| 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 | 28.7 | Very low | 32.9 | Very low | 243 Ų | 243 | 156.8 Ų | 156.8 | 100% | 1.197 | 85% | 0.85 | S | S | * | * | 0 | 78.8 | 0 | -69.8 | 179.2 | -78.2 | 0 | 0 | 108.5 | |||||
| 2 | I | 35.7 | Very low | 32.6 | Very low | 165 Ų | 165 | 155.4 Ų | 155.4 | 85% | 0.846 | 84% | 0.841 | S | S | * | * | trans | -157.7 | 79.5 | 164.8 | -132.2 | 167.1 | 0 | 0 | 0 | 109.3 | ||||
| 3 | C | 32.4 | Very low | 32.5 | Very low | 127 Ų | 127 | 156 Ų | 156 | 86% | 0.858 | 84% | 0.841 | S | S | * | * | trans | -145.5 | 80.1 | 168.3 | -68.5 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 4 | D | 32.1 | Very low | 32.2 | Very low | 162 Ų | 162 | 150.6 Ų | 150.6 | 87% | 0.866 | 84% | 0.84 | S | S | * | * | trans | -160.4 | 155.3 | 171.6 | -101.8 | -42.7 | 0 | 0 | 0 | 109.6 | ||||
| 5 | V | 35.9 | Very low | 31.9 | Very low | 134 Ų | 134 | 147.5 Ų | 147.5 | 81% | 0.812 | 83% | 0.833 | S | S | * | * | trans | 65.5 | 82.4 | 177.4 | -162.5 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 6 | M | 28 | Very low | 31.5 | Very low | 175 Ų | 175 | 149.6 Ų | 149.6 | 86% | 0.862 | 83% | 0.833 | S | S | * | * | S | Bend | -142.3 | 151.3 | 102 | -96 | -159.9 | 72.4 | 0 | 0 | 109.6 | |||
| 7 | P | 45 | Very low | 31.4 | Very low | 107 Ų | 107 | 145.1 Ų | 145.1 | 70% | 0.695 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 139.8 | -145.5 | 32.1 | -36 | 0 | 0 | 0 | 115.1 | ||
| 8 | T | 33 | Very low | 31.2 | Very low | 126 Ų | 126 | 144.8 Ų | 144.8 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 141.4 | 165.1 | -31.1 | 0 | 0 | 0 | 0 | 110.3 | ||
| 9 | I | 29.7 | Very low | 31 | Very low | 151 Ų | 151 | 147.7 Ų | 147.7 | 77% | 0.774 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 125.7 | 168.7 | -61 | 175.3 | 0 | 0 | 0 | 107.5 | ||
| 10 | N | 28.7 | Very low | 31 | Very low | 147 Ų | 147 | 147.9 Ų | 147.9 | 79% | 0.786 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 124.9 | 177.2 | -70.5 | -0 | 0 | 0 | 0 | 110.5 | ||
| 11 | E | 33.1 | Very low | 31.3 | Very low | 188 Ų | 188 | 146 Ų | 146 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | trans | -127.3 | 100.7 | 157.1 | -70.3 | -169.1 | 178.3 | 0 | 0 | 108.4 | ||||
| 12 | D | 29.3 | Very low | 31.7 | Very low | 140 Ų | 140 | 142.9 Ų | 142.9 | 75% | 0.749 | 81% | 0.805 | S | S | * | * | trans | -132.7 | 105.9 | 176.7 | -160 | 6.3 | 0 | 0 | 0 | 109.8 | ||||
| 13 | I | 30.5 | Very low | 31.9 | Very low | 163 Ų | 163 | 139.2 Ų | 139.2 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | trans | 35 | 106 | 155.4 | -55.5 | 172.3 | 0 | 0 | 0 | 117.4 | ||||
| 14 | G | 28.8 | Very low | 32.4 | Very low | 80 Ų | 80 | 136.2 Ų | 136.2 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | trans | -153.2 | 92 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 15 | S | 27.6 | Very low | 32.9 | Very low | 105 Ų | 105 | 132.6 Ų | 132.6 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | trans | -62.8 | 144 | 178.7 | 52.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 16 | Q | 25.8 | Very low | 33.5 | Very low | 180 Ų | 180 | 131.2 Ų | 131.2 | 84% | 0.841 | 75% | 0.751 | S | S | * | * | 162.4 | 113.4 | 109.5 | -163.7 | 78.6 | -8.5 | 0 | 0 | 113.8 | |||||
| 17 | G | 29.5 | Very low | 34.3 | Very low | 74 Ų | 74 | 126.2 Ų | 126.2 | 76% | 0.763 | 74% | 0.744 | S | S | * | * | trans | 79.7 | 155.6 | 161.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 18 | D | 27.1 | Very low | 34.3 | Very low | 140 Ų | 140 | 128.1 Ų | 128.1 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | cis | -157.5 | 146.9 | -7.7 | -159.5 | 22.6 | 0 | 0 | 0 | 112.1 | ||||
| 19 | R | 28.6 | Very low | 35.2 | Very low | 199 Ų | 199 | 128.4 Ų | 128.4 | 75% | 0.751 | 75% | 0.751 | S | S | * | * | trans | 64 | 105 | 162.5 | -69.7 | 165.5 | -175 | -124.8 | -12.6 | 123.6 | ||||
| 20 | D | 30.9 | Very low | 36.6 | Very low | 151 Ų | 151 | 123.8 Ų | 123.8 | 81% | 0.807 | 73% | 0.729 | S | S | * | * | 54.2 | 105.4 | 114.8 | -50.1 | -29.8 | 0 | 0 | 0 | 123 | |||||
| 21 | S | 36.5 | Very low | 38.4 | Very low | 110 Ų | 110 | 124 Ų | 124 | 77% | 0.769 | 73% | 0.726 | S | S | * | * | -163.6 | 98.2 | 128.7 | 67.5 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 22 | L | 37.2 | Very low | 40.2 | Very low | 176 Ų | 176 | 120 Ų | 120 | 92% | 0.921 | 71% | 0.711 | S | S | * | * | trans | 62.7 | 168.2 | 155 | -78.1 | 87 | 0 | 0 | 0 | 121.2 | ||||
| 23 | V | 40.6 | Very low | 42.2 | Very low | 88 Ų | 88 | 116.1 Ų | 116.1 | 53% | 0.533 | 69% | 0.688 | S | S | . | * | trans | -148.5 | 161.1 | -152.5 | 176.2 | 0 | 0 | 0 | 0 | 111.1 | C1168 | V23-C1168 HydrophobicContact CG1-CB 4.24Å; V23-C1168 VanDerWaalsContact CG1-SG 3.51Å | ||
| 24 | S | 42.3 | Very low | 44.1 | Very low | 64 Ų | 64 | 112.5 Ų | 112.5 | 45% | 0.448 | 67% | 0.67 | S | S | . | * | trans | 129.1 | 112.4 | 144.7 | -73.5 | 0 | 0 | 0 | 0 | 117.9 | C1168 Q1169 Y1170 | S24-C1168 WeakPolarHBondContact CA-O 3.3Å; S24-Q1169 CarbonylContact C-O 3.52Å; S24-Q1169 WeakPolarHBondContact CA-O 3.28Å; S24-Q1169 WeakPolarHBondContact CB-O 3.22Å; S24-Q1169 PolarHBondContact OG-O 3.05Å; S24-Y1170 WeakPolarHBondContact CB-O 3.29Å; S24-Y1170 PolarHBondContact OG-O 3.06Å | ||
| 25 | A | 42.8 | Very low | 46.3 | Very low | 86 Ų | 86 | 114 Ų | 114 | 71% | 0.711 | 66% | 0.659 | S | S | * | * | trans | -173.9 | 140 | 152.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | C1168 Q1169 | A25-C1168 PolarHBondContact N-O 3.25Å; A25-Q1169 PolarHBondContact N-O 2.9Å | ||
| 26 | D | 48.1 | Very low | 48.5 | Very low | 106 Ų | 106 | 109.2 Ų | 109.2 | 57% | 0.567 | 63% | 0.625 | S | S | * | * | trans | -108.8 | 173.1 | -176.4 | -65.9 | -49.5 | 0 | 0 | 0 | 114.9 | Q1169 Y1170 | D26-Q1169 PolarHBondContact OD1-N 2.94Å; D26-Q1169 VanDerWaalsContact OD2-C 3.27Å; D26-Y1170 PolarHBondContact OD2-N 2.75Å | ||
| 27 | G | 45.4 | Very low | 50.6 | Low | 70 Ų | 70 | 104.4 Ų | 104.4 | 72% | 0.722 | 60% | 0.604 | S | S | * | * | trans | -148.9 | 172.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 28 | T | 45.6 | Very low | 52.8 | Low | 147 Ų | 147 | 105.1 Ų | 105.1 | 90% | 0.902 | 59% | 0.59 | S | S | * | * | trans | -103.6 | 167.4 | -160.2 | 46 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 29 | N | 51.8 | Low | 55.4 | Low | 132 Ų | 132 | 102.2 Ų | 102.2 | 71% | 0.706 | 58% | 0.575 | S | S | * | * | trans | -100.7 | 167.7 | -163.7 | -69.7 | -29.3 | 0 | 0 | 0 | 115.9 | ||||
| 30 | V | 57.8 | Low | 57.8 | Low | 53 Ų | 53 | 95.8 Ų | 95.8 | 32% | 0.321 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -96.1 | -11.9 | -167.9 | 164.8 | 0 | 0 | 0 | 0 | 114.8 | M33 L34 P1038 | V30-M33 PolarHBondContact O-N 3.34Å; V30-L34 HydrophobicContact CG1-CD1 4.23Å; V30-L34 HydrophobicContact CG1-CG 4.42Å; V30-L34 PolarHBondContact O-N 3.36Å; V30-P1038 HydrophobicContact CB-CB 4.44Å; V30-P1038 HydrophobicContact CG1-CB 4.19Å; V30-P1038 HydrophobicContact CG2-CB 4.21Å |
| 31 | E | 67.2 | Low | 60 | Low | 152 Ų | 152 | 94.3 Ų | 94.3 | 71% | 0.71 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -72.2 | -44 | -163 | -61.3 | -175.2 | 139.7 | 0 | 0 | 114.5 | M33 L34 L35 | E31-M33 PolarHBondContact O-N 3.14Å; E31-M33 VanDerWaalsContact O-N 3.08Å; E31-L34 PolarHBondContact O-N 3.3Å; E31-L35 PolarHBondContact O-N 3.42Å; E31-L35 VanDerWaalsContact O-N 3.16Å |
| 32 | D | 71.8 | Confident | 62 | Low | 104 Ų | 104 | 92.6 Ų | 92.6 | 56% | 0.556 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -53.3 | -33.7 | 177.2 | -60.1 | -39.5 | 0 | 0 | 0 | 111.7 | S36 | D32-S36 WeakPolarHBondContact O-CB 3.42Å; D32-S36 PolarHBondContact O-N 3.14Å |
| 33 | M | 71.4 | Confident | 64 | Low | 58 Ų | 58 | 91.2 Ų | 91.2 | 29% | 0.286 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -77.8 | -29.5 | -179.4 | -80.1 | 140.4 | 148.2 | 0 | 0 | 113.6 | V30 E31 S36 M37 P1038 P1040 | V30-M33 PolarHBondContact O-N 3.34Å; E31-M33 PolarHBondContact O-N 3.14Å; E31-M33 VanDerWaalsContact O-N 3.08Å; M33-S36 CarbonylContact O-C 3.58Å; M33-S36 PolarHBondContact O-N 3.49Å; M33-M37 WeakPolarHBondContact O-CG 3.45Å; M33-M37 PolarHBondContact O-N 3.34Å; M33-P1038 VanDerWaalsContact CB-C 3.42Å; M33-P1038 VanDerWaalsContact CB-CA 3.42Å; M33-P1038 HydrophobicContact CB-CB 3.65Å; M33-P1038 HydrophobicContact CE-CB 4.46Å; M33-P1038 WeakPolarHBondContact CE-O 3.37Å; M33-P1038 VanDerWaalsContact CG-C 3.49Å; M33-P1038 HydrophobicContact CG-CB 3.96Å; M33-P1038 HydrophobicContact SD-CB 3.48Å; M33-P1038 WeakPolarHBondContact SD-CB 3.46Å; M33-P1038 HydrophobicContact SD-CG 4.17Å; M33-P1040 HydrophobicContact CB-CB 4.34Å; M33-P1040 HydrophobicContact CE-CG 3.69Å; M33-P1040 HydrophobicContact CG-CB 3.54Å; M33-P1040 HydrophobicContact CG-CG 3.45Å; M33-P1040 VanDerWaalsContact CG-CG 3.45Å; M33-P1040 HydrophobicContact SD-CG 4.35Å |
| 34 | L | 70 | Confident | 65.8 | Low | 87 Ų | 87 | 92.6 Ų | 92.6 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -78.2 | -35.8 | 173.8 | -71.3 | 175.3 | 0 | 0 | 0 | 112.4 | V30 E31 S36 M37 | V30-L34 HydrophobicContact CG1-CD1 4.23Å; V30-L34 HydrophobicContact CG1-CG 4.42Å; V30-L34 PolarHBondContact O-N 3.36Å; E31-L34 PolarHBondContact O-N 3.3Å; L34-S36 VanDerWaalsContact C-N 3.28Å; L34-M37 PolarHBondContact O-N 3.08Å; L34-M37 VanDerWaalsContact O-N 3.1Å |
| 35 | L | 75.4 | Confident | 67.3 | Low | 111 Ų | 111 | 92.9 Ų | 92.9 | 58% | 0.581 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -54.3 | -52.5 | 164.7 | -77.2 | 163.8 | 0 | 0 | 0 | 109.4 | E31 M37 L38 R1041 | E31-L35 PolarHBondContact O-N 3.42Å; E31-L35 VanDerWaalsContact O-N 3.16Å; L35-M37 PolarHBondContact O-N 3.18Å; L35-L38 PolarHBondContact O-N 3.21Å; L35-R1041 PolarHBondContact O-NH1 3.42Å |
| 36 | S | 73 | Confident | 68.6 | Low | 5 Ų | 5 | 92.6 Ų | 92.6 | 4% | 0.035 | 48% | 0.484 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | 22.3 | 176.7 | -154.6 | 0 | 0 | 0 | 0 | 114.3 | D32 M33 L34 P1040 R1041 | D32-S36 WeakPolarHBondContact O-CB 3.42Å; D32-S36 PolarHBondContact O-N 3.14Å; M33-S36 CarbonylContact O-C 3.58Å; M33-S36 PolarHBondContact O-N 3.49Å; L34-S36 VanDerWaalsContact C-N 3.28Å; S36-P1040 WeakPolarHBondContact OG-CA 3.48Å; S36-R1041 VanDerWaalsContact CA-NH1 3.32Å; S36-R1041 WeakPolarHBondContact O-CD 3.14Å; S36-R1041 PolarHBondContact O-NE 3.33Å; S36-R1041 PolarHBondContact O-NH1 3.43Å; S36-R1041 VanDerWaalsContact OG-C 3.32Å; S36-R1041 WeakPolarHBondContact OG-CA 3.42Å; S36-R1041 WeakPolarHBondContact OG-CD 3.43Å; S36-R1041 PolarHBondContact OG-N 3.38Å; S36-R1041 PolarHBondContact OG-O 2.98Å |
| 37 | M | 70.2 | Confident | 69.9 | Low | 79 Ų | 79 | 89.3 Ų | 89.3 | 39% | 0.389 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.6 | -0.5 | 158.2 | -78.7 | -149.5 | 68 | 0 | 0 | 114 | M33 L34 L35 I1037 N1039 R1041 | M33-M37 WeakPolarHBondContact O-CG 3.45Å; M33-M37 PolarHBondContact O-N 3.34Å; L34-M37 PolarHBondContact O-N 3.08Å; L34-M37 VanDerWaalsContact O-N 3.1Å; L35-M37 PolarHBondContact O-N 3.18Å; M37-I1037 HydrophobicContact SD-CG2 3.89Å; M37-N1039 HydrophobicContact CG-CB 4.16Å; M37-N1039 WeakPolarHBondContact CG-O 3.39Å; M37-N1039 HydrophobicContact SD-CB 3.92Å; M37-R1041 PolarHBondContact O-NH2 3.2Å; M37-R1041 VanDerWaalsContact O-NH2 3.07Å |
| 38 | L | 74.7 | Confident | 71 | Confident | 90 Ų | 90 | 91.4 Ų | 91.4 | 47% | 0.471 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -91.3 | -82.8 | 171.9 | -59.8 | 177.3 | 0 | 0 | 0 | 112.6 | L35 E40 R41 R1041 | L35-L38 PolarHBondContact O-N 3.21Å; L38-E40 PolarHBondContact O-N 3.28Å; L38-E40 VanDerWaalsContact O-N 3.11Å; L38-R41 WeakPolarHBondContact O-CA 3.37Å; L38-R41 WeakPolarHBondContact O-CB 3.48Å; L38-R41 PolarHBondContact O-N 3.3Å; L38-R1041 VanDerWaalsContact N-NH1 3.17Å; L38-R1041 VanDerWaalsContact N-NH2 3.15Å; L38-R1041 PolarHBondContact O-NH2 3.06Å |
| 39 | D | 81.5 | Confident | 72.2 | Confident | 79 Ų | 79 | 91.2 Ų | 91.2 | 42% | 0.422 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -19.8 | -67 | 177.2 | -12.4 | -53.8 | 0 | 0 | 0 | 118.9 | R41 D42 R43 R1041 | D39-R41 PolarHBondContact O-N 2.57Å; D39-D42 CarbonylContact O-C 3.36Å; D39-D42 WeakPolarHBondContact O-CA 3.44Å; D39-D42 WeakPolarHBondContact O-CB 3.43Å; D39-D42 PolarHBondContact O-N 2.93Å; D39-R43 PolarHBondContact O-N 3Å; D39-R1041 VanDerWaalsContact CA-NH1 3.34Å; D39-R1041 VanDerWaalsContact CB-NH1 3.29Å; D39-R1041 IonicContact OD1-NH1 2.68Å; D39-R1041 IonicContact OD2-CZ 2.78Å; D39-R1041 IonicContact OD2-NH1 3.88Å; D39-R1041 PolarHBondContact OD2-NH1 3.18Å |
