-I356 PolarHBondContact O-N 3.5Å; H353-I356 PolarHBondContact O-N 2.84Å; S354-I356 PolarHBondContact O-N 3.11Å; I356-R360 VanDerWaalsContact O-CG 3.3Å; I356-R360 WeakPolarHBondContact O-CG 3.45Å; I356-R360 PolarHBondContact O-N 3.22Å |
| 357 | A | 86.9 | Confident | 83.3 | Confident | 51 Ų | 51 | 98.9 Ų | 98.9 | 42% | 0.421 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65 | -43.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | H353 S354 R360 R361 | H353-A357 WeakPolarHBondContact O-CB 3.39Å; H353-A357 PolarHBondContact O-N 3.01Å; S354-A357 PolarHBondContact O-N 3.48Å; A357-R360 PolarHBondContact O-N 3.44Å; A357-R361 PolarHBondContact O-N 2.85Å |
| 358 | E | 86.4 | Confident | 81.8 | Confident | 57 Ų | 57 | 99.1 Ų | 99.1 | 27% | 0.266 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67 | -38.7 | 177.1 | 178.4 | 59.2 | -167.6 | 0 | 0 | 112.6 | S354 V355 R361 R362 | S354-E358 WeakPolarHBondContact O-CB 3.42Å; S354-E358 PolarHBondContact O-N 3.3Å; V355-E358 PolarHBondContact O-N 3.22Å; E358-R361 WeakPolarHBondContact O-CB 3.39Å; E358-R361 PolarHBondContact O-N 2.89Å; E358-R361 IonicContact OE2-CZ 3.23Å; E358-R361 VanDerWaalsContact OE2-CZ 3.23Å; E358-R361 IonicContact OE2-NE 2.82Å; E358-R361 PolarHBondContact OE2-NE 3.38Å; E358-R361 IonicContact OE2-NH2 2.75Å; E358-R361 PolarHBondContact OE2-NH2 2.93Å; E358-R362 WeakPolarHBondContact O-CG 3.5Å; E358-R362 PolarHBondContact O-N 3.47Å; E358-R362 IonicContact OE1-CZ 3.38Å; E358-R362 IonicContact OE1-NE 2.81Å; E358-R362 PolarHBondContact OE1-NE 2.91Å; E358-R362 IonicContact OE1-NH2 3.21Å; E358-R362 PolarHBondContact OE1-NH2 2.97Å |
| 359 | L | 86.2 | Confident | 79.8 | Confident | 105 Ų | 105 | 97.5 Ų | 97.5 | 55% | 0.55 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.5 | -37.3 | 174.5 | -73.7 | 173.2 | 0 | 0 | 0 | 112.6 | V355 R362 L363 | V355-L359 HydrophobicContact CG1-CD1 3.87Å; V355-L359 HydrophobicContact CG1-CG 4.29Å; V355-L359 WeakPolarHBondContact O-CB 3.44Å; V355-L359 VanDerWaalsContact O-CG 3.27Å; V355-L359 WeakPolarHBondContact O-CG 3.39Å; V355-L359 PolarHBondContact O-N 2.87Å; L359-R362 PolarHBondContact O-N 2.6Å; L359-L363 PolarHBondContact O-N 2.91Å |
| 360 | R | 83.3 | Confident | 77.7 | Confident | 162 Ų | 162 | 100.9 Ų | 100.9 | 61% | 0.611 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.3 | -49.6 | 172.2 | -74 | 172.2 | -174.9 | -138.6 | 5.9 | 111.3 | I356 A357 R362 L363 E364 | I356-R360 VanDerWaalsContact O-CG 3.3Å; I356-R360 WeakPolarHBondContact O-CG 3.45Å; I356-R360 PolarHBondContact O-N 3.22Å; A357-R360 PolarHBondContact O-N 3.44Å; R360-R362 PolarHBondContact O-N 3.14Å; R360-L363 WeakPolarHBondContact O-CB 3.33Å; R360-L363 PolarHBondContact O-N 3.21Å; R360-E364 WeakPolarHBondContact O-CG 3.15Å; R360-E364 PolarHBondContact O-N 3.15Å |
| 361 | R | 83.7 | Confident | 75.2 | Confident | 111 Ų | 111 | 104.2 Ų | 104.2 | 42% | 0.419 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -52.2 | -45 | 176.5 | -153.8 | -154.8 | -39.7 | -82.7 | -1 | 111.3 | A357 E358 H365 | A357-R361 PolarHBondContact O-N 2.85Å; E358-R361 WeakPolarHBondContact O-CB 3.39Å; E358-R361 PolarHBondContact O-N 2.89Å; E358-R361 IonicContact OE2-CZ 3.23Å; E358-R361 VanDerWaalsContact OE2-CZ 3.23Å; E358-R361 IonicContact OE2-NE 2.82Å; E358-R361 PolarHBondContact OE2-NE 3.38Å; E358-R361 IonicContact OE2-NH2 2.75Å; E358-R361 PolarHBondContact OE2-NH2 2.93Å; R361-H365 PolarHBondContact O-N 3.29Å; R361-H365 VanDerWaalsContact O-N 3.12Å; R361-H365 PolarHBondContact O-ND1 2.99Å |
| 362 | R | 83.9 | Confident | 72.6 | Confident | 151 Ų | 151 | 106.4 Ų | 106.4 | 57% | 0.57 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.8 | -38.5 | 177.6 | -70.8 | 176.2 | -169.6 | -157.4 | 2.4 | 113.4 | E358 L359 R360 H365 T366 | E358-R362 WeakPolarHBondContact O-CG 3.5Å; E358-R362 PolarHBondContact O-N 3.47Å; E358-R362 IonicContact OE1-CZ 3.38Å; E358-R362 IonicContact OE1-NE 2.81Å; E358-R362 PolarHBondContact OE1-NE 2.91Å; E358-R362 IonicContact OE1-NH2 3.21Å; E358-R362 PolarHBondContact OE1-NH2 2.97Å; L359-R362 PolarHBondContact O-N 2.6Å; R360-R362 PolarHBondContact O-N 3.14Å; R362-H365 PolarHBondContact O-N 3.5Å; R362-T366 PolarHBondContact O-N 2.91Å; R362-T366 PolarHBondContact O-OG1 2.88Å |
| 363 | L | 78.1 | Confident | 70 | Confident | 116 Ų | 116 | 110.8 Ų | 110.8 | 61% | 0.607 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -59.4 | -48.1 | 175.6 | -166.9 | 86.2 | 0 | 0 | 0 | 110.7 | L359 R360 H365 T366 E367 | L359-L363 PolarHBondContact O-N 2.91Å; R360-L363 WeakPolarHBondContact O-CB 3.33Å; R360-L363 PolarHBondContact O-N 3.21Å; L363-H365 VanDerWaalsContact C-N 3.32Å; L363-H365 PolarHBondContact O-N 3.28Å; L363-T366 WeakPolarHBondContact CA-OG1 3.18Å; L363-T366 PolarHBondContact O-N 3.3Å; L363-T366 PolarHBondContact O-OG1 3.43Å; L363-E367 PolarHBondContact O-N 3.36Å |
| 364 | E | 75.4 | Confident | 67.5 | Low | 77 Ų | 77 | 112.7 Ų | 112.7 | 36% | 0.36 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.2 | -37.4 | 178.9 | -61.6 | 151.8 | -169.7 | 0 | 0 | 111.6 | R360 T366 E367 S368 N400 | R360-E364 WeakPolarHBondContact O-CG 3.15Å; R360-E364 PolarHBondContact O-N 3.15Å; E364-T366 VanDerWaalsContact C-N 3.32Å; E364-T366 PolarHBondContact O-N 2.98Å; E364-E367 PolarHBondContact O-N 2.88Å; E364-S368 PolarHBondContact O-N 2.8Å; E364-N400 WeakPolarHBondContact CB-ND2 3.38Å; E364-N400 PolarHBondContact OE2-ND2 3.37Å |
| 365 | H | 67.1 | Low | 65.2 | Low | 108 Ų | 108 | 117.5 Ų | 117.5 | 50% | 0.5 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.7 | -28.2 | 172.5 | -76.7 | 62.9 | 0 | 0 | 0 | 113.1 | R361 R362 L363 N369 | R361-H365 PolarHBondContact O-N 3.29Å; R361-H365 VanDerWaalsContact O-N 3.12Å; R361-H365 PolarHBondContact O-ND1 2.99Å; R362-H365 PolarHBondContact O-N 3.5Å; L363-H365 VanDerWaalsContact C-N 3.32Å; L363-H365 PolarHBondContact O-N 3.28Å; H365-N369 PolarHBondContact O-ND2 3.46Å |
| 366 | T | 62.9 | Low | 62.4 | Low | 88 Ų | 88 | 122.3 Ų | 122.3 | 54% | 0.54 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -78.2 | -30.9 | 172.3 | 50.5 | 0 | 0 | 0 | 0 | 113.1 | R362 L363 E364 N369 | R362-T366 PolarHBondContact O-N 2.91Å; R362-T366 PolarHBondContact O-OG1 2.88Å; L363-T366 WeakPolarHBondContact CA-OG1 3.18Å; L363-T366 PolarHBondContact O-N 3.3Å; L363-T366 PolarHBondContact O-OG1 3.43Å; E364-T366 VanDerWaalsContact C-N 3.32Å; E364-T366 PolarHBondContact O-N 2.98Å; T366-N369 PolarHBondContact O-N 3.45Å |
| 367 | E | 56.6 | Low | 60.1 | Low | 104 Ų | 104 | 127.6 Ų | 127.6 | 49% | 0.486 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -68.7 | -38.2 | 174.1 | -168.4 | 164.7 | -170.1 | 0 | 0 | 111.2 | L363 E364 N369 | L363-E367 PolarHBondContact O-N 3.36Å; E364-E367 PolarHBondContact O-N 2.88Å; E367-N369 PolarHBondContact O-N 2.94Å |
| 368 | S | 56.4 | Low | 57.8 | Low | 106 Ų | 106 | 133.7 Ų | 133.7 | 74% | 0.741 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -4.2 | 175.5 | -169.1 | 0 | 0 | 0 | 0 | 115.4 | E364 | E364-S368 PolarHBondContact O-N 2.8Š|
| 369 | N | 49.6 | Very low | 55.2 | Low | 130 Ų | 130 | 139.3 Ų | 139.3 | 70% | 0.695 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.6 | 9.4 | -178.8 | -86.5 | -53.9 | 0 | 0 | 0 | 113.7 | H365 T366 E367 I371 | H365-N369 PolarHBondContact O-ND2 3.46Å; T366-N369 PolarHBondContact O-N 3.45Å; E367-N369 PolarHBondContact O-N 2.94Å; N369-I371 PolarHBondContact O-N 3.3Å |
| 370 | I | 45.8 | Very low | 53 | Low | 140 Ų | 140 | 141.9 Ų | 141.9 | 72% | 0.718 | 69% | 0.687 | S | S | * | * | trans | -90.1 | 89.2 | 174.7 | -55.4 | 177.8 | 0 | 0 | 0 | 108.7 | ||||
| 371 | I | 39 | Very low | 50.6 | Low | 155 Ų | 155 | 141.3 Ų | 141.3 | 80% | 0.795 | 70% | 0.696 | S | S | * | * | trans | -69 | 130.9 | 170.3 | -60.9 | 176.2 | 0 | 0 | 0 | 108.2 | N369 E373 | N369-I371 PolarHBondContact O-N 3.3Å; I371-E373 PolarHBondContact O-N 3.02Å | ||
| 372 | H | 35.8 | Very low | 48.5 | Very low | 165 Ų | 165 | 139.6 Ų | 139.6 | 76% | 0.764 | 71% | 0.713 | S | S | * | * | trans | -83.9 | 113.8 | 178.4 | -157.6 | -54.3 | 0 | 0 | 0 | 109.3 | ||||
| 373 | E | 39.3 | Very low | 46.3 | Very low | 180 Ų | 180 | 140 Ų | 140 | 84% | 0.841 | 73% | 0.727 | S | S | * | * | trans | -68.8 | 148.6 | 171.6 | -67.4 | 177.8 | 175.5 | 0 | 0 | 110 | I371 | I371-E373 PolarHBondContact O-N 3.02Š| ||
| 374 | V | 35.2 | Very low | 44.6 | Very low | 130 Ų | 130 | 142.5 Ų | 142.5 | 79% | 0.788 | 74% | 0.74 | S | S | * | * | trans | -112.1 | 139.8 | -174.4 | 179.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 375 | E | 38.8 | Very low | 42.8 | Very low | 184 Ų | 184 | 142 Ų | 142 | 86% | 0.86 | 76% | 0.755 | S | S | * | * | trans | -127.2 | 127.3 | 175 | -167.3 | 168.4 | -136.5 | 0 | 0 | 107.9 | ||||
| 376 | E | 32.1 | Very low | 41.3 | Very low | 169 Ų | 169 | 144.5 Ų | 144.5 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | -136.7 | 130.6 | -156.6 | 177.1 | 177.3 | -117.1 | 0 | 0 | 109.7 | ||||
| 377 | F | 38.5 | Very low | 40.1 | Very low | 191 Ų | 191 | 147.6 Ų | 147.6 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | trans | -150.2 | 142.8 | 173.8 | -81.1 | -71.1 | 0 | 0 | 0 | 111.7 | ||||
| 378 | E | 39.5 | Very low | 39.1 | Very low | 179 Ų | 179 | 150.1 Ų | 150.1 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | trans | -66.1 | 133.4 | -168.5 | -65.3 | 153.5 | 158.8 | 0 | 0 | 113 | ||||
| 379 | E | 32.5 | Very low | 38 | Very low | 174 Ų | 174 | 151.2 Ų | 151.2 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | 82.1 | 125 | 71.5 | -166.2 | -179.4 | -115.1 | 0 | 0 | 114.3 | |||||
| 380 | N | 38.3 | Very low | 37.2 | Very low | 160 Ų | 160 | 152.4 Ų | 152.4 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | trans | -168.7 | 130 | 162 | -150.3 | 7.8 | 0 | 0 | 0 | 110.6 | ||||
| 381 | D | 34.3 | Very low | 36.8 | Very low | 149 Ų | 149 | 150.7 Ų | 150.7 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | -81.3 | 160.6 | -165.7 | -52.3 | -80.6 | 0 | 0 | 0 | 116.6 | ||||
| 382 | G | 39.9 | Very low | 36.5 | Very low | 75 Ų | 75 | 152.5 Ų | 152.5 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | 177.8 | 53.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 383 | D | 37.5 | Very low | 36.1 | Very low | 161 Ų | 161 | 154.2 Ų | 154.2 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | trans | 52.5 | 91 | 142.7 | -152.9 | 30 | 0 | 0 | 0 | 120.7 | ||||
| 384 | D | 41.2 | Very low | 35.9 | Very low | 167 Ų | 167 | 151.6 Ų | 151.6 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | trans | -177.2 | 127.8 | 139.9 | -104.5 | -26.5 | 0 | 0 | 0 | 109.8 | ||||
| 385 | G | 37.6 | Very low | 35.7 | Very low | 66 Ų | 66 | 154.4 Ų | 154.4 | 68% | 0.68 | 81% | 0.81 | S | S | * | * | trans | -95.5 | 167.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 386 | D | 35.5 | Very low | 35.2 | Very low | 161 Ų | 161 | 152 Ų | 152 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | S | Bend | cis | -138.5 | 169.3 | 9.7 | -63.4 | -53.3 | 0 | 0 | 0 | 111.5 | ||
| 387 | D | 38.3 | Very low | 34.9 | Very low | 154 Ų | 154 | 149.3 Ų | 149.3 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | S | Bend | trans | 69.7 | 68.9 | 167.2 | -64.6 | -12.9 | 0 | 0 | 0 | 120 | ||
| 388 | D | 36 | Very low | 34.5 | Very low | 157 Ų | 157 | 147.7 Ų | 147.7 | 84% | 0.84 | 80% | 0.801 | S | S | * | * | trans | 48.4 | 80.9 | 132.1 | -63.8 | -0.7 | 0 | 0 | 0 | 121.9 | ||||
| 389 | D | 32.1 | Very low | 33.9 | Very low | 129 Ų | 129 | 147.7 Ų | 147.7 | 69% | 0.69 | 81% | 0.806 | S | S | * | * | 35.5 | 123.2 | 112 | -144.5 | 12.2 | 0 | 0 | 0 | 122.2 | |||||
| 390 | M | 33.8 | Very low | 33.6 | Very low | 155 Ų | 155 | 143.5 Ų | 143.5 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | 176.1 | 154.2 | 106 | -111.8 | -68.6 | 134.5 | 0 | 0 | 114.8 | |||||
| 391 | V | 36.9 | Very low | 33.2 | Very low | 104 Ų | 104 | 141.2 Ų | 141.2 | 63% | 0.63 | 78% | 0.781 | S | S | * | * | trans | -135.9 | 123 | -174.3 | 170.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 392 | K | 33.8 | Very low | 33.1 | Very low | 193 Ų | 193 | 142.8 Ų | 142.8 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | trans | 82.2 | 152.4 | 167.3 | -65.1 | 156 | -173.1 | 163.6 | 0 | 118.8 | ||||
| 393 | K | 27.4 | Very low | 32.5 | Very low | 201 Ų | 201 | 144.9 Ų | 144.9 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | trans | 66.7 | 100.8 | 170.3 | -65.3 | -179.3 | 179.1 | 175.8 | 0 | 117.2 | ||||
| 394 | S | 34.7 | Very low | 32 | Very low | 124 Ų | 124 | 142.1 Ų | 142.1 | 87% | 0.867 | 77% | 0.768 | S | S | * | * | -158.1 | 139.1 | 121.9 | -89.4 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 395 | K | 30.9 | Very low | 31.5 | Very low | 189 Ų | 189 | 139.3 Ų | 139.3 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | trans | -90.2 | 153.4 | 172.3 | -97.3 | -179 | 174.6 | -179.1 | 0 | 109.4 | ||||
| 396 | L | 27.4 | Very low | 31 | Very low | 134 Ų | 134 | 142.6 Ų | 142.6 | 70% | 0.702 | 76% | 0.759 | S | S | * | * | trans | 63.5 | 67.2 | 149.1 | -63 | 166.2 | 0 | 0 | 0 | 118.5 | ||||
| 397 | S | 26.1 | Very low | 31 | Very low | 112 Ų | 112 | 141.9 Ų | 141.9 | 78% | 0.783 | 75% | 0.754 | S | S | * | * | -148.6 | 147.6 | 127.7 | 63.9 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 398 | L | 30 | Very low | 30.5 | Very low | 158 Ų | 158 | 140.1 Ų | 140.1 | 83% | 0.827 | 75% | 0.745 | S | S | * | * | cis | -136.8 | 139.8 | 19.1 | -69.6 | 149.8 | 0 | 0 | 0 | 110.8 | ||||
| 399 | L | 28.1 | Very low | 30.2 | Very low | 178 Ų | 178 | 140.2 Ų | 140.2 | 93% | 0.932 | 74% | 0.739 | S | S | * | * | trans | -164.2 | 66.1 | 138.8 | -143.4 | 79.4 | 0 | 0 | 0 | 113.8 | ||||
| 400 | N | 26 | Very low | 30 | Very low | 87 Ų | 87 | 138.7 Ų | 138.7 | 47% | 0.465 | 73% | 0.732 | S | S | . | * | trans | -154.8 | 148.6 | 158.6 | -142.1 | -13.6 | 0 | 0 | 0 | 110.4 | E364 | E364-N400 WeakPolarHBondContact CB-ND2 3.38Å; E364-N400 PolarHBondContact OE2-ND2 3.37Å | ||
| 401 | T | 30.1 | Very low | 30 | Very low | 111 Ų | 111 | 140.9 Ų | 140.9 | 68% | 0.681 | 73% | 0.733 | S | S | * | * | trans | 104.6 | 127.1 | -159.6 | -60.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 402 | F | 31.1 | Very low | 29.7 | Very low | 182 Ų | 182 | 140.4 Ų | 140.4 | 80% | 0.798 | 73% | 0.734 | S | S | * | * | cis | -144.4 | 161.6 | -20.7 | -86.3 | -27.9 | 0 | 0 | 0 | 107 | ||||
| 403 | N | 27.7 | Very low | 29.5 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 64% | 0.636 | 72% | 0.724 | S | S | * | * | cis | 88.5 | 62.3 | 21.2 | -153.2 | 104.5 | 0 | 0 | 0 | 117 | ||||
| 404 | S | 27.6 | Very low | 29.8 | Very low | 104 Ų | 104 | 134 Ų | 134 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | trans | 62.9 | 108.6 | 151.8 | -55.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 405 | T | 30.3 | Very low | 29.4 | Very low | 108 Ų | 108 | 134.6 Ų | 134.6 | 66% | 0.663 | 71% | 0.706 | S | S | * | * | trans | 43.3 | 102.3 | 134.4 | 59 | 0 | 0 | 0 | 0 | 122.1 | L593 | T405-L593 HydrophobicContact CG2-CD1 4.33Š| ||
| 406 | N | 28.2 | Very low | 29.5 | Very low | 134 Ų | 134 | 131.4 Ų | 131.4 | 72% | 0.717 | 70% | 0.698 | S | S | * | * | 62.1 | 116.2 | 114.5 | -160.1 | 21.8 | 0 | 0 | 0 | 121.6 | |||||
| 407 | I | 33.8 | Very low | 29.8 | Very low | 146 Ų | 146 | 132 Ų | 132 | 75% | 0.749 | 70% | 0.697 | S | S | * | * | 178.1 | 120.7 | 116.7 | -89.6 | 161.3 | 0 | 0 | 0 | 112.9 | |||||
| 408 | N | 28.7 | Very low | 30.3 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 63% | 0.631 | 69% | 0.693 | S | S | * | * | trans | 35.4 | 150 | 147.5 | -52.4 | 0.9 | 0 | 0 | 0 | 126.6 | ||||
| 409 | H | 29.6 | Very low | 30.7 | Very low | 158 Ų | 158 | 132.5 Ų | 132.5 | 73% | 0.731 | 69% | 0.685 | S | S | * | * | trans | 73.9 | 144.7 | 151.4 | -72 | -58.5 | 0 | 0 | 0 | 118.7 | ||||
| 410 | D | 27.3 | Very low | 31.2 | Very low | 98 Ų | 98 | 132 Ų | 132 | 52% | 0.524 | 68% | 0.675 | S | S | . | * | cis | -158.4 | 172.2 | 1.9 | -131.7 | -10.9 | 0 | 0 | 0 | 114.5 | ||||
| 411 | Y | 33.3 | Very low | 31.5 | Very low | 200 Ų | 200 | 133 Ų | 133 | 78% | 0.784 | 68% | 0.68 | S | S | * | * | trans | 70.3 | 147.2 | 164.8 | -51.7 | -49.7 | 0 | 0 | 0 | 118.8 | ||||
| 412 | S | 32.5 | Very low | 31.8 | Very low | 94 Ų | 94 | 134.9 Ų | 134.9 | 66% | 0.657 | 68% | 0.683 | S | S | * | * | cis | -163.3 | 134.1 | -12.2 | -108.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 413 | T | 28.7 | Very low | 31.8 | Very low | 104 Ų | 104 | 131.3 Ų | 131.3 | 64% | 0.638 | 68% | 0.681 | S | S | * | * | trans | 61.9 | 144.9 | 134.9 | -29.2 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 414 | H | 33.4 | Very low | 32 | Very low | 155 Ų | 155 | 128.8 Ų | 128.8 | 72% | 0.718 | 68% | 0.683 | S | S | * | * | trans | 79.7 | 139 | 169.3 | -57.5 | -68.7 | 0 | 0 | 0 | 116.4 | ||||
| 415 | Q | 27.5 | Very low | 32.1 | Very low | 138 Ų | 138 | 131.6 Ų | 131.6 | 65% | 0.645 | 69% | 0.69 | S | S | * | * | cis | 151.4 | 152.6 | -12.8 | -105.8 | -170.8 | -73.9 | 0 | 0 | 105.4 | ||||
| 416 | D | 33 | Very low | 32.6 | Very low | 122 Ų | 122 | 131 Ų | 131 | 65% | 0.652 | 69% | 0.691 | S | S | * | * | cis | -119.9 | -136.6 | -9.8 | -83.4 | -66.4 | 0 | 0 | 0 | 107.8 | ||||
| 417 | E | 34 | Very low | 32.6 | Very low | 145 Ų | 145 | 132 Ų | 132 | 68% | 0.678 | 70% | 0.696 | S | S | * | * | cis | -159.1 | 146 | -4.6 | -149.4 | 175.3 | -165.5 | 0 | 0 | 110.3 | ||||
| 418 | F | 36.1 | Very low | 32.6 | Very low | 158 Ų | 158 | 130.3 Ų | 130.3 | 69% | 0.693 | 69% | 0.693 | S | S | * | * | trans | 61.8 | 142.8 | 171.2 | -49.2 | -58.5 | 0 | 0 | 0 | 119.3 | ||||
| 419 | D | 38.5 | Very low | 32.6 | Very low | 123 Ų | 123 | 129.3 Ų | 129.3 | 66% | 0.658 | 70% | 0.695 | S | S | * | * | cis | -160.2 | 140.8 | -20.9 | -108.8 | -11.8 | 0 | 0 | 0 | 106.3 | ||||
| 420 | K | 38.2 | Very low | 32.5 | Very low | 167 Ų | 167 | 127.5 Ų | 127.5 | 73% | 0.726 | 70% | 0.695 | S | S | * | * | 61.9 | 140.7 | 76.5 | -69.9 | -171 | 161.5 | -172 | 0 | 115.2 | |||||
| 421 | D | 32.7 | Very low | 32.7 | Very low | 108 Ų | 108 | 129.4 Ų | 129.4 | 58% | 0.578 | 71% | 0.705 | S | S | * | * | cis | -164 | 158.3 | -1.6 | -118.6 | -27.4 | 0 | 0 | 0 | 110.6 | ||||
| 422 | M | 36.3 | Very low | 32.5 | Very low | 151 Ų | 151 | 125.7 Ų | 125.7 | 74% | 0.744 | 70% | 0.703 | S | S | * | * | trans | 57 | 132.8 | 159.7 | -53.1 | -61.2 | 170.3 | 0 | 0 | 118.9 | ||||
| 423 | S | 31.1 | Very low | 32.4 | Very low | 107 Ų | 107 | 128.8 Ų | 128.8 | 75% | 0.748 | 71% | 0.708 | S | S | * | * | 60.4 | 129.2 | 50.3 | 83.9 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 424 | G | 31.5 | Very low | 32.7 | Very low | 67 Ų | 67 | 130.9 Ų | 130.9 | 69% | 0.691 | 71% | 0.713 | S | S | * | * | cis | 170.5 | 176.1 | -1.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 425 | N | 29.3 | Very low | 33.2 | Very low | 162 Ų | 162 | 129.5 Ų | 129.5 | 87% | 0.866 | 71% | 0.711 | S | S | * | * | trans | 60.5 | 119.4 | 175 | -75 | 28 | 0 | 0 | 0 | 116.6 | ||||
| 426 | S | 40.2 | Very low | 34 | Very low | 97 Ų | 97 | 129 Ų | 129 | 68% | 0.678 | 71% | 0.713 | S | S | * | * | cis | 102.8 | 110.5 | 43.5 | 68.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 427 | D | 29.3 | Very low | 34.7 | Very low | 154 Ų | 154 | 129.1 Ų | 129.1 | 82% | 0.824 | 71% | 0.713 | S | S | * | * | trans | -162.4 | 157.8 | 171.4 | -135.4 | -35.6 | 0 | 0 | 0 | 113.8 | ||||
| 428 | T | 34.1 | Very low | 35.2 | Very low | 111 Ų | 111 | 128.7 Ų | 128.7 | 68% | 0.681 | 72% | 0.715 | S | S | * | * | trans | 43.3 | 102.6 | 154.5 | -56 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 429 | S | 28.7 | Very low | 35.2 | Very low | 96 Ų | 96 | 128.4 Ų | 128.4 | 67% | 0.671 | 72% | 0.716 | S | S | * | * | cis | 94.2 | 128.8 | 43.1 | 83 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 430 | V | 28 | Very low | 35.1 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 73% | 0.733 | 72% | 0.724 | S | S | * | * | trans | 81.6 | 143.8 | 140.1 | 167.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 431 | N | 30.5 | Very low | 35.4 | Very low | 138 Ų | 138 | 129.9 Ų | 129.9 | 74% | 0.738 | 73% | 0.727 | S | S | * | * | trans | 75.3 | 122.5 | 174.1 | -68.6 | -17.1 | 0 | 0 | 0 | 117.7 | ||||
| 432 | V | 28.3 | Very low | 35.6 | Very low | 122 Ų | 122 | 132.2 Ų | 132.2 | 74% | 0.739 | 74% | 0.739 | S | S | * | * | cis | 93.2 | 143.9 | 39.6 | 170.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 433 | M | 31.8 | Very low | 35.7 | Very low | 158 Ų | 158 | 128.8 Ų | 128.8 | 78% | 0.778 | 74% | 0.742 | S | S | * | * | trans | 81.5 | 129.1 | -167.4 | -57.3 | -173.3 | 176.1 | 0 | 0 | 112.4 | ||||
| 434 | M | 34.7 | Very low | 35.8 | Very low | 148 Ų | 148 | 131 Ų | 131 | 73% | 0.729 | 75% | 0.746 | S | S | * | * | cis | -163.3 | -173.1 | -6.2 | -137.7 | 143.9 | -177.4 | 0 | 0 | 111.3 | ||||
| 435 | D | 42.7 | Very low | 36.2 | Very low | 126 Ų | 126 | 134.4 Ų | 134.4 | 67% | 0.674 | 75% | 0.748 | S | S | * | * | trans | 78.6 | 97.3 | 155.8 | -52.4 | -16.4 | 0 | 0 | 0 | 119.2 | ||||
| 436 | D | 45.6 | Very low | 36.7 | Very low | 129 Ų | 129 | 133.3 Ų | 133.3 | 69% | 0.69 | 74% | 0.742 | S | S | * | * | 105.4 | 102.8 | 117 | -60.3 | -3.1 | 0 | 0 | 0 | 121 | |||||
| 437 | D | 46.6 | Very low | 36.6 | Very low | 124 Ų | 124 | 134.6 Ų | 134.6 | 66% | 0.663 | 74% | 0.742 | S | S | * | * | 98.6 | 90.3 | 121.6 | -60.3 | 3.4 | 0 | 0 | 0 | 120.8 | |||||
| 438 | D | 46 | Very low | 36.9 | Very low | 135 Ų | 135 | 132.1 Ų | 132.1 | 72% | 0.722 | 73% | 0.732 | S | S | * | * | 88.2 | 102.7 | 110 | -66.5 | 2.1 | 0 | 0 | 0 | 121.8 | |||||
| 439 | E | 36.1 | Very low | 36.8 | Very low | 153 Ų | 153 | 135.2 Ų | 135.2 | 72% | 0.715 | 74% | 0.739 | S | S | * | * | 52.5 | 145.6 | 100.7 | -60.1 | -71.3 | -156.9 | 0 | 0 | 121.4 | |||||
| 440 | E | 36 | Very low | 37 | Very low | 174 Ų | 174 | 137.1 Ų | 137.1 | 81% | 0.813 | 74% | 0.741 | S | S | * | * | trans | 58.6 | 150.9 | 149.6 | -66.6 | 170.7 | 178.6 | 0 | 0 | 117.9 | ||||
| 441 | D | 44.9 | Very low | 37.3 | Very low | 147 Ų | 147 | 136.9 Ų | 136.9 | 79% | 0.786 | 74% | 0.74 | S | S | * | * | cis | -146.8 | 164.9 | 21.2 | -164.5 | 4.4 | 0 | 0 | 0 | 110.7 | ||||
| 442 | D | 36.2 | Very low | 37.7 | Very low | 156 Ų | 156 | 136.6 Ų | 136.6 | 83% | 0.834 | 74% | 0.743 | S | S | * | * | trans | -75.3 | 142.8 | 170.7 | -80.6 | -53.2 | 0 | 0 | 0 | 110.8 | ||||
| 443 | G | 37.4 | Very low | 37.7 | Very low | 79 Ų | 79 | 133.6 Ų | 133.6 | 81% | 0.814 | 74% | 0.736 | S | S | * | * | trans | -140.1 | 71.4 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 444 | D | 34.8 | Very low | 38 | Very low | 153 Ų | 153 | 132 Ų | 132 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | trans | -70.6 | 178.7 | 169.6 | -93.2 | -43.6 | 0 | 0 | 0 | 112.8 | ||||
| 445 | D | 39.2 | Very low | 38 | Very low | 140 Ų | 140 | 131.1 Ų | 131.1 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | trans | 75.3 | 126.2 | 160.1 | -70.1 | -21.7 | 0 | 0 | 0 | 120.6 | ||||
| 446 | D | 40.1 | Very low | 37.1 | Very low | 138 Ų | 138 | 130.5 Ų | 130.5 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | trans | 63.7 | 158.3 | 134 | -78.5 | -11.2 | 0 | 0 | 0 | 122.2 | ||||
| 447 | N | 37.7 | Very low | 36.3 | Very low | 125 Ų | 125 | 132 Ų | 132 | 67% | 0.668 | 76% | 0.76 | S | S | * | * | cis | -163.3 | -179.2 | -41.6 | -139.1 | -49.2 | 0 | 0 | 0 | 108.1 | ||||
| 448 | V | 35.3 | Very low | 35.6 | Very low | 101 Ų | 101 | 130.2 Ų | 130.2 | 61% | 0.612 | 76% | 0.763 | S | S | * | * | trans | -17.7 | 139.7 | 167.5 | -75.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 449 | E | 32 | Very low | 35 | Very low | 176 Ų | 176 | 132.7 Ų | 132.7 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | trans | 67 | 155 | 136.3 | -66.8 | 174.3 | -177.3 | 0 | 0 | 118.7 | ||||
| 450 | D | 32.2 | Very low | 34.7 | Very low | 137 Ų | 137 | 133.6 Ų | 133.6 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | cis | -149.1 | -177 | 0.4 | -159.4 | -6.7 | 0 | 0 | 0 | 108.9 | ||||
| 451 | V | 35.6 | Very low | 34.4 | Very low | 115 Ų | 115 | 130.9 Ų | 130.9 | 70% | 0.697 | 77% | 0.769 | S | S | * | * | trans | 64.4 | 122.7 | 151.6 | 166.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 452 | V | 37.9 | Very low | 33.8 | Very low | 132 Ų | 132 | 131.3 Ų | 131.3 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | cis | -165.6 | 159 | 2.4 | 111.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 453 | G | 28.9 | Very low | 33.4 | Very low | 59 Ų | 59 | 133.3 Ų | 133.3 | 61% | 0.608 | 76% | 0.761 | S | S | * | * | trans | -68.5 | 176.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 454 | P | 38.9 | Very low | 32.9 | Very low | 124 Ų | 124 | 131.8 Ų | 131.8 | 81% | 0.805 | 74% | 0.736 | S | S | * | * | cis | -148.9 | 146.2 | 44.4 | 38.3 | -18.4 | 0 | 0 | 0 | 117.4 | ||||
| 455 | S | 33.5 | Very low | 32.7 | Very low | 130 Ų | 130 | 126 Ų | 126 | 91% | 0.909 | 71% | 0.712 | S | S | * | * | trans | -176.5 | 64.3 | 141.6 | 29.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 456 | S | 24.3 | Very low | 32.1 | Very low | 113 Ų | 113 | 126.9 Ų | 126.9 | 79% | 0.79 | 72% | 0.715 | S | S | * | * | trans | -103.9 | 117.3 | 170.5 | 171.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 457 | D | 29.1 | Very low | 31.5 | Very low | 160 Ų | 160 | 125.8 Ų | 125.8 | 86% | 0.856 | 71% | 0.708 | S | S | * | * | trans | -163.5 | 145.6 | 153.2 | -102.1 | -30.8 | 0 | 0 | 0 | 110.5 | ||||
| 458 | A | 32.2 | Very low | 31 | Very low | 88 Ų | 88 | 124 Ų | 124 | 73% | 0.727 | 70% | 0.695 | S | S | * | * | trans | 52 | 73.5 | 163.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 459 | I | 32.9 | Very low | 30.5 | Very low | 187 Ų | 187 | 125.4 Ų | 125.4 | 96% | 0.959 | 70% | 0.695 | S | S | * | * | -119.5 | 77.7 | 127.9 | -56.1 | -176.2 | 0 | 0 | 0 | 107.5 | |||||
| 460 | E | 29.6 | Very low | 30.2 | Very low | 171 Ų | 171 | 121.3 Ų | 121.3 | 80% | 0.799 | 67% | 0.672 | S | S | * | * | trans | -105.3 | 139.3 | -179 | -152.4 | -170.5 | -177 | 0 | 0 | 111.1 | ||||
| 461 | D | 29.4 | Very low | 29.9 | Very low | 117 Ų | 117 | 122.3 Ų | 122.3 | 63% | 0.626 | 67% | 0.672 | S | S | * | * | trans | 77.6 | 153.1 | 150.1 | -139.9 | 2.9 | 0 | 0 | 0 | 121.9 | ||||
| 462 | K | 33.5 | Very low | 29.5 | Very low | 156 Ų | 156 | 125.7 Ų | 125.7 | 68% | 0.678 | 68% | 0.68 | S | S | * | * | trans | 39 | 102.2 | 166.9 | -61.8 | 175.9 | -174.3 | 77 | 0 | 117 | ||||
| 463 | Y | 26.5 | Very low | 29.1 | Very low | 198 Ų | 198 | 124.4 Ų | 124.4 | 78% | 0.776 | 68% | 0.677 | S | S | * | * | -155.8 | 125.1 | 75 | -113.4 | -83.5 | 0 | 0 | 0 | 113.5 | |||||
| 464 | V | 27 | Very low | 28.9 | Very low | 48 Ų | 48 | 130.8 Ų | 130.8 | 29% | 0.291 | 69% | 0.688 | S | S | . | * | trans | -85.2 | 138.6 | 155.6 | -176.7 | 0 | 0 | 0 | 0 | 107.4 | K1820 V1821 K1822 | V464-K1820 CarbonylContact C-O 3.56Å; V464-K1820 WeakPolarHBondContact CB-O 3.37Å; V464-K1820 WeakPolarHBondContact CG1-O 3.25Å; V464-V1821 HydrophobicContact CB-CG1 4.4Å; V464-V1821 HydrophobicContact CB-CG2 4.46Å; V464-V1821 HydrophobicContact CG2-CG1 4.37Å; V464-K1822 HydrophobicContact CG1-CD 4.34Å; V464-K1822 HydrophobicContact CG1-CG 3.84Å; V464-K1822 HydrophobicContact CG2-CB 4.44Å; V464-K1822 HydrophobicContact CG2-CD 4.08Å; V464-K1822 HydrophobicContact CG2-CG 4.17Å | ||
| 465 | G | 29.8 | Very low | 28.2 | Very low | 30 Ų | 30 | 129.4 Ų | 129.4 | 31% | 0.309 | 68% | 0.682 | S | S | . | * | trans | -173.6 | 1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 121.4 | I467 K1820 | G465-I467 VanDerWaalsContact C-N 3.27Å; G465-I467 PolarHBondContact O-N 2.94Å; G465-I467 VanDerWaalsContact O-O 3.13Å; G465-K1820 PolarHBondContact N-O 3.32Å | ||
| 466 | I | 27.1 | Very low | 27.9 | Very low | 160 Ų | 160 | 130.4 Ų | 130.4 | 82% | 0.821 | 68% | 0.677 | S | S | * | * | trans | -76.9 | 80.7 | -178.3 | -55.2 | -176.9 | 0 | 0 | 0 | 111.7 | K1820 | I466-K1820 PolarHBondContact O-NZ 3.49Š| ||
| 467 | I | 27.7 | Very low | 28.2 | Very low | 114 Ų | 114 | 130.8 Ų | 130.8 | 59% | 0.585 | 68% | 0.679 | S | S | * | * | trans | -171.9 | 153.6 | 137.6 | -97.2 | 171.5 | 0 | 0 | 0 | 104.8 | G465 K1820 | G465-I467 VanDerWaalsContact C-N 3.27Å; G465-I467 PolarHBondContact O-N 2.94Å; G465-I467 VanDerWaalsContact O-O 3.13Å; I467-K1820 HydrophobicContact CB-CD 4.16Å | ||
| 468 | K | 28.5 | Very low | 27.9 | Very low | 89 Ų | 89 | 132.2 Ų | 132.2 | 39% | 0.387 | 68% | 0.681 | S | S | . | * | trans | 88.6 | 98.1 | -166.8 | -55.4 | -153.4 | -93.7 | 162.4 | 0 | 111.1 | N1817 T1818 S1819 | K468-N1817 HydrophobicContact CB-CB 3.99Å; K468-N1817 HydrophobicContact CD-CB 3.99Å; K468-N1817 WeakPolarHBondContact CD-OD1 3.36Å; K468-N1817 HydrophobicContact CG-CB 4.33Å; K468-N1817 WeakPolarHBondContact CG-OD1 3.46Å; K468-N1817 PolarHBondContact NZ-O 3.18Å; K468-T1818 WeakPolarHBondContact CE-O 2.87Å; K468-T1818 VanDerWaalsContact NZ-C 3.28Å; K468-T1818 PolarHBondContact NZ-O 3.34Å; K468-S1819 WeakPolarHBondContact CE-O 3.16Å; K468-S1819 PolarHBondContact NZ-O 3.48Å | ||
| 469 | Q | 24.8 | Very low | 27.6 | Very low | 130 Ų | 130 | 135.8 Ų | 135.8 | 61% | 0.607 | 68% | 0.684 | S | S | * | * | 59.9 | 130.1 | 61.8 | -126.9 | -173.6 | 31 | 0 | 0 | 108.7 | N1817 | Q469-N1817 HydrophobicContact CB-CB 4.25Å; Q469-N1817 WeakPolarHBondContact O-CB 3.35Å; Q469-N1817 PolarHBondContact OE1-ND2 3.06Å | |||
| 470 | Y | 24.8 | Very low | 27.4 | Very low | 89 Ų | 89 | 137.1 Ų | 137.1 | 35% | 0.349 | 68% | 0.683 | S | S | . | * | cis | -154.3 | 156 | 43.5 | -127.7 | -110.7 | 0 | 0 | 0 | 113.2 | K1815 S1816 N1817 | Y470-K1815 HydrophobicContact CE1-CB 4.31Å; Y470-K1815 HydrophobicContact CE1-CD 3.69Å; Y470-S1816 VanDerWaalsContact CB-OG 3.3Å; Y470-S1816 WeakPolarHBondContact CB-OG 3.46Å; Y470-S1816 WeakPolarHBondContact CD1-OG 3.5Å; Y470-S1816 VanDerWaalsContact CG-OG 3.29Å; Y470-N1817 HydrophobicContact CD2-CB 4.5Å; Y470-N1817 WeakPolarHBondContact CD2-ND2 3.3Å | ||
| 471 | H | 25.5 | Very low | 27.3 | Very low | 158 Ų | 158 | 136.9 Ų | 136.9 | 73% | 0.731 | 69% | 0.687 | S | S | * | * | trans | 19.2 | 124 | 154.8 | -74.8 | -117.3 | 0 | 0 | 0 | 122.3 | ||||
| 472 | Q | 28.4 | Very low | 27 | Very low | 187 Ų | 187 | 139 Ų | 139 | 87% | 0.874 | 70% | 0.698 | S | S | * | * | -146.9 | 164.5 | 120 | -116.7 | -176.9 | 17.6 | 0 | 0 | 112 | |||||
| 473 | S | 28.7 | Very low | 26.7 | Very low | 105 Ų | 105 | 140.2 Ų | 140.2 | 73% | 0.734 | 71% | 0.706 | S | S | * | * | trans | -5.7 | 121.8 | 172.9 | -51.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 474 | K | 24.2 | Very low | 26.9 | Very low | 192 Ų | 192 | 136.9 Ų | 136.9 | 84% | 0.835 | 71% | 0.706 | S | S | * | * | 80.9 | 127.3 | 56 | -173.1 | -178.7 | -179.1 | -178 | 0 | 113.1 | |||||
| 475 | S | 24.4 | Very low | 27.2 | Very low | 96 Ų | 96 | 141 Ų | 141 | 67% | 0.671 | 73% | 0.732 | S | S | * | * | trans | 69.4 | 140.7 | -178.1 | -80.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 476 | N | 26.5 | Very low | 26.9 | Very low | 151 Ų | 151 | 146.2 Ų | 146.2 | 81% | 0.807 | 75% | 0.753 | S | S | * | * | cis | -144.8 | 131.3 | -3.3 | -85.5 | -29.8 | 0 | 0 | 0 | 110.7 | ||||
| 477 | S | 30.5 | Very low | 27.1 | Very low | 121 Ų | 121 | 146.7 Ų | 146.7 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | trans | -168.2 | 101.2 | 133 | -167 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 478 | H | 23.5 | Very low | 27.1 | Very low | 190 Ų | 190 | 147.1 Ų | 147.1 | 88% | 0.88 | 76% | 0.756 | S | S | * | * | trans | -134.5 | 69.2 | 175.9 | -176.7 | -65.7 | 0 | 0 | 0 | 107.5 | ||||
| 479 | M | 26.8 | Very low | 27 | Very low | 163 Ų | 163 | 152.1 Ų | 152.1 | 80% | 0.803 | 77% | 0.773 | S | S | * | * | trans | -152.2 | 79 | -174.9 | -143.1 | -168.2 | 86.6 | 0 | 0 | 113.8 | ||||
| 480 | F | 28.8 | Very low | 27.1 | Very low | 214 Ų | 214 | 152.8 Ų | 152.8 | 94% | 0.939 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -147.8 | 38 | 153.4 | -135.3 | -80.5 | 0 | 0 | 0 | 112.7 | ||
| 481 | L | 26.1 | Very low | 27.3 | Very low | 166 Ų | 166 | 153.5 Ų | 153.5 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -158.6 | 73.6 | 176.6 | -114.4 | 155.2 | 0 | 0 | 0 | 109.8 | ||
| 482 | N | 24.4 | Very low | 27.5 | Very low | 162 Ų | 162 | 154.4 Ų | 154.4 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | trans | -170.5 | 108.2 | 161.6 | -119.4 | -15 | 0 | 0 | 0 | 112.1 | ||||
| 483 | Q | 27.6 | Very low | 27.6 | Very low | 181 Ų | 181 | 151.6 Ų | 151.6 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | -159.4 | 142.7 | 147 | -114.2 | 170.8 | 9.9 | 0 | 0 | 109.5 | ||||
| 484 | T | 29.8 | Very low | 27.6 | Very low | 128 Ų | 128 | 154.7 Ų | 154.7 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | S | Bend | trans | 58.7 | 126.7 | 174.4 | 60.2 | 0 | 0 | 0 | 0 | 118.8 | ||
| 485 | T | 32.3 | Very low | 28.1 | Very low | 134 Ų | 134 | 152.4 Ų | 152.4 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | cis | -158.9 | 164.9 | -21.6 | -7.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 486 | N | 25.4 | Very low | 28.6 | Very low | 140 Ų | 140 | 155 Ų | 155 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | trans | -70 | 160.7 | -176.2 | -65.8 | -63.3 | 0 | 0 | 0 | 116 | ||||
| 487 | L | 31.4 | Very low | 29 | Very low | 171 Ų | 171 | 154.9 Ų | 154.9 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | -165.5 | 82.4 | 124.9 | -104.6 | 173.5 | 0 | 0 | 0 | 114.8 | |||||
| 488 | Q | 27.3 | Very low | 29.4 | Very low | 123 Ų | 123 | 155.9 Ų | 155.9 | 58% | 0.575 | 79% | 0.787 | S | S | * | * | trans | 47.7 | 134.9 | 134.3 | -144.9 | 72.8 | -3.3 | 0 | 0 | 125.1 | ||||
| 489 | Y | 24.9 | Very low | 30.3 | Very low | 193 Ų | 193 | 155.9 Ų | 155.9 | 76% | 0.757 | 78% | 0.781 | S | S | * | * | trans | 69.8 | 142.3 | 166.8 | -61.7 | -57.2 | 0 | 0 | 0 | 117.8 | ||||
| 490 | D | 27.4 | Very low | 31 | Very low | 144 Ų | 144 | 153.4 Ų | 153.4 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | cis | -138.8 | 155.4 | 11.4 | -125.5 | -12.9 | 0 | 0 | 0 | 113 | ||||
| 491 | P | 30.3 | Very low | 31.8 | Very low | 105 Ų | 105 | 149.1 Ų | 149.1 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | trans | -119.5 | 86.8 | -161.5 | 40.9 | -30 | 0 | 0 | 0 | 117.3 | ||||
| 492 | L | 28.9 | Very low | 32.9 | Very low | 176 Ų | 176 | 145.1 Ų | 145.1 | 92% | 0.921 | 73% | 0.733 | S | S | * | * | trans | -146.6 | 70 | 173.9 | -77.6 | -179.1 | 0 | 0 | 0 | 116.3 | ||||
| 493 | N | 30.7 | Very low | 34.6 | Very low | 129 Ų | 129 | 141 Ų | 141 | 69% | 0.69 | 71% | 0.71 | S | S | * | * | trans | -160.9 | 43.7 | 155.2 | -145.6 | -11.1 | 0 | 0 | 0 | 118 | N495 | N493-N495 PolarHBondContact O-N 2.99Š| ||
| 494 | H | 27.5 | Very low | 35.8 | Very low | 170 Ų | 170 | 136 Ų | 136 | 79% | 0.787 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | 38 | -172.6 | -99.2 | 49.6 | 0 | 0 | 0 | 116.7 | ||
| 495 | N | 34.7 | Very low | 37.6 | Very low | 144 Ų | 144 | 133.2 Ų | 133.2 | 77% | 0.77 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132 | 14.2 | -174.3 | -82.4 | -49.4 | 0 | 0 | 0 | 116.4 | N493 | N493-N495 PolarHBondContact O-N 2.99Š|
| 496 | H | 36.2 | Very low | 39.2 | Very low | 149 Ų | 149 | 132 Ų | 132 | 69% | 0.69 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -128.4 | -18.2 | 178.2 | -101.2 | 30.4 | 0 | 0 | 0 | 116.8 | ||
| 497 | E | 34.9 | Very low | 40.8 | Very low | 149 Ų | 149 | 132.1 Ų | 132.1 | 70% | 0.696 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -82.3 | -34.1 | -175 | -64.7 | -178.7 | 117.9 | 0 | 0 | 113.6 | Y499 N500 H501 | E497-Y499 VanDerWaalsContact C-N 3.25Å; E497-Y499 PolarHBondContact O-N 3.38Å; E497-N500 PolarHBondContact O-N 2.94Å; E497-H501 PolarHBondContact O-N 3.25Å; E497-H501 VanDerWaalsContact O-N 3.07Å |
| 498 | L | 39 | Very low | 42.5 | Very low | 142 Ų | 142 | 130 Ų | 130 | 74% | 0.743 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -55.8 | -36.7 | 179.5 | -81.3 | 164.8 | 0 | 0 | 0 | 113.4 | D502 | L498-D502 WeakPolarHBondContact O-CB 3.41Å; L498-D502 PolarHBondContact O-N 2.79Å |
| 499 | Y | 41.9 | Very low | 44.8 | Very low | 191 Ų | 191 | 127.6 Ų | 127.6 | 75% | 0.749 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -73 | -28.6 | -179.3 | -150 | -89.9 | 0 | 0 | 0 | 112.7 | E497 L503 | E497-Y499 VanDerWaalsContact C-N 3.25Å; E497-Y499 PolarHBondContact O-N 3.38Å; Y499-L503 WeakPolarHBondContact O-CB 3.32Å; Y499-L503 PolarHBondContact O-N 2.97Å |
| 500 | N | 41.4 | Very low | 47.1 | Very low | 110 Ų | 110 | 122.6 Ų | 122.6 | 59% | 0.588 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -80.9 | -36.5 | 176.9 | -74.6 | -40 | 0 | 0 | 0 | 111.9 | E497 L503 C504 | E497-N500 PolarHBondContact O-N 2.94Å; N500-L503 PolarHBondContact O-N 3.06Å; N500-C504 WeakPolarHBondContact O-CB 3.15Å; N500-C504 PolarHBondContact O-N 3.12Å |
| 501 | H | 45.2 | Very low | 49.3 | Very low | 125 Ų | 125 | 120.2 Ų | 120.2 | 58% | 0.579 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64.2 | -47.5 | 176.6 | -169.5 | 63.6 | 0 | 0 | 0 | 111.7 | E497 L503 C504 I505 | E497-H501 PolarHBondContact O-N 3.25Å; E497-H501 VanDerWaalsContact O-N 3.07Å; H501-L503 VanDerWaalsContact C-N 3.26Å; H501-L503 PolarHBondContact O-N 2.88Å; H501-C504 WeakPolarHBondContact O-CB 3.47Å; H501-C504 PolarHBondContact O-N 2.93Å; H501-I505 WeakPolarHBondContact O-CG1 3.38Å; H501-I505 PolarHBondContact O-N 2.69Å |
| 502 | D | 50.1 | Low | 51.5 | Low | 82 Ų | 82 | 118.4 Ų | 118.4 | 44% | 0.439 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.8 | -28 | 178.1 | -168.5 | 61.9 | 0 | 0 | 0 | 112.8 | L498 K506 | L498-D502 WeakPolarHBondContact O-CB 3.41Å; L498-D502 PolarHBondContact O-N 2.79Å; D502-K506 WeakPolarHBondContact O-CD 3.13Å; D502-K506 WeakPolarHBondContact O-CG 3.28Å; D502-K506 PolarHBondContact O-N 2.92Å; D502-K506 IonicContact OD1-NZ 3.17Å; D502-K506 IonicContact OD2-NZ 2.71Å; D502-K506 PolarHBondContact OD2-NZ 2.79Å |
| 503 | L | 59.1 | Low | 53.5 | Low | 74 Ų | 74 | 114.9 Ų | 114.9 | 39% | 0.387 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -74.1 | -37.2 | 170.9 | -157.9 | 76.5 | 0 | 0 | 0 | 112.1 | Y499 N500 H501 K506 Y507 | Y499-L503 WeakPolarHBondContact O-CB 3.32Å; Y499-L503 PolarHBondContact O-N 2.97Å; N500-L503 PolarHBondContact O-N 3.06Å; H501-L503 VanDerWaalsContact C-N 3.26Å; H501-L503 PolarHBondContact O-N 2.88Å; L503-K506 PolarHBondContact O-N 3.45Å; L503-Y507 HydrophobicContact CD1-CE2 4.49Å; L503-Y507 HydrophobicContact CD2-CE2 3.94Å; L503-Y507 HydrophobicContact CG-CD2 4.21Å; L503-Y507 HydrophobicContact CG-CE2 3.76Å; L503-Y507 WeakPolarHBondContact O-CD2 3.37Å; L503-Y507 PolarHBondContact O-N 3.11Å; L503-Y507 VanDerWaalsContact O-N 3.08Å |
| 504 | C | 53.7 | Low | 55.1 | Low | 78 Ų | 78 | 113.8 Ų | 113.8 | 53% | 0.527 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.3 | -49.1 | 176.5 | -158.5 | 0 | 0 | 0 | 0 | 111.1 | N500 H501 K506 Y507 E508 | N500-C504 WeakPolarHBondContact O-CB 3.15Å; N500-C504 PolarHBondContact O-N 3.12Å; H501-C504 WeakPolarHBondContact O-CB 3.47Å; H501-C504 PolarHBondContact O-N 2.93Å; C504-K506 PolarHBondContact O-N 2.75Å; C504-Y507 PolarHBondContact O-N 2.79Å; C504-E508 WeakPolarHBondContact O-CB 3.47Å; C504-E508 PolarHBondContact O-N 2.96Å |
| 505 | I | 66.4 | Low | 56.9 | Low | 69 Ų | 69 | 111.4 Ų | 111.4 | 35% | 0.354 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -56.5 | -39.1 | 175.8 | -67.4 | 167.1 | 0 | 0 | 0 | 111.2 | H501 E508 T509 | H501-I505 WeakPolarHBondContact O-CG1 3.38Å; H501-I505 PolarHBondContact O-N 2.69Å; I505-E508 PolarHBondContact O-N 3.43Å; I505-T509 WeakPolarHBondContact O-CB 3.24Å; I505-T509 PolarHBondContact O-N 3.23Å; I505-T509 PolarHBondContact O-OG1 3.41Å |
| 506 | K | 66.7 | Low | 58.8 | Low | 108 Ų | 108 | 107.3 Ų | 107.3 | 47% | 0.47 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 175.2 | -79.4 | 165.7 | 179.8 | 143.3 | 0 | 112.5 | D502 L503 C504 I510 | D502-K506 WeakPolarHBondContact O-CD 3.13Å; D502-K506 WeakPolarHBondContact O-CG 3.28Å; D502-K506 PolarHBondContact O-N 2.92Å; D502-K506 IonicContact OD1-NZ 3.17Å; D502-K506 IonicContact OD2-NZ 2.71Å; D502-K506 PolarHBondContact OD2-NZ 2.79Å; L503-K506 PolarHBondContact O-N 3.45Å; C504-K506 PolarHBondContact O-N 2.75Å; K506-I510 WeakPolarHBondContact O-CB 3.47Å; K506-I510 WeakPolarHBondContact O-CD1 3.39Å; K506-I510 WeakPolarHBondContact O-CG1 3.47Å; K506-I510 PolarHBondContact O-N 2.84Å |
| 507 | Y | 58.5 | Low | 60.4 | Low | 143 Ų | 143 | 106.4 Ų | 106.4 | 56% | 0.561 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67.3 | -39.3 | 175.1 | -75.2 | -58.5 | 0 | 0 | 0 | 112.6 | L503 C504 I510 I511 | L503-Y507 HydrophobicContact CD1-CE2 4.49Å; L503-Y507 HydrophobicContact CD2-CE2 3.94Å; L503-Y507 HydrophobicContact CG-CD2 4.21Å; L503-Y507 HydrophobicContact CG-CE2 3.76Å; L503-Y507 WeakPolarHBondContact O-CD2 3.37Å; L503-Y507 PolarHBondContact O-N 3.11Å; L503-Y507 VanDerWaalsContact O-N 3.08Å; C504-Y507 PolarHBondContact O-N 2.79Å; Y507-I510 PolarHBondContact O-N 3.15Å; Y507-I511 WeakPolarHBondContact O-CB 3.45Å; Y507-I511 VanDerWaalsContact O-CG1 3.25Å; Y507-I511 WeakPolarHBondContact O-CG1 3.46Å; Y507-I511 PolarHBondContact O-N 2.9Å |
| 508 | E | 68 | Low | 62.1 | Low | 125 Ų | 125 | 102.4 Ų | 102.4 | 58% | 0.584 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.5 | -46.1 | 175.8 | -171.6 | 167.7 | -130 | 0 | 0 | 111.4 | C504 I505 I510 I511 S512 | C504-E508 WeakPolarHBondContact O-CB 3.47Å; C504-E508 PolarHBondContact O-N 2.96Å; I505-E508 PolarHBondContact O-N 3.43Å; E508-I510 VanDerWaalsContact C-N 3.32Å; E508-I510 PolarHBondContact O-N 3.47Å; E508-I511 PolarHBondContact O-N 3.02Å; E508-S512 PolarHBondContact O-N 2.93Å; E508-S512 PolarHBondContact O-OG 2.83Å |
| 509 | T | 74.7 | Confident | 64 | Low | 74 Ų | 74 | 98.8 Ų | 98.8 | 45% | 0.454 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.9 | -40.9 | 174.1 | -54.8 | 0 | 0 | 0 | 0 | 112 | I505 N513 | I505-T509 WeakPolarHBondContact O-CB 3.24Å; I505-T509 PolarHBondContact O-N 3.23Å; I505-T509 PolarHBondContact O-OG1 3.41Å; T509-N513 WeakPolarHBondContact O-CB 3.41Å; T509-N513 PolarHBondContact O-N 3.19Å |
| 510 | I | 74.3 | Confident | 65.8 | Low | 88 Ų | 88 | 96 Ų | 96 | 45% | 0.451 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.3 | -39.7 | 176.7 | -73.1 | 166 | 0 | 0 | 0 | 111.1 | K506 Y507 E508 N513 M514 | K506-I510 WeakPolarHBondContact O-CB 3.47Å; K506-I510 WeakPolarHBondContact O-CD1 3.39Å; K506-I510 WeakPolarHBondContact O-CG1 3.47Å; K506-I510 PolarHBondContact O-N 2.84Å; Y507-I510 PolarHBondContact O-N 3.15Å; E508-I510 VanDerWaalsContact C-N 3.32Å; E508-I510 PolarHBondContact O-N 3.47Å; I510-N513 PolarHBondContact O-N 2.91Å; I510-M514 HydrophobicContact CG2-CE 3.9Å; I510-M514 HydrophobicContact CG2-SD 4.37Å; I510-M514 WeakPolarHBondContact O-CG 3.39Å; I510-M514 PolarHBondContact O-N 3.2Å |
| 511 | I | 72.3 | Confident | 67.3 | Low | 94 Ų | 94 | 94.9 Ų | 94.9 | 48% | 0.482 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.1 | -47.9 | 174.9 | -72.4 | 164.3 | 0 | 0 | 0 | 110.4 | Y507 E508 N513 M514 Q515 | Y507-I511 WeakPolarHBondContact O-CB 3.45Å; Y507-I511 VanDerWaalsContact O-CG1 3.25Å; Y507-I511 WeakPolarHBondContact O-CG1 3.46Å; Y507-I511 PolarHBondContact O-N 2.9Å; E508-I511 PolarHBondContact O-N 3.02Å; I511-N513 VanDerWaalsContact C-N 3.34Å; I511-N513 PolarHBondContact O-N 3.35Å; I511-M514 HydrophobicContact CG1-CE 4.25Å; I511-M514 PolarHBondContact O-N 3.26Å; I511-Q515 WeakPolarHBondContact O-CB 3.4Å; I511-Q515 PolarHBondContact O-N 2.78Å |
| 512 | S | 76.5 | Confident | 68.8 | Low | 66 Ų | 66 | 91.8 Ų | 91.8 | 46% | 0.462 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.4 | -41.3 | 176.6 | -64.6 | 0 | 0 | 0 | 0 | 112.5 | E508 Q515 A516 | E508-S512 PolarHBondContact O-N 2.93Å; E508-S512 PolarHBondContact O-OG 2.83Å; S512-Q515 PolarHBondContact O-N 2.86Å; S512-A516 WeakPolarHBondContact O-CB 3.48Å; S512-A516 PolarHBondContact O-N 2.99Å |
| 513 | N | 70.7 | Confident | 70 | Confident | 102 Ų | 102 | 93 Ų | 93 | 55% | 0.545 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.2 | -41 | 174.2 | -85.7 | -9.5 | 0 | 0 | 0 | 112.8 | T509 I510 I511 Q515 A516 Q517 | T509-N513 WeakPolarHBondContact O-CB 3.41Å; T509-N513 PolarHBondContact O-N 3.19Å; I510-N513 PolarHBondContact O-N 2.91Å; I511-N513 VanDerWaalsContact C-N 3.34Å; I511-N513 PolarHBondContact O-N 3.35Å; N513-Q515 VanDerWaalsContact C-N 3.3Å; N513-Q515 PolarHBondContact O-N 2.98Å; N513-A516 PolarHBondContact O-N 3.13Å; N513-Q517 WeakPolarHBondContact O-CB 3.43Å; N513-Q517 WeakPolarHBondContact O-CG 3.35Å; N513-Q517 PolarHBondContact O-N 3.13Å |
| 514 | M | 65.7 | Low | 70.7 | Confident | 106 Ų | 106 | 93.4 Ų | 93.4 | 52% | 0.522 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.9 | -31.4 | 174.6 | -71.1 | -175.6 | -54.9 | 0 | 0 | 112.1 | I510 I511 L518 | I510-M514 HydrophobicContact CG2-CE 3.9Å; I510-M514 HydrophobicContact CG2-SD 4.37Å; I510-M514 WeakPolarHBondContact O-CG 3.39Å; I510-M514 PolarHBondContact O-N 3.2Å; I511-M514 HydrophobicContact CG1-CE 4.25Å; I511-M514 PolarHBondContact O-N 3.26Å; M514-L518 VanDerWaalsContact O-CB 3.29Å; M514-L518 WeakPolarHBondContact O-CB 3.32Å; M514-L518 PolarHBondContact O-N 3.18Å |
| 515 | Q | 65.8 | Low | 71.5 | Confident | 121 Ų | 121 | 95.5 Ų | 95.5 | 57% | 0.565 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -71.7 | -41.2 | 175.7 | -169.1 | 166.3 | -10.3 | 0 | 0 | 111.1 | I511 S512 N513 L518 T519 | I511-Q515 WeakPolarHBondContact O-CB 3.4Å; I511-Q515 PolarHBondContact O-N 2.78Å; S512-Q515 PolarHBondContact O-N 2.86Å; N513-Q515 VanDerWaalsContact C-N 3.3Å; N513-Q515 PolarHBondContact O-N 2.98Å; Q515-L518 PolarHBondContact O-N 2.98Å; Q515-T519 PolarHBondContact O-N 3.3Å; Q515-T519 PolarHBondContact O-OG1 3.44Å; Q515-T519 VanDerWaalsContact O-OG1 3.11Å |
| 516 | A | 73 | Confident | 71.9 | Confident | 58 Ų | 58 | 94.8 Ų | 94.8 | 48% | 0.479 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.5 | -41.6 | 172 | 0 | 0 | 0 | 0 | 0 | 112.6 | S512 N513 L518 T519 Y520 | S512-A516 WeakPolarHBondContact O-CB 3.48Å; S512-A516 PolarHBondContact O-N 2.99Å; N513-A516 PolarHBondContact O-N 3.13Å; A516-L518 VanDerWaalsContact C-N 3.34Å; A516-T519 PolarHBondContact O-N 3.41Å; A516-Y520 PolarHBondContact O-N 2.96Å |
| 517 | Q | 70.2 | Confident | 72.3 | Confident | 130 Ų | 130 | 94.7 Ų | 94.7 | 61% | 0.607 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64.1 | -38.1 | 173.1 | -75.6 | 177.7 | -5.4 | 0 | 0 | 112.2 | N513 Y520 V521 | N513-Q517 WeakPolarHBondContact O-CB 3.43Å; N513-Q517 WeakPolarHBondContact O-CG 3.35Å; N513-Q517 PolarHBondContact O-N 3.13Å; Q517-Y520 PolarHBondContact O-N 3.48Å; Q517-V521 WeakPolarHBondContact O-CG2 3.42Å; Q517-V521 PolarHBondContact O-N 3.32Å |
| 518 | L | 70.3 | Confident | 73 | Confident | 65 Ų | 65 | 92.9 Ų | 92.9 | 34% | 0.34 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.5 | -40.2 | 173.9 | -179.8 | 65.6 | 0 | 0 | 0 | 111.5 | M514 Q515 A516 V521 I522 | M514-L518 VanDerWaalsContact O-CB 3.29Å; M514-L518 WeakPolarHBondContact O-CB 3.32Å; M514-L518 PolarHBondContact O-N 3.18Å; Q515-L518 PolarHBondContact O-N 2.98Å; A516-L518 VanDerWaalsContact C-N 3.34Å; L518-V521 PolarHBondContact O-N 3.38Å; L518-I522 HydrophobicContact CD1-CD1 4.17Å; L518-I522 HydrophobicContact CD1-CG1 4.46Å; L518-I522 HydrophobicContact CG-CD1 3.96Å; L518-I522 WeakPolarHBondContact O-CB 3.23Å; L518-I522 WeakPolarHBondContact O-CD1 3.26Å; L518-I522 VanDerWaalsContact O-CG1 3.22Å; L518-I522 WeakPolarHBondContact O-CG1 3.39Å; L518-I522 PolarHBondContact O-N 3.21Å |
| 519 | T | 78.8 | Confident | 73 | Confident | 66 Ų | 66 | 88.9 Ų | 88.9 | 41% | 0.405 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.2 | -49.6 | 172.3 | -59.2 | 0 | 0 | 0 | 0 | 110.8 | Q515 A516 V521 I522 E523 | Q515-T519 PolarHBondContact O-N 3.3Å; Q515-T519 PolarHBondContact O-OG1 3.44Å; Q515-T519 VanDerWaalsContact O-OG1 3.11Å; A516-T519 PolarHBondContact O-N 3.41Å; T519-V521 VanDerWaalsContact C-N 3.34Å; T519-V521 PolarHBondContact O-N 2.96Å; T519-I522 CarbonylContact O-C 3.36Å; T519-I522 WeakPolarHBondContact O-CA 3.47Å; T519-I522 WeakPolarHBondContact O-CB 3.42Å; T519-I522 PolarHBondContact O-N 3.48Å; T519-I522 VanDerWaalsContact O-N 3.07Å; T519-E523 HydrophobicContact CG2-CG 4.36Å; T519-E523 WeakPolarHBondContact CG2-OE1 3.32Å; T519-E523 WeakPolarHBondContact O-CG 3.46Å; T519-E523 PolarHBondContact O-N 2.86Å |
| 520 | Y | 80.2 | Confident | 72.7 | Confident | 133 Ų | 133 | 90.1 Ų | 90.1 | 52% | 0.522 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.5 | -40.3 | 178.5 | -175.9 | -99.8 | 0 | 0 | 0 | 113.1 | A516 Q517 E523 E524 | A516-Y520 PolarHBondContact O-N 2.96Å; Q517-Y520 PolarHBondContact O-N 3.48Å; Y520-E523 PolarHBondContact O-N 3.25Å; Y520-E524 HydrophobicContact CD1-CG 4.44Å; Y520-E524 HydrophobicContact CE1-CG 3.96Å; Y520-E524 PolarHBondContact O-N 3.22Å |
| 521 | V | 73.4 | Confident | 72.3 | Confident | 86 Ų | 86 | 90.9 Ų | 90.9 | 52% | 0.521 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -72.2 | -28.9 | 176.3 | 171.4 | 0 | 0 | 0 | 0 | 112.2 | Q517 L518 T519 R525 | Q517-V521 WeakPolarHBondContact O-CG2 3.42Å; Q517-V521 PolarHBondContact O-N 3.32Å; L518-V521 PolarHBondContact O-N 3.38Å; T519-V521 VanDerWaalsContact C-N 3.34Å; T519-V521 PolarHBondContact O-N 2.96Å; V521-R525 VanDerWaalsContact O-CB 3.23Å; V521-R525 WeakPolarHBondContact O-CB 3.47Å; V521-R525 PolarHBondContact O-N 3Å |
| 522 | I | 75.9 | Confident | 71.5 | Confident | 59 Ų | 59 | 90.6 Ų | 90.6 | 30% | 0.303 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -70.8 | -40.4 | 170.1 | -70.7 | 167 | 0 | 0 | 0 | 110.1 | L518 T519 R525 D526 | L518-I522 HydrophobicContact CD1-CD1 4.17Å; L518-I522 HydrophobicContact CD1-CG1 4.46Å; L518-I522 HydrophobicContact CG-CD1 3.96Å; L518-I522 WeakPolarHBondContact O-CB 3.23Å; L518-I522 WeakPolarHBondContact O-CD1 3.26Å; L518-I522 VanDerWaalsContact O-CG1 3.22Å; L518-I522 WeakPolarHBondContact O-CG1 3.39Å; L518-I522 PolarHBondContact O-N 3.21Å; T519-I522 CarbonylContact O-C 3.36Å; T519-I522 WeakPolarHBondContact O-CA 3.47Å; T519-I522 WeakPolarHBondContact O-CB 3.42Å; T519-I522 PolarHBondContact O-N 3.48Å; T519-I522 VanDerWaalsContact O-N 3.07Å; I522-R525 PolarHBondContact O-N 3.27Å; I522-D526 VanDerWaalsContact O-CB 3.28Å; I522-D526 WeakPolarHBondContact O-CB 3.44Å; I522-D526 VanDerWaalsContact O-CG 3.23Å; I522-D526 PolarHBondContact O-N 3.42Å |
| 523 | E | 76 | Confident | 70.4 | Confident | 108 Ų | 108 | 92.4 Ų | 92.4 | 51% | 0.505 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.2 | -45.4 | 175.4 | -72.8 | 169.4 | 176.5 | 0 | 0 | 111.6 | T519 Y520 D526 M527 | T519-E523 HydrophobicContact CG2-CG 4.36Å; T519-E523 WeakPolarHBondContact CG2-OE1 3.32Å; T519-E523 WeakPolarHBondContact O-CG 3.46Å; T519-E523 PolarHBondContact O-N 2.86Å; Y520-E523 PolarHBondContact O-N 3.25Å; E523-D526 PolarHBondContact O-N 2.92Å; E523-M527 WeakPolarHBondContact O-CB 3.41Å; E523-M527 VanDerWaalsContact O-CG 3.28Å; E523-M527 WeakPolarHBondContact O-CG 3.49Å; E523-M527 PolarHBondContact O-N 2.94Å |
| 524 | E | 73.6 | Confident | 69.5 | Low | 83 Ų | 83 | 93.7 Ų | 93.7 | 39% | 0.388 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.8 | -45.5 | 170.9 | -84.4 | -161.7 | 126.6 | 0 | 0 | 111.9 | Y520 D526 M527 L528 | Y520-E524 HydrophobicContact CD1-CG 4.44Å; Y520-E524 HydrophobicContact CE1-CG 3.96Å; Y520-E524 PolarHBondContact O-N 3.22Å; E524-D526 VanDerWaalsContact C-N 3.33Å; E524-D526 PolarHBondContact O-N 3.35Å; E524-M527 HydrophobicContact CG-CE 4.18Å; E524-M527 PolarHBondContact O-N 3.44Å; E524-L528 VanDerWaalsContact O-CB 3.31Å; E524-L528 WeakPolarHBondContact O-CB 3.46Å; E524-L528 VanDerWaalsContact O-CG 3.22Å; E524-L528 WeakPolarHBondContact O-CG 3.32Å; E524-L528 PolarHBondContact O-N 2.95Å |
| 525 | R | 71.1 | Confident | 68.4 | Low | 122 Ų | 122 | 93.7 Ų | 93.7 | 46% | 0.46 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.7 | -41 | 178.2 | -172.5 | -155.4 | 68.2 | 177.5 | -2.4 | 111.7 | V521 I522 L528 A529 | V521-R525 VanDerWaalsContact O-CB 3.23Å; V521-R525 WeakPolarHBondContact O-CB 3.47Å; V521-R525 PolarHBondContact O-N 3Å; I522-R525 PolarHBondContact O-N 3.27Å; R525-L528 PolarHBondContact O-N 2.99Å; R525-A529 VanDerWaalsContact O-CB 3.3Å; R525-A529 WeakPolarHBondContact O-CB 3.46Å; R525-A529 PolarHBondContact O-N 3.43Å |
| 526 | D | 75.3 | Confident | 67.3 | Low | 54 Ų | 54 | 92.5 Ų | 92.5 | 29% | 0.289 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -77.9 | -30.6 | -177.5 | -68 | 0.9 | 0 | 0 | 0 | 110.7 | I522 E523 E524 N530 | I522-D526 VanDerWaalsContact O-CB 3.28Å; I522-D526 WeakPolarHBondContact O-CB 3.44Å; I522-D526 VanDerWaalsContact O-CG 3.23Å; I522-D526 PolarHBondContact O-N 3.42Å; E523-D526 PolarHBondContact O-N 2.92Å; E524-D526 VanDerWaalsContact C-N 3.33Å; E524-D526 PolarHBondContact O-N 3.35Å; D526-N530 WeakPolarHBondContact O-CB 3.41Å; D526-N530 PolarHBondContact O-N 3.44Å; D526-N530 PolarHBondContact O-ND2 3.34Å |
| 527 | M | 74.6 | Confident | 65.8 | Low | 105 Ų | 105 | 91.8 Ų | 91.8 | 52% | 0.517 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.8 | -45.7 | 164.1 | -75.9 | -169 | -60.1 | 0 | 0 | 112 | E523 E524 N530 Q531 | E523-M527 WeakPolarHBondContact O-CB 3.41Å; E523-M527 VanDerWaalsContact O-CG 3.28Å; E523-M527 WeakPolarHBondContact O-CG 3.49Å; E523-M527 PolarHBondContact O-N 2.94Å; E524-M527 HydrophobicContact CG-CE 4.18Å; E524-M527 PolarHBondContact O-N 3.44Å; M527-N530 PolarHBondContact O-N 2.89Å; M527-Q531 WeakPolarHBondContact O-CB 3.42Å; M527-Q531 WeakPolarHBondContact O-CG 3.25Å; M527-Q531 PolarHBondContact O-N 2.86Å |
| 528 | L | 73.4 | Confident | 64.1 | Low | 105 Ų | 105 | 88.9 Ų | 88.9 | 55% | 0.55 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.8 | -33.7 | 177.9 | -73.8 | 166.8 | 0 | 0 | 0 | 112.2 | E524 R525 L532 | E524-L528 VanDerWaalsContact O-CB 3.31Å; E524-L528 WeakPolarHBondContact O-CB 3.46Å; E524-L528 VanDerWaalsContact O-CG 3.22Å; E524-L528 WeakPolarHBondContact O-CG 3.32Å; E524-L528 PolarHBondContact O-N 2.95Å; R525-L528 PolarHBondContact O-N 2.99Å; L528-L532 VanDerWaalsContact O-CB 3.25Å; L528-L532 WeakPolarHBondContact O-CB 3.34Å; L528-L532 PolarHBondContact O-N 3.4Å |
| 529 | A | 68.5 | Low | 62.3 | Low | 42 Ų | 42 | 93.9 Ų | 93.9 | 35% | 0.347 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.3 | -37.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R525 L532 N533 | R525-A529 VanDerWaalsContact O-CB 3.3Å; R525-A529 WeakPolarHBondContact O-CB 3.46Å; R525-A529 PolarHBondContact O-N 3.43Å; A529-L532 PolarHBondContact O-N 3.35Å; A529-N533 WeakPolarHBondContact O-CB 3.42Å; A529-N533 PolarHBondContact O-N 2.98Å; A529-N533 PolarHBondContact O-ND2 3.36Å |
| 530 | N | 66.6 | Low | 60.1 | Low | 99 Ų | 99 | 100 Ų | 100 | 53% | 0.529 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.6 | -44.3 | 172.8 | -70.5 | -18.5 | 0 | 0 | 0 | 111.4 | D526 M527 L532 N533 E534 | D526-N530 WeakPolarHBondContact O-CB 3.41Å; D526-N530 PolarHBondContact O-N 3.44Å; D526-N530 PolarHBondContact O-ND2 3.34Å; M527-N530 PolarHBondContact O-N 2.89Å; N530-L532 VanDerWaalsContact C-N 3.31Å; N530-L532 PolarHBondContact O-N 2.98Å; N530-N533 WeakPolarHBondContact O-CB 3.34Å; N530-N533 PolarHBondContact O-N 3.12Å; N530-E534 WeakPolarHBondContact O-CG 3.35Å; N530-E534 PolarHBondContact O-N 2.91Å |
| 531 | Q | 67.1 | Low | 57.5 | Low | 105 Ų | 105 | 98 Ų | 98 | 49% | 0.491 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.9 | -36.1 | 173 | -76.1 | -179.9 | -15.6 | 0 | 0 | 112.3 | M527 E534 L535 | M527-Q531 WeakPolarHBondContact O-CB 3.42Å; M527-Q531 WeakPolarHBondContact O-CG 3.25Å; M527-Q531 PolarHBondContact O-N 2.86Å; Q531-E534 PolarHBondContact O-N 3.44Å; Q531-L535 WeakPolarHBondContact O-CB 3.44Å; Q531-L535 WeakPolarHBondContact O-CD1 3.37Å; Q531-L535 WeakPolarHBondContact O-CG 3.37Å; Q531-L535 PolarHBondContact O-N 3.02Å |
| 532 | L | 54.6 | Low | 55.3 | Low | 87 Ų | 87 | 100.5 Ų | 100.5 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.5 | -42 | 174.5 | -174 | 61.8 | 0 | 0 | 0 | 111.3 | L528 A529 N530 L535 T536 | L528-L532 VanDerWaalsContact O-CB 3.25Å; L528-L532 WeakPolarHBondContact O-CB 3.34Å; L528-L532 PolarHBondContact O-N 3.4Å; A529-L532 PolarHBondContact O-N 3.35Å; N530-L532 VanDerWaalsContact C-N 3.31Å; N530-L532 PolarHBondContact O-N 2.98Å; L532-L535 PolarHBondContact O-N 3.46Å; L532-T536 WeakPolarHBondContact O-CG2 3.28Å; L532-T536 PolarHBondContact O-N 3.14Å; L532-T536 PolarHBondContact O-OG1 2.82Å |
| 533 | N | 54.6 | Low | 53.1 | Low | 104 Ų | 104 | 105.8 Ų | 105.8 | 56% | 0.556 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.5 | -44.3 | 172.5 | -75.3 | -26.1 | 0 | 0 | 0 | 111.3 | A529 N530 L535 T536 G537 | A529-N533 WeakPolarHBondContact O-CB 3.42Å; A529-N533 PolarHBondContact O-N 2.98Å; A529-N533 PolarHBondContact O-ND2 3.36Å; N530-N533 WeakPolarHBondContact O-CB 3.34Å; N530-N533 PolarHBondContact O-N 3.12Å; N533-L535 PolarHBondContact O-N 3.01Å; N533-T536 WeakPolarHBondContact CA-OG1 3.29Å; N533-T536 CarbonylContact O-C 3.59Å; N533-T536 PolarHBondContact O-N 3.36Å; N533-T536 PolarHBondContact O-OG1 3.49Å; N533-G537 PolarHBondContact O-N 3.27Å |
| 534 | E | 51.7 | Low | 50.9 | Low | 130 Ų | 130 | 108.4 Ų | 108.4 | 61% | 0.607 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62 | -38.4 | 173.7 | -74 | -177 | 141.1 | 0 | 0 | 112.1 | N530 Q531 G537 T538 | N530-E534 WeakPolarHBondContact O-CG 3.35Å; N530-E534 PolarHBondContact O-N 2.91Å; Q531-E534 PolarHBondContact O-N 3.44Å; E534-G537 PolarHBondContact O-N 2.93Å; E534-T538 WeakPolarHBondContact O-CB 3.43Å; E534-T538 VanDerWaalsContact O-CG2 3.3Å; E534-T538 WeakPolarHBondContact O-CG2 3.35Å; E534-T538 PolarHBondContact O-N 3.27Å; E534-T538 PolarHBondContact O-OG1 2.94Å |
| 535 | L | 42 | Very low | 48.6 | Very low | 106 Ų | 106 | 112.2 Ų | 112.2 | 56% | 0.555 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -65.4 | -38.2 | 173.5 | -83.9 | 158.5 | 0 | 0 | 0 | 112.2 | Q531 L532 N533 G537 T538 H539 | Q531-L535 WeakPolarHBondContact O-CB 3.44Å; Q531-L535 WeakPolarHBondContact O-CD1 3.37Å; Q531-L535 WeakPolarHBondContact O-CG 3.37Å; Q531-L535 PolarHBondContact O-N 3.02Å; L532-L535 PolarHBondContact O-N 3.46Å; N533-L535 PolarHBondContact O-N 3.01Å; L535-G537 VanDerWaalsContact C-N 3.33Å; L535-T538 WeakPolarHBondContact CA-OG1 3.35Å; L535-T538 PolarHBondContact O-OG1 2.89Å; L535-H539 PolarHBondContact O-N 3.21Å |
| 536 | T | 43.2 | Very low | 46.5 | Very low | 96 Ų | 96 | 112 Ų | 112 | 59% | 0.589 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -72.2 | -23.7 | 172.1 | 60.2 | 0 | 0 | 0 | 0 | 113.8 | L532 N533 | L532-T536 WeakPolarHBondContact O-CG2 3.28Å; L532-T536 PolarHBondContact O-N 3.14Å; L532-T536 PolarHBondContact O-OG1 2.82Å; N533-T536 WeakPolarHBondContact CA-OG1 3.29Å; N533-T536 CarbonylContact O-C 3.59Å; N533-T536 PolarHBondContact O-N 3.36Å; N533-T536 PolarHBondContact O-OG1 3.49Å |
| 537 | G | 40 | Very low | 44.1 | Very low | 42 Ų | 42 | 115.5 Ų | 115.5 | 43% | 0.433 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -83.3 | -39.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | N533 E534 L535 K540 | N533-G537 PolarHBondContact O-N 3.27Å; E534-G537 PolarHBondContact O-N 2.93Å; L535-G537 VanDerWaalsContact C-N 3.33Å; G537-K540 WeakPolarHBondContact O-CA 3.34Å; G537-K540 WeakPolarHBondContact O-CB 3.15Å; G537-K540 PolarHBondContact O-N 3.37Å |
| 538 | T | 35.5 | Very low | 41.9 | Very low | 69 Ų | 69 | 117.9 Ų | 117.9 | 42% | 0.423 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -73.3 | -29.3 | -176 | 46.4 | 0 | 0 | 0 | 0 | 112.8 | E534 L535 K540 S541 | E534-T538 WeakPolarHBondContact O-CB 3.43Å; E534-T538 VanDerWaalsContact O-CG2 3.3Å; E534-T538 WeakPolarHBondContact O-CG2 3.35Å; E534-T538 PolarHBondContact O-N 3.27Å; E534-T538 PolarHBondContact O-OG1 2.94Å; L535-T538 WeakPolarHBondContact CA-OG1 3.35Å; L535-T538 PolarHBondContact O-OG1 2.89Å; T538-K540 PolarHBondContact O-N 3.45Å; T538-K540 VanDerWaalsContact O-N 3.1Å; T538-S541 CarbonylContact O-C 3.57Å; T538-S541 PolarHBondContact O-N 3.14Å |
| 539 | H | 32 | Very low | 39.5 | Very low | 170 Ų | 170 | 121.2 Ų | 121.2 | 79% | 0.787 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -2.8 | 167.2 | -105.7 | -75 | 0 | 0 | 0 | 114.5 | L535 | L535-H539 PolarHBondContact O-N 3.21Š|
| 540 | K | 32.4 | Very low | 37.4 | Very low | 196 Ų | 196 | 125.4 Ų | 125.4 | 85% | 0.852 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.1 | 5.4 | 166.7 | -106.6 | -176.8 | 176.7 | -176.7 | 0 | 113.9 | G537 T538 | G537-K540 WeakPolarHBondContact O-CA 3.34Å; G537-K540 WeakPolarHBondContact O-CB 3.15Å; G537-K540 PolarHBondContact O-N 3.37Å; T538-K540 PolarHBondContact O-N 3.45Å; T538-K540 VanDerWaalsContact O-N 3.1Å |
| 541 | S | 26.8 | Very low | 35.5 | Very low | 91 Ų | 91 | 125.4 Ų | 125.4 | 64% | 0.636 | 69% | 0.686 | S | S | * | * | trans | -147.5 | 64.1 | -174.3 | -161.9 | 0 | 0 | 0 | 0 | 113.4 | T538 | T538-S541 CarbonylContact O-C 3.57Å; T538-S541 PolarHBondContact O-N 3.14Å | ||
| 542 | I | 27.5 | Very low | 33.6 | Very low | 138 Ų | 138 | 127.3 Ų | 127.3 | 71% | 0.708 | 71% | 0.705 | S | S | * | * | trans | -133.4 | 67.6 | 163.1 | -47 | -179.5 | 0 | 0 | 0 | 110.4 | ||||
| 543 | L | 29.3 | Very low | 32.5 | Very low | 170 Ų | 170 | 129.3 Ų | 129.3 | 89% | 0.89 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -141.8 | 138.2 | 144.7 | -133.4 | 100.5 | 0 | 0 | 0 | 107.4 | ||
| 544 | L | 29 | Very low | 31.1 | Very low | 162 Ų | 162 | 130.6 Ų | 130.6 | 85% | 0.848 | 73% | 0.732 | S | S | * | * | trans | -73.8 | 152.9 | -164.5 | -91.1 | 78.3 | 0 | 0 | 0 | 114 | S546 | L544-S546 PolarHBondContact O-N 2.76Š| ||
| 545 | N | 25 | Very low | 30 | Very low | 163 Ų | 163 | 129.8 Ų | 129.8 | 87% | 0.872 | 74% | 0.736 | S | S | * | * | trans | -49.1 | 126.3 | 170.3 | -65.2 | -28.4 | 0 | 0 | 0 | 113.1 | ||||
| 546 | S | 27.3 | Very low | 29.2 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | trans | -145.8 | 103.4 | 141.4 | 58.5 | 0 | 0 | 0 | 0 | 110.6 | L544 | L544-S546 PolarHBondContact O-N 2.76Š| ||
| 547 | T | 24.4 | Very low | 28.6 | Very low | 128 Ų | 128 | 133.8 Ų | 133.8 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | trans | -43.7 | 143.9 | 168.1 | -36.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 548 | I | 28.3 | Very low | 28.1 | Very low | 155 Ų | 155 | 137.7 Ų | 137.7 | 80% | 0.795 | 77% | 0.765 | S | S | * | * | 174.5 | 136.4 | 119.5 | -91.1 | 164.6 | 0 | 0 | 0 | 111.3 | |||||
| 549 | Q | 24.3 | Very low | 27.7 | Very low | 175 Ų | 175 | 139.4 Ų | 139.4 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -86.5 | 151.6 | 168.3 | -57 | 155.3 | -57.9 | 0 | 0 | 109.5 | ||||
| 550 | T | 24.2 | Very low | 27.6 | Very low | 131 Ų | 131 | 136.3 Ų | 136.3 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | 177.7 | 122.3 | 130 | 25.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 551 | S | 25.7 | Very low | 27.4 | Very low | 99 Ų | 99 | 131.7 Ų | 131.7 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | 85.9 | 112.8 | 57.6 | -62.9 | 0 | 0 | 0 | 0 | 113.3 | V553 | S551-V553 PolarHBondContact O-N 3.44Š| |||
| 552 | T | 28.5 | Very low | 27.3 | Very low | 144 Ų | 144 | 135.5 Ų | 135.5 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | trans | -74.1 | 96.5 | 156.9 | 48.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 553 | V | 30.1 | Very low | 27.2 | Very low | 130 Ų | 130 | 132.8 Ų | 132.8 | 79% | 0.788 | 78% | 0.78 | S | S | * | * | 82.7 | 105.7 | 81.1 | 167.8 | 0 | 0 | 0 | 0 | 112.6 | S551 | S551-V553 PolarHBondContact O-N 3.44Š| |||
| 554 | V | 25.9 | Very low | 27.1 | Very low | 130 Ų | 130 | 130.9 Ų | 130.9 | 79% | 0.788 | 78% | 0.775 | S | S | * | * | trans | 170.6 | 118.7 | 152 | 147.6 | 0 | 0 | 0 | 0 | 103.1 | ||||
| 555 | T | 28.2 | Very low | 27 | Very low | 114 Ų | 114 | 128 Ų | 128 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | cis | -153.4 | 152.3 | 9.9 | 9.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 556 | E | 26.7 | Very low | 27.1 | Very low | 157 Ų | 157 | 125.8 Ų | 125.8 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | trans | 66.4 | 120.1 | 143.6 | -77.3 | -172.8 | -137.9 | 0 | 0 | 124.7 | ||||
| 557 | N | 29.2 | Very low | 27 | Very low | 128 Ų | 128 | 126.4 Ų | 126.4 | 68% | 0.684 | 76% | 0.76 | S | S | * | * | 100.9 | 105.2 | 128.1 | -63.5 | -16.5 | 0 | 0 | 0 | 124 | |||||
| 558 | V | 30 | Very low | 27.2 | Very low | 124 Ų | 124 | 126.6 Ų | 126.6 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | trans | 81.6 | 88.5 | 131.2 | -172.5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 559 | S | 27.1 | Very low | 27.2 | Very low | 105 Ų | 105 | 125.5 Ų | 125.5 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | 71.4 | 136.2 | 120.1 | -54.4 | 0 | 0 | 0 | 0 | 125.9 | |||||
| 560 | S | 29.6 | Very low | 27.8 | Very low | 106 Ų | 106 | 122 Ų | 122 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | trans | 86.1 | 97.7 | 138.3 | 42.8 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 561 | S | 27.5 | Very low | 27.9 | Very low | 98 Ų | 98 | 121.4 Ų | 121.4 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | 71 | 121.7 | 121.3 | 65.7 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 562 | L | 25.4 | Very low | 27.9 | Very low | 172 Ų | 172 | 122.1 Ų | 122.1 | 90% | 0.901 | 75% | 0.751 | S | S | * | * | trans | 56.6 | 146 | 136.8 | -79.8 | 69.5 | 0 | 0 | 0 | 120.5 | ||||
| 563 | A | 25.2 | Very low | 27.7 | Very low | 80 Ų | 80 | 120 Ų | 120 | 66% | 0.661 | 74% | 0.742 | S | S | * | * | cis | -173.4 | 175.7 | -13 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 564 | V | 28.2 | Very low | 27.5 | Very low | 130 Ų | 130 | 119.3 Ų | 119.3 | 79% | 0.788 | 74% | 0.738 | S | S | * | * | trans | 80 | 113.9 | 160 | -176.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 565 | S | 26.9 | Very low | 27.4 | Very low | 102 Ų | 102 | 120.4 Ų | 120.4 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | trans | 36.1 | 154.1 | 133.9 | -45.2 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 566 | T | 25.8 | Very low | 27.2 | Very low | 117 Ų | 117 | 118.9 Ų | 118.9 | 72% | 0.718 | 73% | 0.732 | S | S | * | * | cis | -167.1 | 150.9 | 24.2 | -12.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 567 | T | 25.5 | Very low | 27.4 | Very low | 130 Ų | 130 | 118.9 Ų | 118.9 | 80% | 0.798 | 73% | 0.732 | S | S | * | * | trans | 59.7 | 149.9 | 156.1 | 57 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 568 | T | 30.1 | Very low | 27.2 | Very low | 131 Ų | 131 | 119.3 Ų | 119.3 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | cis | -139.6 | -154.4 | 29.8 | 48.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 569 | T | 27.5 | Very low | 26.9 | Very low | 132 Ų | 132 | 120 Ų | 120 | 81% | 0.81 | 74% | 0.737 | S | S | * | * | trans | -142.9 | -172.2 | -158.3 | 58.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 570 | P | 36.7 | Very low | 26.9 | Very low | 103 Ų | 103 | 118 Ų | 118 | 67% | 0.669 | 73% | 0.732 | S | S | * | * | -133.6 | -151.3 | -89.8 | 42.7 | -21.9 | 0 | 0 | 0 | 114.5 | |||||
| 571 | T | 25.9 | Very low | 26.6 | Very low | 117 Ų | 117 | 120.5 Ų | 120.5 | 72% | 0.718 | 74% | 0.737 | S | S | * | * | trans | 89.5 | 144.3 | 169.5 | 73.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 572 | T | 25.5 | Very low | 26.6 | Very low | 114 Ų | 114 | 124.6 Ų | 124.6 | 70% | 0.699 | 74% | 0.742 | S | S | * | * | cis | -167.4 | 141.7 | -16.2 | 23 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 573 | S | 24.4 | Very low | 26.5 | Very low | 100 Ų | 100 | 120.8 Ų | 120.8 | 70% | 0.699 | 73% | 0.73 | S | S | * | * | trans | 46 | 147.3 | 144.4 | 67.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 574 | T | 25.8 | Very low | 26.6 | Very low | 115 Ų | 115 | 126.3 Ų | 126.3 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | cis | -179.1 | 164.8 | 28.9 | -7.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 575 | I | 25.3 | Very low | 26.4 | Very low | 154 Ų | 154 | 123.1 Ų | 123.1 | 79% | 0.79 | 72% | 0.719 | S | S | * | * | trans | 69.9 | 151 | 155.6 | -65.8 | 158.3 | 0 | 0 | 0 | 114.6 | ||||
| 576 | S | 23.9 | Very low | 26.4 | Very low | 82 Ų | 82 | 124.8 Ų | 124.8 | 57% | 0.573 | 72% | 0.718 | S | S | * | * | cis | -124.2 | -149.3 | 6.6 | -139.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 577 | E | 30.1 | Very low | 26.4 | Very low | 156 Ų | 156 | 123.5 Ų | 123.5 | 73% | 0.729 | 71% | 0.714 | S | S | * | * | cis | -142.4 | -148.5 | 4.8 | -156.1 | 60.3 | -79.4 | 0 | 0 | 112.1 | ||||
| 578 | I | 24 | Very low | 26.5 | Very low | 137 Ų | 137 | 123.3 Ų | 123.3 | 70% | 0.703 | 70% | 0.704 | S | S | * | * | trans | -148.7 | 159.8 | -157.9 | -35.9 | 174.2 | 0 | 0 | 0 | 111.4 | ||||
| 579 | V | 25.1 | Very low | 26.5 | Very low | 140 Ų | 140 | 121.9 Ų | 121.9 | 85% | 0.848 | 70% | 0.697 | S | S | * | * | trans | 77.9 | 140.1 | 164.7 | -166.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 580 | G | 26.1 | Very low | 26.3 | Very low | 61 Ų | 61 | 122.4 Ų | 122.4 | 63% | 0.629 | 69% | 0.693 | S | S | * | * | cis | 154.9 | 154.4 | -12.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 581 | L | 23.5 | Very low | 25.7 | Very low | 160 Ų | 160 | 125.6 Ų | 125.6 | 84% | 0.838 | 70% | 0.701 | S | S | * | * | trans | 47.8 | 120.4 | 156.2 | -52.9 | 175 | 0 | 0 | 0 | 119.8 | ||||
| 582 | K | 27 | Very low | 25.8 | Very low | 183 Ų | 183 | 123.7 Ų | 123.7 | 80% | 0.796 | 71% | 0.705 | S | S | * | * | -171.5 | 146.2 | 81.7 | -85.1 | 163 | -174.1 | 169 | 0 | 109.2 | |||||
| 583 | S | 24.2 | Very low | 25.8 | Very low | 93 Ų | 93 | 124.8 Ų | 124.8 | 65% | 0.65 | 71% | 0.706 | S | S | * | * | 57.9 | 126.6 | 72.5 | -43.7 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 584 | Y | 26.5 | Very low | 25.9 | Very low | 196 Ų | 196 | 126.9 Ų | 126.9 | 77% | 0.769 | 71% | 0.709 | S | S | * | * | cis | -133.3 | 160 | 36.3 | -75.9 | -104.6 | 0 | 0 | 0 | 111.9 | ||||
| 585 | S | 24.7 | Very low | 26.1 | Very low | 63 Ų | 63 | 133.1 Ų | 133.1 | 44% | 0.441 | 72% | 0.72 | S | S | . | * | cis | 87.8 | 156.8 | 33.5 | -63.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 586 | I | 27.1 | Very low | 26.2 | Very low | 137 Ų | 137 | 130.5 Ų | 130.5 | 70% | 0.703 | 72% | 0.715 | S | S | * | * | trans | 86.2 | 137.3 | -171.8 | -58.1 | 168.7 | 0 | 0 | 0 | 112.8 | ||||
| 587 | S | 25.6 | Very low | 26.3 | Very low | 90 Ų | 90 | 132.1 Ų | 132.1 | 63% | 0.629 | 72% | 0.722 | S | S | * | * | cis | -127.9 | 105.4 | 17.8 | 44.4 | 0 | 0 | 0 | 0 | 116.8 | Q1364 | S587-Q1364 PolarHBondContact O-NE2 3.39Š| ||
| 588 | H | 26.8 | Very low | 26.1 | Very low | 126 Ų | 126 | 133.8 Ų | 133.8 | 58% | 0.583 | 73% | 0.729 | S | S | * | * | trans | -81.7 | 171.8 | 135.5 | -107.5 | -20.2 | 0 | 0 | 0 | 106.8 | Q1364 | H588-Q1364 PolarHBondContact CE1-OE1 3.23Å; H588-Q1364 VanDerWaalsContact N-NE2 3.17Å; H588-Q1364 VanDerWaalsContact ND1-CD 3.31Å; H588-Q1364 PolarHBondContact ND1-OE1 2.75Å | ||
| 589 | P | 30 | Very low | 26.1 | Very low | 101 Ų | 101 | 134.7 Ų | 134.7 | 66% | 0.656 | 73% | 0.732 | S | S | * | * | -163.3 | -167.9 | 52.6 | 44.1 | -18.9 | 0 | 0 | 0 | 118.3 | |||||
| 590 | I | 24.6 | Very low | 26.1 | Very low | 142 Ų | 142 | 140 Ų | 140 | 73% | 0.728 | 74% | 0.737 | S | S | * | * | trans | 45.1 | 136.5 | 130.8 | -74.8 | 166.7 | 0 | 0 | 0 | 119.1 | ||||
| 591 | M | 24.5 | Very low | 26.2 | Very low | 170 Ų | 170 | 142 Ų | 142 | 84% | 0.837 | 74% | 0.742 | S | S | * | * | cis | -158.7 | 161.8 | 5.1 | -123.2 | -176 | -35.9 | 0 | 0 | 109.3 | ||||
| 592 | G | 27.9 | Very low | 26.2 | Very low | 78 Ų | 78 | 140.4 Ų | 140.4 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | trans | -168.3 | 94.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 593 | L | 25.5 | Very low | 26.1 | Very low | 137 Ų | 137 | 138 Ų | 138 | 72% | 0.717 | 74% | 0.74 | S | S | * | * | trans | -76.2 | 119.3 | 168.3 | -75.1 | 151.6 | 0 | 0 | 0 | 109.9 | T405 | T405-L593 HydrophobicContact CG2-CD1 4.33Š| ||
| 594 | N | 25.5 | Very low | 26.1 | Very low | 144 Ų | 144 | 139.1 Ų | 139.1 | 77% | 0.77 | 74% | 0.739 | S | S | * | * | trans | 176.7 | 115.5 | 137.5 | -100.2 | -57 | 0 | 0 | 0 | 112 | ||||
| 595 | R | 29.5 | Very low | 26.1 | Very low | 246 Ų | 246 | 136.8 Ų | 136.8 | 93% | 0.928 | 74% | 0.74 | S | S | * | * | trans | -93.7 | 94.5 | 146.4 | -92.3 | -165.6 | 175 | -144.4 | 0.3 | 106.9 | V597 | R595-V597 PolarHBondContact O-N 2.87Š| ||
| 596 | S | 28.1 | Very low | 26.1 | Very low | 98 Ų | 98 | 141.5 Ų | 141.5 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | trans | -63.8 | 103 | 174.7 | -60.9 | 0 | 0 | 0 | 0 | 109.9 | Q598 | S596-Q598 PolarHBondContact O-N 3.48Š| ||
| 597 | V | 26.7 | Very low | 26.1 | Very low | 117 Ų | 117 | 142.4 Ų | 142.4 | 71% | 0.709 | 77% | 0.766 | S | S | * | * | trans | -69.3 | 111.6 | 171.8 | 167 | 0 | 0 | 0 | 0 | 108.3 | R595 M599 | R595-V597 PolarHBondContact O-N 2.87Å; V597-M599 HydrophobicContact CG1-CB 3.82Å; V597-M599 HydrophobicContact CG1-CG 4.44Å; V597-M599 PolarHBondContact O-N 2.82Å | ||
| 598 | Q | 24.6 | Very low | 26 | Very low | 191 Ų | 191 | 145.3 Ų | 145.3 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | trans | -76.3 | 55.6 | 171.6 | -167.9 | 76.3 | 4.1 | 0 | 0 | 110.6 | S596 | S596-Q598 PolarHBondContact O-N 3.48Š| ||
| 599 | M | 24.3 | Very low | 26 | Very low | 155 Ų | 155 | 145.5 Ų | 145.5 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | trans | -119.9 | 126.3 | 162.7 | -85.5 | -68.6 | -176.1 | 0 | 0 | 108.8 | V597 S601 | V597-M599 HydrophobicContact CG1-CB 3.82Å; V597-M599 HydrophobicContact CG1-CG 4.44Å; V597-M599 PolarHBondContact O-N 2.82Å; M599-S601 PolarHBondContact O-N 3.35Å | ||
| 600 | R | 26.2 | Very low | 25.8 | Very low | 252 Ų | 252 | 145.2 Ų | 145.2 | 95% | 0.951 | 79% | 0.785 | S | S | * | * | trans | -85 | 100 | -164.8 | -174.4 | 179.4 | -176.4 | 176.4 | 1.1 | 110.5 | ||||
| 601 | S | 26.5 | Very low | 25.8 | Very low | 104 Ų | 104 | 148.6 Ų | 148.6 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -59.3 | 139.6 | 179.1 | -61.4 | 0 | 0 | 0 | 0 | 113.5 | M599 | M599-S601 PolarHBondContact O-N 3.35Š| ||
| 602 | N | 25.2 | Very low | 26.1 | Very low | 126 Ų | 126 | 146.2 Ų | 146.2 | 67% | 0.674 | 79% | 0.787 | S | S | * | * | trans | 40.6 | 103.6 | 153.9 | -60.7 | -0.5 | 0 | 0 | 0 | 118.6 | N604 | N602-N604 HydrophobicContact CB-CB 4.44Š| ||
| 603 | S | 23.3 | Very low | 26.3 | Very low | 133 Ų | 133 | 148.2 Ų | 148.2 | 93% | 0.93 | 79% | 0.786 | S | S | * | * | -87.8 | 118.6 | 119.7 | -170.5 | 0 | 0 | 0 | 0 | 106.6 | |||||
| 604 | N | 25.1 | Very low | 26.3 | Very low | 116 Ų | 116 | 149 Ų | 149 | 62% | 0.62 | 79% | 0.789 | S | S | * | * | trans | -96.7 | 173.2 | -176.4 | -138.3 | 6 | 0 | 0 | 0 | 110.6 | N602 | N602-N604 HydrophobicContact CB-CB 4.44Š| ||
| 605 | N | 25.6 | Very low | 26.4 | Very low | 147 Ų | 147 | 148.3 Ų | 148.3 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | trans | 74.9 | 103.3 | 173 | -53 | -11.7 | 0 | 0 | 0 | 115.8 | ||||
| 606 | N | 26.1 | Very low | 26.4 | Very low | 162 Ų | 162 | 142 Ų | 142 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | trans | -133.1 | 102.2 | 148.3 | -128.5 | -14.2 | 0 | 0 | 0 | 108.1 | ||||
| 607 | N | 27.1 | Very low | 26.4 | Very low | 155 Ų | 155 | 144.7 Ų | 144.7 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | trans | -167.7 | 130.9 | 149.2 | -100.3 | -23.5 | 0 | 0 | 0 | 110.6 | ||||
| 608 | N | 24 | Very low | 26.5 | Very low | 151 Ų | 151 | 144.1 Ų | 144.1 | 81% | 0.807 | 79% | 0.791 | S | S | * | * | trans | 72.2 | 127.6 | 162.7 | -76.5 | -9.5 | 0 | 0 | 0 | 121.3 | ||||
| 609 | V | 25.9 | Very low | 26.5 | Very low | 130 Ų | 130 | 141.5 Ų | 141.5 | 79% | 0.788 | 79% | 0.788 | S | S | * | * | trans | 89.6 | 115.4 | 152.2 | -179.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 610 | S | 25.6 | Very low | 27.2 | Very low | 96 Ų | 96 | 140 Ų | 140 | 67% | 0.671 | 79% | 0.79 | S | S | * | * | trans | 70.1 | 110.1 | 151.8 | -67.4 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 611 | Y | 24.6 | Very low | 27 | Very low | 213 Ų | 213 | 133.5 Ų | 133.5 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | 28.6 | 130.9 | 126.2 | -65.7 | -74.5 | 0 | 0 | 0 | 120 | |||||
| 612 | P | 31.6 | Very low | 27 | Very low | 119 Ų | 119 | 133.6 Ų | 133.6 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | -149.6 | -174.1 | 80.8 | 42.2 | -26.5 | 0 | 0 | 0 | 114.6 | |||||
| 613 | P | 30.9 | Very low | 26.9 | Very low | 121 Ų | 121 | 133.2 Ų | 133.2 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | cis | -115.2 | -171.8 | -21.5 | 38.6 | -25.2 | 0 | 0 | 0 | 112.5 | ||||
| 614 | I | 25.3 | Very low | 27 | Very low | 153 Ų | 153 | 133.1 Ų | 133.1 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | -103.7 | 131.8 | -175.9 | -61.7 | 156.4 | 0 | 0 | 0 | 111.3 | ||||
| 615 | T | 28.8 | Very low | 27 | Very low | 129 Ų | 129 | 130.6 Ų | 130.6 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | -172.7 | 115.9 | 133.6 | 12.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 616 | S | 29.9 | Very low | 27.1 | Very low | 113 Ų | 113 | 132.7 Ų | 132.7 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | 58.9 | 140.6 | 158.7 | 56.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 617 | L | 27.7 | Very low | 26.9 | Very low | 155 Ų | 155 | 130 Ų | 130 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | cis | -161.9 | 131.1 | -23 | -171.4 | 58.3 | 0 | 0 | 0 | 111.7 | ||||
| 618 | S | 27.7 | Very low | 27.1 | Very low | 106 Ų | 106 | 128.6 Ų | 128.6 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | trans | 58.8 | 134.3 | 155.1 | -63.5 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 619 | T | 24.5 | Very low | 27.2 | Very low | 135 Ų | 135 | 127 Ų | 127 | 83% | 0.828 | 77% | 0.77 | S | S | * | * | trans | -85.5 | 174.3 | 163.1 | 33.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 620 | P | 39 | Very low | 27.4 | Very low | 124 Ų | 124 | 128.8 Ų | 128.8 | 81% | 0.805 | 77% | 0.767 | S | S | * | * | trans | -97.8 | 163.6 | -158.5 | 38 | -36.8 | 0 | 0 | 0 | 115.7 | ||||
| 621 | S | 22.2 | Very low | 27.4 | Very low | 115 Ų | 115 | 131.3 Ų | 131.3 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -157.7 | 148.3 | 153 | 44.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 622 | S | 26.2 | Very low | 27.5 | Very low | 106 Ų | 106 | 126 Ų | 126 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | trans | 10.6 | 149 | 162.2 | 52.3 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 623 | T | 24.3 | Very low | 27.6 | Very low | 118 Ų | 118 | 126.9 Ų | 126.9 | 72% | 0.724 | 76% | 0.755 | S | S | * | * | trans | 110.1 | 134.7 | 147.5 | -41.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 624 | T | 24.9 | Very low | 27.4 | Very low | 131 Ų | 131 | 126.1 Ų | 126.1 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | trans | 47 | 114.2 | 162.7 | 49.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 625 | G | 24.6 | Very low | 27.8 | Very low | 63 Ų | 63 | 123.5 Ų | 123.5 | 65% | 0.649 | 74% | 0.735 | S | S | * | * | 85.3 | 150.7 | 112.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 626 | F | 27.7 | Very low | 27.6 | Very low | 191 Ų | 191 | 125.1 Ų | 125.1 | 84% | 0.838 | 74% | 0.739 | S | S | * | * | trans | 57.3 | 101.9 | 172.3 | -58.4 | -82.8 | 0 | 0 | 0 | 114.9 | ||||
| 627 | S | 23.3 | Very low | 27.7 | Very low | 107 Ų | 107 | 125.3 Ų | 125.3 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | cis | 64.5 | 153.3 | 46 | -37.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 628 | I | 30.1 | Very low | 27.7 | Very low | 125 Ų | 125 | 123.8 Ų | 123.8 | 64% | 0.641 | 72% | 0.724 | S | S | * | * | trans | 77 | 106.7 | -167.3 | -50.7 | 168.5 | 0 | 0 | 0 | 110.3 | K630 | I628-K630 HydrophobicContact CG2-CB 3.99Å; I628-K630 HydrophobicContact CG2-CD 4.09Å; I628-K630 HydrophobicContact CG2-CG 3.87Å | ||
| 629 | S | 25.6 | Very low | 27.8 | Very low | 118 Ų | 118 | 125.4 Ų | 125.4 | 83% | 0.825 | 72% | 0.722 | S | S | * | * | cis | 55 | 69.5 | 15.2 | -75.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 630 | K | 31.6 | Very low | 27.8 | Very low | 166 Ų | 166 | 124.4 Ų | 124.4 | 72% | 0.722 | 72% | 0.716 | S | S | * | * | trans | -117.6 | 120.1 | 149.6 | -102.4 | 171.1 | -177.7 | 178.9 | 0 | 106.9 | I628 | I628-K630 HydrophobicContact CG2-CB 3.99Å; I628-K630 HydrophobicContact CG2-CD 4.09Å; I628-K630 HydrophobicContact CG2-CG 3.87Å | ||
| 631 | Q | 25.8 | Very low | 27.1 | Very low | 149 Ų | 149 | 125.9 Ų | 125.9 | 70% | 0.696 | 72% | 0.718 | S | S | * | * | cis | 62.3 | 127.2 | 40.5 | -140.1 | -171.1 | 20.9 | 0 | 0 | 108 | ||||
| 632 | Q | 26.2 | Very low | 27.2 | Very low | 103 Ų | 103 | 129 Ų | 129 | 48% | 0.481 | 72% | 0.719 | S | S | . | * | cis | -141.9 | -178.4 | 44.6 | -132.8 | 90.3 | 1 | 0 | 0 | 109.5 | N634 | Q632-N634 HydrophobicContact CG-CB 3.9Å; Q632-N634 VanDerWaalsContact CG-OD1 3.23Å; Q632-N634 WeakPolarHBondContact CG-OD1 3.49Å; Q632-N634 PolarHBondContact NE2-OD1 2.76Å; Q632-N634 VanDerWaalsContact NE2-OD1 3.13Å | ||
| 633 | T | 32.9 | Very low | 27.2 | Very low | 137 Ų | 137 | 130.6 Ų | 130.6 | 84% | 0.84 | 72% | 0.719 | S | S | * | * | cis | -156.7 | 149.4 | 49 | 44.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 634 | N | 27.4 | Very low | 27.4 | Very low | 105 Ų | 105 | 132.3 Ų | 132.3 | 56% | 0.561 | 72% | 0.718 | S | S | * | * | cis | -169.2 | 167.1 | -23.9 | -159.4 | 9.2 | 0 | 0 | 0 | 109.3 | Q632 | Q632-N634 HydrophobicContact CG-CB 3.9Å; Q632-N634 VanDerWaalsContact CG-OD1 3.23Å; Q632-N634 WeakPolarHBondContact CG-OD1 3.49Å; Q632-N634 PolarHBondContact NE2-OD1 2.76Å; Q632-N634 VanDerWaalsContact NE2-OD1 3.13Å | ||
| 635 | V | 33.9 | Very low | 27.5 | Very low | 98 Ų | 98 | 133.5 Ų | 133.5 | 59% | 0.594 | 71% | 0.712 | S | S | * | * | trans | 57.8 | 143.3 | 172.4 | -93.2 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 636 | D | 24.1 | Very low | 27.5 | Very low | 162 Ų | 162 | 135.6 Ų | 135.6 | 87% | 0.866 | 71% | 0.713 | S | S | * | * | cis | -111.5 | -171.7 | 20.6 | -89 | -47.5 | 0 | 0 | 0 | 116.9 | ||||
| 637 | N | 31.3 | Very low | 27.5 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 63% | 0.626 | 71% | 0.708 | S | S | * | * | trans | -127.8 | 135 | -152.2 | -94.6 | -70.8 | 0 | 0 | 0 | 116.5 | ||||
| 638 | N | 29.3 | Very low | 27.4 | Very low | 123 Ų | 123 | 132 Ų | 132 | 66% | 0.658 | 71% | 0.707 | S | S | * | * | 47.1 | 121.5 | 128 | -75.8 | -45.6 | 0 | 0 | 0 | 124.3 | |||||
| 639 | I | 28.3 | Very low | 27.1 | Very low | 140 Ų | 140 | 130.8 Ų | 130.8 | 72% | 0.718 | 71% | 0.709 | S | S | * | * | 83.9 | 139.4 | 120.4 | -65.3 | 170.9 | 0 | 0 | 0 | 121.8 | |||||
| 640 | T | 24.5 | Very low | 27 | Very low | 114 Ų | 114 | 132 Ų | 132 | 70% | 0.699 | 70% | 0.702 | S | S | * | * | trans | 83.5 | 117.8 | 160.7 | 33.6 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 641 | N | 25 | Very low | 26.7 | Very low | 156 Ų | 156 | 131.3 Ų | 131.3 | 83% | 0.834 | 70% | 0.701 | S | S | * | * | trans | 73.7 | 159.2 | 132.9 | -73.9 | -14 | 0 | 0 | 0 | 122.4 | ||||
| 642 | Q | 25 | Very low | 26.7 | Very low | 180 Ų | 180 | 130.2 Ų | 130.2 | 84% | 0.841 | 70% | 0.699 | S | S | * | * | trans | -71.2 | 132.3 | -179.2 | -48.6 | 167.9 | 34.1 | 0 | 0 | 111.6 | ||||
| 643 | L | 25.5 | Very low | 26.8 | Very low | 140 Ų | 140 | 130.7 Ų | 130.7 | 73% | 0.733 | 71% | 0.705 | S | S | * | * | -175.6 | 151.4 | 119 | -129 | 73.9 | 0 | 0 | 0 | 110.6 | |||||
| 644 | H | 28.4 | Very low | 26.6 | Very low | 153 Ų | 153 | 131.3 Ų | 131.3 | 71% | 0.708 | 70% | 0.698 | S | S | * | * | trans | 62.5 | 162.2 | 161.6 | -85 | -172.7 | 0 | 0 | 0 | 116 | ||||
| 645 | K | 26.7 | Very low | 26.8 | Very low | 156 Ų | 156 | 132.2 Ų | 132.2 | 68% | 0.678 | 70% | 0.703 | S | S | * | * | cis | -167 | 166.7 | -34.3 | -141.5 | 178.2 | -177.4 | 169.2 | 0 | 105.8 | ||||
| 646 | T | 25.5 | Very low | 26.5 | Very low | 108 Ų | 108 | 136 Ų | 136 | 66% | 0.663 | 71% | 0.711 | S | S | * | * | trans | 52.5 | 124.1 | 154.4 | 48.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 647 | T | 27.1 | Very low | 26.9 | Very low | 119 Ų | 119 | 134.5 Ų | 134.5 | 73% | 0.73 | 71% | 0.708 | S | S | * | * | trans | 62.8 | 116.8 | 139.6 | 58.7 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 648 | S | 21.9 | Very low | 26.7 | Very low | 104 Ų | 104 | 134.4 Ų | 134.4 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | 58.1 | 142.9 | 52.2 | -44.7 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 649 | S | 23.7 | Very low | 26.7 | Very low | 99 Ų | 99 | 131.6 Ų | 131.6 | 69% | 0.692 | 72% | 0.716 | S | S | * | * | trans | 63.7 | 131.1 | 153.4 | -64.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 650 | E | 23.7 | Very low | 26.8 | Very low | 142 Ų | 142 | 131.2 Ų | 131.2 | 66% | 0.664 | 72% | 0.72 | S | S | * | * | cis | 161 | -176.8 | 3.8 | -115.2 | 163.5 | 140.4 | 0 | 0 | 103.8 | ||||
| 651 | H | 25.5 | Very low | 27 | Very low | 153 Ų | 153 | 132.2 Ų | 132.2 | 71% | 0.708 | 72% | 0.72 | S | S | * | * | trans | 71.9 | 158.3 | 139.4 | -83.7 | -22.8 | 0 | 0 | 0 | 119.4 | ||||
| 652 | L | 25.7 | Very low | 27.1 | Very low | 126 Ų | 126 | 129.8 Ų | 129.8 | 66% | 0.66 | 71% | 0.711 | S | S | * | * | cis | -142.5 | 170.2 | 10.2 | -124.5 | 146.3 | 0 | 0 | 0 | 111 | ||||
| 653 | N | 27.5 | Very low | 27.3 | Very low | 113 Ų | 113 | 130 Ų | 130 | 60% | 0.604 | 71% | 0.709 | S | S | * | * | trans | 75.4 | 139.2 | 163 | -54.2 | -22.7 | 0 | 0 | 0 | 117.2 | ||||
| 654 | H | 29.4 | Very low | 27.5 | Very low | 149 Ų | 149 | 128.5 Ų | 128.5 | 69% | 0.69 | 71% | 0.711 | S | S | * | * | cis | -161 | 154.7 | -12.6 | -95.6 | -26.4 | 0 | 0 | 0 | 105 | ||||
| 655 | N | 30.1 | Very low | 27.6 | Very low | 124 Ų | 124 | 126.1 Ų | 126.1 | 66% | 0.663 | 71% | 0.711 | S | S | * | * | cis | -163.3 | 151.8 | 33.4 | -118.5 | -40.7 | 0 | 0 | 0 | 110.3 | ||||
| 656 | K | 28.8 | Very low | 27.6 | Very low | 178 Ų | 178 | 124.3 Ų | 124.3 | 77% | 0.774 | 71% | 0.713 | S | S | * | * | 43.9 | 117.7 | 122.1 | -129.4 | 174.2 | 179.8 | 175.1 | 0 | 117.6 | |||||
| 657 | V | 31.2 | Very low | 27.7 | Very low | 131 Ų | 131 | 125 Ų | 125 | 79% | 0.794 | 72% | 0.717 | S | S | * | * | -179.7 | 159.4 | 77.5 | 152.7 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 658 | S | 27.6 | Very low | 27.8 | Very low | 114 Ų | 114 | 125.7 Ų | 125.7 | 80% | 0.797 | 72% | 0.722 | S | S | * | * | cis | -179.9 | 127.7 | -40 | -173.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 659 | G | 30.5 | Very low | 28.1 | Very low | 64 Ų | 64 | 125.5 Ų | 125.5 | 66% | 0.66 | 72% | 0.72 | S | S | * | * | trans | 93.6 | 166.1 | 174 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 660 | T | 28.9 | Very low | 28.3 | Very low | 132 Ų | 132 | 125 Ų | 125 | 81% | 0.81 | 72% | 0.722 | S | S | * | * | cis | -173.1 | 151.5 | -9.8 | 26.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 661 | I | 29.2 | Very low | 28.6 | Very low | 136 Ų | 136 | 124.7 Ų | 124.7 | 70% | 0.697 | 73% | 0.73 | S | S | * | * | cis | -169.7 | 145.4 | -25.8 | -149.8 | -179.2 | 0 | 0 | 0 | 110.7 | ||||
| 662 | T | 27.9 | Very low | 28.8 | Very low | 105 Ų | 105 | 124.5 Ų | 124.5 | 64% | 0.644 | 73% | 0.734 | S | S | * | * | trans | 62.2 | 164.4 | 164.3 | 63.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 663 | K | 27.8 | Very low | 29.1 | Very low | 184 Ų | 184 | 124.7 Ų | 124.7 | 80% | 0.8 | 74% | 0.741 | S | S | * | * | cis | -164.6 | 145.5 | -25 | -98.1 | 163.7 | -173.3 | 171.9 | 0 | 104.5 | ||||
| 664 | S | 30.9 | Very low | 29.2 | Very low | 109 Ų | 109 | 124.5 Ų | 124.5 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | 155 | 152.3 | 83.5 | 41.8 | 0 | 0 | 0 | 0 | 107.1 | |||||
| 665 | S | 30.1 | Very low | 29.2 | Very low | 103 Ų | 103 | 124.8 Ų | 124.8 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | cis | -161.9 | 143.1 | -6.4 | -93.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 666 | V | 27.4 | Very low | 29.1 | Very low | 117 Ų | 117 | 124.5 Ų | 124.5 | 71% | 0.709 | 75% | 0.75 | S | S | * | * | trans | 42.1 | 114.1 | 132.2 | -172.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 667 | T | 26.2 | Very low | 29.2 | Very low | 122 Ų | 122 | 121.9 Ų | 121.9 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | cis | 72 | 113.9 | 33.1 | 80.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 668 | T | 30.6 | Very low | 29 | Very low | 135 Ų | 135 | 124.2 Ų | 124.2 | 83% | 0.828 | 75% | 0.752 | S | S | * | * | trans | -179.1 | 148.5 | 144.9 | 30.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 669 | S | 27.2 | Very low | 29.1 | Very low | 100 Ų | 100 | 127.9 Ų | 127.9 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | cis | 176.9 | 155.5 | -25.5 | 50.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 670 | A | 28.6 | Very low | 29.1 | Very low | 88 Ų | 88 | 132.2 Ų | 132.2 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | 73.7 | 149.8 | 149.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 671 | T | 30.6 | Very low | 29.2 | Very low | 135 Ų | 135 | 131.2 Ų | 131.2 | 83% | 0.828 | 77% | 0.765 | S | S | * | * | cis | -154.6 | 166.2 | -0.7 | -5.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 672 | N | 29.1 | Very low | 29.6 | Very low | 149 Ų | 149 | 130.3 Ų | 130.3 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | trans | -88.8 | 171.9 | -176 | -52.2 | -33.6 | 0 | 0 | 0 | 114.6 | ||||
| 673 | T | 32.6 | Very low | 30.4 | Very low | 130 Ų | 130 | 131.7 Ų | 131.7 | 80% | 0.798 | 77% | 0.77 | S | S | * | * | 176.8 | 105.6 | 115.5 | -69.3 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 674 | T | 29.2 | Very low | 31.2 | Very low | 109 Ų | 109 | 130.9 Ų | 130.9 | 67% | 0.669 | 76% | 0.763 | S | S | * | * | trans | 43.6 | 123.4 | 131.3 | -39.3 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 675 | M | 28.4 | Very low | 31.8 | Very low | 156 Ų | 156 | 131.9 Ų | 131.9 | 77% | 0.768 | 76% | 0.759 | S | S | * | * | 177.3 | 129.7 | 114.6 | -96.7 | -59.5 | 169.8 | 0 | 0 | 115.4 | |||||
| 676 | T | 28.2 | Very low | 32.8 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 72% | 0.718 | 75% | 0.753 | S | S | * | * | trans | 42.7 | 146.6 | 150 | 51.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 677 | T | 31.7 | Very low | 33.8 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 76% | 0.761 | 75% | 0.754 | S | S | * | * | cis | -155.4 | 178.3 | 26.9 | -23.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 678 | Q | 27.1 | Very low | 34.7 | Very low | 180 Ų | 180 | 134.3 Ų | 134.3 | 84% | 0.841 | 76% | 0.756 | S | S | * | * | trans | -44 | 144 | 177.8 | -61.7 | 167 | -28.8 | 0 | 0 | 117.1 | ||||
| 679 | M | 28.5 | Very low | 35.8 | Very low | 191 Ų | 191 | 129.4 Ų | 129.4 | 94% | 0.941 | 73% | 0.726 | S | S | * | * | -162.1 | 169.2 | 125.3 | -103.6 | -59.3 | 179.4 | 0 | 0 | 110 | |||||
| 680 | N | 31.6 | Very low | 37 | Very low | 154 Ų | 154 | 131.2 Ų | 131.2 | 82% | 0.824 | 72% | 0.724 | S | S | * | * | trans | -127.4 | 118.5 | -167.4 | -176.5 | 37.1 | 0 | 0 | 0 | 112 | ||||
| 681 | S | 31.1 | Very low | 38.6 | Very low | 112 Ų | 112 | 133.6 Ų | 133.6 | 78% | 0.783 | 71% | 0.714 | S | S | * | * | trans | -157.1 | 155.5 | 173.3 | 54.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 682 | N | 37.5 | Very low | 39.9 | Very low | 116 Ų | 116 | 128.5 Ų | 128.5 | 62% | 0.62 | 68% | 0.681 | S | S | * | * | trans | -75.3 | 143.6 | -171.2 | -63.9 | -41 | 0 | 0 | 0 | 113.2 | Y684 D685 | N682-Y684 PolarHBondContact O-N 2.85Å; N682-D685 PolarHBondContact O-N 2.93Å | ||
| 683 | V | 43.7 | Very low | 41.2 | Very low | 135 Ų | 135 | 125.2 Ų | 125.2 | 82% | 0.818 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 0.5 | 174.3 | 179.4 | 0 | 0 | 0 | 0 | 113.1 | ||
| 684 | Y | 45.8 | Very low | 42.3 | Very low | 167 Ų | 167 | 123.3 Ų | 123.3 | 66% | 0.655 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | -9 | -178.5 | -76.3 | -77.6 | 0 | 0 | 0 | 115.1 | N682 | N682-Y684 PolarHBondContact O-N 2.85Š|
| 685 | D | 43.2 | Very low | 43.5 | Very low | 129 Ų | 129 | 121.3 Ų | 121.3 | 69% | 0.69 | 64% | 0.637 | S | S | * | * | trans | -117.2 | 55.6 | -174.8 | -64.1 | -56.8 | 0 | 0 | 0 | 112.4 | N682 | N682-D685 PolarHBondContact O-N 2.93Š| ||
| 686 | L | 50.6 | Low | 44.7 | Very low | 113 Ų | 113 | 118.8 Ų | 118.8 | 59% | 0.592 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 139.3 | 160.6 | -83.4 | 81.9 | 0 | 0 | 0 | 109.5 | ||
| 687 | P | 47.4 | Very low | 45.9 | Very low | 112 Ų | 112 | 118.8 Ų | 118.8 | 73% | 0.727 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 151.6 | 179 | 29.7 | -35.3 | 0 | 0 | 0 | 111.7 | ||
| 688 | E | 47.1 | Very low | 46.9 | Very low | 169 Ų | 169 | 119 Ų | 119 | 79% | 0.79 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 129.9 | 175.5 | -65.2 | -173.3 | 152.8 | 0 | 0 | 110.6 | E690 | E688-E690 PolarHBondContact O-N 3.46Š|
| 689 | P | 52.5 | Low | 47.9 | Very low | 32 Ų | 32 | 115.3 Ų | 115.3 | 21% | 0.208 | 59% | 0.587 | C | S | . | * | P | Polyproline II helix | trans | -77 | 118 | -176.3 | 31.1 | -34.5 | 0 | 0 | 0 | 110.2 | W691 I692 Y800 | P689-W691 PolarHBondContact O-N 3.42Å; P689-I692 HydrophobicContact CG-CD1 3.85Å; P689-I692 HydrophobicContact CG-CG1 4.31Å; P689-I692 PolarHBondContact O-N 3.27Å; P689-I692 VanDerWaalsContact O-N 3.13Å; P689-Y800 HydrophobicContact CG-CE2 4.05Å |
| 690 | E | 51.6 | Low | 48.7 | Very low | 138 Ų | 138 | 114.2 Ų | 114.2 | 65% | 0.645 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -50.9 | -28.1 | -171.7 | -74.6 | -156.5 | 138.2 | 0 | 0 | 114.9 | E688 I692 T693 Q694 | E688-E690 PolarHBondContact O-N 3.46Å; E690-I692 PolarHBondContact O-N 2.78Å; E690-T693 CarbonylContact O-C 3.56Å; E690-T693 PolarHBondContact O-N 3.13Å; E690-T693 VanDerWaalsContact O-N 3.14Å; E690-Q694 WeakPolarHBondContact O-CB 3.47Å; E690-Q694 VanDerWaalsContact O-CG 3.3Å; E690-Q694 WeakPolarHBondContact O-CG 3.41Å; E690-Q694 PolarHBondContact O-N 3.23Å; E690-Q694 PolarHBondContact OE2-NE2 2.91Å |
| 691 | W | 62.9 | Low | 49.4 | Very low | 138 Ų | 138 | 111.6 Ų | 111.6 | 52% | 0.523 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -57.9 | -33.1 | -178.2 | 72.7 | -98.9 | 0 | 0 | 0 | 112.7 | P689 Q694 T695 | P689-W691 PolarHBondContact O-N 3.42Å; W691-Q694 PolarHBondContact O-N 3.22Å; W691-T695 WeakPolarHBondContact O-CB 3.26Å; W691-T695 PolarHBondContact O-N 2.97Å; W691-T695 PolarHBondContact O-OG1 3.42Å |
| 692 | I | 58.1 | Low | 50 | Low | 27 Ų | 27 | 113.2 Ų | 113.2 | 14% | 0.138 | 55% | 0.547 | C | S | . | . | H | α-helix | trans | -66.9 | -48.7 | 177.5 | -60.5 | 175.2 | 0 | 0 | 0 | 109.9 | P689 E690 Q694 T695 L696 L803 | P689-I692 HydrophobicContact CG-CD1 3.85Å; P689-I692 HydrophobicContact CG-CG1 4.31Å; P689-I692 PolarHBondContact O-N 3.27Å; P689-I692 VanDerWaalsContact O-N 3.13Å; E690-I692 PolarHBondContact O-N 2.78Å; I692-Q694 VanDerWaalsContact C-N 3.28Å; I692-Q694 PolarHBondContact O-N 2.88Å; I692-T695 PolarHBondContact O-N 3.38Å; I692-L696 HydrophobicContact CG2-CD1 4.16Å; I692-L696 WeakPolarHBondContact O-CB 3.3Å; I692-L696 PolarHBondContact O-N 3.22Å; I692-L803 HydrophobicContact CD1-CD2 3.34Å |
| 693 | T | 56.9 | Low | 50.2 | Low | 81 Ų | 81 | 110.4 Ų | 110.4 | 50% | 0.497 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.3 | -37.4 | 176.7 | -47.6 | 0 | 0 | 0 | 0 | 111 | E690 K697 | E690-T693 CarbonylContact O-C 3.56Å; E690-T693 PolarHBondContact O-N 3.13Å; E690-T693 VanDerWaalsContact O-N 3.14Å; T693-K697 WeakPolarHBondContact O-CB 3.42Å; T693-K697 PolarHBondContact O-N 3.16Å |
| 694 | Q | 54.6 | Low | 50.2 | Low | 89 Ų | 89 | 108.8 Ų | 108.8 | 42% | 0.416 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -72.9 | -40.4 | 177.2 | -70.8 | 173.8 | 7.5 | 0 | 0 | 112.6 | E690 W691 I692 K697 Q698 | E690-Q694 WeakPolarHBondContact O-CB 3.47Å; E690-Q694 VanDerWaalsContact O-CG 3.3Å; E690-Q694 WeakPolarHBondContact O-CG 3.41Å; E690-Q694 PolarHBondContact O-N 3.23Å; E690-Q694 PolarHBondContact OE2-NE2 2.91Å; W691-Q694 PolarHBondContact O-N 3.22Å; I692-Q694 VanDerWaalsContact C-N 3.28Å; I692-Q694 PolarHBondContact O-N 2.88Å; Q694-K697 PolarHBondContact O-N 3.17Å; Q694-Q698 VanDerWaalsContact O-CB 3.29Å; Q694-Q698 WeakPolarHBondContact O-CB 3.36Å; Q694-Q698 VanDerWaalsContact O-CG 3.24Å; Q694-Q698 WeakPolarHBondContact O-CG 3.47Å; Q694-Q698 PolarHBondContact O-N 3.3Å |
| 695 | T | 55.4 | Low | 49.9 | Very low | 68 Ų | 68 | 105.4 Ų | 105.4 | 42% | 0.417 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.4 | -44.9 | 175.6 | -61 | 0 | 0 | 0 | 0 | 111.2 | W691 I692 Q698 Y699 | W691-T695 WeakPolarHBondContact O-CB 3.26Å; W691-T695 PolarHBondContact O-N 2.97Å; W691-T695 PolarHBondContact O-OG1 3.42Å; I692-T695 PolarHBondContact O-N 3.38Å; T695-Q698 PolarHBondContact O-N 2.86Å; T695-Y699 PolarHBondContact O-N 3.47Å |
| 696 | L | 53.1 | Low | 49.7 | Very low | 102 Ų | 102 | 105.4 Ų | 105.4 | 53% | 0.534 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.9 | -42.5 | 173.7 | -75.8 | 171.4 | 0 | 0 | 0 | 111.4 | I692 Y699 Y700 | I692-L696 HydrophobicContact CG2-CD1 4.16Å; I692-L696 WeakPolarHBondContact O-CB 3.3Å; I692-L696 PolarHBondContact O-N 3.22Å; L696-Y699 PolarHBondContact O-N 3.02Å; L696-Y700 WeakPolarHBondContact O-CB 3.42Å; L696-Y700 PolarHBondContact O-N 3.45Å |
| 697 | K | 53.9 | Low | 48.8 | Very low | 118 Ų | 118 | 103.8 Ų | 103.8 | 51% | 0.513 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 175.4 | 179.6 | 178 | 170.9 | -176.4 | 0 | 112.4 | T693 Q694 Y699 Y700 E701 | T693-K697 WeakPolarHBondContact O-CB 3.42Å; T693-K697 PolarHBondContact O-N 3.16Å; Q694-K697 PolarHBondContact O-N 3.17Å; K697-Y699 VanDerWaalsContact C-N 3.34Å; K697-Y700 PolarHBondContact O-N 2.91Å; K697-E701 WeakPolarHBondContact CE-OE1 3.45Å; K697-E701 HydrophobicContact CG-CG 4.37Å; K697-E701 IonicContact NZ-OE1 2.68Å; K697-E701 WeakPolarHBondContact O-CB 3.47Å; K697-E701 WeakPolarHBondContact O-CG 3.45Å; K697-E701 PolarHBondContact O-N 3.43Å |
| 698 | Q | 52.3 | Low | 47.9 | Very low | 128 Ų | 128 | 107.6 Ų | 107.6 | 60% | 0.598 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63 | -40.4 | 174.6 | -79.7 | 175.5 | 1.5 | 0 | 0 | 111.2 | Q694 T695 E701 Y702 | Q694-Q698 VanDerWaalsContact O-CB 3.29Å; Q694-Q698 WeakPolarHBondContact O-CB 3.36Å; Q694-Q698 VanDerWaalsContact O-CG 3.24Å; Q694-Q698 WeakPolarHBondContact O-CG 3.47Å; Q694-Q698 PolarHBondContact O-N 3.3Å; T695-Q698 PolarHBondContact O-N 2.86Å; Q698-E701 PolarHBondContact O-N 2.97Å; Q698-Y702 VanDerWaalsContact O-CB 3.24Å; Q698-Y702 WeakPolarHBondContact O-CB 3.41Å; Q698-Y702 PolarHBondContact O-N 3.08Å |
| 699 | Y | 47.3 | Very low | 47.4 | Very low | 102 Ų | 102 | 104.8 Ų | 104.8 | 40% | 0.4 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.1 | -38.8 | 174.2 | -165.1 | -88.2 | 0 | 0 | 0 | 112.1 | T695 L696 K697 S703 F782 | T695-Y699 PolarHBondContact O-N 3.47Å; L696-Y699 PolarHBondContact O-N 3.02Å; K697-Y699 VanDerWaalsContact C-N 3.34Å; Y699-S703 WeakPolarHBondContact O-CB 3.28Å; Y699-S703 PolarHBondContact O-N 2.76Å; Y699-S703 PolarHBondContact O-OG 2.93Å; Y699-F782 HydrophobicContact CE2-CD2 4.34Å |
| 700 | Y | 46.6 | Very low | 46.1 | Very low | 168 Ų | 168 | 110.7 Ų | 110.7 | 66% | 0.659 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.7 | -44.3 | 174.3 | -127.5 | -97 | 0 | 0 | 0 | 112 | L696 K697 S703 I704 | L696-Y700 WeakPolarHBondContact O-CB 3.42Å; L696-Y700 PolarHBondContact O-N 3.45Å; K697-Y700 PolarHBondContact O-N 2.91Å; Y700-S703 PolarHBondContact O-N 3.44Å; Y700-I704 HydrophobicContact CD1-CD1 3.69Å; Y700-I704 HydrophobicContact CD1-CG1 4.49Å; Y700-I704 HydrophobicContact CE1-CD1 4.18Å; Y700-I704 WeakPolarHBondContact O-CB 3.4Å; Y700-I704 VanDerWaalsContact O-CG1 3.27Å; Y700-I704 WeakPolarHBondContact O-CG1 3.44Å; Y700-I704 PolarHBondContact O-N 3.5Å |
| 701 | E | 46.1 | Very low | 45 | Very low | 100 Ų | 100 | 111.2 Ų | 111.2 | 47% | 0.467 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.4 | -36 | 176.2 | -74.9 | -179.7 | -179.8 | 0 | 0 | 111.8 | K697 Q698 I704 T705 | K697-E701 WeakPolarHBondContact CE-OE1 3.45Å; K697-E701 HydrophobicContact CG-CG 4.37Å; K697-E701 IonicContact NZ-OE1 2.68Å; K697-E701 WeakPolarHBondContact O-CB 3.47Å; K697-E701 WeakPolarHBondContact O-CG 3.45Å; K697-E701 PolarHBondContact O-N 3.43Å; Q698-E701 PolarHBondContact O-N 2.97Å; E701-I704 PolarHBondContact O-N 3.4Å; E701-T705 VanDerWaalsContact O-CB 3.29Å; E701-T705 WeakPolarHBondContact O-CB 3.49Å; E701-T705 WeakPolarHBondContact O-CG2 3.45Å; E701-T705 PolarHBondContact O-N 2.94Å; E701-T705 PolarHBondContact O-OG1 3.06Å |
| 702 | Y | 43.9 | Very low | 43.4 | Very low | 146 Ų | 146 | 109.5 Ų | 109.5 | 57% | 0.573 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.5 | -43.9 | 172.4 | -166.2 | -88.9 | 0 | 0 | 0 | 111.4 | Q698 T705 H706 | Q698-Y702 VanDerWaalsContact O-CB 3.24Å; Q698-Y702 WeakPolarHBondContact O-CB 3.41Å; Q698-Y702 PolarHBondContact O-N 3.08Å; Y702-T705 WeakPolarHBondContact CA-OG1 3.49Å; Y702-T705 PolarHBondContact O-OG1 3.49Å; Y702-T705 VanDerWaalsContact O-OG1 3.08Å; Y702-H706 AromaticContact CE1-CE1 3.84Å; Y702-H706 AromaticContact CE1-ND1 3.95Å; Y702-H706 AromaticContact CE2-CE1 3.71Å; Y702-H706 AromaticContact CZ-CE1 3.53Å; Y702-H706 PolarHBondContact O-N 3.35Å; Y702-H706 PolarHBondContact O-ND1 2.97Å |
| 703 | S | 40.4 | Very low | 41.7 | Very low | 56 Ų | 56 | 114.3 Ų | 114.3 | 39% | 0.392 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.2 | -45.8 | 175.3 | -58 | 0 | 0 | 0 | 0 | 111.8 | Y699 Y700 S707 | Y699-S703 WeakPolarHBondContact O-CB 3.28Å; Y699-S703 PolarHBondContact O-N 2.76Å; Y699-S703 PolarHBondContact O-OG 2.93Å; Y700-S703 PolarHBondContact O-N 3.44Å; S703-S707 PolarHBondContact O-N 2.98Å; S703-S707 VanDerWaalsContact O-N 3.16Å; S703-S707 PolarHBondContact O-OG 2.93Å |
| 704 | I | 43.7 | Very low | 40.2 | Very low | 102 Ų | 102 | 113.7 Ų | 113.7 | 52% | 0.523 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -70.8 | -36.9 | -179.1 | -72.7 | 170.6 | 0 | 0 | 0 | 112.4 | Y700 E701 H706 S707 | Y700-I704 HydrophobicContact CD1-CD1 3.69Å; Y700-I704 HydrophobicContact CD1-CG1 4.49Å; Y700-I704 HydrophobicContact CE1-CD1 4.18Å; Y700-I704 WeakPolarHBondContact O-CB 3.4Å; Y700-I704 VanDerWaalsContact O-CG1 3.27Å; Y700-I704 WeakPolarHBondContact O-CG1 3.44Å; Y700-I704 PolarHBondContact O-N 3.5Å; E701-I704 PolarHBondContact O-N 3.4Å; I704-H706 VanDerWaalsContact C-N 3.32Å; I704-H706 PolarHBondContact O-N 2.71Å; I704-S707 WeakPolarHBondContact CA-OG 3.49Å; I704-S707 PolarHBondContact O-N 3.41Å; I704-S707 PolarHBondContact O-OG 3.03Å; I704-S707 VanDerWaalsContact O-OG 3.07Å |
| 705 | T | 41.1 | Very low | 38.7 | Very low | 95 Ų | 95 | 116.6 Ų | 116.6 | 58% | 0.583 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -70.6 | -27.6 | 179.7 | 47.7 | 0 | 0 | 0 | 0 | 113 | E701 Y702 | E701-T705 VanDerWaalsContact O-CB 3.29Å; E701-T705 WeakPolarHBondContact O-CB 3.49Å; E701-T705 WeakPolarHBondContact O-CG2 3.45Å; E701-T705 PolarHBondContact O-N 2.94Å; E701-T705 PolarHBondContact O-OG1 3.06Å; Y702-T705 WeakPolarHBondContact CA-OG1 3.49Å; Y702-T705 PolarHBondContact O-OG1 3.49Å; Y702-T705 VanDerWaalsContact O-OG1 3.08Å |
| 706 | H | 39.2 | Very low | 37.3 | Very low | 130 Ų | 130 | 121.4 Ų | 121.4 | 60% | 0.602 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -86.6 | -19.1 | 173.6 | -70.8 | 72.8 | 0 | 0 | 0 | 113.2 | Y702 I704 K708 | Y702-H706 AromaticContact CE1-CE1 3.84Å; Y702-H706 AromaticContact CE1-ND1 3.95Å; Y702-H706 AromaticContact CE2-CE1 3.71Å; Y702-H706 AromaticContact CZ-CE1 3.53Å; Y702-H706 PolarHBondContact O-N 3.35Å; Y702-H706 PolarHBondContact O-ND1 2.97Å; I704-H706 VanDerWaalsContact C-N 3.32Å; I704-H706 PolarHBondContact O-N 2.71Å; H706-K708 PolarHBondContact O-N 3.34Å; H706-K708 VanDerWaalsContact O-N 3.15Å |
| 707 | S | 30.4 | Very low | 36 | Very low | 78 Ų | 78 | 119.9 Ų | 119.9 | 55% | 0.545 | 63% | 0.631 | S | S | . | * | trans | -85.8 | 67.1 | 173 | 69 | 0 | 0 | 0 | 0 | 112.6 | S703 I704 P709 | S703-S707 PolarHBondContact O-N 2.98Å; S703-S707 VanDerWaalsContact O-N 3.16Å; S703-S707 PolarHBondContact O-OG 2.93Å; I704-S707 WeakPolarHBondContact CA-OG 3.49Å; I704-S707 PolarHBondContact O-N 3.41Å; I704-S707 PolarHBondContact O-OG 3.03Å; I704-S707 VanDerWaalsContact O-OG 3.07Å; S707-P709 WeakPolarHBondContact O-CD 3.2Å | ||
| 708 | K | 28.3 | Very low | 34.8 | Very low | 192 Ų | 192 | 117.3 Ų | 117.3 | 84% | 0.835 | 64% | 0.637 | S | S | * | * | trans | -109 | 102.4 | 178.4 | -152.3 | 170.8 | -168.5 | 174.4 | 0 | 112 | H706 | H706-K708 PolarHBondContact O-N 3.34Å; H706-K708 VanDerWaalsContact O-N 3.15Å | ||
| 709 | P | 36.2 | Very low | 33.6 | Very low | 111 Ų | 111 | 116.2 Ų | 116.2 | 72% | 0.721 | 63% | 0.632 | S | S | * | * | trans | -86.2 | 139.5 | -172.5 | 33.4 | -35.4 | 0 | 0 | 0 | 113.6 | S707 | S707-P709 WeakPolarHBondContact O-CD 3.2Š| ||
| 710 | N | 27.1 | Very low | 32.5 | Very low | 155 Ų | 155 | 115.6 Ų | 115.6 | 83% | 0.829 | 64% | 0.635 | S | S | * | * | trans | 178.6 | 145.3 | 158.1 | -91.3 | -35.3 | 0 | 0 | 0 | 106.2 | ||||
| 711 | I | 28.6 | Very low | 31.6 | Very low | 149 Ų | 149 | 114.9 Ų | 114.9 | 76% | 0.764 | 64% | 0.638 | S | S | * | * | cis | -147 | 164.3 | 11.8 | -125.1 | 155.3 | 0 | 0 | 0 | 108.7 | ||||
| 712 | P | 28.5 | Very low | 30.5 | Very low | 103 Ų | 103 | 114.6 Ų | 114.6 | 67% | 0.669 | 65% | 0.647 | S | S | * | * | trans | -98.2 | 166 | -155 | 38 | -38 | 0 | 0 | 0 | 116.3 | ||||
| 713 | C | 22.9 | Very low | 29.7 | Very low | 128 Ų | 128 | 112.3 Ų | 112.3 | 87% | 0.865 | 65% | 0.652 | S | S | * | * | 165.3 | 129.1 | 123.8 | -91.7 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 714 | G | 24.2 | Very low | 28.9 | Very low | 67 Ų | 67 | 115.2 Ų | 115.2 | 69% | 0.691 | 67% | 0.668 | S | S | * | * | 64.1 | 106.6 | 115.7 | 0 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 715 | L | 24.6 | Very low | 28.2 | Very low | 151 Ų | 151 | 116.6 Ų | 116.6 | 79% | 0.791 | 68% | 0.681 | S | S | * | * | 72.3 | 119.8 | 124.3 | -59 | 177.1 | 0 | 0 | 0 | 123.9 | |||||
| 716 | F | 25.2 | Very low | 27.5 | Very low | 169 Ų | 169 | 117.6 Ų | 117.6 | 74% | 0.741 | 69% | 0.687 | S | S | * | * | trans | 78.2 | 114.1 | 134.6 | -73.7 | -48.7 | 0 | 0 | 0 | 124.9 | ||||
| 717 | S | 25.2 | Very low | 27.1 | Very low | 70 Ų | 70 | 118.1 Ų | 118.1 | 49% | 0.49 | 70% | 0.7 | S | S | . | * | 77.5 | 90.1 | 123.4 | -57.7 | 0 | 0 | 0 | 0 | 122.6 | T1702 T1703 | S717-T1702 WeakPolarHBondContact O-CB 3.45Å; S717-T1702 PolarHBondContact O-OG1 3.12Å; S717-T1703 VanDerWaalsContact O-CG2 3.26Å; S717-T1703 WeakPolarHBondContact O-CG2 3.32Å | |||
| 718 | G | 28.6 | Very low | 26.9 | Very low | 63 Ų | 63 | 120.7 Ų | 120.7 | 65% | 0.649 | 71% | 0.713 | S | S | * | * | 100 | -149.3 | 127.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | T1702 | G718-T1702 WeakPolarHBondContact CA-OG1 3.45Š| |||
| 719 | E | 26.9 | Very low | 27 | Very low | 105 Ų | 105 | 116.4 Ų | 116.4 | 49% | 0.491 | 71% | 0.713 | S | S | . | * | trans | -106.6 | 167.9 | -145.4 | -61.5 | 167.9 | 78.4 | 0 | 0 | 117 | T1701 T1702 | E719-T1701 CarbonylContact C-O 3.53Å; E719-T1701 WeakPolarHBondContact CB-O 3.29Å; E719-T1701 HydrophobicContact CG-CG2 4.42Å; E719-T1701 CarbonylContact O-C 3.12Å; E719-T1701 WeakPolarHBondContact OE2-CB 3.39Å; E719-T1701 WeakPolarHBondContact OE2-CG2 3.48Å; E719-T1701 PolarHBondContact OE2-OG1 3.37Å; E719-T1702 PolarHBondContact N-OG1 3.49Å; E719-T1702 PolarHBondContact O-N 2.8Å | ||
| 720 | L | 25.8 | Very low | 26.6 | Very low | 89 Ų | 89 | 116.8 Ų | 116.8 | 47% | 0.466 | 71% | 0.713 | S | S | . | * | trans | 111.6 | 144.2 | 136.9 | -91.5 | -175.1 | 0 | 0 | 0 | 124.5 | T1700 T1701 | L720-T1700 VanDerWaalsContact CD1-CB 3.48Å; L720-T1700 WeakPolarHBondContact CD1-O 3.44Å; L720-T1701 WeakPolarHBondContact CB-O 3.32Å | ||
| 721 | H | 26.6 | Very low | 26.6 | Very low | 154 Ų | 154 | 117.1 Ų | 117.1 | 71% | 0.713 | 72% | 0.715 | S | S | * | * | trans | 72.2 | 106.5 | 160.3 | -70.4 | -53.2 | 0 | 0 | 0 | 122.8 | ||||
| 722 | S | 23.9 | Very low | 26.6 | Very low | 93 Ų | 93 | 113.9 Ų | 113.9 | 65% | 0.65 | 72% | 0.718 | S | S | * | * | trans | -41.3 | 160.9 | 146.4 | 55.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 723 | S | 26 | Very low | 26.5 | Very low | 99 Ų | 99 | 113.1 Ų | 113.1 | 69% | 0.692 | 73% | 0.729 | S | S | * | * | -166.8 | 142.1 | 53 | -49.1 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 724 | T | 24.6 | Very low | 26.8 | Very low | 116 Ų | 116 | 111 Ų | 111 | 71% | 0.712 | 73% | 0.729 | S | S | * | * | 30.1 | 122.5 | 128.5 | -45.8 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 725 | T | 29.2 | Very low | 26.9 | Very low | 132 Ų | 132 | 112 Ų | 112 | 81% | 0.81 | 74% | 0.74 | S | S | * | * | -168.7 | 111 | 115.3 | 16.9 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 726 | T | 26.1 | Very low | 27.1 | Very low | 116 Ų | 116 | 108.4 Ų | 108.4 | 71% | 0.712 | 74% | 0.738 | S | S | * | * | trans | 13.1 | 138.1 | 139.9 | 55 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 727 | T | 30.4 | Very low | 27.3 | Very low | 141 Ų | 141 | 107.5 Ų | 107.5 | 87% | 0.865 | 75% | 0.747 | S | S | * | * | -150.9 | 149.8 | 112.8 | -2.4 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 728 | T | 26.3 | Very low | 27.5 | Very low | 132 Ų | 132 | 107.3 Ų | 107.3 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | trans | -57.2 | 150.1 | -176 | 49.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 729 | A | 31 | Very low | 27.5 | Very low | 102 Ų | 102 | 111.4 Ų | 111.4 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | -170.5 | 168.4 | 123 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 730 | T | 27.2 | Very low | 27.7 | Very low | 119 Ų | 119 | 113.2 Ų | 113.2 | 73% | 0.73 | 78% | 0.775 | S | S | * | * | trans | -125.4 | 168 | -173 | 51.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 731 | N | 27.6 | Very low | 27.8 | Very low | 162 Ų | 162 | 120.6 Ų | 120.6 | 87% | 0.866 | 80% | 0.797 | S | S | * | * | trans | 85.5 | 148.3 | 163.1 | -50.1 | -37.6 | 0 | 0 | 0 | 118.8 | ||||
| 732 | G | 28.6 | Very low | 28 | Very low | 80 Ų | 80 | 117 Ų | 117 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | 118.7 | 96.3 | 156.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 733 | G | 26.5 | Very low | 28.2 | Very low | 88 Ų | 88 | 118.6 Ų | 118.6 | 91% | 0.907 | 81% | 0.813 | S | S | * | * | trans | -88.3 | 170.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 734 | G | 28.2 | Very low | 28.4 | Very low | 84 Ų | 84 | 117.7 Ų | 117.7 | 87% | 0.866 | 82% | 0.818 | S | S | * | * | trans | 143.6 | 124.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 735 | G | 27.3 | Very low | 28.7 | Very low | 88 Ų | 88 | 115.6 Ų | 115.6 | 91% | 0.907 | 82% | 0.82 | S | S | * | * | trans | -92.7 | 168 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 736 | G | 28.7 | Very low | 28.7 | Very low | 74 Ų | 74 | 115.5 Ų | 115.5 | 76% | 0.763 | 82% | 0.819 | S | S | * | * | trans | 173.9 | 98.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 737 | T | 28.1 | Very low | 28.7 | Very low | 151 Ų | 151 | 116.7 Ų | 116.7 | 93% | 0.926 | 83% | 0.826 | S | S | * | * | trans | -16.1 | 140.5 | 150.7 | 51.3 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 738 | G | 30.4 | Very low | 28.6 | Very low | 65 Ų | 65 | 113 Ų | 113 | 67% | 0.67 | 82% | 0.816 | S | S | * | * | trans | 147.2 | 107 | 147 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 739 | D | 29.1 | Very low | 28.7 | Very low | 150 Ų | 150 | 113.1 Ų | 113.1 | 80% | 0.802 | 82% | 0.817 | S | S | * | * | 48.3 | 143.4 | 108.6 | -68.1 | 15.9 | 0 | 0 | 0 | 121.4 | |||||
| 740 | L | 29.3 | Very low | 28.5 | Very low | 143 Ų | 143 | 115.6 Ų | 115.6 | 75% | 0.749 | 82% | 0.815 | S | S | * | * | cis | -173 | 179.1 | -9.1 | -116.8 | 175.1 | 0 | 0 | 0 | 109.3 | ||||
| 741 | R | 29.8 | Very low | 28.9 | Very low | 244 Ų | 244 | 114.7 Ų | 114.7 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | trans | 77.7 | 147.2 | 170.3 | -53.7 | 168.6 | 170.3 | -106.6 | -5.9 | 115.4 | ||||
| 742 | G | 30.7 | Very low | 29 | Very low | 77 Ų | 77 | 117 Ų | 117 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | cis | 165.5 | 173.7 | -2.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 743 | S | 28 | Very low | 28.9 | Very low | 128 Ų | 128 | 120.2 Ų | 120.2 | 90% | 0.895 | 81% | 0.812 | S | S | * | * | cis | -168.1 | 155.6 | 0.7 | -173.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 744 | G | 30.1 | Very low | 28.9 | Very low | 79 Ų | 79 | 125.5 Ų | 125.5 | 81% | 0.814 | 81% | 0.81 | S | S | * | * | trans | 90.5 | 151.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 745 | G | 30.2 | Very low | 29.1 | Very low | 72 Ų | 72 | 128.6 Ų | 128.6 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | cis | 143.1 | 153.9 | 2.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 746 | V | 29.7 | Very low | 29.1 | Very low | 130 Ų | 130 | 133.1 Ų | 133.1 | 79% | 0.788 | 80% | 0.799 | S | S | * | * | cis | -160.2 | 143.8 | 2.5 | -163.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 747 | T | 26.3 | Very low | 29.1 | Very low | 142 Ų | 142 | 134 Ų | 134 | 87% | 0.871 | 79% | 0.794 | S | S | * | * | trans | 60.1 | 147.4 | 159.2 | 39.6 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 748 | G | 27.9 | Very low | 29.2 | Very low | 63 Ų | 63 | 132 Ų | 132 | 65% | 0.649 | 78% | 0.778 | S | S | * | * | cis | 166.1 | -176.5 | -5.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 749 | V | 28.1 | Very low | 29.3 | Very low | 135 Ų | 135 | 138.4 Ų | 138.4 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | 74.3 | 100.4 | 174.2 | -168.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 750 | L | 25.8 | Very low | 29.3 | Very low | 154 Ų | 154 | 138.3 Ų | 138.3 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | 74.7 | 151.8 | 70.4 | -67 | 171.1 | 0 | 0 | 0 | 114.7 | |||||
| 751 | P | 36.1 | Very low | 29.3 | Very low | 99 Ų | 99 | 139.6 Ų | 139.6 | 64% | 0.643 | 79% | 0.789 | S | S | * | * | -137.7 | 170.7 | -59 | 38.8 | -21.8 | 0 | 0 | 0 | 113 | |||||
| 752 | F | 29.3 | Very low | 29.2 | Very low | 211 Ų | 211 | 136.4 Ų | 136.4 | 93% | 0.925 | 79% | 0.789 | S | S | * | * | trans | -169.6 | 140.6 | 148.7 | -104.2 | -62.4 | 0 | 0 | 0 | 112.1 | ||||
| 753 | D | 26.8 | Very low | 28.9 | Very low | 148 Ų | 148 | 135.9 Ų | 135.9 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | -92.3 | 121.7 | -173.7 | -48.5 | -84.2 | 0 | 0 | 0 | 113.4 | ||||
| 754 | F | 26.5 | Very low | 28.8 | Very low | 199 Ų | 199 | 135.3 Ų | 135.3 | 87% | 0.873 | 78% | 0.778 | S | S | * | * | trans | -157.8 | 163.5 | 151.6 | -134.2 | -104.6 | 0 | 0 | 0 | 109.6 | ||||
| 755 | E | 32.5 | Very low | 28.4 | Very low | 148 Ų | 148 | 139.4 Ų | 139.4 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | trans | 66.3 | 27.1 | 180 | -58.5 | -138 | 127.3 | 0 | 0 | 118.6 | S757 | E755-S757 VanDerWaalsContact C-N 3.31Å; E755-S757 PolarHBondContact O-N 3.31Å | ||
| 756 | Q | 27.9 | Very low | 28.2 | Very low | 183 Ų | 183 | 144.9 Ų | 144.9 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | 41.1 | 163 | -157.2 | 154.4 | 32.6 | 0 | 0 | 112.9 | ||
| 757 | S | 28 | Very low | 28.1 | Very low | 94 Ų | 94 | 145.7 Ų | 145.7 | 66% | 0.657 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -148.9 | 8.9 | 175.6 | 78.1 | 0 | 0 | 0 | 0 | 115.6 | E755 | E755-S757 VanDerWaalsContact C-N 3.31Å; E755-S757 PolarHBondContact O-N 3.31Å |
| 758 | L | 30.9 | Very low | 28 | Very low | 109 Ų | 109 | 144.7 Ų | 144.7 | 57% | 0.571 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -97.3 | -15.7 | 179.2 | -154.1 | 74.6 | 0 | 0 | 0 | 113.3 | ||
| 759 | F | 32.8 | Very low | 27.9 | Very low | 198 Ų | 198 | 146.9 Ų | 146.9 | 87% | 0.868 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -107.8 | -14.7 | -173.6 | -101.4 | -85.7 | 0 | 0 | 0 | 115.6 | ||
| 760 | D | 28.8 | Very low | 27.7 | Very low | 148 Ų | 148 | 147.5 Ų | 147.5 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -95.1 | 7.4 | -177.9 | -76.1 | -41 | 0 | 0 | 0 | 114.1 | ||
| 761 | Q | 28.2 | Very low | 27.8 | Very low | 170 Ų | 170 | 148.8 Ų | 148.8 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -129.8 | 56.9 | -175.5 | -159.1 | 174.5 | -6.4 | 0 | 0 | 114.5 | ||
| 762 | L | 28.7 | Very low | 27.3 | Very low | 178 Ų | 178 | 148.2 Ų | 148.2 | 93% | 0.932 | 78% | 0.784 | S | S | * | * | trans | -166.7 | 108.9 | 142.4 | -104.5 | 169.3 | 0 | 0 | 0 | 108.8 | ||||
| 763 | G | 23.9 | Very low | 27.1 | Very low | 65 Ų | 65 | 145.7 Ų | 145.7 | 67% | 0.67 | 78% | 0.775 | S | S | * | * | trans | -109.1 | 175 | -180 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 764 | C | 25.4 | Very low | 27.1 | Very low | 117 Ų | 117 | 146.4 Ų | 146.4 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | 68.6 | 147.5 | 179.9 | -61.7 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 765 | E | 23.7 | Very low | 27.3 | Very low | 165 Ų | 165 | 143.1 Ų | 143.1 | 77% | 0.771 | 78% | 0.781 | S | S | * | * | cis | -170.4 | 156.9 | -36.2 | -123.3 | 166 | 152.5 | 0 | 0 | 108.2 | ||||
| 766 | E | 24.1 | Very low | 27.1 | Very low | 187 Ų | 187 | 144.5 Ų | 144.5 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | 61.6 | 156.4 | 177.6 | -50.9 | -172 | 124.8 | 0 | 0 | 115.3 | ||||
| 767 | I | 28 | Very low | 27.2 | Very low | 146 Ų | 146 | 143.7 Ų | 143.7 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | cis | -118.4 | 133.4 | 0.2 | -64.1 | 167.1 | 0 | 0 | 0 | 108.9 | ||||
| 768 | S | 23.8 | Very low | 27.3 | Very low | 121 Ų | 121 | 146 Ų | 146 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | -114.7 | 112.9 | 162.5 | -73.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 769 | T | 25.8 | Very low | 27.4 | Very low | 109 Ų | 109 | 145.7 Ų | 145.7 | 67% | 0.669 | 80% | 0.8 | S | S | * | * | trans | -162.4 | 139.1 | 155.7 | 20.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 770 | N | 24.8 | Very low | 27.6 | Very low | 148 Ų | 148 | 143.8 Ų | 143.8 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | trans | 64.5 | 81.1 | 155.4 | -54.5 | -23.3 | 0 | 0 | 0 | 118.7 | ||||
| 771 | L | 27.3 | Very low | 28.1 | Very low | 182 Ų | 182 | 143.9 Ų | 143.9 | 95% | 0.953 | 79% | 0.794 | S | S | * | * | -155.6 | 97.1 | 124.9 | -108.3 | 167.8 | 0 | 0 | 0 | 109 | |||||
| 772 | S | 25.9 | Very low | 28.9 | Very low | 86 Ų | 86 | 140.4 Ų | 140.4 | 60% | 0.601 | 78% | 0.777 | S | S | * | * | trans | -95.9 | 160.7 | 172.4 | -164.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 773 | E | 26.1 | Very low | 30.6 | Very low | 159 Ų | 159 | 135.9 Ų | 135.9 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | trans | 50.2 | 93.6 | 166.5 | -67.2 | 136.9 | -104.8 | 0 | 0 | 115.3 | ||||