| 40 | E | 79.2 | Confident | 73.3 | Confident | 63 Ų | 63 | 90.3 Ų | 90.3 | 29% | 0.294 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -57.7 | -27.9 | 178.2 | -169.6 | 81.8 | 176.2 | 0 | 0 | 113.8 | L38 D42 R43 L44 R1041 | L38-E40 PolarHBondContact O-N 3.28Å; L38-E40 VanDerWaalsContact O-N 3.11Å; E40-D42 VanDerWaalsContact C-N 3.27Å; E40-D42 PolarHBondContact O-N 3.47Å; E40-R43 PolarHBondContact O-N 3.38Å; E40-R43 IonicContact OE1-NH1 3.16Å; E40-R43 WeakPolarHBondContact OE2-CD 3.21Å; E40-R43 IonicContact OE2-CZ 3.82Å; E40-R43 IonicContact OE2-NE 3.81Å; E40-R43 IonicContact OE2-NH1 2.77Å; E40-R43 PolarHBondContact OE2-NH1 3.3Å; E40-L44 HydrophobicContact CG-CD1 4.3Å; E40-L44 HydrophobicContact CG-CG 4.47Å; E40-L44 VanDerWaalsContact O-CB 3.32Å; E40-L44 WeakPolarHBondContact O-CB 3.34Å; E40-L44 WeakPolarHBondContact O-CG 3.37Å; E40-L44 PolarHBondContact O-N 3.19Å; E40-R1041 HydrophobicContact CB-CG 3.77Å; E40-R1041 VanDerWaalsContact CB-CZ 3.44Å; E40-R1041 HydrophobicContact CG-CG 4.28Å |
| 41 | R | 77.9 | Confident | 73.9 | Confident | 121 Ų | 121 | 90.8 Ų | 90.8 | 46% | 0.457 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 169.5 | -174.8 | -156.6 | 68.8 | -169.2 | -6.8 | 109.7 | L38 D39 L44 M45 | L38-R41 WeakPolarHBondContact O-CA 3.37Å; L38-R41 WeakPolarHBondContact O-CB 3.48Å; L38-R41 PolarHBondContact O-N 3.3Å; D39-R41 PolarHBondContact O-N 2.57Å; R41-L44 PolarHBondContact O-N 3.03Å; R41-M45 WeakPolarHBondContact O-CG 3.41Å; R41-M45 PolarHBondContact O-N 3.18Å |
| 42 | D | 77.8 | Confident | 73.7 | Confident | 74 Ų | 74 | 88 Ų | 88 | 40% | 0.396 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -76.5 | -32.3 | -178.2 | -59.9 | -21.1 | 0 | 0 | 0 | 110.7 | D39 E40 M45 E46 | D39-D42 CarbonylContact O-C 3.36Å; D39-D42 WeakPolarHBondContact O-CA 3.44Å; D39-D42 WeakPolarHBondContact O-CB 3.43Å; D39-D42 PolarHBondContact O-N 2.93Å; E40-D42 VanDerWaalsContact C-N 3.27Å; E40-D42 PolarHBondContact O-N 3.47Å; D42-M45 WeakPolarHBondContact O-CB 3.2Å; D42-M45 PolarHBondContact O-N 3.05Å; D42-E46 PolarHBondContact O-N 3.49Å |
| 43 | R | 79.4 | Confident | 74 | Confident | 147 Ų | 147 | 89.5 Ų | 89.5 | 56% | 0.555 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -61.3 | -43 | 167.2 | -161.8 | -172 | -170.4 | -172.4 | 1 | 112.8 | D39 E40 E46 G47 | D39-R43 PolarHBondContact O-N 3Å; E40-R43 PolarHBondContact O-N 3.38Å; E40-R43 IonicContact OE1-NH1 3.16Å; E40-R43 WeakPolarHBondContact OE2-CD 3.21Å; E40-R43 IonicContact OE2-CZ 3.82Å; E40-R43 IonicContact OE2-NE 3.81Å; E40-R43 IonicContact OE2-NH1 2.77Å; E40-R43 PolarHBondContact OE2-NH1 3.3Å; R43-E46 PolarHBondContact O-N 3.45Å; R43-G47 PolarHBondContact O-N 3.11Å |
| 44 | L | 79.2 | Confident | 74 | Confident | 117 Ų | 117 | 92.9 Ų | 92.9 | 61% | 0.613 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -69.7 | -32.7 | 175.3 | -73.2 | 167.5 | 0 | 0 | 0 | 112 | E40 R41 L48 | E40-L44 HydrophobicContact CG-CD1 4.3Å; E40-L44 HydrophobicContact CG-CG 4.47Å; E40-L44 VanDerWaalsContact O-CB 3.32Å; E40-L44 WeakPolarHBondContact O-CB 3.34Å; E40-L44 WeakPolarHBondContact O-CG 3.37Å; E40-L44 PolarHBondContact O-N 3.19Å; R41-L44 PolarHBondContact O-N 3.03Å; L44-L48 WeakPolarHBondContact O-CB 3.47Å; L44-L48 PolarHBondContact O-N 3.46Å; L44-L48 VanDerWaalsContact O-N 3.13Å |
| 45 | M | 72.2 | Confident | 74 | Confident | 69 Ų | 69 | 91.2 Ų | 91.2 | 34% | 0.34 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.8 | -44 | 171.8 | -74.4 | -62.9 | -47 | 0 | 0 | 111.8 | R41 D42 L48 R49 | R41-M45 WeakPolarHBondContact O-CG 3.41Å; R41-M45 PolarHBondContact O-N 3.18Å; D42-M45 WeakPolarHBondContact O-CB 3.2Å; D42-M45 PolarHBondContact O-N 3.05Å; M45-L48 PolarHBondContact O-N 3.19Å; M45-R49 PolarHBondContact O-N 2.98Å; M45-R49 VanDerWaalsContact O-N 3.13Å |
| 46 | E | 71.1 | Confident | 73.9 | Confident | 81 Ų | 81 | 89.8 Ų | 89.8 | 38% | 0.379 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -68 | -44.7 | 179.2 | -163.4 | 60.5 | -131.3 | 0 | 0 | 111.7 | D42 R43 L48 R49 E50 | D42-E46 PolarHBondContact O-N 3.49Å; R43-E46 PolarHBondContact O-N 3.45Å; E46-L48 PolarHBondContact O-N 3.12Å; E46-R49 WeakPolarHBondContact O-CA 3.24Å; E46-R49 VanDerWaalsContact O-CB 3.31Å; E46-R49 WeakPolarHBondContact O-CB 3.48Å; E46-R49 PolarHBondContact O-N 3.17Å; E46-R49 IonicContact OE1-CZ 2.77Å; E46-R49 IonicContact OE1-NE 3.44Å; E46-R49 PolarHBondContact OE1-NE 2.92Å; E46-R49 IonicContact OE1-NH2 2.74Å; E46-R49 PolarHBondContact OE1-NH2 2.99Å; E46-R49 IonicContact OE2-NE 2.68Å; E46-R49 IonicContact OE2-NH2 3.42Å; E46-E50 PolarHBondContact O-N 3.39Å |
| 47 | G | 75.4 | Confident | 73.9 | Confident | 37 Ų | 37 | 94 Ų | 94 | 38% | 0.381 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.2 | -30.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | R43 S51 | R43-G47 PolarHBondContact O-N 3.11Å; G47-S51 VanDerWaalsContact O-CB 3.3Å; G47-S51 WeakPolarHBondContact O-CB 3.34Å; G47-S51 PolarHBondContact O-N 3.35Å; G47-S51 VanDerWaalsContact O-N 3.12Å |
| 48 | L | 68 | Low | 73.9 | Confident | 113 Ų | 113 | 94.1 Ų | 94.1 | 59% | 0.592 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -69.2 | -35.5 | 171.2 | -177.6 | 62.2 | 0 | 0 | 0 | 112 | L44 M45 E46 Q52 | L44-L48 WeakPolarHBondContact O-CB 3.47Å; L44-L48 PolarHBondContact O-N 3.46Å; L44-L48 VanDerWaalsContact O-N 3.13Å; M45-L48 PolarHBondContact O-N 3.19Å; E46-L48 PolarHBondContact O-N 3.12Å; L48-Q52 WeakPolarHBondContact O-CB 3.46Å; L48-Q52 PolarHBondContact O-N 3.49Å; L48-Q52 VanDerWaalsContact O-N 3.1Å |
| 49 | R | 71.2 | Confident | 73.7 | Confident | 144 Ų | 144 | 97.4 Ų | 97.4 | 54% | 0.543 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -69 | -48.1 | 178 | -160.6 | 173.3 | 74.7 | 106.1 | 5.6 | 111.6 | M45 E46 S51 Q52 E53 | M45-R49 PolarHBondContact O-N 2.98Å; M45-R49 VanDerWaalsContact O-N 3.13Å; E46-R49 WeakPolarHBondContact O-CA 3.24Å; E46-R49 VanDerWaalsContact O-CB 3.31Å; E46-R49 WeakPolarHBondContact O-CB 3.48Å; E46-R49 PolarHBondContact O-N 3.17Å; E46-R49 IonicContact OE1-CZ 2.77Å; E46-R49 IonicContact OE1-NE 3.44Å; E46-R49 PolarHBondContact OE1-NE 2.92Å; E46-R49 IonicContact OE1-NH2 2.74Å; E46-R49 PolarHBondContact OE1-NH2 2.99Å; E46-R49 IonicContact OE2-NE 2.68Å; E46-R49 IonicContact OE2-NH2 3.42Å; R49-S51 VanDerWaalsContact C-N 3.34Å; R49-S51 PolarHBondContact O-N 2.99Å; R49-Q52 PolarHBondContact O-N 3.38Å; R49-E53 PolarHBondContact O-N 3.35Å; R49-E53 VanDerWaalsContact O-N 3.1Å |
| 50 | E | 75.4 | Confident | 73.2 | Confident | 112 Ų | 112 | 98.1 Ų | 98.1 | 52% | 0.523 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59 | -43.1 | 174.3 | -67.6 | -176.4 | 162.4 | 0 | 0 | 111.9 | E46 Q52 E53 Q54 | E46-E50 PolarHBondContact O-N 3.39Å; E50-Q52 PolarHBondContact O-N 3.41Å; E50-E53 PolarHBondContact O-N 2.97Å; E50-Q54 PolarHBondContact O-N 3.44Å |
| 51 | S | 69.8 | Low | 72.5 | Confident | 63 Ų | 63 | 101.4 Ų | 101.4 | 44% | 0.441 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.6 | -42.5 | 177.5 | -173.2 | 0 | 0 | 0 | 0 | 112.2 | G47 R49 E53 Q54 V55 | G47-S51 VanDerWaalsContact O-CB 3.3Å; G47-S51 WeakPolarHBondContact O-CB 3.34Å; G47-S51 PolarHBondContact O-N 3.35Å; G47-S51 VanDerWaalsContact O-N 3.12Å; R49-S51 VanDerWaalsContact C-N 3.34Å; R49-S51 PolarHBondContact O-N 2.99Å; S51-E53 VanDerWaalsContact C-N 3.33Å; S51-E53 PolarHBondContact O-N 3.49Å; S51-Q54 PolarHBondContact O-N 3.49Å; S51-V55 WeakPolarHBondContact O-CB 3.35Å; S51-V55 VanDerWaalsContact O-CG2 3.31Å; S51-V55 WeakPolarHBondContact O-CG2 3.47Å; S51-V55 PolarHBondContact O-N 3.14Å |
| 52 | Q | 63.1 | Low | 71.9 | Confident | 93 Ų | 93 | 100.7 Ų | 100.7 | 44% | 0.435 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.2 | -33.3 | 177.3 | -175.2 | 68.9 | -4.5 | 0 | 0 | 112.4 | L48 R49 E50 N56 | L48-Q52 WeakPolarHBondContact O-CB 3.46Å; L48-Q52 PolarHBondContact O-N 3.49Å; L48-Q52 VanDerWaalsContact O-N 3.1Å; R49-Q52 PolarHBondContact O-N 3.38Å; E50-Q52 PolarHBondContact O-N 3.41Å; Q52-N56 PolarHBondContact O-N 3.06Å; Q52-N56 PolarHBondContact O-ND2 3.49Å |
| 53 | E | 78.1 | Confident | 71.7 | Confident | 136 Ų | 136 | 101 Ų | 101 | 64% | 0.636 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68.5 | -45.8 | 175.2 | -170.8 | 159.9 | -157.3 | 0 | 0 | 111.7 | R49 E50 S51 V55 N56 E57 | R49-E53 PolarHBondContact O-N 3.35Å; R49-E53 VanDerWaalsContact O-N 3.1Å; E50-E53 PolarHBondContact O-N 2.97Å; S51-E53 VanDerWaalsContact C-N 3.33Å; S51-E53 PolarHBondContact O-N 3.49Å; E53-V55 VanDerWaalsContact C-N 3.3Å; E53-V55 PolarHBondContact O-N 3.13Å; E53-N56 PolarHBondContact O-N 3.4Å; E53-E57 PolarHBondContact O-N 3.46Å |
| 54 | Q | 71.3 | Confident | 71.5 | Confident | 129 Ų | 129 | 98.9 Ų | 98.9 | 60% | 0.603 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.4 | -37.3 | 173.8 | -67.3 | -178.7 | 21.4 | 0 | 0 | 112.7 | E50 S51 N56 E57 T58 | E50-Q54 PolarHBondContact O-N 3.44Å; S51-Q54 PolarHBondContact O-N 3.49Å; Q54-N56 VanDerWaalsContact C-N 3.27Å; Q54-N56 PolarHBondContact O-N 3.12Å; Q54-E57 PolarHBondContact O-N 3.43Å; Q54-T58 WeakPolarHBondContact O-CB 3.44Å; Q54-T58 WeakPolarHBondContact O-CG2 3.48Å; Q54-T58 PolarHBondContact O-N 3.22Å; Q54-T58 PolarHBondContact O-OG1 2.95Å |
| 55 | V | 70.1 | Confident | 70.6 | Confident | 52 Ų | 52 | 97.5 Ų | 97.5 | 32% | 0.315 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.6 | -26.9 | 175.6 | 164.7 | 0 | 0 | 0 | 0 | 112.4 | S51 E53 T58 R59 | S51-V55 WeakPolarHBondContact O-CB 3.35Å; S51-V55 VanDerWaalsContact O-CG2 3.31Å; S51-V55 WeakPolarHBondContact O-CG2 3.47Å; S51-V55 PolarHBondContact O-N 3.14Å; E53-V55 VanDerWaalsContact C-N 3.3Å; E53-V55 PolarHBondContact O-N 3.13Å; V55-T58 WeakPolarHBondContact CA-OG1 3.42Å; V55-T58 PolarHBondContact O-OG1 3.49Å; V55-R59 VanDerWaalsContact CG1-NH1 3.32Å; V55-R59 WeakPolarHBondContact O-CG 3.36Å |
| 56 | N | 72.7 | Confident | 70.6 | Confident | 81 Ų | 81 | 98.2 Ų | 98.2 | 43% | 0.433 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -81.4 | -41.3 | 174.2 | -70.2 | -29.1 | 0 | 0 | 0 | 112 | Q52 E53 Q54 R59 T60 | Q52-N56 PolarHBondContact O-N 3.06Å; Q52-N56 PolarHBondContact O-ND2 3.49Å; E53-N56 PolarHBondContact O-N 3.4Å; Q54-N56 VanDerWaalsContact C-N 3.27Å; Q54-N56 PolarHBondContact O-N 3.12Å; N56-R59 PolarHBondContact O-N 3.24Å; N56-T60 PolarHBondContact O-N 3.45Å |
| 57 | E | 74.5 | Confident | 70.9 | Confident | 95 Ų | 95 | 100.6 Ų | 100.6 | 44% | 0.444 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.3 | -37.8 | 177.2 | -157.8 | -161.3 | -174.1 | 0 | 0 | 112.4 | E53 Q54 R59 T60 R61 | E53-E57 PolarHBondContact O-N 3.46Å; Q54-E57 PolarHBondContact O-N 3.43Å; E57-R59 VanDerWaalsContact C-N 3.31Å; E57-R59 PolarHBondContact O-N 2.98Å; E57-T60 PolarHBondContact O-N 3.42Å; E57-T60 PolarHBondContact O-OG1 3.43Å; E57-R61 WeakPolarHBondContact O-CG 3.43Å; E57-R61 PolarHBondContact O-N 2.96Å; E57-R61 VanDerWaalsContact O-N 3.09Å; E57-R61 IonicContact OE1-CZ 3.61Å; E57-R61 IonicContact OE1-NE 3.93Å; E57-R61 PolarHBondContact OE1-NE 2.8Å; E57-R61 IonicContact OE1-NH2 2.68Å; E57-R61 PolarHBondContact OE1-NH2 3Å; E57-R61 IonicContact OE2-CZ 3.65Å; E57-R61 IonicContact OE2-NE 3.91Å; E57-R61 IonicContact OE2-NH2 2.74Å; E57-R61 PolarHBondContact OE2-NH2 2.67Å |
| 58 | T | 68.8 | Low | 70.4 | Confident | 81 Ų | 81 | 103.8 Ų | 103.8 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.7 | -32.5 | 175.1 | 47.1 | 0 | 0 | 0 | 0 | 112.6 | Q54 V55 L62 | Q54-T58 WeakPolarHBondContact O-CB 3.44Å; Q54-T58 WeakPolarHBondContact O-CG2 3.48Å; Q54-T58 PolarHBondContact O-N 3.22Å; Q54-T58 PolarHBondContact O-OG1 2.95Å; V55-T58 WeakPolarHBondContact CA-OG1 3.42Å; V55-T58 PolarHBondContact O-OG1 3.49Å; T58-L62 WeakPolarHBondContact O-CB 3.45Å; T58-L62 PolarHBondContact O-N 2.88Å |
| 59 | R | 70.7 | Confident | 70.3 | Confident | 159 Ų | 159 | 103.5 Ų | 103.5 | 60% | 0.6 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -67.2 | -41.9 | 173.3 | -80.8 | -178 | 176.4 | 119.9 | 4.2 | 113.1 | V55 N56 E57 L62 S63 | V55-R59 VanDerWaalsContact CG1-NH1 3.32Å; V55-R59 WeakPolarHBondContact O-CG 3.36Å; N56-R59 PolarHBondContact O-N 3.24Å; E57-R59 VanDerWaalsContact C-N 3.31Å; E57-R59 PolarHBondContact O-N 2.98Å; R59-L62 PolarHBondContact O-N 3.44Å; R59-S63 PolarHBondContact O-N 3.05Å |
| 60 | T | 71.3 | Confident | 70.5 | Confident | 94 Ų | 94 | 100.5 Ų | 100.5 | 58% | 0.577 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67.9 | -43 | 178.5 | 53.3 | 0 | 0 | 0 | 0 | 111.3 | N56 E57 L62 S63 E64 | N56-T60 PolarHBondContact O-N 3.45Å; E57-T60 PolarHBondContact O-N 3.42Å; E57-T60 PolarHBondContact O-OG1 3.43Å; T60-L62 VanDerWaalsContact C-N 3.34Å; T60-L62 PolarHBondContact O-N 2.96Å; T60-S63 PolarHBondContact O-N 3.38Å; T60-E64 PolarHBondContact O-N 3.05Å |