| 774 | N | 26.4 | Very low | 32.4 | Very low | 163 Ų | 163 | 136.7 Ų | 136.7 | 87% | 0.872 | 75% | 0.75 | S | S | * | * | -172.5 | 116.6 | 68.3 | -84.7 | -73.5 | 0 | 0 | 0 | 112.4 | |||||
| 775 | S | 30.4 | Very low | 34.1 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 90% | 0.902 | 74% | 0.742 | S | S | * | * | trans | -160.3 | 154.5 | 152.7 | -166.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 776 | M | 28.1 | Very low | 36.3 | Very low | 178 Ų | 178 | 130 Ų | 130 | 88% | 0.877 | 72% | 0.715 | S | S | * | * | trans | -88.5 | 158.1 | -168.2 | -71.1 | -171.7 | 174.7 | 0 | 0 | 114.7 | ||||
| 777 | N | 29.9 | Very low | 38.7 | Very low | 166 Ų | 166 | 124.4 Ų | 124.4 | 89% | 0.888 | 69% | 0.691 | S | S | * | * | trans | -45.5 | 132.2 | 178.3 | -61.5 | -80.3 | 0 | 0 | 0 | 115 | ||||
| 778 | L | 30.5 | Very low | 40.6 | Very low | 142 Ų | 142 | 118.2 Ų | 118.2 | 74% | 0.743 | 66% | 0.659 | S | S | * | * | trans | -144.8 | 131.5 | 152.6 | -146.8 | 70.9 | 0 | 0 | 0 | 108.9 | ||||
| 779 | P | 33.3 | Very low | 42.9 | Very low | 103 Ų | 103 | 117.7 Ų | 117.7 | 67% | 0.669 | 65% | 0.646 | S | S | * | * | trans | -84.7 | 137.9 | -165.5 | 31.5 | -35.5 | 0 | 0 | 0 | 114 | Q781 | P779-Q781 VanDerWaalsContact C-N 3.3Å; P779-Q781 PolarHBondContact O-N 3.4Å | ||
| 780 | N | 35.6 | Very low | 45.3 | Very low | 158 Ų | 158 | 116.6 Ų | 116.6 | 85% | 0.845 | 63% | 0.632 | S | S | * | * | trans | 37.5 | 43.6 | 156.8 | -66.3 | 14.8 | 0 | 0 | 0 | 117.8 | ||||
| 781 | Q | 39.3 | Very low | 47.8 | Very low | 150 Ų | 150 | 110.5 Ų | 110.5 | 70% | 0.701 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 139.9 | 162.5 | -68.4 | -172.9 | -4.2 | 0 | 0 | 109.9 | P779 T783 | P779-Q781 VanDerWaalsContact C-N 3.3Å; P779-Q781 PolarHBondContact O-N 3.4Å; Q781-T783 PolarHBondContact O-N 2.97Å; Q781-T783 VanDerWaalsContact O-N 3.13Å |
| 782 | F | 46.9 | Very low | 50.1 | Low | 96 Ų | 96 | 103.7 Ų | 103.7 | 42% | 0.421 | 57% | 0.566 | S | S | . | * | P | Polyproline II helix | trans | -52.8 | 117.1 | -179.3 | -135.2 | -130.4 | 0 | 0 | 0 | 109.9 | Y699 A786 L787 F790 | Y699-F782 HydrophobicContact CE2-CD2 4.34Å; F782-A786 HydrophobicContact CD1-CB 3.98Å; F782-A786 HydrophobicContact CD2-CB 4.17Å; F782-A786 VanDerWaalsContact CE1-C 3.4Å; F782-A786 HydrophobicContact CE1-CB 4.02Å; F782-A786 VanDerWaalsContact CE1-O 3.29Å; F782-A786 WeakPolarHBondContact CE1-O 3.4Å; F782-A786 HydrophobicContact CE2-CB 4.2Å; F782-A786 HydrophobicContact CG-CB 4.05Å; F782-A786 HydrophobicContact CZ-CB 4.13Å; F782-L787 VanDerWaalsContact CD1-CA 3.5Å; F782-L787 HydrophobicContact CD1-CB 3.95Å; F782-L787 HydrophobicContact CD1-CD1 4.03Å; F782-L787 VanDerWaalsContact CD1-N 3.35Å; F782-F790 HydrophobicContact CE1-CB 3.78Å; F782-F790 HydrophobicContact CE1-CG 4.32Å; F782-F790 HydrophobicContact CZ-CB 4.14Å |
| 783 | T | 62.7 | Low | 52.3 | Low | 84 Ų | 84 | 101.9 Ų | 101.9 | 52% | 0.515 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -62.3 | 151.7 | 178.6 | 60.9 | 0 | 0 | 0 | 0 | 109.6 | Q781 N785 A786 L787 | Q781-T783 PolarHBondContact O-N 2.97Å; Q781-T783 VanDerWaalsContact O-N 3.13Å; T783-N785 PolarHBondContact O-N 2.96Å; T783-N785 VanDerWaalsContact O-N 3.13Å; T783-A786 WeakPolarHBondContact O-CA 3.43Å; T783-A786 WeakPolarHBondContact O-CB 3.49Å; T783-A786 PolarHBondContact O-N 2.95Å; T783-A786 WeakPolarHBondContact OG1-CB 3.23Å; T783-A786 PolarHBondContact OG1-N 3.4Å; T783-L787 PolarHBondContact O-N 3.12Å |
| 784 | P | 61.9 | Low | 54.6 | Low | 82 Ų | 82 | 95.4 Ų | 95.4 | 53% | 0.532 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -52.4 | -38.4 | 176.6 | -29.4 | 36.5 | 0 | 0 | 0 | 112.3 | L787 M788 | P784-L787 PolarHBondContact O-N 3.29Å; P784-M788 WeakPolarHBondContact O-CB 3.43Å; P784-M788 WeakPolarHBondContact O-CG 3.4Å; P784-M788 PolarHBondContact O-N 3.28Å |
| 785 | N | 62.1 | Low | 56.8 | Low | 114 Ų | 114 | 88 Ų | 88 | 61% | 0.61 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.1 | -41.2 | 174.2 | -71.9 | 8.3 | 0 | 0 | 0 | 112.9 | T783 M788 I789 | T783-N785 PolarHBondContact O-N 2.96Å; T783-N785 VanDerWaalsContact O-N 3.13Å; N785-M788 PolarHBondContact O-N 2.96Å; N785-I789 WeakPolarHBondContact O-CB 3.36Å; N785-I789 WeakPolarHBondContact O-CD1 3.38Å; N785-I789 VanDerWaalsContact O-CG1 3.24Å; N785-I789 WeakPolarHBondContact O-CG1 3.36Å; N785-I789 PolarHBondContact O-N 3.16Å |
| 786 | A | 70 | Confident | 58.7 | Low | 27 Ų | 27 | 89.3 Ų | 89.3 | 22% | 0.223 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -63 | -40.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F782 T783 M788 I789 F790 | F782-A786 HydrophobicContact CD1-CB 3.98Å; F782-A786 HydrophobicContact CD2-CB 4.17Å; F782-A786 VanDerWaalsContact CE1-C 3.4Å; F782-A786 HydrophobicContact CE1-CB 4.02Å; F782-A786 VanDerWaalsContact CE1-O 3.29Å; F782-A786 WeakPolarHBondContact CE1-O 3.4Å; F782-A786 HydrophobicContact CE2-CB 4.2Å; F782-A786 HydrophobicContact CG-CB 4.05Å; F782-A786 HydrophobicContact CZ-CB 4.13Å; T783-A786 WeakPolarHBondContact O-CA 3.43Å; T783-A786 WeakPolarHBondContact O-CB 3.49Å; T783-A786 PolarHBondContact O-N 2.95Å; T783-A786 WeakPolarHBondContact OG1-CB 3.23Å; T783-A786 PolarHBondContact OG1-N 3.4Å; A786-M788 VanDerWaalsContact C-N 3.31Å; A786-M788 PolarHBondContact O-N 2.76Å; A786-I789 PolarHBondContact O-N 3.14Å; A786-F790 WeakPolarHBondContact O-CB 3.25Å; A786-F790 PolarHBondContact O-N 2.9Å |
| 787 | L | 73.1 | Confident | 60.4 | Low | 70 Ų | 70 | 85 Ų | 85 | 37% | 0.366 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59.3 | -44.3 | 173.9 | -170 | 74.4 | 0 | 0 | 0 | 111.2 | F782 T783 P784 F790 L791 | F782-L787 VanDerWaalsContact CD1-CA 3.5Å; F782-L787 HydrophobicContact CD1-CB 3.95Å; F782-L787 HydrophobicContact CD1-CD1 4.03Å; F782-L787 VanDerWaalsContact CD1-N 3.35Å; T783-L787 PolarHBondContact O-N 3.12Å; P784-L787 PolarHBondContact O-N 3.29Å; L787-F790 PolarHBondContact O-N 3.34Å; L787-L791 HydrophobicContact CG-CD1 4.11Å; L787-L791 WeakPolarHBondContact O-CB 3.49Å; L787-L791 VanDerWaalsContact O-CG 3.28Å; L787-L791 WeakPolarHBondContact O-CG 3.37Å; L787-L791 PolarHBondContact O-N 3.48Å |
| 788 | M | 69.3 | Low | 61.8 | Low | 16 Ų | 16 | 78 Ų | 78 | 8% | 0.079 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -70.2 | -38.6 | -179.5 | -66.3 | -60.4 | -76.5 | 0 | 0 | 112.7 | P784 N785 A786 L791 C792 Q811 S814 Y815 | P784-M788 WeakPolarHBondContact O-CB 3.43Å; P784-M788 WeakPolarHBondContact O-CG 3.4Å; P784-M788 PolarHBondContact O-N 3.28Å; N785-M788 PolarHBondContact O-N 2.96Å; A786-M788 VanDerWaalsContact C-N 3.31Å; A786-M788 PolarHBondContact O-N 2.76Å; M788-L791 PolarHBondContact O-N 3.08Å; M788-C792 WeakPolarHBondContact O-CB 3.44Å; M788-C792 PolarHBondContact O-N 3.26Å; M788-C792 PolarHBondContact O-SG 3.13Å; M788-Q811 HydrophobicContact CE-CB 4.35Å; M788-Q811 HydrophobicContact CE-CG 3.43Å; M788-Q811 VanDerWaalsContact CE-CG 3.43Å; M788-Q811 WeakPolarHBondContact CE-O 3.47Å; M788-Q811 HydrophobicContact SD-CG 4.17Å; M788-S814 WeakPolarHBondContact SD-CB 3.22Å; M788-Y815 HydrophobicContact CE-CD1 3.55Å; M788-Y815 HydrophobicContact CE-CD2 3.22Å; M788-Y815 HydrophobicContact CE-CE1 3.49Å; M788-Y815 VanDerWaalsContact CE-CE1 3.49Å; M788-Y815 HydrophobicContact CE-CE2 3.17Å; M788-Y815 HydrophobicContact CE-CG 3.4Å |
| 789 | I | 72 | Confident | 63 | Low | 110 Ų | 110 | 76.5 Ų | 76.5 | 56% | 0.564 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -64.7 | -43.5 | 173.6 | -68.8 | 162.5 | 0 | 0 | 0 | 110.5 | N785 A786 C792 S793 | N785-I789 WeakPolarHBondContact O-CB 3.36Å; N785-I789 WeakPolarHBondContact O-CD1 3.38Å; N785-I789 VanDerWaalsContact O-CG1 3.24Å; N785-I789 WeakPolarHBondContact O-CG1 3.36Å; N785-I789 PolarHBondContact O-N 3.16Å; A786-I789 PolarHBondContact O-N 3.14Å; I789-C792 WeakPolarHBondContact O-CB 3.5Å; I789-C792 PolarHBondContact O-N 3.01Å; I789-S793 PolarHBondContact O-N 2.93Å; I789-S793 PolarHBondContact O-OG 3.32Å |
| 790 | F | 75.6 | Confident | 64.4 | Low | 86 Ų | 86 | 75.5 Ų | 75.5 | 38% | 0.377 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62 | -45.8 | 175.7 | 176.8 | -102.1 | 0 | 0 | 0 | 112.2 | F782 A786 L787 S793 L794 | F782-F790 HydrophobicContact CE1-CB 3.78Å; F782-F790 HydrophobicContact CE1-CG 4.32Å; F782-F790 HydrophobicContact CZ-CB 4.14Å; A786-F790 WeakPolarHBondContact O-CB 3.25Å; A786-F790 PolarHBondContact O-N 2.9Å; L787-F790 PolarHBondContact O-N 3.34Å; F790-S793 PolarHBondContact O-N 3.16Å; F790-L794 HydrophobicContact CE1-CD2 4.27Å; F790-L794 HydrophobicContact CZ-CD2 4.49Å; F790-L794 WeakPolarHBondContact O-CB 3.37Å; F790-L794 PolarHBondContact O-N 3.02Å |
| 791 | L | 76.5 | Confident | 66.1 | Low | 20 Ų | 20 | 72.2 Ų | 72.2 | 11% | 0.105 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65.5 | -38.7 | 177 | -70.8 | 171.1 | 0 | 0 | 0 | 112.2 | L787 M788 A795 A807 A810 Q811 | L787-L791 HydrophobicContact CG-CD1 4.11Å; L787-L791 WeakPolarHBondContact O-CB 3.49Å; L787-L791 VanDerWaalsContact O-CG 3.28Å; L787-L791 WeakPolarHBondContact O-CG 3.37Å; L787-L791 PolarHBondContact O-N 3.48Å; M788-L791 PolarHBondContact O-N 3.08Å; L791-A795 VanDerWaalsContact O-CB 3.32Å; L791-A795 WeakPolarHBondContact O-CB 3.38Å; L791-A795 PolarHBondContact O-N 2.9Å; L791-A807 HydrophobicContact CD2-CB 4.47Å; L791-A810 HydrophobicContact CD1-CB 4.04Å; L791-A810 HydrophobicContact CD2-CB 4.02Å; L791-Q811 HydrophobicContact CB-CB 4.24Å |
| 792 | C | 76.9 | Confident | 67.6 | Low | 38 Ų | 38 | 73.6 Ų | 73.6 | 26% | 0.257 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -56.2 | -54.6 | 169.3 | -77.8 | 0 | 0 | 0 | 0 | 111.2 | M788 I789 L794 A795 H796 Q811 | M788-C792 WeakPolarHBondContact O-CB 3.44Å; M788-C792 PolarHBondContact O-N 3.26Å; M788-C792 PolarHBondContact O-SG 3.13Å; I789-C792 WeakPolarHBondContact O-CB 3.5Å; I789-C792 PolarHBondContact O-N 3.01Å; C792-L794 VanDerWaalsContact C-N 3.34Å; C792-L794 PolarHBondContact O-N 2.86Å; C792-A795 PolarHBondContact O-N 3.33Å; C792-H796 PolarHBondContact O-N 2.94Å; C792-H796 VanDerWaalsContact O-N 3.13Å; C792-H796 PolarHBondContact O-ND1 2.68Å; C792-Q811 PolarHBondContact SG-NE2 3.43Å |
| 793 | S | 72.1 | Confident | 68.8 | Low | 49 Ų | 49 | 70.7 Ų | 70.7 | 34% | 0.343 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.9 | -43.9 | -178.8 | -65.7 | 0 | 0 | 0 | 0 | 111.8 | I789 F790 A795 H796 S797 | I789-S793 PolarHBondContact O-N 2.93Å; I789-S793 PolarHBondContact O-OG 3.32Å; F790-S793 PolarHBondContact O-N 3.16Å; S793-A795 VanDerWaalsContact C-N 3.35Å; S793-A795 PolarHBondContact O-N 3.19Å; S793-H796 PolarHBondContact O-N 2.63Å; S793-S797 VanDerWaalsContact O-CB 3.25Å; S793-S797 WeakPolarHBondContact O-CB 3.43Å; S793-S797 PolarHBondContact O-N 2.97Å; S793-S797 PolarHBondContact O-OG 3.08Å |
| 794 | L | 73.5 | Confident | 69.5 | Low | 23 Ų | 23 | 68.3 Ų | 68.3 | 12% | 0.12 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.5 | -36.8 | 178.6 | -166 | 70.8 | 0 | 0 | 0 | 112.4 | F790 C792 T798 A807 | F790-L794 HydrophobicContact CE1-CD2 4.27Å; F790-L794 HydrophobicContact CZ-CD2 4.49Å; F790-L794 WeakPolarHBondContact O-CB 3.37Å; F790-L794 PolarHBondContact O-N 3.02Å; C792-L794 VanDerWaalsContact C-N 3.34Å; C792-L794 PolarHBondContact O-N 2.86Å; L794-T798 HydrophobicContact CD1-CG2 3.7Å; L794-T798 HydrophobicContact CG-CG2 4.18Å; L794-T798 WeakPolarHBondContact O-CB 3.24Å; L794-T798 VanDerWaalsContact O-CG2 3.23Å; L794-T798 WeakPolarHBondContact O-CG2 3.29Å; L794-T798 PolarHBondContact O-OG1 3.28Å; L794-A807 HydrophobicContact CB-CB 4.39Å; L794-A807 HydrophobicContact CD2-CB 4.23Å; L794-A807 HydrophobicContact CG-CB 4.42Å |
| 795 | A | 74.1 | Confident | 70 | Confident | 8 Ų | 8 | 70.6 Ų | 70.6 | 7% | 0.066 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -68.4 | -32.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L791 C792 S793 S804 A807 | L791-A795 VanDerWaalsContact O-CB 3.32Å; L791-A795 WeakPolarHBondContact O-CB 3.38Å; L791-A795 PolarHBondContact O-N 2.9Å; C792-A795 PolarHBondContact O-N 3.33Å; S793-A795 VanDerWaalsContact C-N 3.35Å; S793-A795 PolarHBondContact O-N 3.19Å; A795-S804 PolarHBondContact O-OG 3.49Å; A795-A807 HydrophobicContact CB-CB 4.04Å |
| 796 | H | 68.7 | Low | 70.7 | Confident | 156 Ų | 156 | 70.8 Ų | 70.8 | 72% | 0.722 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -95.8 | -20.3 | -176.2 | -67.4 | 82.3 | 0 | 0 | 0 | 114.6 | C792 S793 | C792-H796 PolarHBondContact O-N 2.94Å; C792-H796 VanDerWaalsContact O-N 3.13Å; C792-H796 PolarHBondContact O-ND1 2.68Å; S793-H796 PolarHBondContact O-N 2.63Å |
| 797 | S | 64.4 | Low | 71.1 | Confident | 87 Ų | 87 | 69.8 Ų | 69.8 | 61% | 0.608 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -101 | -14.5 | -174.9 | 69.6 | 0 | 0 | 0 | 0 | 115.2 | S793 | S793-S797 VanDerWaalsContact O-CB 3.25Å; S793-S797 WeakPolarHBondContact O-CB 3.43Å; S793-S797 PolarHBondContact O-N 2.97Å; S793-S797 PolarHBondContact O-OG 3.08Å |
| 798 | T | 59 | Low | 71.2 | Confident | 20 Ų | 20 | 71.4 Ų | 71.4 | 12% | 0.123 | 37% | 0.373 | C | S | . | . | trans | -91.5 | 127 | -170.3 | 54.8 | 0 | 0 | 0 | 0 | 112.8 | L794 Y800 L803 | L794-T798 HydrophobicContact CD1-CG2 3.7Å; L794-T798 HydrophobicContact CG-CG2 4.18Å; L794-T798 WeakPolarHBondContact O-CB 3.24Å; L794-T798 VanDerWaalsContact O-CG2 3.23Å; L794-T798 WeakPolarHBondContact O-CG2 3.29Å; L794-T798 PolarHBondContact O-OG1 3.28Å; T798-Y800 PolarHBondContact O-N 2.7Å; T798-L803 HydrophobicContact CG2-CD2 3.67Å; T798-L803 HydrophobicContact CG2-CG 4.46Å | ||
| 799 | P | 56.1 | Low | 71.7 | Confident | 109 Ų | 109 | 74.3 Ų | 74.3 | 71% | 0.708 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -77.5 | 18.1 | 179.7 | 33.5 | -37.1 | 0 | 0 | 0 | 113.6 | ||
| 800 | Y | 63.1 | Low | 72 | Confident | 83 Ų | 83 | 70.8 Ų | 70.8 | 33% | 0.325 | 38% | 0.381 | S | S | . | . | trans | -119.6 | 102.6 | -173.1 | -61 | -73.3 | 0 | 0 | 0 | 109.6 | P689 T798 R802 L803 S804 | P689-Y800 HydrophobicContact CG-CE2 4.05Å; T798-Y800 PolarHBondContact O-N 2.7Å; Y800-R802 VanDerWaalsContact C-N 3.33Å; Y800-R802 PolarHBondContact O-N 3.18Å; Y800-L803 WeakPolarHBondContact O-CB 3.13Å; Y800-L803 PolarHBondContact O-N 3.25Å; Y800-S804 PolarHBondContact O-N 3.4Å | ||
| 801 | P | 71.9 | Confident | 72.1 | Confident | 89 Ų | 89 | 67.6 Ų | 67.6 | 58% | 0.578 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -60.1 | -38.1 | -167.6 | 19.3 | -31.4 | 0 | 0 | 0 | 113.7 | L803 S804 E805 | P801-L803 VanDerWaalsContact C-N 3.3Å; P801-L803 PolarHBondContact O-N 3.1Å; P801-S804 PolarHBondContact O-N 2.98Å; P801-E805 WeakPolarHBondContact O-CG 3.37Å; P801-E805 PolarHBondContact O-N 3.44Å |
| 802 | R | 69 | Low | 72.1 | Confident | 179 Ų | 179 | 70.9 Ų | 70.9 | 68% | 0.675 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -60.9 | -35.1 | 175.8 | -77.7 | -177.7 | 167.8 | 169.8 | -2.5 | 113.6 | Y800 L806 | Y800-R802 VanDerWaalsContact C-N 3.33Å; Y800-R802 PolarHBondContact O-N 3.18Å; R802-L806 WeakPolarHBondContact O-CB 3.34Å; R802-L806 PolarHBondContact O-N 3.47Å |
| 803 | L | 73.1 | Confident | 72.2 | Confident | 34 Ų | 34 | 73.4 Ų | 73.4 | 18% | 0.178 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -75.1 | -39.8 | 179.1 | 179.2 | 64.7 | 0 | 0 | 0 | 110.8 | I692 T798 Y800 P801 L806 A807 | I692-L803 HydrophobicContact CD1-CD2 3.34Å; T798-L803 HydrophobicContact CG2-CD2 3.67Å; T798-L803 HydrophobicContact CG2-CG 4.46Å; Y800-L803 WeakPolarHBondContact O-CB 3.13Å; Y800-L803 PolarHBondContact O-N 3.25Å; P801-L803 VanDerWaalsContact C-N 3.3Å; P801-L803 PolarHBondContact O-N 3.1Å; L803-L806 PolarHBondContact O-N 3.08Å; L803-A807 WeakPolarHBondContact O-CB 3.39Å; L803-A807 PolarHBondContact O-N 3.43Å |
| 804 | S | 77 | Confident | 72.4 | Confident | 34 Ų | 34 | 72.9 Ų | 72.9 | 24% | 0.238 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -59 | -48.4 | 172 | -179.9 | 0 | 0 | 0 | 0 | 111.2 | A795 Y800 P801 L806 A807 H808 | A795-S804 PolarHBondContact O-OG 3.49Å; Y800-S804 PolarHBondContact O-N 3.4Å; P801-S804 PolarHBondContact O-N 2.98Å; S804-L806 PolarHBondContact O-N 3.15Å; S804-A807 PolarHBondContact O-N 2.76Å; S804-H808 WeakPolarHBondContact O-CB 3.46Å; S804-H808 PolarHBondContact O-N 2.95Å |
| 805 | E | 72.9 | Confident | 72.5 | Confident | 130 Ų | 130 | 77.3 Ų | 77.3 | 61% | 0.607 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -59.1 | -42.9 | 174.8 | -73.1 | -178 | 129.1 | 0 | 0 | 112.6 | P801 H808 C809 | P801-E805 WeakPolarHBondContact O-CG 3.37Å; P801-E805 PolarHBondContact O-N 3.44Å; E805-H808 PolarHBondContact O-N 2.87Å; E805-C809 WeakPolarHBondContact O-CB 3.24Å; E805-C809 PolarHBondContact O-N 2.75Å; E805-C809 PolarHBondContact O-SG 2.73Å |
| 806 | L | 76.3 | Confident | 72.7 | Confident | 119 Ų | 119 | 82.1 Ų | 82.1 | 62% | 0.623 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -66.2 | -43.5 | 178.8 | -175.7 | 62.5 | 0 | 0 | 0 | 112.1 | R802 L803 S804 C809 A810 | R802-L806 WeakPolarHBondContact O-CB 3.34Å; R802-L806 PolarHBondContact O-N 3.47Å; L803-L806 PolarHBondContact O-N 3.08Å; S804-L806 PolarHBondContact O-N 3.15Å; L806-C809 PolarHBondContact O-N 3.32Å; L806-A810 WeakPolarHBondContact O-CB 3.42Å; L806-A810 PolarHBondContact O-N 3.15Å |
| 807 | A | 77.8 | Confident | 73.2 | Confident | 5 Ų | 5 | 81 Ų | 81 | 4% | 0.041 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L791 L794 A795 L803 S804 A810 Q811 | L791-A807 HydrophobicContact CD2-CB 4.47Å; L794-A807 HydrophobicContact CB-CB 4.39Å; L794-A807 HydrophobicContact CD2-CB 4.23Å; L794-A807 HydrophobicContact CG-CB 4.42Å; A795-A807 HydrophobicContact CB-CB 4.04Å; L803-A807 WeakPolarHBondContact O-CB 3.39Å; L803-A807 PolarHBondContact O-N 3.43Å; S804-A807 PolarHBondContact O-N 2.76Å; A807-A810 PolarHBondContact O-N 2.97Å; A807-Q811 WeakPolarHBondContact O-CB 3.45Å; A807-Q811 PolarHBondContact O-N 3.4Å |
| 808 | H | 76.6 | Confident | 74 | Confident | 105 Ų | 105 | 80.3 Ų | 80.3 | 49% | 0.486 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -69.3 | -32.4 | 178.6 | -153.4 | -33.4 | 0 | 0 | 0 | 112.5 | S804 E805 L812 | S804-H808 WeakPolarHBondContact O-CB 3.46Å; S804-H808 PolarHBondContact O-N 2.95Å; E805-H808 PolarHBondContact O-N 2.87Å; H808-L812 WeakPolarHBondContact O-CB 3.37Å; H808-L812 PolarHBondContact O-N 3.44Å |
| 809 | C | 78.7 | Confident | 74.9 | Confident | 76 Ų | 76 | 83.7 Ų | 83.7 | 51% | 0.514 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -68.2 | -42 | 170.2 | -72.3 | 0 | 0 | 0 | 0 | 112.4 | E805 L806 L812 T813 | E805-C809 WeakPolarHBondContact O-CB 3.24Å; E805-C809 PolarHBondContact O-N 2.75Å; E805-C809 PolarHBondContact O-SG 2.73Å; L806-C809 PolarHBondContact O-N 3.32Å; C809-L812 PolarHBondContact O-N 3.2Å; C809-T813 WeakPolarHBondContact O-CB 3.44Å; C809-T813 PolarHBondContact O-N 3.18Å; C809-T813 PolarHBondContact O-OG1 2.88Å |
| 810 | A | 78.4 | Confident | 76.1 | Confident | 36 Ų | 36 | 82.1 Ų | 82.1 | 30% | 0.298 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L791 L806 A807 L812 T813 S814 | L791-A810 HydrophobicContact CD1-CB 4.04Å; L791-A810 HydrophobicContact CD2-CB 4.02Å; L806-A810 WeakPolarHBondContact O-CB 3.42Å; L806-A810 PolarHBondContact O-N 3.15Å; A807-A810 PolarHBondContact O-N 2.97Å; A810-L812 PolarHBondContact O-N 2.86Å; A810-T813 WeakPolarHBondContact O-CB 3.46Å; A810-T813 PolarHBondContact O-N 2.72Å; A810-T813 VanDerWaalsContact O-N 3.17Å; A810-S814 PolarHBondContact O-N 3.42Å; A810-S814 PolarHBondContact O-OG 2.79Å |
| 811 | Q | 77.7 | Confident | 76.8 | Confident | 20 Ų | 20 | 83.5 Ų | 83.5 | 9% | 0.093 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -56.2 | -50.3 | 174.1 | -173.2 | -168.7 | -1.9 | 0 | 0 | 111.6 | M788 L791 C792 A807 T813 S814 Y815 | M788-Q811 HydrophobicContact CE-CB 4.35Å; M788-Q811 HydrophobicContact CE-CG 3.43Å; M788-Q811 VanDerWaalsContact CE-CG 3.43Å; M788-Q811 WeakPolarHBondContact CE-O 3.47Å; M788-Q811 HydrophobicContact SD-CG 4.17Å; L791-Q811 HydrophobicContact CB-CB 4.24Å; C792-Q811 PolarHBondContact SG-NE2 3.43Å; A807-Q811 WeakPolarHBondContact O-CB 3.45Å; A807-Q811 PolarHBondContact O-N 3.4Å; Q811-T813 VanDerWaalsContact C-N 3.27Å; Q811-T813 PolarHBondContact O-N 2.74Å; Q811-S814 PolarHBondContact O-N 2.94Å; Q811-Y815 HydrophobicContact CG-CD2 4.24Å; Q811-Y815 HydrophobicContact CG-CE2 3.98Å; Q811-Y815 PolarHBondContact O-N 3.34Å |
| 812 | L | 77.6 | Confident | 77 | Confident | 89 Ų | 89 | 81.9 Ų | 81.9 | 47% | 0.466 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.8 | -36.5 | 178 | -176.6 | 63.5 | 0 | 0 | 0 | 112.3 | H808 C809 A810 R816 | H808-L812 WeakPolarHBondContact O-CB 3.37Å; H808-L812 PolarHBondContact O-N 3.44Å; C809-L812 PolarHBondContact O-N 3.2Å; A810-L812 PolarHBondContact O-N 2.86Å; L812-R816 WeakPolarHBondContact O-CD 3.29Å; L812-R816 VanDerWaalsContact O-CG 3.22Å; L812-R816 WeakPolarHBondContact O-CG 3.22Å; L812-R816 PolarHBondContact O-N 3.22Å; L812-R816 VanDerWaalsContact O-N 3.14Å |
| 813 | T | 78.9 | Confident | 77.4 | Confident | 91 Ų | 91 | 76.4 Ų | 76.4 | 56% | 0.558 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -68.9 | -43.2 | 177.5 | -55.6 | 0 | 0 | 0 | 0 | 111.5 | C809 A810 Q811 R816 L817 | C809-T813 WeakPolarHBondContact O-CB 3.44Å; C809-T813 PolarHBondContact O-N 3.18Å; C809-T813 PolarHBondContact O-OG1 2.88Å; A810-T813 WeakPolarHBondContact O-CB 3.46Å; A810-T813 PolarHBondContact O-N 2.72Å; A810-T813 VanDerWaalsContact O-N 3.17Å; Q811-T813 VanDerWaalsContact C-N 3.27Å; Q811-T813 PolarHBondContact O-N 2.74Å; T813-R816 PolarHBondContact O-N 3.1Å; T813-L817 PolarHBondContact O-N 2.8Å |
| 814 | S | 75.2 | Confident | 77.9 | Confident | 37 Ų | 37 | 81.7 Ų | 81.7 | 26% | 0.259 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.2 | -39.9 | 176.4 | -69.5 | 0 | 0 | 0 | 0 | 112.9 | M788 A810 Q811 L817 L818 | M788-S814 WeakPolarHBondContact SD-CB 3.22Å; A810-S814 PolarHBondContact O-N 3.42Å; A810-S814 PolarHBondContact O-OG 2.79Å; Q811-S814 PolarHBondContact O-N 2.94Å; S814-L817 PolarHBondContact O-N 2.74Å; S814-L818 PolarHBondContact O-N 3.01Å |
| 815 | Y | 76 | Confident | 78.2 | Confident | 116 Ų | 116 | 86 Ų | 86 | 46% | 0.455 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -59.5 | -47.4 | 170.5 | -83.7 | -51.2 | 0 | 0 | 0 | 111.7 | M788 Q811 L817 L818 T819 | M788-Y815 HydrophobicContact CE-CD1 3.55Å; M788-Y815 HydrophobicContact CE-CD2 3.22Å; M788-Y815 HydrophobicContact CE-CE1 3.49Å; M788-Y815 VanDerWaalsContact CE-CE1 3.49Å; M788-Y815 HydrophobicContact CE-CE2 3.17Å; M788-Y815 HydrophobicContact CE-CG 3.4Å; Q811-Y815 HydrophobicContact CG-CD2 4.24Å; Q811-Y815 HydrophobicContact CG-CE2 3.98Å; Q811-Y815 PolarHBondContact O-N 3.34Å; Y815-L817 VanDerWaalsContact C-N 3.26Å; Y815-L817 PolarHBondContact O-N 2.94Å; Y815-L818 PolarHBondContact O-N 3.2Å; Y815-L818 VanDerWaalsContact O-N 3.16Å; Y815-T819 PolarHBondContact O-N 2.91Å; Y815-T819 PolarHBondContact O-OG1 2.88Å |
| 816 | R | 78.6 | Confident | 78.7 | Confident | 110 Ų | 110 | 82.4 Ų | 82.4 | 42% | 0.415 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.4 | -34.7 | 178.4 | -73.1 | 165.7 | 173.6 | -138.8 | -7.3 | 112.9 | L812 T813 T819 K820 Q1266 | L812-R816 WeakPolarHBondContact O-CD 3.29Å; L812-R816 VanDerWaalsContact O-CG 3.22Å; L812-R816 WeakPolarHBondContact O-CG 3.22Å; L812-R816 PolarHBondContact O-N 3.22Å; L812-R816 VanDerWaalsContact O-N 3.14Å; T813-R816 PolarHBondContact O-N 3.1Å; R816-T819 WeakPolarHBondContact CA-OG1 3.37Å; R816-T819 PolarHBondContact O-OG1 3.43Å; R816-K820 WeakPolarHBondContact O-CG 3.27Å; R816-K820 PolarHBondContact O-N 3.05Å; R816-Q1266 VanDerWaalsContact CZ-OE1 3.25Å |
| 817 | L | 79.3 | Confident | 79.1 | Confident | 132 Ų | 132 | 79.6 Ų | 79.6 | 69% | 0.691 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -68.9 | -45.5 | 175 | -159.3 | 85.6 | 0 | 0 | 0 | 111.2 | T813 S814 Y815 T819 K820 L821 | T813-L817 PolarHBondContact O-N 2.8Å; S814-L817 PolarHBondContact O-N 2.74Å; Y815-L817 VanDerWaalsContact C-N 3.26Å; Y815-L817 PolarHBondContact O-N 2.94Å; L817-T819 PolarHBondContact O-N 3.18Å; L817-K820 PolarHBondContact O-N 3.47Å; L817-L821 PolarHBondContact O-N 3.14Å |
| 818 | L | 80 | Confident | 79.4 | Confident | 73 Ų | 73 | 83.2 Ų | 83.2 | 38% | 0.382 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.9 | -38.8 | 179.9 | -173 | 62.8 | 0 | 0 | 0 | 112.2 | S814 Y815 L821 A822 | S814-L818 PolarHBondContact O-N 3.01Å; Y815-L818 PolarHBondContact O-N 3.2Å; Y815-L818 VanDerWaalsContact O-N 3.16Å; L818-L821 HydrophobicContact CD1-CD2 4.42Å; L818-L821 PolarHBondContact O-N 2.76Å; L818-A822 PolarHBondContact O-N 3.32Å |
| 819 | T | 78 | Confident | 79.9 | Confident | 91 Ų | 91 | 83.1 Ų | 83.1 | 56% | 0.558 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -65.6 | -37.4 | 174 | 51.7 | 0 | 0 | 0 | 0 | 112.4 | Y815 R816 L817 A822 H823 | Y815-T819 PolarHBondContact O-N 2.91Å; Y815-T819 PolarHBondContact O-OG1 2.88Å; R816-T819 WeakPolarHBondContact CA-OG1 3.37Å; R816-T819 PolarHBondContact O-OG1 3.43Å; L817-T819 PolarHBondContact O-N 3.18Å; T819-A822 PolarHBondContact O-N 2.97Å; T819-H823 PolarHBondContact O-N 3.28Å |
| 820 | K | 81.9 | Confident | 80.3 | Confident | 75 Ų | 75 | 83.5 Ų | 83.5 | 33% | 0.326 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -68.2 | -38.9 | 174 | -75 | -163.4 | 173.2 | -150.6 | 0 | 111.9 | R816 L817 H823 Y824 | R816-K820 WeakPolarHBondContact O-CG 3.27Å; R816-K820 PolarHBondContact O-N 3.05Å; L817-K820 PolarHBondContact O-N 3.47Å; K820-H823 PolarHBondContact O-N 2.71Å; K820-Y824 HydrophobicContact CB-CE2 4.36Å; K820-Y824 WeakPolarHBondContact O-CD2 3.31Å; K820-Y824 PolarHBondContact O-N 3.25Å |
| 821 | L | 77.3 | Confident | 80.8 | Confident | 113 Ų | 113 | 87.2 Ų | 87.2 | 59% | 0.592 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -60.4 | -46.2 | 174.1 | -168.7 | 79.5 | 0 | 0 | 0 | 111.6 | L817 L818 H823 Y824 Q825 | L817-L821 PolarHBondContact O-N 3.14Å; L818-L821 HydrophobicContact CD1-CD2 4.42Å; L818-L821 PolarHBondContact O-N 2.76Å; L821-H823 PolarHBondContact O-N 3.17Å; L821-Y824 PolarHBondContact O-N 3.4Å; L821-Q825 WeakPolarHBondContact O-CB 3.41Å; L821-Q825 PolarHBondContact O-N 3.32Å |
| 822 | A | 76.4 | Confident | 81.2 | Confident | 55 Ų | 55 | 92.8 Ų | 92.8 | 46% | 0.455 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.8 | -40 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | L818 T819 Q825 S826 | L818-A822 PolarHBondContact O-N 3.32Å; T819-A822 PolarHBondContact O-N 2.97Å; A822-Q825 PolarHBondContact O-N 2.97Å; A822-S826 PolarHBondContact O-N 3.26Å; A822-S826 PolarHBondContact O-OG 2.78Å |
| 823 | H | 77.6 | Confident | 81.6 | Confident | 64 Ų | 64 | 91.3 Ų | 91.3 | 30% | 0.296 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63 | -49.2 | 175.3 | -173.3 | 4.3 | 0 | 0 | 0 | 111.7 | T819 K820 L821 Q825 S826 D827 | T819-H823 PolarHBondContact O-N 3.28Å; K820-H823 PolarHBondContact O-N 2.71Å; L821-H823 PolarHBondContact O-N 3.17Å; H823-Q825 PolarHBondContact O-N 3.01Å; H823-S826 PolarHBondContact O-N 2.86Å; H823-S826 VanDerWaalsContact O-N 3.12Å; H823-S826 PolarHBondContact O-OG 3.39Å; H823-D827 IonicContact CE1-OD1 2.88Å; H823-D827 PolarHBondContact CE1-OD1 2.73Å; H823-D827 IonicContact CE1-OD2 2.59Å; H823-D827 PolarHBondContact CE1-OD2 3.03Å; H823-D827 IonicContact ND1-OD1 3.43Å; H823-D827 PolarHBondContact ND1-OD1 3.44Å; H823-D827 IonicContact ND1-OD2 3.89Å; H823-D827 PolarHBondContact ND1-OD2 3.31Å; H823-D827 PolarHBondContact O-N 3.38Å; H823-D827 VanDerWaalsContact O-OD1 3.08Å |
| 824 | Y | 83.6 | Confident | 82 | Confident | 144 Ų | 144 | 89.7 Ų | 89.7 | 57% | 0.565 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -61 | -34.3 | 175.7 | -65.9 | -46.8 | 0 | 0 | 0 | 112.4 | K820 L821 D827 C828 | K820-Y824 HydrophobicContact CB-CE2 4.36Å; K820-Y824 WeakPolarHBondContact O-CD2 3.31Å; K820-Y824 PolarHBondContact O-N 3.25Å; L821-Y824 PolarHBondContact O-N 3.4Å; Y824-D827 PolarHBondContact O-N 2.99Å; Y824-C828 PolarHBondContact O-N 2.99Å; Y824-C828 PolarHBondContact O-SG 2.97Å |
| 825 | Q | 84 | Confident | 82.4 | Confident | 126 Ų | 126 | 93.9 Ų | 93.9 | 59% | 0.589 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.4 | -40.6 | 174.5 | -172.9 | 175.8 | -5.5 | 0 | 0 | 112.3 | L821 A822 H823 L829 | L821-Q825 WeakPolarHBondContact O-CB 3.41Å; L821-Q825 PolarHBondContact O-N 3.32Å; A822-Q825 PolarHBondContact O-N 2.97Å; H823-Q825 PolarHBondContact O-N 3.01Å; Q825-L829 WeakPolarHBondContact O-CG 3.45Å; Q825-L829 PolarHBondContact O-N 2.78Å |
| 826 | S | 82.4 | Confident | 82.9 | Confident | 54 Ų | 54 | 91.2 Ų | 91.2 | 38% | 0.378 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.6 | -38.9 | 173.3 | 52.4 | 0 | 0 | 0 | 0 | 112.3 | A822 H823 C828 L829 V830 | A822-S826 PolarHBondContact O-N 3.26Å; A822-S826 PolarHBondContact O-OG 2.78Å; H823-S826 PolarHBondContact O-N 2.86Å; H823-S826 VanDerWaalsContact O-N 3.12Å; H823-S826 PolarHBondContact O-OG 3.39Å; S826-C828 PolarHBondContact O-N 2.91Å; S826-L829 PolarHBondContact O-N 3.27Å; S826-V830 WeakPolarHBondContact O-CG2 3.3Å; S826-V830 PolarHBondContact O-N 2.87Å |
| 827 | D | 84.1 | Confident | 83.2 | Confident | 59 Ų | 59 | 91.7 Ų | 91.7 | 32% | 0.316 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.2 | -41.5 | -180 | -57.9 | -12 | 0 | 0 | 0 | 111 | H823 Y824 L829 V830 L831 | H823-D827 IonicContact CE1-OD1 2.88Å; H823-D827 PolarHBondContact CE1-OD1 2.73Å; H823-D827 IonicContact CE1-OD2 2.59Å; H823-D827 PolarHBondContact CE1-OD2 3.03Å; H823-D827 IonicContact ND1-OD1 3.43Å; H823-D827 PolarHBondContact ND1-OD1 3.44Å; H823-D827 IonicContact ND1-OD2 3.89Å; H823-D827 PolarHBondContact ND1-OD2 3.31Å; H823-D827 PolarHBondContact O-N 3.38Å; H823-D827 VanDerWaalsContact O-OD1 3.08Å; Y824-D827 PolarHBondContact O-N 2.99Å; D827-L829 VanDerWaalsContact C-N 3.33Å; D827-L829 PolarHBondContact O-N 3.3Å; D827-V830 PolarHBondContact O-N 2.89Å; D827-L831 WeakPolarHBondContact O-CB 3.44Å; D827-L831 VanDerWaalsContact O-CG 3.3Å; D827-L831 WeakPolarHBondContact O-CG 3.42Å; D827-L831 PolarHBondContact O-N 2.98Å |
| 828 | C | 85.4 | Confident | 83.7 | Confident | 82 Ų | 82 | 91 Ų | 91 | 55% | 0.554 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.7 | -39 | 173.1 | -72.3 | 0 | 0 | 0 | 0 | 112.9 | Y824 S826 Q832 | Y824-C828 PolarHBondContact O-N 2.99Å; Y824-C828 PolarHBondContact O-SG 2.97Å; S826-C828 PolarHBondContact O-N 2.91Å; C828-Q832 WeakPolarHBondContact O-CB 3.31Å; C828-Q832 PolarHBondContact O-N 3.39Å |
| 829 | L | 86.7 | Confident | 84.1 | Confident | 102 Ų | 102 | 93.8 Ų | 93.8 | 53% | 0.534 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.1 | -39.9 | 177.2 | -71.2 | 170.1 | 0 | 0 | 0 | 112.1 | Q825 S826 D827 Q832 A833 | Q825-L829 WeakPolarHBondContact O-CG 3.45Å; Q825-L829 PolarHBondContact O-N 2.78Å; S826-L829 PolarHBondContact O-N 3.27Å; D827-L829 VanDerWaalsContact C-N 3.33Å; D827-L829 PolarHBondContact O-N 3.3Å; L829-Q832 PolarHBondContact O-N 3.17Å; L829-A833 PolarHBondContact O-N 2.99Å |
| 830 | V | 88.1 | Confident | 84.6 | Confident | 84 Ų | 84 | 92.8 Ų | 92.8 | 51% | 0.509 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.9 | -43.5 | 174.2 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | S826 D827 Q832 A833 N834 | S826-V830 WeakPolarHBondContact O-CG2 3.3Å; S826-V830 PolarHBondContact O-N 2.87Å; D827-V830 PolarHBondContact O-N 2.89Å; V830-Q832 VanDerWaalsContact C-N 3.32Å; V830-Q832 PolarHBondContact O-N 3.27Å; V830-A833 PolarHBondContact O-N 3.22Å; V830-N834 WeakPolarHBondContact O-CB 3.31Å; V830-N834 PolarHBondContact O-N 3.03Å; V830-N834 PolarHBondContact O-OD1 3.33Å |
| 831 | L | 87.5 | Confident | 84.8 | Confident | 115 Ų | 115 | 92.3 Ų | 92.3 | 60% | 0.602 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.4 | -39.1 | 174.4 | -73.9 | 167.7 | 0 | 0 | 0 | 112.3 | D827 L835 | D827-L831 WeakPolarHBondContact O-CB 3.44Å; D827-L831 VanDerWaalsContact O-CG 3.3Å; D827-L831 WeakPolarHBondContact O-CG 3.42Å; D827-L831 PolarHBondContact O-N 2.98Å; L831-L835 VanDerWaalsContact O-CB 3.32Å; L831-L835 WeakPolarHBondContact O-CB 3.3Å; L831-L835 PolarHBondContact O-N 3.25Å |
| 832 | Q | 87 | Confident | 85.2 | Confident | 136 Ų | 136 | 89.1 Ų | 89.1 | 64% | 0.636 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66 | -40 | 176 | -174.4 | 174.7 | -1.4 | 0 | 0 | 112.3 | C828 L829 V830 A836 | C828-Q832 WeakPolarHBondContact O-CB 3.31Å; C828-Q832 PolarHBondContact O-N 3.39Å; L829-Q832 PolarHBondContact O-N 3.17Å; V830-Q832 VanDerWaalsContact C-N 3.32Å; V830-Q832 PolarHBondContact O-N 3.27Å; Q832-A836 PolarHBondContact O-N 3.24Å; Q832-A836 VanDerWaalsContact O-N 3.14Å |
| 833 | A | 85.5 | Confident | 85.7 | Confident | 58 Ų | 58 | 91 Ų | 91 | 48% | 0.479 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.8 | -48.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L829 V830 L835 A836 E837 | L829-A833 PolarHBondContact O-N 2.99Å; V830-A833 PolarHBondContact O-N 3.22Å; A833-L835 VanDerWaalsContact C-N 3.3Å; A833-L835 PolarHBondContact O-N 3.33Å; A833-A836 WeakPolarHBondContact O-CB 3.28Å; A833-A836 PolarHBondContact O-N 3.38Å; A833-A836 VanDerWaalsContact O-N 3.12Å; A833-E837 PolarHBondContact O-N 3.14Å |
| 834 | N | 87.2 | Confident | 86.3 | Confident | 58 Ų | 58 | 93.2 Ų | 93.2 | 31% | 0.31 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60 | -39.7 | 178 | -67.6 | -7.6 | 0 | 0 | 0 | 111.8 | V830 A836 E837 I838 | V830-N834 WeakPolarHBondContact O-CB 3.31Å; V830-N834 PolarHBondContact O-N 3.03Å; V830-N834 PolarHBondContact O-OD1 3.33Å; N834-A836 VanDerWaalsContact C-N 3.34Å; N834-E837 PolarHBondContact O-N 3.31Å; N834-I838 WeakPolarHBondContact O-CB 3.47Å; N834-I838 WeakPolarHBondContact O-CD1 3.34Å; N834-I838 VanDerWaalsContact O-CG1 3.23Å; N834-I838 WeakPolarHBondContact O-CG1 3.43Å; N834-I838 PolarHBondContact O-N 3.16Å |
| 835 | L | 84.5 | Confident | 86.2 | Confident | 124 Ų | 124 | 90.8 Ų | 90.8 | 65% | 0.649 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.5 | -35.9 | 177.1 | -167.6 | 152.6 | 0 | 0 | 0 | 111.9 | L831 A833 K839 | L831-L835 VanDerWaalsContact O-CB 3.32Å; L831-L835 WeakPolarHBondContact O-CB 3.3Å; L831-L835 PolarHBondContact O-N 3.25Å; A833-L835 VanDerWaalsContact C-N 3.3Å; A833-L835 PolarHBondContact O-N 3.33Å; L835-K839 WeakPolarHBondContact O-CB 3.42Å; L835-K839 PolarHBondContact O-N 2.98Å |
| 836 | A | 86.1 | Confident | 86.4 | Confident | 61 Ų | 61 | 89.8 Ų | 89.8 | 50% | 0.504 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68 | -41 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q832 A833 N834 K839 S840 | Q832-A836 PolarHBondContact O-N 3.24Å; Q832-A836 VanDerWaalsContact O-N 3.14Å; A833-A836 WeakPolarHBondContact O-CB 3.28Å; A833-A836 PolarHBondContact O-N 3.38Å; A833-A836 VanDerWaalsContact O-N 3.12Å; N834-A836 VanDerWaalsContact C-N 3.34Å; A836-K839 PolarHBondContact O-N 3.1Å; A836-S840 PolarHBondContact O-N 3.44Å |
| 837 | E | 84.8 | Confident | 86.4 | Confident | 120 Ų | 120 | 90.5 Ų | 90.5 | 56% | 0.561 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.1 | -48.6 | 175.1 | -166.8 | -169.1 | 144.5 | 0 | 0 | 111.4 | A833 N834 K839 S840 N841 | A833-E837 PolarHBondContact O-N 3.14Å; N834-E837 PolarHBondContact O-N 3.31Å; E837-K839 VanDerWaalsContact C-N 3.25Å; E837-K839 PolarHBondContact O-N 3.34Å; E837-S840 PolarHBondContact O-N 3.43Å; E837-S840 VanDerWaalsContact O-N 3.1Å; E837-N841 VanDerWaalsContact O-CG 3.31Å; E837-N841 PolarHBondContact O-N 3.38Å; E837-N841 PolarHBondContact O-ND2 2.76Å |
| 838 | I | 88.3 | Confident | 86.3 | Confident | 117 Ų | 117 | 91.3 Ų | 91.3 | 60% | 0.6 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -57.3 | -40.1 | 176.2 | -70.4 | 165.3 | 0 | 0 | 0 | 110.8 | N834 N841 A842 | N834-I838 WeakPolarHBondContact O-CB 3.47Å; N834-I838 WeakPolarHBondContact O-CD1 3.34Å; N834-I838 VanDerWaalsContact O-CG1 3.23Å; N834-I838 WeakPolarHBondContact O-CG1 3.43Å; N834-I838 PolarHBondContact O-N 3.16Å; I838-N841 PolarHBondContact O-N 2.93Å; I838-A842 WeakPolarHBondContact O-CB 3.48Å; I838-A842 PolarHBondContact O-N 2.95Å |
| 839 | K | 89.5 | Confident | 86.3 | Confident | 132 Ų | 132 | 92.1 Ų | 92.1 | 57% | 0.574 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.6 | -48.4 | 174.5 | -173.6 | -175.4 | 173 | -171.6 | 0 | 111.9 | L835 A836 E837 N841 A842 D843 | L835-K839 WeakPolarHBondContact O-CB 3.42Å; L835-K839 PolarHBondContact O-N 2.98Å; A836-K839 PolarHBondContact O-N 3.1Å; E837-K839 VanDerWaalsContact C-N 3.25Å; E837-K839 PolarHBondContact O-N 3.34Å; K839-N841 VanDerWaalsContact C-N 3.26Å; K839-N841 PolarHBondContact O-N 3.35Å; K839-A842 WeakPolarHBondContact O-CB 3.42Å; K839-A842 PolarHBondContact O-N 2.94Å; K839-A842 VanDerWaalsContact O-N 3.09Å; K839-D843 WeakPolarHBondContact CE-OD2 3.33Å; K839-D843 PolarHBondContact O-N 3.37Å |
| 840 | S | 87.4 | Confident | 86.1 | Confident | 70 Ų | 70 | 91.3 Ų | 91.3 | 49% | 0.49 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.6 | -40.5 | 178.2 | -169.7 | 0 | 0 | 0 | 0 | 111.8 | A836 E837 D843 Q844 | A836-S840 PolarHBondContact O-N 3.44Å; E837-S840 PolarHBondContact O-N 3.43Å; E837-S840 VanDerWaalsContact O-N 3.1Å; S840-D843 PolarHBondContact O-N 2.88Å; S840-Q844 WeakPolarHBondContact O-CB 3.43Å; S840-Q844 PolarHBondContact O-N 3.31Å |
| 841 | N | 87.5 | Confident | 85.9 | Confident | 65 Ų | 65 | 91.7 Ų | 91.7 | 35% | 0.348 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.7 | -36.3 | 176.5 | -67.7 | -21.2 | 0 | 0 | 0 | 111.8 | E837 I838 K839 M845 | E837-N841 VanDerWaalsContact O-CG 3.31Å; E837-N841 PolarHBondContact O-N 3.38Å; E837-N841 PolarHBondContact O-ND2 2.76Å; I838-N841 PolarHBondContact O-N 2.93Å; K839-N841 VanDerWaalsContact C-N 3.26Å; K839-N841 PolarHBondContact O-N 3.35Å; N841-M845 WeakPolarHBondContact O-CG 3.5Å; N841-M845 PolarHBondContact O-N 3.39Å |
| 842 | A | 85.7 | Confident | 85.8 | Confident | 45 Ų | 45 | 91.4 Ų | 91.4 | 37% | 0.372 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.3 | -44.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I838 K839 Q844 M845 Q846 | I838-A842 WeakPolarHBondContact O-CB 3.48Å; I838-A842 PolarHBondContact O-N 2.95Å; K839-A842 WeakPolarHBondContact O-CB 3.42Å; K839-A842 PolarHBondContact O-N 2.94Å; K839-A842 VanDerWaalsContact O-N 3.09Å; A842-Q844 VanDerWaalsContact C-N 3.29Å; A842-Q844 PolarHBondContact O-N 2.93Å; A842-M845 PolarHBondContact O-N 2.81Å; A842-Q846 PolarHBondContact O-N 3.18Å |
| 843 | D | 87.1 | Confident | 85.6 | Confident | 96 Ų | 96 | 91.6 Ų | 91.6 | 51% | 0.513 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.9 | -38 | 176 | -70 | -29.4 | 0 | 0 | 0 | 110.8 | K839 S840 C847 | K839-D843 WeakPolarHBondContact CE-OD2 3.33Å; K839-D843 PolarHBondContact O-N 3.37Å; S840-D843 PolarHBondContact O-N 2.88Å; D843-C847 PolarHBondContact O-N 3.42Å; D843-C847 VanDerWaalsContact O-N 3.12Å |
| 844 | Q | 89 | Confident | 85.5 | Confident | 110 Ų | 110 | 92 Ų | 92 | 51% | 0.514 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.2 | -47 | 172.5 | -179.9 | 175.3 | -16.1 | 0 | 0 | 112.7 | S840 A842 Q846 C847 Q848 | S840-Q844 WeakPolarHBondContact O-CB 3.43Å; S840-Q844 PolarHBondContact O-N 3.31Å; A842-Q844 VanDerWaalsContact C-N 3.29Å; A842-Q844 PolarHBondContact O-N 2.93Å; Q844-Q846 VanDerWaalsContact C-N 3.31Å; Q844-Q846 PolarHBondContact O-N 3.46Å; Q844-C847 WeakPolarHBondContact O-CB 3.39Å; Q844-C847 PolarHBondContact O-N 3.21Å; Q844-Q848 PolarHBondContact O-N 2.86Å |
| 845 | M | 82.5 | Confident | 85.3 | Confident | 93 Ų | 93 | 92.7 Ų | 92.7 | 46% | 0.458 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.5 | -37.5 | 177.2 | -75.7 | -174 | -66.6 | 0 | 0 | 112 | N841 A842 C847 Q848 L849 | N841-M845 WeakPolarHBondContact O-CG 3.5Å; N841-M845 PolarHBondContact O-N 3.39Å; A842-M845 PolarHBondContact O-N 2.81Å; M845-C847 VanDerWaalsContact C-N 3.34Å; M845-C847 PolarHBondContact O-N 3.25Å; M845-Q848 PolarHBondContact O-N 3.32Å; M845-L849 WeakPolarHBondContact O-CG 3.36Å; M845-L849 PolarHBondContact O-N 3.45Å |
| 846 | Q | 87.1 | Confident | 84.8 | Confident | 105 Ų | 105 | 94.8 Ų | 94.8 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.5 | -40.3 | 174.2 | -172.3 | 63.5 | 64.8 | 0 | 0 | 111.6 | A842 Q844 Q848 L849 N850 | A842-Q846 PolarHBondContact O-N 3.18Å; Q844-Q846 VanDerWaalsContact C-N 3.31Å; Q844-Q846 PolarHBondContact O-N 3.46Å; Q846-Q848 VanDerWaalsContact C-N 3.34Å; Q846-Q848 PolarHBondContact O-N 2.81Å; Q846-L849 PolarHBondContact O-N 2.77Å; Q846-N850 PolarHBondContact NE2-OD1 3.04Å; Q846-N850 PolarHBondContact O-N 2.96Å; Q846-N850 PolarHBondContact O-OD1 3.25Å; Q846-N850 VanDerWaalsContact O-OD1 3.04Å |
| 847 | C | 83.7 | Confident | 84.6 | Confident | 68 Ų | 68 | 95.7 Ų | 95.7 | 46% | 0.459 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.4 | -38.4 | 174.8 | -170.1 | 0 | 0 | 0 | 0 | 112.4 | D843 Q844 M845 Q851 | D843-C847 PolarHBondContact O-N 3.42Å; D843-C847 VanDerWaalsContact O-N 3.12Å; Q844-C847 WeakPolarHBondContact O-CB 3.39Å; Q844-C847 PolarHBondContact O-N 3.21Å; M845-C847 VanDerWaalsContact C-N 3.34Å; M845-C847 PolarHBondContact O-N 3.25Å; C847-Q851 WeakPolarHBondContact O-CG 3.35Å; C847-Q851 PolarHBondContact O-N 2.89Å; C847-Q851 PolarHBondContact O-NE2 3.37Å; C847-Q851 PolarHBondContact SG-NE2 3.16Å |
| 848 | Q | 82.5 | Confident | 84.4 | Confident | 76 Ų | 76 | 94.1 Ų | 94.1 | 36% | 0.355 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.5 | -42.1 | 175.1 | -70.9 | 179.6 | -38.3 | 0 | 0 | 112.3 | Q844 M845 Q846 N850 Q851 I852 | Q844-Q848 PolarHBondContact O-N 2.86Å; M845-Q848 PolarHBondContact O-N 3.32Å; Q846-Q848 VanDerWaalsContact C-N 3.34Å; Q846-Q848 PolarHBondContact O-N 2.81Å; Q848-N850 PolarHBondContact O-N 2.99Å; Q848-Q851 PolarHBondContact O-N 3.41Å; Q848-I852 WeakPolarHBondContact O-CG1 3.45Å; Q848-I852 PolarHBondContact O-N 3.36Å |
| 849 | L | 84.1 | Confident | 84 | Confident | 100 Ų | 100 | 93.1 Ų | 93.1 | 52% | 0.524 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.4 | -46.2 | 175.2 | -77.9 | 168.1 | 0 | 0 | 0 | 111.7 | M845 Q846 Q851 I852 E853 | M845-L849 WeakPolarHBondContact O-CG 3.36Å; M845-L849 PolarHBondContact O-N 3.45Å; Q846-L849 PolarHBondContact O-N 2.77Å; L849-Q851 VanDerWaalsContact C-N 3.26Å; L849-Q851 PolarHBondContact O-N 2.97Å; L849-I852 PolarHBondContact O-N 3.45Å; L849-I852 VanDerWaalsContact O-N 3.14Å; L849-E853 WeakPolarHBondContact O-CB 3.49Å; L849-E853 PolarHBondContact O-N 2.75Å |
| 850 | N | 83.4 | Confident | 83.6 | Confident | 85 Ų | 85 | 90.2 Ų | 90.2 | 46% | 0.455 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.2 | -35.9 | 177.6 | -65.2 | 5.9 | 0 | 0 | 0 | 112.3 | Q846 Q848 S854 | Q846-N850 PolarHBondContact NE2-OD1 3.04Å; Q846-N850 PolarHBondContact O-N 2.96Å; Q846-N850 PolarHBondContact O-OD1 3.25Å; Q846-N850 VanDerWaalsContact O-OD1 3.04Å; Q848-N850 PolarHBondContact O-N 2.99Å; N850-S854 WeakPolarHBondContact O-CB 3.46Å; N850-S854 PolarHBondContact O-N 2.97Å; N850-S854 VanDerWaalsContact O-N 3.11Å |
| 851 | Q | 84.3 | Confident | 83.1 | Confident | 92 Ų | 92 | 94.2 Ų | 94.2 | 43% | 0.43 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70.4 | -41.1 | 175.1 | -72.5 | 172.1 | 59.9 | 0 | 0 | 112.1 | C847 Q848 L849 S854 N855 | C847-Q851 WeakPolarHBondContact O-CG 3.35Å; C847-Q851 PolarHBondContact O-N 2.89Å; C847-Q851 PolarHBondContact O-NE2 3.37Å; C847-Q851 PolarHBondContact SG-NE2 3.16Å; Q848-Q851 PolarHBondContact O-N 3.41Å; L849-Q851 VanDerWaalsContact C-N 3.26Å; L849-Q851 PolarHBondContact O-N 2.97Å; Q851-S854 PolarHBondContact O-N 2.84Å; Q851-N855 WeakPolarHBondContact O-CB 3.39Å; Q851-N855 PolarHBondContact O-N 3.43Å; Q851-N855 PolarHBondContact O-ND2 2.88Å |
| 852 | I | 85.3 | Confident | 82.6 | Confident | 109 Ų | 109 | 93.4 Ų | 93.4 | 56% | 0.559 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65 | -41.9 | 176.9 | -68.2 | 164.8 | 0 | 0 | 0 | 110.8 | Q848 L849 N855 W856 | Q848-I852 WeakPolarHBondContact O-CG1 3.45Å; Q848-I852 PolarHBondContact O-N 3.36Å; L849-I852 PolarHBondContact O-N 3.45Å; L849-I852 VanDerWaalsContact O-N 3.14Å; I852-N855 PolarHBondContact O-N 3.39Å; I852-W856 WeakPolarHBondContact O-CB 3.34Å; I852-W856 PolarHBondContact O-N 3.12Å |
| 853 | E | 82.4 | Confident | 82 | Confident | 140 Ų | 140 | 95.4 Ų | 95.4 | 65% | 0.654 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.6 | -42.1 | 176.3 | -174.3 | 172.2 | -159.3 | 0 | 0 | 112 | L849 W856 S857 | L849-E853 WeakPolarHBondContact O-CB 3.49Å; L849-E853 PolarHBondContact O-N 2.75Å; E853-W856 PolarHBondContact O-N 3.47Å; E853-S857 PolarHBondContact O-N 2.85Å |
| 854 | S | 82.7 | Confident | 81.7 | Confident | 67 Ų | 67 | 95.7 Ų | 95.7 | 47% | 0.469 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62 | -48.1 | 173.7 | -175.6 | 0 | 0 | 0 | 0 | 112 | N850 Q851 W856 S857 I858 | N850-S854 WeakPolarHBondContact O-CB 3.46Å; N850-S854 PolarHBondContact O-N 2.97Å; N850-S854 VanDerWaalsContact O-N 3.11Å; Q851-S854 PolarHBondContact O-N 2.84Å; S854-W856 PolarHBondContact O-N 3.07Å; S854-S857 WeakPolarHBondContact O-CB 3.39Å; S854-S857 PolarHBondContact O-N 2.92Å; S854-I858 WeakPolarHBondContact O-CG1 3.41Å; S854-I858 PolarHBondContact O-N 2.98Å; S854-I858 VanDerWaalsContact O-N 3.13Å |
| 855 | N | 83 | Confident | 81 | Confident | 72 Ų | 72 | 96.1 Ų | 96.1 | 39% | 0.385 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.4 | -40.7 | 177.5 | -71.1 | -17 | 0 | 0 | 0 | 112 | Q851 I852 S857 I858 I859 | Q851-N855 WeakPolarHBondContact O-CB 3.39Å; Q851-N855 PolarHBondContact O-N 3.43Å; Q851-N855 PolarHBondContact O-ND2 2.88Å; I852-N855 PolarHBondContact O-N 3.39Å; N855-S857 VanDerWaalsContact C-N 3.34Å; N855-S857 PolarHBondContact O-N 3.28Å; N855-I858 PolarHBondContact O-N 2.9Å; N855-I859 VanDerWaalsContact O-CG1 3.3Å; N855-I859 WeakPolarHBondContact O-CG1 3.29Å; N855-I859 PolarHBondContact O-N 3.02Å |
| 856 | W | 75.5 | Confident | 80.8 | Confident | 168 Ų | 168 | 95.4 Ų | 95.4 | 64% | 0.636 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.7 | -41.2 | 175.4 | -179.5 | -102.2 | 0 | 0 | 0 | 112 | I852 E853 S854 I858 I859 N860 | I852-W856 WeakPolarHBondContact O-CB 3.34Å; I852-W856 PolarHBondContact O-N 3.12Å; E853-W856 PolarHBondContact O-N 3.47Å; S854-W856 PolarHBondContact O-N 3.07Å; W856-I858 VanDerWaalsContact C-N 3.34Å; W856-I858 PolarHBondContact O-N 2.92Å; W856-I859 PolarHBondContact O-N 3.31Å; W856-N860 VanDerWaalsContact O-CB 3.27Å; W856-N860 WeakPolarHBondContact O-CB 3.42Å; W856-N860 PolarHBondContact O-N 3.36Å |
| 857 | S | 80.8 | Confident | 80.4 | Confident | 79 Ų | 79 | 96.1 Ų | 96.1 | 55% | 0.552 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.5 | -42.1 | 175.2 | -162.9 | 0 | 0 | 0 | 0 | 112.2 | E853 S854 N855 R861 | E853-S857 PolarHBondContact O-N 2.85Å; S854-S857 WeakPolarHBondContact O-CB 3.39Å; S854-S857 PolarHBondContact O-N 2.92Å; N855-S857 VanDerWaalsContact C-N 3.34Å; N855-S857 PolarHBondContact O-N 3.28Å; S857-R861 WeakPolarHBondContact O-CB 3.4Å; S857-R861 PolarHBondContact O-N 2.71Å; S857-R861 VanDerWaalsContact O-N 3.14Å |
| 858 | I | 80.1 | Confident | 80.1 | Confident | 88 Ų | 88 | 94.5 Ų | 94.5 | 45% | 0.451 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.2 | -47.5 | 176.8 | -64.3 | 165.9 | 0 | 0 | 0 | 110.8 | S854 N855 W856 N860 R861 A862 | S854-I858 WeakPolarHBondContact O-CG1 3.41Å; S854-I858 PolarHBondContact O-N 2.98Å; S854-I858 VanDerWaalsContact O-N 3.13Å; N855-I858 PolarHBondContact O-N 2.9Å; W856-I858 VanDerWaalsContact C-N 3.34Å; W856-I858 PolarHBondContact O-N 2.92Å; I858-N860 PolarHBondContact O-N 3.24Å; I858-R861 PolarHBondContact O-N 2.71Å; I858-R861 VanDerWaalsContact O-N 3.16Å; I858-A862 PolarHBondContact O-N 3.27Å |
| 859 | I | 79.7 | Confident | 79.8 | Confident | 96 Ų | 96 | 93.4 Ų | 93.4 | 49% | 0.492 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.7 | -45.9 | 178.6 | -69.5 | 165.4 | 0 | 0 | 0 | 111 | N855 W856 R861 A862 M863 | N855-I859 VanDerWaalsContact O-CG1 3.3Å; N855-I859 WeakPolarHBondContact O-CG1 3.29Å; N855-I859 PolarHBondContact O-N 3.02Å; W856-I859 PolarHBondContact O-N 3.31Å; I859-R861 PolarHBondContact O-N 3.46Å; I859-A862 PolarHBondContact O-N 2.85Å; I859-M863 WeakPolarHBondContact O-CB 3.2Å; I859-M863 PolarHBondContact O-N 2.89Å |
| 860 | N | 82.5 | Confident | 79.4 | Confident | 70 Ų | 70 | 94 Ų | 94 | 37% | 0.374 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.1 | -29.6 | 178.2 | -173.3 | 58 | 0 | 0 | 0 | 112.5 | W856 I858 Q864 | W856-N860 VanDerWaalsContact O-CB 3.27Å; W856-N860 WeakPolarHBondContact O-CB 3.42Å; W856-N860 PolarHBondContact O-N 3.36Å; I858-N860 PolarHBondContact O-N 3.24Å; N860-Q864 PolarHBondContact ND2-NE2 2.72Å; N860-Q864 WeakPolarHBondContact O-CG 3.3Å; N860-Q864 PolarHBondContact O-N 2.59Å; N860-Q864 PolarHBondContact O-NE2 3.33Å |
| 861 | R | 76.9 | Confident | 79.2 | Confident | 154 Ų | 154 | 96.6 Ų | 96.6 | 58% | 0.581 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -78.9 | -38 | 174.4 | -171 | 174.3 | -178.3 | 156.7 | -1.5 | 112.7 | S857 I858 I859 M863 Q864 Y865 | S857-R861 WeakPolarHBondContact O-CB 3.4Å; S857-R861 PolarHBondContact O-N 2.71Å; S857-R861 VanDerWaalsContact O-N 3.14Å; I858-R861 PolarHBondContact O-N 2.71Å; I858-R861 VanDerWaalsContact O-N 3.16Å; I859-R861 PolarHBondContact O-N 3.46Å; R861-M863 VanDerWaalsContact C-N 3.31Å; R861-Q864 PolarHBondContact O-N 3.38Å; R861-Y865 HydrophobicContact CG-CD2 4.39Å; R861-Y865 HydrophobicContact CG-CE2 3.76Å; R861-Y865 PolarHBondContact NE-OH 2.81Å; R861-Y865 PolarHBondContact NH2-OH 2.82Å; R861-Y865 VanDerWaalsContact NH2-OH 3.14Å; R861-Y865 VanDerWaalsContact O-CD2 3.23Å; R861-Y865 WeakPolarHBondContact O-CD2 3.21Å; R861-Y865 PolarHBondContact O-N 3.28Å |
| 862 | A | 76 | Confident | 79 | Confident | 49 Ų | 49 | 93.2 Ų | 93.2 | 41% | 0.405 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.7 | -41.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | I858 I859 Q864 Y865 C866 | I858-A862 PolarHBondContact O-N 3.27Å; I859-A862 PolarHBondContact O-N 2.85Å; A862-Q864 PolarHBondContact O-N 3.34Å; A862-Y865 PolarHBondContact O-N 3.17Å; A862-Y865 VanDerWaalsContact O-N 3.1Å; A862-C866 PolarHBondContact O-N 2.78Å; A862-C866 PolarHBondContact O-SG 2.91Å; A862-C866 VanDerWaalsContact O-SG 3.39Å |
| 863 | M | 74.2 | Confident | 78.5 | Confident | 86 Ų | 86 | 90.5 Ų | 90.5 | 42% | 0.424 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -55.3 | -47.1 | 176.1 | -166.2 | -176.1 | -52.5 | 0 | 0 | 112.4 | I859 R861 Y865 C866 E867 | I859-M863 WeakPolarHBondContact O-CB 3.2Å; I859-M863 PolarHBondContact O-N 2.89Å; R861-M863 VanDerWaalsContact C-N 3.31Å; M863-Y865 VanDerWaalsContact C-N 3.28Å; M863-Y865 PolarHBondContact O-N 3.35Å; M863-C866 WeakPolarHBondContact O-CA 3.26Å; M863-C866 WeakPolarHBondContact O-CB 3.4Å; M863-C866 PolarHBondContact O-N 2.94Å; M863-E867 WeakPolarHBondContact O-CG 3.46Å; M863-E867 PolarHBondContact O-N 3.35Å |
| 864 | Q | 80.3 | Confident | 78.4 | Confident | 102 Ų | 102 | 88.8 Ų | 88.8 | 48% | 0.477 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.6 | -33.1 | 176.9 | -71.3 | 161.9 | 51.1 | 0 | 0 | 113.1 | N860 R861 A862 A868 | N860-Q864 PolarHBondContact ND2-NE2 2.72Å; N860-Q864 WeakPolarHBondContact O-CG 3.3Å; N860-Q864 PolarHBondContact O-N 2.59Å; N860-Q864 PolarHBondContact O-NE2 3.33Å; R861-Q864 PolarHBondContact O-N 3.38Å; A862-Q864 PolarHBondContact O-N 3.34Å; Q864-A868 PolarHBondContact O-N 3.42Å; Q864-A868 VanDerWaalsContact O-N 3.15Å |
| 865 | Y | 73.4 | Confident | 78.1 | Confident | 119 Ų | 119 | 89 Ų | 89 | 47% | 0.467 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -74.3 | -33.2 | 173.5 | -65.3 | -51.8 | 0 | 0 | 0 | 112.3 | R861 A862 M863 A869 | R861-Y865 HydrophobicContact CG-CD2 4.39Å; R861-Y865 HydrophobicContact CG-CE2 3.76Å; R861-Y865 PolarHBondContact NE-OH 2.81Å; R861-Y865 PolarHBondContact NH2-OH 2.82Å; R861-Y865 VanDerWaalsContact NH2-OH 3.14Å; R861-Y865 VanDerWaalsContact O-CD2 3.23Å; R861-Y865 WeakPolarHBondContact O-CD2 3.21Å; R861-Y865 PolarHBondContact O-N 3.28Å; A862-Y865 PolarHBondContact O-N 3.17Å; A862-Y865 VanDerWaalsContact O-N 3.1Å; M863-Y865 VanDerWaalsContact C-N 3.28Å; M863-Y865 PolarHBondContact O-N 3.35Å; Y865-A869 WeakPolarHBondContact O-CB 3.45Å; Y865-A869 PolarHBondContact O-N 3Å |
| 866 | C | 79.2 | Confident | 77.8 | Confident | 79 Ų | 79 | 87.4 Ų | 87.4 | 53% | 0.534 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.3 | -41.8 | 171.9 | -64.6 | 0 | 0 | 0 | 0 | 112.1 | A862 M863 A869 L870 | A862-C866 PolarHBondContact O-N 2.78Å; A862-C866 PolarHBondContact O-SG 2.91Å; A862-C866 VanDerWaalsContact O-SG 3.39Å; M863-C866 WeakPolarHBondContact O-CA 3.26Å; M863-C866 WeakPolarHBondContact O-CB 3.4Å; M863-C866 PolarHBondContact O-N 2.94Å; C866-A869 PolarHBondContact O-N 3.21Å; C866-L870 WeakPolarHBondContact O-CG 3Å; C866-L870 PolarHBondContact O-N 3Å |
| 867 | E | 78.1 | Confident | 78 | Confident | 119 Ų | 119 | 83.9 Ų | 83.9 | 56% | 0.556 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -59.9 | -48.2 | 174.4 | -70.6 | 175.9 | 151 | 0 | 0 | 111.2 | M863 A869 L870 E871 | M863-E867 WeakPolarHBondContact O-CG 3.46Å; M863-E867 PolarHBondContact O-N 3.35Å; E867-A869 VanDerWaalsContact C-N 3.31Å; E867-A869 PolarHBondContact O-N 2.97Å; E867-L870 PolarHBondContact O-N 3.21Å; E867-E871 PolarHBondContact O-N 3.17Å |
| 868 | A | 77.7 | Confident | 78 | Confident | 34 Ų | 34 | 86.2 Ų | 86.2 | 28% | 0.281 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.1 | -34.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q864 V872 | Q864-A868 PolarHBondContact O-N 3.42Å; Q864-A868 VanDerWaalsContact O-N 3.15Å; A868-V872 WeakPolarHBondContact O-CG2 3.21Å; A868-V872 PolarHBondContact O-N 3.01Å; A868-V872 VanDerWaalsContact O-N 3.13Å |
| 869 | A | 76.7 | Confident | 77.8 | Confident | 53 Ų | 53 | 83.2 Ų | 83.2 | 44% | 0.438 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -69.1 | -36.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y865 C866 E867 S873 | Y865-A869 WeakPolarHBondContact O-CB 3.45Å; Y865-A869 PolarHBondContact O-N 3Å; C866-A869 PolarHBondContact O-N 3.21Å; E867-A869 VanDerWaalsContact C-N 3.31Å; E867-A869 PolarHBondContact O-N 2.97Å; A869-S873 WeakPolarHBondContact O-CB 3.43Å; A869-S873 PolarHBondContact O-N 3.34Å |
| 870 | L | 76.5 | Confident | 77.6 | Confident | 113 Ų | 113 | 85 Ų | 85 | 59% | 0.592 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -66.7 | -44.1 | 173.3 | -72.1 | 169.3 | 0 | 0 | 0 | 111.5 | C866 E867 V872 S873 D874 | C866-L870 WeakPolarHBondContact O-CG 3Å; C866-L870 PolarHBondContact O-N 3Å; E867-L870 PolarHBondContact O-N 3.21Å; L870-V872 VanDerWaalsContact C-N 3.32Å; L870-V872 PolarHBondContact O-N 3.16Å; L870-S873 WeakPolarHBondContact O-CB 3.36Å; L870-S873 PolarHBondContact O-N 3.12Å; L870-S873 VanDerWaalsContact O-N 3.1Å; L870-D874 PolarHBondContact O-N 2.89Å |
| 871 | E | 79.1 | Confident | 77.3 | Confident | 139 Ų | 139 | 84.7 Ų | 84.7 | 65% | 0.65 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -58 | -43 | 175.5 | -173.6 | 179 | -162.6 | 0 | 0 | 111.9 | E867 D874 C875 | E867-E871 PolarHBondContact O-N 3.17Å; E871-D874 PolarHBondContact O-N 3.32Å; E871-C875 WeakPolarHBondContact O-CB 3.48Å; E871-C875 PolarHBondContact O-N 3.42Å; E871-C875 PolarHBondContact O-SG 3.22Å |
| 872 | V | 79.5 | Confident | 77.3 | Confident | 22 Ų | 22 | 79.9 Ų | 79.9 | 13% | 0.133 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -66.6 | -38.3 | 174.9 | 171.8 | 0 | 0 | 0 | 0 | 112 | A868 L870 C875 L876 V1000 A1004 I1007 | A868-V872 WeakPolarHBondContact O-CG2 3.21Å; A868-V872 PolarHBondContact O-N 3.01Å; A868-V872 VanDerWaalsContact O-N 3.13Å; L870-V872 VanDerWaalsContact C-N 3.32Å; L870-V872 PolarHBondContact O-N 3.16Å; V872-C875 PolarHBondContact O-N 3.11Å; V872-L876 HydrophobicContact CG1-CD1 4.19Å; V872-L876 WeakPolarHBondContact O-CG 3.29Å; V872-L876 PolarHBondContact O-N 3.21Å; V872-V1000 HydrophobicContact CG1-CG1 4.11Å; V872-A1004 HydrophobicContact CG1-CB 4.03Å; V872-I1007 HydrophobicContact CG2-CD1 4.33Å |
| 873 | S | 74.1 | Confident | 77.3 | Confident | 51 Ų | 51 | 78.8 Ų | 78.8 | 36% | 0.357 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.1 | -45 | 174.5 | 176.8 | 0 | 0 | 0 | 0 | 111.9 | A869 L870 L876 N877 | A869-S873 WeakPolarHBondContact O-CB 3.43Å; A869-S873 PolarHBondContact O-N 3.34Å; L870-S873 WeakPolarHBondContact O-CB 3.36Å; L870-S873 PolarHBondContact O-N 3.12Å; L870-S873 VanDerWaalsContact O-N 3.1Å; S873-L876 PolarHBondContact O-N 2.93Å; S873-N877 PolarHBondContact O-N 2.91Å |
| 874 | D | 80.3 | Confident | 77.2 | Confident | 105 Ų | 105 | 78.9 Ų | 78.9 | 56% | 0.561 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -68.1 | -37.6 | 178.1 | -76.5 | -15.6 | 0 | 0 | 0 | 112 | L870 E871 L876 N877 Q878 | L870-D874 PolarHBondContact O-N 2.89Å; E871-D874 PolarHBondContact O-N 3.32Å; D874-L876 VanDerWaalsContact C-N 3.34Å; D874-L876 PolarHBondContact O-N 3.35Å; D874-N877 PolarHBondContact O-N 2.79Å; D874-Q878 WeakPolarHBondContact O-CB 3.35Å; D874-Q878 PolarHBondContact O-N 3Å |
| 875 | C | 76.9 | Confident | 77.1 | Confident | 71 Ų | 71 | 76.9 Ų | 76.9 | 48% | 0.48 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -58.5 | -42.4 | 169.1 | -80.4 | 0 | 0 | 0 | 0 | 112.6 | E871 V872 L879 | E871-C875 WeakPolarHBondContact O-CB 3.48Å; E871-C875 PolarHBondContact O-N 3.42Å; E871-C875 PolarHBondContact O-SG 3.22Å; V872-C875 PolarHBondContact O-N 3.11Å; C875-L879 VanDerWaalsContact O-CB 3.27Å; C875-L879 WeakPolarHBondContact O-CB 3.36Å; C875-L879 PolarHBondContact O-N 2.69Å |
| 876 | L | 77 | Confident | 77 | Confident | 39 Ų | 39 | 74.2 Ų | 74.2 | 20% | 0.204 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -68.8 | -39.3 | 176.7 | -75.3 | 168.4 | 0 | 0 | 0 | 112.7 | V872 S873 D874 L879 Y880 V1000 E1001 | V872-L876 HydrophobicContact CG1-CD1 4.19Å; V872-L876 WeakPolarHBondContact O-CG 3.29Å; V872-L876 PolarHBondContact O-N 3.21Å; S873-L876 PolarHBondContact O-N 2.93Å; D874-L876 VanDerWaalsContact C-N 3.34Å; D874-L876 PolarHBondContact O-N 3.35Å; L876-L879 PolarHBondContact O-N 3.06Å; L876-Y880 WeakPolarHBondContact O-CB 2.81Å; L876-Y880 PolarHBondContact O-N 3.15Å; L876-V1000 HydrophobicContact CD1-CG1 4.41Å; L876-V1000 HydrophobicContact CD2-CB 4.29Å; L876-V1000 HydrophobicContact CD2-CG1 3.75Å; L876-V1000 HydrophobicContact CG-CG1 3.84Å; L876-E1001 HydrophobicContact CD2-CG 4.39Å |
| 877 | N | 78.9 | Confident | 76.8 | Confident | 93 Ų | 93 | 73.7 Ų | 73.7 | 50% | 0.497 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 174.6 | -84.9 | -28.9 | 0 | 0 | 0 | 112 | S873 D874 Y880 S881 | S873-N877 PolarHBondContact O-N 2.91Å; D874-N877 PolarHBondContact O-N 2.79Å; N877-Y880 PolarHBondContact O-N 3.12Å; N877-S881 WeakPolarHBondContact O-CB 3.35Å; N877-S881 PolarHBondContact O-N 3.46Å; N877-S881 PolarHBondContact O-OG 3.14Å |
| 878 | Q | 80.5 | Confident | 76.5 | Confident | 129 Ų | 129 | 72.7 Ų | 72.7 | 60% | 0.603 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -64.4 | -43.1 | 175.4 | -175.5 | 64.2 | 1.6 | 0 | 0 | 110.8 | D874 S881 T882 | D874-Q878 WeakPolarHBondContact O-CB 3.35Å; D874-Q878 PolarHBondContact O-N 3Å; Q878-S881 WeakPolarHBondContact O-CB 3.32Å; Q878-S881 PolarHBondContact O-N 3.05Å; Q878-T882 WeakPolarHBondContact O-CG2 3.36Å; Q878-T882 PolarHBondContact O-N 3.21Å |