| 61 | R | 65.2 | Low | 70.5 | Confident | 132 Ų | 132 | 100 Ų | 100 | 50% | 0.498 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.5 | -39.8 | 174.1 | -68 | 176.3 | -175.1 | -171.8 | 5 | 112.7 | E57 E64 V65 | E57-R61 WeakPolarHBondContact O-CG 3.43Å; E57-R61 PolarHBondContact O-N 2.96Å; E57-R61 VanDerWaalsContact O-N 3.09Å; E57-R61 IonicContact OE1-CZ 3.61Å; E57-R61 IonicContact OE1-NE 3.93Å; E57-R61 PolarHBondContact OE1-NE 2.8Å; E57-R61 IonicContact OE1-NH2 2.68Å; E57-R61 PolarHBondContact OE1-NH2 3Å; E57-R61 IonicContact OE2-CZ 3.65Å; E57-R61 IonicContact OE2-NE 3.91Å; E57-R61 IonicContact OE2-NH2 2.74Å; E57-R61 PolarHBondContact OE2-NH2 2.67Å; R61-E64 PolarHBondContact O-N 3.33Å; R61-V65 WeakPolarHBondContact O-CG2 3.46Å; R61-V65 PolarHBondContact O-N 2.89Å |
| 62 | L | 65.1 | Low | 69.9 | Low | 105 Ų | 105 | 101.1 Ų | 101.1 | 55% | 0.55 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.5 | -48.1 | 177.1 | 178.6 | 61.6 | 0 | 0 | 0 | 112 | T58 R59 T60 E64 V65 E66 | T58-L62 WeakPolarHBondContact O-CB 3.45Å; T58-L62 PolarHBondContact O-N 2.88Å; R59-L62 PolarHBondContact O-N 3.44Å; T60-L62 VanDerWaalsContact C-N 3.34Å; T60-L62 PolarHBondContact O-N 2.96Å; L62-E64 VanDerWaalsContact C-N 3.26Å; L62-E64 PolarHBondContact O-N 2.93Å; L62-V65 PolarHBondContact O-N 3.35Å; L62-V65 VanDerWaalsContact O-N 3.13Å; L62-E66 HydrophobicContact CD1-CG 4.45Å; L62-E66 PolarHBondContact O-N 3.38Å |
| 63 | S | 73.4 | Confident | 70.1 | Confident | 80 Ų | 80 | 102.7 Ų | 102.7 | 56% | 0.559 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.1 | -32.9 | -179.1 | -172.2 | 0 | 0 | 0 | 0 | 112.8 | R59 T60 R67 | R59-S63 PolarHBondContact O-N 3.05Å; T60-S63 PolarHBondContact O-N 3.38Å; S63-R67 PolarHBondContact O-N 3.5Å |
| 64 | E | 74 | Confident | 69.7 | Low | 104 Ų | 104 | 99.1 Ų | 99.1 | 49% | 0.486 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.8 | -45.3 | 172.9 | 179.9 | 137.1 | -114.9 | 0 | 0 | 112.3 | T60 R61 L62 E66 R67 E68 | T60-E64 PolarHBondContact O-N 3.05Å; R61-E64 PolarHBondContact O-N 3.33Å; L62-E64 VanDerWaalsContact C-N 3.26Å; L62-E64 PolarHBondContact O-N 2.93Å; E64-E66 VanDerWaalsContact C-N 3.35Å; E64-E66 PolarHBondContact O-N 3.43Å; E64-R67 WeakPolarHBondContact O-CB 3.43Å; E64-R67 PolarHBondContact O-N 3.01Å; E64-R67 IonicContact OE1-CZ 3.15Å; E64-R67 IonicContact OE1-NH2 3.6Å; E64-R67 PolarHBondContact OE1-NH2 2.9Å; E64-E68 PolarHBondContact O-N 3.32Å |
| 65 | V | 60.6 | Low | 69.6 | Low | 88 Ų | 88 | 98.3 Ų | 98.3 | 53% | 0.533 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.8 | -37.6 | 179.2 | 172.8 | 0 | 0 | 0 | 0 | 112.2 | R61 L62 E68 R69 | R61-V65 WeakPolarHBondContact O-CG2 3.46Å; R61-V65 PolarHBondContact O-N 2.89Å; L62-V65 PolarHBondContact O-N 3.35Å; L62-V65 VanDerWaalsContact O-N 3.13Å; V65-E68 PolarHBondContact O-N 3.32Å; V65-R69 PolarHBondContact O-N 2.91Å |
| 66 | E | 72.4 | Confident | 68.8 | Low | 84 Ų | 84 | 100.6 Ų | 100.6 | 39% | 0.393 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 174.4 | -65.7 | -164.7 | 104 | 0 | 0 | 112.1 | L62 E64 E68 R69 D70 | L62-E66 HydrophobicContact CD1-CG 4.45Å; L62-E66 PolarHBondContact O-N 3.38Å; E64-E66 VanDerWaalsContact C-N 3.35Å; E64-E66 PolarHBondContact O-N 3.43Å; E66-E68 VanDerWaalsContact C-N 3.25Å; E66-E68 PolarHBondContact O-N 2.91Å; E66-R69 WeakPolarHBondContact O-CB 3.35Å; E66-R69 PolarHBondContact O-N 3.48Å; E66-R69 IonicContact OE1-NH1 2.78Å; E66-R69 PolarHBondContact OE1-NH1 3Å; E66-R69 VanDerWaalsContact OE1-NH1 3.11Å; E66-D70 PolarHBondContact O-N 2.83Å; E66-D70 VanDerWaalsContact O-N 3.16Å |
| 67 | R | 77.2 | Confident | 68.6 | Low | 131 Ų | 131 | 100.7 Ų | 100.7 | 49% | 0.494 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.5 | -28.9 | 174.5 | -174.2 | -173.4 | 69.4 | 138.1 | -1.5 | 112.6 | S63 E64 K71 | S63-R67 PolarHBondContact O-N 3.5Å; E64-R67 WeakPolarHBondContact O-CB 3.43Å; E64-R67 PolarHBondContact O-N 3.01Å; E64-R67 IonicContact OE1-CZ 3.15Å; E64-R67 IonicContact OE1-NH2 3.6Å; E64-R67 PolarHBondContact OE1-NH2 2.9Å; R67-K71 WeakPolarHBondContact O-CD 3.41Å; R67-K71 WeakPolarHBondContact O-CG 3.45Å |
| 68 | E | 65 | Low | 68.5 | Low | 104 Ų | 104 | 100.4 Ų | 100.4 | 49% | 0.486 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -78.1 | -41.6 | 172.9 | -65.7 | -154.7 | 140.5 | 0 | 0 | 113.1 | E64 V65 E66 D70 K71 L72 | E64-E68 PolarHBondContact O-N 3.32Å; V65-E68 PolarHBondContact O-N 3.32Å; E66-E68 VanDerWaalsContact C-N 3.25Å; E66-E68 PolarHBondContact O-N 2.91Å; E68-D70 PolarHBondContact O-N 3.21Å; E68-K71 PolarHBondContact O-N 3.06Å; E68-L72 WeakPolarHBondContact O-CG 3.29Å; E68-L72 PolarHBondContact O-N 2.74Å |
| 69 | R | 66.1 | Low | 68.6 | Low | 106 Ų | 106 | 104.6 Ų | 104.6 | 40% | 0.4 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -49.8 | -48.1 | 172.9 | 176.4 | -161.1 | 70.8 | -145.9 | -6.3 | 110.9 | V65 E66 L72 H73 | V65-R69 PolarHBondContact O-N 2.91Å; E66-R69 WeakPolarHBondContact O-CB 3.35Å; E66-R69 PolarHBondContact O-N 3.48Å; E66-R69 IonicContact OE1-NH1 2.78Å; E66-R69 PolarHBondContact OE1-NH1 3Å; E66-R69 VanDerWaalsContact OE1-NH1 3.11Å; R69-L72 PolarHBondContact O-N 3.3Å; R69-H73 WeakPolarHBondContact O-CB 3.37Å; R69-H73 PolarHBondContact O-N 3.05Å |
| 70 | D | 75.9 | Confident | 68.2 | Low | 82 Ų | 82 | 101.4 Ų | 101.4 | 44% | 0.439 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -74 | -34.2 | -173.1 | -64.8 | -18.5 | 0 | 0 | 0 | 112.5 | E66 E68 H73 A74 | E66-D70 PolarHBondContact O-N 2.83Å; E66-D70 VanDerWaalsContact O-N 3.16Å; E68-D70 PolarHBondContact O-N 3.21Å; D70-H73 PolarHBondContact O-N 2.98Å; D70-A74 WeakPolarHBondContact O-CB 3.34Å; D70-A74 PolarHBondContact O-N 3.49Å |
| 71 | K | 75.4 | Confident | 68 | Low | 102 Ų | 102 | 100.3 Ų | 100.3 | 44% | 0.443 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.6 | -45.5 | 168.3 | -71.6 | 167.5 | -177.1 | 172.2 | 0 | 111.6 | R67 E68 Q75 | R67-K71 WeakPolarHBondContact O-CD 3.41Å; R67-K71 WeakPolarHBondContact O-CG 3.45Å; E68-K71 PolarHBondContact O-N 3.06Å; K71-Q75 WeakPolarHBondContact O-CG 3.4Å; K71-Q75 PolarHBondContact O-N 2.98Å; K71-Q75 VanDerWaalsContact O-N 3.1Å |
| 72 | L | 56.8 | Low | 68.2 | Low | 86 Ų | 86 | 100.8 Ų | 100.8 | 45% | 0.45 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.7 | -37.9 | 178.8 | -69.8 | 172.8 | 0 | 0 | 0 | 112 | E68 R69 Q75 L76 | E68-L72 WeakPolarHBondContact O-CG 3.29Å; E68-L72 PolarHBondContact O-N 2.74Å; R69-L72 PolarHBondContact O-N 3.3Å; L72-Q75 PolarHBondContact O-N 2.98Å; L72-L76 WeakPolarHBondContact O-CB 3.47Å; L72-L76 PolarHBondContact O-N 3.47Å |
| 73 | H | 66.7 | Low | 68.4 | Low | 126 Ų | 126 | 99.9 Ų | 99.9 | 58% | 0.583 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.1 | -43.3 | 177.6 | -162.9 | 82.7 | 0 | 0 | 0 | 111.9 | R69 D70 Q75 L76 S77 | R69-H73 WeakPolarHBondContact O-CB 3.37Å; R69-H73 PolarHBondContact O-N 3.05Å; D70-H73 PolarHBondContact O-N 2.98Å; H73-Q75 PolarHBondContact O-N 3.48Å; H73-L76 PolarHBondContact O-N 2.87Å; H73-S77 PolarHBondContact O-N 2.96Å |
| 74 | A | 70.3 | Confident | 68.1 | Low | 60 Ų | 60 | 98.3 Ų | 98.3 | 50% | 0.496 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.2 | -43.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D70 L76 S77 A78 | D70-A74 WeakPolarHBondContact O-CB 3.34Å; D70-A74 PolarHBondContact O-N 3.49Å; A74-L76 VanDerWaalsContact C-N 3.33Å; A74-L76 PolarHBondContact O-N 3.03Å; A74-S77 PolarHBondContact O-N 3.47Å; A74-A78 WeakPolarHBondContact O-CB 3.5Å; A74-A78 PolarHBondContact O-N 3.31Å |
| 75 | Q | 68.9 | Low | 68 | Low | 112 Ų | 112 | 96 Ų | 96 | 52% | 0.523 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65 | -32.5 | 175.7 | -73.2 | 178.8 | 31.7 | 0 | 0 | 113.7 | K71 L72 H73 K79 | K71-Q75 WeakPolarHBondContact O-CG 3.4Å; K71-Q75 PolarHBondContact O-N 2.98Å; K71-Q75 VanDerWaalsContact O-N 3.1Å; L72-Q75 PolarHBondContact O-N 2.98Å; H73-Q75 PolarHBondContact O-N 3.48Å; Q75-K79 WeakPolarHBondContact O-CG 3.49Å |
| 76 | L | 54.3 | Low | 68.8 | Low | 101 Ų | 101 | 96.7 Ų | 96.7 | 53% | 0.529 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -72.9 | -45.6 | 176.4 | -171.7 | 71.9 | 0 | 0 | 0 | 111.1 | L72 H73 A74 A78 K79 M80 | L72-L76 WeakPolarHBondContact O-CB 3.47Å; L72-L76 PolarHBondContact O-N 3.47Å; H73-L76 PolarHBondContact O-N 2.87Å; A74-L76 VanDerWaalsContact C-N 3.33Å; A74-L76 PolarHBondContact O-N 3.03Å; L76-A78 VanDerWaalsContact C-N 3.34Å; L76-A78 PolarHBondContact O-N 3.31Å; L76-K79 PolarHBondContact O-N 2.84Å; L76-K79 VanDerWaalsContact O-N 3.12Å; L76-M80 PolarHBondContact O-N 2.6Å |
| 77 | S | 68.1 | Low | 68.5 | Low | 83 Ų | 83 | 94.7 Ų | 94.7 | 58% | 0.58 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -58 | -45.9 | 176.4 | -179.9 | 0 | 0 | 0 | 0 | 111.4 | H73 A74 K79 M80 | H73-S77 PolarHBondContact O-N 2.96Å; A74-S77 PolarHBondContact O-N 3.47Å; S77-K79 PolarHBondContact O-N 2.8Å; S77-M80 PolarHBondContact O-N 2.75Å |
| 78 | A | 71.5 | Confident | 68.4 | Low | 88 Ų | 88 | 90.1 Ų | 90.1 | 73% | 0.727 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -3.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | A74 L76 | A74-A78 WeakPolarHBondContact O-CB 3.5Å; A74-A78 PolarHBondContact O-N 3.31Å; L76-A78 VanDerWaalsContact C-N 3.34Å; L76-A78 PolarHBondContact O-N 3.31Å |
| 79 | K | 71.9 | Confident | 69.2 | Low | 170 Ų | 170 | 91.1 Ų | 91.1 | 74% | 0.739 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.6 | 3.8 | 179.1 | -71.9 | -179.4 | 178.2 | 178.9 | 0 | 113.9 | Q75 L76 S77 | Q75-K79 WeakPolarHBondContact O-CG 3.49Å; L76-K79 PolarHBondContact O-N 2.84Å; L76-K79 VanDerWaalsContact O-N 3.12Å; S77-K79 PolarHBondContact O-N 2.8Å |
| 80 | M | 61.3 | Low | 69.9 | Low | 91 Ų | 91 | 90.4 Ų | 90.4 | 45% | 0.448 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -79.1 | 130.1 | 177.5 | -82 | -77 | -68.7 | 0 | 0 | 111.7 | L76 S77 V84 V85 | L76-M80 PolarHBondContact O-N 2.6Å; S77-M80 PolarHBondContact O-N 2.75Å; M80-V84 HydrophobicContact CE-CG1 3.96Å; M80-V85 HydrophobicContact CB-CG2 4.1Å; M80-V85 HydrophobicContact CE-CG2 4.29Å |
| 81 | P | 68.6 | Low | 70 | Confident | 71 Ų | 71 | 87.5 Ų | 87.5 | 46% | 0.461 | 46% | 0.462 | S | S | . | . | trans | -62.9 | 136.5 | 171.8 | -24.6 | 35.9 | 0 | 0 | 0 | 112.9 | D83 V84 V85 | P81-D83 WeakPolarHBondContact CB-OD1 3.45Å; P81-D83 PolarHBondContact O-N 2.95Å; P81-V84 HydrophobicContact CB-CB 4.39Å; P81-V84 HydrophobicContact CB-CG2 4.09Å; P81-V84 HydrophobicContact CG-CG2 4.49Å; P81-V84 WeakPolarHBondContact O-CB 3.48Å; P81-V84 PolarHBondContact O-N 3.5Å; P81-V85 WeakPolarHBondContact O-CG2 3.35Å; P81-V85 PolarHBondContact O-N 2.96Å; P81-V85 VanDerWaalsContact O-N 3.08Å | ||
| 82 | Q | 68.2 | Low | 70.3 | Confident | 142 Ų | 142 | 86.2 Ų | 86.2 | 66% | 0.664 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -68.6 | -31.1 | -171.2 | -171.8 | 64 | 18.5 | 0 | 0 | 113.5 | V85 E86 | Q82-V85 WeakPolarHBondContact O-CB 3.48Å; Q82-V85 PolarHBondContact O-N 3.33Å; Q82-E86 PolarHBondContact O-N 2.9Å |
| 83 | D | 69.7 | Low | 71.8 | Confident | 87 Ų | 87 | 85.9 Ų | 85.9 | 47% | 0.465 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.8 | -41 | 173 | 65.6 | -51.2 | 0 | 0 | 0 | 111.4 | P81 V85 E86 M87 | P81-D83 WeakPolarHBondContact CB-OD1 3.45Å; P81-D83 PolarHBondContact O-N 2.95Å; D83-V85 VanDerWaalsContact C-N 3.29Å; D83-V85 PolarHBondContact O-N 3.45Å; D83-E86 PolarHBondContact O-N 2.9Å; D83-M87 VanDerWaalsContact O-CB 3.32Å; D83-M87 WeakPolarHBondContact O-CB 3.43Å; D83-M87 WeakPolarHBondContact O-CG 3.34Å; D83-M87 PolarHBondContact O-N 2.96Å |
| 84 | V | 68 | Low | 72.8 | Confident | 46 Ų | 46 | 80.3 Ų | 80.3 | 28% | 0.279 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -67.2 | -32.2 | 174.1 | -180 | 0 | 0 | 0 | 0 | 110.8 | M80 P81 S88 | M80-V84 HydrophobicContact CE-CG1 3.96Å; P81-V84 HydrophobicContact CB-CB 4.39Å; P81-V84 HydrophobicContact CB-CG2 4.09Å; P81-V84 HydrophobicContact CG-CG2 4.49Å; P81-V84 WeakPolarHBondContact O-CB 3.48Å; P81-V84 PolarHBondContact O-N 3.5Å; V84-S88 VanDerWaalsContact O-CB 3.24Å; V84-S88 WeakPolarHBondContact O-CB 3.25Å; V84-S88 PolarHBondContact O-N 3.3Å; V84-S88 PolarHBondContact O-OG 2.96Å |
| 85 | V | 72.2 | Confident | 73.6 | Confident | 57 Ų | 57 | 80.3 Ų | 80.3 | 35% | 0.345 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68 | -49.2 | 172.4 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | M80 P81 Q82 D83 S88 K89 | M80-V85 HydrophobicContact CB-CG2 4.1Å; M80-V85 HydrophobicContact CE-CG2 4.29Å; P81-V85 WeakPolarHBondContact O-CG2 3.35Å; P81-V85 PolarHBondContact O-N 2.96Å; P81-V85 VanDerWaalsContact O-N 3.08Å; Q82-V85 WeakPolarHBondContact O-CB 3.48Å; Q82-V85 PolarHBondContact O-N 3.33Å; D83-V85 VanDerWaalsContact C-N 3.29Å; D83-V85 PolarHBondContact O-N 3.45Å; V85-S88 CarbonylContact O-C 3.5Å; V85-S88 WeakPolarHBondContact O-CA 3.44Å; V85-S88 WeakPolarHBondContact O-CB 3.34Å; V85-S88 PolarHBondContact O-N 3.33Å; V85-S88 VanDerWaalsContact O-N 3.09Å; V85-K89 PolarHBondContact O-N 3.45Å |
| 86 | E | 75.6 | Confident | 74.6 | Confident | 102 Ų | 102 | 81.1 Ų | 81.1 | 48% | 0.477 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.7 | -44.9 | 179.6 | -167.8 | -174.1 | 146.2 | 0 | 0 | 112.2 | Q82 D83 S88 K89 K90 | Q82-E86 PolarHBondContact O-N 2.9Å; D83-E86 PolarHBondContact O-N 2.9Å; E86-S88 PolarHBondContact O-N 3.36Å; E86-K89 PolarHBondContact O-N 2.98Å; E86-K89 VanDerWaalsContact O-N 3.08Å; E86-K90 PolarHBondContact O-N 3.1Å; E86-K90 WeakPolarHBondContact OE1-CE 3.47Å; E86-K90 IonicContact OE1-NZ 2.79Å; E86-K90 PolarHBondContact OE1-NZ 3.41Å |
| 87 | M | 67 | Low | 76.3 | Confident | 41 Ų | 41 | 79.8 Ų | 79.8 | 20% | 0.202 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -64.4 | -23.4 | 173 | -74.3 | -61.2 | -61.7 | 0 | 0 | 112.7 | D83 L91 L239 S242 K243 | D83-M87 VanDerWaalsContact O-CB 3.32Å; D83-M87 WeakPolarHBondContact O-CB 3.43Å; D83-M87 WeakPolarHBondContact O-CG 3.34Å; D83-M87 PolarHBondContact O-N 2.96Å; M87-L91 VanDerWaalsContact O-CB 3.26Å; M87-L91 WeakPolarHBondContact O-CB 3.41Å; M87-L91 PolarHBondContact O-N 3.4Å; M87-L239 HydrophobicContact CE-CD2 4.02Å; M87-S242 VanDerWaalsContact CE-OG 3.31Å; M87-S242 WeakPolarHBondContact CE-OG 3.45Å; M87-K243 HydrophobicContact CE-CB 4.42Å |
| 88 | S | 74.9 | Confident | 77.3 | Confident | 36 Ų | 36 | 77.1 Ų | 77.1 | 25% | 0.252 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -77.5 | -37.6 | 170 | -60.5 | 0 | 0 | 0 | 0 | 112 | V84 V85 E86 L91 T92 K243 | V84-S88 VanDerWaalsContact O-CB 3.24Å; V84-S88 WeakPolarHBondContact O-CB 3.25Å; V84-S88 PolarHBondContact O-N 3.3Å; V84-S88 PolarHBondContact O-OG 2.96Å; V85-S88 CarbonylContact O-C 3.5Å; V85-S88 WeakPolarHBondContact O-CA 3.44Å; V85-S88 WeakPolarHBondContact O-CB 3.34Å; V85-S88 PolarHBondContact O-N 3.33Å; V85-S88 VanDerWaalsContact O-N 3.09Å; E86-S88 PolarHBondContact O-N 3.36Å; S88-L91 WeakPolarHBondContact O-CB 3.3Å; S88-L91 PolarHBondContact O-N 3.06Å; S88-T92 PolarHBondContact O-N 2.88Å; S88-T92 PolarHBondContact O-OG1 2.94Å; S88-K243 PolarHBondContact OG-NZ 2.89Å |
| 89 | K | 82.4 | Confident | 78 | Confident | 125 Ų | 125 | 77.8 Ų | 77.8 | 54% | 0.543 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.2 | -48.4 | 176.7 | -165.2 | -151.8 | 171.7 | -120.2 | 0 | 111.9 | V85 E86 L91 T92 E93 | V85-K89 PolarHBondContact O-N 3.45Å; E86-K89 PolarHBondContact O-N 2.98Å; E86-K89 VanDerWaalsContact O-N 3.08Å; K89-L91 PolarHBondContact O-N 3Å; K89-T92 WeakPolarHBondContact CA-OG1 3.33Å; K89-T92 PolarHBondContact O-N 3.35Å; K89-T92 PolarHBondContact O-OG1 3.05Å; K89-E93 IonicContact NZ-OE2 3.27Å; K89-E93 PolarHBondContact NZ-OE2 3.42Å; K89-E93 WeakPolarHBondContact O-CB 3.46Å; K89-E93 PolarHBondContact O-N 3.45Å |
| 90 | K | 80.8 | Confident | 78.9 | Confident | 91 Ų | 91 | 74.3 Ų | 74.3 | 40% | 0.396 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.6 | -35.8 | 177.1 | -68.5 | 179 | -173.3 | 167.8 | 0 | 111.8 | E86 E93 V94 | E86-K90 PolarHBondContact O-N 3.1Å; E86-K90 WeakPolarHBondContact OE1-CE 3.47Å; E86-K90 IonicContact OE1-NZ 2.79Å; E86-K90 PolarHBondContact OE1-NZ 3.41Å; K90-E93 PolarHBondContact O-N 3.35Å; K90-V94 PolarHBondContact O-N 3.13Å; K90-V94 VanDerWaalsContact O-N 3.12Å |
| 91 | L | 76.8 | Confident | 80.1 | Confident | 20 Ų | 20 | 72.6 Ų | 72.6 | 11% | 0.105 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.7 | -49.9 | 173.7 | -170.5 | 73.9 | 0 | 0 | 0 | 111.6 | M87 S88 K89 E93 V94 E95 L236 L239 K240 K243 | M87-L91 VanDerWaalsContact O-CB 3.26Å; M87-L91 WeakPolarHBondContact O-CB 3.41Å; M87-L91 PolarHBondContact O-N 3.4Å; S88-L91 WeakPolarHBondContact O-CB 3.3Å; S88-L91 PolarHBondContact O-N 3.06Å; K89-L91 PolarHBondContact O-N 3Å; L91-E93 VanDerWaalsContact C-N 3.29Å; L91-E93 PolarHBondContact O-N 2.94Å; L91-V94 PolarHBondContact O-N 2.99Å; L91-E95 VanDerWaalsContact O-CG 3.31Å; L91-E95 WeakPolarHBondContact O-CG 3.34Å; L91-E95 PolarHBondContact O-N 3.21Å; L91-L236 HydrophobicContact CD1-CD1 3.61Å; L91-L236 HydrophobicContact CG-CD1 4.43Å; L91-L239 HydrophobicContact CD1-CB 4.06Å; L91-K240 HydrophobicContact CD1-CD 4.36Å; L91-K240 HydrophobicContact CD1-CG 3.56Å; L91-K243 HydrophobicContact CD2-CD 4.25Å |
| 92 | T | 81.9 | Confident | 81 | Confident | 76 Ų | 76 | 71.7 Ų | 71.7 | 47% | 0.466 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.3 | -33.8 | 177.4 | 47.4 | 0 | 0 | 0 | 0 | 112.7 | S88 K89 E95 E96 | S88-T92 PolarHBondContact O-N 2.88Å; S88-T92 PolarHBondContact O-OG1 2.94Å; K89-T92 WeakPolarHBondContact CA-OG1 3.33Å; K89-T92 PolarHBondContact O-N 3.35Å; K89-T92 PolarHBondContact O-OG1 3.05Å; T92-E95 PolarHBondContact O-N 3.2Å; T92-E96 VanDerWaalsContact O-CB 3.25Å; T92-E96 WeakPolarHBondContact O-CB 3.5Å; T92-E96 PolarHBondContact O-N 3.11Å |
| 93 | E | 89.5 | Confident | 81.9 | Confident | 79 Ų | 79 | 69.8 Ų | 69.8 | 37% | 0.369 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -68 | -36.5 | 179.5 | -166.7 | 168.4 | 155 | 0 | 0 | 112.2 | K89 K90 L91 Q97 | K89-E93 IonicContact NZ-OE2 3.27Å; K89-E93 PolarHBondContact NZ-OE2 3.42Å; K89-E93 WeakPolarHBondContact O-CB 3.46Å; K89-E93 PolarHBondContact O-N 3.45Å; K90-E93 PolarHBondContact O-N 3.35Å; L91-E93 VanDerWaalsContact C-N 3.29Å; L91-E93 PolarHBondContact O-N 2.94Å; E93-Q97 WeakPolarHBondContact O-CG 3.47Å; E93-Q97 PolarHBondContact O-N 2.98Å; E93-Q97 VanDerWaalsContact O-N 3.14Å |
| 94 | V | 87.2 | Confident | 82.9 | Confident | 8 Ų | 8 | 68.8 Ų | 68.8 | 5% | 0.048 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -77.3 | -34.2 | 172.1 | 176.4 | 0 | 0 | 0 | 0 | 111.9 | K90 L91 L98 L232 E235 L236 L239 | K90-V94 PolarHBondContact O-N 3.13Å; K90-V94 VanDerWaalsContact O-N 3.12Å; L91-V94 PolarHBondContact O-N 2.99Å; V94-L98 VanDerWaalsContact O-CB 3.26Å; V94-L98 WeakPolarHBondContact O-CB 3.42Å; V94-L98 PolarHBondContact O-N 3.46Å; V94-L232 HydrophobicContact CG1-CD2 4.29Å; V94-E235 HydrophobicContact CG2-CG 4.38Å; V94-L236 HydrophobicContact CB-CD1 4.38Å; V94-L236 HydrophobicContact CG1-CB 3.93Å; V94-L236 HydrophobicContact CG1-CD1 4.09Å; V94-L239 HydrophobicContact CB-CD1 4.17Å; V94-L239 HydrophobicContact CG2-CD1 3.68Å |
| 95 | E | 86.8 | Confident | 84 | Confident | 61 Ų | 61 | 67.1 Ų | 67.1 | 29% | 0.285 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.8 | -37.7 | 173.3 | -70.5 | 179.6 | 147.4 | 0 | 0 | 111.9 | L91 T92 L98 I99 L236 K240 | L91-E95 VanDerWaalsContact O-CG 3.31Å; L91-E95 WeakPolarHBondContact O-CG 3.34Å; L91-E95 PolarHBondContact O-N 3.21Å; T92-E95 PolarHBondContact O-N 3.2Å; E95-L98 PolarHBondContact O-N 3.5Å; E95-I99 WeakPolarHBondContact O-CD1 3.35Å; E95-I99 VanDerWaalsContact O-CG1 3.27Å; E95-I99 WeakPolarHBondContact O-CG1 3.41Å; E95-I99 PolarHBondContact O-N 3.12Å; E95-I99 VanDerWaalsContact O-N 3.11Å; E95-L236 HydrophobicContact CG-CD1 3.46Å; E95-L236 VanDerWaalsContact CG-CD1 3.46Å; E95-L236 HydrophobicContact CG-CD2 4.05Å; E95-L236 HydrophobicContact CG-CG 4.41Å; E95-K240 WeakPolarHBondContact OE1-CE 3.48Å; E95-K240 IonicContact OE1-NZ 2.93Å; E95-K240 PolarHBondContact OE1-NZ 3.12Å |
| 96 | E | 89.7 | Confident | 84.8 | Confident | 129 Ų | 129 | 68.8 Ų | 68.8 | 60% | 0.603 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -67 | -49.1 | 174.8 | -172.5 | 164.6 | -141.8 | 0 | 0 | 111.4 | T92 L98 I99 E100 | T92-E96 VanDerWaalsContact O-CB 3.25Å; T92-E96 WeakPolarHBondContact O-CB 3.5Å; T92-E96 PolarHBondContact O-N 3.11Å; E96-L98 VanDerWaalsContact C-N 3.28Å; E96-L98 PolarHBondContact O-N 3.46Å; E96-I99 PolarHBondContact O-N 3.5Å; E96-E100 PolarHBondContact O-N 3.23Å |
| 97 | Q | 89.9 | Confident | 85.5 | Confident | 73 Ų | 73 | 69.7 Ų | 69.7 | 34% | 0.341 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.5 | -36.2 | 174.3 | -76.3 | 177.8 | 49.3 | 0 | 0 | 113.2 | E93 R101 L232 | E93-Q97 WeakPolarHBondContact O-CG 3.47Å; E93-Q97 PolarHBondContact O-N 2.98Å; E93-Q97 VanDerWaalsContact O-N 3.14Å; Q97-R101 WeakPolarHBondContact O-CG 3.33Å; Q97-R101 PolarHBondContact O-N 2.94Å; Q97-R101 PolarHBondContact O-NH1 3.3Å; Q97-L232 HydrophobicContact CB-CD1 4.17Å; Q97-L232 HydrophobicContact CB-CD2 4.37Å |
| 98 | L | 88.9 | Confident | 86.7 | Confident | 26 Ų | 26 | 68.4 Ų | 68.4 | 14% | 0.136 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.5 | -43.2 | 177.3 | -179.1 | 64 | 0 | 0 | 0 | 111.3 | V94 E95 E96 R101 C102 V229 L232 E233 L236 | V94-L98 VanDerWaalsContact O-CB 3.26Å; V94-L98 WeakPolarHBondContact O-CB 3.42Å; V94-L98 PolarHBondContact O-N 3.46Å; E95-L98 PolarHBondContact O-N 3.5Å; E96-L98 VanDerWaalsContact C-N 3.28Å; E96-L98 PolarHBondContact O-N 3.46Å; L98-R101 PolarHBondContact O-N 2.94Å; L98-C102 PolarHBondContact O-N 3.29Å; L98-C102 PolarHBondContact O-SG 2.92Å; L98-C102 VanDerWaalsContact O-SG 3.33Å; L98-V229 HydrophobicContact CD1-CB 4.38Å; L98-V229 HydrophobicContact CD1-CG1 3.92Å; L98-V229 HydrophobicContact CD1-CG2 4.27Å; L98-L232 HydrophobicContact CD1-CB 4.05Å; L98-E233 HydrophobicContact CD1-CG 3.86Å; L98-E233 HydrophobicContact CD2-CG 4.22Å; L98-L236 HydrophobicContact CD2-CD2 3.81Å |
| 99 | I | 87.1 | Confident | 87.5 | Confident | 103 Ų | 103 | 71.3 Ų | 71.3 | 53% | 0.528 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.9 | -49.5 | 175.9 | -68.7 | 162.2 | 0 | 0 | 0 | 110.3 | E95 E96 R101 C102 D103 | E95-I99 WeakPolarHBondContact O-CD1 3.35Å; E95-I99 VanDerWaalsContact O-CG1 3.27Å; E95-I99 WeakPolarHBondContact O-CG1 3.41Å; E95-I99 PolarHBondContact O-N 3.12Å; E95-I99 VanDerWaalsContact O-N 3.11Å; E96-I99 PolarHBondContact O-N 3.5Å; I99-R101 VanDerWaalsContact C-N 3.3Å; I99-R101 PolarHBondContact O-N 3.03Å; I99-C102 WeakPolarHBondContact O-CB 3.22Å; I99-C102 PolarHBondContact O-N 3.45Å; I99-C102 VanDerWaalsContact O-N 3.07Å; I99-D103 PolarHBondContact O-N 3.29Å |
| 100 | E | 90.1 | Very high | 87.6 | Confident | 96 Ų | 96 | 67.5 Ų | 67.5 | 45% | 0.449 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -55 | -42.2 | 177.7 | -70.7 | -175.8 | 178.4 | 0 | 0 | 113.1 | E96 E104 | E96-E100 PolarHBondContact O-N 3.23Å; E100-E104 WeakPolarHBondContact O-CB 3.46Å; E100-E104 PolarHBondContact O-N 3.35Å |
| 101 | R | 87.6 | Confident | 88.1 | Confident | 55 Ų | 55 | 67.2 Ų | 67.2 | 21% | 0.208 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -72.7 | -30.2 | 179.5 | -62.3 | -59.2 | 78.1 | 64.7 | -10.9 | 112.2 | Q97 L98 I99 E104 I105 K228 V229 L232 | Q97-R101 WeakPolarHBondContact O-CG 3.33Å; Q97-R101 PolarHBondContact O-N 2.94Å; Q97-R101 PolarHBondContact O-NH1 3.3Å; L98-R101 PolarHBondContact O-N 2.94Å; I99-R101 VanDerWaalsContact C-N 3.3Å; I99-R101 PolarHBondContact O-N 3.03Å; R101-E104 IonicContact CZ-OE2 3.11Å; R101-E104 IonicContact NE-OE2 3.71Å; R101-E104 PolarHBondContact NE-OE2 2.95Å; R101-E104 IonicContact NH2-OE2 2.65Å; R101-E104 PolarHBondContact NH2-OE2 3.22Å; R101-I105 WeakPolarHBondContact O-CB 3.44Å; R101-I105 WeakPolarHBondContact O-CD1 3.46Å; R101-I105 WeakPolarHBondContact O-CG1 3.37Å; R101-I105 PolarHBondContact O-N 3.38Å; R101-K228 HydrophobicContact CG-CG 4.41Å; R101-V229 HydrophobicContact CB-CG2 3.55Å; R101-L232 HydrophobicContact CG-CD1 3.87Å |
| 102 | C | 87.2 | Confident | 88.8 | Confident | 53 Ų | 53 | 69.9 Ų | 69.9 | 36% | 0.358 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -68.5 | -43.5 | 173.3 | -73.7 | 0 | 0 | 0 | 0 | 111.8 | L98 I99 I105 D106 | L98-C102 PolarHBondContact O-N 3.29Å; L98-C102 PolarHBondContact O-SG 2.92Å; L98-C102 VanDerWaalsContact O-SG 3.33Å; I99-C102 WeakPolarHBondContact O-CB 3.22Å; I99-C102 PolarHBondContact O-N 3.45Å; I99-C102 VanDerWaalsContact O-N 3.07Å; C102-I105 WeakPolarHBondContact O-CB 3.44Å; C102-I105 PolarHBondContact O-N 3.06Å; C102-D106 PolarHBondContact O-N 3.49Å; C102-D106 VanDerWaalsContact O-N 3.09Å |
| 103 | D | 87.2 | Confident | 89.2 | Confident | 102 Ų | 102 | 70.5 Ų | 70.5 | 55% | 0.545 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.7 | -44.9 | 175.1 | -67.5 | -18.4 | 0 | 0 | 0 | 110.6 | I99 I105 D106 D107 | I99-D103 PolarHBondContact O-N 3.29Å; D103-I105 VanDerWaalsContact C-N 3.3Å; D103-I105 PolarHBondContact O-N 3.2Å; D103-D106 PolarHBondContact O-N 3.29Å; D103-D106 VanDerWaalsContact O-N 3.15Å; D103-D107 PolarHBondContact O-N 3.39Å |