| 879 | L | 75.7 | Confident | 76.1 | Confident | 24 Ų | 24 | 77.1 Ų | 77.1 | 13% | 0.126 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -62.1 | -45.8 | 176.9 | -164.4 | 72.5 | 0 | 0 | 0 | 111.6 | C875 L876 S881 T882 E883 L993 L996 R997 | C875-L879 VanDerWaalsContact O-CB 3.27Å; C875-L879 WeakPolarHBondContact O-CB 3.36Å; C875-L879 PolarHBondContact O-N 2.69Å; L876-L879 PolarHBondContact O-N 3.06Å; L879-S881 VanDerWaalsContact C-N 3.35Å; L879-S881 PolarHBondContact O-N 2.9Å; L879-T882 PolarHBondContact O-N 3.44Å; L879-T882 PolarHBondContact O-OG1 2.89Å; L879-E883 PolarHBondContact O-N 3.43Å; L879-L993 HydrophobicContact CD1-CD2 3.59Å; L879-L993 HydrophobicContact CD1-CG 4.11Å; L879-L993 HydrophobicContact CD2-CD2 4.36Å; L879-L993 HydrophobicContact CG-CD2 3.73Å; L879-L996 HydrophobicContact CD1-CD2 4.36Å; L879-R997 HydrophobicContact CD2-CB 3.7Å |
| 880 | Y | 75.4 | Confident | 75.7 | Confident | 133 Ų | 133 | 82.4 Ų | 82.4 | 52% | 0.522 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.8 | -41.8 | 175.4 | -174.7 | -106.7 | 0 | 0 | 0 | 112.3 | L876 N877 T882 E883 L884 | L876-Y880 WeakPolarHBondContact O-CB 2.81Å; L876-Y880 PolarHBondContact O-N 3.15Å; N877-Y880 PolarHBondContact O-N 3.12Å; Y880-T882 VanDerWaalsContact C-N 3.32Å; Y880-T882 PolarHBondContact O-N 2.92Å; Y880-E883 PolarHBondContact O-N 3.43Å; Y880-L884 WeakPolarHBondContact O-CB 3.25Å; Y880-L884 PolarHBondContact O-N 3.41Å |
| 881 | S | 76.1 | Confident | 75 | Confident | 64 Ų | 64 | 82.9 Ų | 82.9 | 45% | 0.448 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.8 | -39.8 | 175.2 | -59.5 | 0 | 0 | 0 | 0 | 112 | N877 Q878 L879 A885 | N877-S881 WeakPolarHBondContact O-CB 3.35Å; N877-S881 PolarHBondContact O-N 3.46Å; N877-S881 PolarHBondContact O-OG 3.14Å; Q878-S881 WeakPolarHBondContact O-CB 3.32Å; Q878-S881 PolarHBondContact O-N 3.05Å; L879-S881 VanDerWaalsContact C-N 3.35Å; L879-S881 PolarHBondContact O-N 2.9Å; S881-A885 WeakPolarHBondContact O-CB 3.28Å; S881-A885 PolarHBondContact O-N 2.79Å |
| 882 | T | 78.2 | Confident | 73.9 | Confident | 53 Ų | 53 | 79 Ų | 79 | 33% | 0.325 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -70.4 | -38.4 | 174 | 64.3 | 0 | 0 | 0 | 0 | 113.3 | Q878 L879 Y880 A885 V886 | Q878-T882 WeakPolarHBondContact O-CG2 3.36Å; Q878-T882 PolarHBondContact O-N 3.21Å; L879-T882 PolarHBondContact O-N 3.44Å; L879-T882 PolarHBondContact O-OG1 2.89Å; Y880-T882 VanDerWaalsContact C-N 3.32Å; Y880-T882 PolarHBondContact O-N 2.92Å; T882-A885 PolarHBondContact O-N 2.94Å; T882-V886 WeakPolarHBondContact O-CB 3.44Å; T882-V886 WeakPolarHBondContact O-CG2 3.41Å; T882-V886 PolarHBondContact O-N 3.31Å |
| 883 | E | 74.9 | Confident | 72.5 | Confident | 26 Ų | 26 | 83 Ų | 83 | 12% | 0.121 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -63.9 | -41.6 | 175.7 | -175.3 | 168.2 | -162.3 | 0 | 0 | 111.2 | L879 Y880 T887 L990 L993 K994 R997 | L879-E883 PolarHBondContact O-N 3.43Å; Y880-E883 PolarHBondContact O-N 3.43Å; E883-T887 WeakPolarHBondContact O-CB 3.3Å; E883-T887 PolarHBondContact O-N 3.13Å; E883-T887 PolarHBondContact O-OG1 3.16Å; E883-L990 HydrophobicContact CG-CD1 4.12Å; E883-L993 HydrophobicContact CB-CD2 4.26Å; E883-K994 WeakPolarHBondContact OE1-CE 3.29Å; E883-K994 IonicContact OE1-NZ 3.61Å; E883-R997 IonicContact OE2-NE 3.62Å |
| 884 | L | 73.8 | Confident | 71.2 | Confident | 89 Ų | 89 | 86.5 Ų | 86.5 | 47% | 0.466 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.3 | -46.9 | 174.5 | -177.9 | 60.3 | 0 | 0 | 0 | 111.7 | Y880 V886 T887 I888 | Y880-L884 WeakPolarHBondContact O-CB 3.25Å; Y880-L884 PolarHBondContact O-N 3.41Å; L884-V886 PolarHBondContact O-N 2.9Å; L884-T887 PolarHBondContact O-N 3.17Å; L884-I888 HydrophobicContact CD1-CD1 4.01Å; L884-I888 HydrophobicContact CD1-CG1 4.31Å; L884-I888 HydrophobicContact CG-CD1 3.92Å; L884-I888 WeakPolarHBondContact O-CG1 3.3Å; L884-I888 PolarHBondContact O-N 3.27Å |
| 885 | A | 76.3 | Confident | 69.5 | Low | 59 Ų | 59 | 87.3 Ų | 87.3 | 49% | 0.488 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.6 | -43.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S881 T882 T887 I888 F889 | S881-A885 WeakPolarHBondContact O-CB 3.28Å; S881-A885 PolarHBondContact O-N 2.79Å; T882-A885 PolarHBondContact O-N 2.94Å; A885-T887 VanDerWaalsContact C-N 3.32Å; A885-T887 PolarHBondContact O-N 3.42Å; A885-I888 PolarHBondContact O-N 2.98Å; A885-F889 WeakPolarHBondContact O-CB 3.2Å; A885-F889 PolarHBondContact O-N 3.42Å |
| 886 | V | 72.7 | Confident | 67.9 | Low | 63 Ų | 63 | 91.3 Ų | 91.3 | 38% | 0.382 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.4 | -35.4 | 175.5 | 170.1 | 0 | 0 | 0 | 0 | 111.7 | T882 L884 F889 R890 | T882-V886 WeakPolarHBondContact O-CB 3.44Å; T882-V886 WeakPolarHBondContact O-CG2 3.41Å; T882-V886 PolarHBondContact O-N 3.31Å; L884-V886 PolarHBondContact O-N 2.9Å; V886-F889 PolarHBondContact O-N 3.48Å; V886-R890 PolarHBondContact O-N 2.9Å |
| 887 | T | 73.6 | Confident | 66 | Low | 68 Ų | 68 | 97.1 Ų | 97.1 | 42% | 0.417 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.9 | -45.9 | 177.4 | -58.3 | 0 | 0 | 0 | 0 | 111.4 | E883 L884 A885 F889 R890 Q891 | E883-T887 WeakPolarHBondContact O-CB 3.3Å; E883-T887 PolarHBondContact O-N 3.13Å; E883-T887 PolarHBondContact O-OG1 3.16Å; L884-T887 PolarHBondContact O-N 3.17Å; A885-T887 VanDerWaalsContact C-N 3.32Å; A885-T887 PolarHBondContact O-N 3.42Å; T887-F889 VanDerWaalsContact C-N 3.31Å; T887-F889 PolarHBondContact O-N 3.36Å; T887-R890 PolarHBondContact O-N 3.04Å; T887-Q891 PolarHBondContact O-N 3.41Å |
| 888 | I | 72.4 | Confident | 63.9 | Low | 98 Ų | 98 | 100.4 Ų | 100.4 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.7 | -40.9 | 174.1 | -67.7 | 168 | 0 | 0 | 0 | 110.8 | L884 A885 R890 Q891 S892 | L884-I888 HydrophobicContact CD1-CD1 4.01Å; L884-I888 HydrophobicContact CD1-CG1 4.31Å; L884-I888 HydrophobicContact CG-CD1 3.92Å; L884-I888 WeakPolarHBondContact O-CG1 3.3Å; L884-I888 PolarHBondContact O-N 3.27Å; A885-I888 PolarHBondContact O-N 2.98Å; I888-R890 PolarHBondContact O-N 2.87Å; I888-Q891 PolarHBondContact O-N 3.19Å; I888-Q891 VanDerWaalsContact O-N 3.14Å; I888-S892 PolarHBondContact O-N 3.41Å |
| 889 | F | 69.7 | Low | 61.6 | Low | 127 Ų | 127 | 103 Ų | 103 | 56% | 0.557 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.8 | -38.4 | 176 | -174.8 | -97 | 0 | 0 | 0 | 112.9 | A885 V886 T887 Q891 S892 Q893 | A885-F889 WeakPolarHBondContact O-CB 3.2Å; A885-F889 PolarHBondContact O-N 3.42Å; V886-F889 PolarHBondContact O-N 3.48Å; T887-F889 VanDerWaalsContact C-N 3.31Å; T887-F889 PolarHBondContact O-N 3.36Å; F889-Q891 VanDerWaalsContact C-N 3.34Å; F889-S892 PolarHBondContact O-OG 3.45Å; F889-S892 VanDerWaalsContact O-OG 3.06Å; F889-Q893 HydrophobicContact CD1-CG 4.33Å; F889-Q893 HydrophobicContact CE1-CG 4.13Å; F889-Q893 WeakPolarHBondContact O-CG 3.42Å; F889-Q893 PolarHBondContact O-N 2.89Å; F889-Q893 VanDerWaalsContact O-N 3.12Å |
| 890 | R | 67.2 | Low | 59.6 | Low | 165 Ų | 165 | 110.3 Ų | 110.3 | 62% | 0.623 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.4 | -35.6 | 170.8 | -80.1 | -170.8 | 172.9 | -129.8 | -0.1 | 112.6 | V886 T887 I888 Q893 N894 | V886-R890 PolarHBondContact O-N 2.9Å; T887-R890 PolarHBondContact O-N 3.04Å; I888-R890 PolarHBondContact O-N 2.87Å; R890-Q893 PolarHBondContact O-N 3.49Å; R890-N894 PolarHBondContact O-N 3.09Å |
| 891 | Q | 63.5 | Low | 57.8 | Low | 122 Ų | 122 | 108.6 Ų | 108.6 | 57% | 0.57 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -71.3 | -36.6 | 179.4 | -162.9 | 166.1 | 4.1 | 0 | 0 | 112 | T887 I888 F889 N895 | T887-Q891 PolarHBondContact O-N 3.41Å; I888-Q891 PolarHBondContact O-N 3.19Å; I888-Q891 VanDerWaalsContact O-N 3.14Å; F889-Q891 VanDerWaalsContact C-N 3.34Å; Q891-N895 VanDerWaalsContact O-CG 3.27Å; Q891-N895 PolarHBondContact O-N 2.98Å; Q891-N895 VanDerWaalsContact O-N 3.15Å; Q891-N895 PolarHBondContact O-ND2 3.31Å |
| 892 | S | 54.8 | Low | 55.5 | Low | 57 Ų | 57 | 114.6 Ų | 114.6 | 40% | 0.399 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -70.4 | -33.8 | 173.5 | 68.8 | 0 | 0 | 0 | 0 | 113.1 | I888 F889 | I888-S892 PolarHBondContact O-N 3.41Å; F889-S892 PolarHBondContact O-OG 3.45Å; F889-S892 VanDerWaalsContact O-OG 3.06Å |
| 893 | Q | 50.1 | Low | 53.1 | Low | 108 Ų | 108 | 116.2 Ų | 116.2 | 51% | 0.505 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -60.9 | -51.8 | 170.2 | -71.4 | -90.5 | -9.6 | 0 | 0 | 111.5 | F889 R890 N895 Q896 | F889-Q893 HydrophobicContact CD1-CG 4.33Å; F889-Q893 HydrophobicContact CE1-CG 4.13Å; F889-Q893 WeakPolarHBondContact O-CG 3.42Å; F889-Q893 PolarHBondContact O-N 2.89Å; F889-Q893 VanDerWaalsContact O-N 3.12Å; R890-Q893 PolarHBondContact O-N 3.49Å; Q893-N895 VanDerWaalsContact C-N 3.26Å; Q893-N895 PolarHBondContact O-N 2.9Å; Q893-Q896 PolarHBondContact O-N 3.38Å; Q893-Q896 VanDerWaalsContact O-N 3.11Å |
| 894 | N | 47.7 | Very low | 50.9 | Low | 123 Ų | 123 | 120.8 Ų | 120.8 | 66% | 0.658 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -60.2 | -34.8 | 179.6 | -78.3 | -7.9 | 0 | 0 | 0 | 112.8 | R890 Q896 M897 | R890-N894 PolarHBondContact O-N 3.09Å; N894-Q896 PolarHBondContact O-N 2.93Å; N894-M897 PolarHBondContact O-N 3.19Å |
| 895 | N | 44.5 | Very low | 48.8 | Very low | 122 Ų | 122 | 123.6 Ų | 123.6 | 65% | 0.652 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -10.6 | 178.6 | -75.2 | -10.7 | 0 | 0 | 0 | 114.4 | Q891 Q893 | Q891-N895 VanDerWaalsContact O-CG 3.27Å; Q891-N895 PolarHBondContact O-N 2.98Å; Q891-N895 VanDerWaalsContact O-N 3.15Å; Q891-N895 PolarHBondContact O-ND2 3.31Å; Q893-N895 VanDerWaalsContact C-N 3.26Å; Q893-N895 PolarHBondContact O-N 2.9Å |
| 896 | Q | 42.1 | Very low | 46.6 | Very low | 155 Ų | 155 | 125.8 Ų | 125.8 | 72% | 0.724 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -10.7 | 175.3 | -62.4 | -165.5 | 20 | 0 | 0 | 114.1 | Q893 N894 | Q893-Q896 PolarHBondContact O-N 3.38Å; Q893-Q896 VanDerWaalsContact O-N 3.11Å; N894-Q896 PolarHBondContact O-N 2.93Å |
| 897 | M | 37.2 | Very low | 44.6 | Very low | 162 Ų | 162 | 127.7 Ų | 127.7 | 80% | 0.798 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -90.9 | 1.3 | -175.5 | -79 | -93.5 | 62.4 | 0 | 0 | 115.4 | N894 | N894-M897 PolarHBondContact O-N 3.19Š|
| 898 | L | 34.8 | Very low | 42.5 | Very low | 162 Ų | 162 | 130.3 Ų | 130.3 | 85% | 0.848 | 68% | 0.683 | S | S | * | * | trans | -129.2 | 77.1 | -178.6 | -151 | 75.8 | 0 | 0 | 0 | 113.2 | ||||
| 899 | K | 34 | Very low | 40.5 | Very low | 182 Ų | 182 | 132 Ų | 132 | 79% | 0.791 | 70% | 0.698 | S | S | * | * | trans | -82.3 | 110.8 | 165.9 | -73.9 | -177.7 | 178 | 177.6 | 0 | 110.2 | ||||
| 900 | H | 33.1 | Very low | 38.5 | Very low | 179 Ų | 179 | 131.4 Ų | 131.4 | 83% | 0.829 | 71% | 0.71 | S | S | * | * | 172.2 | 157 | 127.6 | -87.9 | -61.1 | 0 | 0 | 0 | 109.8 | |||||
| 901 | P | 37.2 | Very low | 36.7 | Very low | 97 Ų | 97 | 128.7 Ų | 128.7 | 63% | 0.63 | 72% | 0.717 | S | S | * | * | trans | -117.7 | -179 | -147.1 | 32.8 | -16.2 | 0 | 0 | 0 | 116 | ||||
| 902 | F | 27.8 | Very low | 35.1 | Very low | 189 Ų | 189 | 127.8 Ų | 127.8 | 83% | 0.829 | 72% | 0.724 | S | S | * | * | trans | 90.6 | 101.4 | 164.3 | -67 | -66.3 | 0 | 0 | 0 | 119.8 | ||||
| 903 | S | 28.1 | Very low | 34 | Very low | 88 Ų | 88 | 130 Ų | 130 | 62% | 0.615 | 74% | 0.739 | S | S | * | * | 115.8 | 120.9 | 110.5 | -70.9 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 904 | T | 29 | Very low | 32.9 | Very low | 122 Ų | 122 | 133.9 Ų | 133.9 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | trans | 76.9 | 135.1 | 133.3 | 50.9 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 905 | I | 29.6 | Very low | 32 | Very low | 147 Ų | 147 | 137.1 Ų | 137.1 | 75% | 0.754 | 77% | 0.765 | S | S | * | * | trans | 88.8 | 96.6 | 139.6 | -71.8 | 162.3 | 0 | 0 | 0 | 119.1 | ||||
| 906 | S | 29.3 | Very low | 31.3 | Very low | 105 Ų | 105 | 134.8 Ų | 134.8 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | 78.8 | 134.2 | 124.4 | -57 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 907 | S | 30.4 | Very low | 30.6 | Very low | 104 Ų | 104 | 136.1 Ų | 136.1 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | -38.2 | 152.5 | 156.1 | 52.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 908 | S | 30.5 | Very low | 30.2 | Very low | 122 Ų | 122 | 133.3 Ų | 133.3 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | -166.3 | 153.5 | 116.6 | -78.7 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 909 | T | 29.6 | Very low | 30 | Very low | 134 Ų | 134 | 134.4 Ų | 134.4 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | -99.8 | 151 | 172.3 | 45.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 910 | S | 28.5 | Very low | 30.1 | Very low | 115 Ų | 115 | 131.5 Ų | 131.5 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -175.1 | 114.1 | 153.6 | -85.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 911 | S | 28.6 | Very low | 30.1 | Very low | 108 Ų | 108 | 127.8 Ų | 127.8 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | 50 | 105.8 | 121.2 | -46.9 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 912 | S | 30.6 | Very low | 29.9 | Very low | 103 Ų | 103 | 131.5 Ų | 131.5 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | 55.3 | 111.7 | 120.9 | 68.4 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 913 | S | 31.8 | Very low | 29.9 | Very low | 102 Ų | 102 | 129.2 Ų | 129.2 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | 64.9 | 121.2 | 125.8 | 65.1 | 0 | 0 | 0 | 0 | 125 | |||||
| 914 | F | 27.6 | Very low | 30 | Very low | 191 Ų | 191 | 135.1 Ų | 135.1 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | trans | 55.6 | 108.6 | 137.5 | -81 | -82.6 | 0 | 0 | 0 | 122.6 | ||||
| 915 | H | 28.9 | Very low | 30.2 | Very low | 191 Ų | 191 | 136.2 Ų | 136.2 | 88% | 0.884 | 77% | 0.774 | S | S | * | * | -176.7 | 161.9 | 110.8 | -106.1 | 79.2 | 0 | 0 | 0 | 113.5 | |||||
| 916 | G | 27.8 | Very low | 30.2 | Very low | 73 Ų | 73 | 137.7 Ų | 137.7 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | trans | 127 | 120.8 | 159.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 917 | H | 27.7 | Very low | 30.5 | Very low | 182 Ų | 182 | 138.5 Ų | 138.5 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | trans | -114.7 | 154.9 | -178.9 | -77.1 | -91.5 | 0 | 0 | 0 | 114 | ||||
| 918 | S | 28.6 | Very low | 30.2 | Very low | 103 Ų | 103 | 139.5 Ų | 139.5 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | trans | 73 | 160.1 | 152 | 79.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 919 | K | 31.3 | Very low | 30.2 | Very low | 185 Ų | 185 | 141.9 Ų | 141.9 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | cis | -147.8 | -178.5 | 15.1 | -56.8 | 171.2 | -178.6 | 170.3 | 0 | 109.2 | ||||
| 920 | P | 35.3 | Very low | 30.2 | Very low | 122 Ų | 122 | 142.4 Ų | 142.4 | 79% | 0.792 | 76% | 0.762 | S | S | * | * | cis | -104.1 | -157.9 | -29.2 | 33.4 | -15.5 | 0 | 0 | 0 | 108.3 | ||||
| 921 | S | 34.8 | Very low | 30.2 | Very low | 101 Ų | 101 | 147.2 Ų | 147.2 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | cis | -145.5 | 166.8 | -1.1 | -30.9 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 922 | Q | 32.9 | Very low | 30 | Very low | 175 Ų | 175 | 148.9 Ų | 148.9 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | cis | 69.7 | 127.2 | 21.8 | -70.3 | -149.9 | 15.1 | 0 | 0 | 117.7 | ||||
| 923 | L | 27.3 | Very low | 30 | Very low | 140 Ų | 140 | 150.7 Ų | 150.7 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | cis | -167.9 | 117.1 | -14.3 | -160 | 170 | 0 | 0 | 0 | 109.4 | ||||
| 924 | R | 30.4 | Very low | 30.2 | Very low | 212 Ų | 212 | 150.4 Ų | 150.4 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | trans | -174 | 148.5 | 149.8 | -112 | 171.1 | -174.2 | -146.2 | 2.5 | 115.7 | ||||
| 925 | H | 33.4 | Very low | 30 | Very low | 146 Ų | 146 | 148.5 Ų | 148.5 | 68% | 0.676 | 75% | 0.754 | S | S | * | * | trans | 54.6 | 92.5 | 158.6 | -56.7 | -54.6 | 0 | 0 | 0 | 120.5 | ||||
| 926 | Q | 28.3 | Very low | 29.8 | Very low | 177 Ų | 177 | 148 Ų | 148 | 83% | 0.827 | 75% | 0.752 | S | S | * | * | -59 | 151.2 | 121.3 | -72.9 | -171 | 16.5 | 0 | 0 | 109 | |||||
| 927 | P | 35.8 | Very low | 29.9 | Very low | 122 Ų | 122 | 151.2 Ų | 151.2 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | cis | -143.9 | -172.8 | 47.5 | 42.6 | -22.9 | 0 | 0 | 0 | 117.6 | ||||
| 928 | L | 25.7 | Very low | 29.9 | Very low | 125 Ų | 125 | 147.8 Ų | 147.8 | 65% | 0.654 | 75% | 0.747 | S | S | * | * | trans | -43.8 | 135.1 | 178.5 | -92.6 | 54.5 | 0 | 0 | 0 | 117.5 | ||||
| 929 | K | 30 | Very low | 30 | Very low | 173 Ų | 173 | 148.2 Ų | 148.2 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | 77.9 | 132.4 | 129 | -69.6 | 171.4 | -176 | 170.7 | 0 | 120.9 | |||||
| 930 | K | 29.3 | Very low | 29.8 | Very low | 144 Ų | 144 | 144.8 Ų | 144.8 | 63% | 0.626 | 74% | 0.74 | S | S | * | * | trans | 77.2 | 111.3 | 147.3 | -75.3 | -173.3 | 175.9 | -161.9 | 0 | 119.8 | ||||
| 931 | Y | 28.3 | Very low | 29.5 | Very low | 217 Ų | 217 | 145 Ų | 145 | 85% | 0.851 | 74% | 0.739 | S | S | * | * | -68.2 | 124.1 | 103.6 | -97.2 | -96.6 | 0 | 0 | 0 | 106.9 | |||||
| 932 | E | 25.1 | Very low | 29 | Very low | 142 Ų | 142 | 145.5 Ų | 145.5 | 66% | 0.664 | 74% | 0.743 | S | S | * | * | 61.1 | 101.9 | 60.8 | -57.2 | -163.4 | 145.2 | 0 | 0 | 109.2 | |||||
| 933 | N | 30.6 | Very low | 29.4 | Very low | 141 Ų | 141 | 141.9 Ų | 141.9 | 75% | 0.754 | 73% | 0.734 | S | S | * | * | cis | -107.4 | 167.9 | 44.6 | -87 | -63.3 | 0 | 0 | 0 | 118.9 | ||||
| 934 | S | 35.8 | Very low | 29.3 | Very low | 97 Ų | 97 | 145.3 Ų | 145.3 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | trans | -5.9 | 128.4 | 149 | -43 | 0 | 0 | 0 | 0 | 116 | ||||
| 935 | Q | 22.5 | Very low | 29.1 | Very low | 151 Ų | 151 | 142.8 Ų | 142.8 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | cis | 63 | 143.5 | 39 | -46.9 | -170.1 | 24.3 | 0 | 0 | 114.1 | ||||
| 936 | Q | 25 | Very low | 28.7 | Very low | 179 Ų | 179 | 142.1 Ų | 142.1 | 84% | 0.836 | 74% | 0.737 | S | S | * | * | trans | 65.4 | 132.3 | 176.6 | -73.2 | 178.3 | -11.5 | 0 | 0 | 113.9 | ||||
| 937 | I | 28.9 | Very low | 28.5 | Very low | 142 Ų | 142 | 143.4 Ų | 143.4 | 73% | 0.728 | 74% | 0.735 | S | S | * | * | cis | -146.8 | 133.4 | 10 | -97.1 | 140.4 | 0 | 0 | 0 | 108.9 | ||||
| 938 | S | 29.1 | Very low | 28.2 | Very low | 109 Ų | 109 | 142.1 Ų | 142.1 | 76% | 0.762 | 73% | 0.729 | S | S | * | * | trans | 62.9 | 167.2 | 155.8 | -68.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 939 | V | 29.3 | Very low | 28.3 | Very low | 113 Ų | 113 | 141.7 Ų | 141.7 | 69% | 0.685 | 74% | 0.737 | S | S | * | * | cis | -159.9 | 145.6 | -20.8 | 125.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 940 | T | 28.3 | Very low | 28.3 | Very low | 113 Ų | 113 | 142.1 Ų | 142.1 | 69% | 0.693 | 75% | 0.745 | S | S | * | * | trans | 53.7 | 131.3 | 159.7 | 57.3 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 941 | T | 29.5 | Very low | 28.3 | Very low | 125 Ų | 125 | 138.7 Ų | 138.7 | 77% | 0.767 | 75% | 0.751 | S | S | * | * | trans | 63.4 | 119 | 131.6 | 61.8 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 942 | S | 24.4 | Very low | 28.4 | Very low | 113 Ų | 113 | 133.7 Ų | 133.7 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | 72.4 | 179.9 | 128.3 | -131.3 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 943 | P | 40.3 | Very low | 28.7 | Very low | 98 Ų | 98 | 131.6 Ų | 131.6 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | -128.9 | -175.1 | -102.7 | 38.8 | -19.8 | 0 | 0 | 0 | 116.5 | |||||
| 944 | Y | 26.2 | Very low | 28.8 | Very low | 213 Ų | 213 | 132.8 Ų | 132.8 | 84% | 0.835 | 75% | 0.749 | S | S | * | * | trans | 96.4 | 125 | 169.8 | -72.1 | -83.2 | 0 | 0 | 0 | 120.4 | ||||
| 945 | Q | 26 | Very low | 28.5 | Very low | 159 Ų | 159 | 135.8 Ų | 135.8 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | trans | 46.2 | 132.8 | 144.9 | -77 | -168.8 | 2.5 | 0 | 0 | 125.3 | ||||
| 946 | L | 24.4 | Very low | 28.8 | Very low | 132 Ų | 132 | 136.3 Ų | 136.3 | 69% | 0.691 | 76% | 0.755 | S | S | * | * | trans | 62.6 | 114.9 | 133.7 | -65.1 | 174.8 | 0 | 0 | 0 | 122.7 | ||||
| 947 | Y | 25.1 | Very low | 29.1 | Very low | 204 Ų | 204 | 134.1 Ų | 134.1 | 80% | 0.8 | 75% | 0.749 | S | S | * | * | trans | 66.3 | 111.2 | 130 | -90 | -120.9 | 0 | 0 | 0 | 122.1 | ||||
| 948 | S | 27.4 | Very low | 29.2 | Very low | 95 Ų | 95 | 134 Ų | 134 | 66% | 0.664 | 75% | 0.749 | S | S | * | * | 92.6 | 151.5 | 120.1 | -67.2 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 949 | S | 28.6 | Very low | 29 | Very low | 116 Ų | 116 | 135.3 Ų | 135.3 | 81% | 0.811 | 75% | 0.747 | S | S | * | * | trans | 84.1 | 136.2 | 146.9 | -65 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 950 | I | 29.9 | Very low | 29 | Very low | 182 Ų | 182 | 136 Ų | 136 | 93% | 0.933 | 75% | 0.747 | S | S | * | * | trans | -178.9 | 136.7 | 144.3 | -91.9 | 151.4 | 0 | 0 | 0 | 105.5 | ||||
| 951 | G | 29.2 | Very low | 28.9 | Very low | 71 Ų | 71 | 136.5 Ų | 136.5 | 73% | 0.732 | 75% | 0.745 | S | S | * | * | cis | -136.7 | -160.9 | -11.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 952 | S | 31 | Very low | 28.8 | Very low | 112 Ų | 112 | 136.9 Ų | 136.9 | 78% | 0.783 | 74% | 0.741 | S | S | * | * | cis | -161.6 | 144.9 | 12.3 | 51.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 953 | S | 30.7 | Very low | 29.1 | Very low | 99 Ų | 99 | 137.2 Ų | 137.2 | 69% | 0.692 | 74% | 0.738 | S | S | * | * | trans | 61.7 | 153.4 | 164.2 | -68.1 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 954 | E | 32.3 | Very low | 28.6 | Very low | 165 Ų | 165 | 138.7 Ų | 138.7 | 77% | 0.771 | 74% | 0.741 | S | S | * | * | cis | -147.9 | -178.7 | -5.2 | -132.9 | 134.8 | -115.7 | 0 | 0 | 111.5 | ||||
| 955 | E | 30 | Very low | 28.8 | Very low | 161 Ų | 161 | 133.3 Ų | 133.3 | 75% | 0.752 | 73% | 0.73 | S | S | * | * | trans | -53 | 166.1 | -174.2 | -57.7 | 178.2 | 131.9 | 0 | 0 | 118.5 | ||||
| 956 | H | 29 | Very low | 29.1 | Very low | 162 Ų | 162 | 132 Ų | 132 | 75% | 0.75 | 73% | 0.729 | S | S | * | * | 37.6 | 150.6 | 127.6 | -70.7 | -103.9 | 0 | 0 | 0 | 121.1 | |||||
| 957 | D | 31 | Very low | 29.5 | Very low | 132 Ų | 132 | 131.2 Ų | 131.2 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | cis | -157.6 | -174.8 | 28.9 | -139.8 | -6.5 | 0 | 0 | 0 | 116.2 | ||||
| 958 | L | 30.6 | Very low | 29.9 | Very low | 140 Ų | 140 | 127.2 Ų | 127.2 | 73% | 0.733 | 72% | 0.717 | S | S | * | * | trans | -60.8 | 137.2 | -175.8 | -74.1 | 156.9 | 0 | 0 | 0 | 118.9 | ||||
| 959 | L | 25.8 | Very low | 30 | Very low | 137 Ų | 137 | 128.8 Ų | 128.8 | 72% | 0.717 | 72% | 0.718 | S | S | * | * | 57.1 | 152 | 122.5 | -128.4 | 75.4 | 0 | 0 | 0 | 123.4 | |||||
| 960 | N | 29.3 | Very low | 29.9 | Very low | 128 Ų | 128 | 129 Ų | 129 | 68% | 0.684 | 72% | 0.715 | S | S | * | * | trans | 71.4 | 133.8 | 151.4 | -80.1 | -3.5 | 0 | 0 | 0 | 119.6 | ||||
| 961 | N | 26 | Very low | 29.9 | Very low | 122 Ų | 122 | 126.4 Ų | 126.4 | 65% | 0.652 | 71% | 0.708 | S | S | * | * | cis | 172 | 168.8 | 0.7 | -130.3 | -17.7 | 0 | 0 | 0 | 108 | ||||
| 962 | I | 28 | Very low | 29.8 | Very low | 134 Ų | 134 | 128 Ų | 128 | 69% | 0.687 | 71% | 0.714 | S | S | * | * | trans | 59.9 | 113.8 | 145.6 | -65.5 | 164.6 | 0 | 0 | 0 | 116.7 | ||||
| 963 | T | 31.3 | Very low | 29.8 | Very low | 119 Ų | 119 | 126.3 Ų | 126.3 | 73% | 0.73 | 72% | 0.715 | S | S | * | * | 177.6 | 161.4 | 69.5 | 2.9 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 964 | N | 28.8 | Very low | 29.7 | Very low | 130 Ų | 130 | 129.2 Ų | 129.2 | 70% | 0.695 | 73% | 0.728 | S | S | * | * | cis | -163.6 | 161.8 | -8.9 | -142 | 10 | 0 | 0 | 0 | 111 | ||||
| 965 | T | 30.1 | Very low | 29.7 | Very low | 99 Ų | 99 | 124.8 Ų | 124.8 | 61% | 0.607 | 73% | 0.726 | S | S | * | * | trans | 35.8 | 121.6 | 147.8 | 54.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 966 | N | 32.6 | Very low | 29.7 | Very low | 133 Ų | 133 | 125 Ų | 125 | 71% | 0.711 | 73% | 0.728 | S | S | * | * | cis | 178.1 | 179.2 | 49.4 | -104 | -2.8 | 0 | 0 | 0 | 109.2 | ||||
| 967 | N | 32.8 | Very low | 29.6 | Very low | 115 Ų | 115 | 124.3 Ų | 124.3 | 62% | 0.615 | 73% | 0.725 | S | S | * | * | cis | -158.1 | 150.9 | 3.5 | -129.1 | -5.3 | 0 | 0 | 0 | 113.3 | ||||
| 968 | N | 32.6 | Very low | 29.5 | Very low | 119 Ų | 119 | 125.2 Ų | 125.2 | 64% | 0.636 | 73% | 0.725 | S | S | * | * | trans | 35.6 | 114.4 | 138.5 | -62.7 | -4.5 | 0 | 0 | 0 | 124.9 | ||||
| 969 | N | 29.5 | Very low | 29.3 | Very low | 128 Ų | 128 | 125.8 Ų | 125.8 | 68% | 0.684 | 72% | 0.723 | S | S | * | * | 93 | 118.1 | 113.4 | -66 | 1.7 | 0 | 0 | 0 | 124.7 | |||||
| 970 | T | 27.8 | Very low | 29.5 | Very low | 121 Ų | 121 | 127.2 Ų | 127.2 | 74% | 0.742 | 73% | 0.726 | S | S | * | * | 76.9 | 125.1 | 129.7 | 52.9 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 971 | T | 29.1 | Very low | 29.3 | Very low | 128 Ų | 128 | 130.2 Ų | 130.2 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | trans | 85.2 | 113 | 130 | -62 | 0 | 0 | 0 | 0 | 121 | ||||
| 972 | A | 27.7 | Very low | 29.3 | Very low | 104 Ų | 104 | 131.2 Ų | 131.2 | 86% | 0.86 | 74% | 0.74 | S | S | * | * | trans | 49.4 | 137.2 | 144 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 973 | G | 31.4 | Very low | 29.4 | Very low | 77 Ų | 77 | 133.4 Ų | 133.4 | 79% | 0.794 | 75% | 0.745 | S | S | * | * | trans | 168 | 114.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 974 | V | 28.4 | Very low | 29.4 | Very low | 160 Ų | 160 | 133.1 Ų | 133.1 | 97% | 0.97 | 75% | 0.748 | S | S | * | * | trans | -71.5 | 127.6 | 169.3 | 175.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 975 | G | 32.8 | Very low | 29.4 | Very low | 72 Ų | 72 | 134.6 Ų | 134.6 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | trans | -160 | 127.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 976 | Q | 29.2 | Very low | 29.5 | Very low | 166 Ų | 166 | 136.8 Ų | 136.8 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | trans | -80.1 | 164 | -168.3 | -63.4 | -174.8 | -9.6 | 0 | 0 | 115 | ||||
| 977 | Q | 27.7 | Very low | 29.7 | Very low | 147 Ų | 147 | 138.6 Ų | 138.6 | 69% | 0.687 | 76% | 0.764 | S | S | * | * | trans | 85.8 | 133.9 | 144.4 | -84.2 | 175.4 | 63 | 0 | 0 | 121.1 | ||||
| 978 | Q | 27.3 | Very low | 30.1 | Very low | 151 Ų | 151 | 140.8 Ų | 140.8 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | trans | 65.5 | 97.4 | 146.9 | -67.9 | -170 | 25.7 | 0 | 0 | 119.8 | ||||
| 979 | Q | 27.5 | Very low | 31.1 | Very low | 152 Ų | 152 | 139 Ų | 139 | 71% | 0.71 | 76% | 0.759 | S | S | * | * | 129.7 | 131.8 | 95.7 | -170 | 158.8 | 81.2 | 0 | 0 | 115 | |||||
| 980 | Q | 28.8 | Very low | 32.4 | Very low | 166 Ų | 166 | 135.7 Ų | 135.7 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | trans | 58.1 | 88.8 | 170 | -67 | 171 | 40.7 | 0 | 0 | 117.9 | ||||
| 981 | Q | 25.7 | Very low | 33.9 | Very low | 191 Ų | 191 | 136.3 Ų | 136.3 | 89% | 0.893 | 74% | 0.735 | S | S | * | * | -178 | 173.5 | 117.8 | -99.8 | 176.1 | 33.4 | 0 | 0 | 112 | |||||
| 982 | I | 27 | Very low | 35.5 | Very low | 144 Ų | 144 | 135 Ų | 135 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | trans | 67.1 | 101 | 172.8 | -44.9 | -179.2 | 0 | 0 | 0 | 116.2 | ||||
| 983 | F | 29.5 | Very low | 37 | Very low | 179 Ų | 179 | 130.8 Ų | 130.8 | 79% | 0.785 | 69% | 0.686 | S | S | * | * | -142.4 | 102.1 | 122.4 | -121.3 | -70.7 | 0 | 0 | 0 | 110.3 | M985 | F983-M985 HydrophobicContact CD1-CE 4.3Å; F983-M985 HydrophobicContact CD1-CG 4.03Å; F983-M985 HydrophobicContact CE1-CE 4.08Å; F983-M985 PolarHBondContact O-N 3.04Å | |||
| 984 | S | 30.1 | Very low | 38.7 | Very low | 113 Ų | 113 | 132 Ų | 132 | 79% | 0.79 | 67% | 0.67 | S | S | * | * | trans | -75.8 | 101.7 | 165.4 | -63.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 985 | M | 29.5 | Very low | 40.7 | Very low | 161 Ų | 161 | 126.4 Ų | 126.4 | 79% | 0.793 | 64% | 0.638 | S | S | * | * | trans | -108 | 136.9 | 165.8 | -85.1 | -161.8 | 172.7 | 0 | 0 | 111.2 | F983 | F983-M985 HydrophobicContact CD1-CE 4.3Å; F983-M985 HydrophobicContact CD1-CG 4.03Å; F983-M985 HydrophobicContact CE1-CE 4.08Å; F983-M985 PolarHBondContact O-N 3.04Å | ||
| 986 | N | 33.2 | Very low | 42.3 | Very low | 146 Ų | 146 | 126.9 Ų | 126.9 | 78% | 0.781 | 62% | 0.623 | S | S | * | * | trans | -52.9 | 134.3 | -165.5 | -65.7 | -43.4 | 0 | 0 | 0 | 113.7 | F988 | N986-F988 VanDerWaalsContact C-N 3.31Å; N986-F988 PolarHBondContact O-N 2.77Å | ||
| 987 | H | 36.1 | Very low | 44.1 | Very low | 170 Ų | 170 | 121.6 Ų | 121.6 | 79% | 0.787 | 60% | 0.596 | S | S | * | * | trans | -69.4 | 86.2 | 174.6 | -139.9 | -58.7 | 0 | 0 | 0 | 109.5 | N989 | H987-N989 PolarHBondContact O-N 2.81Š| ||
| 988 | F | 41.9 | Very low | 46.3 | Very low | 162 Ų | 162 | 120.3 Ų | 120.3 | 71% | 0.711 | 59% | 0.59 | S | S | * | * | trans | -65 | 83.1 | 168.1 | -100.6 | -85 | 0 | 0 | 0 | 109 | N986 L993 | N986-F988 VanDerWaalsContact C-N 3.31Å; N986-F988 PolarHBondContact O-N 2.77Å; F988-L993 HydrophobicContact CD1-CD1 4.49Å | ||
| 989 | N | 53.4 | Low | 48.3 | Very low | 82 Ų | 82 | 118.8 Ų | 118.8 | 44% | 0.439 | 58% | 0.583 | S | S | . | * | trans | -67.2 | 132.8 | 173.4 | -170.1 | -20.8 | 0 | 0 | 0 | 108.2 | H987 H991 N992 L993 | H987-N989 PolarHBondContact O-N 2.81Å; N989-H991 PolarHBondContact O-N 3.12Å; N989-H991 PolarHBondContact OD1-N 3.39Å; N989-N992 WeakPolarHBondContact O-CB 3.35Å; N989-N992 PolarHBondContact O-N 2.91Å; N989-L993 PolarHBondContact O-N 3.2Å | ||
| 990 | L | 56.7 | Low | 50.2 | Low | 57 Ų | 57 | 113 Ų | 113 | 30% | 0.298 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -54.4 | -28.6 | 175.2 | -172.3 | 67.1 | 0 | 0 | 0 | 111.3 | E883 L993 K994 | E883-L990 HydrophobicContact CG-CD1 4.12Å; L990-L993 PolarHBondContact O-N 2.88Å; L990-K994 HydrophobicContact CG-CD 4.21Å; L990-K994 HydrophobicContact CG-CG 4.46Å; L990-K994 WeakPolarHBondContact O-CB 3.47Å; L990-K994 WeakPolarHBondContact O-CG 3.27Å; L990-K994 PolarHBondContact O-N 3.47Å |
| 991 | H | 59.4 | Low | 52.1 | Low | 134 Ų | 134 | 108.1 Ų | 108.1 | 62% | 0.62 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.8 | -36.4 | 173.3 | -161.2 | -24 | 0 | 0 | 0 | 113.3 | N989 S995 | N989-H991 PolarHBondContact O-N 3.12Å; N989-H991 PolarHBondContact OD1-N 3.39Å; H991-S995 VanDerWaalsContact O-CB 3.26Å; H991-S995 WeakPolarHBondContact O-CB 3.38Å; H991-S995 PolarHBondContact O-N 2.88Å |
| 992 | N | 62.5 | Low | 54.3 | Low | 101 Ų | 101 | 103.9 Ų | 103.9 | 54% | 0.54 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -72.7 | -40 | 176.6 | -68 | 4.7 | 0 | 0 | 0 | 110.7 | N989 S995 L996 | N989-N992 WeakPolarHBondContact O-CB 3.35Å; N989-N992 PolarHBondContact O-N 2.91Å; N992-S995 PolarHBondContact O-N 3.23Å; N992-L996 WeakPolarHBondContact O-CB 3.43Å; N992-L996 PolarHBondContact O-N 3.42Å |
| 993 | L | 59.8 | Low | 56.3 | Low | 15 Ų | 15 | 101.4 Ų | 101.4 | 8% | 0.079 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -67.1 | -37.9 | 177.8 | -151 | 159.6 | 0 | 0 | 0 | 110.9 | L879 E883 F988 N989 L990 L996 R997 | L879-L993 HydrophobicContact CD1-CD2 3.59Å; L879-L993 HydrophobicContact CD1-CG 4.11Å; L879-L993 HydrophobicContact CD2-CD2 4.36Å; L879-L993 HydrophobicContact CG-CD2 3.73Å; E883-L993 HydrophobicContact CB-CD2 4.26Å; F988-L993 HydrophobicContact CD1-CD1 4.49Å; N989-L993 PolarHBondContact O-N 3.2Å; L990-L993 PolarHBondContact O-N 2.88Å; L993-L996 PolarHBondContact O-N 2.8Å; L993-R997 PolarHBondContact O-N 2.79Å |
| 994 | K | 66.8 | Low | 58 | Low | 102 Ų | 102 | 94 Ų | 94 | 44% | 0.443 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -70.6 | -34.4 | 171.1 | -72.8 | -176.3 | 176.2 | -168.9 | 0 | 113.9 | E883 L990 R997 Q998 | E883-K994 WeakPolarHBondContact OE1-CE 3.29Å; E883-K994 IonicContact OE1-NZ 3.61Å; L990-K994 HydrophobicContact CG-CD 4.21Å; L990-K994 HydrophobicContact CG-CG 4.46Å; L990-K994 WeakPolarHBondContact O-CB 3.47Å; L990-K994 WeakPolarHBondContact O-CG 3.27Å; L990-K994 PolarHBondContact O-N 3.47Å; K994-R997 PolarHBondContact O-N 2.8Å; K994-Q998 WeakPolarHBondContact O-CB 3.43Å; K994-Q998 PolarHBondContact O-N 3.29Å |
| 995 | S | 69.3 | Low | 59.6 | Low | 44 Ų | 44 | 96.2 Ų | 96.2 | 31% | 0.308 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.8 | -41.5 | 171.1 | -171.8 | 0 | 0 | 0 | 0 | 111 | H991 N992 Q998 Q999 | H991-S995 VanDerWaalsContact O-CB 3.26Å; H991-S995 WeakPolarHBondContact O-CB 3.38Å; H991-S995 PolarHBondContact O-N 2.88Å; N992-S995 PolarHBondContact O-N 3.23Å; S995-Q998 PolarHBondContact O-N 2.89Å; S995-Q999 WeakPolarHBondContact O-CB 3.42Å; S995-Q999 VanDerWaalsContact O-CG 3.29Å; S995-Q999 WeakPolarHBondContact O-CG 3.41Å; S995-Q999 PolarHBondContact O-N 3.21Å |
| 996 | L | 65.9 | Low | 61.4 | Low | 82 Ų | 82 | 91.3 Ų | 91.3 | 43% | 0.429 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -67.4 | -41.9 | 175.6 | -169.7 | 66.2 | 0 | 0 | 0 | 111.7 | L879 N992 L993 Q998 Q999 V1000 | L879-L996 HydrophobicContact CD1-CD2 4.36Å; N992-L996 WeakPolarHBondContact O-CB 3.43Å; N992-L996 PolarHBondContact O-N 3.42Å; L993-L996 PolarHBondContact O-N 2.8Å; L996-Q998 VanDerWaalsContact C-N 3.34Å; L996-Q998 PolarHBondContact O-N 3.02Å; L996-Q999 PolarHBondContact O-N 3.22Å; L996-V1000 WeakPolarHBondContact O-CG2 3.32Å; L996-V1000 PolarHBondContact O-N 3.24Å |
| 997 | R | 68.5 | Low | 62.9 | Low | 55 Ų | 55 | 87.1 Ų | 87.1 | 21% | 0.208 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -52.4 | -53.3 | 167.8 | 168.1 | 177.9 | -83.5 | -75.6 | -2 | 110.4 | L879 E883 L993 K994 Q999 V1000 E1001 | L879-R997 HydrophobicContact CD2-CB 3.7Å; E883-R997 IonicContact OE2-NE 3.62Å; L993-R997 PolarHBondContact O-N 2.79Å; K994-R997 PolarHBondContact O-N 2.8Å; R997-Q999 VanDerWaalsContact C-N 3.27Å; R997-Q999 PolarHBondContact O-N 3.48Å; R997-V1000 PolarHBondContact O-N 3.5Å; R997-E1001 VanDerWaalsContact CD-OE1 3.25Å; R997-E1001 WeakPolarHBondContact CD-OE1 3.33Å; R997-E1001 VanDerWaalsContact CG-CD 3.45Å; R997-E1001 HydrophobicContact CG-CG 4.22Å; R997-E1001 WeakPolarHBondContact CG-OE1 3.35Å; R997-E1001 IonicContact CZ-OE1 3.58Å; R997-E1001 IonicContact NE-OE1 2.69Å; R997-E1001 IonicContact NH1-OE1 3.56Å; R997-E1001 PolarHBondContact NH1-OE1 2.87Å; R997-E1001 WeakPolarHBondContact O-CB 3.39Å; R997-E1001 WeakPolarHBondContact O-CG 3.43Å; R997-E1001 PolarHBondContact O-N 2.9Å |
| 998 | Q | 73.6 | Confident | 63.9 | Low | 120 Ų | 120 | 83.8 Ų | 83.8 | 56% | 0.561 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -62.6 | -33.5 | -178.4 | -171.5 | 172.3 | 18.6 | 0 | 0 | 112.2 | K994 S995 L996 L1002 | K994-Q998 WeakPolarHBondContact O-CB 3.43Å; K994-Q998 PolarHBondContact O-N 3.29Å; S995-Q998 PolarHBondContact O-N 2.89Å; L996-Q998 VanDerWaalsContact C-N 3.34Å; L996-Q998 PolarHBondContact O-N 3.02Å; Q998-L1002 HydrophobicContact CG-CD1 4.13Å; Q998-L1002 WeakPolarHBondContact O-CB 3.49Å; Q998-L1002 WeakPolarHBondContact O-CD1 3.28Å; Q998-L1002 PolarHBondContact O-N 3.09Å |
| 999 | Q | 70.1 | Confident | 64.5 | Low | 118 Ų | 118 | 79.7 Ų | 79.7 | 55% | 0.551 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -71.2 | -40.1 | 174 | -74.3 | 172.2 | 4.9 | 0 | 0 | 112.9 | S995 L996 R997 L1002 L1003 | S995-Q999 WeakPolarHBondContact O-CB 3.42Å; S995-Q999 VanDerWaalsContact O-CG 3.29Å; S995-Q999 WeakPolarHBondContact O-CG 3.41Å; S995-Q999 PolarHBondContact O-N 3.21Å; L996-Q999 PolarHBondContact O-N 3.22Å; R997-Q999 VanDerWaalsContact C-N 3.27Å; R997-Q999 PolarHBondContact O-N 3.48Å; Q999-L1002 PolarHBondContact O-N 3.26Å; Q999-L1003 WeakPolarHBondContact O-CB 3.36Å; Q999-L1003 PolarHBondContact O-N 2.74Å |
| 1000 | V | 66.8 | Low | 64.6 | Low | 31 Ų | 31 | 83.1 Ų | 83.1 | 19% | 0.188 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -70.8 | -36.9 | 175.2 | 175.7 | 0 | 0 | 0 | 0 | 110.9 | V872 L876 L996 R997 L1003 A1004 | V872-V1000 HydrophobicContact CG1-CG1 4.11Å; L876-V1000 HydrophobicContact CD1-CG1 4.41Å; L876-V1000 HydrophobicContact CD2-CB 4.29Å; L876-V1000 HydrophobicContact CD2-CG1 3.75Å; L876-V1000 HydrophobicContact CG-CG1 3.84Å; L996-V1000 WeakPolarHBondContact O-CG2 3.32Å; L996-V1000 PolarHBondContact O-N 3.24Å; R997-V1000 PolarHBondContact O-N 3.5Å; V1000-L1003 WeakPolarHBondContact O-CB 3.38Å; V1000-L1003 PolarHBondContact O-N 3.11Å; V1000-A1004 WeakPolarHBondContact O-CB 3.43Å; V1000-A1004 PolarHBondContact O-N 3.04Å |
| 1001 | E | 69.4 | Low | 64.2 | Low | 64 Ų | 64 | 88.8 Ų | 88.8 | 30% | 0.299 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.7 | -46.3 | 170.2 | -73.8 | 168 | -178.3 | 0 | 0 | 110.8 | L876 R997 L1003 A1004 Y1005 | L876-E1001 HydrophobicContact CD2-CG 4.39Å; R997-E1001 VanDerWaalsContact CD-OE1 3.25Å; R997-E1001 WeakPolarHBondContact CD-OE1 3.33Å; R997-E1001 VanDerWaalsContact CG-CD 3.45Å; R997-E1001 HydrophobicContact CG-CG 4.22Å; R997-E1001 WeakPolarHBondContact CG-OE1 3.35Å; R997-E1001 IonicContact CZ-OE1 3.58Å; R997-E1001 IonicContact NE-OE1 2.69Å; R997-E1001 IonicContact NH1-OE1 3.56Å; R997-E1001 PolarHBondContact NH1-OE1 2.87Å; R997-E1001 WeakPolarHBondContact O-CB 3.39Å; R997-E1001 WeakPolarHBondContact O-CG 3.43Å; R997-E1001 PolarHBondContact O-N 2.9Å; E1001-L1003 VanDerWaalsContact C-N 3.28Å; E1001-L1003 PolarHBondContact O-N 2.88Å; E1001-A1004 WeakPolarHBondContact O-CB 3.46Å; E1001-A1004 PolarHBondContact O-N 3.26Å; E1001-Y1005 HydrophobicContact CB-CE2 4.46Å; E1001-Y1005 WeakPolarHBondContact O-CB 3.18Å; E1001-Y1005 WeakPolarHBondContact O-CD2 3.39Å; E1001-Y1005 PolarHBondContact O-N 2.9Å |
| 1002 | L | 71.6 | Confident | 63.6 | Low | 101 Ų | 101 | 89.3 Ų | 89.3 | 53% | 0.529 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.6 | -29.7 | 172.7 | -100 | 135.7 | 0 | 0 | 0 | 113.3 | Q998 Q999 T1006 | Q998-L1002 HydrophobicContact CG-CD1 4.13Å; Q998-L1002 WeakPolarHBondContact O-CB 3.49Å; Q998-L1002 WeakPolarHBondContact O-CD1 3.28Å; Q998-L1002 PolarHBondContact O-N 3.09Å; Q999-L1002 PolarHBondContact O-N 3.26Å; L1002-T1006 WeakPolarHBondContact O-CB 3.37Å; L1002-T1006 PolarHBondContact O-N 3.12Å; L1002-T1006 PolarHBondContact O-OG1 3.39Å |
| 1003 | L | 67.3 | Low | 62.8 | Low | 92 Ų | 92 | 89.2 Ų | 89.2 | 48% | 0.482 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -71.2 | -44.1 | 172.9 | -171.8 | 66.9 | 0 | 0 | 0 | 111 | Q999 V1000 E1001 T1006 I1007 | Q999-L1003 WeakPolarHBondContact O-CB 3.36Å; Q999-L1003 PolarHBondContact O-N 2.74Å; V1000-L1003 WeakPolarHBondContact O-CB 3.38Å; V1000-L1003 PolarHBondContact O-N 3.11Å; E1001-L1003 VanDerWaalsContact C-N 3.28Å; E1001-L1003 PolarHBondContact O-N 2.88Å; L1003-T1006 WeakPolarHBondContact CA-OG1 3.44Å; L1003-T1006 CarbonylContact O-C 3.52Å; L1003-T1006 PolarHBondContact O-N 2.92Å; L1003-T1006 VanDerWaalsContact O-N 3.16Å; L1003-T1006 PolarHBondContact O-OG1 2.98Å; L1003-I1007 HydrophobicContact CG-CD1 4.21Å; L1003-I1007 VanDerWaalsContact O-CG1 3.3Å; L1003-I1007 WeakPolarHBondContact O-CG1 3.38Å; L1003-I1007 PolarHBondContact O-N 3.2Å |
| 1004 | A | 66.5 | Low | 62 | Low | 24 Ų | 24 | 91.9 Ų | 91.9 | 20% | 0.198 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -59.3 | -46.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111 | V872 V1000 E1001 T1006 I1007 L1008 | V872-A1004 HydrophobicContact CG1-CB 4.03Å; V1000-A1004 WeakPolarHBondContact O-CB 3.43Å; V1000-A1004 PolarHBondContact O-N 3.04Å; E1001-A1004 WeakPolarHBondContact O-CB 3.46Å; E1001-A1004 PolarHBondContact O-N 3.26Å; A1004-T1006 VanDerWaalsContact C-N 3.33Å; A1004-T1006 PolarHBondContact O-N 3.22Å; A1004-I1007 PolarHBondContact O-N 3.22Å; A1004-I1007 VanDerWaalsContact O-N 3.16Å; A1004-L1008 WeakPolarHBondContact O-CG 3.45Å; A1004-L1008 PolarHBondContact O-N 3.44Å |
| 1005 | Y | 63.7 | Low | 60.4 | Low | 160 Ų | 160 | 93.4 Ų | 93.4 | 63% | 0.627 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -62.2 | -34.5 | 173.6 | -74.6 | -60.5 | 0 | 0 | 0 | 112.7 | E1001 L1008 D1009 | E1001-Y1005 HydrophobicContact CB-CE2 4.46Å; E1001-Y1005 WeakPolarHBondContact O-CB 3.18Å; E1001-Y1005 WeakPolarHBondContact O-CD2 3.39Å; E1001-Y1005 PolarHBondContact O-N 2.9Å; Y1005-L1008 HydrophobicContact CD1-CD1 4.45Å; Y1005-L1008 PolarHBondContact O-N 2.83Å; Y1005-D1009 WeakPolarHBondContact O-CB 3.47Å; Y1005-D1009 PolarHBondContact O-N 3.21Å |
| 1006 | T | 67.7 | Low | 58.7 | Low | 57 Ų | 57 | 94.7 Ų | 94.7 | 35% | 0.35 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -83.7 | -7.6 | 174.8 | 45.5 | 0 | 0 | 0 | 0 | 114.9 | L1002 L1003 A1004 K1010 | L1002-T1006 WeakPolarHBondContact O-CB 3.37Å; L1002-T1006 PolarHBondContact O-N 3.12Å; L1002-T1006 PolarHBondContact O-OG1 3.39Å; L1003-T1006 WeakPolarHBondContact CA-OG1 3.44Å; L1003-T1006 CarbonylContact O-C 3.52Å; L1003-T1006 PolarHBondContact O-N 2.92Å; L1003-T1006 VanDerWaalsContact O-N 3.16Å; L1003-T1006 PolarHBondContact O-OG1 2.98Å; A1004-T1006 VanDerWaalsContact C-N 3.33Å; A1004-T1006 PolarHBondContact O-N 3.22Å; T1006-K1010 WeakPolarHBondContact O-CB 3.17Å; T1006-K1010 WeakPolarHBondContact O-CD 3.33Å; T1006-K1010 VanDerWaalsContact O-CG 3.23Å; T1006-K1010 WeakPolarHBondContact O-CG 3.3Å; T1006-K1010 PolarHBondContact O-N 3.1Å |
| 1007 | I | 63.6 | Low | 57.1 | Low | 58 Ų | 58 | 93.5 Ų | 93.5 | 30% | 0.297 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -83.1 | -41.3 | 164.2 | -69.3 | 163.6 | 0 | 0 | 0 | 109.4 | V872 L1003 A1004 K1010 Y1011 | V872-I1007 HydrophobicContact CG2-CD1 4.33Å; L1003-I1007 HydrophobicContact CG-CD1 4.21Å; L1003-I1007 VanDerWaalsContact O-CG1 3.3Å; L1003-I1007 WeakPolarHBondContact O-CG1 3.38Å; L1003-I1007 PolarHBondContact O-N 3.2Å; A1004-I1007 PolarHBondContact O-N 3.22Å; A1004-I1007 VanDerWaalsContact O-N 3.16Å; I1007-K1010 PolarHBondContact O-N 2.77Å; I1007-Y1011 PolarHBondContact O-N 3.17Å |
| 1008 | L | 57.9 | Low | 55.1 | Low | 101 Ų | 101 | 100.6 Ų | 100.6 | 53% | 0.529 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.4 | -45.2 | 172.4 | -70.4 | 164.1 | 0 | 0 | 0 | 112.5 | A1004 Y1005 K1010 Y1011 E1012 | A1004-L1008 WeakPolarHBondContact O-CG 3.45Å; A1004-L1008 PolarHBondContact O-N 3.44Å; Y1005-L1008 HydrophobicContact CD1-CD1 4.45Å; Y1005-L1008 PolarHBondContact O-N 2.83Å; L1008-K1010 PolarHBondContact O-N 2.78Å; L1008-Y1011 VanDerWaalsContact O-CA 3.31Å; L1008-Y1011 WeakPolarHBondContact O-CA 3.37Å; L1008-Y1011 WeakPolarHBondContact O-CB 3.38Å; L1008-Y1011 PolarHBondContact O-N 2.8Å; L1008-E1012 PolarHBondContact O-N 2.82Å |
| 1009 | D | 55.2 | Low | 52.8 | Low | 76 Ų | 76 | 103.8 Ų | 103.8 | 41% | 0.406 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.4 | -20 | 175.8 | -174.8 | 46.9 | 0 | 0 | 0 | 111.5 | Y1005 T1013 | Y1005-D1009 WeakPolarHBondContact O-CB 3.47Å; Y1005-D1009 PolarHBondContact O-N 3.21Å; D1009-T1013 VanDerWaalsContact O-CB 3.24Å; D1009-T1013 WeakPolarHBondContact O-CB 3.4Å; D1009-T1013 VanDerWaalsContact O-CG2 3.31Å; D1009-T1013 WeakPolarHBondContact O-CG2 3.46Å; D1009-T1013 PolarHBondContact O-N 2.85Å; D1009-T1013 PolarHBondContact O-OG1 2.73Å; D1009-T1013 WeakPolarHBondContact OD1-CG2 3.31Å |
| 1010 | K | 54 | Low | 50.9 | Low | 154 Ų | 154 | 106.8 Ų | 106.8 | 67% | 0.67 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -80 | -14.6 | 167.2 | -83 | 175.4 | -175.9 | 171.4 | 0 | 114.1 | T1006 I1007 L1008 S1014 | T1006-K1010 WeakPolarHBondContact O-CB 3.17Å; T1006-K1010 WeakPolarHBondContact O-CD 3.33Å; T1006-K1010 VanDerWaalsContact O-CG 3.23Å; T1006-K1010 WeakPolarHBondContact O-CG 3.3Å; T1006-K1010 PolarHBondContact O-N 3.1Å; I1007-K1010 PolarHBondContact O-N 2.77Å; L1008-K1010 PolarHBondContact O-N 2.78Å; K1010-S1014 WeakPolarHBondContact O-CB 3.49Å |
| 1011 | Y | 48.4 | Very low | 49.1 | Very low | 175 Ų | 175 | 112.1 Ų | 112.1 | 69% | 0.686 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -78.3 | -51.1 | 165.8 | -159.5 | -102.8 | 0 | 0 | 0 | 108.6 | I1007 L1008 S1014 | I1007-Y1011 PolarHBondContact O-N 3.17Å; L1008-Y1011 VanDerWaalsContact O-CA 3.31Å; L1008-Y1011 WeakPolarHBondContact O-CA 3.37Å; L1008-Y1011 WeakPolarHBondContact O-CB 3.38Å; L1008-Y1011 PolarHBondContact O-N 2.8Å; Y1011-S1014 WeakPolarHBondContact O-CB 3.2Å; Y1011-S1014 PolarHBondContact O-N 3.32Å; Y1011-S1014 PolarHBondContact O-OG 3.49Å |
| 1012 | E | 47.3 | Very low | 47 | Very low | 145 Ų | 145 | 116.8 Ų | 116.8 | 68% | 0.678 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -66.2 | -48 | 179.1 | -69.2 | -179.2 | 102 | 0 | 0 | 113.6 | L1008 S1014 D1015 | L1008-E1012 PolarHBondContact O-N 2.82Å; E1012-S1014 PolarHBondContact O-N 2.84Å; E1012-D1015 PolarHBondContact O-N 3.15Å |
| 1013 | T | 45.6 | Very low | 44.9 | Very low | 100 Ų | 100 | 116.8 Ų | 116.8 | 61% | 0.613 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 5.5 | 176.9 | 62.9 | 0 | 0 | 0 | 0 | 114.1 | D1009 | D1009-T1013 VanDerWaalsContact O-CB 3.24Å; D1009-T1013 WeakPolarHBondContact O-CB 3.4Å; D1009-T1013 VanDerWaalsContact O-CG2 3.31Å; D1009-T1013 WeakPolarHBondContact O-CG2 3.46Å; D1009-T1013 PolarHBondContact O-N 2.85Å; D1009-T1013 PolarHBondContact O-OG1 2.73Å; D1009-T1013 WeakPolarHBondContact OD1-CG2 3.31Å |
| 1014 | S | 42.8 | Very low | 43.1 | Very low | 70 Ų | 70 | 119.6 Ų | 119.6 | 49% | 0.49 | 63% | 0.629 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.1 | 13.9 | 165.4 | 80 | 0 | 0 | 0 | 0 | 113.6 | K1010 Y1011 E1012 G1016 | K1010-S1014 WeakPolarHBondContact O-CB 3.49Å; Y1011-S1014 WeakPolarHBondContact O-CB 3.2Å; Y1011-S1014 PolarHBondContact O-N 3.32Å; Y1011-S1014 PolarHBondContact O-OG 3.49Å; E1012-S1014 PolarHBondContact O-N 2.84Å; S1014-G1016 PolarHBondContact O-N 2.89Å |
| 1015 | D | 34.4 | Very low | 41.3 | Very low | 134 Ų | 134 | 123.5 Ų | 123.5 | 72% | 0.717 | 66% | 0.655 | S | S | * | * | trans | -66 | 65 | 168.2 | -171.1 | 23.1 | 0 | 0 | 0 | 113.3 | E1012 | E1012-D1015 PolarHBondContact O-N 3.15Š| ||
| 1016 | G | 32.5 | Very low | 39.4 | Very low | 72 Ų | 72 | 122.9 Ų | 122.9 | 74% | 0.742 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -112.6 | 37.3 | 158.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | S1014 | S1014-G1016 PolarHBondContact O-N 2.89Š|
| 1017 | G | 31.6 | Very low | 37.7 | Very low | 56 Ų | 56 | 124.9 Ų | 124.9 | 58% | 0.577 | 68% | 0.676 | S | S | * | * | S | Bend | trans | 96 | 53.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 1018 | Y | 26.8 | Very low | 36.1 | Very low | 204 Ų | 204 | 124.7 Ų | 124.7 | 80% | 0.8 | 68% | 0.675 | S | S | * | * | trans | -133.8 | 20.7 | 172.2 | -76.8 | -73.8 | 0 | 0 | 0 | 116.8 | K1020 | Y1018-K1020 PolarHBondContact O-N 3.49Å; Y1018-K1020 VanDerWaalsContact O-N 3.07Å | ||
| 1019 | E | 25.7 | Very low | 34.7 | Very low | 187 Ų | 187 | 125.8 Ų | 125.8 | 87% | 0.874 | 68% | 0.681 | S | S | * | * | trans | -73.9 | 92.2 | 167.6 | -80.3 | -148.1 | 128.4 | 0 | 0 | 112.7 | ||||
| 1020 | K | 30.9 | Very low | 33.4 | Very low | 181 Ų | 181 | 125.4 Ų | 125.4 | 79% | 0.787 | 68% | 0.681 | S | S | * | * | trans | -163.2 | 30.9 | 149.1 | -123.3 | -178.9 | -176.8 | -172.6 | 0 | 120.2 | Y1018 | Y1018-K1020 PolarHBondContact O-N 3.49Å; Y1018-K1020 VanDerWaalsContact O-N 3.07Å | ||
| 1021 | I | 28.4 | Very low | 32 | Very low | 143 Ų | 143 | 123.8 Ų | 123.8 | 73% | 0.733 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -142.5 | 121 | 167.2 | -46.8 | 176.4 | 0 | 0 | 0 | 106.3 | ||
| 1022 | L | 26.1 | Very low | 31.2 | Very low | 162 Ų | 162 | 123.3 Ų | 123.3 | 85% | 0.848 | 69% | 0.688 | S | S | * | * | cis | -124.6 | 160.9 | 17.5 | -62.3 | 78.3 | 0 | 0 | 0 | 112.6 | ||||
| 1023 | P | 27 | Very low | 30.1 | Very low | 102 Ų | 102 | 123 Ų | 123 | 66% | 0.662 | 69% | 0.691 | S | S | * | * | trans | -117.9 | 136 | 166.8 | 36.8 | -25.3 | 0 | 0 | 0 | 114.9 | ||||
| 1024 | T | 29.3 | Very low | 29.1 | Very low | 150 Ų | 150 | 126.5 Ų | 126.5 | 92% | 0.92 | 70% | 0.702 | S | S | * | * | trans | -100 | 172.2 | 149.5 | 46 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1025 | S | 27.5 | Very low | 28.2 | Very low | 107 Ų | 107 | 129.1 Ų | 129.1 | 75% | 0.748 | 72% | 0.715 | S | S | * | * | trans | -102.1 | 127.4 | -143.4 | 56.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1026 | L | 25.9 | Very low | 27.8 | Very low | 146 Ų | 146 | 129.4 Ų | 129.4 | 76% | 0.764 | 72% | 0.722 | S | S | * | * | trans | 65.4 | 161.6 | 144.2 | -99.8 | 66.7 | 0 | 0 | 0 | 119.3 | ||||
| 1027 | P | 31.5 | Very low | 27.6 | Very low | 99 Ų | 99 | 132.1 Ų | 132.1 | 64% | 0.643 | 72% | 0.724 | S | S | * | * | cis | -134.5 | 158.6 | -8.3 | 40.2 | -23.6 | 0 | 0 | 0 | 116.8 | ||||
| 1028 | N | 28.9 | Very low | 27.3 | Very low | 54 Ų | 54 | 135.5 Ų | 135.5 | 29% | 0.289 | 73% | 0.734 | S | S | . | * | trans | 61.8 | 106.4 | 135.4 | -75.6 | -15 | 0 | 0 | 0 | 123.7 | N1098 H1099 | N1028-N1098 HydrophobicContact CB-CB 3.63Å; N1028-N1098 PolarHBondContact ND2-O 2.97Å; N1028-N1098 PolarHBondContact OD1-ND2 3.38Å; N1028-H1099 PolarHBondContact ND2-CD2 2.83Å; N1028-H1099 PolarHBondContact ND2-CE1 2.84Å; N1028-H1099 VanDerWaalsContact ND2-CE1 3.27Å; N1028-H1099 PolarHBondContact ND2-NE2 3.34Å; N1028-H1099 VanDerWaalsContact ND2-NE2 3.1Å | ||
| 1029 | L | 28.9 | Very low | 27.3 | Very low | 125 Ų | 125 | 131.6 Ų | 131.6 | 65% | 0.654 | 74% | 0.737 | S | S | * | * | -153.7 | 172.2 | 110.3 | -134.2 | 85.6 | 0 | 0 | 0 | 112.1 | N1098 | L1029-N1098 VanDerWaalsContact CA-CG 3.43Å; L1029-N1098 WeakPolarHBondContact CA-OD1 3.36Å; L1029-N1098 HydrophobicContact CD1-CB 3.9Å; L1029-N1098 HydrophobicContact CG-CB 4.18Å | |||
| 1030 | T | 27.4 | Very low | 27.5 | Very low | 67 Ų | 67 | 129.8 Ų | 129.8 | 41% | 0.411 | 74% | 0.738 | S | S | . | * | trans | -99.5 | 155.7 | -159 | 14.6 | 0 | 0 | 0 | 0 | 118 | N1098 | T1030-N1098 WeakPolarHBondContact CA-OD1 3.45Å; T1030-N1098 WeakPolarHBondContact CB-OD1 3.49Å; T1030-N1098 WeakPolarHBondContact CG2-OD1 3.2Å; T1030-N1098 PolarHBondContact N-OD1 3.27Å; T1030-N1098 PolarHBondContact OG1-OD1 3.4Å | ||
| 1031 | N | 25.9 | Very low | 27.3 | Very low | 120 Ų | 120 | 124.8 Ų | 124.8 | 64% | 0.642 | 74% | 0.738 | S | S | * | * | trans | 48.8 | 124.1 | 142.2 | -66.4 | -19.3 | 0 | 0 | 0 | 119.8 | ||||
| 1032 | I | 29.9 | Very low | 27.4 | Very low | 166 Ų | 166 | 121.8 Ų | 121.8 | 85% | 0.851 | 74% | 0.742 | S | S | * | * | -153.9 | 142 | 99.7 | -99.2 | 153 | 0 | 0 | 0 | 109.5 | |||||
| 1033 | N | 25.7 | Very low | 27.6 | Very low | 138 Ų | 138 | 120.1 Ų | 120.1 | 74% | 0.738 | 74% | 0.739 | S | S | * | * | trans | -79.5 | 145.4 | 174.8 | -64.9 | -41.2 | 0 | 0 | 0 | 110.6 | ||||
| 1034 | M | 23.9 | Very low | 27.6 | Very low | 174 Ų | 174 | 122.5 Ų | 122.5 | 86% | 0.857 | 74% | 0.744 | S | S | * | * | -173.4 | 159.9 | 100.5 | -102.7 | -165.1 | -69.1 | 0 | 0 | 115.5 | |||||
| 1035 | T | 24.6 | Very low | 27.7 | Very low | 124 Ų | 124 | 120.1 Ų | 120.1 | 76% | 0.761 | 73% | 0.731 | S | S | * | * | trans | -54 | 143.8 | 168.2 | 48.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1036 | T | 25.7 | Very low | 27.6 | Very low | 140 Ų | 140 | 120.5 Ų | 120.5 | 86% | 0.859 | 73% | 0.73 | S | S | * | * | trans | -149.4 | 118.5 | 144.2 | 32.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1037 | T | 27.4 | Very low | 27.6 | Very low | 129 Ų | 129 | 120.4 Ų | 120.4 | 79% | 0.791 | 73% | 0.728 | S | S | * | * | trans | -91.2 | 133.1 | 147.1 | 43.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1038 | T | 25.4 | Very low | 27.3 | Very low | 127 Ų | 127 | 124.7 Ų | 124.7 | 78% | 0.779 | 74% | 0.739 | S | S | * | * | trans | 41.8 | 104.8 | 158.2 | 56.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1039 | S | 28.5 | Very low | 27.2 | Very low | 123 Ų | 123 | 125.1 Ų | 125.1 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | 173.1 | 170.3 | 104.4 | 49.8 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1040 | V | 28.5 | Very low | 27 | Very low | 148 Ų | 148 | 125.1 Ų | 125.1 | 90% | 0.897 | 76% | 0.762 | S | S | * | * | trans | -62.4 | 140.4 | -175.7 | -176.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1041 | G | 27.9 | Very low | 26.9 | Very low | 77 Ų | 77 | 129 Ų | 129 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | -83.1 | 166.6 | -169 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1042 | G | 30.5 | Very low | 26.9 | Very low | 79 Ų | 79 | 131.7 Ų | 131.7 | 81% | 0.814 | 79% | 0.794 | S | S | * | * | trans | -169.9 | 146.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1043 | T | 29.7 | Very low | 26.6 | Very low | 127 Ų | 127 | 129.3 Ų | 129.3 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | trans | -117.6 | 138 | -156.4 | 39.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1044 | I | 26.4 | Very low | 27.2 | Very low | 152 Ų | 152 | 127.9 Ų | 127.9 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | trans | 72.1 | 141.2 | 135.3 | -70.7 | 171.7 | 0 | 0 | 0 | 118.2 | ||||
| 1045 | P | 32.7 | Very low | 27.2 | Very low | 100 Ų | 100 | 126.3 Ų | 126.3 | 65% | 0.649 | 78% | 0.783 | S | S | * | * | cis | -148.8 | -163.8 | -25.5 | 42.3 | -20.4 | 0 | 0 | 0 | 116.5 | ||||
| 1046 | T | 24.4 | Very low | 27.2 | Very low | 116 Ų | 116 | 128 Ų | 128 | 71% | 0.712 | 78% | 0.782 | S | S | * | * | trans | 84.3 | 127.2 | 144.4 | 42.7 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 1047 | I | 26 | Very low | 27.1 | Very low | 143 Ų | 143 | 126 Ų | 126 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | trans | 97.7 | 112.9 | 133.2 | -73.5 | 165.2 | 0 | 0 | 0 | 122.4 | ||||
| 1048 | H | 25.5 | Very low | 27.1 | Very low | 189 Ų | 189 | 126.6 Ų | 126.6 | 88% | 0.875 | 77% | 0.771 | S | S | * | * | trans | 54.3 | 139.6 | 148.1 | -80.6 | -112.8 | 0 | 0 | 0 | 124.7 | ||||
| 1049 | G | 25.6 | Very low | 27.1 | Very low | 64 Ų | 64 | 128.2 Ų | 128.2 | 66% | 0.66 | 77% | 0.77 | S | S | * | * | 135.5 | 65.2 | 125 | 0 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 1050 | T | 25.5 | Very low | 27.1 | Very low | 125 Ų | 125 | 130.3 Ų | 130.3 | 77% | 0.767 | 77% | 0.765 | S | S | * | * | trans | 40 | 124.7 | 143.3 | 55.1 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 1051 | N | 24.4 | Very low | 27.1 | Very low | 147 Ų | 147 | 128.6 Ų | 128.6 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | trans | 60.1 | 117.2 | 136.6 | -55.8 | -19.6 | 0 | 0 | 0 | 122.6 | ||||
| 1052 | L | 27.6 | Very low | 26.9 | Very low | 177 Ų | 177 | 134 Ų | 134 | 93% | 0.927 | 76% | 0.76 | S | S | * | * | 170.4 | 172.5 | 116.4 | -91.8 | 162.3 | 0 | 0 | 0 | 114.1 | |||||
| 1053 | C | 22.7 | Very low | 26.6 | Very low | 116 Ų | 116 | 138.3 Ų | 138.3 | 78% | 0.784 | 76% | 0.758 | S | S | * | * | trans | -114.9 | -177.7 | -177.4 | -81.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1054 | P | 37.8 | Very low | 26.4 | Very low | 108 Ų | 108 | 138.3 Ų | 138.3 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | cis | -135.9 | -160.3 | -39.3 | 33.8 | -12.1 | 0 | 0 | 0 | 113.1 | ||||
| 1055 | L | 24.2 | Very low | 26.4 | Very low | 142 Ų | 142 | 136.4 Ų | 136.4 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | trans | 95 | 117.9 | 151.7 | -72.9 | 161.8 | 0 | 0 | 0 | 123.4 | ||||
| 1056 | Q | 24.5 | Very low | 26.2 | Very low | 158 Ų | 158 | 140.8 Ų | 140.8 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | trans | 81.2 | 129.8 | 131.1 | -90 | 177 | -33.8 | 0 | 0 | 125.5 | ||||
| 1057 | C | 24.3 | Very low | 26 | Very low | 100 Ų | 100 | 139.8 Ų | 139.8 | 68% | 0.676 | 77% | 0.773 | S | S | * | * | trans | 73.2 | 139.3 | 144 | -67 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1058 | L | 26.4 | Very low | 26 | Very low | 141 Ų | 141 | 138.8 Ų | 138.8 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | cis | -164.4 | 157.6 | -18.5 | -153.2 | 71 | 0 | 0 | 0 | 111.2 | ||||
| 1059 | Q | 26.4 | Very low | 25.9 | Very low | 161 Ų | 161 | 136.1 Ų | 136.1 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | trans | 69.5 | 102.2 | 143.9 | -153.8 | 163.5 | 11.1 | 0 | 0 | 121.3 | ||||
| 1060 | H | 27.3 | Very low | 25.8 | Very low | 166 Ų | 166 | 138.4 Ų | 138.4 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | -164.7 | 162.8 | 101.2 | -147.3 | -97.3 | 0 | 0 | 0 | 112.4 | |||||
| 1061 | V | 28.8 | Very low | 25.9 | Very low | 112 Ų | 112 | 138.6 Ų | 138.6 | 68% | 0.679 | 78% | 0.776 | S | S | * | * | trans | 64.9 | 109.6 | 179.2 | -170.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1062 | Q | 24.3 | Very low | 25.8 | Very low | 190 Ų | 190 | 135 Ų | 135 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | trans | -97.7 | 103.1 | 177.8 | -68.2 | 172.7 | -89.9 | 0 | 0 | 111.9 | ||||
| 1063 | H | 25.3 | Very low | 25.6 | Very low | 170 Ų | 170 | 132.2 Ų | 132.2 | 79% | 0.787 | 76% | 0.76 | S | S | * | * | trans | -142.5 | 155.2 | 155.8 | -74.5 | -73.6 | 0 | 0 | 0 | 109.5 | ||||
| 1064 | S | 24.3 | Very low | 25.7 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 89% | 0.888 | 75% | 0.749 | S | S | * | * | trans | 77.1 | 115.7 | 179.5 | 77.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1065 | S | 26.2 | Very low | 25.1 | Very low | 112 Ų | 112 | 127.9 Ų | 127.9 | 78% | 0.783 | 73% | 0.732 | S | S | * | * | trans | -168.2 | 126.9 | 155.4 | 54.8 | 0 | 0 | 0 | 0 | 107 | ||||
| 1066 | Q | 28 | Very low | 25.1 | Very low | 192 Ų | 192 | 128.5 Ų | 128.5 | 90% | 0.897 | 73% | 0.734 | S | S | * | * | cis | -146.5 | 153.7 | -2.3 | -97.1 | 165.9 | -24 | 0 | 0 | 109.8 | ||||
| 1067 | S | 21.9 | Very low | 25.1 | Very low | 96 Ų | 96 | 126.2 Ų | 126.2 | 67% | 0.671 | 72% | 0.724 | S | S | * | * | trans | -75.7 | 177.1 | 171.6 | -20.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1068 | P | 25.4 | Very low | 25.1 | Very low | 121 Ų | 121 | 125.9 Ų | 125.9 | 79% | 0.786 | 72% | 0.723 | S | S | * | * | cis | -110.8 | 162.7 | 23.6 | 40.1 | -30.6 | 0 | 0 | 0 | 114.1 | ||||
| 1069 | I | 23.5 | Very low | 25 | Very low | 134 Ų | 134 | 123.7 Ų | 123.7 | 69% | 0.687 | 73% | 0.725 | S | S | * | * | cis | 79 | 82.1 | 34.3 | -53.8 | 170.8 | 0 | 0 | 0 | 114 | ||||
| 1070 | S | 23 | Very low | 24.9 | Very low | 111 Ų | 111 | 123.8 Ų | 123.8 | 78% | 0.776 | 73% | 0.729 | S | S | * | * | trans | 63.9 | 168.4 | 140.4 | -61.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1071 | P | 26.9 | Very low | 24.7 | Very low | 129 Ų | 129 | 120.2 Ų | 120.2 | 84% | 0.838 | 72% | 0.719 | S | S | * | * | cis | -128.8 | -178.5 | -13.1 | 34.6 | -16.4 | 0 | 0 | 0 | 114.5 | ||||
| 1072 | G | 23.3 | Very low | 24.5 | Very low | 73 Ų | 73 | 118.8 Ų | 118.8 | 75% | 0.753 | 71% | 0.714 | S | S | * | * | trans | 133 | 123.8 | 133.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1073 | L | 23.4 | Very low | 24.5 | Very low | 118 Ų | 118 | 113.1 Ų | 113.1 | 62% | 0.618 | 70% | 0.695 | S | S | * | * | trans | -108.3 | 171.6 | 158.3 | -58.6 | 179.2 | 0 | 0 | 0 | 106.9 | I1104 | L1073-I1104 HydrophobicContact CB-CD1 3.96Å; L1073-I1104 HydrophobicContact CB-CG1 4.28Å; L1073-I1104 WeakPolarHBondContact O-CD1 3.4Å | ||
| 1074 | C | 24.4 | Very low | 24.4 | Very low | 84 Ų | 84 | 109.7 Ų | 109.7 | 57% | 0.568 | 69% | 0.69 | S | S | * | * | cis | -163.1 | -157.3 | -26.6 | -93.4 | 0 | 0 | 0 | 0 | 103.3 | I1104 | C1074-I1104 HydrophobicContact CB-CG1 4.3Å; C1074-I1104 VanDerWaalsContact N-CG1 3.29Å | ||
| 1075 | S | 24.6 | Very low | 24.5 | Very low | 48 Ų | 48 | 108.8 Ų | 108.8 | 34% | 0.336 | 68% | 0.684 | S | S | . | * | cis | -170.6 | 178.6 | 13.9 | -171.8 | 0 | 0 | 0 | 0 | 107.5 | Y1105 | S1075-Y1105 WeakPolarHBondContact CB-O 3.2Å; S1075-Y1105 VanDerWaalsContact OG-C 3.23Å; S1075-Y1105 PolarHBondContact OG-O 3.44Å | ||
| 1076 | I | 25 | Very low | 24.5 | Very low | 155 Ų | 155 | 110.9 Ų | 110.9 | 80% | 0.795 | 69% | 0.686 | S | S | * | * | trans | 165.2 | 144.5 | 141.7 | -88.9 | 154.6 | 0 | 0 | 0 | 112.4 | ||||
| 1077 | Q | 24.7 | Very low | 24.4 | Very low | 110 Ų | 110 | 109.2 Ų | 109.2 | 51% | 0.514 | 68% | 0.682 | S | S | . | * | trans | -157 | 115.3 | 164.6 | 168.8 | 53.4 | 48.3 | 0 | 0 | 111 | ||||
| 1078 | S | 24.8 | Very low | 24.7 | Very low | 94 Ų | 94 | 112.5 Ų | 112.5 | 66% | 0.657 | 69% | 0.692 | S | S | * | * | trans | 57.2 | 153.8 | 168.7 | 44.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1079 | A | 23.5 | Very low | 24.8 | Very low | 95 Ų | 95 | 112.7 Ų | 112.7 | 79% | 0.785 | 69% | 0.687 | S | S | * | * | cis | -129.2 | -114.6 | -13.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1080 | I | 24.2 | Very low | 24.8 | Very low | 162 Ų | 162 | 112 Ų | 112 | 83% | 0.831 | 68% | 0.684 | S | S | * | * | cis | -142.6 | 166.2 | 4 | -72.3 | 174 | 0 | 0 | 0 | 108.4 | ||||
| 1081 | T | 23.4 | Very low | 25.1 | Very low | 92 Ų | 92 | 113.3 Ų | 113.3 | 56% | 0.564 | 68% | 0.683 | S | S | * | * | trans | -70.7 | 141.2 | -178.4 | 47 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1082 | S | 24.2 | Very low | 25 | Very low | 81 Ų | 81 | 113.1 Ų | 113.1 | 57% | 0.566 | 68% | 0.675 | S | S | * | * | trans | 60.8 | 110.7 | 135.1 | -56.5 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1083 | S | 23.6 | Very low | 25.1 | Very low | 71 Ų | 71 | 115.6 Ų | 115.6 | 50% | 0.497 | 67% | 0.67 | S | S | . | * | 45.2 | 129 | 128.6 | 67 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 1084 | S | 24 | Very low | 25.1 | Very low | 98 Ų | 98 | 116.1 Ų | 116.1 | 69% | 0.685 | 67% | 0.674 | S | S | * | * | -178 | 179.2 | 71.1 | -94 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1085 | S | 26.8 | Very low | 25.2 | Very low | 109 Ų | 109 | 115.8 Ų | 115.8 | 76% | 0.762 | 67% | 0.67 | S | S | * | * | trans | 77.1 | 89.1 | 162.9 | 74.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1086 | L | 26 | Very low | 25.2 | Very low | 156 Ų | 156 | 118.1 Ų | 118.1 | 82% | 0.817 | 68% | 0.682 | S | S | * | * | 48.6 | 120.3 | 120.1 | -63.4 | 167.2 | 0 | 0 | 0 | 123.1 | |||||
| 1087 | L | 25.9 | Very low | 25.2 | Very low | 157 Ų | 157 | 116.3 Ų | 116.3 | 82% | 0.822 | 68% | 0.678 | S | S | * | * | trans | 49.3 | 122.9 | 131.4 | -60 | 173.6 | 0 | 0 | 0 | 121.7 | ||||
| 1088 | D | 28.2 | Very low | 25.1 | Very low | 164 Ų | 164 | 112.3 Ų | 112.3 | 88% | 0.877 | 66% | 0.66 | S | S | * | * | -155 | -174.6 | 104.5 | -142.5 | -26.1 | 0 | 0 | 0 | 112.1 | |||||
| 1089 | N | 26.7 | Very low | 25.2 | Very low | 126 Ų | 126 | 114.9 Ų | 114.9 | 67% | 0.674 | 66% | 0.662 | S | S | * | * | trans | -113.5 | 156.2 | -144.5 | -136.7 | -23.9 | 0 | 0 | 0 | 117.7 | ||||
| 1090 | N | 24.7 | Very low | 25.2 | Very low | 119 Ų | 119 | 115.6 Ų | 115.6 | 64% | 0.636 | 65% | 0.652 | S | S | * | * | trans | 47.9 | 113.9 | 154.6 | -67.7 | -44.9 | 0 | 0 | 0 | 121.7 | ||||
| 1091 | N | 28.1 | Very low | 25.3 | Very low | 139 Ų | 139 | 115.7 Ų | 115.7 | 74% | 0.743 | 65% | 0.654 | S | S | * | * | -174.1 | 115.7 | 98 | -103.9 | -69.9 | 0 | 0 | 0 | 116 | |||||
| 1092 | N | 25.5 | Very low | 25.4 | Very low | 125 Ų | 125 | 116.1 Ų | 116.1 | 67% | 0.668 | 66% | 0.661 | S | S | * | * | 43 | 125.4 | 129.4 | -72.5 | -40.9 | 0 | 0 | 0 | 123.6 | |||||
| 1093 | N | 24.8 | Very low | 25.4 | Very low | 124 Ų | 124 | 115.7 Ų | 115.7 | 66% | 0.663 | 66% | 0.658 | S | S | * | * | trans | 90.7 | 111.7 | 136.6 | -65.8 | -24.4 | 0 | 0 | 0 | 121.6 | ||||
| 1094 | N | 24.1 | Very low | 25.5 | Very low | 129 Ų | 129 | 114.9 Ų | 114.9 | 69% | 0.69 | 65% | 0.648 | S | S | * | * | trans | 71.5 | 140.8 | 149.8 | -59.8 | -45.2 | 0 | 0 | 0 | 116.9 | ||||
| 1095 | T | 26.8 | Very low | 25.6 | Very low | 78 Ų | 78 | 117.4 Ų | 117.4 | 48% | 0.479 | 64% | 0.644 | S | S | . | * | cis | -153.1 | 143.4 | 11.7 | -17.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1096 | T | 24.2 | Very low | 25.5 | Very low | 96 Ų | 96 | 114.5 Ų | 114.5 | 59% | 0.589 | 63% | 0.626 | S | S | * | * | trans | 39.9 | 123.6 | 147.4 | 48.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1097 | T | 24.9 | Very low | 25.5 | Very low | 118 Ų | 118 | 113.5 Ų | 113.5 | 72% | 0.724 | 62% | 0.621 | S | S | * | * | trans | 61.8 | 105.4 | 140.2 | 59.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1098 | N | 22.5 | Very low | 25.5 | Very low | 26 Ų | 26 | 110.3 Ų | 110.3 | 14% | 0.139 | 61% | 0.612 | C | S | . | * | trans | -153.1 | 144.2 | 151.8 | -158.8 | 68.7 | 0 | 0 | 0 | 110 | N1028 L1029 T1030 | N1028-N1098 HydrophobicContact CB-CB 3.63Å; N1028-N1098 PolarHBondContact ND2-O 2.97Å; N1028-N1098 PolarHBondContact OD1-ND2 3.38Å; L1029-N1098 VanDerWaalsContact CA-CG 3.43Å; L1029-N1098 WeakPolarHBondContact CA-OD1 3.36Å; L1029-N1098 HydrophobicContact CD1-CB 3.9Å; L1029-N1098 HydrophobicContact CG-CB 4.18Å; T1030-N1098 WeakPolarHBondContact CA-OD1 3.45Å; T1030-N1098 WeakPolarHBondContact CB-OD1 3.49Å; T1030-N1098 WeakPolarHBondContact CG2-OD1 3.2Å; T1030-N1098 PolarHBondContact N-OD1 3.27Å; T1030-N1098 PolarHBondContact OG1-OD1 3.4Å | ||
| 1099 | H | 26.4 | Very low | 25.4 | Very low | 147 Ų | 147 | 112.3 Ų | 112.3 | 68% | 0.681 | 61% | 0.607 | S | S | * | * | trans | -159.4 | 105.3 | 140.9 | -105.3 | -71.7 | 0 | 0 | 0 | 108.7 | N1028 | N1028-H1099 PolarHBondContact ND2-CD2 2.83Å; N1028-H1099 PolarHBondContact ND2-CE1 2.84Å; N1028-H1099 VanDerWaalsContact ND2-CE1 3.27Å; N1028-H1099 PolarHBondContact ND2-NE2 3.34Å; N1028-H1099 VanDerWaalsContact ND2-NE2 3.1Å | ||
| 1100 | N | 24.2 | Very low | 25.3 | Very low | 111 Ų | 111 | 115.4 Ų | 115.4 | 59% | 0.594 | 61% | 0.611 | S | S | * | * | trans | -154.8 | 118.8 | 161.3 | -108.1 | -10.3 | 0 | 0 | 0 | 105.8 | ||||
| 1101 | N | 25.5 | Very low | 25.3 | Very low | 163 Ų | 163 | 114.4 Ų | 114.4 | 87% | 0.872 | 61% | 0.609 | S | S | * | * | trans | -177.6 | 140.5 | 151.4 | -98.6 | -17.6 | 0 | 0 | 0 | 111 | ||||
| 1102 | S | 26 | Very low | 25.3 | Very low | 102 Ų | 102 | 113.7 Ų | 113.7 | 71% | 0.713 | 62% | 0.615 | S | S | * | * | trans | -136.2 | 130 | 177.5 | 54.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 1103 | S | 24.9 | Very low | 25.3 | Very low | 72 Ų | 72 | 113 Ų | 113 | 50% | 0.503 | 61% | 0.611 | S | S | . | * | trans | -163.8 | 113.8 | 171.7 | -168.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1104 | I | 25.9 | Very low | 25.4 | Very low | 54 Ų | 54 | 112.6 Ų | 112.6 | 28% | 0.277 | 61% | 0.609 | S | S | . | * | 52.4 | 125.8 | 78.8 | -54.5 | 173.1 | 0 | 0 | 0 | 111.2 | L1073 C1074 | L1073-I1104 HydrophobicContact CB-CD1 3.96Å; L1073-I1104 HydrophobicContact CB-CG1 4.28Å; L1073-I1104 WeakPolarHBondContact O-CD1 3.4Å; C1074-I1104 HydrophobicContact CB-CG1 4.3Å; C1074-I1104 VanDerWaalsContact N-CG1 3.29Å | |||
| 1105 | Y | 26.4 | Very low | 25.4 | Very low | 151 Ų | 151 | 117.7 Ų | 117.7 | 59% | 0.592 | 62% | 0.618 | S | S | * | * | cis | -130.7 | -149.3 | 28.8 | -138.6 | -79.9 | 0 | 0 | 0 | 114.3 | S1075 | S1075-Y1105 WeakPolarHBondContact CB-O 3.2Å; S1075-Y1105 VanDerWaalsContact OG-C 3.23Å; S1075-Y1105 PolarHBondContact OG-O 3.44Å | ||
| 1106 | A | 23.9 | Very low | 25.5 | Very low | 47 Ų | 47 | 121.4 Ų | 121.4 | 39% | 0.388 | 64% | 0.635 | S | S | . | * | trans | -103.8 | 170.4 | -165.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1107 | N | 26.4 | Very low | 25.6 | Very low | 135 Ų | 135 | 126.4 Ų | 126.4 | 72% | 0.722 | 65% | 0.648 | S | S | * | * | -156.5 | 129.5 | 82.4 | -85.2 | -29.9 | 0 | 0 | 0 | 114.4 | |||||
| 1108 | S | 26.4 | Very low | 25.8 | Very low | 90 Ų | 90 | 126.8 Ų | 126.8 | 63% | 0.629 | 64% | 0.64 | S | S | * | * | trans | -168.8 | 134.7 | 136.9 | -174.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1109 | W | 24.1 | Very low | 26 | Very low | 206 Ų | 206 | 132.7 Ų | 132.7 | 78% | 0.78 | 67% | 0.672 | S | S | * | * | trans | -144.2 | 112.9 | 169.3 | -90.3 | 78.2 | 0 | 0 | 0 | 109.5 | V1111 | W1109-V1111 HydrophobicContact CE3-CG2 4.5Š| ||
| 1110 | Y | 25 | Very low | 26.1 | Very low | 192 Ų | 192 | 131.8 Ų | 131.8 | 75% | 0.753 | 68% | 0.679 | S | S | * | * | trans | -142.1 | 138.3 | 151.4 | -126.9 | -86.4 | 0 | 0 | 0 | 108.8 | S1112 | Y1110-S1112 PolarHBondContact O-N 3.01Š| ||
| 1111 | V | 26 | Very low | 26.3 | Very low | 98 Ų | 98 | 130.9 Ų | 130.9 | 59% | 0.594 | 69% | 0.687 | S | S | * | * | trans | -87.5 | 110.4 | -165.5 | 177.4 | 0 | 0 | 0 | 0 | 110.9 | W1109 L1113 | W1109-V1111 HydrophobicContact CE3-CG2 4.5Å; V1111-L1113 HydrophobicContact CG1-CD1 4.06Å; V1111-L1113 HydrophobicContact CG1-CG 3.78Å | ||
| 1112 | S | 26.9 | Very low | 26.4 | Very low | 123 Ų | 123 | 131.8 Ų | 131.8 | 86% | 0.86 | 69% | 0.686 | S | S | * | * | trans | -106.9 | 101 | 163.6 | -64.2 | 0 | 0 | 0 | 0 | 109.4 | Y1110 | Y1110-S1112 PolarHBondContact O-N 3.01Š| ||
| 1113 | L | 26.8 | Very low | 26.4 | Very low | 112 Ų | 112 | 133.4 Ų | 133.4 | 59% | 0.586 | 70% | 0.696 | S | S | * | * | trans | -89.1 | 149.6 | 174.4 | -78.8 | 168.4 | 0 | 0 | 0 | 111.2 | V1111 | V1111-L1113 HydrophobicContact CG1-CD1 4.06Å; V1111-L1113 HydrophobicContact CG1-CG 3.78Å | ||
| 1114 | N | 26 | Very low | 26.5 | Very low | 115 Ų | 115 | 138 Ų | 138 | 62% | 0.615 | 71% | 0.714 | S | S | * | * | S | Bend | trans | 65.4 | 62.9 | 170.1 | -75.7 | 4.5 | 0 | 0 | 0 | 118.9 | ||
| 1115 | R | 25 | Very low | 26.5 | Very low | 236 Ų | 236 | 141.1 Ų | 141.1 | 89% | 0.891 | 74% | 0.738 | S | S | * | * | -142.7 | 89.3 | 123.1 | -90.6 | -161.3 | -179.3 | -155.2 | 2.9 | 110.9 | |||||
| 1116 | N | 27.4 | Very low | 26.5 | Very low | 156 Ų | 156 | 142.4 Ų | 142.4 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | trans | -160.4 | 102.8 | 157.6 | -113.5 | -27.9 | 0 | 0 | 0 | 113.2 | ||||
| 1117 | K | 27.8 | Very low | 26.5 | Very low | 200 Ų | 200 | 148.6 Ų | 148.6 | 87% | 0.87 | 77% | 0.772 | S | S | * | * | trans | -142.6 | 86.3 | 149.8 | -83.6 | -168 | 178 | -179 | 0 | 107.2 | ||||
| 1118 | F | 28 | Very low | 26.5 | Very low | 127 Ų | 127 | 150.4 Ų | 150.4 | 56% | 0.557 | 78% | 0.778 | S | S | * | * | trans | -150.5 | 139.8 | 137.8 | -115.8 | -72 | 0 | 0 | 0 | 111.9 | L1286 | F1118-L1286 HydrophobicContact CE2-CB 3.6Å; F1118-L1286 HydrophobicContact CE2-CD1 3.93Å; F1118-L1286 HydrophobicContact CE2-CD2 4.22Å; F1118-L1286 HydrophobicContact CE2-CG 4.1Å; F1118-L1286 HydrophobicContact CZ-CB 3.56Å; F1118-L1286 HydrophobicContact CZ-CD1 3.93Å; F1118-L1286 HydrophobicContact CZ-CG 4.29Å | ||
| 1119 | N | 26.5 | Very low | 26.5 | Very low | 150 Ų | 150 | 152.5 Ų | 152.5 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | trans | -90 | 125.1 | 178.8 | -73.5 | -34 | 0 | 0 | 0 | 110.7 | A1121 | N1119-A1121 PolarHBondContact O-N 3.48Š| ||
| 1120 | P | 28.6 | Very low | 26.4 | Very low | 127 Ų | 127 | 151.2 Ų | 151.2 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | -81.5 | 106.5 | 152.6 | 31.5 | -28 | 0 | 0 | 0 | 108.8 | Q1122 | P1120-Q1122 PolarHBondContact O-N 3.43Š| ||
| 1121 | A | 28.2 | Very low | 26.6 | Very low | 93 Ų | 93 | 150.5 Ų | 150.5 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -81.8 | 107.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | N1119 | N1119-A1121 PolarHBondContact O-N 3.48Š| ||
| 1122 | Q | 27.8 | Very low | 26.5 | Very low | 182 Ų | 182 | 150.4 Ų | 150.4 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | 41.8 | 114.5 | 149.6 | -60.4 | 177.2 | -4.8 | 0 | 0 | 119 | P1120 | P1120-Q1122 PolarHBondContact O-N 3.43Š| ||
| 1123 | C | 26.4 | Very low | 26.5 | Very low | 136 Ų | 136 | 150.9 Ų | 150.9 | 92% | 0.919 | 79% | 0.785 | S | S | * | * | -140.3 | 141.8 | 121.5 | -96.8 | 0 | 0 | 0 | 0 | 110 | |||||
| 1124 | L | 26.8 | Very low | 26.6 | Very low | 167 Ų | 167 | 153.1 Ų | 153.1 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | -91.9 | 145.5 | 177.5 | -71.2 | 163.5 | 0 | 0 | 0 | 109.7 | ||||
| 1125 | P | 26.2 | Very low | 26.6 | Very low | 120 Ų | 120 | 152.3 Ų | 152.3 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | trans | -74.3 | 150.9 | 167.8 | 33.1 | -34.2 | 0 | 0 | 0 | 110.4 | ||||
| 1126 | M | 27 | Very low | 26.6 | Very low | 178 Ų | 178 | 149.4 Ų | 149.4 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | trans | -145.2 | 110.1 | 157.6 | -164.3 | 171.6 | -167.3 | 0 | 0 | 109 | ||||
| 1127 | E | 23.1 | Very low | 26.6 | Very low | 177 Ų | 177 | 151 Ų | 151 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | trans | -70 | 147.6 | 168 | -59.1 | 175.9 | 120 | 0 | 0 | 109.9 | ||||
| 1128 | M | 25.7 | Very low | 26.5 | Very low | 173 Ų | 173 | 149.4 Ų | 149.4 | 85% | 0.852 | 80% | 0.795 | S | S | * | * | -151.3 | 110.2 | 129.6 | -85.1 | -144.5 | -174.6 | 0 | 0 | 110.7 | |||||
| 1129 | N | 27.6 | Very low | 26.6 | Very low | 135 Ų | 135 | 148.8 Ų | 148.8 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | 53.8 | 125.7 | 125.6 | -156.3 | 55.6 | 0 | 0 | 0 | 119.5 | |||||
| 1130 | E | 22.3 | Very low | 26.5 | Very low | 178 Ų | 178 | 147.1 Ų | 147.1 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -61.2 | 147.7 | 166.2 | -58.5 | -177.1 | 121.8 | 0 | 0 | 111.9 | ||||
| 1131 | H | 28.5 | Very low | 26.2 | Very low | 177 Ų | 177 | 149.1 Ų | 149.1 | 82% | 0.819 | 80% | 0.804 | S | S | * | * | trans | -145.2 | 128.8 | 141.7 | -105.3 | -62 | 0 | 0 | 0 | 110.4 | ||||
| 1132 | S | 23.3 | Very low | 26.1 | Very low | 97 Ų | 97 | 149.1 Ų | 149.1 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | trans | -73.9 | 143.2 | -179.3 | 47.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1133 | N | 27.8 | Very low | 25.9 | Very low | 133 Ų | 133 | 148.2 Ų | 148.2 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | -173.7 | 141.9 | 128.3 | -104.9 | -72.1 | 0 | 0 | 0 | 113.6 | |||||
| 1134 | Q | 29 | Very low | 25.9 | Very low | 159 Ų | 159 | 150.4 Ų | 150.4 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | trans | 61.1 | 93.2 | 145 | -69.7 | 167.1 | 47.3 | 0 | 0 | 120.8 | ||||
| 1135 | S | 25.3 | Very low | 25.8 | Very low | 97 Ų | 97 | 146.8 Ų | 146.8 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | 51.5 | 124 | 116.7 | 63.2 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 1136 | Q | 24.9 | Very low | 25.8 | Very low | 176 Ų | 176 | 147.3 Ų | 147.3 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | 40.6 | 112.2 | 135.5 | -54.7 | -178.1 | 6.8 | 0 | 0 | 119.4 | ||||
| 1137 | Q | 27.5 | Very low | 25.8 | Very low | 190 Ų | 190 | 144.1 Ų | 144.1 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | -174.9 | 173.5 | 97.3 | -99.2 | -171.4 | 3 | 0 | 0 | 113.3 | |||||
| 1138 | L | 24.9 | Very low | 26 | Very low | 166 Ų | 166 | 140.9 Ų | 140.9 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | trans | -82.7 | 163.5 | -173.1 | -81 | 147 | 0 | 0 | 0 | 113.4 | ||||
| 1139 | P | 30.3 | Very low | 26.1 | Very low | 114 Ų | 114 | 137.4 Ų | 137.4 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | trans | -93 | 153.4 | -162.1 | 35.6 | -37 | 0 | 0 | 0 | 115.6 | ||||
| 1140 | S | 24.5 | Very low | 26.1 | Very low | 114 Ų | 114 | 138.6 Ų | 138.6 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | trans | -162.9 | 115 | 150 | 35.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 1141 | M | 24 | Very low | 26.6 | Very low | 169 Ų | 169 | 135.3 Ų | 135.3 | 83% | 0.833 | 77% | 0.768 | S | S | * | * | 66.5 | 133.6 | 129.9 | -60.4 | -93.2 | 59.9 | 0 | 0 | 124.8 | |||||
| 1142 | S | 24.8 | Very low | 26.5 | Very low | 93 Ų | 93 | 132.3 Ų | 132.3 | 65% | 0.65 | 77% | 0.767 | S | S | * | * | trans | 68.8 | 98.3 | 140.1 | 55.9 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1143 | L | 23.3 | Very low | 26.8 | Very low | 164 Ų | 164 | 133.9 Ų | 133.9 | 86% | 0.859 | 77% | 0.773 | S | S | * | * | 39 | 125.3 | 120.9 | -62.1 | 168.6 | 0 | 0 | 0 | 121.1 | |||||
| 1144 | H | 27 | Very low | 26.7 | Very low | 182 Ų | 182 | 133.3 Ų | 133.3 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | -171.4 | 115.5 | 121.7 | -110.4 | -141.1 | 0 | 0 | 0 | 115.4 | |||||
| 1145 | S | 25.5 | Very low | 26.6 | Very low | 90 Ų | 90 | 135.8 Ų | 135.8 | 63% | 0.629 | 78% | 0.777 | S | S | * | * | trans | 57.6 | 109.5 | 131.4 | -51.2 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 1146 | T | 25 | Very low | 26.6 | Very low | 131 Ų | 131 | 138.4 Ų | 138.4 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | 76.5 | 126.7 | 124.9 | 57.8 | 0 | 0 | 0 | 0 | 125.5 | |||||
| 1147 | S | 28 | Very low | 26.5 | Very low | 112 Ų | 112 | 137.7 Ų | 137.7 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | 120.4 | 103.7 | 129.3 | 71.7 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 1148 | S | 26.1 | Very low | 26.4 | Very low | 108 Ų | 108 | 138.2 Ų | 138.2 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | trans | 54.9 | 108.7 | 136.3 | 56.2 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 1149 | S | 28.7 | Very low | 26.3 | Very low | 100 Ų | 100 | 140.8 Ų | 140.8 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | 82.9 | 110.9 | 119.5 | 67.5 | 0 | 0 | 0 | 0 | 126.1 | |||||
| 1150 | I | 28.1 | Very low | 26 | Very low | 160 Ų | 160 | 141.5 Ų | 141.5 | 82% | 0.821 | 77% | 0.77 | S | S | * | * | 71.9 | 146 | 125.3 | -66.2 | 172.2 | 0 | 0 | 0 | 118.6 | |||||
| 1151 | P | 32.5 | Very low | 25.9 | Very low | 109 Ų | 109 | 144.8 Ų | 144.8 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | cis | -131 | 166.4 | 9.6 | 27.1 | -3.7 | 0 | 0 | 0 | 119.5 | ||||
| 1152 | S | 25.7 | Very low | 25.9 | Very low | 114 Ų | 114 | 142.4 Ų | 142.4 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | 58 | 119.2 | 145.4 | -61.2 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1153 | V | 30.3 | Very low | 25.8 | Very low | 131 Ų | 131 | 144.2 Ų | 144.2 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | -179.8 | 118.3 | 96.7 | 154.8 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 1154 | V | 25 | Very low | 26 | Very low | 121 Ų | 121 | 142.4 Ų | 142.4 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | trans | 65.6 | 144.9 | 153.6 | 170.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1155 | Y | 26.4 | Very low | 25.9 | Very low | 210 Ų | 210 | 144.2 Ų | 144.2 | 82% | 0.824 | 75% | 0.754 | S | S | * | * | trans | 76.1 | 117.7 | 173.2 | -85.7 | -64.6 | 0 | 0 | 0 | 121.6 | ||||
| 1156 | Q | 25.8 | Very low | 25.9 | Very low | 153 Ų | 153 | 146.3 Ų | 146.3 | 72% | 0.715 | 76% | 0.757 | S | S | * | * | trans | 71.3 | 102.2 | 138.5 | -149.7 | 143.2 | -19.1 | 0 | 0 | 122.1 | ||||
| 1157 | Q | 23.7 | Very low | 26.1 | Very low | 161 Ų | 161 | 146.3 Ų | 146.3 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | 65.1 | 91.1 | 127.2 | -169.3 | 177.7 | 21.9 | 0 | 0 | 119.9 | |||||
| 1158 | Q | 24.8 | Very low | 26.2 | Very low | 201 Ų | 201 | 147.6 Ų | 147.6 | 94% | 0.939 | 75% | 0.746 | S | S | * | * | trans | -153.4 | -178.8 | 138.2 | -119.3 | -179.3 | 29.4 | 0 | 0 | 113.3 | ||||
| 1159 | R | 23.9 | Very low | 26.3 | Very low | 219 Ų | 219 | 148.3 Ų | 148.3 | 83% | 0.826 | 74% | 0.741 | S | S | * | * | trans | -102.3 | 156.9 | -161.4 | -64.4 | -164.6 | -75.2 | -159.5 | -5.6 | 115 | ||||
| 1160 | Q | 22.9 | Very low | 26.2 | Very low | 130 Ų | 130 | 149.3 Ų | 149.3 | 61% | 0.607 | 74% | 0.738 | S | S | * | * | trans | 96 | 130.8 | 132.6 | -109.4 | 170.5 | -9.3 | 0 | 0 | 121.5 | ||||
| 1161 | Y | 22.7 | Very low | 26.4 | Very low | 182 Ų | 182 | 149.3 Ų | 149.3 | 71% | 0.714 | 74% | 0.735 | S | S | * | * | trans | 69 | 141.8 | 162.6 | -56.1 | -58.8 | 0 | 0 | 0 | 117.3 | ||||
| 1162 | N | 22.9 | Very low | 26.1 | Very low | 119 Ų | 119 | 150.4 Ų | 150.4 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | cis | -158.5 | 161.2 | -2 | -132.6 | -14.3 | 0 | 0 | 0 | 114.2 | ||||
| 1163 | N | 23.3 | Very low | 26.1 | Very low | 131 Ų | 131 | 150.5 Ų | 150.5 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | trans | 57.1 | 127.1 | 154 | -56.4 | -37.8 | 0 | 0 | 0 | 121.5 | ||||
| 1164 | V | 27.5 | Very low | 25.8 | Very low | 126 Ų | 126 | 147.3 Ų | 147.3 | 76% | 0.764 | 70% | 0.703 | S | S | * | * | 163.7 | 128.4 | 102.6 | 163.7 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1165 | R | 26 | Very low | 26 | Very low | 220 Ų | 220 | 145.7 Ų | 145.7 | 83% | 0.83 | 70% | 0.695 | S | S | * | * | trans | 59.7 | 121.6 | 167.4 | -74.7 | 171.7 | 168.6 | 158.2 | -2 | 117.9 | ||||
| 1166 | L | 25.4 | Very low | 25.9 | Very low | 134 Ų | 134 | 141.4 Ų | 141.4 | 70% | 0.702 | 68% | 0.682 | S | S | * | * | cis | 81.8 | 109.7 | 43.1 | -65.3 | 166.4 | 0 | 0 | 0 | 114.6 | ||||
| 1167 | N | 27.9 | Very low | 25.8 | Very low | 132 Ų | 132 | 141.3 Ų | 141.3 | 71% | 0.706 | 69% | 0.686 | S | S | * | * | -168.4 | 121.2 | 103.2 | -90.4 | -5.9 | 0 | 0 | 0 | 109 | |||||
| 1168 | H | 30.7 | Very low | 25.8 | Very low | 139 Ų | 139 | 144.4 Ų | 144.4 | 64% | 0.644 | 69% | 0.69 | S | S | * | * | 76.4 | 129.8 | 97.4 | -69.2 | 18.7 | 0 | 0 | 0 | 112.8 | |||||
| 1169 | N | 28.2 | Very low | 25.8 | Very low | 122 Ų | 122 | 139.3 Ų | 139.3 | 65% | 0.652 | 68% | 0.677 | S | S | * | * | cis | -140.2 | 144.4 | 7.5 | -88.1 | -25.8 | 0 | 0 | 0 | 109.2 | ||||
| 1170 | L | 27.4 | Very low | 25.8 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 64% | 0.639 | 67% | 0.674 | S | S | * | * | 59.1 | 126.2 | 75 | -74.1 | 159.1 | 0 | 0 | 0 | 111.2 | |||||
| 1171 | Q | 30.5 | Very low | 25.8 | Very low | 159 Ų | 159 | 136.6 Ų | 136.6 | 74% | 0.743 | 68% | 0.679 | S | S | * | * | cis | -157.9 | 176.6 | 27.7 | -102.3 | 148.8 | -18.5 | 0 | 0 | 110.6 | ||||
| 1172 | L | 27.7 | Very low | 25.9 | Very low | 132 Ų | 132 | 137.3 Ų | 137.3 | 69% | 0.691 | 69% | 0.686 | S | S | * | * | cis | -144.9 | 106.2 | -1.7 | -139 | 131.4 | 0 | 0 | 0 | 106.3 | ||||
| 1173 | I | 26.1 | Very low | 25.9 | Very low | 117 Ų | 117 | 135.6 Ų | 135.6 | 60% | 0.6 | 68% | 0.683 | S | S | * | * | 67.5 | 119.4 | 104 | -66.7 | 172.7 | 0 | 0 | 0 | 116 | |||||
| 1174 | N | 23.5 | Very low | 25.9 | Very low | 64 Ų | 64 | 137 Ų | 137 | 34% | 0.342 | 69% | 0.69 | S | S | . | * | -152 | 130.7 | 123.9 | -136.9 | -60.1 | 0 | 0 | 0 | 110.2 | L1279 L1280 | N1174-L1279 VanDerWaalsContact ND2-C 3.27Å; N1174-L1279 PolarHBondContact ND2-O 2.88Å; N1174-L1279 PolarHBondContact OD1-O 2.85Å; N1174-L1280 HydrophobicContact CB-CB 3.53Å; N1174-L1280 HydrophobicContact CB-CD1 4.19Å; N1174-L1280 HydrophobicContact CB-CD2 4.17Å; N1174-L1280 HydrophobicContact CB-CG 4.16Å; N1174-L1280 WeakPolarHBondContact OD1-CB 3.24Å; N1174-L1280 PolarHBondContact OD1-N 3.09Å | |||
| 1175 | P | 28.8 | Very low | 25.9 | Very low | 87 Ų | 87 | 135 Ų | 135 | 57% | 0.565 | 68% | 0.682 | S | S | * | * | trans | -116.8 | 159.5 | -161.7 | 40.7 | -30.8 | 0 | 0 | 0 | 116.3 | V1281 | P1175-V1281 VanDerWaalsContact O-CG2 3.29Å; P1175-V1281 WeakPolarHBondContact O-CG2 3.49Å | ||
| 1176 | H | 23.8 | Very low | 26 | Very low | 120 Ų | 120 | 132.4 Ų | 132.4 | 56% | 0.556 | 68% | 0.679 | S | S | * | * | trans | -91.8 | 147.9 | 165.5 | -98.3 | -78.9 | 0 | 0 | 0 | 112.6 | V1281 | H1176-V1281 WeakPolarHBondContact CE1-CG1 3.37Š| ||
| 1177 | L | 24.8 | Very low | 26.1 | Very low | 151 Ų | 151 | 132 Ų | 132 | 79% | 0.791 | 68% | 0.678 | S | S | * | * | trans | 38.7 | 115.3 | 143.5 | -63.6 | 169.2 | 0 | 0 | 0 | 120.2 | ||||
| 1178 | R | 23.3 | Very low | 26 | Very low | 225 Ų | 225 | 132.1 Ų | 132.1 | 85% | 0.849 | 68% | 0.679 | S | S | * | * | -167 | 148.5 | 114.8 | -113.6 | 175.8 | -173.8 | -107.3 | -2.5 | 113.8 | |||||
| 1179 | S | 24.7 | Very low | 26 | Very low | 94 Ų | 94 | 131.5 Ų | 131.5 | 66% | 0.657 | 69% | 0.685 | S | S | * | * | trans | -80.3 | 152.8 | 158.8 | 52.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1180 | F | 23.1 | Very low | 25.9 | Very low | 176 Ų | 176 | 132.3 Ų | 132.3 | 77% | 0.772 | 69% | 0.689 | S | S | * | * | -175.7 | 135.9 | 127.6 | -107 | -70.6 | 0 | 0 | 0 | 113.7 | |||||
| 1181 | V | 23.2 | Very low | 26.1 | Very low | 116 Ų | 116 | 134.4 Ų | 134.4 | 70% | 0.703 | 70% | 0.696 | S | S | * | * | trans | -18 | 127 | 165.8 | -179.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1182 | K | 24.5 | Very low | 25.8 | Very low | 198 Ų | 198 | 132.7 Ų | 132.7 | 86% | 0.861 | 70% | 0.696 | S | S | * | * | trans | -163.4 | 110.9 | 136.4 | -129.1 | 164.4 | -177 | 169.4 | 0 | 108.6 | ||||
| 1183 | S | 22.6 | Very low | 26 | Very low | 82 Ų | 82 | 133.6 Ų | 133.6 | 57% | 0.573 | 70% | 0.7 | S | S | * | * | cis | 72.4 | 122.6 | 45.6 | 84 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1184 | N | 24.5 | Very low | 26.1 | Very low | 160 Ų | 160 | 134.2 Ų | 134.2 | 86% | 0.856 | 71% | 0.705 | S | S | * | * | trans | 74.6 | 137.3 | 171.5 | -67.4 | 1.3 | 0 | 0 | 0 | 117.9 | ||||
| 1185 | S | 27.1 | Very low | 26.2 | Very low | 85 Ų | 85 | 138.7 Ų | 138.7 | 59% | 0.594 | 72% | 0.724 | S | S | * | * | cis | -160.6 | 172.3 | 3.5 | 54.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1186 | Q | 28.9 | Very low | 26 | Very low | 165 Ų | 165 | 140.3 Ų | 140.3 | 77% | 0.771 | 74% | 0.737 | S | S | * | * | trans | 80.5 | 135 | 161.2 | -64.5 | 158.7 | -24.1 | 0 | 0 | 116 | ||||
| 1187 | N | 27.9 | Very low | 26.2 | Very low | 126 Ų | 126 | 144.4 Ų | 144.4 | 67% | 0.674 | 75% | 0.747 | S | S | * | * | cis | -156.1 | 130.1 | 4 | -111.1 | -16.7 | 0 | 0 | 0 | 115 | ||||
| 1188 | N | 25 | Very low | 26.3 | Very low | 135 Ų | 135 | 142.3 Ų | 142.3 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | trans | 58.9 | 153.6 | 137.4 | -69 | -9.9 | 0 | 0 | 0 | 125.6 | ||||
| 1189 | T | 30.8 | Very low | 26.4 | Very low | 125 Ų | 125 | 136.2 Ų | 136.2 | 77% | 0.767 | 72% | 0.719 | S | S | * | * | trans | 76 | 140.3 | 162.7 | 60.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1190 | N | 26 | Very low | 26.7 | Very low | 139 Ų | 139 | 135.5 Ų | 135.5 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | cis | -169.4 | 164.3 | -26.5 | -113.9 | -2.5 | 0 | 0 | 0 | 110.8 | ||||
| 1191 | Q | 31.7 | Very low | 26.8 | Very low | 167 Ų | 167 | 132.9 Ų | 132.9 | 78% | 0.78 | 73% | 0.73 | S | S | * | * | trans | 68.5 | 136.6 | 171.9 | -63.8 | 164.8 | -2.1 | 0 | 0 | 115.2 | ||||
| 1192 | T | 24.3 | Very low | 27.2 | Very low | 123 Ų | 123 | 134.9 Ų | 134.9 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | cis | 75.4 | 113 | 15.5 | 79.3 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1193 | I | 31 | Very low | 27.3 | Very low | 150 Ų | 150 | 133 Ų | 133 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | trans | -173.9 | 131.4 | 137.2 | -96.3 | 152.6 | 0 | 0 | 0 | 109.9 | ||||
| 1194 | N | 29.1 | Very low | 27.6 | Very low | 130 Ų | 130 | 132.8 Ų | 132.8 | 70% | 0.695 | 75% | 0.745 | S | S | * | * | trans | 21.3 | 159 | 147.1 | -58.3 | 41.5 | 0 | 0 | 0 | 122.3 | ||||
| 1195 | E | 24.6 | Very low | 27.6 | Very low | 159 Ų | 159 | 132.1 Ų | 132.1 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | cis | 170.9 | 139.5 | -30.1 | -111.7 | 177.2 | -178.9 | 0 | 0 | 107.8 | ||||
| 1196 | S | 24.6 | Very low | 27.7 | Very low | 120 Ų | 120 | 131.4 Ų | 131.4 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | trans | 66.2 | 157.9 | 170 | 80 | 0 | 0 | 0 | 0 | 117 | ||||
| 1197 | R | 27.7 | Very low | 27.5 | Very low | 207 Ų | 207 | 136.1 Ų | 136.1 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | cis | -164.4 | 132 | 26.3 | -173.9 | -179.9 | 175.2 | -173.1 | -1.2 | 115 | ||||
| 1198 | M | 28.7 | Very low | 27.5 | Very low | 106 Ų | 106 | 138.8 Ų | 138.8 | 52% | 0.522 | 78% | 0.776 | S | S | . | * | trans | 54.6 | 132.4 | 148.4 | -65 | 170.4 | 161 | 0 | 0 | 124.6 | ||||
| 1199 | N | 24.8 | Very low | 27.7 | Very low | 98 Ų | 98 | 138.7 Ų | 138.7 | 52% | 0.524 | 78% | 0.781 | S | S | . | * | trans | 32.4 | 129.9 | 132.9 | -77.8 | -11.5 | 0 | 0 | 0 | 123 | I153 | I153-N1199 WeakPolarHBondContact CG2-OD1 3.09Š| ||
| 1200 | G | 30.2 | Very low | 27.7 | Very low | 79 Ų | 79 | 138.6 Ų | 138.6 | 81% | 0.814 | 78% | 0.782 | S | S | * | * | trans | -162.6 | 120.1 | 145.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1201 | S | 26.4 | Very low | 27.6 | Very low | 121 Ų | 121 | 139.7 Ų | 139.7 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | -92.7 | 137.1 | 168.7 | -173.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1202 | I | 31.7 | Very low | 27.6 | Very low | 158 Ų | 158 | 136.9 Ų | 136.9 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -162.9 | 147.6 | 162.2 | -105.1 | 152.1 | 0 | 0 | 0 | 108.6 | ||||
| 1203 | D | 25.8 | Very low | 27.8 | Very low | 159 Ų | 159 | 134.5 Ų | 134.5 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | trans | -72 | 154.7 | -175.8 | -43.7 | -96.5 | 0 | 0 | 0 | 113.2 | ||||
| 1204 | G | 28.7 | Very low | 27.6 | Very low | 77 Ų | 77 | 132 Ų | 132 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | -179 | 119 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1205 | C | 23.9 | Very low | 27.5 | Very low | 146 Ų | 146 | 129.9 Ų | 129.9 | 99% | 0.986 | 80% | 0.798 | S | S | * | * | trans | -72.5 | 141.5 | 175.8 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1206 | G | 30.4 | Very low | 27.6 | Very low | 69 Ų | 69 | 127.6 Ų | 127.6 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | trans | -178.2 | 87.6 | 174 | 0 | 0 | 0 | 0 | 0 | 113.6 | E1208 | G1206-E1208 PolarHBondContact O-N 3.34Š| ||
| 1207 | W | 24 | Very low | 27.8 | Very low | 264 Ų | 264 | 127.4 Ų | 127.4 | 100% | 1 | 80% | 0.798 | S | S | * | * | trans | -88.2 | 94.7 | 166.9 | -80.9 | 94.1 | 0 | 0 | 0 | 109.3 | ||||
| 1208 | E | 28.4 | Very low | 27.8 | Very low | 182 Ų | 182 | 122.1 Ų | 122.1 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | -109.5 | 127.6 | 171.7 | -70.6 | -165.5 | 134.5 | 0 | 0 | 111.9 | G1206 | G1206-E1208 PolarHBondContact O-N 3.34Š| ||
| 1209 | T | 28.2 | Very low | 27.8 | Very low | 134 Ų | 134 | 123.4 Ų | 123.4 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | -69.3 | 125 | 171.5 | 27.1 | 0 | 0 | 0 | 0 | 111.4 | D1211 | T1209-D1211 VanDerWaalsContact C-N 3.32Å; T1209-D1211 PolarHBondContact O-N 3.28Å | ||
| 1210 | P | 31.8 | Very low | 28 | Very low | 122 Ų | 122 | 125.3 Ų | 125.3 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | trans | -82.8 | 73.1 | 173.8 | 34.4 | -35 | 0 | 0 | 0 | 111.3 | S1212 | P1210-S1212 PolarHBondContact O-N 2.84Š| ||
| 1211 | D | 23.8 | Very low | 27.8 | Very low | 162 Ų | 162 | 128.4 Ų | 128.4 | 87% | 0.866 | 80% | 0.803 | S | S | * | * | trans | -87.8 | 83.3 | 165.7 | -157.3 | 3.8 | 0 | 0 | 0 | 109.3 | T1209 | T1209-D1211 VanDerWaalsContact C-N 3.32Å; T1209-D1211 PolarHBondContact O-N 3.28Å | ||
| 1212 | S | 32.2 | Very low | 27.9 | Very low | 109 Ų | 109 | 129.4 Ų | 129.4 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | trans | -92.7 | 103.8 | -173.5 | -73.3 | 0 | 0 | 0 | 0 | 112 | P1210 | P1210-S1212 PolarHBondContact O-N 2.84Š| ||
| 1213 | G | 26.8 | Very low | 27.8 | Very low | 72 Ų | 72 | 126.5 Ų | 126.5 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 163.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 1214 | A | 28.7 | Very low | 28 | Very low | 99 Ų | 99 | 123.3 Ų | 123.3 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 126.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 1215 | G | 26.6 | Very low | 28 | Very low | 85 Ų | 85 | 127.7 Ų | 127.7 | 88% | 0.876 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 117.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 1216 | S | 25.4 | Very low | 28.2 | Very low | 110 Ų | 110 | 127.8 Ų | 127.8 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | trans | -113.6 | 141 | 177.6 | -62.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 1217 | S | 28.8 | Very low | 28.1 | Very low | 116 Ų | 116 | 131.2 Ų | 131.2 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | trans | -169.8 | 149.4 | 164.7 | 29.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1218 | S | 27.6 | Very low | 28.1 | Very low | 96 Ų | 96 | 125.8 Ų | 125.8 | 67% | 0.671 | 75% | 0.751 | S | S | * | * | cis | -171 | 168.2 | -16.5 | 53.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1219 | I | 29.1 | Very low | 28 | Very low | 134 Ų | 134 | 124.2 Ų | 124.2 | 69% | 0.687 | 74% | 0.743 | S | S | * | * | trans | 67.6 | 107.4 | 139.2 | -76.6 | 161.7 | 0 | 0 | 0 | 120.2 | ||||
| 1220 | N | 29.1 | Very low | 27.9 | Very low | 138 Ų | 138 | 124 Ų | 124 | 74% | 0.738 | 73% | 0.733 | S | S | * | * | 177.9 | 144.8 | 106.5 | -103.5 | -13.2 | 0 | 0 | 0 | 110.8 | |||||
| 1221 | E | 26.7 | Very low | 27.6 | Very low | 143 Ų | 143 | 125.1 Ų | 125.1 | 67% | 0.668 | 73% | 0.727 | S | S | * | * | cis | -168.1 | 165.2 | -29 | -137.5 | -170 | -172.7 | 0 | 0 | 109.7 | ||||
| 1222 | L | 29 | Very low | 27.7 | Very low | 142 Ų | 142 | 126.5 Ų | 126.5 | 74% | 0.743 | 72% | 0.721 | S | S | * | * | trans | 64.8 | 142.8 | 157.6 | -61 | 162.7 | 0 | 0 | 0 | 119.8 | ||||
| 1223 | S | 28.7 | Very low | 27.3 | Very low | 97 Ų | 97 | 128.2 Ų | 128.2 | 68% | 0.678 | 72% | 0.716 | S | S | * | * | cis | -165.4 | 160.7 | -26.3 | -139.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1224 | S | 30.2 | Very low | 27.2 | Very low | 93 Ų | 93 | 132.7 Ų | 132.7 | 65% | 0.65 | 72% | 0.718 | S | S | * | * | trans | 57.6 | 108.8 | 149 | 65.2 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1225 | H | 29.3 | Very low | 27.2 | Very low | 168 Ų | 168 | 133.7 Ų | 133.7 | 78% | 0.778 | 72% | 0.719 | S | S | * | * | 91.9 | 105 | 115.8 | -76.8 | 35.7 | 0 | 0 | 0 | 123.5 | |||||
| 1226 | Q | 27.8 | Very low | 27.2 | Very low | 149 Ų | 149 | 132.5 Ų | 132.5 | 70% | 0.696 | 71% | 0.707 | S | S | * | * | 95.9 | 110.4 | 103.9 | -154.6 | 172.7 | 6.3 | 0 | 0 | 122.5 | |||||
| 1227 | H | 27.7 | Very low | 27.4 | Very low | 140 Ų | 140 | 137.3 Ų | 137.3 | 65% | 0.648 | 71% | 0.709 | S | S | * | * | trans | 80.3 | 109.3 | 142.9 | -82.7 | 46.7 | 0 | 0 | 0 | 124.5 | ||||
| 1228 | Q | 24.6 | Very low | 27.2 | Very low | 150 Ų | 150 | 138.6 Ų | 138.6 | 70% | 0.701 | 71% | 0.707 | S | S | * | * | 65.9 | 124.5 | 119.5 | -68.2 | -170.9 | -9.8 | 0 | 0 | 124.1 | |||||
| 1229 | H | 26 | Very low | 27.3 | Very low | 149 Ų | 149 | 141.4 Ų | 141.4 | 69% | 0.69 | 71% | 0.713 | S | S | * | * | trans | 90.4 | 107.3 | 131.1 | -89.5 | -135.6 | 0 | 0 | 0 | 123.4 | ||||
| 1230 | H | 27.2 | Very low | 27.2 | Very low | 130 Ų | 130 | 141.8 Ų | 141.8 | 60% | 0.602 | 72% | 0.717 | S | S | * | * | 94.7 | 103.9 | 123.2 | -91.6 | 66.3 | 0 | 0 | 0 | 122.9 | |||||
| 1231 | Q | 25 | Very low | 27.2 | Very low | 145 Ų | 145 | 141.2 Ų | 141.2 | 68% | 0.678 | 72% | 0.72 | S | S | * | * | 80.1 | 114.7 | 124 | -86 | -165 | 37.3 | 0 | 0 | 123.6 | |||||
| 1232 | R | 24.8 | Very low | 27.2 | Very low | 192 Ų | 192 | 139.5 Ų | 139.5 | 73% | 0.725 | 72% | 0.724 | S | S | * | * | 85.1 | 111.3 | 120.3 | -142.6 | -163.3 | -148.8 | -123.4 | 8.1 | 119.3 | |||||
| 1233 | Q | 25.2 | Very low | 27.1 | Very low | 144 Ų | 144 | 140 Ų | 140 | 67% | 0.673 | 73% | 0.727 | S | S | * | * | 170.6 | 121.4 | 100.7 | -88.4 | -171.9 | 83 | 0 | 0 | 116.8 | |||||
| 1234 | Q | 24.3 | Very low | 27 | Very low | 166 Ų | 166 | 144.3 Ų | 144.3 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | trans | 62.4 | 154.3 | 131.6 | -60.7 | -167.7 | 0.5 | 0 | 0 | 125.6 | ||||
| 1235 | S | 28.2 | Very low | 26.7 | Very low | 120 Ų | 120 | 148 Ų | 148 | 84% | 0.839 | 75% | 0.746 | S | S | * | * | trans | 81.5 | 131 | 169.5 | -151.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1236 | G | 26 | Very low | 26.6 | Very low | 60 Ų | 60 | 145.2 Ų | 145.2 | 62% | 0.619 | 75% | 0.745 | S | S | * | * | cis | 177 | 170.2 | -5.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1237 | Y | 29.4 | Very low | 26.4 | Very low | 211 Ų | 211 | 143.5 Ų | 143.5 | 83% | 0.827 | 75% | 0.749 | S | S | * | * | trans | 87.8 | 103.1 | 168.1 | -60.7 | -76.6 | 0 | 0 | 0 | 122.6 | ||||
| 1238 | L | 26.1 | Very low | 26.3 | Very low | 144 Ų | 144 | 142.8 Ų | 142.8 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | 56.6 | 113.1 | 126.7 | -64.9 | 175.4 | 0 | 0 | 0 | 122.7 | |||||
| 1239 | L | 29.9 | Very low | 26.2 | Very low | 154 Ų | 154 | 142.3 Ų | 142.3 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | -172.6 | 169.6 | 90.5 | -108.1 | 158.8 | 0 | 0 | 0 | 113.4 | |||||
| 1240 | N | 26 | Very low | 26 | Very low | 142 Ų | 142 | 140.2 Ų | 140.2 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | trans | -73.4 | 149.2 | -160.4 | -60.9 | -30.2 | 0 | 0 | 0 | 116.8 | ||||
| 1241 | P | 28.2 | Very low | 26 | Very low | 126 Ų | 126 | 140.1 Ų | 140.1 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -90.3 | 157.7 | 155 | 37.3 | -32.4 | 0 | 0 | 0 | 112.2 | ||||
| 1242 | S | 28.4 | Very low | 26 | Very low | 107 Ų | 107 | 140.1 Ų | 140.1 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | -143.2 | 121.1 | 176.2 | 60.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 1243 | L | 25.9 | Very low | 26 | Very low | 153 Ų | 153 | 138.7 Ų | 138.7 | 80% | 0.801 | 79% | 0.793 | S | S | * | * | trans | 45.8 | 112.9 | 146.3 | -52.6 | 173.3 | 0 | 0 | 0 | 118.6 | ||||
| 1244 | F | 27.9 | Very low | 26 | Very low | 187 Ų | 187 | 141.1 Ų | 141.1 | 82% | 0.82 | 80% | 0.802 | S | S | * | * | -166.5 | 136 | 82.9 | -112.5 | -80.8 | 0 | 0 | 0 | 113 | |||||
| 1245 | L | 23.1 | Very low | 26 | Very low | 172 Ų | 172 | 136.7 Ų | 136.7 | 90% | 0.901 | 80% | 0.801 | S | S | * | * | trans | -111.9 | 130.9 | 159 | -92.6 | 160.8 | 0 | 0 | 0 | 106.9 | ||||
| 1246 | S | 27.7 | Very low | 25.8 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | trans | -144.5 | 109.6 | 162.5 | 63.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1247 | S | 22 | Very low | 25.7 | Very low | 112 Ų | 112 | 142 Ų | 142 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | trans | -78.7 | 149.9 | 167.8 | 50.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1248 | S | 26.7 | Very low | 25.7 | Very low | 125 Ų | 125 | 140.9 Ų | 140.9 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | trans | -154.9 | 106.3 | 160.7 | -83.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1249 | T | 22.7 | Very low | 25.6 | Very low | 140 Ų | 140 | 142 Ų | 142 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | trans | -98.5 | 107.5 | 173 | 37.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1250 | S | 22.2 | Very low | 25.4 | Very low | 105 Ų | 105 | 139.4 Ų | 139.4 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | 173.6 | 120.2 | 145.9 | 51.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1251 | S | 26.5 | Very low | 25.5 | Very low | 129 Ų | 129 | 143.3 Ų | 143.3 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | trans | -169.7 | 139 | 135.1 | -95.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1252 | L | 25.1 | Very low | 25.5 | Very low | 145 Ų | 145 | 140.3 Ų | 140.3 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | trans | -105.9 | 109.6 | 173.4 | -78.7 | 161.9 | 0 | 0 | 0 | 108 | L1639 | L1252-L1639 HydrophobicContact CD1-CD1 3.83Š| ||
| 1253 | L | 25.2 | Very low | 25.5 | Very low | 161 Ų | 161 | 139.7 Ų | 139.7 | 84% | 0.843 | 76% | 0.76 | S | S | * | * | trans | -171.8 | 144.7 | 146.9 | -126.7 | 63.8 | 0 | 0 | 0 | 111.6 | ||||
| 1254 | F | 25.3 | Very low | 25.5 | Very low | 195 Ų | 195 | 139 Ų | 139 | 86% | 0.855 | 76% | 0.756 | S | S | * | * | trans | 14.1 | 136.5 | 158.2 | -87.4 | -101.3 | 0 | 0 | 0 | 121.9 | ||||
| 1255 | G | 23.3 | Very low | 25.5 | Very low | 73 Ų | 73 | 134.5 Ų | 134.5 | 75% | 0.753 | 74% | 0.739 | S | S | * | * | trans | 130.8 | 130 | 138.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1256 | H | 23.7 | Very low | 25.7 | Very low | 108 Ų | 108 | 131.4 Ų | 131.4 | 50% | 0.5 | 72% | 0.72 | S | S | . | * | trans | -68.5 | 138 | 154.8 | -71.3 | -126.6 | 0 | 0 | 0 | 108.6 | ||||
| 1257 | Y | 25.5 | Very low | 25.7 | Very low | 183 Ų | 183 | 131.3 Ų | 131.3 | 72% | 0.718 | 71% | 0.711 | S | S | * | * | 172.7 | 157.1 | 116.4 | -108.5 | -85.6 | 0 | 0 | 0 | 112.4 | |||||
| 1258 | Y | 27.9 | Very low | 26 | Very low | 188 Ų | 188 | 132.1 Ų | 132.1 | 74% | 0.737 | 71% | 0.706 | S | S | * | * | trans | 63.6 | 124.2 | 167.7 | -66.8 | -67.8 | 0 | 0 | 0 | 121.2 | ||||
| 1259 | Q | 25 | Very low | 26 | Very low | 167 Ų | 167 | 131.6 Ų | 131.6 | 78% | 0.78 | 70% | 0.698 | S | S | * | * | trans | -126.8 | 153.6 | 155.1 | 179.9 | 67.2 | 17.9 | 0 | 0 | 106.7 | ||||
| 1260 | T | 25.6 | Very low | 26.3 | Very low | 100 Ų | 100 | 130.1 Ų | 130.1 | 61% | 0.613 | 69% | 0.689 | S | S | * | * | trans | 64.1 | 139.5 | 177.8 | 36 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1261 | Y | 27.7 | Very low | 26.6 | Very low | 225 Ų | 225 | 132.5 Ų | 132.5 | 88% | 0.882 | 69% | 0.689 | S | S | * | * | cis | -124.6 | 177.3 | 5.8 | -78.4 | -93.8 | 0 | 0 | 0 | 110.8 | ||||
| 1262 | G | 27.4 | Very low | 26.7 | Very low | 62 Ų | 62 | 135.5 Ų | 135.5 | 64% | 0.639 | 69% | 0.685 | S | S | * | * | cis | -149.8 | -139.9 | 1.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1263 | E | 28.4 | Very low | 26.8 | Very low | 95 Ų | 95 | 132 Ų | 132 | 44% | 0.444 | 69% | 0.685 | S | S | . | * | cis | -159.4 | 103.7 | -11 | -150.7 | -68.8 | 137.6 | 0 | 0 | 111.2 | ||||
| 1264 | I | 26.8 | Very low | 27 | Very low | 139 Ų | 139 | 131.5 Ų | 131.5 | 71% | 0.713 | 68% | 0.683 | S | S | * | * | trans | 36 | 176.2 | 134 | -29.5 | -177.3 | 0 | 0 | 0 | 121.6 | ||||
| 1265 | I | 28 | Very low | 27.1 | Very low | 91 Ų | 91 | 129.4 Ų | 129.4 | 47% | 0.467 | 68% | 0.68 | S | S | . | * | trans | 86.9 | 125.6 | 157.1 | -68.5 | -174.3 | 0 | 0 | 0 | 116 | ||||
| 1266 | Q | 28 | Very low | 27.6 | Very low | 108 Ų | 108 | 131.3 Ų | 131.3 | 51% | 0.505 | 68% | 0.679 | S | S | . | * | cis | -161.3 | 175.6 | 3.5 | -124.9 | -172.8 | 23 | 0 | 0 | 110.4 | R816 | R816-Q1266 VanDerWaalsContact CZ-OE1 3.25Š| ||
| 1267 | N | 27.5 | Very low | 27.8 | Very low | 106 Ų | 106 | 133.2 Ų | 133.2 | 57% | 0.567 | 69% | 0.692 | S | S | * | * | cis | -154.7 | -167.4 | 3.8 | -162.6 | 46.3 | 0 | 0 | 0 | 110.6 | ||||
| 1268 | N | 27.4 | Very low | 28 | Very low | 129 Ų | 129 | 129.9 Ų | 129.9 | 69% | 0.69 | 69% | 0.687 | S | S | * | * | trans | 88.1 | 138.5 | 158.4 | -57.9 | -17.7 | 0 | 0 | 0 | 115.9 | ||||
| 1269 | T | 27.4 | Very low | 27.8 | Very low | 115 Ų | 115 | 127.4 Ų | 127.4 | 71% | 0.706 | 69% | 0.686 | S | S | * | * | cis | -163 | 162.2 | -16.1 | 20.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1270 | T | 28.7 | Very low | 27.8 | Very low | 109 Ų | 109 | 124.6 Ų | 124.6 | 67% | 0.669 | 68% | 0.675 | S | S | * | * | cis | -152.4 | 159.7 | 15.2 | -17.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1271 | H | 27.9 | Very low | 28 | Very low | 155 Ų | 155 | 122.7 Ų | 122.7 | 72% | 0.718 | 66% | 0.664 | S | S | * | * | trans | 54.1 | 118.1 | 149.4 | -82.2 | -38.5 | 0 | 0 | 0 | 123.6 | ||||
| 1272 | K | 28.4 | Very low | 27.9 | Very low | 192 Ų | 192 | 116.4 Ų | 116.4 | 84% | 0.835 | 65% | 0.648 | S | S | * | * | trans | 73.8 | 123.2 | 140.2 | -60.4 | 174.2 | -177.3 | 179.7 | 0 | 117.7 | ||||
| 1273 | G | 28 | Very low | 27.7 | Very low | 72 Ų | 72 | 120.2 Ų | 120.2 | 74% | 0.742 | 65% | 0.654 | S | S | * | * | cis | 169.3 | 174.1 | -8.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1274 | N | 29.2 | Very low | 27.5 | Very low | 150 Ų | 150 | 122.4 Ų | 122.4 | 80% | 0.802 | 67% | 0.674 | S | S | * | * | trans | 74.8 | 86.9 | 162.2 | -62.1 | 7 | 0 | 0 | 0 | 120.9 | ||||
| 1275 | N | 28.3 | Very low | 27.5 | Very low | 151 Ų | 151 | 123.3 Ų | 123.3 | 81% | 0.807 | 68% | 0.68 | S | S | * | * | 88.1 | 143.4 | 123.5 | -60.7 | -3.2 | 0 | 0 | 0 | 122.2 | |||||
| 1276 | P | 33.6 | Very low | 27.3 | Very low | 113 Ų | 113 | 125 Ų | 125 | 73% | 0.734 | 69% | 0.689 | S | S | * | * | trans | -119.6 | -176.4 | -179.3 | 45 | -34 | 0 | 0 | 0 | 114.3 | ||||
| 1277 | L | 27.8 | Very low | 27 | Very low | 147 Ų | 147 | 126.2 Ų | 126.2 | 77% | 0.77 | 70% | 0.699 | S | S | * | * | 177.6 | 150.1 | 127.5 | -96.2 | 162.4 | 0 | 0 | 0 | 113.5 | |||||
| 1278 | D | 28.7 | Very low | 26.9 | Very low | 114 Ų | 114 | 128.1 Ų | 128.1 | 61% | 0.61 | 71% | 0.709 | S | S | * | * | trans | 48.4 | 131.3 | 159.9 | -56.1 | -23.6 | 0 | 0 | 0 | 121 | ||||
| 1279 | L | 24.4 | Very low | 26.8 | Very low | 135 Ų | 135 | 129.8 Ų | 129.8 | 71% | 0.707 | 72% | 0.717 | S | S | * | * | 54.6 | 134.1 | 71.1 | -89.5 | 67.7 | 0 | 0 | 0 | 112.7 | N1174 | N1174-L1279 VanDerWaalsContact ND2-C 3.27Å; N1174-L1279 PolarHBondContact ND2-O 2.88Å; N1174-L1279 PolarHBondContact OD1-O 2.85Å | |||
| 1280 | L | 25 | Very low | 26.8 | Very low | 108 Ų | 108 | 128.7 Ų | 128.7 | 57% | 0.565 | 71% | 0.712 | S | S | * | * | cis | -147.3 | -152 | 19.1 | -166.8 | 113.8 | 0 | 0 | 0 | 111.1 | N1174 | N1174-L1280 HydrophobicContact CB-CB 3.53Å; N1174-L1280 HydrophobicContact CB-CD1 4.19Å; N1174-L1280 HydrophobicContact CB-CD2 4.17Å; N1174-L1280 HydrophobicContact CB-CG 4.16Å; N1174-L1280 WeakPolarHBondContact OD1-CB 3.24Å; N1174-L1280 PolarHBondContact OD1-N 3.09Å | ||
| 1281 | V | 30.4 | Very low | 26.7 | Very low | 61 Ų | 61 | 129.3 Ų | 129.3 | 37% | 0.37 | 72% | 0.718 | S | S | . | * | trans | 91 | 77.7 | 170.7 | -169.2 | 0 | 0 | 0 | 0 | 117.1 | P1175 H1176 | P1175-V1281 VanDerWaalsContact O-CG2 3.29Å; P1175-V1281 WeakPolarHBondContact O-CG2 3.49Å; H1176-V1281 WeakPolarHBondContact CE1-CG1 3.37Å | ||
| 1282 | V | 24.1 | Very low | 26.7 | Very low | 92 Ų | 92 | 128.7 Ų | 128.7 | 56% | 0.558 | 72% | 0.719 | S | S | * | * | -0.2 | 130.1 | 129.2 | 176.8 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 1283 | N | 23.5 | Very low | 26.5 | Very low | 143 Ų | 143 | 131.8 Ų | 131.8 | 77% | 0.765 | 73% | 0.726 | S | S | * | * | trans | 58.5 | 84.8 | 160.4 | -61.5 | -12.5 | 0 | 0 | 0 | 118 | ||||
| 1284 | T | 23.9 | Very low | 26.4 | Very low | 141 Ų | 141 | 133.6 Ų | 133.6 | 87% | 0.865 | 72% | 0.722 | S | S | * | * | trans | -175.8 | 62.1 | 136.5 | 19.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1285 | L | 27 | Very low | 26.2 | Very low | 157 Ų | 157 | 134 Ų | 134 | 82% | 0.822 | 72% | 0.724 | S | S | * | * | trans | -162.7 | 101.5 | 156 | -143.2 | 80.8 | 0 | 0 | 0 | 110.2 | ||||
| 1286 | L | 24.4 | Very low | 26.1 | Very low | 127 Ų | 127 | 136.6 Ų | 136.6 | 67% | 0.665 | 73% | 0.728 | S | S | * | * | trans | -161.9 | 23.9 | 179 | -124.7 | 174.1 | 0 | 0 | 0 | 114.1 | F1118 | F1118-L1286 HydrophobicContact CE2-CB 3.6Å; F1118-L1286 HydrophobicContact CE2-CD1 3.93Å; F1118-L1286 HydrophobicContact CE2-CD2 4.22Å; F1118-L1286 HydrophobicContact CE2-CG 4.1Å; F1118-L1286 HydrophobicContact CZ-CB 3.56Å; F1118-L1286 HydrophobicContact CZ-CD1 3.93Å; F1118-L1286 HydrophobicContact CZ-CG 4.29Å | ||
| 1287 | D | 21.8 | Very low | 25.7 | Very low | 133 Ų | 133 | 137.9 Ų | 137.9 | 71% | 0.711 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -117.1 | 141.7 | 150.2 | -87.4 | -55.6 | 0 | 0 | 0 | 106.5 | ||
| 1288 | N | 24 | Very low | 25.6 | Very low | 147 Ų | 147 | 140.2 Ų | 140.2 | 79% | 0.786 | 74% | 0.738 | S | S | * | * | trans | 69.2 | 99.4 | -170.7 | -44.6 | -76.9 | 0 | 0 | 0 | 115.7 | ||||
| 1289 | L | 26.6 | Very low | 25.6 | Very low | 163 Ų | 163 | 141.1 Ų | 141.1 | 85% | 0.853 | 75% | 0.748 | S | S | * | * | -162.8 | 157.8 | 125.7 | -121.4 | 78.8 | 0 | 0 | 0 | 109.1 | |||||
| 1290 | P | 27.3 | Very low | 25.7 | Very low | 92 Ų | 92 | 139.4 Ų | 139.4 | 60% | 0.597 | 75% | 0.747 | S | S | * | * | trans | -90 | 168.6 | -163.4 | 36.2 | -36.5 | 0 | 0 | 0 | 114.8 | L1292 | P1290-L1292 PolarHBondContact O-N 3.01Š| ||
| 1291 | P | 26.6 | Very low | 25.8 | Very low | 123 Ų | 123 | 140.4 Ų | 140.4 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | trans | -69.6 | 96.1 | 177.1 | 29 | -36.3 | 0 | 0 | 0 | 112.8 | W1293 | P1291-W1293 PolarHBondContact O-N 3.41Š| ||
| 1292 | L | 28.6 | Very low | 25.6 | Very low | 141 Ų | 141 | 141.8 Ų | 141.8 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | trans | -78 | 83.5 | 174.6 | -83.4 | 168.3 | 0 | 0 | 0 | 112.7 | P1290 | P1290-L1292 PolarHBondContact O-N 3.01Š| ||
| 1293 | W | 23.5 | Very low | 25.9 | Very low | 258 Ų | 258 | 145.8 Ų | 145.8 | 98% | 0.977 | 78% | 0.78 | S | S | * | * | trans | -106.6 | 63.1 | 155.4 | -95.2 | 68.7 | 0 | 0 | 0 | 109.3 | P1291 | P1291-W1293 PolarHBondContact O-N 3.41Š| ||
| 1294 | T | 24.7 | Very low | 26 | Very low | 109 Ų | 109 | 148 Ų | 148 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | trans | -151 | 52.2 | -172.7 | -29.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1295 | L | 26 | Very low | 26.3 | Very low | 158 Ų | 158 | 149.7 Ų | 149.7 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | trans | -154 | 63.3 | 160.9 | -147 | 80.7 | 0 | 0 | 0 | 115.2 | ||||
| 1296 | F | 25.7 | Very low | 26.3 | Very low | 207 Ų | 207 | 145.9 Ų | 145.9 | 91% | 0.908 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -138.9 | 23.5 | 164.5 | -125 | -77.3 | 0 | 0 | 0 | 115.7 | ||
| 1297 | T | 25.7 | Very low | 26.5 | Very low | 140 Ų | 140 | 146.6 Ų | 146.6 | 86% | 0.859 | 77% | 0.768 | S | S | * | * | trans | -139.2 | 95.8 | 174.3 | 39.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1298 | K | 25.9 | Very low | 26.7 | Very low | 196 Ų | 196 | 147.7 Ų | 147.7 | 85% | 0.852 | 77% | 0.774 | S | S | * | * | trans | -147.3 | 51.8 | 172.6 | -138.5 | 171.7 | -171.7 | 175.6 | 0 | 116.9 | ||||
| 1299 | T | 27.5 | Very low | 27 | Very low | 132 Ų | 132 | 148.6 Ų | 148.6 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | -143.5 | 120.9 | 148.4 | 47.7 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1300 | S | 27.5 | Very low | 27 | Very low | 100 Ų | 100 | 145.4 Ų | 145.4 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | cis | -150.1 | 145.9 | 15.1 | -58.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1301 | T | 26.7 | Very low | 27 | Very low | 128 Ų | 128 | 146.4 Ų | 146.4 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | 11.1 | 148.8 | 134.1 | 63.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1302 | S | 26.5 | Very low | 27.2 | Very low | 90 Ų | 90 | 147.3 Ų | 147.3 | 63% | 0.629 | 78% | 0.777 | S | S | * | * | cis | -179.3 | 151.3 | 1.8 | 39.6 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1303 | F | 29.8 | Very low | 27.3 | Very low | 176 Ų | 176 | 145.2 Ų | 145.2 | 77% | 0.772 | 77% | 0.774 | S | S | * | * | -155.6 | 162.5 | 61.9 | -92.5 | -105.5 | 0 | 0 | 0 | 107.9 | |||||
| 1304 | Y | 27.2 | Very low | 27.5 | Very low | 189 Ų | 189 | 138 Ų | 138 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | 32.2 | 140.1 | 89.8 | -70.8 | -89.6 | 0 | 0 | 0 | 114.9 | |||||
| 1305 | E | 30 | Very low | 27.8 | Very low | 178 Ų | 178 | 140 Ų | 140 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | cis | -99.7 | 173.3 | 21.7 | -124.9 | 73.7 | 170 | 0 | 0 | 115.9 | ||||
| 1306 | S | 26.8 | Very low | 27.7 | Very low | 76 Ų | 76 | 139.9 Ų | 139.9 | 53% | 0.531 | 77% | 0.769 | S | S | . | * | trans | -118.2 | 173.8 | 170.3 | -59.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1307 | D | 27.6 | Very low | 28.1 | Very low | 142 Ų | 142 | 136 Ų | 136 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | trans | 78 | 121.1 | 150.6 | -56.9 | -29.2 | 0 | 0 | 0 | 120.7 | ||||
| 1308 | L | 27.3 | Very low | 28.3 | Very low | 157 Ų | 157 | 132.7 Ų | 132.7 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | trans | 62.3 | 109.3 | 138.4 | -56.2 | 169.6 | 0 | 0 | 0 | 119.1 | ||||
| 1309 | D | 29.2 | Very low | 28.4 | Very low | 165 Ų | 165 | 131.4 Ų | 131.4 | 88% | 0.882 | 76% | 0.761 | S | S | * | * | -152.2 | 164.3 | 91.3 | -119 | -24.2 | 0 | 0 | 0 | 112.1 | |||||
| 1310 | S | 27.8 | Very low | 28.4 | Very low | 96 Ų | 96 | 135 Ų | 135 | 67% | 0.671 | 77% | 0.766 | S | S | * | * | trans | -107.8 | 147.6 | -170.5 | 57.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1311 | S | 27.3 | Very low | 28.4 | Very low | 114 Ų | 114 | 137.5 Ų | 137.5 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | trans | 69.4 | 160 | 169 | -50.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1312 | D | 30.3 | Very low | 28.4 | Very low | 142 Ų | 142 | 139 Ų | 139 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | cis | -147.1 | 168.1 | 13.4 | -155.7 | -4.9 | 0 | 0 | 0 | 112.7 | ||||
| 1313 | S | 30.6 | Very low | 28.4 | Very low | 97 Ų | 97 | 140.5 Ų | 140.5 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | trans | 39.4 | 120.9 | 156.6 | 68 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1314 | S | 27.7 | Very low | 28.4 | Very low | 107 Ų | 107 | 137.1 Ų | 137.1 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | trans | -60.3 | 141.9 | 151.5 | 49.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1315 | D | 30.1 | Very low | 28.4 | Very low | 151 Ų | 151 | 134.5 Ų | 134.5 | 81% | 0.807 | 76% | 0.763 | S | S | * | * | -165.4 | 176 | 105.2 | -123.1 | -40 | 0 | 0 | 0 | 115.6 | |||||
| 1316 | L | 25.7 | Very low | 28.5 | Very low | 155 Ų | 155 | 134.1 Ų | 134.1 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | trans | -81.8 | 171.6 | -169.1 | -81.4 | 165.2 | 0 | 0 | 0 | 115.4 | ||||
| 1317 | P | 34.2 | Very low | 28.7 | Very low | 124 Ų | 124 | 134.8 Ų | 134.8 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | trans | -104.3 | 163.4 | -142 | 39.7 | -38.7 | 0 | 0 | 0 | 117.1 | ||||
| 1318 | G | 28.6 | Very low | 29.1 | Very low | 72 Ų | 72 | 136.9 Ų | 136.9 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | trans | -158.8 | 125.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1319 | N | 27.5 | Very low | 29.4 | Very low | 168 Ų | 168 | 137.4 Ų | 137.4 | 90% | 0.898 | 77% | 0.77 | S | S | * | * | trans | -67.1 | 138 | 178 | -86.4 | -45.7 | 0 | 0 | 0 | 112.2 | ||||
| 1320 | F | 27.6 | Very low | 29.5 | Very low | 207 Ų | 207 | 135 Ų | 135 | 91% | 0.908 | 76% | 0.761 | S | S | * | * | trans | -128.7 | 131.5 | 156.2 | -102.8 | -82.1 | 0 | 0 | 0 | 113.3 | ||||
| 1321 | M | 28.1 | Very low | 29.7 | Very low | 154 Ų | 154 | 137 Ų | 137 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | trans | -59.1 | 160.4 | 158.5 | -69 | -165.8 | -173.5 | 0 | 0 | 110.7 | ||||
| 1322 | K | 27 | Very low | 29.8 | Very low | 159 Ų | 159 | 140.3 Ų | 140.3 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | cis | -176.3 | 164.2 | -7.6 | -109.3 | 179.1 | 176.8 | 177.5 | 0 | 107.1 | ||||
| 1323 | T | 26.9 | Very low | 29.8 | Very low | 121 Ų | 121 | 138.1 Ų | 138.1 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | trans | 64 | 160.5 | 147.7 | 48.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1324 | T | 29.8 | Very low | 29.8 | Very low | 106 Ų | 106 | 142.2 Ų | 142.2 | 65% | 0.65 | 78% | 0.776 | S | S | * | * | cis | -157.5 | 148.2 | -1.1 | 7.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1325 | D | 27.4 | Very low | 30.4 | Very low | 134 Ų | 134 | 141.6 Ų | 141.6 | 72% | 0.717 | 77% | 0.769 | S | S | * | * | trans | 47 | 139.1 | 131.7 | -56.4 | 1.4 | 0 | 0 | 0 | 126.2 | ||||
| 1326 | L | 31.6 | Very low | 30.4 | Very low | 169 Ų | 169 | 142.8 Ų | 142.8 | 89% | 0.885 | 77% | 0.77 | S | S | * | * | -139.4 | 102.1 | 128.8 | -86.2 | 108 | 0 | 0 | 0 | 108.6 | |||||
| 1327 | S | 30.4 | Very low | 30.6 | Very low | 91 Ų | 91 | 143.1 Ų | 143.1 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | 90.4 | 128.8 | 59.8 | 76.1 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 1328 | K | 36.9 | Very low | 30.5 | Very low | 186 Ų | 186 | 145.2 Ų | 145.2 | 81% | 0.809 | 77% | 0.766 | S | S | * | * | trans | 179.6 | 113.8 | 146.7 | -103.5 | 173.6 | -176.5 | 175.6 | 0 | 112.8 | ||||
| 1329 | H | 32.2 | Very low | 30.3 | Very low | 168 Ų | 168 | 148.5 Ų | 148.5 | 78% | 0.778 | 76% | 0.762 | S | S | * | * | trans | 54.3 | 142.6 | 149.6 | -60.3 | -63.5 | 0 | 0 | 0 | 120.3 | ||||
| 1330 | T | 32.2 | Very low | 30.3 | Very low | 113 Ų | 113 | 145.9 Ų | 145.9 | 69% | 0.693 | 74% | 0.744 | S | S | * | * | cis | -158.1 | 168.1 | 8 | -10.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1331 | T | 31.8 | Very low | 30.4 | Very low | 139 Ų | 139 | 142.7 Ų | 142.7 | 85% | 0.853 | 73% | 0.732 | S | S | * | * | trans | 73.6 | 150.7 | 157.3 | 45.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1332 | H | 30.1 | Very low | 30.4 | Very low | 184 Ų | 184 | 144.1 Ų | 144.1 | 85% | 0.852 | 74% | 0.737 | S | S | * | * | trans | -131.7 | 162.9 | -163.1 | -103.2 | -83 | 0 | 0 | 0 | 112.2 | ||||
| 1333 | S | 30 | Very low | 30.5 | Very low | 95 Ų | 95 | 140.7 Ų | 140.7 | 66% | 0.664 | 72% | 0.723 | S | S | * | * | trans | 67.4 | 124.6 | 145.2 | 66.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 1334 | H | 30.7 | Very low | 30.4 | Very low | 183 Ų | 183 | 141.1 Ų | 141.1 | 85% | 0.847 | 72% | 0.717 | S | S | * | * | -149.4 | 158.9 | 106.6 | -112.4 | 55.3 | 0 | 0 | 0 | 112.4 | |||||
| 1335 | P | 39.5 | Very low | 30.5 | Very low | 94 Ų | 94 | 144.2 Ų | 144.2 | 61% | 0.61 | 72% | 0.723 | S | S | * | * | trans | -131.6 | 177.8 | -160 | 43.2 | -27 | 0 | 0 | 0 | 116.6 | ||||
| 1336 | H | 29.9 | Very low | 30.3 | Very low | 177 Ų | 177 | 146.1 Ų | 146.1 | 82% | 0.819 | 73% | 0.728 | S | S | * | * | trans | 57.5 | 126.4 | 153.2 | -89 | -76.9 | 0 | 0 | 0 | 122.6 | ||||
| 1337 | H | 30.3 | Very low | 30.7 | Very low | 161 Ų | 161 | 142.9 Ų | 142.9 | 75% | 0.745 | 72% | 0.717 | S | S | * | * | trans | -30.4 | 139 | 162.7 | -71.1 | -84.6 | 0 | 0 | 0 | 119.1 | ||||
| 1338 | H | 31.8 | Very low | 30.5 | Very low | 168 Ų | 168 | 146.3 Ų | 146.3 | 78% | 0.778 | 72% | 0.723 | S | S | * | * | -142.1 | 145.7 | 106.7 | -89 | -34 | 0 | 0 | 0 | 108 | |||||
| 1339 | Q | 25.5 | Very low | 30.1 | Very low | 141 Ų | 141 | 144.5 Ų | 144.5 | 66% | 0.659 | 72% | 0.717 | S | S | * | * | 57 | 142 | 63.9 | -82.1 | -169.7 | 8.5 | 0 | 0 | 112.6 | |||||
| 1340 | Q | 27.2 | Very low | 29.9 | Very low | 114 Ų | 114 | 143.8 Ų | 143.8 | 53% | 0.533 | 71% | 0.714 | S | S | . | * | cis | -134.2 | -177 | 0.6 | -103.9 | 156 | 77.6 | 0 | 0 | 107.5 | ||||
| 1341 | Q | 29.4 | Very low | 29.6 | Very low | 140 Ų | 140 | 146.1 Ų | 146.1 | 65% | 0.654 | 72% | 0.717 | S | S | * | * | cis | -155.3 | 176.4 | 12.2 | -130.8 | 141.8 | -12.8 | 0 | 0 | 106.6 | Q1343 | Q1341-Q1343 HydrophobicContact CG-CB 4.26Å; Q1341-Q1343 HydrophobicContact CG-CG 3.9Å | ||
| 1342 | E | 28.1 | Very low | 29.4 | Very low | 184 Ų | 184 | 147.1 Ų | 147.1 | 86% | 0.86 | 71% | 0.712 | S | S | * | * | cis | -107.4 | 149 | -4.7 | -56.1 | 168.5 | 110.3 | 0 | 0 | 108.3 | ||||
| 1343 | Q | 28.4 | Very low | 29.3 | Very low | 87 Ų | 87 | 143 Ų | 143 | 41% | 0.407 | 70% | 0.703 | S | S | . | * | cis | 71.9 | 145.1 | 30.4 | -60.5 | -168 | -14.9 | 0 | 0 | 114.8 | Q1341 | Q1341-Q1343 HydrophobicContact CG-CB 4.26Å; Q1341-Q1343 HydrophobicContact CG-CG 3.9Å | ||
| 1344 | Q | 25.8 | Very low | 29.2 | Very low | 129 Ų | 129 | 145.6 Ų | 145.6 | 60% | 0.603 | 71% | 0.71 | S | S | * | * | cis | -155.1 | 157.9 | -17.1 | -109.3 | 166.3 | 11.5 | 0 | 0 | 105.7 | ||||
| 1345 | H | 30.6 | Very low | 29.2 | Very low | 171 Ų | 171 | 141.3 Ų | 141.3 | 79% | 0.792 | 70% | 0.7 | S | S | * | * | -178.1 | 160.4 | 80 | -101.9 | -78.7 | 0 | 0 | 0 | 113.5 | |||||