| 104 | E | 90.6 | Very high | 89.2 | Confident | 66 Ų | 66 | 71.6 Ų | 71.6 | 31% | 0.308 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -57.5 | -38.9 | 173.9 | -173.2 | -166.7 | 132 | 0 | 0 | 112.7 | E100 R101 L108 S225 | E100-E104 WeakPolarHBondContact O-CB 3.46Å; E100-E104 PolarHBondContact O-N 3.35Å; R101-E104 IonicContact CZ-OE2 3.11Å; R101-E104 IonicContact NE-OE2 3.71Å; R101-E104 PolarHBondContact NE-OE2 2.95Å; R101-E104 IonicContact NH2-OE2 2.65Å; R101-E104 PolarHBondContact NH2-OE2 3.22Å; E104-L108 HydrophobicContact CG-CD1 4.09Å; E104-L108 WeakPolarHBondContact O-CB 3.36Å; E104-L108 WeakPolarHBondContact O-CD1 3.35Å; E104-L108 VanDerWaalsContact O-CG 3.23Å; E104-L108 WeakPolarHBondContact O-CG 3.31Å; E104-L108 PolarHBondContact O-N 3.46Å; E104-S225 WeakPolarHBondContact OE1-CB 3.34Å; E104-S225 PolarHBondContact OE1-OG 3.4Å |
| 105 | I | 91.2 | Very high | 89.2 | Confident | 10 Ų | 10 | 72.2 Ų | 72.2 | 5% | 0.051 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66 | -41.1 | 176.3 | -80.6 | 166 | 0 | 0 | 0 | 111.6 | R101 C102 D103 L108 K109 L222 Q226 V229 | R101-I105 WeakPolarHBondContact O-CB 3.44Å; R101-I105 WeakPolarHBondContact O-CD1 3.46Å; R101-I105 WeakPolarHBondContact O-CG1 3.37Å; R101-I105 PolarHBondContact O-N 3.38Å; C102-I105 WeakPolarHBondContact O-CB 3.44Å; C102-I105 PolarHBondContact O-N 3.06Å; D103-I105 VanDerWaalsContact C-N 3.3Å; D103-I105 PolarHBondContact O-N 3.2Å; I105-L108 PolarHBondContact O-N 2.83Å; I105-K109 HydrophobicContact CG2-CD 4.24Å; I105-K109 VanDerWaalsContact O-CG 3.27Å; I105-K109 WeakPolarHBondContact O-CG 3.31Å; I105-K109 PolarHBondContact O-N 2.77Å; I105-L222 HydrophobicContact CB-CD1 4.34Å; I105-L222 HydrophobicContact CG1-CD1 4.33Å; I105-L222 HydrophobicContact CG2-CD1 3.95Å; I105-Q226 HydrophobicContact CD1-CB 4.4Å; I105-Q226 HydrophobicContact CD1-CG 3.94Å; I105-Q226 HydrophobicContact CG1-CG 4.18Å; I105-Q226 HydrophobicContact CG2-CG 4.45Å; I105-V229 HydrophobicContact CD1-CB 4.12Å; I105-V229 HydrophobicContact CD1-CG2 3.45Å; I105-V229 VanDerWaalsContact CD1-CG2 3.45Å |
| 106 | D | 88.6 | Confident | 89.4 | Confident | 93 Ų | 93 | 76 Ų | 76 | 50% | 0.497 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -73.4 | -35.4 | -179.6 | -82.6 | 2 | 0 | 0 | 0 | 112 | C102 D103 K109 A110 | C102-D106 PolarHBondContact O-N 3.49Å; C102-D106 VanDerWaalsContact O-N 3.09Å; D103-D106 PolarHBondContact O-N 3.29Å; D103-D106 VanDerWaalsContact O-N 3.15Å; D106-K109 PolarHBondContact O-N 3.03Å; D106-K109 WeakPolarHBondContact OD1-CD 3.37Å; D106-K109 WeakPolarHBondContact OD1-CE 3.42Å; D106-K109 IonicContact OD1-NZ 2.63Å; D106-K109 PolarHBondContact OD1-NZ 2.68Å; D106-A110 WeakPolarHBondContact O-CB 3.35Å; D106-A110 PolarHBondContact O-N 3.21Å |
| 107 | D | 89.4 | Confident | 89.4 | Confident | 121 Ų | 121 | 73.2 Ų | 73.2 | 65% | 0.647 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -61.4 | -45.2 | 167.5 | -88.4 | -16 | 0 | 0 | 0 | 111.8 | D103 K109 A110 E111 | D103-D107 PolarHBondContact O-N 3.39Å; D107-K109 PolarHBondContact O-N 2.96Å; D107-A110 WeakPolarHBondContact O-CB 3.42Å; D107-A110 PolarHBondContact O-N 3.08Å; D107-A110 VanDerWaalsContact O-N 3.15Å; D107-E111 PolarHBondContact O-N 3.26Å |
| 108 | L | 92.8 | Very high | 89.4 | Confident | 14 Ų | 14 | 73.2 Ų | 73.2 | 7% | 0.073 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.7 | -33.5 | 177 | -74.8 | 167.5 | 0 | 0 | 0 | 112.8 | E104 I105 R112 V218 R221 L222 | E104-L108 HydrophobicContact CG-CD1 4.09Å; E104-L108 WeakPolarHBondContact O-CB 3.36Å; E104-L108 WeakPolarHBondContact O-CD1 3.35Å; E104-L108 VanDerWaalsContact O-CG 3.23Å; E104-L108 WeakPolarHBondContact O-CG 3.31Å; E104-L108 PolarHBondContact O-N 3.46Å; I105-L108 PolarHBondContact O-N 2.83Å; L108-R112 WeakPolarHBondContact O-CB 3.42Å; L108-R112 PolarHBondContact O-N 3.21Å; L108-V218 HydrophobicContact CD2-CG1 4.2Å; L108-R221 HydrophobicContact CD1-CB 4.16Å; L108-R221 HydrophobicContact CD2-CB 4.02Å; L108-L222 HydrophobicContact CB-CB 4.17Å; L108-L222 HydrophobicContact CB-CD1 4.02Å |
| 109 | K | 91.5 | Very high | 89.7 | Confident | 97 Ų | 97 | 73.1 Ų | 73.1 | 42% | 0.422 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 169.6 | -73.9 | 168.6 | -165.9 | 157 | 0 | 110.9 | I105 D106 D107 R112 N113 L222 | I105-K109 HydrophobicContact CG2-CD 4.24Å; I105-K109 VanDerWaalsContact O-CG 3.27Å; I105-K109 WeakPolarHBondContact O-CG 3.31Å; I105-K109 PolarHBondContact O-N 2.77Å; D106-K109 PolarHBondContact O-N 3.03Å; D106-K109 WeakPolarHBondContact OD1-CD 3.37Å; D106-K109 WeakPolarHBondContact OD1-CE 3.42Å; D106-K109 IonicContact OD1-NZ 2.63Å; D106-K109 PolarHBondContact OD1-NZ 2.68Å; D107-K109 PolarHBondContact O-N 2.96Å; K109-R112 PolarHBondContact O-N 3.41Å; K109-N113 WeakPolarHBondContact O-CB 3.43Å; K109-N113 PolarHBondContact O-N 2.87Å; K109-L222 HydrophobicContact CG-CD1 4.07Å; K109-L222 HydrophobicContact CG-CD2 4.18Å |
| 110 | A | 85.1 | Confident | 89.8 | Confident | 44 Ų | 44 | 73.7 Ų | 73.7 | 36% | 0.364 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67.3 | -44.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | D106 D107 R112 N113 N114 | D106-A110 WeakPolarHBondContact O-CB 3.35Å; D106-A110 PolarHBondContact O-N 3.21Å; D107-A110 WeakPolarHBondContact O-CB 3.42Å; D107-A110 PolarHBondContact O-N 3.08Å; D107-A110 VanDerWaalsContact O-N 3.15Å; A110-R112 VanDerWaalsContact C-N 3.34Å; A110-R112 PolarHBondContact O-N 3.48Å; A110-N113 PolarHBondContact O-N 3.46Å; A110-N114 WeakPolarHBondContact O-CB 3.19Å; A110-N114 PolarHBondContact O-N 2.9Å; A110-N114 PolarHBondContact O-ND2 2.99Å |
| 111 | E | 90.8 | Very high | 89.8 | Confident | 85 Ų | 85 | 74.7 Ų | 74.7 | 40% | 0.397 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -56.4 | -48.2 | 173.4 | -173.4 | -179.3 | -161.2 | 0 | 0 | 110.6 | D107 N113 N114 M115 V218 | D107-E111 PolarHBondContact O-N 3.26Å; E111-N113 PolarHBondContact O-N 2.89Å; E111-N114 PolarHBondContact O-N 3.48Å; E111-M115 WeakPolarHBondContact O-CB 3.49Å; E111-M115 PolarHBondContact O-N 2.93Å; E111-V218 HydrophobicContact CB-CG1 4.16Å; E111-V218 HydrophobicContact CG-CG1 4.13Å; E111-V218 HydrophobicContact CG-CG2 4.06Å |
| 112 | R | 91.3 | Very high | 90.1 | Very high | 77 Ų | 77 | 72.7 Ų | 72.7 | 29% | 0.291 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 177.6 | -162.3 | -172 | -177.3 | -178.9 | 5.9 | 112.7 | L108 K109 A110 N114 M115 K116 D215 V218 H219 | L108-R112 WeakPolarHBondContact O-CB 3.42Å; L108-R112 PolarHBondContact O-N 3.21Å; K109-R112 PolarHBondContact O-N 3.41Å; A110-R112 VanDerWaalsContact C-N 3.34Å; A110-R112 PolarHBondContact O-N 3.48Å; R112-N114 VanDerWaalsContact C-N 3.34Å; R112-N114 PolarHBondContact O-N 2.85Å; R112-M115 PolarHBondContact O-N 3.36Å; R112-K116 WeakPolarHBondContact O-CB 3.43Å; R112-K116 PolarHBondContact O-N 3.16Å; R112-D215 WeakPolarHBondContact CG-OD1 3.22Å; R112-D215 IonicContact CZ-OD2 2.69Å; R112-D215 IonicContact NE-OD1 2.85Å; R112-D215 IonicContact NE-OD2 3.17Å; R112-D215 PolarHBondContact NE-OD2 2.79Å; R112-D215 IonicContact NH2-OD2 2.71Å; R112-D215 PolarHBondContact NH2-OD2 2.87Å; R112-V218 HydrophobicContact CB-CG1 3.95Å; R112-H219 VanDerWaalsContact CZ-CG 3.44Å; R112-H219 PolarHBondContact NH1-CE1 3.37Å; R112-H219 PolarHBondContact NH1-ND1 3.32Å; R112-H219 PolarHBondContact NH2-CD2 2.96Å |
| 113 | N | 89.8 | Confident | 90.3 | Very high | 88 Ų | 88 | 75.7 Ų | 75.7 | 47% | 0.471 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.5 | -42.3 | 176.9 | -177.6 | 66.6 | 0 | 0 | 0 | 111.6 | K109 A110 E111 K116 I117 | K109-N113 WeakPolarHBondContact O-CB 3.43Å; K109-N113 PolarHBondContact O-N 2.87Å; A110-N113 PolarHBondContact O-N 3.46Å; E111-N113 PolarHBondContact O-N 2.89Å; N113-K116 PolarHBondContact O-N 3.47Å; N113-I117 VanDerWaalsContact O-CG1 3.32Å; N113-I117 WeakPolarHBondContact O-CG1 3.25Å; N113-I117 PolarHBondContact O-N 3.19Å |
| 114 | N | 89.5 | Confident | 90.4 | Very high | 103 Ų | 103 | 73.4 Ų | 73.4 | 55% | 0.551 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -64.3 | -41.9 | 175.4 | -67 | -26.4 | 0 | 0 | 0 | 111.7 | A110 E111 R112 I117 L118 | A110-N114 WeakPolarHBondContact O-CB 3.19Å; A110-N114 PolarHBondContact O-N 2.9Å; A110-N114 PolarHBondContact O-ND2 2.99Å; E111-N114 PolarHBondContact O-N 3.48Å; R112-N114 VanDerWaalsContact C-N 3.34Å; R112-N114 PolarHBondContact O-N 2.85Å; N114-I117 PolarHBondContact O-N 3.34Å; N114-L118 WeakPolarHBondContact O-CB 3.5Å; N114-L118 PolarHBondContact O-N 2.66Å |
| 115 | M | 88.9 | Confident | 90.4 | Very high | 21 Ų | 21 | 73 Ų | 73 | 10% | 0.103 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.7 | -44 | 175.3 | -170 | 61.5 | 63.5 | 0 | 0 | 111.8 | E111 R112 L118 L119 H211 L214 D215 | E111-M115 WeakPolarHBondContact O-CB 3.49Å; E111-M115 PolarHBondContact O-N 2.93Å; R112-M115 PolarHBondContact O-N 3.36Å; M115-L118 PolarHBondContact O-N 3.22Å; M115-L119 HydrophobicContact CG-CD1 4.3Å; M115-L119 WeakPolarHBondContact O-CB 3.4Å; M115-L119 WeakPolarHBondContact O-CG 3.49Å; M115-L119 PolarHBondContact O-N 3.25Å; M115-H211 HydrophobicContact SD-CB 3.86Å; M115-L214 HydrophobicContact CE-CB 3.78Å; M115-L214 HydrophobicContact CE-CD1 4.14Å; M115-L214 HydrophobicContact SD-CB 4.14Å; M115-D215 HydrophobicContact CG-CB 3.77Å |
| 116 | K | 90.1 | Very high | 90.4 | Very high | 140 Ų | 140 | 73.4 Ų | 73.4 | 61% | 0.609 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -61.7 | -44.5 | 176.1 | -173.1 | -176.6 | 178 | -172.4 | 0 | 112.4 | R112 N113 L118 L119 E120 | R112-K116 WeakPolarHBondContact O-CB 3.43Å; R112-K116 PolarHBondContact O-N 3.16Å; N113-K116 PolarHBondContact O-N 3.47Å; K116-L118 VanDerWaalsContact C-N 3.32Å; K116-L118 PolarHBondContact O-N 3.33Å; K116-L119 PolarHBondContact O-N 3.02Å; K116-E120 PolarHBondContact O-N 3.15Å |
| 117 | I | 89 | Confident | 90.4 | Very high | 71 Ų | 71 | 71.7 Ų | 71.7 | 36% | 0.364 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.2 | -38.4 | 175.8 | -69.2 | 165.2 | 0 | 0 | 0 | 110.9 | N113 N114 H121 | N113-I117 VanDerWaalsContact O-CG1 3.32Å; N113-I117 WeakPolarHBondContact O-CG1 3.25Å; N113-I117 PolarHBondContact O-N 3.19Å; N114-I117 PolarHBondContact O-N 3.34Å; I117-H121 PolarHBondContact O-N 3.48Å; I117-H121 PolarHBondContact O-ND1 3.01Å |
| 118 | L | 91.8 | Very high | 90.1 | Very high | 72 Ų | 72 | 71.6 Ų | 71.6 | 38% | 0.377 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.3 | -39.4 | 175.8 | -179.1 | 53.3 | 0 | 0 | 0 | 111.8 | N114 M115 K116 H121 L122 H211 | N114-L118 WeakPolarHBondContact O-CB 3.5Å; N114-L118 PolarHBondContact O-N 2.66Å; M115-L118 PolarHBondContact O-N 3.22Å; K116-L118 VanDerWaalsContact C-N 3.32Å; K116-L118 PolarHBondContact O-N 3.33Å; L118-H121 PolarHBondContact O-N 3.33Å; L118-L122 HydrophobicContact CD1-CD1 4.25Å; L118-L122 HydrophobicContact CD1-CG 4.24Å; L118-L122 HydrophobicContact CG-CD1 4.17Å; L118-L122 WeakPolarHBondContact O-CB 3.45Å; L118-L122 VanDerWaalsContact O-CG 3.3Å; L118-L122 WeakPolarHBondContact O-CG 3.48Å; L118-L122 PolarHBondContact O-N 3.43Å; L118-H211 VanDerWaalsContact CD2-CD2 3.46Å; L118-H211 WeakPolarHBondContact CD2-CD2 3.47Å |
| 119 | L | 94 | Very high | 89.7 | Confident | 24 Ų | 24 | 73.6 Ų | 73.6 | 13% | 0.126 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 173.4 | -77.6 | 167.2 | 0 | 0 | 0 | 112.3 | M115 K116 H121 L122 E123 F208 H211 K212 D215 | M115-L119 HydrophobicContact CG-CD1 4.3Å; M115-L119 WeakPolarHBondContact O-CB 3.4Å; M115-L119 WeakPolarHBondContact O-CG 3.49Å; M115-L119 PolarHBondContact O-N 3.25Å; K116-L119 PolarHBondContact O-N 3.02Å; L119-H121 VanDerWaalsContact C-N 3.32Å; L119-H121 PolarHBondContact O-N 2.95Å; L119-L122 PolarHBondContact O-N 2.95Å; L119-E123 WeakPolarHBondContact O-CB 3.26Å; L119-E123 PolarHBondContact O-N 2.86Å; L119-F208 HydrophobicContact CB-CE2 4.27Å; L119-F208 HydrophobicContact CD2-CD2 3.65Å; L119-F208 HydrophobicContact CD2-CE2 3.65Å; L119-F208 HydrophobicContact CD2-CG 4.34Å; L119-F208 HydrophobicContact CD2-CZ 4.34Å; L119-F208 WeakPolarHBondContact CD2-O 3.38Å; L119-H211 HydrophobicContact CD2-CB 3.73Å; L119-H211 HydrophobicContact CG-CB 4.22Å; L119-K212 HydrophobicContact CD2-CB 4.09Å; L119-D215 HydrophobicContact CD1-CB 4.05Å |
| 120 | E | 89.8 | Confident | 89.7 | Confident | 116 Ų | 116 | 71.3 Ų | 71.3 | 54% | 0.542 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.8 | -40.8 | 175.5 | -176.1 | 179.7 | 169.5 | 0 | 0 | 111.9 | K116 N124 | K116-E120 PolarHBondContact O-N 3.15Å; E120-N124 WeakPolarHBondContact O-CB 3.34Å; E120-N124 PolarHBondContact O-N 3.01Å; E120-N124 PolarHBondContact O-ND2 3.16Å |