| 1346 | H | 24.8 | Very low | 28.8 | Very low | 175 Ų | 175 | 141.7 Ų | 141.7 | 81% | 0.81 | 71% | 0.705 | S | S | * | * | trans | -93.8 | 178.1 | 163.1 | -102.6 | -18.7 | 0 | 0 | 0 | 110.2 | ||||
| 1347 | P | 39.3 | Very low | 28.9 | Very low | 100 Ų | 100 | 139.8 Ų | 139.8 | 65% | 0.649 | 70% | 0.699 | S | S | * | * | cis | -141.8 | -162.2 | -20.1 | 36.9 | -15 | 0 | 0 | 0 | 114.3 | ||||
| 1348 | Q | 26.5 | Very low | 28.8 | Very low | 163 Ų | 163 | 141 Ų | 141 | 76% | 0.762 | 71% | 0.705 | S | S | * | * | trans | 90.2 | 129.8 | 144.4 | -87.9 | -178.2 | -11.9 | 0 | 0 | 123.9 | ||||
| 1349 | Q | 27.7 | Very low | 28.8 | Very low | 149 Ų | 149 | 136.1 Ų | 136.1 | 70% | 0.696 | 70% | 0.701 | S | S | * | * | trans | 75.9 | 123.2 | 144.4 | -70 | -171.8 | 8.3 | 0 | 0 | 124.1 | ||||
| 1350 | Q | 27.8 | Very low | 28.9 | Very low | 152 Ų | 152 | 137.9 Ų | 137.9 | 71% | 0.71 | 71% | 0.709 | S | S | * | * | trans | 64.8 | 131.3 | 139 | -67.1 | -178.8 | -11.4 | 0 | 0 | 122 | ||||
| 1351 | Q | 27.2 | Very low | 29 | Very low | 162 Ų | 162 | 138.9 Ų | 138.9 | 76% | 0.757 | 72% | 0.717 | S | S | * | * | trans | 48.5 | 135.1 | 138.6 | -62.9 | 172.7 | -7.9 | 0 | 0 | 118.8 | ||||
| 1352 | Q | 27.2 | Very low | 28.7 | Very low | 161 Ų | 161 | 135.6 Ų | 135.6 | 75% | 0.752 | 70% | 0.704 | S | S | * | * | cis | -164.2 | 165.4 | 20.8 | -137.8 | 171.7 | -6.6 | 0 | 0 | 111 | ||||
| 1353 | C | 27.6 | Very low | 28.9 | Very low | 96 Ų | 96 | 132.2 Ų | 132.2 | 65% | 0.649 | 70% | 0.697 | S | S | * | * | trans | 65.7 | 118.6 | 158.2 | -59.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1354 | N | 28.8 | Very low | 28.7 | Very low | 151 Ų | 151 | 132.2 Ų | 132.2 | 81% | 0.807 | 70% | 0.697 | S | S | * | * | 58.9 | 144 | 126.7 | -58.5 | 2.3 | 0 | 0 | 0 | 121.7 | |||||
| 1355 | S | 30.3 | Very low | 28.8 | Very low | 93 Ų | 93 | 133.1 Ų | 133.1 | 65% | 0.65 | 71% | 0.706 | S | S | * | * | cis | -175.5 | 155.8 | -11.2 | 49 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1356 | S | 30.4 | Very low | 28.7 | Very low | 102 Ų | 102 | 130.8 Ų | 130.8 | 71% | 0.713 | 71% | 0.706 | S | S | * | * | trans | 72.7 | 152.8 | 148.1 | -64.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1357 | I | 31.5 | Very low | 29 | Very low | 137 Ų | 137 | 127.4 Ų | 127.4 | 70% | 0.703 | 70% | 0.699 | S | S | * | * | cis | -158.1 | 148.1 | -13.1 | -115.2 | 165.7 | 0 | 0 | 0 | 110.6 | ||||
| 1358 | H | 29.5 | Very low | 28.3 | Very low | 185 Ų | 185 | 130 Ų | 130 | 86% | 0.856 | 71% | 0.706 | S | S | * | * | trans | 43 | 160.7 | 161 | -70 | -41.1 | 0 | 0 | 0 | 122.3 | ||||
| 1359 | G | 31.1 | Very low | 28.2 | Very low | 67 Ų | 67 | 126.8 Ų | 126.8 | 69% | 0.691 | 70% | 0.702 | S | S | * | * | cis | -162.8 | 169.8 | 2.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1360 | Q | 27.9 | Very low | 28 | Very low | 178 Ų | 178 | 125.2 Ų | 125.2 | 83% | 0.832 | 71% | 0.707 | S | S | * | * | trans | -154.8 | 144.6 | -159.2 | -172 | -175.8 | 34.1 | 0 | 0 | 111.4 | ||||
| 1361 | L | 29.6 | Very low | 27.8 | Very low | 135 Ų | 135 | 125.7 Ų | 125.7 | 71% | 0.707 | 71% | 0.709 | S | S | * | * | 160.1 | 145.2 | 129.3 | -86.2 | 162.1 | 0 | 0 | 0 | 116.2 | |||||
| 1362 | L | 23.5 | Very low | 27.7 | Very low | 71 Ų | 71 | 124.8 Ų | 124.8 | 37% | 0.372 | 71% | 0.705 | S | S | . | * | trans | -138 | 150.8 | 148.2 | -170.1 | 86.3 | 0 | 0 | 0 | 106.1 | ||||
| 1363 | P | 32.4 | Very low | 27.5 | Very low | 112 Ų | 112 | 124.3 Ų | 124.3 | 73% | 0.727 | 70% | 0.703 | S | S | * | * | -146.7 | -151.5 | 116.5 | 37 | -18.4 | 0 | 0 | 0 | 114.1 | |||||
| 1364 | Q | 24.5 | Very low | 27.4 | Very low | 87 Ų | 87 | 126.6 Ų | 126.6 | 41% | 0.407 | 70% | 0.704 | S | S | . | * | trans | -129.2 | 179.7 | -151.5 | -70.4 | 153 | 27.2 | 0 | 0 | 115.9 | S587 H588 | S587-Q1364 PolarHBondContact O-NE2 3.39Å; H588-Q1364 PolarHBondContact CE1-OE1 3.23Å; H588-Q1364 VanDerWaalsContact N-NE2 3.17Å; H588-Q1364 VanDerWaalsContact ND1-CD 3.31Å; H588-Q1364 PolarHBondContact ND1-OE1 2.75Å | ||
| 1365 | L | 27.3 | Very low | 27.2 | Very low | 148 Ų | 148 | 124.1 Ų | 124.1 | 78% | 0.775 | 69% | 0.688 | S | S | * | * | trans | -43.5 | 158.1 | 169.3 | -78.9 | 64.6 | 0 | 0 | 0 | 115.6 | ||||
| 1366 | P | 27.5 | Very low | 27 | Very low | 123 Ų | 123 | 127.4 Ų | 127.4 | 80% | 0.799 | 69% | 0.693 | S | S | * | * | -140.6 | 176.6 | 107.6 | 36.7 | -22.7 | 0 | 0 | 0 | 115.5 | |||||
| 1367 | P | 31.4 | Very low | 26.7 | Very low | 103 Ų | 103 | 131 Ų | 131 | 67% | 0.669 | 70% | 0.698 | S | S | * | * | trans | -123.1 | 162.6 | -170.2 | 42 | -29.9 | 0 | 0 | 0 | 117.7 | ||||
| 1368 | I | 24.3 | Very low | 26.6 | Very low | 155 Ų | 155 | 129.7 Ų | 129.7 | 80% | 0.795 | 70% | 0.699 | S | S | * | * | trans | 48 | 112.4 | 146.5 | -55.9 | 159.4 | 0 | 0 | 0 | 117.7 | ||||
| 1369 | S | 24.3 | Very low | 26.5 | Very low | 96 Ų | 96 | 128 Ų | 128 | 67% | 0.671 | 70% | 0.696 | S | S | * | * | 178.5 | 152.1 | 86.3 | -57.5 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1370 | S | 24.2 | Very low | 26.2 | Very low | 115 Ų | 115 | 130.2 Ų | 130.2 | 80% | 0.804 | 70% | 0.701 | S | S | * | * | trans | 59.4 | 160.7 | 153.5 | 46.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 1371 | Q | 24.3 | Very low | 26.2 | Very low | 162 Ų | 162 | 130.2 Ų | 130.2 | 76% | 0.757 | 70% | 0.7 | S | S | * | * | cis | -151.1 | 151.7 | -0.5 | -139.6 | 177 | -15.5 | 0 | 0 | 111.8 | ||||
| 1372 | Q | 24.1 | Very low | 26 | Very low | 143 Ų | 143 | 128.8 Ų | 128.8 | 67% | 0.668 | 70% | 0.702 | S | S | * | * | trans | 31 | 147.7 | 145.7 | -84.1 | -170 | 10.4 | 0 | 0 | 126.2 | ||||
| 1373 | Q | 23.9 | Very low | 26.4 | Very low | 151 Ų | 151 | 132.2 Ų | 132.2 | 71% | 0.706 | 72% | 0.719 | S | S | * | * | trans | 72.7 | 149.9 | 146.4 | -75.9 | -171.7 | 72.6 | 0 | 0 | 119.1 | ||||
| 1374 | Q | 24.1 | Very low | 26.1 | Very low | 145 Ų | 145 | 133.7 Ų | 133.7 | 68% | 0.678 | 72% | 0.716 | S | S | * | * | cis | -163 | 166.6 | -26.9 | -152.4 | -172.6 | 87.3 | 0 | 0 | 110.8 | ||||
| 1375 | Q | 25.5 | Very low | 26.2 | Very low | 99 Ų | 99 | 137.7 Ų | 137.7 | 46% | 0.463 | 74% | 0.74 | S | S | . | * | trans | 86.4 | 118 | 163.4 | -54.5 | -171.9 | 15.3 | 0 | 0 | 120.5 | ||||
| 1376 | Q | 25.4 | Very low | 26.3 | Very low | 162 Ų | 162 | 133.9 Ų | 133.9 | 76% | 0.757 | 73% | 0.725 | S | S | * | * | 39.7 | 128.2 | 124.5 | -52 | 175.3 | 30.7 | 0 | 0 | 118.4 | |||||
| 1377 | Q | 25.2 | Very low | 26.8 | Very low | 178 Ų | 178 | 136.1 Ų | 136.1 | 83% | 0.832 | 73% | 0.73 | S | S | * | * | -140.2 | 173.6 | 51.5 | -100.1 | -151.9 | 45.2 | 0 | 0 | 114.7 | |||||
| 1378 | P | 28.5 | Very low | 27.2 | Very low | 109 Ų | 109 | 139.9 Ų | 139.9 | 71% | 0.708 | 73% | 0.731 | S | S | * | * | trans | -87.5 | 135.4 | -156.9 | 33.3 | -34.6 | 0 | 0 | 0 | 114.7 | ||||
| 1379 | N | 26.9 | Very low | 29 | Very low | 149 Ų | 149 | 134.7 Ų | 134.7 | 80% | 0.797 | 71% | 0.709 | S | S | * | * | trans | -124.1 | 160.8 | 160.6 | -95.4 | -41.8 | 0 | 0 | 0 | 111 | H1381 | N1379-H1381 PolarHBondContact O-N 3.31Å; N1379-H1381 VanDerWaalsContact O-N 3.15Å | ||
| 1380 | S | 25.5 | Very low | 30 | Very low | 114 Ų | 114 | 137.6 Ų | 137.6 | 80% | 0.797 | 71% | 0.705 | S | S | * | * | trans | -68.3 | 102.4 | -171.9 | 37.8 | 0 | 0 | 0 | 0 | 113.2 | S1382 | S1380-S1382 PolarHBondContact O-N 2.76Š| ||
| 1381 | H | 28.6 | Very low | 31.4 | Very low | 177 Ų | 177 | 137.6 Ų | 137.6 | 82% | 0.819 | 70% | 0.695 | S | S | * | * | trans | -89.3 | 103 | 168 | -79.7 | -55.5 | 0 | 0 | 0 | 112 | N1379 | N1379-H1381 PolarHBondContact O-N 3.31Å; N1379-H1381 VanDerWaalsContact O-N 3.15Å | ||
| 1382 | S | 24.8 | Very low | 33.1 | Very low | 106 Ų | 106 | 133.7 Ų | 133.7 | 74% | 0.741 | 68% | 0.677 | S | S | * | * | trans | -58 | 128.4 | 148.3 | 44.9 | 0 | 0 | 0 | 0 | 108.9 | S1380 Q1384 | S1380-S1382 PolarHBondContact O-N 2.76Å; S1382-Q1384 PolarHBondContact O-N 2.93Å | ||
| 1383 | I | 32.1 | Very low | 34.5 | Very low | 143 Ų | 143 | 130.4 Ų | 130.4 | 73% | 0.733 | 66% | 0.662 | S | S | * | * | trans | -81.1 | 90 | -176.6 | -60.9 | 179.6 | 0 | 0 | 0 | 109 | L1385 | I1383-L1385 PolarHBondContact O-N 3.44Š| ||
| 1384 | Q | 26.4 | Very low | 36.2 | Very low | 143 Ų | 143 | 130.6 Ų | 130.6 | 67% | 0.668 | 66% | 0.656 | S | S | * | * | trans | -71.4 | 116.3 | 173 | -128.1 | 178.9 | 8.3 | 0 | 0 | 110 | S1382 S1386 | S1382-Q1384 PolarHBondContact O-N 2.93Å; Q1384-S1386 PolarHBondContact O-N 3.44Å | ||
| 1385 | L | 26.4 | Very low | 38.2 | Very low | 171 Ų | 171 | 127.7 Ų | 127.7 | 90% | 0.895 | 64% | 0.641 | S | S | * | * | trans | -75 | 57.6 | 177.8 | -79.4 | 165.8 | 0 | 0 | 0 | 112.1 | I1383 | I1383-L1385 PolarHBondContact O-N 3.44Š| ||
| 1386 | S | 30 | Very low | 39.9 | Very low | 67 Ų | 67 | 127.1 Ų | 127.1 | 47% | 0.469 | 64% | 0.641 | S | S | . | * | trans | -153.1 | 83.1 | -172.8 | 53.9 | 0 | 0 | 0 | 0 | 113.4 | Q1384 | Q1384-S1386 PolarHBondContact O-N 3.44Š| ||
| 1387 | N | 36.6 | Very low | 41.8 | Very low | 170 Ų | 170 | 123.8 Ų | 123.8 | 91% | 0.909 | 62% | 0.621 | S | S | * | * | trans | -147.2 | 64.3 | 159.9 | -98.8 | -36.2 | 0 | 0 | 0 | 110.8 | ||||
| 1388 | W | 40.6 | Very low | 44.1 | Very low | 183 Ų | 183 | 120 Ų | 120 | 69% | 0.693 | 61% | 0.605 | S | S | * | * | trans | -102.2 | 134.3 | 153.2 | -71 | 84 | 0 | 0 | 0 | 106.5 | E1392 L1396 | W1388-E1392 HydrophobicContact CE3-CB 4.01Å; W1388-L1396 HydrophobicContact CE3-CD1 3.87Å; W1388-L1396 HydrophobicContact CH2-CD1 3.87Å; W1388-L1396 HydrophobicContact CZ3-CD1 3.44Å; W1388-L1396 VanDerWaalsContact CZ3-CD1 3.44Å | ||
| 1389 | S | 60.9 | Low | 46.1 | Very low | 45 Ų | 45 | 117.9 Ų | 117.9 | 32% | 0.315 | 59% | 0.588 | S | S | . | * | trans | -68.2 | 150.8 | 176.3 | 82.9 | 0 | 0 | 0 | 0 | 110.9 | L1391 E1392 E1393 | S1389-L1391 PolarHBondContact O-N 2.79Å; S1389-L1391 PolarHBondContact OG-N 3Å; S1389-E1392 WeakPolarHBondContact CB-OE1 3.45Å; S1389-E1392 PolarHBondContact N-OE2 3.48Å; S1389-E1392 PolarHBondContact O-N 2.93Å; S1389-E1392 PolarHBondContact OG-N 2.87Å; S1389-E1392 PolarHBondContact OG-OE1 2.77Å; S1389-E1393 PolarHBondContact O-N 3.29Å | ||
| 1390 | R | 46 | Very low | 47.9 | Very low | 157 Ų | 157 | 118.2 Ų | 118.2 | 59% | 0.592 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -8.2 | 175.3 | -154.1 | 174.6 | -171 | 167.2 | 4.8 | 112.7 | ||
| 1391 | L | 54.5 | Low | 49.5 | Very low | 116 Ų | 116 | 120.2 Ų | 120.2 | 61% | 0.607 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -45.1 | 171 | -176.5 | 62.4 | 0 | 0 | 0 | 111.9 | S1389 E1393 R1394 K1395 | S1389-L1391 PolarHBondContact O-N 2.79Å; S1389-L1391 PolarHBondContact OG-N 3Å; L1391-E1393 VanDerWaalsContact C-N 3.34Å; L1391-E1393 PolarHBondContact O-N 3.29Å; L1391-R1394 CarbonylContact O-C 3.59Å; L1391-R1394 WeakPolarHBondContact O-CB 3.44Å; L1391-R1394 PolarHBondContact O-N 3.03Å; L1391-K1395 PolarHBondContact O-N 3.45Å |
| 1392 | E | 58.3 | Low | 51 | Low | 80 Ų | 80 | 116 Ų | 116 | 37% | 0.374 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.5 | -42.6 | 172.3 | -73.5 | 127.8 | -123 | 0 | 0 | 111.8 | W1388 S1389 R1394 K1395 L1396 | W1388-E1392 HydrophobicContact CE3-CB 4.01Å; S1389-E1392 WeakPolarHBondContact CB-OE1 3.45Å; S1389-E1392 PolarHBondContact N-OE2 3.48Å; S1389-E1392 PolarHBondContact O-N 2.93Å; S1389-E1392 PolarHBondContact OG-N 2.87Å; S1389-E1392 PolarHBondContact OG-OE1 2.77Å; E1392-R1394 PolarHBondContact O-N 2.88Å; E1392-K1395 WeakPolarHBondContact O-CB 3.27Å; E1392-K1395 PolarHBondContact O-N 2.94Å; E1392-L1396 WeakPolarHBondContact O-CB 3.36Å; E1392-L1396 PolarHBondContact O-N 2.93Å |
| 1393 | E | 53.4 | Low | 52.9 | Low | 74 Ų | 74 | 115.8 Ų | 115.8 | 35% | 0.346 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.3 | -37 | 176.5 | -159.2 | -150 | 143.6 | 0 | 0 | 111.1 | S1389 L1391 R1397 | S1389-E1393 PolarHBondContact O-N 3.29Å; L1391-E1393 VanDerWaalsContact C-N 3.34Å; L1391-E1393 PolarHBondContact O-N 3.29Å; E1393-R1397 WeakPolarHBondContact O-CB 3.38Å; E1393-R1397 VanDerWaalsContact O-CG 3.26Å; E1393-R1397 WeakPolarHBondContact O-CG 3.33Å; E1393-R1397 PolarHBondContact O-N 3.05Å; E1393-R1397 IonicContact OE1-CZ 3.85Å; E1393-R1397 IonicContact OE1-NE 3.35Å; E1393-R1397 PolarHBondContact OE1-NE 3.44Å; E1393-R1397 IonicContact OE1-NH2 2.78Å; E1393-R1397 PolarHBondContact OE1-NH2 3.34Å |
| 1394 | R | 61.6 | Low | 54.9 | Low | 155 Ų | 155 | 111.7 Ų | 111.7 | 59% | 0.585 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69.8 | -44.5 | 173.1 | -86 | -178.1 | 156.8 | 119.2 | -6.7 | 112.4 | L1391 E1392 L1396 R1397 I1398 | L1391-R1394 CarbonylContact O-C 3.59Å; L1391-R1394 WeakPolarHBondContact O-CB 3.44Å; L1391-R1394 PolarHBondContact O-N 3.03Å; E1392-R1394 PolarHBondContact O-N 2.88Å; R1394-L1396 VanDerWaalsContact C-N 3.34Å; R1394-L1396 PolarHBondContact O-N 2.82Å; R1394-R1397 PolarHBondContact O-N 3.35Å; R1394-I1398 VanDerWaalsContact O-CG1 3.28Å; R1394-I1398 WeakPolarHBondContact O-CG1 2.96Å; R1394-I1398 PolarHBondContact O-N 2.88Å |
| 1395 | K | 64.2 | Low | 56.6 | Low | 84 Ų | 84 | 110.4 Ų | 110.4 | 37% | 0.365 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -54.8 | -50.2 | 172.7 | -75.2 | -176 | 177.1 | -172.2 | 0 | 110.3 | E346 L1391 E1392 R1397 I1398 I1399 | E346-K1395 VanDerWaalsContact CD-NZ 3.33Å; E346-K1395 IonicContact OE1-NZ 2.71Å; E346-K1395 PolarHBondContact OE1-NZ 3.41Å; E346-K1395 IonicContact OE2-NZ 3.35Å; E346-K1395 PolarHBondContact OE2-NZ 3.3Å; L1391-K1395 PolarHBondContact O-N 3.45Å; E1392-K1395 WeakPolarHBondContact O-CB 3.27Å; E1392-K1395 PolarHBondContact O-N 2.94Å; K1395-R1397 PolarHBondContact O-N 2.86Å; K1395-I1398 PolarHBondContact O-N 3.5Å; K1395-I1399 VanDerWaalsContact O-CG1 3.32Å; K1395-I1399 WeakPolarHBondContact O-CG1 3.3Å; K1395-I1399 PolarHBondContact O-N 2.78Å |
| 1396 | L | 63 | Low | 58.4 | Low | 86 Ų | 86 | 107.7 Ų | 107.7 | 45% | 0.45 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.3 | -44 | 177.9 | -91.8 | 167.4 | 0 | 0 | 0 | 112.8 | W1388 E1392 R1394 I1398 I1399 Y1400 | W1388-L1396 HydrophobicContact CE3-CD1 3.87Å; W1388-L1396 HydrophobicContact CH2-CD1 3.87Å; W1388-L1396 HydrophobicContact CZ3-CD1 3.44Å; W1388-L1396 VanDerWaalsContact CZ3-CD1 3.44Å; E1392-L1396 WeakPolarHBondContact O-CB 3.36Å; E1392-L1396 PolarHBondContact O-N 2.93Å; R1394-L1396 VanDerWaalsContact C-N 3.34Å; R1394-L1396 PolarHBondContact O-N 2.82Å; L1396-I1398 PolarHBondContact O-N 3.45Å; L1396-I1399 PolarHBondContact O-N 3.04Å; L1396-Y1400 WeakPolarHBondContact O-CB 3.41Å; L1396-Y1400 PolarHBondContact O-N 2.9Å |
| 1397 | R | 65 | Low | 59.7 | Low | 93 Ų | 93 | 112 Ų | 112 | 35% | 0.351 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.1 | -42.5 | 174.5 | -75.8 | 174.2 | -175.1 | -100.9 | 6.1 | 111.6 | E1393 R1394 K1395 Y1400 Y1401 | E1393-R1397 WeakPolarHBondContact O-CB 3.38Å; E1393-R1397 VanDerWaalsContact O-CG 3.26Å; E1393-R1397 WeakPolarHBondContact O-CG 3.33Å; E1393-R1397 PolarHBondContact O-N 3.05Å; E1393-R1397 IonicContact OE1-CZ 3.85Å; E1393-R1397 IonicContact OE1-NE 3.35Å; E1393-R1397 PolarHBondContact OE1-NE 3.44Å; E1393-R1397 IonicContact OE1-NH2 2.78Å; E1393-R1397 PolarHBondContact OE1-NH2 3.34Å; R1394-R1397 PolarHBondContact O-N 3.35Å; K1395-R1397 PolarHBondContact O-N 2.86Å; R1397-Y1400 PolarHBondContact O-N 3.45Å; R1397-Y1401 WeakPolarHBondContact O-CD2 3.46Å; R1397-Y1401 PolarHBondContact O-N 3Å |
| 1398 | I | 72.3 | Confident | 60.8 | Low | 97 Ų | 97 | 110.3 Ų | 110.3 | 50% | 0.497 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.2 | -49.1 | 177.1 | -69.2 | 163.6 | 0 | 0 | 0 | 110.8 | R1394 K1395 L1396 Y1400 Y1401 Q1402 | R1394-I1398 VanDerWaalsContact O-CG1 3.28Å; R1394-I1398 WeakPolarHBondContact O-CG1 2.96Å; R1394-I1398 PolarHBondContact O-N 2.88Å; K1395-I1398 PolarHBondContact O-N 3.5Å; L1396-I1398 PolarHBondContact O-N 3.45Å; I1398-Y1400 VanDerWaalsContact C-N 3.31Å; I1398-Y1400 PolarHBondContact O-N 3.39Å; I1398-Y1401 PolarHBondContact O-N 3Å; I1398-Q1402 HydrophobicContact CG2-CG 4.47Å; I1398-Q1402 WeakPolarHBondContact O-CB 3.48Å; I1398-Q1402 WeakPolarHBondContact O-CG 3.31Å; I1398-Q1402 PolarHBondContact O-N 2.92Å |
| 1399 | I | 71.2 | Confident | 61.7 | Low | 65 Ų | 65 | 108.7 Ų | 108.7 | 33% | 0.333 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.1 | -41.6 | 177.1 | -68.3 | 164.6 | 0 | 0 | 0 | 110.8 | L349 K1395 L1396 Q1402 L1403 | L349-I1399 HydrophobicContact CD2-CD1 4.46Å; K1395-I1399 VanDerWaalsContact O-CG1 3.32Å; K1395-I1399 WeakPolarHBondContact O-CG1 3.3Å; K1395-I1399 PolarHBondContact O-N 2.78Å; L1396-I1399 PolarHBondContact O-N 3.04Å; I1399-Q1402 PolarHBondContact O-N 3.01Å; I1399-L1403 HydrophobicContact CG2-CD1 3.85Å; I1399-L1403 WeakPolarHBondContact O-CD1 3.44Å; I1399-L1403 PolarHBondContact O-N 2.86Å |
| 1400 | Y | 65.1 | Low | 61 | Low | 157 Ų | 157 | 111.7 Ų | 111.7 | 62% | 0.616 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.7 | -41.9 | 176.9 | -174.6 | -109.7 | 0 | 0 | 0 | 112.5 | L1396 R1397 I1398 L1403 I1404 | L1396-Y1400 WeakPolarHBondContact O-CB 3.41Å; L1396-Y1400 PolarHBondContact O-N 2.9Å; R1397-Y1400 PolarHBondContact O-N 3.45Å; I1398-Y1400 VanDerWaalsContact C-N 3.31Å; I1398-Y1400 PolarHBondContact O-N 3.39Å; Y1400-L1403 PolarHBondContact O-N 3.47Å; Y1400-I1404 HydrophobicContact CD1-CD1 3.8Å; Y1400-I1404 HydrophobicContact CE1-CD1 3.4Å; Y1400-I1404 HydrophobicContact CE2-CD1 4.29Å; Y1400-I1404 HydrophobicContact CG-CD1 4.41Å; Y1400-I1404 WeakPolarHBondContact O-CB 3.35Å; Y1400-I1404 WeakPolarHBondContact O-CG1 3.28Å; Y1400-I1404 PolarHBondContact O-N 3.29Å |
| 1401 | Y | 58.4 | Low | 61 | Low | 155 Ų | 155 | 108.9 Ų | 108.9 | 61% | 0.608 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.8 | -39.2 | 172.6 | -78 | -58.4 | 0 | 0 | 0 | 112.4 | R1397 I1398 I1404 H1405 | R1397-Y1401 WeakPolarHBondContact O-CD2 3.46Å; R1397-Y1401 PolarHBondContact O-N 3Å; I1398-Y1401 PolarHBondContact O-N 3Å; Y1401-I1404 PolarHBondContact O-N 3.19Å; Y1401-H1405 WeakPolarHBondContact O-CB 3.29Å; Y1401-H1405 PolarHBondContact O-N 2.7Å |
| 1402 | Q | 61.1 | Low | 60.6 | Low | 89 Ų | 89 | 106.2 Ų | 106.2 | 42% | 0.416 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.2 | -42.3 | 174.7 | -73.9 | 175.3 | -12.4 | 0 | 0 | 111.9 | I1398 I1399 H1405 H1406 | I1398-Q1402 HydrophobicContact CG2-CG 4.47Å; I1398-Q1402 WeakPolarHBondContact O-CB 3.48Å; I1398-Q1402 WeakPolarHBondContact O-CG 3.31Å; I1398-Q1402 PolarHBondContact O-N 2.92Å; I1399-Q1402 PolarHBondContact O-N 3.01Å; Q1402-H1405 PolarHBondContact O-N 3.13Å; Q1402-H1406 PolarHBondContact O-N 3.3Å |
| 1403 | L | 64 | Low | 60 | Low | 101 Ų | 101 | 108.4 Ų | 108.4 | 53% | 0.529 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.4 | -41.2 | 173.1 | -99.7 | 87.2 | 0 | 0 | 0 | 112.2 | I1399 Y1400 H1405 H1406 Y1407 | I1399-L1403 HydrophobicContact CG2-CD1 3.85Å; I1399-L1403 WeakPolarHBondContact O-CD1 3.44Å; I1399-L1403 PolarHBondContact O-N 2.86Å; Y1400-L1403 PolarHBondContact O-N 3.47Å; L1403-H1405 VanDerWaalsContact C-N 3.31Å; L1403-H1405 PolarHBondContact O-N 3.2Å; L1403-H1406 PolarHBondContact O-N 2.97Å; L1403-Y1407 VanDerWaalsContact O-CB 3.25Å; L1403-Y1407 WeakPolarHBondContact O-CB 3.5Å; L1403-Y1407 PolarHBondContact O-N 3.42Å |
| 1404 | I | 73.8 | Confident | 59.4 | Low | 58 Ų | 58 | 111.4 Ų | 111.4 | 30% | 0.297 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.8 | -38.9 | 174.7 | -74.7 | 171.8 | 0 | 0 | 0 | 110.9 | Y1400 Y1401 Y1407 K1408 | Y1400-I1404 HydrophobicContact CD1-CD1 3.8Å; Y1400-I1404 HydrophobicContact CE1-CD1 3.4Å; Y1400-I1404 HydrophobicContact CE2-CD1 4.29Å; Y1400-I1404 HydrophobicContact CG-CD1 4.41Å; Y1400-I1404 WeakPolarHBondContact O-CB 3.35Å; Y1400-I1404 WeakPolarHBondContact O-CG1 3.28Å; Y1400-I1404 PolarHBondContact O-N 3.29Å; Y1401-I1404 PolarHBondContact O-N 3.19Å; I1404-Y1407 PolarHBondContact O-N 2.94Å; I1404-K1408 HydrophobicContact CG2-CD 4.26Å; I1404-K1408 WeakPolarHBondContact O-CB 3.48Å; I1404-K1408 WeakPolarHBondContact O-CG 3.49Å; I1404-K1408 PolarHBondContact O-N 2.61Å |
| 1405 | H | 63 | Low | 58.4 | Low | 116 Ų | 116 | 109.7 Ų | 109.7 | 54% | 0.537 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.7 | -44.7 | 176 | -173.5 | -96.5 | 0 | 0 | 0 | 111.7 | Y1401 Q1402 L1403 K1408 R1409 | Y1401-H1405 WeakPolarHBondContact O-CB 3.29Å; Y1401-H1405 PolarHBondContact O-N 2.7Å; Q1402-H1405 PolarHBondContact O-N 3.13Å; L1403-H1405 VanDerWaalsContact C-N 3.31Å; L1403-H1405 PolarHBondContact O-N 3.2Å; H1405-K1408 PolarHBondContact O-N 3.14Å; H1405-R1409 VanDerWaalsContact O-CB 3.3Å; H1405-R1409 WeakPolarHBondContact O-CB 3.41Å; H1405-R1409 PolarHBondContact O-N 2.98Å |
| 1406 | H | 62.6 | Low | 57.1 | Low | 114 Ų | 114 | 112.2 Ų | 112.2 | 53% | 0.528 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 173.2 | -99.8 | -95.9 | 0 | 0 | 0 | 112.4 | Q1402 L1403 R1409 L1410 | Q1402-H1406 PolarHBondContact O-N 3.3Å; L1403-H1406 PolarHBondContact O-N 2.97Å; H1406-R1409 PolarHBondContact O-N 3.46Å; H1406-L1410 WeakPolarHBondContact O-CB 3.49Å; H1406-L1410 VanDerWaalsContact O-CG 3.3Å; H1406-L1410 WeakPolarHBondContact O-CG 3.31Å; H1406-L1410 PolarHBondContact O-N 2.89Å |
| 1407 | Y | 57.4 | Low | 55.6 | Low | 156 Ų | 156 | 114.2 Ų | 114.2 | 61% | 0.612 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.1 | -44.3 | 175.9 | -179 | -88.7 | 0 | 0 | 0 | 111.6 | L1403 I1404 L1410 Q1411 | L1403-Y1407 VanDerWaalsContact O-CB 3.25Å; L1403-Y1407 WeakPolarHBondContact O-CB 3.5Å; L1403-Y1407 PolarHBondContact O-N 3.42Å; I1404-Y1407 PolarHBondContact O-N 2.94Å; Y1407-L1410 PolarHBondContact O-N 2.86Å; Y1407-Q1411 WeakPolarHBondContact O-CB 3.37Å; Y1407-Q1411 PolarHBondContact O-N 3.41Å |
| 1408 | K | 60.8 | Low | 54 | Low | 136 Ų | 136 | 115.3 Ų | 115.3 | 59% | 0.591 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63 | -40.1 | 174.4 | -80.3 | -178.3 | 171.2 | -174.1 | 0 | 112.2 | I1404 H1405 Q1411 S1412 | I1404-K1408 HydrophobicContact CG2-CD 4.26Å; I1404-K1408 WeakPolarHBondContact O-CB 3.48Å; I1404-K1408 WeakPolarHBondContact O-CG 3.49Å; I1404-K1408 PolarHBondContact O-N 2.61Å; H1405-K1408 PolarHBondContact O-N 3.14Å; K1408-Q1411 PolarHBondContact O-N 2.97Å; K1408-S1412 PolarHBondContact O-N 3.35Å; K1408-S1412 PolarHBondContact O-OG 2.81Å |
| 1409 | R | 59.3 | Low | 52 | Low | 149 Ų | 149 | 114.6 Ų | 114.6 | 56% | 0.562 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -69.2 | -39.8 | 177.8 | -170.6 | 177.2 | -174.6 | 178.5 | 4.5 | 112.4 | H1405 H1406 S1412 M1413 | H1405-R1409 VanDerWaalsContact O-CB 3.3Å; H1405-R1409 WeakPolarHBondContact O-CB 3.41Å; H1405-R1409 PolarHBondContact O-N 2.98Å; H1406-R1409 PolarHBondContact O-N 3.46Å; R1409-S1412 WeakPolarHBondContact CA-OG 3.37Å; R1409-S1412 PolarHBondContact O-N 2.91Å; R1409-S1412 PolarHBondContact O-OG 3.33Å; R1409-M1413 HydrophobicContact CG-SD 4.41Å; R1409-M1413 WeakPolarHBondContact O-CB 3.32Å; R1409-M1413 VanDerWaalsContact O-CG 3.27Å; R1409-M1413 WeakPolarHBondContact O-CG 3.49Å; R1409-M1413 PolarHBondContact O-N 2.95Å |
| 1410 | L | 46.9 | Very low | 50.1 | Low | 107 Ų | 107 | 116.9 Ų | 116.9 | 56% | 0.56 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.2 | -42.2 | 170.2 | -74.1 | 167.9 | 0 | 0 | 0 | 110.6 | H1406 Y1407 S1412 M1413 L1414 | H1406-L1410 WeakPolarHBondContact O-CB 3.49Å; H1406-L1410 VanDerWaalsContact O-CG 3.3Å; H1406-L1410 WeakPolarHBondContact O-CG 3.31Å; H1406-L1410 PolarHBondContact O-N 2.89Å; Y1407-L1410 PolarHBondContact O-N 2.86Å; L1410-S1412 PolarHBondContact O-N 3.21Å; L1410-M1413 PolarHBondContact O-N 3.47Å; L1410-L1414 WeakPolarHBondContact O-CB 3.28Å; L1410-L1414 PolarHBondContact O-N 3.1Å |
| 1411 | Q | 44.4 | Very low | 48.2 | Very low | 98 Ų | 98 | 118.5 Ų | 118.5 | 46% | 0.458 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.6 | -39.7 | 177 | -174.2 | 176.8 | -6.4 | 0 | 0 | 112.2 | Y1407 K1408 L1414 I1415 | Y1407-Q1411 WeakPolarHBondContact O-CB 3.37Å; Y1407-Q1411 PolarHBondContact O-N 3.41Å; K1408-Q1411 PolarHBondContact O-N 2.97Å; Q1411-L1414 PolarHBondContact O-N 3.01Å; Q1411-I1415 HydrophobicContact CG-CD1 4.32Å; Q1411-I1415 WeakPolarHBondContact O-CD1 3.49Å; Q1411-I1415 VanDerWaalsContact O-CG1 3.28Å; Q1411-I1415 WeakPolarHBondContact O-CG1 3.4Å; Q1411-I1415 PolarHBondContact O-N 3.1Å |
| 1412 | S | 47.7 | Very low | 46.7 | Very low | 61 Ų | 61 | 118.6 Ų | 118.6 | 43% | 0.427 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.9 | -41.9 | 173.4 | 59.5 | 0 | 0 | 0 | 0 | 112 | K1408 R1409 L1410 L1414 I1415 | K1408-S1412 PolarHBondContact O-N 3.35Å; K1408-S1412 PolarHBondContact O-OG 2.81Å; R1409-S1412 WeakPolarHBondContact CA-OG 3.37Å; R1409-S1412 PolarHBondContact O-N 2.91Å; R1409-S1412 PolarHBondContact O-OG 3.33Å; L1410-S1412 PolarHBondContact O-N 3.21Å; S1412-L1414 PolarHBondContact O-N 3.35Å; S1412-I1415 PolarHBondContact O-N 3.41Å |
| 1413 | M | 44.4 | Very low | 45.1 | Very low | 126 Ų | 126 | 122.5 Ų | 122.5 | 62% | 0.621 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65 | -19.7 | 174.3 | -70.5 | 175.3 | 67.1 | 0 | 0 | 113.5 | R1409 L1410 | R1409-M1413 HydrophobicContact CG-SD 4.41Å; R1409-M1413 WeakPolarHBondContact O-CB 3.32Å; R1409-M1413 VanDerWaalsContact O-CG 3.27Å; R1409-M1413 WeakPolarHBondContact O-CG 3.49Å; R1409-M1413 PolarHBondContact O-N 2.95Å; L1410-M1413 PolarHBondContact O-N 3.47Å |
| 1414 | L | 40.5 | Very low | 43.5 | Very low | 136 Ų | 136 | 123.8 Ų | 123.8 | 71% | 0.712 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -5.7 | 175 | -144.2 | 74.4 | 0 | 0 | 0 | 113.4 | L1410 Q1411 S1412 | L1410-L1414 WeakPolarHBondContact O-CB 3.28Å; L1410-L1414 PolarHBondContact O-N 3.1Å; Q1411-L1414 PolarHBondContact O-N 3.01Å; S1412-L1414 PolarHBondContact O-N 3.35Å |
| 1415 | I | 41.8 | Very low | 41.1 | Very low | 119 Ų | 119 | 127.6 Ų | 127.6 | 61% | 0.61 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -27.6 | 178.4 | -79.2 | 164.2 | 0 | 0 | 0 | 111.8 | Q1411 S1412 M1417 | Q1411-I1415 HydrophobicContact CG-CD1 4.32Å; Q1411-I1415 WeakPolarHBondContact O-CD1 3.49Å; Q1411-I1415 VanDerWaalsContact O-CG1 3.28Å; Q1411-I1415 WeakPolarHBondContact O-CG1 3.4Å; Q1411-I1415 PolarHBondContact O-N 3.1Å; S1412-I1415 PolarHBondContact O-N 3.41Å; I1415-M1417 PolarHBondContact O-N 2.92Å |
| 1416 | D | 36.6 | Very low | 39.5 | Very low | 138 Ų | 138 | 128 Ų | 128 | 74% | 0.738 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -79.8 | 16.3 | 175.3 | -65.5 | -34.5 | 0 | 0 | 0 | 114 | ||
| 1417 | M | 31.7 | Very low | 37.8 | Very low | 128 Ų | 128 | 129 Ų | 129 | 63% | 0.631 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -104.9 | 124.9 | 173.2 | -77.3 | -85.2 | 81.2 | 0 | 0 | 111.1 | I1415 N1419 | I1415-M1417 PolarHBondContact O-N 2.92Å; M1417-N1419 PolarHBondContact O-N 2.87Å |
| 1418 | P | 31.9 | Very low | 36.3 | Very low | 115 Ų | 115 | 128.9 Ų | 128.9 | 75% | 0.747 | 67% | 0.669 | S | S | * | * | trans | -56.7 | 130.4 | 175 | -26.6 | 35.7 | 0 | 0 | 0 | 112.5 | ||||
| 1419 | N | 29.9 | Very low | 34.7 | Very low | 83 Ų | 83 | 128 Ų | 128 | 44% | 0.444 | 68% | 0.675 | S | S | . | * | trans | -27.7 | 108.3 | 178.8 | 175.6 | 28.8 | 0 | 0 | 0 | 115.6 | M1417 Y1421 | M1417-N1419 PolarHBondContact O-N 2.87Å; N1419-Y1421 PolarHBondContact O-N 2.96Å; N1419-Y1421 VanDerWaalsContact O-N 3.14Å; N1419-Y1421 WeakPolarHBondContact OD1-CB 3.41Å; N1419-Y1421 PolarHBondContact OD1-N 3.5Å | ||
| 1420 | P | 30.2 | Very low | 33.2 | Very low | 113 Ų | 113 | 127.8 Ų | 127.8 | 73% | 0.734 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | 1.2 | 177.5 | 30.2 | -35.4 | 0 | 0 | 0 | 114.3 | ||
| 1421 | Y | 26.6 | Very low | 32.3 | Very low | 191 Ų | 191 | 127.9 Ų | 127.9 | 75% | 0.749 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | 33.8 | 177.5 | -67.1 | -85.4 | 0 | 0 | 0 | 113.3 | N1419 | N1419-Y1421 PolarHBondContact O-N 2.96Å; N1419-Y1421 VanDerWaalsContact O-N 3.14Å; N1419-Y1421 WeakPolarHBondContact OD1-CB 3.41Å; N1419-Y1421 PolarHBondContact OD1-N 3.5Å |
| 1422 | Q | 26.2 | Very low | 31.5 | Very low | 156 Ų | 156 | 129.5 Ų | 129.5 | 73% | 0.729 | 71% | 0.707 | S | S | * | * | trans | -132.6 | 41.9 | 177.5 | -156.7 | 160.1 | 2.6 | 0 | 0 | 114.2 | ||||
| 1423 | L | 27.8 | Very low | 30.6 | Very low | 172 Ų | 172 | 133.1 Ų | 133.1 | 90% | 0.901 | 72% | 0.722 | S | S | * | * | trans | -115.7 | 90.5 | 156 | -84.5 | 170.5 | 0 | 0 | 0 | 109.3 | ||||
| 1424 | V | 29.2 | Very low | 29.9 | Very low | 128 Ų | 128 | 134.4 Ų | 134.4 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | trans | -78.1 | 141.8 | 167.1 | 175.7 | 0 | 0 | 0 | 0 | 108.6 | P1426 | V1424-P1426 WeakPolarHBondContact O-CD 3.38Š| ||
| 1425 | I | 25.1 | Very low | 29.5 | Very low | 137 Ų | 137 | 133.2 Ų | 133.2 | 70% | 0.703 | 73% | 0.734 | S | S | * | * | trans | -54.8 | 136.4 | 177.5 | -63.3 | 158 | 0 | 0 | 0 | 111.6 | ||||
| 1426 | P | 29 | Very low | 28.9 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 81% | 0.805 | 74% | 0.74 | S | S | * | * | trans | -117 | 107.3 | 143.3 | 12.3 | 9 | 0 | 0 | 0 | 109.3 | V1424 N1428 | V1424-P1426 WeakPolarHBondContact O-CD 3.38Å; P1426-N1428 PolarHBondContact O-N 3.16Å | ||
| 1427 | N | 25.8 | Very low | 28.5 | Very low | 136 Ų | 136 | 133 Ų | 133 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | trans | -70.6 | 122.8 | 157.6 | -73 | -18 | 0 | 0 | 0 | 106.8 | ||||
| 1428 | N | 27.3 | Very low | 28.3 | Very low | 153 Ų | 153 | 133.7 Ų | 133.7 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | -171.5 | 144.6 | 112.8 | -93.1 | -16.2 | 0 | 0 | 0 | 113.9 | P1426 | P1426-N1428 PolarHBondContact O-N 3.16Š| |||
| 1429 | T | 25.8 | Very low | 28.1 | Very low | 119 Ų | 119 | 134.4 Ų | 134.4 | 73% | 0.73 | 75% | 0.751 | S | S | * | * | trans | -45.4 | 141 | 163 | 49.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1430 | T | 28.5 | Very low | 28.1 | Very low | 144 Ų | 144 | 138.2 Ų | 138.2 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | trans | -144.2 | 120.6 | 131 | -35.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1431 | T | 27.4 | Very low | 27.9 | Very low | 109 Ų | 109 | 140.6 Ų | 140.6 | 67% | 0.669 | 77% | 0.772 | S | S | * | * | trans | -92 | 156.9 | 169.6 | 46.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1432 | N | 28.7 | Very low | 28 | Very low | 131 Ų | 131 | 137.1 Ų | 137.1 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | 86.9 | 93.4 | 159.6 | -55.2 | -20.1 | 0 | 0 | 0 | 119.6 | ||||
| 1433 | N | 28.6 | Very low | 28.1 | Very low | 137 Ų | 137 | 134.5 Ų | 134.5 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | 71.4 | 101.5 | 117.4 | -55.2 | -10.9 | 0 | 0 | 0 | 120.9 | |||||
| 1434 | N | 30.4 | Very low | 27.8 | Very low | 154 Ų | 154 | 133.5 Ų | 133.5 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | trans | 54.6 | 99.1 | 134.8 | -62.4 | -1.6 | 0 | 0 | 0 | 120.5 | ||||
| 1435 | S | 30.3 | Very low | 27.6 | Very low | 110 Ų | 110 | 134.6 Ų | 134.6 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | trans | 55.5 | 96.8 | 139.3 | -61.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1436 | S | 29.8 | Very low | 27.7 | Very low | 106 Ų | 106 | 133.6 Ų | 133.6 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | 58.9 | 116.7 | 122.7 | -51.6 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 1437 | N | 27.7 | Very low | 27.5 | Very low | 146 Ų | 146 | 136.1 Ų | 136.1 | 78% | 0.781 | 76% | 0.76 | S | S | * | * | -169.8 | 136.8 | 110 | -95.4 | -36 | 0 | 0 | 0 | 113.6 | |||||
| 1438 | N | 28 | Very low | 27.5 | Very low | 144 Ų | 144 | 136 Ų | 136 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | trans | 60.7 | 154.1 | 153.4 | -59.7 | -18.5 | 0 | 0 | 0 | 120.9 | ||||
| 1439 | V | 27.6 | Very low | 27.4 | Very low | 129 Ų | 129 | 132.8 Ų | 132.8 | 78% | 0.782 | 76% | 0.761 | S | S | * | * | cis | 176.6 | 116 | -45.7 | 140.5 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 1440 | L | 30.2 | Very low | 27.6 | Very low | 164 Ų | 164 | 133.4 Ų | 133.4 | 86% | 0.859 | 76% | 0.756 | S | S | * | * | trans | 173.6 | 123.7 | 170.1 | -97.4 | 163.2 | 0 | 0 | 0 | 103.3 | ||||
| 1441 | E | 26.4 | Very low | 27.9 | Very low | 162 Ų | 162 | 134.6 Ų | 134.6 | 76% | 0.757 | 75% | 0.748 | S | S | * | * | cis | -126.8 | 136.4 | 7 | -86 | 178.5 | 127.9 | 0 | 0 | 109.3 | ||||
| 1442 | T | 29.2 | Very low | 28.1 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 73% | 0.73 | 75% | 0.747 | S | S | * | * | 34.8 | 132.3 | 105.4 | 65.2 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 1443 | S | 26.6 | Very low | 28.1 | Very low | 100 Ų | 100 | 136.5 Ų | 136.5 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | cis | -160.6 | 149.4 | -3.9 | -87.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1444 | L | 23 | Very low | 28 | Very low | 151 Ų | 151 | 136 Ų | 136 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | 32.4 | 104.1 | 96.2 | -90.5 | 171.3 | 0 | 0 | 0 | 115.5 | |||||
| 1445 | M | 24.8 | Very low | 27.9 | Very low | 151 Ų | 151 | 133.9 Ų | 133.9 | 74% | 0.744 | 75% | 0.746 | S | S | * | * | trans | 177.8 | 123.6 | 135.2 | -105.9 | 34 | 173.1 | 0 | 0 | 108 | ||||
| 1446 | N | 26.6 | Very low | 27.7 | Very low | 117 Ų | 117 | 135.4 Ų | 135.4 | 63% | 0.626 | 75% | 0.746 | S | S | * | * | 63.5 | 117.3 | 92.2 | -57.7 | 13 | 0 | 0 | 0 | 110.8 | |||||
| 1447 | E | 23.9 | Very low | 27.8 | Very low | 177 Ų | 177 | 139 Ų | 139 | 83% | 0.827 | 75% | 0.75 | S | S | * | * | 54.1 | 148.6 | 52.4 | -151.1 | -179.6 | -139 | 0 | 0 | 113.3 | |||||
| 1448 | I | 26.8 | Very low | 27.8 | Very low | 133 Ų | 133 | 137.3 Ų | 137.3 | 68% | 0.682 | 75% | 0.746 | S | S | * | * | trans | 67 | 82.3 | 178.9 | -46.3 | 178.8 | 0 | 0 | 0 | 114.1 | E1450 | I1448-E1450 HydrophobicContact CG2-CB 4.32Å; I1448-E1450 PolarHBondContact O-N 2.99Å | ||
| 1449 | G | 25.5 | Very low | 27.9 | Very low | 86 Ų | 86 | 136.9 Ų | 136.9 | 89% | 0.887 | 74% | 0.742 | S | S | * | * | trans | -82.8 | 28.5 | 159.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1450 | E | 30.4 | Very low | 28.1 | Very low | 132 Ų | 132 | 136.7 Ų | 136.7 | 62% | 0.617 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -115.9 | 76.4 | -179.5 | -101.2 | -67 | 93.7 | 0 | 0 | 112.8 | I1448 | I1448-E1450 HydrophobicContact CG2-CB 4.32Å; I1448-E1450 PolarHBondContact O-N 2.99Å |
| 1451 | K | 35 | Very low | 28.2 | Very low | 168 Ų | 168 | 136.8 Ų | 136.8 | 73% | 0.73 | 73% | 0.732 | S | S | * | * | trans | 62.3 | 162.5 | 149.7 | -59.5 | -167.5 | -168.3 | 77.2 | 0 | 120.5 | ||||
| 1452 | P | 30.7 | Very low | 28.2 | Very low | 100 Ų | 100 | 137.5 Ų | 137.5 | 65% | 0.649 | 74% | 0.735 | S | S | * | * | trans | -131.7 | 166.7 | -162.2 | 42.9 | -26.2 | 0 | 0 | 0 | 116.7 | ||||
| 1453 | K | 28.5 | Very low | 28.7 | Very low | 181 Ų | 181 | 135.7 Ų | 135.7 | 79% | 0.787 | 73% | 0.725 | S | S | * | * | trans | 67.3 | 119.6 | 146.5 | -73.1 | 161.4 | -176.9 | 176.8 | 0 | 120.2 | ||||
| 1454 | T | 27.5 | Very low | 28.7 | Very low | 127 Ų | 127 | 137.4 Ų | 137.4 | 78% | 0.779 | 73% | 0.726 | S | S | * | * | trans | 66.4 | 142 | 132.3 | 61.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 1455 | T | 26.9 | Very low | 29.1 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 67% | 0.669 | 73% | 0.725 | S | S | * | * | cis | -169.2 | 160.1 | -5.8 | -97.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1456 | N | 26.6 | Very low | 29.2 | Very low | 142 Ų | 142 | 136.7 Ų | 136.7 | 76% | 0.759 | 72% | 0.724 | S | S | * | * | trans | 91.6 | 145.1 | 172.1 | -63.3 | -36.1 | 0 | 0 | 0 | 118.7 | ||||
| 1457 | H | 31 | Very low | 29.2 | Very low | 180 Ų | 180 | 136.9 Ų | 136.9 | 83% | 0.833 | 73% | 0.73 | S | S | * | * | trans | 65.3 | 144.7 | 169.8 | -70.8 | -56.5 | 0 | 0 | 0 | 118.5 | ||||
| 1458 | V | 28.9 | Very low | 29.3 | Very low | 112 Ų | 112 | 133.1 Ų | 133.1 | 68% | 0.679 | 72% | 0.723 | S | S | * | * | cis | -166 | 163.8 | -26.7 | 79 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1459 | I | 30.3 | Very low | 29.1 | Very low | 135 Ų | 135 | 137.8 Ų | 137.8 | 69% | 0.692 | 73% | 0.732 | S | S | * | * | trans | 73.7 | 107.4 | 159.7 | -74.3 | 170.4 | 0 | 0 | 0 | 118.9 | ||||
| 1460 | N | 31.1 | Very low | 29 | Very low | 124 Ų | 124 | 137.9 Ų | 137.9 | 66% | 0.663 | 72% | 0.719 | S | S | * | * | trans | 88.8 | 136.2 | 132.4 | -71.4 | 18.1 | 0 | 0 | 0 | 126.1 | ||||
| 1461 | H | 32.1 | Very low | 28.7 | Very low | 167 Ų | 167 | 138.5 Ų | 138.5 | 77% | 0.773 | 73% | 0.725 | S | S | * | * | trans | 80.9 | 69.3 | 147.3 | -58.7 | -39 | 0 | 0 | 0 | 123.4 | ||||
| 1462 | H | 25.9 | Very low | 28.1 | Very low | 176 Ų | 176 | 136.5 Ų | 136.5 | 82% | 0.815 | 73% | 0.727 | S | S | * | * | -54.1 | 174.7 | 125.2 | -117 | 8 | 0 | 0 | 0 | 112.7 | |||||
| 1463 | P | 40.5 | Very low | 27.9 | Very low | 81 Ų | 81 | 137.7 Ų | 137.7 | 53% | 0.526 | 73% | 0.732 | S | S | . | * | cis | -143.7 | -160.6 | -32.2 | 33.9 | -10.4 | 0 | 0 | 0 | 114.3 | ||||
| 1464 | N | 26.7 | Very low | 28 | Very low | 136 Ų | 136 | 136.4 Ų | 136.4 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | trans | 84.7 | 159.1 | 162 | -45.8 | -40 | 0 | 0 | 0 | 116.7 | ||||
| 1465 | I | 31.3 | Very low | 28.3 | Very low | 150 Ų | 150 | 135.5 Ų | 135.5 | 77% | 0.769 | 73% | 0.73 | S | S | * | * | cis | -135.1 | 119.7 | 17.8 | -69.7 | 173.6 | 0 | 0 | 0 | 113 | ||||
| 1466 | L | 26.1 | Very low | 28.3 | Very low | 138 Ų | 138 | 137 Ų | 137 | 72% | 0.723 | 73% | 0.733 | S | S | * | * | 29.6 | 134.5 | 129.9 | -61.7 | 163.1 | 0 | 0 | 0 | 123.5 | |||||
| 1467 | T | 27.5 | Very low | 28.5 | Very low | 121 Ų | 121 | 138 Ų | 138 | 74% | 0.742 | 73% | 0.733 | S | S | * | * | 74.6 | 143.5 | 123.3 | -66.6 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 1468 | S | 25.2 | Very low | 28.4 | Very low | 98 Ų | 98 | 136.1 Ų | 136.1 | 69% | 0.685 | 73% | 0.725 | S | S | * | * | cis | -174 | 152.3 | -21.9 | -85.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1469 | R | 23 | Very low | 28.2 | Very low | 230 Ų | 230 | 138.8 Ų | 138.8 | 87% | 0.868 | 73% | 0.73 | S | S | * | * | trans | 69.4 | 123.6 | 137.3 | -176.1 | 173.7 | -172.7 | 173.6 | 4.9 | 121.7 | ||||
| 1470 | S | 23 | Very low | 28 | Very low | 88 Ų | 88 | 140.8 Ų | 140.8 | 62% | 0.615 | 74% | 0.736 | S | S | * | * | trans | 90.8 | 126.2 | 140.8 | -81.7 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1471 | I | 24 | Very low | 28.1 | Very low | 145 Ų | 145 | 142.3 Ų | 142.3 | 74% | 0.744 | 74% | 0.743 | S | S | * | * | trans | 82.4 | 95.5 | 130.5 | -63.4 | 168.1 | 0 | 0 | 0 | 119.3 | ||||
| 1472 | T | 23.9 | Very low | 27.9 | Very low | 126 Ų | 126 | 142.3 Ų | 142.3 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | 69.4 | 150.1 | 124.8 | -42.2 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 1473 | V | 25.2 | Very low | 27.8 | Very low | 125 Ų | 125 | 140.1 Ų | 140.1 | 76% | 0.758 | 74% | 0.736 | S | S | * | * | trans | 93.8 | 112.5 | 167.3 | -169.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1474 | N | 31.7 | Very low | 27.2 | Very low | 155 Ų | 155 | 142.5 Ų | 142.5 | 83% | 0.829 | 75% | 0.745 | S | S | * | * | trans | -81.1 | 145.2 | 159 | -69.2 | -8.6 | 0 | 0 | 0 | 108.9 | ||||
| 1475 | P | 33.5 | Very low | 27.2 | Very low | 107 Ų | 107 | 143.7 Ų | 143.7 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | -152 | 142.8 | 92.4 | 37.5 | -19.4 | 0 | 0 | 0 | 117.6 | |||||
| 1476 | I | 27.3 | Very low | 27.1 | Very low | 142 Ų | 142 | 145.5 Ų | 145.5 | 73% | 0.728 | 75% | 0.751 | S | S | * | * | trans | 53.7 | 133.2 | 130.2 | -56.9 | 175.7 | 0 | 0 | 0 | 120.8 | ||||
| 1477 | Q | 30 | Very low | 27.2 | Very low | 163 Ų | 163 | 145.2 Ų | 145.2 | 76% | 0.762 | 75% | 0.75 | S | S | * | * | trans | 74.2 | 140.6 | 160.8 | -84.5 | 160.2 | -16.9 | 0 | 0 | 117.9 | ||||
| 1478 | Q | 28.3 | Very low | 27.1 | Very low | 139 Ų | 139 | 144.3 Ų | 144.3 | 65% | 0.65 | 75% | 0.749 | S | S | * | * | cis | -161.3 | 140.8 | -4.1 | -156.5 | 162.2 | -3.4 | 0 | 0 | 112.4 | ||||
| 1479 | Q | 25.1 | Very low | 27.4 | Very low | 169 Ų | 169 | 148.2 Ų | 148.2 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | trans | 61.1 | 155.2 | 165.8 | -74.3 | 160.3 | -20.9 | 0 | 0 | 116.8 | ||||
| 1480 | Q | 27.6 | Very low | 27.7 | Very low | 177 Ų | 177 | 140.8 Ų | 140.8 | 83% | 0.827 | 74% | 0.743 | S | S | * | * | cis | -148.3 | 170.6 | 20.5 | -160.7 | 166.7 | -12.2 | 0 | 0 | 112.2 | ||||
| 1481 | I | 31.4 | Very low | 28 | Very low | 155 Ų | 155 | 145.4 Ų | 145.4 | 80% | 0.795 | 76% | 0.758 | S | S | * | * | trans | 81.4 | 80.2 | 171.4 | -43.8 | -176.8 | 0 | 0 | 0 | 117.6 | ||||
| 1482 | H | 27.7 | Very low | 28.2 | Very low | 167 Ų | 167 | 142.4 Ų | 142.4 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | 74.6 | 163 | 126.2 | -138.8 | 70.8 | 0 | 0 | 0 | 122.6 | |||||
| 1483 | L | 24.5 | Very low | 28.8 | Very low | 131 Ų | 131 | 141.7 Ų | 141.7 | 69% | 0.686 | 74% | 0.743 | S | S | * | * | trans | -85.3 | 168.4 | -164.7 | -76.3 | 63.9 | 0 | 0 | 0 | 111.9 | ||||
| 1484 | D | 28.2 | Very low | 29.2 | Very low | 131 Ų | 131 | 143.8 Ų | 143.8 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | cis | -148 | 168.1 | 19 | -156.5 | 4.7 | 0 | 0 | 0 | 114.3 | ||||
| 1485 | Q | 25.7 | Very low | 29.2 | Very low | 161 Ų | 161 | 145.7 Ų | 145.7 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | trans | -124.1 | 115.9 | 168.7 | -72.8 | -171.6 | 5.3 | 0 | 0 | 111.8 | ||||
| 1486 | Q | 29.6 | Very low | 29.5 | Very low | 187 Ų | 187 | 149.8 Ų | 149.8 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | trans | -122.1 | 116.6 | 155.3 | -69.7 | -157.2 | 9.5 | 0 | 0 | 111.7 | ||||
| 1487 | N | 28.3 | Very low | 30 | Very low | 133 Ų | 133 | 148.7 Ų | 148.7 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | trans | -96.5 | 146.5 | -179 | -100.7 | -52.2 | 0 | 0 | 0 | 111.5 | ||||
| 1488 | S | 26.2 | Very low | 30.7 | Very low | 102 Ų | 102 | 144.6 Ų | 144.6 | 71% | 0.713 | 73% | 0.734 | S | S | * | * | trans | 30.2 | 96.4 | 151.4 | 63.7 | 0 | 0 | 0 | 0 | 117.6 | S1490 | S1488-S1490 PolarHBondContact O-N 3.46Š| ||
| 1489 | I | 31.4 | Very low | 31.5 | Very low | 180 Ų | 180 | 145.2 Ų | 145.2 | 92% | 0.923 | 74% | 0.741 | S | S | * | * | trans | -62.1 | 107 | 167.6 | -63.7 | 177.1 | 0 | 0 | 0 | 109 | ||||
| 1490 | S | 28.4 | Very low | 32.7 | Very low | 73 Ų | 73 | 140.2 Ų | 140.2 | 51% | 0.51 | 73% | 0.728 | S | S | . | * | trans | -81.9 | 141.7 | -173.4 | -167.5 | 0 | 0 | 0 | 0 | 112.2 | S1488 N1492 | S1488-S1490 PolarHBondContact O-N 3.46Å; S1490-N1492 PolarHBondContact O-N 2.78Å; S1490-N1492 PolarHBondContact OG-ND2 3.08Å | ||
| 1491 | M | 29.2 | Very low | 34.1 | Very low | 186 Ų | 186 | 134.6 Ų | 134.6 | 92% | 0.916 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | 50.9 | 175 | -76.8 | -79.7 | -78 | 0 | 0 | 113.2 | ||
| 1492 | N | 29.1 | Very low | 34.9 | Very low | 81 Ų | 81 | 133.4 Ų | 133.4 | 43% | 0.433 | 70% | 0.696 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -130.2 | -17.3 | -174 | -79.8 | -61 | 0 | 0 | 0 | 115.2 | S1490 L1494 R1495 | S1490-N1492 PolarHBondContact O-N 2.78Å; S1490-N1492 PolarHBondContact OG-ND2 3.08Å; N1492-L1494 VanDerWaalsContact C-N 3.27Å; N1492-L1494 PolarHBondContact O-N 3.45Å; N1492-R1495 PolarHBondContact O-N 2.81Å; N1492-R1495 PolarHBondContact OD1-NH2 3.31Å |
| 1493 | S | 36.1 | Very low | 36.6 | Very low | 111 Ų | 111 | 130.9 Ų | 130.9 | 78% | 0.776 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -16.4 | -177.4 | -59.5 | 0 | 0 | 0 | 0 | 115 | R1495 | S1493-R1495 VanDerWaalsContact C-N 3.31Å; S1493-R1495 PolarHBondContact O-N 3.44Å |
| 1494 | L | 34.4 | Very low | 38.6 | Very low | 169 Ų | 169 | 130.2 Ų | 130.2 | 89% | 0.885 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -3.8 | 176.3 | -84.4 | 163.9 | 0 | 0 | 0 | 114.5 | N1492 K1496 | N1492-L1494 VanDerWaalsContact C-N 3.27Å; N1492-L1494 PolarHBondContact O-N 3.45Å; L1494-K1496 PolarHBondContact O-N 3.32Å |
| 1495 | R | 31.9 | Very low | 40.2 | Very low | 196 Ų | 196 | 128.5 Ų | 128.5 | 74% | 0.74 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | 32 | 179 | -69.5 | -164.3 | -79.7 | -176.7 | -6.2 | 114.2 | N1492 S1493 | N1492-R1495 PolarHBondContact O-N 2.81Å; N1492-R1495 PolarHBondContact OD1-NH2 3.31Å; S1493-R1495 VanDerWaalsContact C-N 3.31Å; S1493-R1495 PolarHBondContact O-N 3.44Å |
| 1496 | K | 39.3 | Very low | 42.2 | Very low | 192 Ų | 192 | 124.3 Ų | 124.3 | 84% | 0.835 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.5 | 12.2 | -178.7 | -80.9 | -169.1 | 175.2 | -177.1 | 0 | 116.8 | L1494 | L1494-K1496 PolarHBondContact O-N 3.32Š|
| 1497 | L | 37.2 | Very low | 44.1 | Very low | 120 Ų | 120 | 119.3 Ų | 119.3 | 63% | 0.628 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -83.3 | 135.8 | 146.5 | -123.8 | 72.6 | 0 | 0 | 0 | 107.7 | L1499 F1502 | L1497-L1499 PolarHBondContact O-N 2.85Å; L1497-F1502 HydrophobicContact CD2-CE2 3.95Å |
| 1498 | P | 44.2 | Very low | 46.3 | Very low | 76 Ų | 76 | 117 Ų | 117 | 49% | 0.494 | 63% | 0.625 | S | S | . | * | trans | -63.8 | 125.3 | -176.1 | -20.6 | 31.8 | 0 | 0 | 0 | 110.9 | A1500 V1501 | P1498-A1500 HydrophobicContact CB-CB 4.47Å; P1498-A1500 PolarHBondContact O-N 3.28Å; P1498-A1500 VanDerWaalsContact O-N 3.1Å; P1498-V1501 HydrophobicContact CB-CG2 4.14Å; P1498-V1501 HydrophobicContact CG-CG2 4.28Å; P1498-V1501 PolarHBondContact O-N 2.92Å | ||
| 1499 | L | 45.6 | Very low | 48.5 | Very low | 152 Ų | 152 | 117.4 Ų | 117.4 | 80% | 0.796 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -56.8 | -28.9 | 176.1 | -158.2 | 75 | 0 | 0 | 0 | 111.5 | L1497 V1501 F1502 L1503 | L1497-L1499 PolarHBondContact O-N 2.85Å; L1499-V1501 PolarHBondContact O-N 2.98Å; L1499-F1502 PolarHBondContact O-N 2.88Å; L1499-L1503 WeakPolarHBondContact O-CB 3.48Å; L1499-L1503 PolarHBondContact O-N 3.27Å |
| 1500 | A | 49.6 | Very low | 50.6 | Low | 64 Ų | 64 | 115.5 Ų | 115.5 | 53% | 0.529 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -54.6 | -43.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | P1498 F1502 L1503 E1504 | P1498-A1500 HydrophobicContact CB-CB 4.47Å; P1498-A1500 PolarHBondContact O-N 3.28Å; P1498-A1500 VanDerWaalsContact O-N 3.1Å; A1500-F1502 PolarHBondContact O-N 2.86Å; A1500-L1503 PolarHBondContact O-N 3.42Å; A1500-E1504 WeakPolarHBondContact O-CB 3.47Å; A1500-E1504 PolarHBondContact O-N 2.91Å |
| 1501 | V | 57.9 | Low | 52.9 | Low | 59 Ų | 59 | 116.9 Ų | 116.9 | 36% | 0.358 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -69.4 | -34.7 | -179 | 174.7 | 0 | 0 | 0 | 0 | 111.2 | P1498 L1499 N1505 | P1498-V1501 HydrophobicContact CB-CG2 4.14Å; P1498-V1501 HydrophobicContact CG-CG2 4.28Å; P1498-V1501 PolarHBondContact O-N 2.92Å; L1499-V1501 PolarHBondContact O-N 2.98Å; V1501-N1505 WeakPolarHBondContact CG1-ND2 3.05Å; V1501-N1505 VanDerWaalsContact O-CB 3.22Å; V1501-N1505 WeakPolarHBondContact O-CB 3.31Å; V1501-N1505 PolarHBondContact O-N 3.15Å; V1501-N1505 PolarHBondContact O-ND2 3.23Å |
| 1502 | F | 48.1 | Very low | 54.7 | Low | 131 Ų | 131 | 112.5 Ų | 112.5 | 58% | 0.575 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -69.8 | -36.8 | 171.5 | -91.4 | -80.2 | 0 | 0 | 0 | 112.1 | L1497 L1499 A1500 S1506 | L1497-F1502 HydrophobicContact CD2-CE2 3.95Å; L1499-F1502 PolarHBondContact O-N 2.88Å; A1500-F1502 PolarHBondContact O-N 2.86Å; F1502-S1506 WeakPolarHBondContact O-CB 3.45Å; F1502-S1506 PolarHBondContact O-N 2.78Å; F1502-S1506 VanDerWaalsContact O-N 3.08Å; F1502-S1506 PolarHBondContact O-OG 2.94Å |
| 1503 | L | 62.7 | Low | 56.6 | Low | 114 Ų | 114 | 112 Ų | 112 | 60% | 0.597 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -69 | -47.8 | 177.3 | -165.7 | 77.1 | 0 | 0 | 0 | 111.3 | L1499 A1500 S1506 I1507 | L1499-L1503 WeakPolarHBondContact O-CB 3.48Å; L1499-L1503 PolarHBondContact O-N 3.27Å; A1500-L1503 PolarHBondContact O-N 3.42Å; L1503-S1506 CarbonylContact O-C 3.6Å; L1503-S1506 WeakPolarHBondContact O-CA 3.36Å; L1503-S1506 WeakPolarHBondContact O-CB 3.38Å; L1503-S1506 PolarHBondContact O-N 3.32Å; L1503-I1507 HydrophobicContact CD2-CD1 4.4Å; L1503-I1507 HydrophobicContact CG-CD1 4.04Å; L1503-I1507 WeakPolarHBondContact O-CG1 3.47Å; L1503-I1507 PolarHBondContact O-N 3.11Å |
| 1504 | E | 67.7 | Low | 58.4 | Low | 117 Ų | 117 | 109.5 Ų | 109.5 | 55% | 0.547 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -60.3 | -48.4 | 177.7 | -176.3 | 172.9 | -161.2 | 0 | 0 | 111.4 | A1500 S1506 I1507 L1508 | A1500-E1504 WeakPolarHBondContact O-CB 3.47Å; A1500-E1504 PolarHBondContact O-N 2.91Å; E1504-S1506 PolarHBondContact O-N 2.8Å; E1504-I1507 PolarHBondContact O-N 3.22Å; E1504-L1508 HydrophobicContact CG-CD1 4.18Å; E1504-L1508 WeakPolarHBondContact O-CB 3.42Å; E1504-L1508 VanDerWaalsContact O-CG 3.29Å; E1504-L1508 WeakPolarHBondContact O-CG 3.15Å; E1504-L1508 PolarHBondContact O-N 3.37Å |
| 1505 | N | 61.6 | Low | 60.3 | Low | 95 Ų | 95 | 104.6 Ų | 104.6 | 51% | 0.508 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.8 | -30.3 | 172.7 | -75.6 | -41.5 | 0 | 0 | 0 | 112.7 | V1501 L1509 | V1501-N1505 WeakPolarHBondContact CG1-ND2 3.05Å; V1501-N1505 VanDerWaalsContact O-CB 3.22Å; V1501-N1505 WeakPolarHBondContact O-CB 3.31Å; V1501-N1505 PolarHBondContact O-N 3.15Å; V1501-N1505 PolarHBondContact O-ND2 3.23Å; N1505-L1509 WeakPolarHBondContact O-CB 3.32Å; N1505-L1509 PolarHBondContact O-N 2.74Å; N1505-L1509 VanDerWaalsContact O-N 3.11Å |
| 1506 | S | 68.7 | Low | 62.4 | Low | 72 Ų | 72 | 102.6 Ų | 102.6 | 50% | 0.503 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -75.4 | -38.4 | 176.9 | -56.9 | 0 | 0 | 0 | 0 | 112 | F1502 L1503 E1504 L1509 Q1510 | F1502-S1506 WeakPolarHBondContact O-CB 3.45Å; F1502-S1506 PolarHBondContact O-N 2.78Å; F1502-S1506 VanDerWaalsContact O-N 3.08Å; F1502-S1506 PolarHBondContact O-OG 2.94Å; L1503-S1506 CarbonylContact O-C 3.6Å; L1503-S1506 WeakPolarHBondContact O-CA 3.36Å; L1503-S1506 WeakPolarHBondContact O-CB 3.38Å; L1503-S1506 PolarHBondContact O-N 3.32Å; E1504-S1506 PolarHBondContact O-N 2.8Å; S1506-L1509 PolarHBondContact O-N 2.7Å; S1506-Q1510 PolarHBondContact O-N 3.17Å |
| 1507 | I | 67.5 | Low | 64 | Low | 83 Ų | 83 | 99.9 Ų | 99.9 | 43% | 0.426 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.4 | -48.9 | 174.4 | -69.1 | 162.6 | 0 | 0 | 0 | 109.7 | L1503 E1504 L1509 Q1510 E1511 | L1503-I1507 HydrophobicContact CD2-CD1 4.4Å; L1503-I1507 HydrophobicContact CG-CD1 4.04Å; L1503-I1507 WeakPolarHBondContact O-CG1 3.47Å; L1503-I1507 PolarHBondContact O-N 3.11Å; E1504-I1507 PolarHBondContact O-N 3.22Å; I1507-L1509 PolarHBondContact O-N 2.99Å; I1507-Q1510 CarbonylContact O-C 3.1Å; I1507-Q1510 WeakPolarHBondContact O-CA 3.38Å; I1507-Q1510 WeakPolarHBondContact O-CB 3.47Å; I1507-Q1510 PolarHBondContact O-N 3.03Å; I1507-E1511 HydrophobicContact CG2-CG 4.35Å; I1507-E1511 WeakPolarHBondContact CG2-OE1 3.47Å; I1507-E1511 WeakPolarHBondContact O-CG 3.45Å; I1507-E1511 PolarHBondContact O-N 3.17Å |
| 1508 | L | 75.7 | Confident | 65.9 | Low | 84 Ų | 84 | 99.2 Ų | 99.2 | 44% | 0.44 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.3 | -33.7 | 175.6 | -70.8 | 170.3 | 0 | 0 | 0 | 112.4 | E1504 L1512 | E1504-L1508 HydrophobicContact CG-CD1 4.18Å; E1504-L1508 WeakPolarHBondContact O-CB 3.42Å; E1504-L1508 VanDerWaalsContact O-CG 3.29Å; E1504-L1508 WeakPolarHBondContact O-CG 3.15Å; E1504-L1508 PolarHBondContact O-N 3.37Å; L1508-L1512 WeakPolarHBondContact O-CB 3.43Å; L1508-L1512 PolarHBondContact O-N 3.23Å |
| 1509 | L | 72.1 | Confident | 67.1 | Low | 110 Ų | 110 | 98.5 Ų | 98.5 | 58% | 0.576 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -72.5 | -34.3 | 174.4 | -147.9 | 75.8 | 0 | 0 | 0 | 112.5 | N1505 S1506 I1507 C1513 | N1505-L1509 WeakPolarHBondContact O-CB 3.32Å; N1505-L1509 PolarHBondContact O-N 2.74Å; N1505-L1509 VanDerWaalsContact O-N 3.11Å; S1506-L1509 PolarHBondContact O-N 2.7Å; I1507-L1509 PolarHBondContact O-N 2.99Å; L1509-C1513 WeakPolarHBondContact O-CB 3.38Å; L1509-C1513 PolarHBondContact O-N 2.98Å; L1509-C1513 PolarHBondContact O-SG 3.12Å |
| 1510 | Q | 76.5 | Confident | 68.3 | Low | 140 Ų | 140 | 93.5 Ų | 93.5 | 65% | 0.654 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69.5 | -44.9 | 174.6 | -175.9 | 64 | 34.7 | 0 | 0 | 111.4 | S1506 I1507 C1513 C1514 | S1506-Q1510 PolarHBondContact O-N 3.17Å; I1507-Q1510 CarbonylContact O-C 3.1Å; I1507-Q1510 WeakPolarHBondContact O-CA 3.38Å; I1507-Q1510 WeakPolarHBondContact O-CB 3.47Å; I1507-Q1510 PolarHBondContact O-N 3.03Å; Q1510-C1513 WeakPolarHBondContact O-CB 3.25Å; Q1510-C1513 PolarHBondContact O-N 2.97Å; Q1510-C1514 PolarHBondContact O-N 2.88Å |
| 1511 | E | 74.9 | Confident | 69.4 | Low | 102 Ų | 102 | 95.4 Ų | 95.4 | 48% | 0.477 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.7 | -45.4 | 173.7 | -71 | 175 | -179.9 | 0 | 0 | 111.2 | I1507 C1513 C1514 I1515 | I1507-E1511 HydrophobicContact CG2-CG 4.35Å; I1507-E1511 WeakPolarHBondContact CG2-OE1 3.47Å; I1507-E1511 WeakPolarHBondContact O-CG 3.45Å; I1507-E1511 PolarHBondContact O-N 3.17Å; E1511-C1513 VanDerWaalsContact C-N 3.28Å; E1511-C1513 PolarHBondContact O-N 3.17Å; E1511-C1514 WeakPolarHBondContact O-CB 3.39Å; E1511-C1514 PolarHBondContact O-N 3.14Å; E1511-C1514 VanDerWaalsContact O-N 3.14Å; E1511-I1515 WeakPolarHBondContact O-CG1 3.33Å; E1511-I1515 PolarHBondContact O-N 3.12Å |
| 1512 | L | 68.7 | Low | 70.7 | Confident | 94 Ų | 94 | 96.6 Ų | 96.6 | 49% | 0.492 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.8 | -32.7 | 175.5 | -178 | 63.4 | 0 | 0 | 0 | 112.6 | L1508 K1516 | L1508-L1512 WeakPolarHBondContact O-CB 3.43Å; L1508-L1512 PolarHBondContact O-N 3.23Å; L1512-K1516 WeakPolarHBondContact O-CB 3.31Å; L1512-K1516 PolarHBondContact O-N 2.87Å; L1512-K1516 VanDerWaalsContact O-N 3.17Å |
| 1513 | C | 68.8 | Low | 72.3 | Confident | 71 Ų | 71 | 97.9 Ų | 97.9 | 48% | 0.48 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.1 | -45.6 | 171.2 | -79.2 | 0 | 0 | 0 | 0 | 111.7 | L1509 Q1510 E1511 K1516 E1517 | L1509-C1513 WeakPolarHBondContact O-CB 3.38Å; L1509-C1513 PolarHBondContact O-N 2.98Å; L1509-C1513 PolarHBondContact O-SG 3.12Å; Q1510-C1513 WeakPolarHBondContact O-CB 3.25Å; Q1510-C1513 PolarHBondContact O-N 2.97Å; E1511-C1513 VanDerWaalsContact C-N 3.28Å; E1511-C1513 PolarHBondContact O-N 3.17Å; C1513-K1516 PolarHBondContact O-N 2.86Å; C1513-E1517 PolarHBondContact O-N 2.78Å |
| 1514 | C | 72.8 | Confident | 73.2 | Confident | 59 Ų | 59 | 97 Ų | 97 | 40% | 0.399 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.7 | -53.3 | 177.8 | -158 | 0 | 0 | 0 | 0 | 111.6 | Q1510 E1511 K1516 E1517 E1518 | Q1510-C1514 PolarHBondContact O-N 2.88Å; E1511-C1514 WeakPolarHBondContact O-CB 3.39Å; E1511-C1514 PolarHBondContact O-N 3.14Å; E1511-C1514 VanDerWaalsContact O-N 3.14Å; C1514-K1516 PolarHBondContact O-N 3.39Å; C1514-K1516 VanDerWaalsContact O-N 3.17Å; C1514-E1517 WeakPolarHBondContact O-CB 3.45Å; C1514-E1517 PolarHBondContact O-N 3.3Å; C1514-E1518 WeakPolarHBondContact O-CG 3.33Å; C1514-E1518 PolarHBondContact O-N 2.76Å; C1514-E1518 PolarHBondContact SG-OE1 2.97Å |
| 1515 | I | 75.5 | Confident | 73.9 | Confident | 66 Ų | 66 | 98.3 Ų | 98.3 | 34% | 0.338 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58 | -34.1 | 177.3 | -66.7 | 166.2 | 0 | 0 | 0 | 111.3 | E1511 C1519 | E1511-I1515 WeakPolarHBondContact O-CG1 3.33Å; E1511-I1515 PolarHBondContact O-N 3.12Å; I1515-C1519 WeakPolarHBondContact O-CB 3.22Å; I1515-C1519 PolarHBondContact O-N 2.88Å; I1515-C1519 PolarHBondContact O-SG 3.2Å |
| 1516 | K | 75.2 | Confident | 74.7 | Confident | 153 Ų | 153 | 97.3 Ų | 97.3 | 67% | 0.665 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -75.8 | -29.6 | 178.6 | -177 | 175.3 | 179.3 | 178.8 | 0 | 113.4 | L1512 C1513 C1514 A1520 | L1512-K1516 WeakPolarHBondContact O-CB 3.31Å; L1512-K1516 PolarHBondContact O-N 2.87Å; L1512-K1516 VanDerWaalsContact O-N 3.17Å; C1513-K1516 PolarHBondContact O-N 2.86Å; C1514-K1516 PolarHBondContact O-N 3.39Å; C1514-K1516 VanDerWaalsContact O-N 3.17Å; K1516-A1520 PolarHBondContact O-N 3.21Å |
| 1517 | E | 73 | Confident | 75.5 | Confident | 136 Ų | 136 | 99.5 Ų | 99.5 | 64% | 0.636 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -73.5 | -49.5 | 172.8 | -166.9 | 153.9 | -148 | 0 | 0 | 109.8 | C1513 C1514 C1519 A1520 D1521 | C1513-E1517 PolarHBondContact O-N 2.78Å; C1514-E1517 WeakPolarHBondContact O-CB 3.45Å; C1514-E1517 PolarHBondContact O-N 3.3Å; E1517-C1519 VanDerWaalsContact C-N 3.33Å; E1517-C1519 PolarHBondContact O-N 2.94Å; E1517-A1520 WeakPolarHBondContact O-CA 3.39Å; E1517-A1520 WeakPolarHBondContact O-CB 3.3Å; E1517-A1520 PolarHBondContact O-N 3.41Å; E1517-D1521 PolarHBondContact O-N 2.92Å |
| 1518 | E | 76.6 | Confident | 76.3 | Confident | 106 Ų | 106 | 100.4 Ų | 100.4 | 50% | 0.495 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -55.8 | -43.2 | 171.4 | -69.2 | 168 | -147.3 | 0 | 0 | 112.5 | C1514 A1520 D1521 L1522 | C1514-E1518 WeakPolarHBondContact O-CG 3.33Å; C1514-E1518 PolarHBondContact O-N 2.76Å; C1514-E1518 PolarHBondContact SG-OE1 2.97Å; E1518-A1520 VanDerWaalsContact C-N 3.26Å; E1518-A1520 PolarHBondContact O-N 3.41Å; E1518-D1521 PolarHBondContact O-N 3.1Å; E1518-L1522 VanDerWaalsContact O-CB 3.3Å; E1518-L1522 WeakPolarHBondContact O-CB 3.45Å; E1518-L1522 VanDerWaalsContact O-CG 3.31Å; E1518-L1522 WeakPolarHBondContact O-CG 3.25Å; E1518-L1522 PolarHBondContact O-N 2.85Å |
| 1519 | C | 69.1 | Low | 76.7 | Confident | 60 Ų | 60 | 100.8 Ų | 100.8 | 41% | 0.405 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69 | -18.3 | 174.7 | -76.5 | 0 | 0 | 0 | 0 | 114.1 | I1515 E1517 K1523 | I1515-C1519 WeakPolarHBondContact O-CB 3.22Å; I1515-C1519 PolarHBondContact O-N 2.88Å; I1515-C1519 PolarHBondContact O-SG 3.2Å; E1517-C1519 VanDerWaalsContact C-N 3.33Å; E1517-C1519 PolarHBondContact O-N 2.94Å; C1519-K1523 WeakPolarHBondContact O-CD 3.31Å; C1519-K1523 VanDerWaalsContact O-CG 3.28Å; C1519-K1523 WeakPolarHBondContact O-CG 3.47Å |
| 1520 | A | 70.9 | Confident | 77.2 | Confident | 47 Ų | 47 | 100.1 Ų | 100.1 | 39% | 0.388 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -81.5 | -48 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | K1516 E1517 E1518 L1522 K1523 I1524 | K1516-A1520 PolarHBondContact O-N 3.21Å; E1517-A1520 WeakPolarHBondContact O-CA 3.39Å; E1517-A1520 WeakPolarHBondContact O-CB 3.3Å; E1517-A1520 PolarHBondContact O-N 3.41Å; E1518-A1520 VanDerWaalsContact C-N 3.26Å; E1518-A1520 PolarHBondContact O-N 3.41Å; A1520-L1522 PolarHBondContact O-N 3.41Å; A1520-K1523 WeakPolarHBondContact O-CB 3.35Å; A1520-K1523 PolarHBondContact O-N 3.43Å; A1520-K1523 VanDerWaalsContact O-N 3.1Å; A1520-I1524 WeakPolarHBondContact O-CG1 3.38Å; A1520-I1524 PolarHBondContact O-N 3.44Å |
| 1521 | D | 74.1 | Confident | 77.4 | Confident | 104 Ų | 104 | 98.2 Ų | 98.2 | 56% | 0.556 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.3 | -40.4 | 178 | -78.6 | 1 | 0 | 0 | 0 | 112.2 | E1517 E1518 K1523 I1524 R1525 | E1517-D1521 PolarHBondContact O-N 2.92Å; E1518-D1521 PolarHBondContact O-N 3.1Å; D1521-K1523 VanDerWaalsContact C-N 3.3Å; D1521-K1523 PolarHBondContact O-N 3.02Å; D1521-I1524 PolarHBondContact O-N 3.4Å; D1521-R1525 WeakPolarHBondContact O-CB 3.44Å; D1521-R1525 PolarHBondContact O-N 3.43Å |