| 121 | H | 90.7 | Very high | 89.5 | Confident | 116 Ų | 116 | 71.7 Ų | 71.7 | 54% | 0.537 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.7 | -41.3 | 174.5 | -76.2 | 124 | 0 | 0 | 0 | 112.7 | I117 L118 L119 L125 | I117-H121 PolarHBondContact O-N 3.48Å; I117-H121 PolarHBondContact O-ND1 3.01Å; L118-H121 PolarHBondContact O-N 3.33Å; L119-H121 VanDerWaalsContact C-N 3.32Å; L119-H121 PolarHBondContact O-N 2.95Å; H121-L125 VanDerWaalsContact O-CB 3.3Å; H121-L125 WeakPolarHBondContact O-CB 3.45Å; H121-L125 PolarHBondContact O-N 3Å |
| 122 | L | 93.1 | Very high | 89 | Confident | 13 Ų | 13 | 70.1 Ų | 70.1 | 7% | 0.068 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.8 | -42.5 | 177.4 | -76.4 | 172.4 | 0 | 0 | 0 | 111.7 | L118 L119 L125 V126 L207 F208 H211 | L118-L122 HydrophobicContact CD1-CD1 4.25Å; L118-L122 HydrophobicContact CD1-CG 4.24Å; L118-L122 HydrophobicContact CG-CD1 4.17Å; L118-L122 WeakPolarHBondContact O-CB 3.45Å; L118-L122 VanDerWaalsContact O-CG 3.3Å; L118-L122 WeakPolarHBondContact O-CG 3.48Å; L118-L122 PolarHBondContact O-N 3.43Å; L119-L122 PolarHBondContact O-N 2.95Å; L122-L125 PolarHBondContact O-N 3.45Å; L122-L125 VanDerWaalsContact O-N 3.1Å; L122-V126 WeakPolarHBondContact O-CB 3.41Å; L122-V126 WeakPolarHBondContact O-CG2 3.42Å; L122-V126 PolarHBondContact O-N 2.84Å; L122-L207 HydrophobicContact CD1-CG 4.34Å; L122-L207 HydrophobicContact CD2-CD2 3.87Å; L122-L207 HydrophobicContact CD2-CG 4.39Å; L122-F208 HydrophobicContact CB-CB 4.38Å; L122-F208 HydrophobicContact CB-CD2 3.9Å; L122-H211 HydrophobicContact CD1-CB 4.37Å |
| 123 | E | 91.4 | Very high | 88.6 | Confident | 117 Ų | 117 | 67.8 Ų | 67.8 | 55% | 0.547 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.7 | -48.4 | 173.4 | -176.1 | 173 | -160.7 | 0 | 0 | 110.8 | L119 L125 V126 A127 F208 | L119-E123 WeakPolarHBondContact O-CB 3.26Å; L119-E123 PolarHBondContact O-N 2.86Å; E123-L125 PolarHBondContact O-N 3.05Å; E123-V126 PolarHBondContact O-N 2.96Å; E123-A127 VanDerWaalsContact O-CB 3.28Å; E123-A127 WeakPolarHBondContact O-CB 3.37Å; E123-A127 PolarHBondContact O-N 2.92Å; E123-F208 HydrophobicContact CB-CD2 4.39Å; E123-F208 HydrophobicContact CB-CE2 3.82Å; E123-F208 HydrophobicContact CB-CZ 4.43Å |
| 124 | N | 88.8 | Confident | 88.1 | Confident | 54 Ų | 54 | 71.1 Ų | 71.1 | 29% | 0.289 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.2 | -29.9 | 174.3 | -85.8 | -75.5 | 0 | 0 | 0 | 112.9 | E120 R128 | E120-N124 WeakPolarHBondContact O-CB 3.34Å; E120-N124 PolarHBondContact O-N 3.01Å; E120-N124 PolarHBondContact O-ND2 3.16Å; N124-R128 VanDerWaalsContact O-CB 3.3Å; N124-R128 WeakPolarHBondContact O-CB 3.35Å; N124-R128 WeakPolarHBondContact O-CG 3.48Å; N124-R128 PolarHBondContact O-N 3.25Å; N124-R128 VanDerWaalsContact O-N 3.1Å; N124-R128 PolarHBondContact O-NE 3.14Å |
| 125 | L | 90.4 | Very high | 87.3 | Confident | 58 Ų | 58 | 70.8 Ų | 70.8 | 30% | 0.304 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -77 | -41.4 | 176.8 | -168.9 | 64.2 | 0 | 0 | 0 | 112.1 | H121 L122 E123 R128 H129 L204 | H121-L125 VanDerWaalsContact O-CB 3.3Å; H121-L125 WeakPolarHBondContact O-CB 3.45Å; H121-L125 PolarHBondContact O-N 3Å; L122-L125 PolarHBondContact O-N 3.45Å; L122-L125 VanDerWaalsContact O-N 3.1Å; E123-L125 PolarHBondContact O-N 3.05Å; L125-R128 PolarHBondContact O-N 3.34Å; L125-H129 PolarHBondContact O-N 3.29Å; L125-H129 PolarHBondContact O-ND1 2.81Å; L125-L204 HydrophobicContact CD2-CD1 4.35Å; L125-L204 HydrophobicContact CD2-CD2 3.81Å; L125-L204 HydrophobicContact CG-CD1 4.21Å; L125-L204 HydrophobicContact CG-CD2 4.48Å |
| 126 | V | 91 | Very high | 86.8 | Confident | 18 Ų | 18 | 71.6 Ų | 71.6 | 11% | 0.109 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.8 | -49.7 | 172.2 | 166.1 | 0 | 0 | 0 | 0 | 110.2 | L122 E123 R128 H129 E130 L201 L204 K205 | L122-V126 WeakPolarHBondContact O-CB 3.41Å; L122-V126 WeakPolarHBondContact O-CG2 3.42Å; L122-V126 PolarHBondContact O-N 2.84Å; E123-V126 PolarHBondContact O-N 2.96Å; V126-R128 VanDerWaalsContact C-N 3.32Å; V126-R128 PolarHBondContact O-N 2.78Å; V126-H129 PolarHBondContact O-N 2.68Å; V126-E130 WeakPolarHBondContact O-CB 3.13Å; V126-E130 PolarHBondContact O-N 3.47Å; V126-L201 HydrophobicContact CG1-CD1 4.06Å; V126-L204 HydrophobicContact CG2-CB 3.77Å; V126-K205 HydrophobicContact CG1-CD 4.19Å; V126-K205 VanDerWaalsContact CG1-CE 3.4Å; V126-K205 HydrophobicContact CG1-CG 3.65Å; V126-K205 HydrophobicContact CG2-CG 4.09Å |
| 127 | A | 88.9 | Confident | 86 | Confident | 56 Ų | 56 | 67.4 Ų | 67.4 | 46% | 0.463 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.3 | -37.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E123 K131 | E123-A127 VanDerWaalsContact O-CB 3.28Å; E123-A127 WeakPolarHBondContact O-CB 3.37Å; E123-A127 PolarHBondContact O-N 2.92Å; A127-K131 WeakPolarHBondContact O-CB 3.23Å; A127-K131 PolarHBondContact O-N 2.97Å |
| 128 | R | 84.3 | Confident | 85.2 | Confident | 120 Ų | 120 | 67.8 Ų | 67.8 | 45% | 0.453 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67 | -42.4 | 173.6 | -80.8 | 177.5 | -68.7 | -178.1 | 1.1 | 112.7 | N124 L125 V126 K131 S132 | N124-R128 VanDerWaalsContact O-CB 3.3Å; N124-R128 WeakPolarHBondContact O-CB 3.35Å; N124-R128 WeakPolarHBondContact O-CG 3.48Å; N124-R128 PolarHBondContact O-N 3.25Å; N124-R128 VanDerWaalsContact O-N 3.1Å; N124-R128 PolarHBondContact O-NE 3.14Å; L125-R128 PolarHBondContact O-N 3.34Å; V126-R128 VanDerWaalsContact C-N 3.32Å; V126-R128 PolarHBondContact O-N 2.78Å; R128-K131 PolarHBondContact O-N 3.21Å; R128-S132 WeakPolarHBondContact O-CB 3.38Å; R128-S132 PolarHBondContact O-N 2.77Å |
| 129 | H | 84.5 | Confident | 84.1 | Confident | 55 Ų | 55 | 71.4 Ų | 71.4 | 26% | 0.255 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -68.3 | -40.9 | 176.2 | -79.2 | 86 | 0 | 0 | 0 | 112.3 | L125 V126 K131 S132 L133 L201 L204 | L125-H129 PolarHBondContact O-N 3.29Å; L125-H129 PolarHBondContact O-ND1 2.81Å; V126-H129 PolarHBondContact O-N 2.68Å; H129-K131 VanDerWaalsContact C-N 3.32Å; H129-K131 PolarHBondContact O-N 3.4Å; H129-S132 WeakPolarHBondContact O-CB 3.43Å; H129-S132 PolarHBondContact O-N 2.95Å; H129-L133 WeakPolarHBondContact O-CB 3.35Å; H129-L133 PolarHBondContact O-N 2.9Å; H129-L201 HydrophobicContact CB-CD1 3.92Å; H129-L204 HydrophobicContact CB-CD1 4.36Å; H129-L204 WeakPolarHBondContact ND1-CD1 3.29Å |
| 130 | E | 90 | Very high | 82.7 | Confident | 49 Ų | 49 | 75.7 Ų | 75.7 | 23% | 0.229 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.4 | -38.1 | 175.3 | -164.1 | 179.7 | 124.4 | 0 | 0 | 111.6 | V126 L133 R134 L201 K205 | V126-E130 WeakPolarHBondContact O-CB 3.13Å; V126-E130 PolarHBondContact O-N 3.47Å; E130-L133 PolarHBondContact O-N 2.86Å; E130-R134 WeakPolarHBondContact O-CB 3.36Å; E130-R134 VanDerWaalsContact O-CG 3.23Å; E130-R134 WeakPolarHBondContact O-CG 3.49Å; E130-R134 PolarHBondContact O-N 3.18Å; E130-R134 IonicContact OE1-CZ 3.06Å; E130-R134 VanDerWaalsContact OE1-CZ 3.3Å; E130-R134 IonicContact OE1-NE 3.89Å; E130-R134 PolarHBondContact OE1-NE 3.37Å; E130-R134 IonicContact OE1-NH2 3.06Å; E130-R134 PolarHBondContact OE1-NH2 3.46Å; E130-L201 HydrophobicContact CB-CD1 4.25Å; E130-L201 HydrophobicContact CB-CD2 3.94Å; E130-L201 HydrophobicContact CG-CD2 4.02Å; E130-K205 IonicContact OE2-NZ 2.72Å; E130-K205 PolarHBondContact OE2-NZ 3.16Å |
| 131 | K | 82.1 | Confident | 81.6 | Confident | 53 Ų | 53 | 76.3 Ų | 76.3 | 23% | 0.23 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.3 | -39.5 | 171.9 | -168.6 | -172.4 | -179.7 | -166.6 | 0 | 112.2 | A127 R128 H129 M135 L436 L440 | A127-K131 WeakPolarHBondContact O-CB 3.23Å; A127-K131 PolarHBondContact O-N 2.97Å; R128-K131 PolarHBondContact O-N 3.21Å; H129-K131 VanDerWaalsContact C-N 3.32Å; H129-K131 PolarHBondContact O-N 3.4Å; K131-M135 WeakPolarHBondContact O-CB 3.49Å; K131-M135 VanDerWaalsContact O-CG 3.3Å; K131-M135 WeakPolarHBondContact O-CG 3.42Å; K131-M135 PolarHBondContact O-N 3.34Å; K131-L436 PolarHBondContact NZ-O 3.27Å; K131-L440 HydrophobicContact CD-CD1 4.46Å; K131-L440 HydrophobicContact CG-CD1 4Å |
| 132 | S | 80.4 | Confident | 80.3 | Confident | 52 Ų | 52 | 74.4 Ų | 74.4 | 36% | 0.364 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -57.7 | -55.4 | 172.8 | 178.2 | 0 | 0 | 0 | 0 | 110.5 | R128 H129 R134 M135 T136 E197 | R128-S132 WeakPolarHBondContact O-CB 3.38Å; R128-S132 PolarHBondContact O-N 2.77Å; H129-S132 WeakPolarHBondContact O-CB 3.43Å; H129-S132 PolarHBondContact O-N 2.95Å; S132-R134 PolarHBondContact O-N 3.06Å; S132-M135 CarbonylContact O-C 3.6Å; S132-M135 WeakPolarHBondContact O-CA 3.49Å; S132-M135 PolarHBondContact O-N 2.97Å; S132-T136 WeakPolarHBondContact O-CB 3.31Å; S132-T136 PolarHBondContact O-N 3.23Å; S132-T136 PolarHBondContact O-OG1 3.48Å; S132-E197 WeakPolarHBondContact CB-OE1 3.35Å; S132-E197 PolarHBondContact OG-OE1 3.37Å |
| 133 | L | 81.6 | Confident | 78.5 | Confident | 28 Ų | 28 | 77.3 Ų | 77.3 | 15% | 0.147 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -56.8 | -47.7 | 179.9 | -172.5 | 74.3 | 0 | 0 | 0 | 111.6 | H129 E130 M135 T136 V137 L194 E197 V198 L201 | H129-L133 WeakPolarHBondContact O-CB 3.35Å; H129-L133 PolarHBondContact O-N 2.9Å; E130-L133 PolarHBondContact O-N 2.86Å; L133-M135 VanDerWaalsContact C-N 3.34Å; L133-M135 PolarHBondContact O-N 3.3Å; L133-T136 PolarHBondContact O-N 2.86Å; L133-V137 WeakPolarHBondContact O-CG2 3.4Å; L133-V137 PolarHBondContact O-N 2.98Å; L133-L194 HydrophobicContact CD1-CD2 3.89Å; L133-E197 HydrophobicContact CD1-CB 4Å; L133-E197 HydrophobicContact CD1-CG 3.89Å; L133-E197 PolarHBondContact N-OE1 2.93Å; L133-V198 HydrophobicContact CD1-CG2 3.93Å; L133-V198 HydrophobicContact CD2-CG2 3.89Å; L133-L201 HydrophobicContact CD2-CD2 4.17Å |
| 134 | R | 79.9 | Confident | 76.8 | Confident | 157 Ų | 157 | 76.5 Ų | 76.5 | 59% | 0.592 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -57.7 | -43.7 | 174.6 | -72.7 | 170.5 | -175.3 | -102.7 | 8.3 | 111.7 | E130 S132 V138 | E130-R134 WeakPolarHBondContact O-CB 3.36Å; E130-R134 VanDerWaalsContact O-CG 3.23Å; E130-R134 WeakPolarHBondContact O-CG 3.49Å; E130-R134 PolarHBondContact O-N 3.18Å; E130-R134 IonicContact OE1-CZ 3.06Å; E130-R134 VanDerWaalsContact OE1-CZ 3.3Å; E130-R134 IonicContact OE1-NE 3.89Å; E130-R134 PolarHBondContact OE1-NE 3.37Å; E130-R134 IonicContact OE1-NH2 3.06Å; E130-R134 PolarHBondContact OE1-NH2 3.46Å; S132-R134 PolarHBondContact O-N 3.06Å; R134-V138 WeakPolarHBondContact O-CB 3.43Å; R134-V138 VanDerWaalsContact O-CG2 3.3Å; R134-V138 WeakPolarHBondContact O-CG2 3.13Å; R134-V138 PolarHBondContact O-N 2.84Å |
| 135 | M | 73.1 | Confident | 75 | Confident | 96 Ų | 96 | 77.1 Ų | 77.1 | 47% | 0.473 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -69.6 | -36.2 | 177 | -74.3 | -61.3 | -64.1 | 0 | 0 | 113.3 | K131 S132 L133 K139 L440 | K131-M135 WeakPolarHBondContact O-CB 3.49Å; K131-M135 VanDerWaalsContact O-CG 3.3Å; K131-M135 WeakPolarHBondContact O-CG 3.42Å; K131-M135 PolarHBondContact O-N 3.34Å; S132-M135 CarbonylContact O-C 3.6Å; S132-M135 WeakPolarHBondContact O-CA 3.49Å; S132-M135 PolarHBondContact O-N 2.97Å; L133-M135 VanDerWaalsContact C-N 3.34Å; L133-M135 PolarHBondContact O-N 3.3Å; M135-K139 WeakPolarHBondContact O-CB 3.3Å; M135-K139 PolarHBondContact O-N 3.17Å; M135-L440 HydrophobicContact CG-CD1 4.03Å; M135-L440 HydrophobicContact SD-CD1 3.64Å |
| 136 | T | 77.7 | Confident | 73.1 | Confident | 39 Ų | 39 | 81.8 Ų | 81.8 | 24% | 0.239 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -64.8 | -42.5 | 174.9 | -68.9 | 0 | 0 | 0 | 0 | 111.1 | S132 L133 R140 L194 | S132-T136 WeakPolarHBondContact O-CB 3.31Å; S132-T136 PolarHBondContact O-N 3.23Å; S132-T136 PolarHBondContact O-OG1 3.48Å; L133-T136 PolarHBondContact O-N 2.86Å; T136-R140 WeakPolarHBondContact O-CG 3.45Å; T136-R140 PolarHBondContact O-N 2.93Å; T136-R140 VanDerWaalsContact O-N 3.09Å; T136-L194 HydrophobicContact CG2-CD2 4.19Å |
| 137 | V | 73.6 | Confident | 71.2 | Confident | 52 Ų | 52 | 84.8 Ų | 84.8 | 32% | 0.315 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62 | -54.3 | 172.9 | 169 | 0 | 0 | 0 | 0 | 110.6 | L133 K139 R140 H141 | L133-V137 WeakPolarHBondContact O-CG2 3.4Å; L133-V137 PolarHBondContact O-N 2.98Å; V137-K139 VanDerWaalsContact C-N 3.32Å; V137-K139 PolarHBondContact O-N 3.01Å; V137-R140 PolarHBondContact O-N 3.45Å; V137-R140 VanDerWaalsContact O-N 3.12Å; V137-H141 PolarHBondContact O-CD2 2.93Å; V137-H141 PolarHBondContact O-N 3.24Å |
| 138 | V | 73.2 | Confident | 69.2 | Low | 78 Ų | 78 | 88.7 Ų | 88.7 | 47% | 0.473 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -56.8 | -43.2 | 178.4 | 168.3 | 0 | 0 | 0 | 0 | 112 | R134 R140 H141 T142 | R134-V138 WeakPolarHBondContact O-CB 3.43Å; R134-V138 VanDerWaalsContact O-CG2 3.3Å; R134-V138 WeakPolarHBondContact O-CG2 3.13Å; R134-V138 PolarHBondContact O-N 2.84Å; V138-R140 VanDerWaalsContact C-N 3.33Å; V138-R140 PolarHBondContact O-N 2.78Å; V138-H141 PolarHBondContact O-N 3.49Å; V138-T142 PolarHBondContact O-N 3.36Å; V138-T142 PolarHBondContact O-OG1 3.36Å |
| 139 | K | 68.6 | Low | 66.9 | Low | 148 Ų | 148 | 87.8 Ų | 87.8 | 64% | 0.643 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -67.5 | -30.7 | 179.8 | -173.9 | 173.5 | 179.6 | 179.7 | 0 | 113 | M135 V137 T142 S143 | M135-K139 WeakPolarHBondContact O-CB 3.3Å; M135-K139 PolarHBondContact O-N 3.17Å; V137-K139 VanDerWaalsContact C-N 3.32Å; V137-K139 PolarHBondContact O-N 3.01Å; K139-T142 PolarHBondContact O-OG1 3.42Å; K139-S143 WeakPolarHBondContact O-CB 3.33Å; K139-S143 PolarHBondContact O-N 3.37Å; K139-S143 PolarHBondContact O-OG 3.43Å |
| 140 | R | 63.8 | Low | 64.5 | Low | 114 Ų | 114 | 90.9 Ų | 90.9 | 43% | 0.43 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.6 | -46.5 | 170.3 | -76.3 | 179.3 | 174.6 | 136.4 | -3.8 | 110.6 | T136 V137 V138 T142 S143 T144 G193 L194 | T136-R140 WeakPolarHBondContact O-CG 3.45Å; T136-R140 PolarHBondContact O-N 2.93Å; T136-R140 VanDerWaalsContact O-N 3.09Å; V137-R140 PolarHBondContact O-N 3.45Å; V137-R140 VanDerWaalsContact O-N 3.12Å; V138-R140 VanDerWaalsContact C-N 3.33Å; V138-R140 PolarHBondContact O-N 2.78Å; R140-T142 PolarHBondContact O-N 3.18Å; R140-S143 WeakPolarHBondContact O-CB 3.47Å; R140-S143 PolarHBondContact O-N 3.22Å; R140-T144 PolarHBondContact O-N 3.47Å; R140-T144 PolarHBondContact O-OG1 3.36Å; R140-T144 VanDerWaalsContact O-OG1 3.11Å; R140-G193 PolarHBondContact NH1-O 2.94Å; R140-G193 PolarHBondContact NH2-O 3.38Å; R140-L194 VanDerWaalsContact NH1-CG 3.28Å |
| 141 | H | 65.9 | Low | 62 | Low | 130 Ų | 130 | 97 Ų | 97 | 60% | 0.602 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -59.2 | -42.9 | 176.3 | -70.3 | -68.6 | 0 | 0 | 0 | 113.6 | V137 V138 S143 T144 A145 | V137-H141 PolarHBondContact O-CD2 2.93Å; V137-H141 PolarHBondContact O-N 3.24Å; V138-H141 PolarHBondContact O-N 3.49Å; H141-S143 VanDerWaalsContact C-N 3.34Å; H141-S143 PolarHBondContact O-N 2.94Å; H141-T144 PolarHBondContact O-N 3.03Å; H141-A145 PolarHBondContact O-N 3.24Å |
| 142 | T | 64 | Low | 59.7 | Low | 75 Ų | 75 | 99.9 Ų | 99.9 | 46% | 0.46 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -69.7 | -31.2 | 177.8 | 56.2 | 0 | 0 | 0 | 0 | 113 | V138 K139 R140 T144 A145 M146 | V138-T142 PolarHBondContact O-N 3.36Å; V138-T142 PolarHBondContact O-OG1 3.36Å; K139-T142 PolarHBondContact O-OG1 3.42Å; R140-T142 PolarHBondContact O-N 3.18Å; T142-T144 VanDerWaalsContact C-N 3.33Å; T142-T144 PolarHBondContact O-N 3.18Å; T142-A145 PolarHBondContact O-N 3.41Å; T142-A145 VanDerWaalsContact O-N 3.17Å; T142-M146 PolarHBondContact O-N 2.93Å |
| 143 | S | 54.8 | Low | 57.3 | Low | 75 Ų | 75 | 104.9 Ų | 104.9 | 52% | 0.524 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.7 | -38.5 | 174.8 | -59.2 | 0 | 0 | 0 | 0 | 111.8 | K139 R140 H141 A145 | K139-S143 WeakPolarHBondContact O-CB 3.33Å; K139-S143 PolarHBondContact O-N 3.37Å; K139-S143 PolarHBondContact O-OG 3.43Å; R140-S143 WeakPolarHBondContact O-CB 3.47Å; R140-S143 PolarHBondContact O-N 3.22Å; H141-S143 VanDerWaalsContact C-N 3.34Å; H141-S143 PolarHBondContact O-N 2.94Å; S143-A145 VanDerWaalsContact C-N 3.28Å; S143-A145 PolarHBondContact O-N 3.08Å |
| 144 | T | 55.6 | Low | 54.9 | Low | 99 Ų | 99 | 110.9 Ų | 110.9 | 61% | 0.607 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -70.7 | -20.3 | 175.1 | -40.2 | 0 | 0 | 0 | 0 | 113.2 | R140 H141 T142 S147 | R140-T144 PolarHBondContact O-N 3.47Å; R140-T144 PolarHBondContact O-OG1 3.36Å; R140-T144 VanDerWaalsContact O-OG1 3.11Å; H141-T144 PolarHBondContact O-N 3.03Å; T142-T144 VanDerWaalsContact C-N 3.33Å; T142-T144 PolarHBondContact O-N 3.18Å; T144-S147 PolarHBondContact O-OG 2.76Å |
| 145 | A | 51.3 | Low | 53.2 | Low | 67 Ų | 67 | 109.6 Ų | 109.6 | 55% | 0.554 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -84.2 | -33.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | H141 T142 S143 S147 | H141-A145 PolarHBondContact O-N 3.24Å; T142-A145 PolarHBondContact O-N 3.41Å; T142-A145 VanDerWaalsContact O-N 3.17Å; S143-A145 VanDerWaalsContact C-N 3.28Å; S143-A145 PolarHBondContact O-N 3.08Å; A145-S147 VanDerWaalsContact C-N 3.32Å; A145-S147 PolarHBondContact O-N 2.91Å |
| 146 | M | 49.9 | Very low | 51 | Low | 157 Ų | 157 | 108.9 Ų | 108.9 | 77% | 0.773 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -6.3 | -174.3 | -69.4 | -166 | 72.3 | 0 | 0 | 115 | T142 N148 | T142-M146 PolarHBondContact O-N 2.93Å; M146-N148 VanDerWaalsContact C-N 3.32Å |
| 147 | S | 51.2 | Low | 48.7 | Very low | 81 Ų | 81 | 111.1 Ų | 111.1 | 57% | 0.566 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -13.4 | 175.7 | 50.1 | 0 | 0 | 0 | 0 | 114.4 | T144 A145 | T144-S147 PolarHBondContact O-OG 2.76Å; A145-S147 VanDerWaalsContact C-N 3.32Å; A145-S147 PolarHBondContact O-N 2.91Å |
| 148 | N | 47.5 | Very low | 46.5 | Very low | 137 Ų | 137 | 114.9 Ų | 114.9 | 73% | 0.733 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -106.5 | 15.2 | -160.7 | -65.5 | 9.2 | 0 | 0 | 0 | 114.5 | M146 | M146-N148 VanDerWaalsContact C-N 3.32Š|
| 149 | S | 36.4 | Very low | 44.2 | Very low | 101 Ų | 101 | 118.9 Ų | 118.9 | 71% | 0.706 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -123 | 22.7 | -171.8 | 52.6 | 0 | 0 | 0 | 0 | 116 | ||
| 150 | T | 33.5 | Very low | 42.5 | Very low | 121 Ų | 121 | 115.6 Ų | 115.6 | 74% | 0.742 | 71% | 0.708 | S | S | * | * | trans | -137.9 | 95.9 | 162.5 | 55.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 151 | N | 38 | Very low | 40.8 | Very low | 177 Ų | 177 | 117.3 Ų | 117.3 | 95% | 0.947 | 73% | 0.726 | S | S | * | * | trans | -174.1 | 107.9 | 155.1 | -99.2 | -27.3 | 0 | 0 | 0 | 112.4 | ||||
| 152 | S | 33.1 | Very low | 39.1 | Very low | 114 Ų | 114 | 114.5 Ų | 114.5 | 80% | 0.797 | 73% | 0.732 | S | S | * | * | trans | -153.3 | 159.2 | 154.4 | 66.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 153 | L | 30.6 | Very low | 37.2 | Very low | 156 Ų | 156 | 119.5 Ų | 119.5 | 82% | 0.817 | 75% | 0.751 | S | S | * | * | S | Bend | trans | 87.2 | 77.3 | -168.6 | -60.7 | 156 | 0 | 0 | 0 | 116.5 | ||
| 154 | I | 31.8 | Very low | 36.1 | Very low | 155 Ų | 155 | 122.6 Ų | 122.6 | 80% | 0.795 | 77% | 0.766 | S | S | * | * | 55.7 | 128.5 | 117.9 | -60.5 | 171 | 0 | 0 | 0 | 118.6 | |||||
| 155 | P | 44.3 | Very low | 34.7 | Very low | 130 Ų | 130 | 123.4 Ų | 123.4 | 84% | 0.844 | 77% | 0.771 | S | S | * | * | trans | -96.3 | 173.9 | -165.9 | 40.1 | -39.3 | 0 | 0 | 0 | 115.7 | ||||
| 156 | G | 27.1 | Very low | 33.4 | Very low | 81 Ų | 81 | 126 Ų | 126 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | trans | -161.5 | 154.6 | 162 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 157 | G | 28.6 | Very low | 32.3 | Very low | 86 Ų | 86 | 123.9 Ų | 123.9 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | trans | 103.5 | 78.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 158 | T | 28.2 | Very low | 31.1 | Very low | 130 Ų | 130 | 128.8 Ų | 128.8 | 80% | 0.798 | 80% | 0.798 | S | S | * | * | trans | -78 | 158.8 | 158.9 | 42.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 159 | M | 24.7 | Very low | 30.4 | Very low | 163 Ų | 163 | 131.6 Ų | 131.6 | 80% | 0.803 | 81% | 0.809 | S | S | * | * | 160.1 | 157.5 | 124.3 | -83.6 | -55.8 | -71.9 | 0 | 0 | 113.1 | |||||
| 160 | A | 32.6 | Very low | 30.1 | Very low | 79 Ų | 79 | 133 Ų | 133 | 65% | 0.653 | 81% | 0.809 | S | S | * | * | trans | 73.1 | 147.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 161 | D | 28.3 | Very low | 29.9 | Very low | 149 Ų | 149 | 133.4 Ų | 133.4 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | cis | -167.6 | 155.4 | -26.8 | -96.5 | -28.9 | 0 | 0 | 0 | 109.9 | ||||
| 162 | G | 28.8 | Very low | 29.6 | Very low | 72 Ų | 72 | 132.5 Ų | 132.5 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | trans | 81.8 | 125.7 | 172 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 163 | E | 25.7 | Very low | 29.5 | Very low | 180 Ų | 180 | 133.4 Ų | 133.4 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | cis | 84.1 | 86.5 | 30.2 | -60.3 | -154.6 | 132.2 | 0 | 0 | 117.4 | ||||
| 164 | T | 30.3 | Very low | 29.5 | Very low | 140 Ų | 140 | 130.9 Ų | 130.9 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | trans | -172.9 | 117.7 | 146.1 | 5.3 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 165 | V | 26.5 | Very low | 29.6 | Very low | 116 Ų | 116 | 129 Ų | 129 | 70% | 0.703 | 79% | 0.791 | S | S | * | * | cis | 77.3 | 136.1 | 19.4 | -166.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 166 | C | 24.9 | Very low | 29.7 | Very low | 120 Ų | 120 | 128 Ų | 128 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | trans | 81.4 | 118.5 | -164.5 | -54.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 167 | S | 25.2 | Very low | 29.9 | Very low | 113 Ų | 113 | 131.8 Ų | 131.8 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | cis | 109.9 | 137.2 | 16 | -66.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 168 | E | 26.4 | Very low | 29.7 | Very low | 185 Ų | 185 | 138.3 Ų | 138.3 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | trans | 72.8 | 102.3 | 151.2 | -153.6 | 157.4 | -132.1 | 0 | 0 | 118.8 | ||||
| 169 | M | 33.8 | Very low | 29.7 | Very low | 195 Ų | 195 | 137.4 Ų | 137.4 | 96% | 0.961 | 78% | 0.784 | S | S | * | * | trans | -153.9 | 147.9 | 152.5 | -132.9 | 178.1 | -164 | 0 | 0 | 110.8 | ||||
| 170 | D | 30.4 | Very low | 29.8 | Very low | 131 Ų | 131 | 137 Ų | 137 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | trans | -93.9 | 139.2 | -156.2 | -77.5 | -65.6 | 0 | 0 | 0 | 117.8 | ||||
| 171 | I | 27.8 | Very low | 29.6 | Very low | 129 Ų | 129 | 141.1 Ų | 141.1 | 66% | 0.662 | 79% | 0.793 | S | S | * | * | 38.2 | 117.7 | 127.8 | -49.8 | 169.6 | 0 | 0 | 0 | 118.3 | |||||
| 172 | L | 32.3 | Very low | 29.5 | Very low | 158 Ų | 158 | 138 Ų | 138 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | -168.7 | 112.6 | 115.4 | -101.1 | 173.7 | 0 | 0 | 0 | 114 | |||||
| 173 | N | 31.5 | Very low | 29.5 | Very low | 134 Ų | 134 | 140.5 Ų | 140.5 | 72% | 0.717 | 79% | 0.789 | S | S | * | * | trans | -10.9 | 147 | 150.8 | -54.8 | -18.1 | 0 | 0 | 0 | 118 | ||||
| 174 | S | 31.1 | Very low | 29.7 | Very low | 103 Ų | 103 | 138.8 Ų | 138.8 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | cis | -166.6 | -178.7 | -8.1 | -77 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 175 | S | 32.6 | Very low | 29.5 | Very low | 114 Ų | 114 | 135.9 Ų | 135.9 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | cis | -148.8 | 169.5 | 20.2 | -64.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 176 | P | 47.6 | Very low | 29.6 | Very low | 109 Ų | 109 | 135.6 Ų | 135.6 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | trans | -116.9 | 158.2 | -160.1 | 41.4 | -32.4 | 0 | 0 | 0 | 116.5 | ||||
| 177 | N | 29.5 | Very low | 29.9 | Very low | 162 Ų | 162 | 137.1 Ų | 137.1 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | -162.5 | 152.8 | 108 | -95 | -24.3 | 0 | 0 | 0 | 111.5 | |||||
| 178 | Y | 25 | Very low | 30.4 | Very low | 223 Ų | 223 | 136.7 Ų | 136.7 | 88% | 0.875 | 80% | 0.795 | S | S | * | * | trans | -154 | 124.3 | -158.9 | -153.8 | -78.2 | 0 | 0 | 0 | 111.1 | ||||
| 179 | S | 27.9 | Very low | 31 | Very low | 111 Ų | 111 | 133.6 Ų | 133.6 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | -177.5 | 138.1 | 166.8 | -176.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 180 | M | 27.6 | Very low | 31.3 | Very low | 153 Ų | 153 | 129.7 Ų | 129.7 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | cis | -153.7 | 127.5 | -19.7 | -110 | -60.1 | -151.4 | 0 | 0 | 105.9 | ||||
| 181 | N | 27.9 | Very low | 32 | Very low | 166 Ų | 166 | 130.2 Ų | 130.2 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | trans | -155.2 | 111 | 171.9 | -115.9 | -26.1 | 0 | 0 | 0 | 110.5 | ||||