| 1522 | L | 85 | Confident | 77.8 | Confident | 84 Ų | 84 | 98.8 Ų | 98.8 | 44% | 0.44 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.7 | -38.1 | 172.4 | -77.8 | 167.4 | 0 | 0 | 0 | 112.1 | E1518 A1520 R1525 V1526 | E1518-L1522 VanDerWaalsContact O-CB 3.3Å; E1518-L1522 WeakPolarHBondContact O-CB 3.45Å; E1518-L1522 VanDerWaalsContact O-CG 3.31Å; E1518-L1522 WeakPolarHBondContact O-CG 3.25Å; E1518-L1522 PolarHBondContact O-N 2.85Å; A1520-L1522 PolarHBondContact O-N 3.41Å; L1522-R1525 PolarHBondContact O-N 3.23Å; L1522-V1526 WeakPolarHBondContact O-CB 3.4Å; L1522-V1526 VanDerWaalsContact O-CG2 3.29Å; L1522-V1526 WeakPolarHBondContact O-CG2 3.36Å; L1522-V1526 PolarHBondContact O-N 2.99Å |
| 1523 | K | 81.3 | Confident | 78.4 | Confident | 158 Ų | 158 | 99 Ų | 99 | 69% | 0.687 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -70.3 | -38.1 | 176.1 | -77.1 | 175.1 | -177.6 | 177.3 | 0 | 112.5 | C1519 A1520 D1521 V1526 Y1527 | C1519-K1523 WeakPolarHBondContact O-CD 3.31Å; C1519-K1523 VanDerWaalsContact O-CG 3.28Å; C1519-K1523 WeakPolarHBondContact O-CG 3.47Å; A1520-K1523 WeakPolarHBondContact O-CB 3.35Å; A1520-K1523 PolarHBondContact O-N 3.43Å; A1520-K1523 VanDerWaalsContact O-N 3.1Å; D1521-K1523 VanDerWaalsContact C-N 3.3Å; D1521-K1523 PolarHBondContact O-N 3.02Å; K1523-V1526 PolarHBondContact O-N 3.15Å; K1523-Y1527 WeakPolarHBondContact O-CB 3.49Å; K1523-Y1527 PolarHBondContact O-N 3.22Å |
| 1524 | I | 81.7 | Confident | 79 | Confident | 97 Ų | 97 | 99.8 Ų | 99.8 | 50% | 0.497 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 173.4 | -66.7 | 164.6 | 0 | 0 | 0 | 109.8 | A1520 D1521 Y1527 L1528 | A1520-I1524 WeakPolarHBondContact O-CG1 3.38Å; A1520-I1524 PolarHBondContact O-N 3.44Å; D1521-I1524 PolarHBondContact O-N 3.4Å; I1524-Y1527 PolarHBondContact O-N 2.81Å; I1524-L1528 HydrophobicContact CG2-CD1 3.99Å; I1524-L1528 WeakPolarHBondContact O-CG 3.5Å; I1524-L1528 PolarHBondContact O-N 2.71Å |
| 1525 | R | 81.7 | Confident | 79.3 | Confident | 144 Ų | 144 | 100.2 Ų | 100.2 | 54% | 0.543 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.4 | -39.3 | 177.9 | -169.6 | 165.8 | 68.8 | 126.2 | -1.8 | 112.7 | D1521 L1522 L1528 L1529 | D1521-R1525 WeakPolarHBondContact O-CB 3.44Å; D1521-R1525 PolarHBondContact O-N 3.43Å; L1522-R1525 PolarHBondContact O-N 3.23Å; R1525-L1528 PolarHBondContact O-N 2.96Å; R1525-L1529 HydrophobicContact CG-CD1 4.06Å; R1525-L1529 WeakPolarHBondContact O-CB 3.45Å; R1525-L1529 VanDerWaalsContact O-CG 3.29Å; R1525-L1529 WeakPolarHBondContact O-CG 3.34Å; R1525-L1529 PolarHBondContact O-N 3.47Å |
| 1526 | V | 79 | Confident | 79.7 | Confident | 74 Ų | 74 | 101.4 Ų | 101.4 | 45% | 0.448 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.1 | -49.1 | 173 | 168.1 | 0 | 0 | 0 | 0 | 111 | L1522 K1523 L1528 L1529 E1530 | L1522-V1526 WeakPolarHBondContact O-CB 3.4Å; L1522-V1526 VanDerWaalsContact O-CG2 3.29Å; L1522-V1526 WeakPolarHBondContact O-CG2 3.36Å; L1522-V1526 PolarHBondContact O-N 2.99Å; K1523-V1526 PolarHBondContact O-N 3.15Å; V1526-L1528 VanDerWaalsContact C-N 3.31Å; V1526-L1528 PolarHBondContact O-N 2.86Å; V1526-L1529 PolarHBondContact O-N 2.93Å; V1526-E1530 HydrophobicContact CG1-CG 4.2Å; V1526-E1530 WeakPolarHBondContact O-CB 3.33Å; V1526-E1530 WeakPolarHBondContact O-CG 3.37Å; V1526-E1530 PolarHBondContact O-N 3.35Å |
| 1527 | Y | 84.8 | Confident | 80.2 | Confident | 118 Ų | 118 | 101.6 Ų | 101.6 | 46% | 0.463 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.7 | -39.2 | 177.8 | 170.4 | -100.5 | 0 | 0 | 0 | 112.6 | K1523 I1524 K1531 D1631 | K1523-Y1527 WeakPolarHBondContact O-CB 3.49Å; K1523-Y1527 PolarHBondContact O-N 3.22Å; I1524-Y1527 PolarHBondContact O-N 2.81Å; Y1527-K1531 WeakPolarHBondContact O-CB 3.47Å; Y1527-K1531 PolarHBondContact O-N 2.99Å; Y1527-D1631 PolarHBondContact OH-OD2 3.07Å |
| 1528 | L | 84.8 | Confident | 80.3 | Confident | 101 Ų | 101 | 96.8 Ų | 96.8 | 53% | 0.529 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.3 | -47 | 174.3 | -74.1 | 167.5 | 0 | 0 | 0 | 112.3 | I1524 R1525 V1526 K1531 E1532 | I1524-L1528 HydrophobicContact CG2-CD1 3.99Å; I1524-L1528 WeakPolarHBondContact O-CG 3.5Å; I1524-L1528 PolarHBondContact O-N 2.71Å; R1525-L1528 PolarHBondContact O-N 2.96Å; V1526-L1528 VanDerWaalsContact C-N 3.31Å; V1526-L1528 PolarHBondContact O-N 2.86Å; L1528-K1531 PolarHBondContact O-N 2.84Å; L1528-E1532 WeakPolarHBondContact O-CB 3.34Å; L1528-E1532 PolarHBondContact O-N 3.22Å |
| 1529 | L | 85 | Confident | 80.7 | Confident | 92 Ų | 92 | 95.4 Ų | 95.4 | 48% | 0.482 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.5 | -34.8 | 178.8 | -72.6 | 169.7 | 0 | 0 | 0 | 112.7 | R1525 V1526 E1532 L1533 | R1525-L1529 HydrophobicContact CG-CD1 4.06Å; R1525-L1529 WeakPolarHBondContact O-CB 3.45Å; R1525-L1529 VanDerWaalsContact O-CG 3.29Å; R1525-L1529 WeakPolarHBondContact O-CG 3.34Å; R1525-L1529 PolarHBondContact O-N 3.47Å; V1526-L1529 PolarHBondContact O-N 2.93Å; L1529-E1532 PolarHBondContact O-N 2.75Å; L1529-L1533 WeakPolarHBondContact O-CB 3.4Å; L1529-L1533 PolarHBondContact O-N 3.27Å |
| 1530 | E | 81.7 | Confident | 81.3 | Confident | 97 Ų | 97 | 97.2 Ų | 97.2 | 45% | 0.453 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.8 | -37.3 | 174.6 | -72.4 | -177.8 | 149.9 | 0 | 0 | 111.4 | K331 V1526 H1534 | K331-E1530 IonicContact NZ-OE1 3.67Å; V1526-E1530 HydrophobicContact CG1-CG 4.2Å; V1526-E1530 WeakPolarHBondContact O-CB 3.33Å; V1526-E1530 WeakPolarHBondContact O-CG 3.37Å; V1526-E1530 PolarHBondContact O-N 3.35Å; E1530-H1534 WeakPolarHBondContact O-CB 3.46Å; E1530-H1534 PolarHBondContact O-N 3.06Å |
| 1531 | K | 81.1 | Confident | 81.9 | Confident | 99 Ų | 99 | 98.9 Ų | 98.9 | 43% | 0.43 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.8 | -42.4 | 172.4 | -175.9 | 166.4 | -174.6 | 158.8 | 0 | 112.7 | Y1527 L1528 H1534 S1535 | Y1527-K1531 WeakPolarHBondContact O-CB 3.47Å; Y1527-K1531 PolarHBondContact O-N 2.99Å; L1528-K1531 PolarHBondContact O-N 2.84Å; K1531-H1534 PolarHBondContact O-N 3.27Å; K1531-S1535 PolarHBondContact O-N 2.76Å |
| 1532 | E | 83.6 | Confident | 82 | Confident | 115 Ų | 115 | 96.6 Ų | 96.6 | 54% | 0.537 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.1 | -45.2 | 175.2 | -174.6 | 178.3 | 175.2 | 0 | 0 | 111.3 | L1528 L1529 H1534 S1535 N1536 | L1528-E1532 WeakPolarHBondContact O-CB 3.34Å; L1528-E1532 PolarHBondContact O-N 3.22Å; L1529-E1532 PolarHBondContact O-N 2.75Å; E1532-H1534 VanDerWaalsContact C-N 3.32Å; E1532-H1534 PolarHBondContact O-N 2.92Å; E1532-S1535 PolarHBondContact O-N 3.2Å; E1532-N1536 WeakPolarHBondContact O-CB 3.47Å; E1532-N1536 PolarHBondContact O-N 2.91Å; E1532-N1536 PolarHBondContact O-ND2 3.44Å |
| 1533 | L | 80.9 | Confident | 81.6 | Confident | 97 Ų | 97 | 96.9 Ų | 96.9 | 51% | 0.508 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.9 | -39.7 | 174.8 | -176.9 | 151.2 | 0 | 0 | 0 | 111.9 | L1529 R1537 | L1529-L1533 WeakPolarHBondContact O-CB 3.4Å; L1529-L1533 PolarHBondContact O-N 3.27Å; L1533-R1537 WeakPolarHBondContact O-CB 3.45Å; L1533-R1537 PolarHBondContact O-N 3.4Å |
| 1534 | H | 81.7 | Confident | 81.5 | Confident | 88 Ų | 88 | 90.5 Ų | 90.5 | 41% | 0.407 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.1 | -44.4 | 176.6 | -169.6 | 60.1 | 0 | 0 | 0 | 112.1 | E1530 K1531 E1532 R1537 L1538 | E1530-H1534 WeakPolarHBondContact O-CB 3.46Å; E1530-H1534 PolarHBondContact O-N 3.06Å; K1531-H1534 PolarHBondContact O-N 3.27Å; E1532-H1534 VanDerWaalsContact C-N 3.32Å; E1532-H1534 PolarHBondContact O-N 2.92Å; H1534-R1537 PolarHBondContact O-N 2.89Å; H1534-L1538 WeakPolarHBondContact NE2-CD1 3.13Å; H1534-L1538 WeakPolarHBondContact O-CG 3.11Å; H1534-L1538 PolarHBondContact O-N 3.36Å |
| 1535 | S | 78.6 | Confident | 81.3 | Confident | 69 Ų | 69 | 88.4 Ų | 88.4 | 48% | 0.483 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 175.7 | -171.6 | 0 | 0 | 0 | 0 | 112.6 | K1531 E1532 R1537 L1538 T1539 | K1531-S1535 PolarHBondContact O-N 2.76Å; E1532-S1535 PolarHBondContact O-N 3.2Å; S1535-R1537 VanDerWaalsContact C-N 3.33Å; S1535-R1537 PolarHBondContact O-N 3.22Å; S1535-L1538 PolarHBondContact O-N 3.37Å; S1535-T1539 PolarHBondContact O-N 2.94Å; S1535-T1539 PolarHBondContact O-OG1 3.39Å |
| 1536 | N | 83.1 | Confident | 81.1 | Confident | 90 Ų | 90 | 84 Ų | 84 | 48% | 0.481 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.8 | -34.3 | 173.7 | -77.8 | -40.3 | 0 | 0 | 0 | 112.5 | E1532 T1539 L1540 | E1532-N1536 WeakPolarHBondContact O-CB 3.47Å; E1532-N1536 PolarHBondContact O-N 2.91Å; E1532-N1536 PolarHBondContact O-ND2 3.44Å; N1536-T1539 WeakPolarHBondContact CA-OG1 3.5Å; N1536-T1539 PolarHBondContact O-OG1 2.96Å; N1536-T1539 VanDerWaalsContact O-OG1 3.14Å; N1536-L1540 WeakPolarHBondContact O-CB 3.47Å; N1536-L1540 PolarHBondContact O-N 2.83Å; N1536-L1540 VanDerWaalsContact O-N 3.08Å |
| 1537 | R | 85.8 | Confident | 80.8 | Confident | 157 Ų | 157 | 83.1 Ų | 83.1 | 59% | 0.592 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -68.1 | -47.5 | 174.4 | -170.1 | 170.6 | -174.4 | 157.5 | 2 | 111.9 | L1533 H1534 S1535 T1539 L1540 D1541 | L1533-R1537 WeakPolarHBondContact O-CB 3.45Å; L1533-R1537 PolarHBondContact O-N 3.4Å; H1534-R1537 PolarHBondContact O-N 2.89Å; S1535-R1537 VanDerWaalsContact C-N 3.33Å; S1535-R1537 PolarHBondContact O-N 3.22Å; R1537-T1539 VanDerWaalsContact C-N 3.33Å; R1537-T1539 PolarHBondContact O-N 2.95Å; R1537-L1540 WeakPolarHBondContact O-CB 3.49Å; R1537-L1540 PolarHBondContact O-N 3.25Å; R1537-L1540 VanDerWaalsContact O-N 3.13Å; R1537-D1541 PolarHBondContact O-N 3.02Å |
| 1538 | L | 75.4 | Confident | 80.4 | Confident | 36 Ų | 36 | 85.1 Ų | 85.1 | 19% | 0.188 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -61.8 | -36.9 | 178.4 | -75.8 | 161.5 | 0 | 0 | 0 | 113.2 | H1534 S1535 S1542 I1620 Q1624 | H1534-L1538 WeakPolarHBondContact NE2-CD1 3.13Å; H1534-L1538 WeakPolarHBondContact O-CG 3.11Å; H1534-L1538 PolarHBondContact O-N 3.36Å; S1535-L1538 PolarHBondContact O-N 3.37Å; L1538-S1542 PolarHBondContact O-N 3.31Å; L1538-S1542 PolarHBondContact O-OG 3.25Å; L1538-I1620 HydrophobicContact CD2-CG2 3.84Å; L1538-Q1624 HydrophobicContact CD1-CG 4.17Å |
| 1539 | T | 85.8 | Confident | 79.9 | Confident | 76 Ų | 76 | 82.5 Ų | 82.5 | 47% | 0.466 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -75.5 | -27.1 | 174.6 | 48.7 | 0 | 0 | 0 | 0 | 113.4 | S1535 N1536 R1537 S1542 R1543 | S1535-T1539 PolarHBondContact O-N 2.94Å; S1535-T1539 PolarHBondContact O-OG1 3.39Å; N1536-T1539 WeakPolarHBondContact CA-OG1 3.5Å; N1536-T1539 PolarHBondContact O-OG1 2.96Å; N1536-T1539 VanDerWaalsContact O-OG1 3.14Å; R1537-T1539 VanDerWaalsContact C-N 3.33Å; R1537-T1539 PolarHBondContact O-N 2.95Å; T1539-S1542 PolarHBondContact O-OG 3.24Å; T1539-R1543 VanDerWaalsContact O-CB 3.26Å; T1539-R1543 WeakPolarHBondContact O-CB 3.35Å; T1539-R1543 PolarHBondContact O-N 3.35Å; T1539-R1543 VanDerWaalsContact O-N 3.16Å |
| 1540 | L | 82 | Confident | 79.6 | Confident | 98 Ų | 98 | 84 Ų | 84 | 51% | 0.513 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -70.7 | -44.1 | 169.6 | -166.5 | 156.9 | 0 | 0 | 0 | 110.8 | N1536 R1537 R1543 A1544 | N1536-L1540 WeakPolarHBondContact O-CB 3.47Å; N1536-L1540 PolarHBondContact O-N 2.83Å; N1536-L1540 VanDerWaalsContact O-N 3.08Å; R1537-L1540 WeakPolarHBondContact O-CB 3.49Å; R1537-L1540 PolarHBondContact O-N 3.25Å; R1537-L1540 VanDerWaalsContact O-N 3.13Å; L1540-R1543 PolarHBondContact O-N 2.93Å; L1540-A1544 WeakPolarHBondContact O-CB 3.3Å; L1540-A1544 PolarHBondContact O-N 3Å |
| 1541 | D | 83.2 | Confident | 79.7 | Confident | 82 Ų | 82 | 85.3 Ų | 85.3 | 44% | 0.439 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.1 | -43.4 | 177.7 | -72.4 | -37.4 | 0 | 0 | 0 | 111.8 | R1537 R1543 A1544 V1545 | R1537-D1541 PolarHBondContact O-N 3.02Å; D1541-R1543 PolarHBondContact O-N 3.38Å; D1541-A1544 PolarHBondContact O-N 3.2Å; D1541-V1545 WeakPolarHBondContact O-CG2 3.23Å; D1541-V1545 PolarHBondContact O-N 2.94Å |
| 1542 | S | 75.4 | Confident | 79.4 | Confident | 56 Ų | 56 | 82.5 Ų | 82.5 | 39% | 0.392 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.3 | -36.8 | 175.5 | 74.1 | 0 | 0 | 0 | 0 | 112.8 | L1538 T1539 A1544 V1545 A1546 | L1538-S1542 PolarHBondContact O-N 3.31Å; L1538-S1542 PolarHBondContact O-OG 3.25Å; T1539-S1542 PolarHBondContact O-OG 3.24Å; S1542-A1544 VanDerWaalsContact C-N 3.34Å; S1542-V1545 PolarHBondContact O-N 3.03Å; S1542-A1546 PolarHBondContact O-N 3.44Å |
| 1543 | R | 77.2 | Confident | 79 | Confident | 90 Ų | 90 | 81.1 Ų | 81.1 | 34% | 0.34 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.8 | -36.7 | 171.6 | 179 | 168.3 | 161.9 | -177.9 | -10 | 111.9 | L313 S316 T1539 L1540 D1541 A1546 E1547 | L313-R1543 PolarHBondContact O-NH2 3.46Å; S316-R1543 PolarHBondContact OG-NH1 3.47Å; S316-R1543 PolarHBondContact OG-NH2 3.43Å; T1539-R1543 VanDerWaalsContact O-CB 3.26Å; T1539-R1543 WeakPolarHBondContact O-CB 3.35Å; T1539-R1543 PolarHBondContact O-N 3.35Å; T1539-R1543 VanDerWaalsContact O-N 3.16Å; L1540-R1543 PolarHBondContact O-N 2.93Å; D1541-R1543 PolarHBondContact O-N 3.38Å; R1543-A1546 PolarHBondContact O-N 3.35Å; R1543-E1547 WeakPolarHBondContact O-CB 3.35Å; R1543-E1547 PolarHBondContact O-N 2.93Å |
| 1544 | A | 79.5 | Confident | 78.8 | Confident | 25 Ų | 25 | 81.3 Ų | 81.3 | 21% | 0.207 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -71.3 | -27.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1540 D1541 S1542 R1548 | L1540-A1544 WeakPolarHBondContact O-CB 3.3Å; L1540-A1544 PolarHBondContact O-N 3Å; D1541-A1544 PolarHBondContact O-N 3.2Å; S1542-A1544 VanDerWaalsContact C-N 3.34Å; A1544-R1548 VanDerWaalsContact C-NH1 3.31Å; A1544-R1548 WeakPolarHBondContact O-CG 3.44Å; A1544-R1548 PolarHBondContact O-N 2.8Å; A1544-R1548 PolarHBondContact O-NH1 3.07Å |
| 1545 | V | 77.4 | Confident | 78.5 | Confident | 52 Ų | 52 | 81.3 Ų | 81.3 | 32% | 0.315 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -70.5 | -45.8 | 169 | 172 | 0 | 0 | 0 | 0 | 110.4 | D1541 S1542 E1547 R1548 A1549 A1613 | D1541-V1545 WeakPolarHBondContact O-CG2 3.23Å; D1541-V1545 PolarHBondContact O-N 2.94Å; S1542-V1545 PolarHBondContact O-N 3.03Å; V1545-E1547 VanDerWaalsContact C-N 3.33Å; V1545-E1547 PolarHBondContact O-N 3.27Å; V1545-R1548 PolarHBondContact O-N 3.47Å; V1545-A1549 PolarHBondContact O-N 2.82Å; V1545-A1613 HydrophobicContact CG1-CB 3.9Å |
| 1546 | A | 77.3 | Confident | 78.2 | Confident | 51 Ų | 51 | 79.7 Ų | 79.7 | 42% | 0.421 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.2 | -38.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1542 R1543 A1549 L1550 | S1542-A1546 PolarHBondContact O-N 3.44Å; R1543-A1546 PolarHBondContact O-N 3.35Å; A1546-A1549 PolarHBondContact O-N 3.38Å; A1546-L1550 WeakPolarHBondContact O-CG 3.28Å; A1546-L1550 PolarHBondContact O-N 2.8Å |
| 1547 | E | 72.4 | Confident | 77.9 | Confident | 57 Ų | 57 | 79.8 Ų | 79.8 | 27% | 0.266 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 174.6 | -170.9 | -177.8 | 137.9 | 0 | 0 | 112 | R1543 V1545 L1550 R1551 | R1543-E1547 WeakPolarHBondContact O-CB 3.35Å; R1543-E1547 PolarHBondContact O-N 2.93Å; V1545-E1547 VanDerWaalsContact C-N 3.33Å; V1545-E1547 PolarHBondContact O-N 3.27Å; E1547-L1550 PolarHBondContact O-N 3.24Å; E1547-R1551 PolarHBondContact O-N 2.95Å; E1547-R1551 IonicContact OE1-CZ 3.68Å; E1547-R1551 IonicContact OE1-NH1 3.58Å; E1547-R1551 PolarHBondContact OE1-NH1 2.8Å; E1547-R1551 IonicContact OE1-NH2 2.72Å; E1547-R1551 PolarHBondContact OE1-NH2 3.42Å |
| 1548 | R | 77 | Confident | 77.3 | Confident | 160 Ų | 160 | 75.1 Ų | 75.1 | 60% | 0.604 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -65.3 | -41.9 | 174.3 | -72 | 177.9 | -170.1 | 97.5 | -13.7 | 112.2 | A1544 V1545 L1550 R1551 A1552 | A1544-R1548 VanDerWaalsContact C-NH1 3.31Å; A1544-R1548 WeakPolarHBondContact O-CG 3.44Å; A1544-R1548 PolarHBondContact O-N 2.8Å; A1544-R1548 PolarHBondContact O-NH1 3.07Å; V1545-R1548 PolarHBondContact O-N 3.47Å; R1548-L1550 VanDerWaalsContact C-N 3.33Å; R1548-L1550 PolarHBondContact O-N 2.98Å; R1548-R1551 PolarHBondContact O-N 3.37Å; R1548-A1552 PolarHBondContact O-N 2.8Å |
| 1549 | A | 73.8 | Confident | 77.4 | Confident | 45 Ų | 45 | 77.9 Ų | 77.9 | 37% | 0.372 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.6 | -40.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1545 A1546 H1553 | V1545-A1549 PolarHBondContact O-N 2.82Å; A1546-A1549 PolarHBondContact O-N 3.38Å; A1549-H1553 WeakPolarHBondContact O-CB 3.37Å; A1549-H1553 PolarHBondContact O-N 2.96Å; A1549-H1553 VanDerWaalsContact O-N 3.14Å |
| 1550 | L | 79.2 | Confident | 76.5 | Confident | 123 Ų | 123 | 78.1 Ų | 78.1 | 64% | 0.644 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -67.3 | -40.2 | 174.5 | -71.7 | 171.6 | 0 | 0 | 0 | 112.6 | A1546 E1547 R1548 H1553 L1554 | A1546-L1550 WeakPolarHBondContact O-CG 3.28Å; A1546-L1550 PolarHBondContact O-N 2.8Å; E1547-L1550 PolarHBondContact O-N 3.24Å; R1548-L1550 VanDerWaalsContact C-N 3.33Å; R1548-L1550 PolarHBondContact O-N 2.98Å; L1550-H1553 PolarHBondContact O-N 3.35Å; L1550-L1554 WeakPolarHBondContact O-CB 3.35Å; L1550-L1554 PolarHBondContact O-N 3.48Å |
| 1551 | R | 82.7 | Confident | 75.7 | Confident | 126 Ų | 126 | 79 Ų | 79 | 48% | 0.475 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -58.9 | -52.8 | 172.9 | -77.7 | -166.3 | 179.5 | 98.9 | 13.4 | 111.7 | E1547 R1548 H1553 L1554 D1555 | E1547-R1551 PolarHBondContact O-N 2.95Å; E1547-R1551 IonicContact OE1-CZ 3.68Å; E1547-R1551 IonicContact OE1-NH1 3.58Å; E1547-R1551 PolarHBondContact OE1-NH1 2.8Å; E1547-R1551 IonicContact OE1-NH2 2.72Å; E1547-R1551 PolarHBondContact OE1-NH2 3.42Å; R1548-R1551 PolarHBondContact O-N 3.37Å; R1551-H1553 PolarHBondContact O-N 2.81Å; R1551-H1553 VanDerWaalsContact O-N 3.12Å; R1551-L1554 CarbonylContact O-C 3.54Å; R1551-L1554 WeakPolarHBondContact O-CA 3.42Å; R1551-L1554 WeakPolarHBondContact O-CB 3.34Å; R1551-L1554 PolarHBondContact O-N 2.8Å; R1551-D1555 VanDerWaalsContact O-CG 3.27Å; R1551-D1555 PolarHBondContact O-N 3.4Å; R1551-D1555 VanDerWaalsContact O-OD2 3.13Å |
| 1552 | A | 74.8 | Confident | 75 | Confident | 39 Ų | 39 | 79.4 Ų | 79.4 | 32% | 0.322 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -58.2 | -30.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1548 A1556 | R1548-A1552 PolarHBondContact O-N 2.8Å; A1552-A1556 WeakPolarHBondContact O-CB 3.32Å; A1552-A1556 PolarHBondContact O-N 2.65Å; A1552-A1556 VanDerWaalsContact O-N 3.13Å |
| 1553 | H | 76.4 | Confident | 74.2 | Confident | 87 Ų | 87 | 79.8 Ų | 79.8 | 40% | 0.403 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -75.2 | -30.4 | 175 | -148.3 | -49.3 | 0 | 0 | 0 | 113.2 | A1549 L1550 R1551 L1557 | A1549-H1553 WeakPolarHBondContact O-CB 3.37Å; A1549-H1553 PolarHBondContact O-N 2.96Å; A1549-H1553 VanDerWaalsContact O-N 3.14Å; L1550-H1553 PolarHBondContact O-N 3.35Å; R1551-H1553 PolarHBondContact O-N 2.81Å; R1551-H1553 VanDerWaalsContact O-N 3.12Å; H1553-L1557 VanDerWaalsContact CE1-CD1 3.42Å; H1553-L1557 WeakPolarHBondContact CE1-CD1 3.49Å; H1553-L1557 WeakPolarHBondContact O-CG 3.44Å; H1553-L1557 PolarHBondContact O-N 3.48Å |
| 1554 | L | 75.7 | Confident | 73.2 | Confident | 100 Ų | 100 | 81 Ų | 81 | 52% | 0.524 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -77.4 | -42 | 175.9 | -160 | 159.4 | 0 | 0 | 0 | 110.5 | L1550 R1551 A1556 L1557 I1558 | L1550-L1554 WeakPolarHBondContact O-CB 3.35Å; L1550-L1554 PolarHBondContact O-N 3.48Å; R1551-L1554 CarbonylContact O-C 3.54Å; R1551-L1554 WeakPolarHBondContact O-CA 3.42Å; R1551-L1554 WeakPolarHBondContact O-CB 3.34Å; R1551-L1554 PolarHBondContact O-N 2.8Å; L1554-A1556 VanDerWaalsContact C-N 3.32Å; L1554-A1556 PolarHBondContact O-N 3.13Å; L1554-L1557 PolarHBondContact O-N 3.12Å; L1554-L1557 VanDerWaalsContact O-N 3.14Å; L1554-I1558 HydrophobicContact CD2-CD1 3.54Å; L1554-I1558 HydrophobicContact CD2-CG1 4.11Å; L1554-I1558 WeakPolarHBondContact O-CG1 3.04Å; L1554-I1558 PolarHBondContact O-N 3.28Å |
| 1555 | D | 76 | Confident | 72.1 | Confident | 89 Ų | 89 | 84.4 Ų | 84.4 | 48% | 0.476 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -58.7 | -43.2 | 172.4 | -60.5 | -37.2 | 0 | 0 | 0 | 111.1 | R1551 L1557 I1558 I1559 | R1551-D1555 VanDerWaalsContact O-CG 3.27Å; R1551-D1555 PolarHBondContact O-N 3.4Å; R1551-D1555 VanDerWaalsContact O-OD2 3.13Å; D1555-L1557 VanDerWaalsContact C-N 3.34Å; D1555-L1557 PolarHBondContact O-N 3.28Å; D1555-I1558 PolarHBondContact O-N 3.27Å; D1555-I1559 VanDerWaalsContact O-CG1 3.32Å; D1555-I1559 WeakPolarHBondContact O-CG1 3.34Å; D1555-I1559 PolarHBondContact O-N 3.24Å |
| 1556 | A | 72.3 | Confident | 71 | Confident | 34 Ų | 34 | 84.6 Ų | 84.6 | 28% | 0.281 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.9 | -40.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1552 L1554 I1559 E1560 | A1552-A1556 WeakPolarHBondContact O-CB 3.32Å; A1552-A1556 PolarHBondContact O-N 2.65Å; A1552-A1556 VanDerWaalsContact O-N 3.13Å; L1554-A1556 VanDerWaalsContact C-N 3.32Å; L1554-A1556 PolarHBondContact O-N 3.13Å; A1556-I1559 PolarHBondContact O-N 3.21Å; A1556-E1560 PolarHBondContact O-N 3.05Å |
| 1557 | L | 75.5 | Confident | 70 | Confident | 92 Ų | 92 | 87 Ų | 87 | 48% | 0.482 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -68.5 | -37 | 175.8 | -74.7 | 166.4 | 0 | 0 | 0 | 112.3 | H1553 L1554 D1555 E1560 Q1561 | H1553-L1557 VanDerWaalsContact CE1-CD1 3.42Å; H1553-L1557 WeakPolarHBondContact CE1-CD1 3.49Å; H1553-L1557 WeakPolarHBondContact O-CG 3.44Å; H1553-L1557 PolarHBondContact O-N 3.48Å; L1554-L1557 PolarHBondContact O-N 3.12Å; L1554-L1557 VanDerWaalsContact O-N 3.14Å; D1555-L1557 VanDerWaalsContact C-N 3.34Å; D1555-L1557 PolarHBondContact O-N 3.28Å; L1557-E1560 PolarHBondContact O-N 3.42Å; L1557-Q1561 WeakPolarHBondContact O-CB 3.11Å; L1557-Q1561 PolarHBondContact O-N 3.41Å |
| 1558 | I | 75 | Confident | 68.9 | Low | 59 Ų | 59 | 89.2 Ų | 89.2 | 30% | 0.303 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 173.1 | -71.3 | 172.3 | 0 | 0 | 0 | 110.6 | L1554 D1555 Q1561 N1562 | L1554-I1558 HydrophobicContact CD2-CD1 3.54Å; L1554-I1558 HydrophobicContact CD2-CG1 4.11Å; L1554-I1558 WeakPolarHBondContact O-CG1 3.04Å; L1554-I1558 PolarHBondContact O-N 3.28Å; D1555-I1558 PolarHBondContact O-N 3.27Å; I1558-Q1561 PolarHBondContact O-N 3.38Å; I1558-N1562 WeakPolarHBondContact O-CB 3.41Å; I1558-N1562 PolarHBondContact O-N 2.85Å; I1558-N1562 PolarHBondContact O-ND2 2.97Å |
| 1559 | I | 75.6 | Confident | 67.5 | Low | 95 Ų | 95 | 87.2 Ų | 87.2 | 49% | 0.487 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.7 | -40.3 | 176.4 | -68.7 | 163.8 | 0 | 0 | 0 | 111 | D1555 A1556 N1563 | D1555-I1559 VanDerWaalsContact O-CG1 3.32Å; D1555-I1559 WeakPolarHBondContact O-CG1 3.34Å; D1555-I1559 PolarHBondContact O-N 3.24Å; A1556-I1559 PolarHBondContact O-N 3.21Å; I1559-N1563 PolarHBondContact O-N 3.28Å; I1559-N1563 VanDerWaalsContact O-N 3.14Å; I1559-N1563 PolarHBondContact O-ND2 3.11Å |
| 1560 | E | 68.1 | Low | 66.2 | Low | 80 Ų | 80 | 91.9 Ų | 91.9 | 37% | 0.374 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.5 | -47.2 | 175.2 | -164.5 | -177.1 | 149.4 | 0 | 0 | 111.5 | A1556 L1557 N1562 N1563 Q1564 | A1556-E1560 PolarHBondContact O-N 3.05Å; L1557-E1560 PolarHBondContact O-N 3.42Å; E1560-N1562 PolarHBondContact O-N 3.39Å; E1560-N1563 PolarHBondContact O-N 3.06Å; E1560-N1563 VanDerWaalsContact O-N 3.14Å; E1560-Q1564 WeakPolarHBondContact O-CG 3.29Å; E1560-Q1564 PolarHBondContact O-N 2.82Å; E1560-Q1564 PolarHBondContact OE1-NE2 3.17Å; E1560-Q1564 VanDerWaalsContact OE1-NE2 3.13Å |
| 1561 | Q | 64.6 | Low | 64.6 | Low | 118 Ų | 118 | 90.7 Ų | 90.7 | 55% | 0.551 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -63.1 | -40.2 | -179.8 | -168.8 | -179.8 | 9.7 | 0 | 0 | 112.4 | L1557 I1558 N1563 Q1564 Q1565 | L1557-Q1561 WeakPolarHBondContact O-CB 3.11Å; L1557-Q1561 PolarHBondContact O-N 3.41Å; I1558-Q1561 PolarHBondContact O-N 3.38Å; Q1561-N1563 VanDerWaalsContact C-N 3.33Å; Q1561-N1563 PolarHBondContact O-N 2.9Å; Q1561-Q1564 PolarHBondContact O-N 2.54Å; Q1561-Q1565 WeakPolarHBondContact O-CG 3.37Å; Q1561-Q1565 PolarHBondContact O-N 3.24Å; Q1561-Q1565 VanDerWaalsContact O-N 3.14Å |
| 1562 | N | 68 | Low | 62.6 | Low | 89 Ų | 89 | 88.9 Ų | 88.9 | 48% | 0.476 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.5 | -34.9 | 174.7 | -77.4 | -28.9 | 0 | 0 | 0 | 112.2 | I1558 E1560 Q1565 S1566 | I1558-N1562 WeakPolarHBondContact O-CB 3.41Å; I1558-N1562 PolarHBondContact O-N 2.85Å; I1558-N1562 PolarHBondContact O-ND2 2.97Å; E1560-N1562 PolarHBondContact O-N 3.39Å; N1562-Q1565 PolarHBondContact O-N 3.31Å; N1562-S1566 PolarHBondContact O-N 3.37Å |
| 1563 | N | 58.8 | Low | 60.8 | Low | 64 Ų | 64 | 91.1 Ų | 91.1 | 34% | 0.342 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -74.5 | -33.3 | 174.9 | -81.3 | -64.6 | 0 | 0 | 0 | 113.3 | I1559 E1560 Q1561 Q1565 S1566 I1567 | I1559-N1563 PolarHBondContact O-N 3.28Å; I1559-N1563 VanDerWaalsContact O-N 3.14Å; I1559-N1563 PolarHBondContact O-ND2 3.11Å; E1560-N1563 PolarHBondContact O-N 3.06Å; E1560-N1563 VanDerWaalsContact O-N 3.14Å; Q1561-N1563 VanDerWaalsContact C-N 3.33Å; Q1561-N1563 PolarHBondContact O-N 2.9Å; N1563-Q1565 VanDerWaalsContact C-N 3.27Å; N1563-Q1565 PolarHBondContact O-N 2.82Å; N1563-S1566 PolarHBondContact O-N 3.04Å; N1563-S1566 PolarHBondContact O-OG 3.08Å; N1563-I1567 VanDerWaalsContact O-CG1 3.31Å; N1563-I1567 WeakPolarHBondContact O-CG1 3.4Å; N1563-I1567 PolarHBondContact O-N 2.85Å |
| 1564 | Q | 57.4 | Low | 59.2 | Low | 115 Ų | 115 | 92 Ų | 92 | 54% | 0.537 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.2 | -37.1 | 170.4 | -68.2 | -179.2 | 21 | 0 | 0 | 111.1 | E1560 Q1561 F1568 | E1560-Q1564 WeakPolarHBondContact O-CG 3.29Å; E1560-Q1564 PolarHBondContact O-N 2.82Å; E1560-Q1564 PolarHBondContact OE1-NE2 3.17Å; E1560-Q1564 VanDerWaalsContact OE1-NE2 3.13Å; Q1561-Q1564 PolarHBondContact O-N 2.54Å; Q1564-F1568 PolarHBondContact O-N 2.95Å; Q1564-F1568 VanDerWaalsContact O-N 3.17Å |
| 1565 | Q | 54.9 | Low | 57.5 | Low | 97 Ų | 97 | 92.8 Ų | 92.8 | 45% | 0.453 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.8 | -37.7 | 171.9 | -67.8 | 177.9 | 41.1 | 0 | 0 | 113.1 | Q1561 N1562 N1563 F1568 N1569 | Q1561-Q1565 WeakPolarHBondContact O-CG 3.37Å; Q1561-Q1565 PolarHBondContact O-N 3.24Å; Q1561-Q1565 VanDerWaalsContact O-N 3.14Å; N1562-Q1565 PolarHBondContact O-N 3.31Å; N1563-Q1565 VanDerWaalsContact C-N 3.27Å; N1563-Q1565 PolarHBondContact O-N 2.82Å; Q1565-F1568 PolarHBondContact O-N 3.05Å; Q1565-N1569 PolarHBondContact O-N 2.68Å; Q1565-N1569 PolarHBondContact O-ND2 2.8Å |
| 1566 | S | 54.5 | Low | 55.5 | Low | 56 Ų | 56 | 94.3 Ų | 94.3 | 39% | 0.392 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.4 | -39.8 | 177.7 | 80.8 | 0 | 0 | 0 | 0 | 111.9 | N1562 N1563 F1568 N1569 H1570 | N1562-S1566 PolarHBondContact O-N 3.37Å; N1563-S1566 PolarHBondContact O-N 3.04Å; N1563-S1566 PolarHBondContact O-OG 3.08Å; S1566-F1568 VanDerWaalsContact C-N 3.35Å; S1566-F1568 PolarHBondContact O-N 2.85Å; S1566-N1569 PolarHBondContact O-N 2.75Å; S1566-H1570 PolarHBondContact O-N 3.3Å |
| 1567 | I | 56.4 | Low | 53.5 | Low | 101 Ų | 101 | 101.3 Ų | 101.3 | 52% | 0.518 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 173.6 | -68.1 | 164.8 | 0 | 0 | 0 | 111.1 | N1563 H1570 N1571 | N1563-I1567 VanDerWaalsContact O-CG1 3.31Å; N1563-I1567 WeakPolarHBondContact O-CG1 3.4Å; N1563-I1567 PolarHBondContact O-N 2.85Å; I1567-H1570 PolarHBondContact O-N 3.14Å; I1567-N1571 PolarHBondContact O-N 2.97Å; I1567-N1571 VanDerWaalsContact O-N 3.16Å; I1567-N1571 PolarHBondContact O-ND2 3.02Å |
| 1568 | F | 50.2 | Low | 51.4 | Low | 105 Ų | 105 | 105.7 Ų | 105.7 | 46% | 0.461 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.3 | -44.9 | 176.4 | -143 | -93 | 0 | 0 | 0 | 111.7 | Q1564 Q1565 S1566 H1570 N1571 H1572 | Q1564-F1568 PolarHBondContact O-N 2.95Å; Q1564-F1568 VanDerWaalsContact O-N 3.17Å; Q1565-F1568 PolarHBondContact O-N 3.05Å; S1566-F1568 VanDerWaalsContact C-N 3.35Å; S1566-F1568 PolarHBondContact O-N 2.85Å; F1568-H1570 PolarHBondContact O-N 3.43Å; F1568-N1571 PolarHBondContact O-N 3.49Å; F1568-H1572 PolarHBondContact O-N 2.94Å |
| 1569 | N | 47.2 | Very low | 49.3 | Very low | 118 Ų | 118 | 110.1 Ų | 110.1 | 63% | 0.631 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.8 | -36.5 | 176.3 | -75 | -33.6 | 0 | 0 | 0 | 113 | Q1565 S1566 H1572 | Q1565-N1569 PolarHBondContact O-N 2.68Å; Q1565-N1569 PolarHBondContact O-ND2 2.8Å; S1566-N1569 PolarHBondContact O-N 2.75Å; N1569-H1572 PolarHBondContact O-N 3.17Å |
| 1570 | H | 47.7 | Very low | 47.2 | Very low | 142 Ų | 142 | 114.7 Ų | 114.7 | 66% | 0.657 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68.8 | -40 | 179.6 | -139.2 | 65 | 0 | 0 | 0 | 112.1 | S1566 I1567 F1568 H1572 S1573 | S1566-H1570 PolarHBondContact O-N 3.3Å; I1567-H1570 PolarHBondContact O-N 3.14Å; F1568-H1570 PolarHBondContact O-N 3.43Å; H1570-H1572 VanDerWaalsContact C-N 3.27Å; H1570-H1572 PolarHBondContact O-N 2.97Å; H1570-S1573 PolarHBondContact O-N 3.4Å |
| 1571 | N | 44.3 | Very low | 45.4 | Very low | 99 Ų | 99 | 117.1 Ų | 117.1 | 53% | 0.529 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -63.7 | -31.2 | 175.7 | -75.1 | -45.2 | 0 | 0 | 0 | 112.9 | I1567 F1568 S1573 | I1567-N1571 PolarHBondContact O-N 2.97Å; I1567-N1571 VanDerWaalsContact O-N 3.16Å; I1567-N1571 PolarHBondContact O-ND2 3.02Å; F1568-N1571 PolarHBondContact O-N 3.49Å; N1571-S1573 VanDerWaalsContact C-N 3.26Å; N1571-S1573 PolarHBondContact O-N 2.8Å |
| 1572 | H | 41.3 | Very low | 43.7 | Very low | 88 Ų | 88 | 117.8 Ų | 117.8 | 41% | 0.407 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -72.6 | -16.9 | -180 | -143.3 | -44.4 | 0 | 0 | 0 | 113.9 | F1568 N1569 H1570 | F1568-H1572 PolarHBondContact O-N 2.94Å; N1569-H1572 PolarHBondContact O-N 3.17Å; H1570-H1572 VanDerWaalsContact C-N 3.27Å; H1570-H1572 PolarHBondContact O-N 2.97Å |
| 1573 | S | 36.3 | Very low | 42.2 | Very low | 85 Ų | 85 | 118.7 Ų | 118.7 | 59% | 0.594 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -86 | -22.7 | -179.7 | -161 | 0 | 0 | 0 | 0 | 113.8 | H1570 N1571 V1575 | H1570-S1573 PolarHBondContact O-N 3.4Å; N1571-S1573 VanDerWaalsContact C-N 3.26Å; N1571-S1573 PolarHBondContact O-N 2.8Å; S1573-V1575 VanDerWaalsContact C-N 3.3Å; S1573-V1575 PolarHBondContact O-N 3.32Å |
| 1574 | I | 43.7 | Very low | 40.9 | Very low | 107 Ų | 107 | 121 Ų | 121 | 55% | 0.549 | 64% | 0.642 | S | S | . | * | G | 310 helix | trans | -74.4 | -17.9 | -171.8 | -66.7 | 172.3 | 0 | 0 | 0 | 113 | T1576 | I1574-T1576 VanDerWaalsContact C-N 3.31Å; I1574-T1576 PolarHBondContact O-N 2.91Å |
| 1575 | V | 40.3 | Very low | 39.9 | Very low | 116 Ų | 116 | 121.6 Ų | 121.6 | 70% | 0.703 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -76.4 | -16.2 | -175.1 | -176.3 | 0 | 0 | 0 | 0 | 113.1 | S1573 | S1573-V1575 VanDerWaalsContact C-N 3.3Å; S1573-V1575 PolarHBondContact O-N 3.32Å |
| 1576 | T | 34.3 | Very low | 39.2 | Very low | 121 Ų | 121 | 123.4 Ų | 123.4 | 74% | 0.742 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -99.4 | -4.7 | -163.7 | -17.9 | 0 | 0 | 0 | 0 | 116 | I1574 | I1574-T1576 VanDerWaalsContact C-N 3.31Å; I1574-T1576 PolarHBondContact O-N 2.91Å |
| 1577 | E | 30 | Very low | 38.6 | Very low | 180 Ų | 180 | 127.5 Ų | 127.5 | 84% | 0.841 | 67% | 0.673 | S | S | * | * | trans | -133 | 47 | -168.4 | -150.6 | 167.6 | -141.3 | 0 | 0 | 115.9 | N1579 | E1577-N1579 PolarHBondContact O-N 2.91Š| ||
| 1578 | F | 31.2 | Very low | 37.9 | Very low | 184 Ų | 184 | 126.5 Ų | 126.5 | 81% | 0.807 | 68% | 0.675 | S | S | * | * | trans | -92.7 | 70.9 | 169 | -96.4 | -82.6 | 0 | 0 | 0 | 112.9 | ||||
| 1579 | N | 30.1 | Very low | 37.6 | Very low | 152 Ų | 152 | 126.7 Ų | 126.7 | 81% | 0.813 | 68% | 0.68 | S | S | * | * | trans | -163.5 | 59.8 | 164.7 | -112.7 | -42.7 | 0 | 0 | 0 | 117.7 | E1577 | E1577-N1579 PolarHBondContact O-N 2.91Š| ||
| 1580 | K | 31.3 | Very low | 37.5 | Very low | 191 Ų | 191 | 128 Ų | 128 | 83% | 0.83 | 68% | 0.682 | S | S | * | * | S | Bend | trans | 174.6 | 140.5 | 132.3 | -95.7 | 153.4 | -171.5 | 172.3 | 0 | 114.9 | ||
| 1581 | T | 30.6 | Very low | 37.4 | Very low | 132 Ų | 132 | 126.7 Ų | 126.7 | 81% | 0.81 | 68% | 0.68 | S | S | * | * | trans | 52.1 | 107.1 | 154.3 | 50.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1582 | T | 29.7 | Very low | 37.7 | Very low | 131 Ų | 131 | 126.6 Ų | 126.6 | 80% | 0.804 | 68% | 0.682 | S | S | * | * | trans | -47 | 166.4 | 153.7 | 43.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1583 | P | 36.1 | Very low | 38.1 | Very low | 109 Ų | 109 | 126.7 Ų | 126.7 | 71% | 0.708 | 69% | 0.686 | S | S | * | * | cis | -141.2 | 133.6 | -13 | 30.6 | -8.9 | 0 | 0 | 0 | 116.5 | ||||
| 1584 | T | 32.5 | Very low | 38.9 | Very low | 113 Ų | 113 | 128.2 Ų | 128.2 | 69% | 0.693 | 68% | 0.683 | S | S | * | * | trans | -145.1 | 116.8 | 155.2 | -59.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1585 | I | 34.9 | Very low | 39.5 | Very low | 127 Ų | 127 | 128 Ų | 128 | 65% | 0.651 | 68% | 0.683 | S | S | * | * | trans | -118.2 | -9 | -176.7 | -71.7 | 176.9 | 0 | 0 | 0 | 113.1 | Q1587 | I1585-Q1587 PolarHBondContact O-N 3.45Š| ||
| 1586 | N | 40.6 | Very low | 40.3 | Very low | 135 Ų | 135 | 128 Ų | 128 | 72% | 0.722 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -86.7 | -2.9 | -171 | -69.7 | 5.4 | 0 | 0 | 0 | 115.8 | ||
| 1587 | Q | 42.1 | Very low | 41.7 | Very low | 142 Ų | 142 | 126.4 Ų | 126.4 | 66% | 0.664 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -99 | -25.2 | -176.3 | -77.3 | 177.9 | -43.3 | 0 | 0 | 114.5 | I1585 I1589 | I1585-Q1587 PolarHBondContact O-N 3.45Å; Q1587-I1589 PolarHBondContact O-N 2.87Å |
| 1588 | S | 42.3 | Very low | 43.4 | Very low | 80 Ų | 80 | 121.8 Ų | 121.8 | 56% | 0.559 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -70.2 | -30.8 | 179.5 | 48.6 | 0 | 0 | 0 | 0 | 113.4 | Q1590 | S1588-Q1590 PolarHBondContact O-N 3.11Å |
| 1589 | I | 43.6 | Very low | 44.9 | Very low | 109 Ų | 109 | 116.3 Ų | 116.3 | 56% | 0.559 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -72 | -27.7 | -175.9 | -59.7 | 175.8 | 0 | 0 | 0 | 112.2 | Q1587 | Q1587-I1589 PolarHBondContact O-N 2.87Å |
| 1590 | Q | 44.3 | Very low | 46.6 | Very low | 146 Ų | 146 | 113.4 Ų | 113.4 | 68% | 0.682 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -75.4 | -35 | 179.9 | -70.5 | -169.8 | -54.8 | 0 | 0 | 113.2 | S1588 V1592 N1593 H1594 | S1588-Q1590 PolarHBondContact O-N 3.11Å; Q1590-V1592 PolarHBondContact O-N 2.91Å; Q1590-N1593 PolarHBondContact O-N 3.28Å; Q1590-H1594 PolarHBondContact O-N 2.87Å |
| 1591 | N | 46.1 | Very low | 48.4 | Very low | 113 Ų | 113 | 113.4 Ų | 113.4 | 60% | 0.604 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -69.7 | -33.6 | -177.3 | -74.9 | 3.4 | 0 | 0 | 0 | 113 | H1594 N1595 | N1591-H1594 PolarHBondContact O-N 3.33Å; N1591-N1595 PolarHBondContact O-N 3.08Å; N1591-N1595 VanDerWaalsContact O-N 3.17Å |
| 1592 | V | 50.6 | Low | 50.4 | Low | 97 Ų | 97 | 108.7 Ų | 108.7 | 59% | 0.588 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -62 | -51.8 | 176 | -179.1 | 0 | 0 | 0 | 0 | 110.3 | Q1590 H1594 N1595 E1596 | Q1590-V1592 PolarHBondContact O-N 2.91Å; V1592-H1594 VanDerWaalsContact C-N 3.29Å; V1592-H1594 PolarHBondContact O-N 3.49Å; V1592-N1595 PolarHBondContact O-N 3.33Å; V1592-E1596 PolarHBondContact O-N 2.91Å |
| 1593 | N | 49.6 | Very low | 52.1 | Low | 90 Ų | 90 | 107.1 Ų | 107.1 | 48% | 0.481 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.2 | -32 | 178.7 | -69 | 15.8 | 0 | 0 | 0 | 112.6 | Q1590 I1597 | Q1590-N1593 PolarHBondContact O-N 3.28Å; N1593-I1597 WeakPolarHBondContact O-CB 3.41Å; N1593-I1597 WeakPolarHBondContact O-CD1 3.49Å; N1593-I1597 VanDerWaalsContact O-CG1 3.22Å; N1593-I1597 WeakPolarHBondContact O-CG1 3.39Å; N1593-I1597 PolarHBondContact O-N 3.48Å |
| 1594 | H | 53.5 | Low | 53.8 | Low | 117 Ų | 117 | 106 Ų | 106 | 54% | 0.542 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.3 | -42.9 | 178.9 | -155.9 | 75.8 | 0 | 0 | 0 | 111.8 | Q1590 N1591 V1592 E1596 I1597 V1598 | Q1590-H1594 PolarHBondContact O-N 2.87Å; N1591-H1594 PolarHBondContact O-N 3.33Å; V1592-H1594 VanDerWaalsContact C-N 3.29Å; V1592-H1594 PolarHBondContact O-N 3.49Å; H1594-E1596 PolarHBondContact O-N 3.02Å; H1594-I1597 PolarHBondContact O-N 3.04Å; H1594-V1598 WeakPolarHBondContact O-CG2 3.47Å; H1594-V1598 PolarHBondContact O-N 2.97Å |
| 1595 | N | 55.8 | Low | 55.8 | Low | 102 Ų | 102 | 105.4 Ų | 105.4 | 55% | 0.545 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.5 | -41.3 | 177.2 | -68.5 | -3.6 | 0 | 0 | 0 | 111.8 | N1591 V1592 V1598 L1599 | N1591-N1595 PolarHBondContact O-N 3.08Å; N1591-N1595 VanDerWaalsContact O-N 3.17Å; V1592-N1595 PolarHBondContact O-N 3.33Å; N1595-V1598 PolarHBondContact O-N 3.18Å; N1595-L1599 PolarHBondContact O-N 2.86Å |
| 1596 | E | 56.2 | Low | 57.5 | Low | 118 Ų | 118 | 102.4 Ų | 102.4 | 55% | 0.551 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.5 | -40.8 | 175.6 | -169.4 | 172.7 | -147.1 | 0 | 0 | 111.9 | V1592 H1594 V1598 L1599 L1600 | V1592-E1596 PolarHBondContact O-N 2.91Å; H1594-E1596 PolarHBondContact O-N 3.02Å; E1596-V1598 PolarHBondContact O-N 3.38Å; E1596-L1599 PolarHBondContact O-N 3.35Å; E1596-L1600 HydrophobicContact CG-CD1 4.18Å; E1596-L1600 WeakPolarHBondContact O-CB 3.44Å; E1596-L1600 VanDerWaalsContact O-CG 3.29Å; E1596-L1600 WeakPolarHBondContact O-CG 3.26Å; E1596-L1600 PolarHBondContact O-N 3.13Å |
| 1597 | I | 63.7 | Low | 59.2 | Low | 87 Ų | 87 | 100.2 Ų | 100.2 | 45% | 0.446 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.4 | -35.8 | 174.5 | -72.6 | 167.1 | 0 | 0 | 0 | 112.1 | N1593 H1594 R1601 | N1593-I1597 WeakPolarHBondContact O-CB 3.41Å; N1593-I1597 WeakPolarHBondContact O-CD1 3.49Å; N1593-I1597 VanDerWaalsContact O-CG1 3.22Å; N1593-I1597 WeakPolarHBondContact O-CG1 3.39Å; N1593-I1597 PolarHBondContact O-N 3.48Å; H1594-I1597 PolarHBondContact O-N 3.04Å; I1597-R1601 WeakPolarHBondContact O-CB 3.38Å; I1597-R1601 WeakPolarHBondContact O-CG 3.29Å; I1597-R1601 PolarHBondContact O-N 3.08Å |
| 1598 | V | 66.9 | Low | 60.7 | Low | 82 Ų | 82 | 98.7 Ų | 98.7 | 50% | 0.497 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.1 | -43.7 | 175.1 | 170 | 0 | 0 | 0 | 0 | 111 | H1594 N1595 E1596 R1601 G1602 | H1594-V1598 WeakPolarHBondContact O-CG2 3.47Å; H1594-V1598 PolarHBondContact O-N 2.97Å; N1595-V1598 PolarHBondContact O-N 3.18Å; E1596-V1598 PolarHBondContact O-N 3.38Å; V1598-R1601 PolarHBondContact O-N 2.59Å; V1598-G1602 PolarHBondContact O-N 2.83Å |
| 1599 | L | 61.4 | Low | 62.3 | Low | 69 Ų | 69 | 101.5 Ų | 101.5 | 36% | 0.361 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.2 | -49.1 | 172.9 | -96.6 | 153.2 | 0 | 0 | 0 | 112 | N1595 E1596 R1601 G1602 Q1603 | N1595-L1599 PolarHBondContact O-N 2.86Å; E1596-L1599 PolarHBondContact O-N 3.35Å; L1599-R1601 VanDerWaalsContact C-N 3.34Å; L1599-R1601 PolarHBondContact O-N 3.47Å; L1599-G1602 PolarHBondContact O-N 2.66Å; L1599-Q1603 WeakPolarHBondContact O-CG 3.5Å; L1599-Q1603 PolarHBondContact O-N 3.5Å |
| 1600 | L | 67.1 | Low | 63.6 | Low | 92 Ų | 92 | 98.6 Ų | 98.6 | 48% | 0.482 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.1 | -38.3 | 177.3 | -72.1 | 168.1 | 0 | 0 | 0 | 112.1 | E1596 V1604 | E1596-L1600 HydrophobicContact CG-CD1 4.18Å; E1596-L1600 WeakPolarHBondContact O-CB 3.44Å; E1596-L1600 VanDerWaalsContact O-CG 3.29Å; E1596-L1600 WeakPolarHBondContact O-CG 3.26Å; E1596-L1600 PolarHBondContact O-N 3.13Å; L1600-V1604 WeakPolarHBondContact O-CB 3.2Å; L1600-V1604 VanDerWaalsContact O-CG2 3.26Å; L1600-V1604 WeakPolarHBondContact O-CG2 3.42Å; L1600-V1604 PolarHBondContact O-N 2.9Å |
| 1601 | R | 68.9 | Low | 64.9 | Low | 190 Ų | 190 | 96.1 Ų | 96.1 | 72% | 0.717 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.8 | -42.2 | 172.8 | -84.2 | -178.7 | 165 | -167.9 | -4.6 | 112.6 | I1597 V1598 L1599 V1604 K1605 | I1597-R1601 WeakPolarHBondContact O-CB 3.38Å; I1597-R1601 WeakPolarHBondContact O-CG 3.29Å; I1597-R1601 PolarHBondContact O-N 3.08Å; V1598-R1601 PolarHBondContact O-N 2.59Å; L1599-R1601 VanDerWaalsContact C-N 3.34Å; L1599-R1601 PolarHBondContact O-N 3.47Å; R1601-V1604 PolarHBondContact O-N 3.43Å; R1601-K1605 WeakPolarHBondContact O-CB 3.28Å; R1601-K1605 PolarHBondContact O-N 2.89Å |
| 1602 | G | 73 | Confident | 66.3 | Low | 33 Ų | 33 | 95.5 Ų | 95.5 | 34% | 0.34 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.8 | -48.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1598 L1599 V1604 K1605 N1606 | V1598-G1602 PolarHBondContact O-N 2.83Å; L1599-G1602 PolarHBondContact O-N 2.66Å; G1602-V1604 PolarHBondContact O-N 2.96Å; G1602-K1605 PolarHBondContact O-N 3.18Å; G1602-N1606 PolarHBondContact O-N 2.82Å |
| 1603 | Q | 64.2 | Low | 67.5 | Low | 99 Ų | 99 | 92.1 Ų | 92.1 | 46% | 0.463 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.9 | -48.1 | 174.8 | -73.8 | -177.6 | -13.6 | 0 | 0 | 111.7 | L1599 K1605 N1606 L1607 | L1599-Q1603 WeakPolarHBondContact O-CG 3.5Å; L1599-Q1603 PolarHBondContact O-N 3.5Å; Q1603-K1605 PolarHBondContact O-N 2.65Å; Q1603-N1606 PolarHBondContact O-N 3.02Å; Q1603-L1607 VanDerWaalsContact O-CB 3.3Å; Q1603-L1607 WeakPolarHBondContact O-CB 3.46Å; Q1603-L1607 PolarHBondContact O-N 3.18Å |
| 1604 | V | 73.3 | Confident | 68.4 | Low | 84 Ų | 84 | 92.1 Ų | 92.1 | 51% | 0.509 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.6 | -40.3 | 177.9 | 168.1 | 0 | 0 | 0 | 0 | 112.1 | L1600 R1601 G1602 L1607 L1608 | L1600-V1604 WeakPolarHBondContact O-CB 3.2Å; L1600-V1604 VanDerWaalsContact O-CG2 3.26Å; L1600-V1604 WeakPolarHBondContact O-CG2 3.42Å; L1600-V1604 PolarHBondContact O-N 2.9Å; R1601-V1604 PolarHBondContact O-N 3.43Å; G1602-V1604 PolarHBondContact O-N 2.96Å; V1604-L1607 PolarHBondContact O-N 3.1Å; V1604-L1608 HydrophobicContact CG1-CD1 3.9Å; V1604-L1608 HydrophobicContact CG1-CG 4.39Å; V1604-L1608 WeakPolarHBondContact O-CB 3.22Å; V1604-L1608 VanDerWaalsContact O-CG 3.3Å; V1604-L1608 WeakPolarHBondContact O-CG 3.49Å; V1604-L1608 PolarHBondContact O-N 2.76Å |
| 1605 | K | 74 | Confident | 69.5 | Low | 101 Ų | 101 | 93.2 Ų | 93.2 | 44% | 0.439 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.2 | -44.7 | 178 | -164.8 | 173.9 | -171.1 | 170.6 | 0 | 111.4 | E63 R1601 G1602 Q1603 L1608 Q1609 | E63-K1605 IonicContact OE1-NZ 3.73Å; E63-K1605 PolarHBondContact OE1-NZ 2.95Å; E63-K1605 IonicContact OE2-NZ 2.93Å; E63-K1605 PolarHBondContact OE2-NZ 2.86Å; R1601-K1605 WeakPolarHBondContact O-CB 3.28Å; R1601-K1605 PolarHBondContact O-N 2.89Å; G1602-K1605 PolarHBondContact O-N 3.18Å; Q1603-K1605 PolarHBondContact O-N 2.65Å; K1605-L1608 PolarHBondContact O-N 3.29Å; K1605-Q1609 WeakPolarHBondContact O-CB 3.4Å; K1605-Q1609 PolarHBondContact O-N 3.3Å |
| 1606 | N | 70.7 | Confident | 70.4 | Confident | 65 Ų | 65 | 90.5 Ų | 90.5 | 35% | 0.348 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.3 | -38.3 | 176.3 | -70.7 | 1.8 | 0 | 0 | 0 | 112.2 | G1602 Q1603 Q1609 A1610 | G1602-N1606 PolarHBondContact O-N 2.82Å; Q1603-N1606 PolarHBondContact O-N 3.02Å; N1606-Q1609 PolarHBondContact O-N 2.89Å; N1606-A1610 WeakPolarHBondContact O-CB 3.37Å; N1606-A1610 PolarHBondContact O-N 2.77Å |
| 1607 | L | 75.3 | Confident | 71.2 | Confident | 89 Ų | 89 | 86.7 Ų | 86.7 | 47% | 0.466 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -70 | -38.6 | 178.9 | -147.9 | 160.4 | 0 | 0 | 0 | 111.2 | Q1603 V1604 A1610 L1611 | Q1603-L1607 VanDerWaalsContact O-CB 3.3Å; Q1603-L1607 WeakPolarHBondContact O-CB 3.46Å; Q1603-L1607 PolarHBondContact O-N 3.18Å; V1604-L1607 PolarHBondContact O-N 3.1Å; L1607-A1610 PolarHBondContact O-N 2.65Å; L1607-L1611 HydrophobicContact CD2-CD1 3.69Å; L1607-L1611 HydrophobicContact CD2-CG 4.09Å; L1607-L1611 WeakPolarHBondContact O-CB 3.5Å; L1607-L1611 VanDerWaalsContact O-CG 3.29Å; L1607-L1611 WeakPolarHBondContact O-CG 3.2Å; L1607-L1611 PolarHBondContact O-N 3.45Å |
| 1608 | L | 73.7 | Confident | 71.9 | Confident | 109 Ų | 109 | 86 Ų | 86 | 57% | 0.571 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -62.5 | -43.4 | 170 | -74.7 | 168.5 | 0 | 0 | 0 | 112.1 | V1604 K1605 L1611 E1612 | V1604-L1608 HydrophobicContact CG1-CD1 3.9Å; V1604-L1608 HydrophobicContact CG1-CG 4.39Å; V1604-L1608 WeakPolarHBondContact O-CB 3.22Å; V1604-L1608 VanDerWaalsContact O-CG 3.3Å; V1604-L1608 WeakPolarHBondContact O-CG 3.49Å; V1604-L1608 PolarHBondContact O-N 2.76Å; K1605-L1608 PolarHBondContact O-N 3.29Å; L1608-L1611 PolarHBondContact O-N 3.49Å; L1608-E1612 PolarHBondContact O-N 2.83Å |
| 1609 | Q | 77.2 | Confident | 72.5 | Confident | 139 Ų | 139 | 87.2 Ų | 87.2 | 65% | 0.65 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -68.1 | -35.1 | 178.4 | -167.2 | 166.9 | 8.3 | 0 | 0 | 112.3 | K1605 N1606 A1613 | K1605-Q1609 WeakPolarHBondContact O-CB 3.4Å; K1605-Q1609 PolarHBondContact O-N 3.3Å; N1606-Q1609 PolarHBondContact O-N 2.89Å; Q1609-A1613 WeakPolarHBondContact O-CB 3.33Å; Q1609-A1613 PolarHBondContact O-N 3.02Å |
| 1610 | A | 70.9 | Confident | 73.3 | Confident | 48 Ų | 48 | 87.7 Ų | 87.7 | 40% | 0.397 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.8 | -39.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N1606 L1607 A1613 L1614 | N1606-A1610 WeakPolarHBondContact O-CB 3.37Å; N1606-A1610 PolarHBondContact O-N 2.77Å; L1607-A1610 PolarHBondContact O-N 2.65Å; A1610-A1613 PolarHBondContact O-N 3.47Å; A1610-L1614 WeakPolarHBondContact O-CB 3.17Å; A1610-L1614 PolarHBondContact O-N 3.18Å |
| 1611 | L | 70.6 | Confident | 73.7 | Confident | 95 Ų | 95 | 89 Ų | 89 | 50% | 0.497 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66.9 | -40.4 | 175.4 | -76.3 | 168.5 | 0 | 0 | 0 | 112.4 | L1607 L1608 L1614 R1615 | L1607-L1611 HydrophobicContact CD2-CD1 3.69Å; L1607-L1611 HydrophobicContact CD2-CG 4.09Å; L1607-L1611 WeakPolarHBondContact O-CB 3.5Å; L1607-L1611 VanDerWaalsContact O-CG 3.29Å; L1607-L1611 WeakPolarHBondContact O-CG 3.2Å; L1607-L1611 PolarHBondContact O-N 3.45Å; L1608-L1611 PolarHBondContact O-N 3.49Å; L1611-L1614 PolarHBondContact O-N 3.4Å; L1611-R1615 VanDerWaalsContact O-CB 3.26Å; L1611-R1615 WeakPolarHBondContact O-CB 3.39Å; L1611-R1615 PolarHBondContact O-N 3.24Å |
| 1612 | E | 76.6 | Confident | 74.2 | Confident | 99 Ų | 99 | 86.2 Ų | 86.2 | 46% | 0.463 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -69.7 | -33.9 | 176.1 | -166 | 67.9 | 179.4 | 0 | 0 | 111.9 | L1608 R1615 S1616 | L1608-E1612 PolarHBondContact O-N 2.83Å; E1612-R1615 PolarHBondContact O-N 3.23Å; E1612-R1615 IonicContact OE1-CZ 3.46Å; E1612-R1615 IonicContact OE1-NH1 3.98Å; E1612-R1615 PolarHBondContact OE1-NH1 3.45Å; E1612-R1615 WeakPolarHBondContact OE2-CD 3.39Å; E1612-R1615 IonicContact OE2-CZ 2.77Å; E1612-R1615 IonicContact OE2-NH1 3.28Å; E1612-R1615 PolarHBondContact OE2-NH1 2.85Å; E1612-S1616 WeakPolarHBondContact O-CB 3.32Å; E1612-S1616 PolarHBondContact O-N 2.92Å; E1612-S1616 PolarHBondContact O-OG 3.47Å |
| 1613 | A | 75.3 | Confident | 74.7 | Confident | 27 Ų | 27 | 89.4 Ų | 89.4 | 22% | 0.223 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -65.7 | -38.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V1545 Q1609 A1610 S1616 S1617 | V1545-A1613 HydrophobicContact CG1-CB 3.9Å; Q1609-A1613 WeakPolarHBondContact O-CB 3.33Å; Q1609-A1613 PolarHBondContact O-N 3.02Å; A1610-A1613 PolarHBondContact O-N 3.47Å; A1613-S1616 WeakPolarHBondContact CA-OG 3.47Å; A1613-S1616 PolarHBondContact O-OG 3.4Å; A1613-S1617 WeakPolarHBondContact O-CB 3.22Å; A1613-S1617 PolarHBondContact O-N 3.46Å; A1613-S1617 VanDerWaalsContact O-N 3.08Å |
| 1614 | L | 68.2 | Low | 75.1 | Confident | 89 Ų | 89 | 88.3 Ų | 88.3 | 47% | 0.466 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -69.5 | -42.2 | 175.2 | -155.8 | 103.5 | 0 | 0 | 0 | 111.2 | A1610 L1611 S1617 T1618 | A1610-L1614 WeakPolarHBondContact O-CB 3.17Å; A1610-L1614 PolarHBondContact O-N 3.18Å; L1611-L1614 PolarHBondContact O-N 3.4Å; L1614-S1617 CarbonylContact O-C 3.53Å; L1614-S1617 WeakPolarHBondContact O-CB 3.42Å; L1614-S1617 PolarHBondContact O-N 3.3Å; L1614-T1618 PolarHBondContact O-N 2.9Å; L1614-T1618 PolarHBondContact O-OG1 2.86Å |
| 1615 | R | 76.1 | Confident | 75.2 | Confident | 140 Ų | 140 | 87.4 Ų | 87.4 | 53% | 0.528 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.9 | -49.8 | 177.6 | 176.5 | 176.1 | 162.8 | -129 | -11.5 | 111.8 | L1611 E1612 S1617 T1618 E1619 | L1611-R1615 VanDerWaalsContact O-CB 3.26Å; L1611-R1615 WeakPolarHBondContact O-CB 3.39Å; L1611-R1615 PolarHBondContact O-N 3.24Å; E1612-R1615 PolarHBondContact O-N 3.23Å; E1612-R1615 IonicContact OE1-CZ 3.46Å; E1612-R1615 IonicContact OE1-NH1 3.98Å; E1612-R1615 PolarHBondContact OE1-NH1 3.45Å; E1612-R1615 WeakPolarHBondContact OE2-CD 3.39Å; E1612-R1615 IonicContact OE2-CZ 2.77Å; E1612-R1615 IonicContact OE2-NH1 3.28Å; E1612-R1615 PolarHBondContact OE2-NH1 2.85Å; R1615-S1617 VanDerWaalsContact C-N 3.3Å; R1615-S1617 PolarHBondContact O-N 2.82Å; R1615-T1618 WeakPolarHBondContact CA-OG1 3.39Å; R1615-T1618 PolarHBondContact O-N 3.49Å; R1615-T1618 VanDerWaalsContact O-N 3.1Å; R1615-T1618 PolarHBondContact O-OG1 2.79Å; R1615-E1619 WeakPolarHBondContact O-CB 3.36Å; R1615-E1619 PolarHBondContact O-N 3.31Å |
| 1616 | S | 74.2 | Confident | 75.6 | Confident | 46 Ų | 46 | 88 Ų | 88 | 32% | 0.322 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.3 | -34.8 | 174.3 | 49.7 | 0 | 0 | 0 | 0 | 112.2 | E1612 A1613 E1619 I1620 | E1612-S1616 WeakPolarHBondContact O-CB 3.32Å; E1612-S1616 PolarHBondContact O-N 2.92Å; E1612-S1616 PolarHBondContact O-OG 3.47Å; A1613-S1616 WeakPolarHBondContact CA-OG 3.47Å; A1613-S1616 PolarHBondContact O-OG 3.4Å; S1616-E1619 PolarHBondContact O-N 3.5Å; S1616-I1620 WeakPolarHBondContact O-CB 3.02Å; S1616-I1620 VanDerWaalsContact O-CG1 3.28Å; S1616-I1620 WeakPolarHBondContact O-CG1 3.21Å; S1616-I1620 PolarHBondContact O-N 3.31Å |
| 1617 | S | 74.5 | Confident | 76.2 | Confident | 37 Ų | 37 | 89.9 Ų | 89.9 | 26% | 0.259 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.3 | -36.8 | 170.5 | -171.9 | 0 | 0 | 0 | 0 | 113.1 | A1613 L1614 R1615 Q1621 | A1613-S1617 WeakPolarHBondContact O-CB 3.22Å; A1613-S1617 PolarHBondContact O-N 3.46Å; A1613-S1617 VanDerWaalsContact O-N 3.08Å; L1614-S1617 CarbonylContact O-C 3.53Å; L1614-S1617 WeakPolarHBondContact O-CB 3.42Å; L1614-S1617 PolarHBondContact O-N 3.3Å; R1615-S1617 VanDerWaalsContact C-N 3.3Å; R1615-S1617 PolarHBondContact O-N 2.82Å; S1617-Q1621 WeakPolarHBondContact O-CG 3.16Å; S1617-Q1621 PolarHBondContact O-N 3.48Å |
| 1618 | T | 77.1 | Confident | 76.4 | Confident | 73 Ų | 73 | 89.1 Ų | 89.1 | 45% | 0.448 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -73.1 | -35.3 | 174.8 | 49.9 | 0 | 0 | 0 | 0 | 112.6 | L1614 R1615 Q1621 Q1622 | L1614-T1618 PolarHBondContact O-N 2.9Å; L1614-T1618 PolarHBondContact O-OG1 2.86Å; R1615-T1618 WeakPolarHBondContact CA-OG1 3.39Å; R1615-T1618 PolarHBondContact O-N 3.49Å; R1615-T1618 VanDerWaalsContact O-N 3.1Å; R1615-T1618 PolarHBondContact O-OG1 2.79Å; T1618-Q1621 PolarHBondContact O-N 3.3Å; T1618-Q1622 PolarHBondContact O-N 2.92Å |
| 1619 | E | 79.7 | Confident | 77 | Confident | 107 Ų | 107 | 87.2 Ų | 87.2 | 50% | 0.5 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.9 | -43.5 | 174.8 | -175 | 168.6 | -151.4 | 0 | 0 | 111.1 | R1615 S1616 Q1621 Q1622 I1623 | R1615-E1619 WeakPolarHBondContact O-CB 3.36Å; R1615-E1619 PolarHBondContact O-N 3.31Å; S1616-E1619 PolarHBondContact O-N 3.5Å; E1619-Q1621 VanDerWaalsContact C-N 3.35Å; E1619-Q1621 PolarHBondContact O-N 2.85Å; E1619-Q1622 PolarHBondContact O-N 3.07Å; E1619-I1623 HydrophobicContact CG-CD1 4.24Å; E1619-I1623 VanDerWaalsContact O-CG1 3.31Å; E1619-I1623 WeakPolarHBondContact O-CG1 3.15Å; E1619-I1623 PolarHBondContact O-N 3.32Å |
| 1620 | I | 78.9 | Confident | 77.5 | Confident | 80 Ų | 80 | 83.3 Ų | 83.3 | 41% | 0.41 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.6 | -40.3 | 172.9 | -69.9 | 165.7 | 0 | 0 | 0 | 111.6 | L1538 S1616 I1623 Q1624 | L1538-I1620 HydrophobicContact CD2-CG2 3.84Å; S1616-I1620 WeakPolarHBondContact O-CB 3.02Å; S1616-I1620 VanDerWaalsContact O-CG1 3.28Å; S1616-I1620 WeakPolarHBondContact O-CG1 3.21Å; S1616-I1620 PolarHBondContact O-N 3.31Å; I1620-I1623 PolarHBondContact O-N 3.4Å; I1620-Q1624 VanDerWaalsContact O-CG 3.31Å; I1620-Q1624 WeakPolarHBondContact O-CG 3.37Å; I1620-Q1624 PolarHBondContact O-N 2.85Å |
| 1621 | Q | 74.5 | Confident | 78.1 | Confident | 118 Ų | 118 | 82.5 Ų | 82.5 | 55% | 0.551 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -66.2 | -37.5 | 174.2 | -76.5 | -178.9 | -11.1 | 0 | 0 | 112.5 | S1617 T1618 E1619 Q1624 S1625 | S1617-Q1621 WeakPolarHBondContact O-CG 3.16Å; S1617-Q1621 PolarHBondContact O-N 3.48Å; T1618-Q1621 PolarHBondContact O-N 3.3Å; E1619-Q1621 VanDerWaalsContact C-N 3.35Å; E1619-Q1621 PolarHBondContact O-N 2.85Å; Q1621-Q1624 PolarHBondContact O-N 3.35Å; Q1621-S1625 PolarHBondContact O-N 2.93Å |
| 1622 | Q | 79.9 | Confident | 78.9 | Confident | 133 Ų | 133 | 83 Ų | 83 | 62% | 0.621 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -64.5 | -44.8 | 175.3 | -172.8 | 169.9 | -11.7 | 0 | 0 | 110.9 | T1618 E1619 Q1624 S1625 E1626 | T1618-Q1622 PolarHBondContact O-N 2.92Å; E1619-Q1622 PolarHBondContact O-N 3.07Å; Q1622-Q1624 PolarHBondContact O-N 3.49Å; Q1622-S1625 PolarHBondContact O-N 2.86Å; Q1622-S1625 VanDerWaalsContact O-N 3.12Å; Q1622-S1625 PolarHBondContact O-OG 3.26Å; Q1622-E1626 PolarHBondContact O-N 3.22Å |
| 1623 | I | 83.8 | Confident | 79.5 | Confident | 100 Ų | 100 | 84 Ų | 84 | 51% | 0.513 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59.5 | -44.8 | 174.5 | -67.9 | 163.6 | 0 | 0 | 0 | 111.2 | E1619 I1620 S1625 E1626 E1627 | E1619-I1623 HydrophobicContact CG-CD1 4.24Å; E1619-I1623 VanDerWaalsContact O-CG1 3.31Å; E1619-I1623 WeakPolarHBondContact O-CG1 3.15Å; E1619-I1623 PolarHBondContact O-N 3.32Å; I1620-I1623 PolarHBondContact O-N 3.4Å; I1623-S1625 VanDerWaalsContact C-N 3.31Å; I1623-S1625 PolarHBondContact O-N 3.32Å; I1623-E1626 PolarHBondContact O-N 2.92Å; I1623-E1627 WeakPolarHBondContact O-CB 2.8Å; I1623-E1627 PolarHBondContact O-N 3.5Å |
| 1624 | Q | 71.7 | Confident | 80.2 | Confident | 76 Ų | 76 | 90.6 Ų | 90.6 | 36% | 0.355 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -59.1 | -40.5 | 174 | -73 | 170.7 | 22.6 | 0 | 0 | 112.4 | L1538 I1620 Q1621 Q1622 L1628 | L1538-Q1624 HydrophobicContact CD1-CG 4.17Å; I1620-Q1624 VanDerWaalsContact O-CG 3.31Å; I1620-Q1624 WeakPolarHBondContact O-CG 3.37Å; I1620-Q1624 PolarHBondContact O-N 2.85Å; Q1621-Q1624 PolarHBondContact O-N 3.35Å; Q1622-Q1624 PolarHBondContact O-N 3.49Å; Q1624-L1628 VanDerWaalsContact O-CB 3.31Å; Q1624-L1628 WeakPolarHBondContact O-CB 3.23Å; Q1624-L1628 PolarHBondContact O-N 2.85Å |
| 1625 | S | 75.9 | Confident | 81.1 | Confident | 64 Ų | 64 | 89.1 Ų | 89.1 | 45% | 0.448 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -68 | -39.1 | 178.5 | 80.2 | 0 | 0 | 0 | 0 | 112.1 | Q1621 Q1622 I1623 V1629 | Q1621-S1625 PolarHBondContact O-N 2.93Å; Q1622-S1625 PolarHBondContact O-N 2.86Å; Q1622-S1625 VanDerWaalsContact O-N 3.12Å; Q1622-S1625 PolarHBondContact O-OG 3.26Å; I1623-S1625 VanDerWaalsContact C-N 3.31Å; I1623-S1625 PolarHBondContact O-N 3.32Å; S1625-V1629 WeakPolarHBondContact O-CB 3.18Å; S1625-V1629 VanDerWaalsContact O-CG2 3.3Å; S1625-V1629 WeakPolarHBondContact O-CG2 3.28Å; S1625-V1629 PolarHBondContact O-N 3.17Å |
| 1626 | E | 83.6 | Confident | 81.4 | Confident | 113 Ų | 113 | 86 Ų | 86 | 53% | 0.528 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -70.1 | -42.1 | 176.4 | 175.9 | 163.7 | -166.3 | 0 | 0 | 111.7 | Q1622 I1623 V1629 N1630 | Q1622-E1626 PolarHBondContact O-N 3.22Å; I1623-E1626 PolarHBondContact O-N 2.92Å; E1626-V1629 PolarHBondContact O-N 3.39Å; E1626-N1630 VanDerWaalsContact CG-ND2 3.3Å; E1626-N1630 WeakPolarHBondContact CG-ND2 3.43Å; E1626-N1630 VanDerWaalsContact O-CB 3.3Å; E1626-N1630 WeakPolarHBondContact O-CB 3.41Å; E1626-N1630 VanDerWaalsContact O-CG 3.22Å; E1626-N1630 PolarHBondContact O-N 2.85Å; E1626-N1630 PolarHBondContact O-ND2 3.46Å; E1626-N1630 PolarHBondContact OE1-ND2 3.26Å |
| 1627 | E | 81.6 | Confident | 82.2 | Confident | 105 Ų | 105 | 86 Ų | 86 | 49% | 0.491 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62 | -45 | 175 | -173.4 | 174.9 | -148.7 | 0 | 0 | 111 | I1623 V1629 N1630 D1631 | I1623-E1627 WeakPolarHBondContact O-CB 2.8Å; I1623-E1627 PolarHBondContact O-N 3.5Å; E1627-V1629 VanDerWaalsContact C-N 3.32Å; E1627-V1629 PolarHBondContact O-N 2.81Å; E1627-N1630 PolarHBondContact O-N 3.3Å; E1627-N1630 VanDerWaalsContact O-N 3.12Å; E1627-D1631 PolarHBondContact O-N 3.37Å |
| 1628 | L | 80.9 | Confident | 82.7 | Confident | 73 Ų | 73 | 86.9 Ų | 86.9 | 38% | 0.382 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -58.5 | -43.1 | 174.9 | 179.8 | 64.7 | 0 | 0 | 0 | 111.8 | Q1624 L1632 | Q1624-L1628 VanDerWaalsContact O-CB 3.31Å; Q1624-L1628 WeakPolarHBondContact O-CB 3.23Å; Q1624-L1628 PolarHBondContact O-N 2.85Å; L1628-L1632 VanDerWaalsContact O-CB 3.3Å; L1628-L1632 WeakPolarHBondContact O-CB 3.42Å; L1628-L1632 PolarHBondContact O-N 3.33Å |
| 1629 | V | 86 | Confident | 83.1 | Confident | 70 Ų | 70 | 87.8 Ų | 87.8 | 42% | 0.424 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66 | -38.7 | 175.6 | 162.8 | 0 | 0 | 0 | 0 | 111.4 | S1625 E1626 E1627 L1632 K1633 | S1625-V1629 WeakPolarHBondContact O-CB 3.18Å; S1625-V1629 VanDerWaalsContact O-CG2 3.3Å; S1625-V1629 WeakPolarHBondContact O-CG2 3.28Å; S1625-V1629 PolarHBondContact O-N 3.17Å; E1626-V1629 PolarHBondContact O-N 3.39Å; E1627-V1629 VanDerWaalsContact C-N 3.32Å; E1627-V1629 PolarHBondContact O-N 2.81Å; V1629-L1632 PolarHBondContact O-N 2.86Å; V1629-K1633 HydrophobicContact CG1-CD 4.32Å; V1629-K1633 VanDerWaalsContact CG1-CE 3.44Å; V1629-K1633 VanDerWaalsContact O-CG 3.25Å; V1629-K1633 WeakPolarHBondContact O-CG 3.14Å; V1629-K1633 PolarHBondContact O-N 3.38Å |
| 1630 | N | 86.4 | Confident | 83.7 | Confident | 57 Ų | 57 | 87.4 Ų | 87.4 | 31% | 0.305 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -73.2 | -35.2 | 179.7 | -72.9 | -25.5 | 0 | 0 | 0 | 112.4 | E1626 E1627 K1633 R1634 | E1626-N1630 VanDerWaalsContact CG-ND2 3.3Å; E1626-N1630 WeakPolarHBondContact CG-ND2 3.43Å; E1626-N1630 VanDerWaalsContact O-CB 3.3Å; E1626-N1630 WeakPolarHBondContact O-CB 3.41Å; E1626-N1630 VanDerWaalsContact O-CG 3.22Å; E1626-N1630 PolarHBondContact O-N 2.85Å; E1626-N1630 PolarHBondContact O-ND2 3.46Å; E1626-N1630 PolarHBondContact OE1-ND2 3.26Å; E1627-N1630 PolarHBondContact O-N 3.3Å; E1627-N1630 VanDerWaalsContact O-N 3.12Å; N1630-K1633 PolarHBondContact O-N 3.06Å; N1630-K1633 PolarHBondContact OD1-NZ 3.18Å; N1630-R1634 WeakPolarHBondContact O-CB 3.49Å; N1630-R1634 PolarHBondContact O-N 3.07Å |
| 1631 | D | 84.9 | Confident | 84.2 | Confident | 31 Ų | 31 | 90.6 Ų | 90.6 | 17% | 0.166 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -71.4 | -35.2 | 169.9 | -105.5 | 13.2 | 0 | 0 | 0 | 112.3 | Y1527 E1627 R1634 A1635 | Y1527-D1631 PolarHBondContact OH-OD2 3.07Å; E1627-D1631 PolarHBondContact O-N 3.37Å; D1631-R1634 WeakPolarHBondContact O-CB 3.22Å; D1631-R1634 PolarHBondContact O-N 3.33Å; D1631-R1634 IonicContact OD1-CZ 2.75Å; D1631-R1634 IonicContact OD1-NE 2.73Å; D1631-R1634 PolarHBondContact OD1-NE 2.97Å; D1631-R1634 IonicContact OD1-NH2 3.72Å; D1631-R1634 PolarHBondContact OD1-NH2 2.73Å; D1631-A1635 VanDerWaalsContact O-CB 3.32Å; D1631-A1635 WeakPolarHBondContact O-CB 3.49Å; D1631-A1635 PolarHBondContact O-N 2.85Å |
| 1632 | L | 86.9 | Confident | 84.6 | Confident | 104 Ų | 104 | 87.4 Ų | 87.4 | 55% | 0.545 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.4 | -42 | 171.2 | -176.4 | 60.4 | 0 | 0 | 0 | 111.6 | L1628 V1629 N1636 | L1628-L1632 VanDerWaalsContact O-CB 3.3Å; L1628-L1632 WeakPolarHBondContact O-CB 3.42Å; L1628-L1632 PolarHBondContact O-N 3.33Å; V1629-L1632 PolarHBondContact O-N 2.86Å; L1632-N1636 VanDerWaalsContact O-CB 3.28Å; L1632-N1636 WeakPolarHBondContact O-CB 3.32Å; L1632-N1636 VanDerWaalsContact O-CG 3.3Å; L1632-N1636 PolarHBondContact O-N 2.86Å; L1632-N1636 PolarHBondContact O-ND2 2.92Å |
| 1633 | K | 88.6 | Confident | 84.9 | Confident | 121 Ų | 121 | 87.5 Ų | 87.5 | 53% | 0.526 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -58.7 | -45 | 169.4 | -71.1 | 167.3 | -166.3 | 159.5 | 0 | 111 | V1629 N1630 S1637 | V1629-K1633 HydrophobicContact CG1-CD 4.32Å; V1629-K1633 VanDerWaalsContact CG1-CE 3.44Å; V1629-K1633 VanDerWaalsContact O-CG 3.25Å; V1629-K1633 WeakPolarHBondContact O-CG 3.14Å; V1629-K1633 PolarHBondContact O-N 3.38Å; N1630-K1633 PolarHBondContact O-N 3.06Å; N1630-K1633 PolarHBondContact OD1-NZ 3.18Å; K1633-S1637 WeakPolarHBondContact O-CB 3.47Å; K1633-S1637 PolarHBondContact O-N 3.39Å |
| 1634 | R | 89.9 | Confident | 85.1 | Confident | 166 Ų | 166 | 86.6 Ų | 86.6 | 63% | 0.626 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -60.9 | -50.4 | 179.5 | -161.3 | -166.7 | -53.6 | -102 | 1.8 | 111.2 | N1630 D1631 S1637 A1638 | N1630-R1634 WeakPolarHBondContact O-CB 3.49Å; N1630-R1634 PolarHBondContact O-N 3.07Å; D1631-R1634 WeakPolarHBondContact O-CB 3.22Å; D1631-R1634 PolarHBondContact O-N 3.33Å; D1631-R1634 IonicContact OD1-CZ 2.75Å; D1631-R1634 IonicContact OD1-NE 2.73Å; D1631-R1634 PolarHBondContact OD1-NE 2.97Å; D1631-R1634 IonicContact OD1-NH2 3.72Å; D1631-R1634 PolarHBondContact OD1-NH2 2.73Å; R1634-S1637 WeakPolarHBondContact O-CB 3.35Å; R1634-S1637 PolarHBondContact O-N 3.32Å; R1634-S1637 PolarHBondContact O-OG 3.23Å; R1634-A1638 PolarHBondContact O-N 3.06Å |
| 1635 | A | 86.9 | Confident | 85.9 | Confident | 57 Ų | 57 | 91 Ų | 91 | 47% | 0.471 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62 | -46.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | D1631 S1637 A1638 L1639 | D1631-A1635 VanDerWaalsContact O-CB 3.32Å; D1631-A1635 WeakPolarHBondContact O-CB 3.49Å; D1631-A1635 PolarHBondContact O-N 2.85Å; A1635-S1637 VanDerWaalsContact C-N 3.31Å; A1635-S1637 PolarHBondContact O-N 2.8Å; A1635-A1638 WeakPolarHBondContact O-CB 3.36Å; A1635-A1638 PolarHBondContact O-N 3.41Å; A1635-A1638 VanDerWaalsContact O-N 3.09Å; A1635-L1639 PolarHBondContact O-N 3.38Å |
| 1636 | N | 84.3 | Confident | 86.5 | Confident | 75 Ų | 75 | 91.4 Ų | 91.4 | 40% | 0.401 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.8 | -39.2 | 174.1 | -76.4 | -29.9 | 0 | 0 | 0 | 111.7 | L1632 A1638 L1639 I1640 | L1632-N1636 VanDerWaalsContact O-CB 3.28Å; L1632-N1636 WeakPolarHBondContact O-CB 3.32Å; L1632-N1636 VanDerWaalsContact O-CG 3.3Å; L1632-N1636 PolarHBondContact O-N 2.86Å; L1632-N1636 PolarHBondContact O-ND2 2.92Å; N1636-A1638 VanDerWaalsContact C-N 3.31Å; N1636-A1638 PolarHBondContact O-N 3.39Å; N1636-L1639 PolarHBondContact O-N 3.48Å; N1636-I1640 WeakPolarHBondContact O-CB 3.25Å; N1636-I1640 WeakPolarHBondContact O-CD1 3.08Å; N1636-I1640 WeakPolarHBondContact O-CG1 3.35Å; N1636-I1640 PolarHBondContact O-N 2.88Å |
| 1637 | S | 89.2 | Confident | 86.8 | Confident | 46 Ų | 46 | 91.5 Ų | 91.5 | 32% | 0.322 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63 | -36.6 | 174.3 | 90.7 | 0 | 0 | 0 | 0 | 112.5 | K1633 R1634 A1635 K1641 | K1633-S1637 WeakPolarHBondContact O-CB 3.47Å; K1633-S1637 PolarHBondContact O-N 3.39Å; R1634-S1637 WeakPolarHBondContact O-CB 3.35Å; R1634-S1637 PolarHBondContact O-N 3.32Å; R1634-S1637 PolarHBondContact O-OG 3.23Å; A1635-S1637 VanDerWaalsContact C-N 3.31Å; A1635-S1637 PolarHBondContact O-N 2.8Å; S1637-K1641 WeakPolarHBondContact O-CB 3.35Å; S1637-K1641 WeakPolarHBondContact O-CD 3.3Å; S1637-K1641 WeakPolarHBondContact O-CG 3.28Å; S1637-K1641 PolarHBondContact O-N 3Å |
| 1638 | A | 86.5 | Confident | 87.2 | Confident | 55 Ų | 55 | 92.6 Ų | 92.6 | 46% | 0.455 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -70.8 | -42.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | R1634 A1635 N1636 K1641 A1642 | R1634-A1638 PolarHBondContact O-N 3.06Å; A1635-A1638 WeakPolarHBondContact O-CB 3.36Å; A1635-A1638 PolarHBondContact O-N 3.41Å; A1635-A1638 VanDerWaalsContact O-N 3.09Å; N1636-A1638 VanDerWaalsContact C-N 3.31Å; N1636-A1638 PolarHBondContact O-N 3.39Å; A1638-K1641 PolarHBondContact O-N 3.31Å; A1638-A1642 WeakPolarHBondContact O-CB 3.37Å; A1638-A1642 PolarHBondContact O-N 2.99Å |
| 1639 | L | 85.5 | Confident | 87.6 | Confident | 92 Ų | 92 | 96.6 Ų | 96.6 | 48% | 0.482 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.2 | -45.5 | 174.4 | -168.3 | 75.5 | 0 | 0 | 0 | 111.3 | L1252 A1635 N1636 A1642 F1643 | L1252-L1639 HydrophobicContact CD1-CD1 3.83Å; A1635-L1639 PolarHBondContact O-N 3.38Å; N1636-L1639 PolarHBondContact O-N 3.48Å; L1639-A1642 PolarHBondContact O-N 2.85Å; L1639-F1643 VanDerWaalsContact O-CB 3.3Å; L1639-F1643 WeakPolarHBondContact O-CB 3.42Å; L1639-F1643 PolarHBondContact O-N 2.78Å |
| 1640 | I | 90.8 | Very high | 87.7 | Confident | 100 Ų | 100 | 99.9 Ų | 99.9 | 51% | 0.513 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.1 | -40.4 | 176.4 | -70.1 | 164.7 | 0 | 0 | 0 | 111.2 | N1636 N1644 | N1636-I1640 WeakPolarHBondContact O-CB 3.25Å; N1636-I1640 WeakPolarHBondContact O-CD1 3.08Å; N1636-I1640 WeakPolarHBondContact O-CG1 3.35Å; N1636-I1640 PolarHBondContact O-N 2.88Å; I1640-N1644 WeakPolarHBondContact CG2-ND2 3.22Å; I1640-N1644 WeakPolarHBondContact O-CB 3.5Å; I1640-N1644 PolarHBondContact O-N 3.44Å; I1640-N1644 PolarHBondContact O-ND2 3.05Å |
| 1641 | K | 89.3 | Confident | 87.8 | Confident | 146 Ų | 146 | 100 Ų | 100 | 64% | 0.635 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.5 | -43.4 | 174 | -75.5 | 164.2 | -176.6 | 166.9 | 0 | 111.6 | S1637 A1638 K1645 | S1637-K1641 WeakPolarHBondContact O-CB 3.35Å; S1637-K1641 WeakPolarHBondContact O-CD 3.3Å; S1637-K1641 WeakPolarHBondContact O-CG 3.28Å; S1637-K1641 PolarHBondContact O-N 3Å; A1638-K1641 PolarHBondContact O-N 3.31Å; K1641-K1645 WeakPolarHBondContact O-CB 3.38Å; K1641-K1645 PolarHBondContact O-N 3.41Å |
| 1642 | A | 83.3 | Confident | 88 | Confident | 52 Ų | 52 | 101 Ų | 101 | 43% | 0.43 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.1 | -49 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A1638 L1639 N1644 K1645 V1646 | A1638-A1642 WeakPolarHBondContact O-CB 3.37Å; A1638-A1642 PolarHBondContact O-N 2.99Å; L1639-A1642 PolarHBondContact O-N 2.85Å; A1642-N1644 PolarHBondContact O-N 2.87Å; A1642-K1645 WeakPolarHBondContact O-CB 3.34Å; A1642-K1645 PolarHBondContact O-N 2.99Å; A1642-K1645 VanDerWaalsContact O-N 3.16Å; A1642-V1646 WeakPolarHBondContact O-CG2 3.46Å; A1642-V1646 PolarHBondContact O-N 3.2Å |
| 1643 | F | 86.8 | Confident | 87.9 | Confident | 134 Ų | 134 | 104 Ų | 104 | 59% | 0.588 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.3 | -45.9 | 176.3 | -178.9 | -98.8 | 0 | 0 | 0 | 111.7 | L1639 K1645 V1646 K1647 | L1639-F1643 VanDerWaalsContact O-CB 3.3Å; L1639-F1643 WeakPolarHBondContact O-CB 3.42Å; L1639-F1643 PolarHBondContact O-N 2.78Å; F1643-K1645 VanDerWaalsContact C-N 3.35Å; F1643-K1645 PolarHBondContact O-N 2.9Å; F1643-V1646 PolarHBondContact O-N 3.23Å; F1643-K1647 HydrophobicContact CE1-CD 4.11Å; F1643-K1647 WeakPolarHBondContact O-CB 3.28Å; F1643-K1647 PolarHBondContact O-N 2.77Å |
| 1644 | N | 89 | Confident | 87.8 | Confident | 81 Ų | 81 | 102.5 Ų | 102.5 | 43% | 0.433 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.2 | -35.3 | 176.4 | -79.4 | -53.3 | 0 | 0 | 0 | 112.9 | I1640 A1642 H1648 | I1640-N1644 WeakPolarHBondContact CG2-ND2 3.22Å; I1640-N1644 WeakPolarHBondContact O-CB 3.5Å; I1640-N1644 PolarHBondContact O-N 3.44Å; I1640-N1644 PolarHBondContact O-ND2 3.05Å; A1642-N1644 PolarHBondContact O-N 2.87Å; N1644-H1648 VanDerWaalsContact O-CB 3.28Å; N1644-H1648 WeakPolarHBondContact O-CB 3.44Å; N1644-H1648 PolarHBondContact O-N 2.86Å |
| 1645 | K | 88.2 | Confident | 87.6 | Confident | 168 Ų | 168 | 100.3 Ų | 100.3 | 73% | 0.73 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.2 | -40.8 | 174.2 | -170.1 | 175.5 | -176.7 | 177.9 | 0 | 112.1 | K1641 A1642 F1643 H1648 K1649 | K1641-K1645 WeakPolarHBondContact O-CB 3.38Å; K1641-K1645 PolarHBondContact O-N 3.41Å; A1642-K1645 WeakPolarHBondContact O-CB 3.34Å; A1642-K1645 PolarHBondContact O-N 2.99Å; A1642-K1645 VanDerWaalsContact O-N 3.16Å; F1643-K1645 VanDerWaalsContact C-N 3.35Å; F1643-K1645 PolarHBondContact O-N 2.9Å; K1645-H1648 PolarHBondContact O-N 2.93Å; K1645-K1649 PolarHBondContact O-N 3.07Å |
| 1646 | V | 87.5 | Confident | 87.5 | Confident | 73 Ų | 73 | 104.2 Ų | 104.2 | 44% | 0.442 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.7 | -46.6 | 175.5 | 171.1 | 0 | 0 | 0 | 0 | 111.1 | A1642 F1643 H1648 K1649 Y1650 | A1642-V1646 WeakPolarHBondContact O-CG2 3.46Å; A1642-V1646 PolarHBondContact O-N 3.2Å; F1643-V1646 PolarHBondContact O-N 3.23Å; V1646-H1648 VanDerWaalsContact C-N 3.32Å; V1646-H1648 PolarHBondContact O-N 2.9Å; V1646-K1649 WeakPolarHBondContact O-CB 3.25Å; V1646-K1649 PolarHBondContact O-N 3.39Å; V1646-K1649 VanDerWaalsContact O-N 3.1Å; V1646-Y1650 HydrophobicContact CG1-CD2 3.68Å; V1646-Y1650 HydrophobicContact CG1-CE2 3.5Å; V1646-Y1650 VanDerWaalsContact O-CD2 3.31Å; V1646-Y1650 WeakPolarHBondContact O-CD2 3.47Å; V1646-Y1650 PolarHBondContact O-N 3.48Å |
| 1647 | K | 90.9 | Very high | 87.3 | Confident | 115 Ų | 115 | 105 Ų | 105 | 50% | 0.5 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -54.6 | -46.7 | 171.6 | -178.4 | 177.9 | 179.5 | 178.9 | 0 | 111 | F1643 Y1650 T1651 | F1643-K1647 HydrophobicContact CE1-CD 4.11Å; F1643-K1647 WeakPolarHBondContact O-CB 3.28Å; F1643-K1647 PolarHBondContact O-N 2.77Å; K1647-Y1650 PolarHBondContact O-N 3.36Å; K1647-T1651 WeakPolarHBondContact O-CB 3.38Å; K1647-T1651 PolarHBondContact O-N 2.93Å; K1647-T1651 PolarHBondContact O-OG1 3.43Å |
| 1648 | H | 90.2 | Very high | 86.9 | Confident | 128 Ų | 128 | 107.3 Ų | 107.3 | 59% | 0.593 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.1 | -41.6 | 175.4 | -173.9 | 90.8 | 0 | 0 | 0 | 112.3 | N1644 K1645 V1646 Y1650 T1651 T1652 | N1644-H1648 VanDerWaalsContact O-CB 3.28Å; N1644-H1648 WeakPolarHBondContact O-CB 3.44Å; N1644-H1648 PolarHBondContact O-N 2.86Å; K1645-H1648 PolarHBondContact O-N 2.93Å; V1646-H1648 VanDerWaalsContact C-N 3.32Å; V1646-H1648 PolarHBondContact O-N 2.9Å; H1648-Y1650 VanDerWaalsContact C-N 3.34Å; H1648-Y1650 PolarHBondContact O-N 3.26Å; H1648-T1651 PolarHBondContact O-N 3.26Å; H1648-T1652 PolarHBondContact NE2-OG1 3.24Å; H1648-T1652 VanDerWaalsContact O-CB 3.25Å; H1648-T1652 WeakPolarHBondContact O-CB 3.3Å; H1648-T1652 PolarHBondContact O-N 3.46Å; H1648-T1652 PolarHBondContact O-OG1 2.88Å |
| 1649 | K | 89.1 | Confident | 86.4 | Confident | 157 Ų | 157 | 110.3 Ų | 110.3 | 68% | 0.683 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -58.7 | -44.1 | 174.8 | -172.1 | -176.5 | 179.8 | -173.9 | 0 | 111.6 | K1645 V1646 R1653 | K1645-K1649 PolarHBondContact O-N 3.07Å; V1646-K1649 WeakPolarHBondContact O-CB 3.25Å; V1646-K1649 PolarHBondContact O-N 3.39Å; V1646-K1649 VanDerWaalsContact O-N 3.1Å; K1649-R1653 WeakPolarHBondContact O-CB 3.49Å; K1649-R1653 PolarHBondContact O-N 2.97Å |
| 1650 | Y | 86.9 | Confident | 85.9 | Confident | 139 Ų | 139 | 110.6 Ų | 110.6 | 55% | 0.545 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70.7 | -46.4 | 176.4 | -74.8 | -62.1 | 0 | 0 | 0 | 112.8 | V1646 K1647 H1648 T1652 R1653 I1654 | V1646-Y1650 HydrophobicContact CG1-CD2 3.68Å; V1646-Y1650 HydrophobicContact CG1-CE2 3.5Å; V1646-Y1650 VanDerWaalsContact O-CD2 3.31Å; V1646-Y1650 WeakPolarHBondContact O-CD2 3.47Å; V1646-Y1650 PolarHBondContact O-N 3.48Å; K1647-Y1650 PolarHBondContact O-N 3.36Å; H1648-Y1650 VanDerWaalsContact C-N 3.34Å; H1648-Y1650 PolarHBondContact O-N 3.26Å; Y1650-T1652 VanDerWaalsContact C-N 3.28Å; Y1650-T1652 PolarHBondContact O-N 2.96Å; Y1650-R1653 CarbonylContact O-C 3.57Å; Y1650-R1653 PolarHBondContact O-N 2.94Å; Y1650-R1653 VanDerWaalsContact O-N 3.08Å; Y1650-I1654 WeakPolarHBondContact O-CB 3.47Å; Y1650-I1654 WeakPolarHBondContact O-CG1 3.39Å; Y1650-I1654 PolarHBondContact O-N 2.99Å |
| 1651 | T | 88.6 | Confident | 84.7 | Confident | 61 Ų | 61 | 112 Ų | 112 | 37% | 0.374 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -57.8 | -40.1 | 175.1 | -59.3 | 0 | 0 | 0 | 0 | 111.8 | K1647 H1648 I1654 K1655 | K1647-T1651 WeakPolarHBondContact O-CB 3.38Å; K1647-T1651 PolarHBondContact O-N 2.93Å; K1647-T1651 PolarHBondContact O-OG1 3.43Å; H1648-T1651 PolarHBondContact O-N 3.26Å; T1651-I1654 PolarHBondContact O-N 3.03Å; T1651-K1655 WeakPolarHBondContact O-CB 3.49Å; T1651-K1655 WeakPolarHBondContact O-CG 3.45Å; T1651-K1655 PolarHBondContact O-N 3.32Å |
| 1652 | T | 90.4 | Very high | 83.3 | Confident | 52 Ų | 52 | 112.6 Ų | 112.6 | 32% | 0.319 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -73.6 | -30.6 | 176.9 | -66.4 | 0 | 0 | 0 | 0 | 112.2 | H1648 Y1650 K1656 | H1648-T1652 PolarHBondContact NE2-OG1 3.24Å; H1648-T1652 VanDerWaalsContact O-CB 3.25Å; H1648-T1652 WeakPolarHBondContact O-CB 3.3Å; H1648-T1652 PolarHBondContact O-N 3.46Å; H1648-T1652 PolarHBondContact O-OG1 2.88Å; Y1650-T1652 VanDerWaalsContact C-N 3.28Å; Y1650-T1652 PolarHBondContact O-N 2.96Å; T1652-K1656 WeakPolarHBondContact O-CG 3.16Å; T1652-K1656 PolarHBondContact O-N 2.77Å |
| 1653 | R | 84.5 | Confident | 82.1 | Confident | 166 Ų | 166 | 114.5 Ų | 114.5 | 63% | 0.626 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -69.5 | -41.4 | 169.6 | -173.3 | 170.7 | -178.3 | 150.4 | 2 | 111.8 | K1649 Y1650 K1656 L1657 | K1649-R1653 WeakPolarHBondContact O-CB 3.49Å; K1649-R1653 PolarHBondContact O-N 2.97Å; Y1650-R1653 CarbonylContact O-C 3.57Å; Y1650-R1653 PolarHBondContact O-N 2.94Å; Y1650-R1653 VanDerWaalsContact O-N 3.08Å; R1653-K1656 PolarHBondContact O-N 2.77Å; R1653-L1657 HydrophobicContact CG-CD1 4.27Å; R1653-L1657 WeakPolarHBondContact O-CG 3.3Å; R1653-L1657 PolarHBondContact O-N 2.77Å |
| 1654 | I | 85.2 | Confident | 80.2 | Confident | 90 Ų | 90 | 114 Ų | 114 | 46% | 0.462 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59.2 | -51.9 | 173.5 | -70.1 | 164.5 | 0 | 0 | 0 | 109.3 | Y1650 T1651 K1656 L1657 E1658 | Y1650-I1654 WeakPolarHBondContact O-CB 3.47Å; Y1650-I1654 WeakPolarHBondContact O-CG1 3.39Å; Y1650-I1654 PolarHBondContact O-N 2.99Å; T1651-I1654 PolarHBondContact O-N 3.03Å; I1654-K1656 VanDerWaalsContact C-N 3.26Å; I1654-K1656 PolarHBondContact O-N 2.82Å; I1654-L1657 CarbonylContact O-C 3.57Å; I1654-L1657 WeakPolarHBondContact O-CA 3.47Å; I1654-L1657 WeakPolarHBondContact O-CB 3.45Å; I1654-L1657 PolarHBondContact O-N 3.42Å; I1654-E1658 HydrophobicContact CG2-CG 4.09Å; I1654-E1658 WeakPolarHBondContact O-CG 3.41Å; I1654-E1658 PolarHBondContact O-N 3.39Å |
| 1655 | K | 87.3 | Confident | 77.9 | Confident | 120 Ų | 120 | 118.7 Ų | 118.7 | 52% | 0.522 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -56.5 | -35.2 | 174.9 | -76 | -177.9 | 174.4 | -169.7 | 0 | 114.2 | T1651 E1658 N1659 | T1651-K1655 WeakPolarHBondContact O-CB 3.49Å; T1651-K1655 WeakPolarHBondContact O-CG 3.45Å; T1651-K1655 PolarHBondContact O-N 3.32Å; K1655-E1658 WeakPolarHBondContact CA-OE2 3.37Å; K1655-N1659 WeakPolarHBondContact O-CB 3.19Å; K1655-N1659 PolarHBondContact O-N 2.97Å; K1655-N1659 PolarHBondContact O-OD1 2.75Å |
| 1656 | K | 84.3 | Confident | 75.6 | Confident | 139 Ų | 139 | 116.1 Ų | 116.1 | 60% | 0.604 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -69.1 | -40.1 | 173.8 | -77.1 | -174.4 | 175.1 | -164.7 | 0 | 112.3 | T1652 R1653 I1654 N1659 Q1660 | T1652-K1656 WeakPolarHBondContact O-CG 3.16Å; T1652-K1656 PolarHBondContact O-N 2.77Å; R1653-K1656 PolarHBondContact O-N 2.77Å; I1654-K1656 VanDerWaalsContact C-N 3.26Å; I1654-K1656 PolarHBondContact O-N 2.82Å; K1656-N1659 PolarHBondContact O-N 3.04Å; K1656-Q1660 WeakPolarHBondContact O-CB 3.39Å; K1656-Q1660 VanDerWaalsContact O-CG 3.31Å; K1656-Q1660 WeakPolarHBondContact O-CG 3.43Å; K1656-Q1660 PolarHBondContact O-N 3.04Å |
| 1657 | L | 80.5 | Confident | 73.1 | Confident | 92 Ų | 92 | 120.2 Ų | 120.2 | 48% | 0.482 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -69 | -39.1 | 174.5 | -67.7 | 167.9 | 0 | 0 | 0 | 112.1 | R1653 I1654 Q1660 L1661 | R1653-L1657 HydrophobicContact CG-CD1 4.27Å; R1653-L1657 WeakPolarHBondContact O-CG 3.3Å; R1653-L1657 PolarHBondContact O-N 2.77Å; I1654-L1657 CarbonylContact O-C 3.57Å; I1654-L1657 WeakPolarHBondContact O-CA 3.47Å; I1654-L1657 WeakPolarHBondContact O-CB 3.45Å; I1654-L1657 PolarHBondContact O-N 3.42Å; L1657-Q1660 PolarHBondContact O-N 3.04Å; L1657-L1661 WeakPolarHBondContact O-CB 3.27Å; L1657-L1661 PolarHBondContact O-N 2.79Å |
| 1658 | E | 80.5 | Confident | 70.5 | Confident | 94 Ų | 94 | 120.1 Ų | 120.1 | 44% | 0.439 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -59.6 | -48.4 | 171.5 | -71.1 | 171.5 | 154.1 | 0 | 0 | 110.3 | I1654 K1655 Q1660 L1661 H1662 | I1654-E1658 HydrophobicContact CG2-CG 4.09Å; I1654-E1658 WeakPolarHBondContact O-CG 3.41Å; I1654-E1658 PolarHBondContact O-N 3.39Å; K1655-E1658 WeakPolarHBondContact CA-OE2 3.37Å; E1658-Q1660 PolarHBondContact O-N 2.96Å; E1658-L1661 PolarHBondContact O-N 3.23Å; E1658-H1662 PolarHBondContact O-N 3.36Å; E1658-H1662 PolarHBondContact O-ND1 2.96Å |
| 1659 | N | 76.1 | Confident | 67.8 | Low | 117 Ų | 117 | 119.2 Ų | 119.2 | 63% | 0.626 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.4 | -38.3 | 177.1 | -72.1 | 2.9 | 0 | 0 | 0 | 112.4 | K1655 K1656 H1662 S1663 | K1655-N1659 WeakPolarHBondContact O-CB 3.19Å; K1655-N1659 PolarHBondContact O-N 2.97Å; K1655-N1659 PolarHBondContact O-OD1 2.75Å; K1656-N1659 PolarHBondContact O-N 3.04Å; N1659-H1662 PolarHBondContact O-N 3.03Å; N1659-S1663 PolarHBondContact O-N 3.03Å; N1659-S1663 VanDerWaalsContact O-N 3.12Å |
| 1660 | Q | 75.1 | Confident | 65.1 | Low | 98 Ų | 98 | 119.1 Ų | 119.1 | 46% | 0.458 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -64.8 | -40.1 | 173.3 | -76.8 | 175.2 | -42.8 | 0 | 0 | 111.5 | K1656 L1657 E1658 S1663 I1664 | K1656-Q1660 WeakPolarHBondContact O-CB 3.39Å; K1656-Q1660 VanDerWaalsContact O-CG 3.31Å; K1656-Q1660 WeakPolarHBondContact O-CG 3.43Å; K1656-Q1660 PolarHBondContact O-N 3.04Å; L1657-Q1660 PolarHBondContact O-N 3.04Å; E1658-Q1660 PolarHBondContact O-N 2.96Å; Q1660-S1663 PolarHBondContact O-N 3.27Å; Q1660-S1663 VanDerWaalsContact O-N 3.13Å; Q1660-S1663 PolarHBondContact O-OG 3.41Å; Q1660-I1664 WeakPolarHBondContact O-CG1 3.49Å |
| 1661 | L | 64.3 | Low | 62.4 | Low | 129 Ų | 129 | 120.1 Ų | 120.1 | 68% | 0.675 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -64.8 | -41.2 | 175.4 | -173.4 | 63.2 | 0 | 0 | 0 | 112 | L1657 E1658 S1663 I1664 | L1657-L1661 WeakPolarHBondContact O-CB 3.27Å; L1657-L1661 PolarHBondContact O-N 2.79Å; E1658-L1661 PolarHBondContact O-N 3.23Å; L1661-S1663 PolarHBondContact O-N 3.43Å; L1661-I1664 PolarHBondContact O-N 2.7Å |
| 1662 | H | 61.4 | Low | 59.7 | Low | 159 Ų | 159 | 122 Ų | 122 | 74% | 0.736 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -67.7 | -16 | 173.9 | -72.9 | 81 | 0 | 0 | 0 | 113.5 | E1658 N1659 I1664 | E1658-H1662 PolarHBondContact O-N 3.36Å; E1658-H1662 PolarHBondContact O-ND1 2.96Å; N1659-H1662 PolarHBondContact O-N 3.03Å; H1662-I1664 VanDerWaalsContact C-N 3.31Å |
| 1663 | S | 57.3 | Low | 57 | Low | 92 Ų | 92 | 127.6 Ų | 127.6 | 64% | 0.643 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -1.9 | 171.1 | 73.2 | 0 | 0 | 0 | 0 | 114.1 | N1659 Q1660 L1661 | N1659-S1663 PolarHBondContact O-N 3.03Å; N1659-S1663 VanDerWaalsContact O-N 3.12Å; Q1660-S1663 PolarHBondContact O-N 3.27Å; Q1660-S1663 VanDerWaalsContact O-N 3.13Å; Q1660-S1663 PolarHBondContact O-OG 3.41Å; L1661-S1663 PolarHBondContact O-N 3.43Å |
| 1664 | I | 47.4 | Very low | 54.6 | Low | 124 Ų | 124 | 124.6 Ų | 124.6 | 64% | 0.636 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -130.2 | 63.9 | -175.3 | -49.2 | 174 | 0 | 0 | 0 | 110.9 | Q1660 L1661 H1662 | Q1660-I1664 WeakPolarHBondContact O-CG1 3.49Å; L1661-I1664 PolarHBondContact O-N 2.7Å; H1662-I1664 VanDerWaalsContact C-N 3.31Å |
| 1665 | Q | 40.5 | Very low | 52 | Low | 180 Ų | 180 | 128 Ų | 128 | 84% | 0.841 | 69% | 0.692 | S | S | * | * | trans | -174.4 | 147.5 | 153.1 | -109.6 | 178 | 18.9 | 0 | 0 | 111.7 | ||||
| 1666 | P | 39 | Very low | 49.6 | Very low | 114 Ų | 114 | 127.3 Ų | 127.3 | 74% | 0.74 | 70% | 0.7 | S | S | * | * | cis | -120.9 | 171.8 | -30.7 | 37.9 | -25.1 | 0 | 0 | 0 | 112.5 | ||||
| 1667 | I | 36.6 | Very low | 46.9 | Very low | 158 Ų | 158 | 127.7 Ų | 127.7 | 81% | 0.81 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 138 | 166.7 | -63.5 | 166.6 | 0 | 0 | 0 | 108.8 | S1669 | I1667-S1669 PolarHBondContact O-N 3.02Š|
| 1668 | P | 36.1 | Very low | 44.6 | Very low | 114 Ų | 114 | 130.4 Ų | 130.4 | 74% | 0.74 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 121.6 | 178.1 | 26.5 | -34.5 | 0 | 0 | 0 | 111.4 | I1670 | P1668-I1670 PolarHBondContact O-N 2.99Š|
| 1669 | S | 32.7 | Very low | 42.3 | Very low | 108 Ų | 108 | 135.3 Ų | 135.3 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 119.6 | 173.4 | 50.3 | 0 | 0 | 0 | 0 | 110.7 | I1667 D1671 | I1667-S1669 PolarHBondContact O-N 3.02Å; S1669-D1671 PolarHBondContact O-N 3.31Å |
| 1670 | I | 32.8 | Very low | 40.5 | Very low | 155 Ų | 155 | 134.5 Ų | 134.5 | 80% | 0.795 | 74% | 0.744 | S | S | * | * | trans | -78.8 | 105 | 175.7 | -59.9 | 172.5 | 0 | 0 | 0 | 109 | P1668 | P1668-I1670 PolarHBondContact O-N 2.99Š| ||
| 1671 | D | 30.6 | Very low | 38.4 | Very low | 160 Ų | 160 | 139.5 Ų | 139.5 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | trans | -79.8 | 117.3 | 167.9 | -92.3 | -31.9 | 0 | 0 | 0 | 110.7 | S1669 | S1669-D1671 PolarHBondContact O-N 3.31Š| ||
| 1672 | S | 30.7 | Very low | 36.8 | Very low | 100 Ų | 100 | 143.9 Ų | 143.9 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | trans | -153.9 | 105.9 | 153.5 | 44.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 1673 | N | 34.1 | Very low | 35.6 | Very low | 171 Ų | 171 | 141 Ų | 141 | 91% | 0.914 | 77% | 0.767 | S | S | * | * | trans | -131.5 | 125.4 | 160.9 | -94.4 | -49 | 0 | 0 | 0 | 109.4 | ||||
| 1674 | S | 34.3 | Very low | 34.1 | Very low | 103 Ų | 103 | 144.5 Ų | 144.5 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | trans | -72.2 | 160.1 | 175.1 | 57.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1675 | L | 31 | Very low | 33.1 | Very low | 162 Ų | 162 | 143.5 Ų | 143.5 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | cis | -137.1 | 173.7 | 14.3 | -100.5 | 107.6 | 0 | 0 | 0 | 111.5 | ||||
| 1676 | P | 35.9 | Very low | 32.4 | Very low | 104 Ų | 104 | 141.6 Ų | 141.6 | 68% | 0.675 | 77% | 0.769 | S | S | * | * | trans | -111.3 | 173 | -165.5 | 41.3 | -34 | 0 | 0 | 0 | 117.1 | ||||
| 1677 | L | 27.3 | Very low | 31.8 | Very low | 148 Ų | 148 | 141 Ų | 141 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | trans | 97.2 | 125.9 | 145.3 | -119.5 | 71.5 | 0 | 0 | 0 | 121.6 | ||||
| 1678 | N | 32.7 | Very low | 31.3 | Very low | 149 Ų | 149 | 138.6 Ų | 138.6 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | trans | 91.5 | 120.9 | 150.5 | -67.9 | -26.6 | 0 | 0 | 0 | 123.3 | ||||
| 1679 | K | 32.4 | Very low | 30.8 | Very low | 196 Ų | 196 | 139.1 Ų | 139.1 | 85% | 0.852 | 77% | 0.766 | S | S | * | * | trans | -75.5 | -172.6 | 169.7 | -50 | 166.6 | 175.6 | 170.1 | 0 | 110.5 | ||||
| 1680 | P | 39.2 | Very low | 30.6 | Very low | 100 Ų | 100 | 141 Ų | 141 | 65% | 0.649 | 77% | 0.766 | S | S | * | * | cis | -135.3 | 165.7 | -5.2 | 30.6 | -9 | 0 | 0 | 0 | 116.4 | ||||
| 1681 | F | 29.7 | Very low | 30.5 | Very low | 203 Ų | 203 | 140.3 Ų | 140.3 | 89% | 0.89 | 76% | 0.762 | S | S | * | * | 179.7 | 172.5 | 112.5 | -111.1 | -90 | 0 | 0 | 0 | 113.1 | |||||
| 1682 | R | 30.5 | Very low | 30.3 | Very low | 222 Ų | 222 | 139.8 Ų | 139.8 | 84% | 0.838 | 76% | 0.755 | S | S | * | * | trans | -126.8 | -177.7 | -177 | -133.3 | -170 | 162.2 | -160.9 | -1.2 | 107 | ||||
| 1683 | P | 37.2 | Very low | 30 | Very low | 98 Ų | 98 | 140 Ų | 140 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | cis | -144 | -170.6 | -3.3 | 29.6 | -2.6 | 0 | 0 | 0 | 117.1 | ||||
| 1684 | Q | 25.2 | Very low | 29.7 | Very low | 165 Ų | 165 | 137.5 Ų | 137.5 | 77% | 0.771 | 74% | 0.743 | S | S | * | * | trans | 106.4 | 111.2 | 144 | -72.8 | -156.8 | -2.3 | 0 | 0 | 123.2 | ||||
| 1685 | T | 26.2 | Very low | 29.4 | Very low | 103 Ų | 103 | 138.1 Ų | 138.1 | 63% | 0.632 | 74% | 0.743 | S | S | * | * | 86.4 | 134.6 | 121.7 | 58.4 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 1686 | N | 27.1 | Very low | 29.1 | Very low | 141 Ų | 141 | 136 Ų | 136 | 75% | 0.754 | 74% | 0.736 | S | S | * | * | trans | 95.3 | 101 | 139.1 | -67.7 | -4.5 | 0 | 0 | 0 | 123.2 | ||||
| 1687 | S | 25 | Very low | 28.7 | Very low | 102 Ų | 102 | 137 Ų | 137 | 71% | 0.713 | 74% | 0.741 | S | S | * | * | 87 | 127.3 | 108.6 | -56.9 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 1688 | S | 26.4 | Very low | 28.8 | Very low | 106 Ų | 106 | 135.5 Ų | 135.5 | 74% | 0.741 | 74% | 0.738 | S | S | * | * | trans | 85.9 | 109 | 136 | -62 | 0 | 0 | 0 | 0 | 123 | ||||
| 1689 | T | 25.3 | Very low | 28.5 | Very low | 126 Ų | 126 | 134.2 Ų | 134.2 | 77% | 0.773 | 74% | 0.736 | S | S | * | * | 47.5 | 128.7 | 110.4 | -44.2 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 1690 | I | 29.5 | Very low | 28.4 | Very low | 148 Ų | 148 | 129.1 Ų | 129.1 | 76% | 0.759 | 72% | 0.721 | S | S | * | * | -175.3 | 122.2 | 129.6 | -101 | 161 | 0 | 0 | 0 | 114.4 | |||||
| 1691 | I | 30.5 | Very low | 27.9 | Very low | 139 Ų | 139 | 127.2 Ų | 127.2 | 71% | 0.713 | 71% | 0.708 | S | S | * | * | trans | 58.4 | 148.1 | 138.7 | -63.2 | 177.6 | 0 | 0 | 0 | 122.1 | ||||
| 1692 | Q | 25.7 | Very low | 27.9 | Very low | 149 Ų | 149 | 121.4 Ų | 121.4 | 70% | 0.696 | 69% | 0.689 | S | S | * | * | cis | 179.9 | 150.5 | -28.5 | -148.8 | 171.3 | -16.1 | 0 | 0 | 111.4 | ||||
| 1693 | T | 25.7 | Very low | 27.8 | Very low | 104 Ų | 104 | 115.2 Ų | 115.2 | 64% | 0.638 | 68% | 0.676 | S | S | * | * | trans | 64.8 | 107.1 | 146 | 33.8 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 1694 | T | 27 | Very low | 27.4 | Very low | 120 Ų | 120 | 114.7 Ų | 114.7 | 74% | 0.736 | 68% | 0.675 | S | S | * | * | 76.4 | 144.2 | 117.3 | 54.1 | 0 | 0 | 0 | 0 | 127.4 | |||||
| 1695 | T | 27.1 | Very low | 27.5 | Very low | 115 Ų | 115 | 112.6 Ų | 112.6 | 71% | 0.706 | 67% | 0.674 | S | S | * | * | trans | 88.2 | 98 | 139.5 | 35.7 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 1696 | T | 26.5 | Very low | 27.6 | Very low | 117 Ų | 117 | 112.8 Ų | 112.8 | 72% | 0.718 | 68% | 0.675 | S | S | * | * | 66.1 | 135.9 | 123.4 | 53.2 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 1697 | T | 25.7 | Very low | 27.7 | Very low | 125 Ų | 125 | 113.5 Ų | 113.5 | 77% | 0.767 | 67% | 0.673 | S | S | * | * | trans | 84.9 | 144 | 143.1 | 34.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1698 | T | 29.3 | Very low | 28 | Very low | 118 Ų | 118 | 114.3 Ų | 114.3 | 72% | 0.724 | 67% | 0.669 | S | S | * | * | trans | 62.4 | 94.1 | 159 | 43 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1699 | T | 27.5 | Very low | 28.2 | Very low | 121 Ų | 121 | 114.8 Ų | 114.8 | 74% | 0.742 | 66% | 0.664 | S | S | * | * | 53.2 | 143.6 | 122 | 48.8 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 1700 | T | 29.8 | Very low | 28.4 | Very low | 90 Ų | 90 | 116 Ų | 116 | 55% | 0.552 | 66% | 0.661 | S | S | * | * | trans | 63.4 | 104.5 | 176.2 | 48.8 | 0 | 0 | 0 | 0 | 114.8 | L720 | L720-T1700 VanDerWaalsContact CD1-CB 3.48Å; L720-T1700 WeakPolarHBondContact CD1-O 3.44Å | ||
| 1701 | T | 30.1 | Very low | 28.4 | Very low | 59 Ų | 59 | 115.9 Ų | 115.9 | 36% | 0.362 | 66% | 0.661 | S | S | . | * | cis | 95.7 | 126.5 | 45.1 | 70.1 | 0 | 0 | 0 | 0 | 110.3 | E719 L720 | E719-T1701 CarbonylContact C-O 3.53Å; E719-T1701 WeakPolarHBondContact CB-O 3.29Å; E719-T1701 HydrophobicContact CG-CG2 4.42Å; E719-T1701 CarbonylContact O-C 3.12Å; E719-T1701 WeakPolarHBondContact OE2-CB 3.39Å; E719-T1701 WeakPolarHBondContact OE2-CG2 3.48Å; E719-T1701 PolarHBondContact OE2-OG1 3.37Å; L720-T1701 WeakPolarHBondContact CB-O 3.32Å | ||
| 1702 | T | 28.8 | Very low | 28.3 | Very low | 82 Ų | 82 | 113.1 Ų | 113.1 | 50% | 0.503 | 65% | 0.654 | S | S | . | * | cis | -152.7 | -26.4 | -6.5 | -4.1 | 0 | 0 | 0 | 0 | 119.7 | S717 G718 E719 | S717-T1702 WeakPolarHBondContact O-CB 3.45Å; S717-T1702 PolarHBondContact O-OG1 3.12Å; G718-T1702 WeakPolarHBondContact CA-OG1 3.45Å; E719-T1702 PolarHBondContact N-OG1 3.49Å; E719-T1702 PolarHBondContact O-N 2.8Å | ||
| 1703 | T | 28.8 | Very low | 28.4 | Very low | 91 Ų | 91 | 113 Ų | 113 | 56% | 0.558 | 66% | 0.658 | S | S | * | * | trans | -64.6 | 130.2 | -139.4 | 43.9 | 0 | 0 | 0 | 0 | 119.2 | S717 | S717-T1703 VanDerWaalsContact O-CG2 3.26Å; S717-T1703 WeakPolarHBondContact O-CG2 3.32Å | ||
| 1704 | S | 28 | Very low | 28.5 | Very low | 88 Ų | 88 | 113.8 Ų | 113.8 | 62% | 0.615 | 66% | 0.663 | S | S | * | * | trans | 63.9 | 107.9 | 149.3 | 60.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1705 | T | 27.4 | Very low | 28.6 | Very low | 121 Ų | 121 | 117.1 Ų | 117.1 | 74% | 0.742 | 67% | 0.667 | S | S | * | * | 83.1 | 100.9 | 128.3 | 54.6 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 1706 | T | 28.1 | Very low | 28.6 | Very low | 107 Ų | 107 | 120.7 Ų | 120.7 | 66% | 0.656 | 67% | 0.673 | S | S | * | * | 91.9 | 118.1 | 119.1 | 52.8 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 1707 | H | 30.4 | Very low | 28.6 | Very low | 156 Ų | 156 | 118.5 Ų | 118.5 | 72% | 0.722 | 67% | 0.673 | S | S | * | * | trans | 75.5 | 139.4 | 135.9 | -65.2 | -36.1 | 0 | 0 | 0 | 119.8 | ||||
| 1708 | N | 29.5 | Very low | 28.6 | Very low | 118 Ų | 118 | 118 Ų | 118 | 63% | 0.631 | 67% | 0.674 | S | S | * | * | cis | -164.3 | 166.8 | -9.1 | -122.9 | 3.7 | 0 | 0 | 0 | 112.9 | ||||
| 1709 | N | 31.4 | Very low | 28.5 | Very low | 117 Ų | 117 | 119.5 Ų | 119.5 | 63% | 0.626 | 68% | 0.676 | S | S | * | * | trans | 68.6 | 144.4 | 159.8 | -59.4 | -13.9 | 0 | 0 | 0 | 116 | ||||
| 1710 | H | 30.5 | Very low | 28.5 | Very low | 152 Ų | 152 | 119.4 Ų | 119.4 | 70% | 0.704 | 67% | 0.67 | S | S | * | * | cis | -162.6 | 173.4 | 1.1 | -104.6 | -7.8 | 0 | 0 | 0 | 107.8 | ||||
| 1711 | L | 29.6 | Very low | 28.3 | Very low | 145 Ų | 145 | 121.8 Ų | 121.8 | 76% | 0.759 | 67% | 0.674 | S | S | * | * | cis | -149.8 | -166 | 8.1 | -129.4 | 169 | 0 | 0 | 0 | 110.8 | ||||
| 1712 | S | 27.5 | Very low | 28.2 | Very low | 81 Ų | 81 | 125.3 Ų | 125.3 | 57% | 0.566 | 69% | 0.687 | S | S | * | * | trans | -85.4 | 154.7 | -165.2 | -54.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1713 | N | 27.6 | Very low | 28.1 | Very low | 146 Ų | 146 | 128.1 Ų | 128.1 | 78% | 0.781 | 69% | 0.694 | S | S | * | * | 42.5 | 147.6 | 128.6 | -50.6 | -16.2 | 0 | 0 | 0 | 120.6 | |||||
| 1714 | T | 28.4 | Very low | 28 | Very low | 121 Ų | 121 | 129.4 Ų | 129.4 | 74% | 0.742 | 70% | 0.697 | S | S | * | * | 178.2 | 125.5 | 76.4 | -66.7 | 0 | 0 | 0 | 0 | 114 | |||||
| 1715 | F | 28.8 | Very low | 27.8 | Very low | 190 Ų | 190 | 131.3 Ų | 131.3 | 83% | 0.833 | 70% | 0.7 | S | S | * | * | trans | 80.7 | 178 | 149.8 | -90.6 | -124.8 | 0 | 0 | 0 | 124.4 | ||||
| 1716 | K | 27.3 | Very low | 27.7 | Very low | 189 Ų | 189 | 132 Ų | 132 | 82% | 0.822 | 70% | 0.699 | S | S | * | * | trans | -126 | 151.6 | -154.1 | -54.9 | 161.7 | 178.8 | 163.6 | 0 | 112.6 | ||||
| 1717 | G | 26.6 | Very low | 27.6 | Very low | 71 Ų | 71 | 133.9 Ų | 133.9 | 73% | 0.732 | 71% | 0.705 | S | S | * | * | 109.3 | 130.9 | 129.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 1718 | C | 26.4 | Very low | 27.5 | Very low | 116 Ų | 116 | 132.1 Ų | 132.1 | 78% | 0.784 | 71% | 0.705 | S | S | * | * | trans | 66.1 | 131.2 | 162.5 | -68.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1719 | I | 26.6 | Very low | 27.3 | Very low | 149 Ų | 149 | 131.6 Ų | 131.6 | 76% | 0.764 | 71% | 0.71 | S | S | * | * | 72.5 | 116.4 | 59 | -70.7 | 172.7 | 0 | 0 | 0 | 109.6 | |||||
| 1720 | I | 27.6 | Very low | 27 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 61% | 0.605 | 71% | 0.714 | S | S | * | * | cis | -163.5 | 156.2 | 8.3 | -143.9 | 172.6 | 0 | 0 | 0 | 113.6 | ||||
| 1721 | E | 25.8 | Very low | 26.9 | Very low | 140 Ų | 140 | 132.2 Ų | 132.2 | 65% | 0.654 | 72% | 0.717 | S | S | * | * | trans | 59.3 | 169.9 | 155 | -76.2 | 146.4 | -165.3 | 0 | 0 | 119.2 | ||||
| 1722 | H | 27.1 | Very low | 27 | Very low | 134 Ų | 134 | 130.1 Ų | 130.1 | 62% | 0.62 | 72% | 0.715 | S | S | * | * | cis | -154.5 | 155.4 | 26.5 | -121.7 | -59 | 0 | 0 | 0 | 114.9 | ||||
| 1723 | H | 27.3 | Very low | 27 | Very low | 141 Ų | 141 | 134.3 Ų | 134.3 | 65% | 0.653 | 73% | 0.725 | S | S | * | * | trans | 67.4 | 143.5 | 152.4 | -63.2 | -52.6 | 0 | 0 | 0 | 119.7 | ||||
| 1724 | D | 25.9 | Very low | 27.1 | Very low | 118 Ų | 118 | 134.5 Ų | 134.5 | 63% | 0.631 | 73% | 0.725 | S | S | * | * | cis | -158 | 164.2 | -10.1 | -119.1 | -3.9 | 0 | 0 | 0 | 115 | ||||
| 1725 | L | 24.5 | Very low | 27.1 | Very low | 128 Ų | 128 | 136.5 Ų | 136.5 | 67% | 0.67 | 73% | 0.725 | S | S | * | * | trans | 26.8 | 134 | 147.1 | -64.7 | 164.3 | 0 | 0 | 0 | 122.3 | ||||
| 1726 | N | 25.5 | Very low | 26.9 | Very low | 136 Ų | 136 | 132 Ų | 132 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | trans | 20.9 | 111.5 | 137.8 | -51.6 | -22.9 | 0 | 0 | 0 | 116.9 | ||||
| 1727 | N | 26.5 | Very low | 26.9 | Very low | 145 Ų | 145 | 130.7 Ų | 130.7 | 78% | 0.775 | 72% | 0.718 | S | S | * | * | 179.1 | 159.8 | 68.7 | -116.2 | -22.7 | 0 | 0 | 0 | 112.8 | |||||
| 1728 | V | 26.8 | Very low | 26.8 | Very low | 119 Ų | 119 | 137.8 Ų | 137.8 | 72% | 0.721 | 72% | 0.724 | S | S | * | * | trans | 42.7 | 98.4 | 146 | -177.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1729 | S | 25.5 | Very low | 27.3 | Very low | 107 Ų | 107 | 137 Ų | 137 | 75% | 0.748 | 72% | 0.717 | S | S | * | * | 81.3 | 160.2 | 98.9 | -141.2 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1730 | I | 26.4 | Very low | 27.2 | Very low | 137 Ų | 137 | 136.6 Ų | 136.6 | 70% | 0.703 | 72% | 0.716 | S | S | * | * | cis | -142.1 | 157.8 | 19.2 | -46.5 | 163.6 | 0 | 0 | 0 | 110.6 | ||||
| 1731 | N | 27.6 | Very low | 27.1 | Very low | 145 Ų | 145 | 139.8 Ų | 139.8 | 78% | 0.775 | 73% | 0.725 | S | S | * | * | trans | 104 | 114.5 | 166.3 | -59.4 | -58.7 | 0 | 0 | 0 | 114.9 | ||||
| 1732 | S | 30.8 | Very low | 27 | Very low | 102 Ų | 102 | 137.9 Ų | 137.9 | 71% | 0.713 | 73% | 0.727 | S | S | * | * | cis | -157.2 | 141.6 | 15.6 | 51.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1733 | H | 29.2 | Very low | 27 | Very low | 168 Ų | 168 | 136.1 Ų | 136.1 | 78% | 0.778 | 73% | 0.73 | S | S | * | * | trans | 65.5 | 118.6 | 144.2 | -78.4 | 85.7 | 0 | 0 | 0 | 123.4 | ||||
| 1734 | I | 29.4 | Very low | 27.1 | Very low | 150 Ų | 150 | 137.5 Ų | 137.5 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | trans | 94.8 | 80.6 | 145.7 | -56.7 | 160.5 | 0 | 0 | 0 | 118.3 | ||||
| 1735 | H | 27 | Very low | 27 | Very low | 163 Ų | 163 | 140.3 Ų | 140.3 | 76% | 0.755 | 74% | 0.744 | S | S | * | * | trans | 7.6 | 125.8 | 131.5 | -81.8 | -67.9 | 0 | 0 | 0 | 121.9 | ||||
| 1736 | S | 25.1 | Very low | 27.2 | Very low | 95 Ų | 95 | 140.5 Ų | 140.5 | 66% | 0.664 | 74% | 0.741 | S | S | * | * | 52.2 | 154.4 | 103.9 | -45.3 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 1737 | I | 27.2 | Very low | 27.2 | Very low | 163 Ų | 163 | 139 Ų | 139 | 84% | 0.836 | 74% | 0.739 | S | S | * | * | trans | 113 | 121.6 | 153.6 | -60.6 | 170 | 0 | 0 | 0 | 116.6 | ||||
| 1738 | Y | 23.8 | Very low | 27.3 | Very low | 220 Ų | 220 | 136 Ų | 136 | 86% | 0.863 | 73% | 0.726 | S | S | * | * | trans | -86.2 | 154.2 | 157.9 | -91.9 | -98.9 | 0 | 0 | 0 | 109.3 | ||||
| 1739 | P | 38.2 | Very low | 27.1 | Very low | 98 Ų | 98 | 137.2 Ų | 137.2 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | cis | -136.6 | -157.1 | -32.3 | 31.2 | -8.1 | 0 | 0 | 0 | 111.6 | ||||
| 1740 | I | 24 | Very low | 27.3 | Very low | 142 Ų | 142 | 139.6 Ų | 139.6 | 73% | 0.728 | 73% | 0.729 | S | S | * | * | trans | 85.2 | 118.7 | 157.9 | -63.4 | 164.8 | 0 | 0 | 0 | 118.4 | ||||
| 1741 | K | 25.3 | Very low | 27.2 | Very low | 185 Ų | 185 | 137.7 Ų | 137.7 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | trans | 49.6 | 99.6 | 153.1 | -68.5 | 171.2 | -174.8 | 176 | 0 | 118 | ||||
| 1742 | S | 24.5 | Very low | 27 | Very low | 100 Ų | 100 | 136.2 Ų | 136.2 | 70% | 0.699 | 72% | 0.72 | S | S | * | * | 91.2 | 139.9 | 63.7 | 68.4 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 1743 | S | 27 | Very low | 26.7 | Very low | 96 Ų | 96 | 136.9 Ų | 136.9 | 67% | 0.671 | 72% | 0.72 | S | S | * | * | trans | 82.7 | 149.8 | 161.4 | 87.3 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1744 | F | 28.1 | Very low | 26.6 | Very low | 170 Ų | 170 | 134.8 Ų | 134.8 | 75% | 0.746 | 72% | 0.72 | S | S | * | * | cis | -133.4 | 140.9 | 0.2 | -98.6 | -80.6 | 0 | 0 | 0 | 110.7 | P1747 | F1744-P1747 HydrophobicContact CE1-CG 4.42Š| ||
| 1745 | Q | 25.3 | Very low | 26.4 | Very low | 178 Ų | 178 | 133.1 Ų | 133.1 | 83% | 0.832 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -122.3 | 88.6 | 137.7 | -166.1 | 165.9 | 10.9 | 0 | 0 | 109.6 | ||
| 1746 | Q | 27.6 | Very low | 26.8 | Very low | 131 Ų | 131 | 131.5 Ų | 131.5 | 61% | 0.612 | 72% | 0.718 | S | S | * | * | trans | 40.7 | 96.8 | 148.1 | -52.1 | -171.9 | -76.7 | 0 | 0 | 119.1 | T1748 | Q1746-T1748 WeakPolarHBondContact CB-OG1 3.27Å; Q1746-T1748 VanDerWaalsContact CG-OG1 3.25Å; Q1746-T1748 WeakPolarHBondContact CG-OG1 3.38Å; Q1746-T1748 PolarHBondContact NE2-OG1 2.85Å | ||
| 1747 | P | 26.5 | Very low | 27 | Very low | 105 Ų | 105 | 133.9 Ų | 133.9 | 68% | 0.682 | 72% | 0.723 | S | S | * | * | -85.7 | 66.1 | 122.1 | 34.9 | -29.4 | 0 | 0 | 0 | 108.5 | F1744 I1749 | F1744-P1747 HydrophobicContact CE1-CG 4.42Å; P1747-I1749 PolarHBondContact O-N 2.75Å; P1747-I1749 VanDerWaalsContact O-N 3.12Å | |||
| 1748 | T | 28.7 | Very low | 27.1 | Very low | 82 Ų | 82 | 131.4 Ų | 131.4 | 50% | 0.503 | 71% | 0.711 | S | S | . | * | trans | -74 | 107.1 | 175.7 | -63 | 0 | 0 | 0 | 0 | 108.8 | Q1746 I1750 | Q1746-T1748 WeakPolarHBondContact CB-OG1 3.27Å; Q1746-T1748 VanDerWaalsContact CG-OG1 3.25Å; Q1746-T1748 WeakPolarHBondContact CG-OG1 3.38Å; Q1746-T1748 PolarHBondContact NE2-OG1 2.85Å; T1748-I1750 HydrophobicContact CG2-CG1 4.23Å; T1748-I1750 PolarHBondContact O-N 3.39Å; T1748-I1750 VanDerWaalsContact O-N 3.07Å | ||
| 1749 | I | 22.9 | Very low | 27.4 | Very low | 145 Ų | 145 | 128.7 Ų | 128.7 | 74% | 0.744 | 71% | 0.706 | S | S | * | * | trans | -62.8 | 107.2 | 171.8 | -61.5 | 168.9 | 0 | 0 | 0 | 108.4 | P1747 T1751 | P1747-I1749 PolarHBondContact O-N 2.75Å; P1747-I1749 VanDerWaalsContact O-N 3.12Å; I1749-T1751 VanDerWaalsContact CG2-OG1 3.31Å; I1749-T1751 WeakPolarHBondContact CG2-OG1 3.47Å | ||
| 1750 | I | 27.8 | Very low | 27 | Very low | 157 Ų | 157 | 128.8 Ų | 128.8 | 81% | 0.805 | 71% | 0.709 | S | S | * | * | trans | -113.6 | 103 | 157.3 | -62.4 | -174.9 | 0 | 0 | 0 | 107 | T1748 | T1748-I1750 HydrophobicContact CG2-CG1 4.23Å; T1748-I1750 PolarHBondContact O-N 3.39Å; T1748-I1750 VanDerWaalsContact O-N 3.07Å | ||
| 1751 | T | 24.7 | Very low | 27.4 | Very low | 97 Ų | 97 | 129.4 Ų | 129.4 | 60% | 0.595 | 71% | 0.713 | S | S | * | * | trans | -79.3 | 145.6 | -176.4 | -38.9 | 0 | 0 | 0 | 0 | 111 | I1749 | I1749-T1751 VanDerWaalsContact CG2-OG1 3.31Å; I1749-T1751 WeakPolarHBondContact CG2-OG1 3.47Å | ||
| 1752 | T | 23.6 | Very low | 27.8 | Very low | 113 Ų | 113 | 127.5 Ų | 127.5 | 69% | 0.693 | 71% | 0.712 | S | S | * | * | trans | 68.3 | 141 | 151.3 | 32.7 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1753 | T | 23.9 | Very low | 27.7 | Very low | 116 Ų | 116 | 129.3 Ų | 129.3 | 71% | 0.712 | 71% | 0.712 | S | S | * | * | trans | 67.1 | 137.3 | 149.8 | 55.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1754 | T | 28.1 | Very low | 27.8 | Very low | 124 Ų | 124 | 130.3 Ų | 130.3 | 76% | 0.761 | 72% | 0.716 | S | S | * | * | cis | -143.1 | 119.5 | 36.3 | 28.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1755 | T | 24.1 | Very low | 27.7 | Very low | 115 Ų | 115 | 127 Ų | 127 | 71% | 0.706 | 71% | 0.71 | S | S | * | * | 66.2 | 96.7 | 91.8 | 63.5 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 1756 | T | 35.4 | Very low | 27.7 | Very low | 129 Ų | 129 | 125.7 Ų | 125.7 | 79% | 0.791 | 71% | 0.706 | S | S | * | * | trans | -139.4 | 108.9 | 140.1 | 37.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1757 | L | 29.9 | Very low | 27.6 | Very low | 145 Ų | 145 | 125.9 Ų | 125.9 | 76% | 0.759 | 71% | 0.71 | S | S | * | * | 74.4 | 125.6 | 97.7 | -67.9 | 175.4 | 0 | 0 | 0 | 115.5 | |||||
| 1758 | N | 30 | Very low | 27.7 | Very low | 111 Ų | 111 | 127.3 Ų | 127.3 | 59% | 0.594 | 71% | 0.712 | S | S | * | * | cis | -169.9 | 161.4 | -20.7 | -128 | 19.3 | 0 | 0 | 0 | 113.2 | ||||
| 1759 | H | 30.3 | Very low | 27.6 | Very low | 163 Ų | 163 | 127.5 Ų | 127.5 | 76% | 0.755 | 72% | 0.716 | S | S | * | * | trans | 68.5 | 145.1 | 159.7 | -59.7 | -46.5 | 0 | 0 | 0 | 118.1 | ||||
| 1760 | S | 30.2 | Very low | 27.8 | Very low | 101 Ų | 101 | 127.8 Ų | 127.8 | 71% | 0.706 | 72% | 0.719 | S | S | * | * | cis | -154.8 | 161.9 | 12.9 | -120.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1761 | L | 32.4 | Very low | 27.9 | Very low | 154 Ų | 154 | 130.2 Ų | 130.2 | 81% | 0.806 | 72% | 0.718 | S | S | * | * | trans | 68.4 | 132.2 | 169.1 | -61.8 | 164.9 | 0 | 0 | 0 | 117.4 | ||||
| 1762 | N | 32.1 | Very low | 28.2 | Very low | 145 Ų | 145 | 130.4 Ų | 130.4 | 78% | 0.775 | 72% | 0.716 | S | S | * | * | cis | -155.4 | 153.8 | -11.8 | -147.5 | 12.3 | 0 | 0 | 0 | 111.7 | ||||
| 1763 | I | 24.1 | Very low | 28.5 | Very low | 139 Ų | 139 | 134 Ų | 134 | 71% | 0.713 | 72% | 0.722 | S | S | * | * | trans | -136.4 | 150.2 | 179.6 | -33.8 | 178.1 | 0 | 0 | 0 | 109.4 | T1765 | I1763-T1765 HydrophobicContact CG2-CG2 4.11Š| ||
| 1764 | P | 29.1 | Very low | 28.7 | Very low | 116 Ų | 116 | 135.6 Ų | 135.6 | 75% | 0.753 | 73% | 0.725 | S | S | * | * | -137.9 | 128.8 | 116.8 | 24.9 | -7 | 0 | 0 | 0 | 112.1 | |||||
| 1765 | T | 24.5 | Very low | 29.1 | Very low | 101 Ų | 101 | 135.2 Ų | 135.2 | 62% | 0.62 | 72% | 0.724 | S | S | * | * | 69.7 | 109.6 | 58.7 | 68.2 | 0 | 0 | 0 | 0 | 115.8 | I1763 | I1763-T1765 HydrophobicContact CG2-CG2 4.11Š| |||
| 1766 | M | 26.4 | Very low | 29.3 | Very low | 151 Ų | 151 | 135.5 Ų | 135.5 | 74% | 0.744 | 73% | 0.731 | S | S | * | * | trans | 173.4 | 115.1 | 138.9 | -85.7 | -49.8 | 91.4 | 0 | 0 | 105.7 | ||||
| 1767 | I | 25.7 | Very low | 29.2 | Very low | 134 Ų | 134 | 136.8 Ų | 136.8 | 69% | 0.687 | 73% | 0.732 | S | S | * | * | 93.8 | 140.8 | 63.3 | -80 | -171.5 | 0 | 0 | 0 | 113.2 | |||||
| 1768 | D | 26.9 | Very low | 29.3 | Very low | 136 Ų | 136 | 135.8 Ų | 135.8 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | trans | 79.8 | 99.5 | 165 | -83.9 | -43.9 | 0 | 0 | 0 | 122.7 | ||||
| 1769 | S | 27.3 | Very low | 29.2 | Very low | 85 Ų | 85 | 136.5 Ų | 136.5 | 59% | 0.594 | 74% | 0.743 | S | S | * | * | 73.1 | 133.4 | 104.4 | -67.2 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 1770 | N | 26.7 | Very low | 29.1 | Very low | 152 Ų | 152 | 133.2 Ų | 133.2 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | trans | 68.8 | 140.9 | 152 | -61.4 | -35.9 | 0 | 0 | 0 | 116.5 | ||||
| 1771 | R | 30.5 | Very low | 29.2 | Very low | 207 Ų | 207 | 138.8 Ų | 138.8 | 78% | 0.781 | 75% | 0.745 | S | S | * | * | cis | -168 | 160.9 | 25.5 | -140.6 | -179.2 | 142.4 | 162.5 | -1.2 | 111 | ||||
| 1772 | D | 30.4 | Very low | 29.3 | Very low | 102 Ų | 102 | 139 Ų | 139 | 55% | 0.545 | 75% | 0.745 | S | S | . | * | trans | 45.7 | 137.2 | 147.2 | -62.8 | -6 | 0 | 0 | 0 | 121.1 | ||||
| 1773 | F | 30 | Very low | 29.2 | Very low | 187 Ų | 187 | 137.5 Ų | 137.5 | 82% | 0.82 | 74% | 0.744 | S | S | * | * | cis | -152.5 | 154.9 | 8.1 | -121.1 | -64.1 | 0 | 0 | 0 | 111.2 | ||||
| 1774 | I | 27.7 | Very low | 29.5 | Very low | 151 Ų | 151 | 136.1 Ų | 136.1 | 77% | 0.774 | 75% | 0.746 | S | S | * | * | trans | -119.6 | 144.5 | 171.1 | -83.4 | 175.9 | 0 | 0 | 0 | 109.8 | ||||
| 1775 | P | 38.3 | Very low | 29.7 | Very low | 115 Ų | 115 | 138.4 Ų | 138.4 | 75% | 0.747 | 75% | 0.75 | S | S | * | * | trans | -79.1 | 168 | -177.9 | 32.9 | -38.4 | 0 | 0 | 0 | 114.1 | ||||
| 1776 | S | 26.8 | Very low | 30.1 | Very low | 122 Ų | 122 | 138.6 Ų | 138.6 | 85% | 0.853 | 75% | 0.753 | S | S | * | * | trans | -158.6 | 146.4 | 163.8 | -80.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1777 | I | 34.1 | Very low | 30.3 | Very low | 156 Ų | 156 | 139 Ų | 139 | 80% | 0.8 | 76% | 0.757 | S | S | * | * | trans | -100.2 | 155.6 | 164.1 | -59.5 | 163.1 | 0 | 0 | 0 | 107.3 | ||||
| 1778 | P | 32.2 | Very low | 30.4 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | trans | -125.3 | 139.2 | 151.7 | 35.3 | -24.6 | 0 | 0 | 0 | 113.9 | ||||
| 1779 | T | 27.7 | Very low | 30.8 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | trans | -94.7 | 176.5 | 168.3 | 51.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1780 | S | 29 | Very low | 31 | Very low | 94 Ų | 94 | 141.4 Ų | 141.4 | 66% | 0.657 | 77% | 0.771 | S | S | * | * | 170.5 | 161.7 | 118.7 | 51.2 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 1781 | Y | 30.6 | Very low | 31.3 | Very low | 217 Ų | 217 | 140 Ų | 140 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | trans | 86.4 | 131.6 | 156.5 | -73 | -67.8 | 0 | 0 | 0 | 123.6 | ||||
| 1782 | I | 36.2 | Very low | 31.1 | Very low | 159 Ų | 159 | 137.9 Ų | 137.9 | 82% | 0.815 | 77% | 0.769 | S | S | * | * | trans | -135.3 | 138.5 | 170.1 | -59.7 | 166.9 | 0 | 0 | 0 | 106.1 | ||||
| 1783 | P | 29.6 | Very low | 31.2 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 74% | 0.74 | 77% | 0.774 | S | S | * | * | trans | -139.6 | 158.1 | 134.5 | 41.1 | -29.1 | 0 | 0 | 0 | 110.9 | ||||
| 1784 | S | 30.1 | Very low | 31.3 | Very low | 109 Ų | 109 | 136.2 Ų | 136.2 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | cis | -155.5 | 166.7 | 31.5 | -55.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 1785 | I | 33.7 | Very low | 31.2 | Very low | 165 Ų | 165 | 135.7 Ų | 135.7 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | trans | -131.2 | 136.4 | 168.2 | -70.6 | 164.7 | 0 | 0 | 0 | 106.3 | ||||
| 1786 | P | 31.6 | Very low | 30.8 | Very low | 104 Ų | 104 | 137.8 Ų | 137.8 | 68% | 0.675 | 76% | 0.762 | S | S | * | * | -161.1 | 176.1 | 110.6 | 42.5 | -22.5 | 0 | 0 | 0 | 118.9 | |||||
| 1787 | L | 31.5 | Very low | 30.8 | Very low | 159 Ų | 159 | 138.4 Ų | 138.4 | 83% | 0.832 | 75% | 0.751 | S | S | * | * | trans | 81.3 | 117.1 | 164.6 | -54.2 | 164.9 | 0 | 0 | 0 | 116.1 | ||||
| 1788 | N | 26.8 | Very low | 30.5 | Very low | 147 Ų | 147 | 137.2 Ų | 137.2 | 79% | 0.786 | 75% | 0.746 | S | S | * | * | cis | 74.3 | 136.3 | 22.4 | -145.9 | 31.6 | 0 | 0 | 0 | 113.3 | ||||
| 1789 | P | 36.3 | Very low | 30.2 | Very low | 110 Ų | 110 | 136.3 Ų | 136.3 | 71% | 0.714 | 73% | 0.734 | S | S | * | * | cis | -142 | -177.7 | 19.3 | 44.6 | -24.9 | 0 | 0 | 0 | 119.6 | ||||
| 1790 | N | 30.4 | Very low | 30.3 | Very low | 150 Ų | 150 | 136.8 Ų | 136.8 | 80% | 0.802 | 73% | 0.728 | S | S | * | * | trans | -24.5 | 156.1 | 159.7 | -96.7 | -14.3 | 0 | 0 | 0 | 118.9 | ||||
| 1791 | P | 33.3 | Very low | 30.3 | Very low | 121 Ų | 121 | 138.7 Ų | 138.7 | 79% | 0.786 | 73% | 0.726 | S | S | * | * | -152.8 | -175.8 | 59.4 | 43.2 | -22.5 | 0 | 0 | 0 | 120.2 | |||||
| 1792 | H | 26 | Very low | 30.2 | Very low | 163 Ų | 163 | 135.3 Ų | 135.3 | 76% | 0.755 | 72% | 0.718 | S | S | * | * | trans | -45.3 | 169.8 | 163.7 | -83.6 | -58.4 | 0 | 0 | 0 | 116.4 | ||||
| 1793 | P | 34.4 | Very low | 29.8 | Very low | 102 Ų | 102 | 133.5 Ų | 133.5 | 66% | 0.662 | 71% | 0.71 | S | S | * | * | cis | -125.1 | 177.5 | 21.1 | 23.9 | 2 | 0 | 0 | 0 | 114 | ||||
| 1794 | H | 30.2 | Very low | 29.8 | Very low | 152 Ų | 152 | 134.9 Ų | 134.9 | 70% | 0.704 | 71% | 0.706 | S | S | * | * | -160.8 | 171.4 | 51.1 | -104.8 | -84.5 | 0 | 0 | 0 | 109.3 | |||||
| 1795 | H | 25.4 | Very low | 29.8 | Very low | 141 Ų | 141 | 136.4 Ų | 136.4 | 65% | 0.653 | 71% | 0.705 | S | S | * | * | cis | 69.4 | 102.7 | 11.6 | -72.3 | -92.4 | 0 | 0 | 0 | 117.3 | ||||
| 1796 | H | 30.4 | Very low | 29.4 | Very low | 158 Ų | 158 | 138.6 Ų | 138.6 | 73% | 0.731 | 70% | 0.704 | S | S | * | * | -145.4 | 163.9 | 51 | -83.4 | -100.3 | 0 | 0 | 0 | 111.7 | |||||
| 1797 | H | 27.7 | Very low | 29.9 | Very low | 136 Ų | 136 | 137.8 Ų | 137.8 | 63% | 0.63 | 70% | 0.698 | S | S | * | * | cis | 89.6 | 118 | 19.9 | -171.1 | 92.1 | 0 | 0 | 0 | 115.4 | ||||
| 1798 | L | 26.6 | Very low | 29.8 | Very low | 130 Ų | 130 | 138.4 Ų | 138.4 | 68% | 0.681 | 70% | 0.697 | S | S | * | * | trans | 69 | 159.2 | 162.2 | -99.7 | 59.4 | 0 | 0 | 0 | 117.8 | ||||
| 1799 | D | 26.1 | Very low | 29.9 | Very low | 105 Ų | 105 | 136.2 Ų | 136.2 | 56% | 0.561 | 69% | 0.689 | S | S | * | * | cis | -157.6 | 169 | -11.9 | -146.3 | -16.8 | 0 | 0 | 0 | 111.6 | ||||
| 1800 | H | 29.6 | Very low | 29.4 | Very low | 137 Ų | 137 | 138.4 Ų | 138.4 | 63% | 0.634 | 69% | 0.69 | S | S | * | * | trans | 54.4 | 157.5 | 148 | -74.2 | -0.1 | 0 | 0 | 0 | 120.1 | ||||
| 1801 | H | 30.6 | Very low | 29.3 | Very low | 134 Ų | 134 | 138 Ų | 138 | 62% | 0.62 | 68% | 0.683 | S | S | * | * | cis | -154.8 | 163.9 | 0.2 | -119.7 | -37.9 | 0 | 0 | 0 | 110.5 | ||||
| 1802 | Q | 27.3 | Very low | 29 | Very low | 146 Ų | 146 | 140.6 Ų | 140.6 | 68% | 0.682 | 69% | 0.685 | S | S | * | * | 9.5 | 152.4 | 129.5 | -95.1 | 75.8 | 9.6 | 0 | 0 | 120.4 | |||||
| 1803 | D | 28.5 | Very low | 29.2 | Very low | 120 Ų | 120 | 140.2 Ų | 140.2 | 64% | 0.642 | 69% | 0.688 | S | S | * | * | cis | -175.7 | -170 | -8.5 | -137.9 | -20.5 | 0 | 0 | 0 | 107.5 | ||||
| 1804 | H | 30.3 | Very low | 28.8 | Very low | 143 Ų | 143 | 142.7 Ų | 142.7 | 66% | 0.662 | 69% | 0.692 | S | S | * | * | cis | -161.5 | 175.6 | 0.5 | -148.5 | 27.8 | 0 | 0 | 0 | 110.5 | ||||
| 1805 | L | 28.8 | Very low | 28.7 | Very low | 141 Ų | 141 | 141.8 Ų | 141.8 | 74% | 0.738 | 69% | 0.686 | S | S | * | * | trans | 65.2 | 168.5 | 166.2 | -86.9 | 62.6 | 0 | 0 | 0 | 118.8 | ||||
| 1806 | Y | 26.6 | Very low | 28.8 | Very low | 212 Ų | 212 | 138.3 Ų | 138.3 | 83% | 0.831 | 68% | 0.678 | S | S | * | * | cis | 160.8 | 166.2 | -37.8 | -129.5 | -129.9 | 0 | 0 | 0 | 108.9 | ||||
| 1807 | P | 42.2 | Very low | 28.6 | Very low | 86 Ų | 86 | 133.9 Ų | 133.9 | 56% | 0.558 | 66% | 0.659 | S | S | * | * | -131.9 | -153.7 | -68.9 | 45.9 | -29.6 | 0 | 0 | 0 | 113.4 | |||||
| 1808 | Q | 28 | Very low | 28.5 | Very low | 172 Ų | 172 | 132.1 Ų | 132.1 | 80% | 0.804 | 66% | 0.658 | S | S | * | * | trans | 76.5 | 147.2 | 152.4 | -91.3 | -178.2 | -36.9 | 0 | 0 | 120 | ||||
| 1809 | T | 28.5 | Very low | 28.8 | Very low | 101 Ų | 101 | 128.6 Ų | 128.6 | 62% | 0.62 | 65% | 0.645 | S | S | * | * | cis | -158.1 | 151.3 | -13.3 | -19.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1810 | Q | 26.8 | Very low | 29 | Very low | 157 Ų | 157 | 128.5 Ų | 128.5 | 73% | 0.734 | 64% | 0.639 | S | S | * | * | trans | 58.6 | 136.4 | 140.8 | -93.9 | -179.7 | 31.9 | 0 | 0 | 126.2 | ||||
| 1811 | Q | 27.9 | Very low | 29.1 | Very low | 140 Ų | 140 | 127.6 Ų | 127.6 | 65% | 0.654 | 64% | 0.643 | S | S | * | * | trans | 100.2 | 126.9 | 130.6 | -85.7 | -168.1 | 68 | 0 | 0 | 125 | ||||
| 1812 | Q | 27.5 | Very low | 29.1 | Very low | 177 Ų | 177 | 128.3 Ų | 128.3 | 83% | 0.827 | 64% | 0.644 | S | S | * | * | trans | 82.8 | 168.2 | 139.9 | -76.4 | -160 | 48.9 | 0 | 0 | 122.9 | ||||
| 1813 | L | 29.6 | Very low | 29.3 | Very low | 155 Ų | 155 | 128 Ų | 128 | 81% | 0.812 | 65% | 0.653 | S | S | * | * | trans | -145.2 | 124 | -153.4 | 166.3 | 99.2 | 0 | 0 | 0 | 109.9 | ||||
| 1814 | M | 26.4 | Very low | 29.3 | Very low | 154 Ų | 154 | 128.3 Ų | 128.3 | 76% | 0.759 | 66% | 0.659 | S | S | * | * | trans | -175.3 | 133.9 | 143.7 | -92.3 | -116 | -174.4 | 0 | 0 | 113.1 | ||||
| 1815 | K | 28.3 | Very low | 29.3 | Very low | 133 Ų | 133 | 125.7 Ų | 125.7 | 58% | 0.578 | 66% | 0.662 | S | S | * | * | trans | 34.7 | 124.3 | 138 | -57.3 | -176.7 | 178.1 | -173.2 | 0 | 120.8 | Y470 | Y470-K1815 HydrophobicContact CE1-CB 4.31Å; Y470-K1815 HydrophobicContact CE1-CD 3.69Å | ||
| 1816 | S | 26.4 | Very low | 29.3 | Very low | 68 Ų | 68 | 123.4 Ų | 123.4 | 48% | 0.476 | 66% | 0.658 | S | S | . | * | 111.3 | 104.7 | 117.9 | 72.3 | 0 | 0 | 0 | 0 | 123.5 | Y470 | Y470-S1816 VanDerWaalsContact CB-OG 3.3Å; Y470-S1816 WeakPolarHBondContact CB-OG 3.46Å; Y470-S1816 WeakPolarHBondContact CD1-OG 3.5Å; Y470-S1816 VanDerWaalsContact CG-OG 3.29Å | |||
| 1817 | N | 26.8 | Very low | 29.4 | Very low | 64 Ų | 64 | 121.9 Ų | 121.9 | 34% | 0.342 | 66% | 0.659 | S | S | . | * | 87.2 | -156.4 | 117.1 | -77.9 | -66 | 0 | 0 | 0 | 123.6 | K468 Q469 Y470 | K468-N1817 HydrophobicContact CB-CB 3.99Å; K468-N1817 HydrophobicContact CD-CB 3.99Å; K468-N1817 WeakPolarHBondContact CD-OD1 3.36Å; K468-N1817 HydrophobicContact CG-CB 4.33Å; K468-N1817 WeakPolarHBondContact CG-OD1 3.46Å; K468-N1817 PolarHBondContact NZ-O 3.18Å; Q469-N1817 HydrophobicContact CB-CB 4.25Å; Q469-N1817 WeakPolarHBondContact O-CB 3.35Å; Q469-N1817 PolarHBondContact OE1-ND2 3.06Å; Y470-N1817 HydrophobicContact CD2-CB 4.5Å; Y470-N1817 WeakPolarHBondContact CD2-ND2 3.3Å | |||
| 1818 | T | 26.9 | Very low | 28.8 | Very low | 99 Ų | 99 | 124.9 Ų | 124.9 | 61% | 0.607 | 67% | 0.665 | S | S | * | * | trans | 52.1 | 134 | -163.7 | 59.6 | 0 | 0 | 0 | 0 | 123.7 | K468 | K468-T1818 WeakPolarHBondContact CE-O 2.87Å; K468-T1818 VanDerWaalsContact NZ-C 3.28Å; K468-T1818 PolarHBondContact NZ-O 3.34Å | ||
| 1819 | S | 32.4 | Very low | 28.8 | Very low | 57 Ų | 57 | 123 Ų | 123 | 40% | 0.399 | 66% | 0.659 | S | S | . | * | trans | 79.5 | 152.1 | 169.5 | 97 | 0 | 0 | 0 | 0 | 122.7 | K468 | K468-S1819 WeakPolarHBondContact CE-O 3.16Å; K468-S1819 PolarHBondContact NZ-O 3.48Å | ||
| 1820 | K | 29.6 | Very low | 28.8 | Very low | 103 Ų | 103 | 122.9 Ų | 122.9 | 45% | 0.448 | 66% | 0.659 | S | S | . | * | trans | -164.1 | 124.3 | -163.8 | 179.7 | -159.8 | -158.7 | -173.7 | 0 | 108.5 | V464 G465 I466 I467 | V464-K1820 CarbonylContact C-O 3.56Å; V464-K1820 WeakPolarHBondContact CB-O 3.37Å; V464-K1820 WeakPolarHBondContact CG1-O 3.25Å; G465-K1820 PolarHBondContact N-O 3.32Å; I466-K1820 PolarHBondContact O-NZ 3.49Å; I467-K1820 HydrophobicContact CB-CD 4.16Å | ||
| 1821 | V | 32 | Very low | 28.8 | Very low | 117 Ų | 117 | 122.1 Ų | 122.1 | 71% | 0.709 | 66% | 0.66 | S | S | * | * | trans | -125.2 | 144.3 | -178.1 | -173.8 | 0 | 0 | 0 | 0 | 112.9 | V464 | V464-V1821 HydrophobicContact CB-CG1 4.4Å; V464-V1821 HydrophobicContact CB-CG2 4.46Å; V464-V1821 HydrophobicContact CG2-CG1 4.37Å | ||
| 1822 | K | 30.8 | Very low | 28.9 | Very low | 150 Ų | 150 | 120.9 Ų | 120.9 | 65% | 0.652 | 66% | 0.661 | S | S | * | * | trans | -84.1 | 156.5 | -176.3 | -71 | 168.5 | -179.4 | 180 | 0 | 112.6 | V464 | V464-K1822 HydrophobicContact CG1-CD 4.34Å; V464-K1822 HydrophobicContact CG1-CG 3.84Å; V464-K1822 HydrophobicContact CG2-CB 4.44Å; V464-K1822 HydrophobicContact CG2-CD 4.08Å; V464-K1822 HydrophobicContact CG2-CG 4.17Å | ||
| 1823 | T | 31.4 | Very low | 29.1 | Very low | 140 Ų | 140 | 120.6 Ų | 120.6 | 86% | 0.859 | 66% | 0.658 | S | S | * | * | -144.5 | 150.7 | 123.9 | -25.1 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 1824 | T | 28.5 | Very low | 29.2 | Very low | 125 Ų | 125 | 120.1 Ų | 120.1 | 77% | 0.767 | 65% | 0.651 | S | S | * | * | trans | -152.7 | 159.6 | -179.9 | 45.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1825 | A | 30.9 | Very low | 29.4 | Very low | 88 Ų | 88 | 120.9 Ų | 120.9 | 73% | 0.727 | 65% | 0.65 | S | S | * | * | cis | -127 | 170.6 | 8.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1826 | S | 27.7 | Very low | 29.7 | Very low | 94 Ų | 94 | 121.5 Ų | 121.5 | 66% | 0.657 | 66% | 0.66 | S | S | * | * | 57 | 121.4 | 79.1 | -154.7 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 1827 | Q | 29.7 | Very low | 30.1 | Very low | 180 Ų | 180 | 124.1 Ų | 124.1 | 84% | 0.841 | 67% | 0.673 | S | S | * | * | trans | 65.7 | 150.3 | 165.1 | -64.1 | 161.4 | 9.4 | 0 | 0 | 115.5 | ||||
| 1828 | H | 29.9 | Very low | 30.3 | Very low | 148 Ų | 148 | 133.2 Ų | 133.2 | 69% | 0.685 | 71% | 0.713 | S | S | * | * | cis | -144.2 | 122.9 | 23.4 | 179.1 | -89 | 0 | 0 | 0 | 114.3 | ||||
| 1829 | L | 26.4 | Very low | 30.5 | Very low | 132 Ų | 132 | 135 Ų | 135 | 69% | 0.691 | 72% | 0.718 | S | S | * | * | trans | 52.3 | 149.6 | 145.2 | -132.6 | 76.7 | 0 | 0 | 0 | 124.2 | ||||
| 1830 | T | 29.3 | Very low | 30.4 | Very low | 100 Ų | 100 | 139.1 Ų | 139.1 | 61% | 0.613 | 74% | 0.735 | S | S | * | * | trans | 75.3 | 110.7 | 152.2 | 31.9 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1831 | N | 26.9 | Very low | 30.4 | Very low | 140 Ų | 140 | 141.1 Ų | 141.1 | 75% | 0.749 | 75% | 0.751 | S | S | * | * | 84.4 | 115.4 | 126.9 | -75.3 | -14.8 | 0 | 0 | 0 | 122.5 | |||||
| 1832 | V | 29.3 | Very low | 30.3 | Very low | 114 Ų | 114 | 142.5 Ų | 142.5 | 69% | 0.691 | 75% | 0.753 | S | S | * | * | 85.1 | 112.8 | 122.8 | 173.8 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 1833 | K | 31.5 | Very low | 30.3 | Very low | 172 Ų | 172 | 142 Ų | 142 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | trans | 80.1 | 122.3 | 148 | -79.6 | 170.3 | 178 | -178.3 | 0 | 121.4 | ||||
| 1834 | Q | 31.4 | Very low | 30.2 | Very low | 144 Ų | 144 | 142.1 Ų | 142.1 | 67% | 0.673 | 75% | 0.753 | S | S | * | * | 94.5 | 117.1 | 123.5 | -80.1 | -178.9 | -96.2 | 0 | 0 | 121.3 | |||||
| 1835 | F | 31.1 | Very low | 30.3 | Very low | 170 Ų | 170 | 143.4 Ų | 143.4 | 75% | 0.746 | 75% | 0.752 | S | S | * | * | trans | 64.7 | 124.8 | 155.2 | -71.9 | -102.6 | 0 | 0 | 0 | 116.7 | ||||
| 1836 | L | 34.9 | Very low | 30.3 | Very low | 147 Ų | 147 | 147.6 Ų | 147.6 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | 55.1 | 122.2 | 84.7 | -105.8 | 73.5 | 0 | 0 | 0 | 111.6 | |||||
| 1837 | T | 35.4 | Very low | 30.5 | Very low | 122 Ų | 122 | 152.1 Ų | 152.1 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | cis | -145.6 | 142.6 | 27.7 | 52.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1838 | H | 30.2 | Very low | 30.6 | Very low | 256 Ų | 256 | 149.5 Ų | 149.5 | 100% | 1.185 | 75% | 0.754 | S | S | * | * | -153.7 | 0 | 125.4 | -144.9 | -48.7 | 0 | 0 | 0 | 111 |
Retrieved 1,838 of 1,838 residues in 1774.4 ms
(Link to these results)