| 182 | A | 27.4 | Very low | 33.1 | Very low | 83 Ų | 83 | 128.3 Ų | 128.3 | 69% | 0.686 | 79% | 0.786 | S | S | * | * | trans | -152.1 | 112.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 183 | T | 28.5 | Very low | 34.2 | Very low | 125 Ų | 125 | 123 Ų | 123 | 77% | 0.767 | 77% | 0.769 | S | S | * | * | 95.3 | 145.9 | 76.1 | -63.7 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 184 | T | 29.8 | Very low | 35.3 | Very low | 145 Ų | 145 | 117.9 Ų | 117.9 | 89% | 0.89 | 74% | 0.742 | S | S | * | * | trans | 74.7 | 139.9 | -169.1 | 77.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 185 | G | 25.9 | Very low | 36.7 | Very low | 79 Ų | 79 | 114.4 Ų | 114.4 | 81% | 0.814 | 72% | 0.723 | S | S | * | * | cis | 164.3 | 80.6 | -8.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 186 | S | 29.5 | Very low | 38.8 | Very low | 110 Ų | 110 | 112.8 Ų | 112.8 | 77% | 0.769 | 71% | 0.711 | S | S | * | * | trans | -136.6 | 120.5 | 169.9 | 51.6 | 0 | 0 | 0 | 0 | 111.5 | S188 | S186-S188 PolarHBondContact O-N 3.44Š| ||
| 187 | T | 30.5 | Very low | 40 | Very low | 152 Ų | 152 | 109.5 Ų | 109.5 | 93% | 0.933 | 69% | 0.687 | S | S | * | * | trans | -82.5 | 93.1 | -173.6 | -1.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 188 | S | 34.5 | Very low | 42.4 | Very low | 103 Ų | 103 | 104.4 Ų | 104.4 | 72% | 0.72 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -73 | 137.5 | 172.4 | -66.5 | 0 | 0 | 0 | 0 | 112 | S186 S190 | S186-S188 PolarHBondContact O-N 3.44Å; S188-S190 PolarHBondContact O-N 2.99Å |
| 189 | P | 39.5 | Very low | 45.2 | Very low | 121 Ų | 121 | 99.8 Ų | 99.8 | 79% | 0.786 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 131.3 | 176.9 | -22.3 | 33.7 | 0 | 0 | 0 | 112.7 | M191 | P189-M191 PolarHBondContact O-N 2.94Š|
| 190 | S | 40.1 | Very low | 47.8 | Very low | 112 Ų | 112 | 97.8 Ų | 97.8 | 78% | 0.783 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 123 | -174.9 | 57 | 0 | 0 | 0 | 0 | 113.4 | S188 A192 | S188-S190 PolarHBondContact O-N 2.99Å; S190-A192 VanDerWaalsContact C-N 3.27Å; S190-A192 PolarHBondContact O-N 3.34Å |
| 191 | M | 44.8 | Very low | 50.6 | Low | 143 Ų | 143 | 91.2 Ų | 91.2 | 70% | 0.704 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -1.4 | -174.3 | -82 | -76.1 | -77 | 0 | 0 | 116.5 | P189 G193 L194 | P189-M191 PolarHBondContact O-N 2.94Å; M191-G193 PolarHBondContact O-N 3.45Å; M191-L194 HydrophobicContact CE-CD1 3.75Å; M191-L194 HydrophobicContact SD-CD1 4.26Å |
| 192 | A | 51.1 | Low | 53.5 | Low | 88 Ų | 88 | 90.4 Ų | 90.4 | 73% | 0.727 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.4 | -25.6 | -167.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | S190 L194 | S190-A192 VanDerWaalsContact C-N 3.27Å; S190-A192 PolarHBondContact O-N 3.34Å; A192-L194 PolarHBondContact O-N 3.21Å |
| 193 | G | 55.1 | Low | 56.4 | Low | 46 Ų | 46 | 89.4 Ų | 89.4 | 47% | 0.474 | 58% | 0.578 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.2 | 35.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116 | R140 M191 | R140-G193 PolarHBondContact NH1-O 2.94Å; R140-G193 PolarHBondContact NH2-O 3.38Å; M191-G193 PolarHBondContact O-N 3.45Å |
| 194 | L | 55.7 | Low | 59.4 | Low | 27 Ų | 27 | 84.5 Ų | 84.5 | 14% | 0.141 | 55% | 0.548 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.1 | -23.6 | 172.5 | -80.7 | 172.9 | 0 | 0 | 0 | 114 | L133 T136 R140 M191 A192 S196 E197 V198 | L133-L194 HydrophobicContact CD1-CD2 3.89Å; T136-L194 HydrophobicContact CG2-CD2 4.19Å; R140-L194 VanDerWaalsContact NH1-CG 3.28Å; M191-L194 HydrophobicContact CE-CD1 3.75Å; M191-L194 HydrophobicContact SD-CD1 4.26Å; A192-L194 PolarHBondContact O-N 3.21Å; L194-S196 PolarHBondContact O-N 3.27Å; L194-E197 PolarHBondContact O-N 2.86Å; L194-V198 WeakPolarHBondContact O-CG2 3.47Å; L194-V198 PolarHBondContact O-N 3.17Å |
| 195 | G | 60.7 | Low | 62.3 | Low | 31 Ų | 31 | 82 Ų | 82 | 32% | 0.32 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -54.7 | -50.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E197 V198 E199 | G195-E197 PolarHBondContact O-N 3.33Å; G195-V198 CarbonylContact O-C 3.43Å; G195-V198 WeakPolarHBondContact O-CB 3.3Å; G195-V198 PolarHBondContact O-N 2.9Å; G195-V198 VanDerWaalsContact O-N 3.12Å; G195-E199 WeakPolarHBondContact O-CB 3.27Å; G195-E199 WeakPolarHBondContact O-CG 3.32Å; G195-E199 PolarHBondContact O-N 3.03Å |
| 196 | S | 76.1 | Confident | 65.4 | Low | 79 Ų | 79 | 82.2 Ų | 82.2 | 55% | 0.552 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.8 | -35.2 | -178.5 | 54 | 0 | 0 | 0 | 0 | 114.6 | L194 V198 E199 V200 | L194-S196 PolarHBondContact O-N 3.27Å; S196-V198 VanDerWaalsContact C-N 3.33Å; S196-E199 PolarHBondContact O-N 2.91Å; S196-V200 WeakPolarHBondContact O-CB 3.49Å; S196-V200 WeakPolarHBondContact O-CG2 3.4Å; S196-V200 PolarHBondContact O-N 3.24Å |
| 197 | E | 72.6 | Confident | 68.3 | Low | 41 Ų | 41 | 80.7 Ų | 80.7 | 19% | 0.192 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -70.5 | -32.6 | 176 | -165.3 | 176.6 | -171.1 | 0 | 0 | 111 | S132 L133 L194 G195 L201 | S132-E197 WeakPolarHBondContact CB-OE1 3.35Å; S132-E197 PolarHBondContact OG-OE1 3.37Å; L133-E197 HydrophobicContact CD1-CB 4Å; L133-E197 HydrophobicContact CD1-CG 3.89Å; L133-E197 PolarHBondContact N-OE1 2.93Å; L194-E197 PolarHBondContact O-N 2.86Å; G195-E197 PolarHBondContact O-N 3.33Å; E197-L201 WeakPolarHBondContact O-CB 3.31Å; E197-L201 PolarHBondContact O-N 2.82Å; E197-L201 VanDerWaalsContact O-N 3.14Å |
| 198 | V | 80.2 | Confident | 71.3 | Confident | 55 Ų | 55 | 75.7 Ų | 75.7 | 33% | 0.333 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -73.3 | -40.6 | 173.4 | 175.9 | 0 | 0 | 0 | 0 | 111.8 | L133 L194 G195 S196 L201 K202 | L133-V198 HydrophobicContact CD1-CG2 3.93Å; L133-V198 HydrophobicContact CD2-CG2 3.89Å; L194-V198 WeakPolarHBondContact O-CG2 3.47Å; L194-V198 PolarHBondContact O-N 3.17Å; G195-V198 CarbonylContact O-C 3.43Å; G195-V198 WeakPolarHBondContact O-CB 3.3Å; G195-V198 PolarHBondContact O-N 2.9Å; G195-V198 VanDerWaalsContact O-N 3.12Å; S196-V198 VanDerWaalsContact C-N 3.33Å; V198-L201 PolarHBondContact O-N 2.98Å; V198-K202 WeakPolarHBondContact O-CG 3.5Å; V198-K202 PolarHBondContact O-N 2.92Å |
| 199 | E | 83.2 | Confident | 74 | Confident | 125 Ų | 125 | 74.9 Ų | 74.9 | 58% | 0.584 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -64 | -44.5 | 176.4 | -74.1 | 154.8 | -156 | 0 | 0 | 111.4 | G195 S196 L201 K202 A203 | G195-E199 WeakPolarHBondContact O-CB 3.27Å; G195-E199 WeakPolarHBondContact O-CG 3.32Å; G195-E199 PolarHBondContact O-N 3.03Å; S196-E199 PolarHBondContact O-N 2.91Å; E199-L201 VanDerWaalsContact C-N 3.32Å; E199-L201 PolarHBondContact O-N 3.09Å; E199-K202 PolarHBondContact O-N 3.24Å; E199-A203 WeakPolarHBondContact O-CB 3.31Å; E199-A203 PolarHBondContact O-N 2.96Å |
| 200 | V | 82.8 | Confident | 76.4 | Confident | 69 Ų | 69 | 74.4 Ų | 74.4 | 42% | 0.418 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.3 | -42.6 | 171.4 | 169.1 | 0 | 0 | 0 | 0 | 111.1 | S196 K202 A203 L204 | S196-V200 WeakPolarHBondContact O-CB 3.49Å; S196-V200 WeakPolarHBondContact O-CG2 3.4Å; S196-V200 PolarHBondContact O-N 3.24Å; V200-K202 PolarHBondContact O-N 3.43Å; V200-A203 PolarHBondContact O-N 3.04Å; V200-L204 HydrophobicContact CG1-CD1 3.94Å; V200-L204 HydrophobicContact CG1-CG 4.3Å; V200-L204 WeakPolarHBondContact O-CB 3.42Å; V200-L204 VanDerWaalsContact O-CG 3.3Å; V200-L204 WeakPolarHBondContact O-CG 3.3Å; V200-L204 PolarHBondContact O-N 3.2Å |
| 201 | L | 86.5 | Confident | 78.9 | Confident | 16 Ų | 16 | 70.6 Ų | 70.6 | 8% | 0.084 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -65.4 | -36.9 | 177 | -175.9 | 61.1 | 0 | 0 | 0 | 112.7 | V126 H129 E130 L133 E197 V198 E199 K205 | V126-L201 HydrophobicContact CG1-CD1 4.06Å; H129-L201 HydrophobicContact CB-CD1 3.92Å; E130-L201 HydrophobicContact CB-CD1 4.25Å; E130-L201 HydrophobicContact CB-CD2 3.94Å; E130-L201 HydrophobicContact CG-CD2 4.02Å; L133-L201 HydrophobicContact CD2-CD2 4.17Å; E197-L201 WeakPolarHBondContact O-CB 3.31Å; E197-L201 PolarHBondContact O-N 2.82Å; E197-L201 VanDerWaalsContact O-N 3.14Å; V198-L201 PolarHBondContact O-N 2.98Å; E199-L201 VanDerWaalsContact C-N 3.32Å; E199-L201 PolarHBondContact O-N 3.09Å; L201-K205 WeakPolarHBondContact O-CB 3.34Å; L201-K205 WeakPolarHBondContact O-CG 3.44Å; L201-K205 PolarHBondContact O-N 3.35Å |
| 202 | K | 88.1 | Confident | 81.3 | Confident | 149 Ų | 149 | 68.3 Ų | 68.3 | 65% | 0.648 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -63.5 | -47 | 172.5 | -75.6 | -179.2 | 177.1 | -176.1 | 0 | 111.4 | V198 E199 V200 L204 K205 S206 | V198-K202 WeakPolarHBondContact O-CG 3.5Å; V198-K202 PolarHBondContact O-N 2.92Å; E199-K202 PolarHBondContact O-N 3.24Å; V200-K202 PolarHBondContact O-N 3.43Å; K202-L204 PolarHBondContact O-N 2.98Å; K202-K205 PolarHBondContact O-N 3.46Å; K202-S206 PolarHBondContact O-N 2.93Å |
| 203 | A | 88.4 | Confident | 83.2 | Confident | 61 Ų | 61 | 67 Ų | 67 | 50% | 0.504 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61 | -43.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E199 V200 K205 S206 L207 | E199-A203 WeakPolarHBondContact O-CB 3.31Å; E199-A203 PolarHBondContact O-N 2.96Å; V200-A203 PolarHBondContact O-N 3.04Å; A203-K205 PolarHBondContact O-N 3.13Å; A203-S206 PolarHBondContact O-N 3.16Å; A203-L207 WeakPolarHBondContact O-CB 3.34Å; A203-L207 PolarHBondContact O-N 3.45Å |
| 204 | L | 91.6 | Very high | 84.8 | Confident | 23 Ų | 23 | 67.3 Ų | 67.3 | 12% | 0.12 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.7 | -39.1 | 176 | -72.1 | 174.5 | 0 | 0 | 0 | 112.8 | L125 V126 H129 V200 K202 L207 F208 | L125-L204 HydrophobicContact CD2-CD1 4.35Å; L125-L204 HydrophobicContact CD2-CD2 3.81Å; L125-L204 HydrophobicContact CG-CD1 4.21Å; L125-L204 HydrophobicContact CG-CD2 4.48Å; V126-L204 HydrophobicContact CG2-CB 3.77Å; H129-L204 HydrophobicContact CB-CD1 4.36Å; H129-L204 WeakPolarHBondContact ND1-CD1 3.29Å; V200-L204 HydrophobicContact CG1-CD1 3.94Å; V200-L204 HydrophobicContact CG1-CG 4.3Å; V200-L204 WeakPolarHBondContact O-CB 3.42Å; V200-L204 VanDerWaalsContact O-CG 3.3Å; V200-L204 WeakPolarHBondContact O-CG 3.3Å; V200-L204 PolarHBondContact O-N 3.2Å; K202-L204 PolarHBondContact O-N 2.98Å; L204-L207 PolarHBondContact O-N 2.86Å; L204-F208 WeakPolarHBondContact O-CB 3.36Å; L204-F208 PolarHBondContact O-N 2.92Å |
| 205 | K | 92.3 | Very high | 86.6 | Confident | 91 Ų | 91 | 67.2 Ų | 67.2 | 40% | 0.396 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -68.2 | -38.5 | 175.4 | -75.3 | -175.8 | 178.9 | -171 | 0 | 112.4 | V126 E130 L201 K202 A203 E209 | V126-K205 HydrophobicContact CG1-CD 4.19Å; V126-K205 VanDerWaalsContact CG1-CE 3.4Å; V126-K205 HydrophobicContact CG1-CG 3.65Å; V126-K205 HydrophobicContact CG2-CG 4.09Å; E130-K205 IonicContact OE2-NZ 2.72Å; E130-K205 PolarHBondContact OE2-NZ 3.16Å; L201-K205 WeakPolarHBondContact O-CB 3.34Å; L201-K205 WeakPolarHBondContact O-CG 3.44Å; L201-K205 PolarHBondContact O-N 3.35Å; K202-K205 PolarHBondContact O-N 3.46Å; A203-K205 PolarHBondContact O-N 3.13Å; K205-E209 PolarHBondContact O-N 2.96Å; K205-E209 VanDerWaalsContact O-N 3.12Å |
| 206 | S | 89.4 | Confident | 88.1 | Confident | 85 Ų | 85 | 71.5 Ų | 71.5 | 59% | 0.594 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -64.6 | -43.1 | 173 | 177.2 | 0 | 0 | 0 | 0 | 112.1 | K202 A203 F208 E209 H210 | K202-S206 PolarHBondContact O-N 2.93Å; A203-S206 PolarHBondContact O-N 3.16Å; S206-F208 PolarHBondContact O-N 3.47Å; S206-E209 PolarHBondContact O-N 2.86Å; S206-H210 PolarHBondContact O-N 3.12Å |
| 207 | L | 90.3 | Very high | 88.9 | Confident | 77 Ų | 77 | 73.9 Ų | 73.9 | 40% | 0.403 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62 | -41.8 | 176.9 | -174.7 | 65.8 | 0 | 0 | 0 | 112.2 | L122 A203 L204 H210 H211 | L122-L207 HydrophobicContact CD1-CG 4.34Å; L122-L207 HydrophobicContact CD2-CD2 3.87Å; L122-L207 HydrophobicContact CD2-CG 4.39Å; A203-L207 WeakPolarHBondContact O-CB 3.34Å; A203-L207 PolarHBondContact O-N 3.45Å; L204-L207 PolarHBondContact O-N 2.86Å; L207-H210 PolarHBondContact O-N 3.38Å; L207-H211 PolarHBondContact O-N 3.41Å; L207-H211 VanDerWaalsContact O-N 3.14Å; L207-H211 PolarHBondContact O-ND1 3.03Å |
| 208 | F | 93.9 | Very high | 90 | Very high | 47 Ų | 47 | 72.3 Ų | 72.3 | 21% | 0.206 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.5 | -50 | 174.5 | 174 | -96.7 | 0 | 0 | 0 | 111.9 | L119 L122 E123 L204 S206 H210 H211 K212 | L119-F208 HydrophobicContact CB-CE2 4.27Å; L119-F208 HydrophobicContact CD2-CD2 3.65Å; L119-F208 HydrophobicContact CD2-CE2 3.65Å; L119-F208 HydrophobicContact CD2-CG 4.34Å; L119-F208 HydrophobicContact CD2-CZ 4.34Å; L119-F208 WeakPolarHBondContact CD2-O 3.38Å; L122-F208 HydrophobicContact CB-CB 4.38Å; L122-F208 HydrophobicContact CB-CD2 3.9Å; E123-F208 HydrophobicContact CB-CD2 4.39Å; E123-F208 HydrophobicContact CB-CE2 3.82Å; E123-F208 HydrophobicContact CB-CZ 4.43Å; L204-F208 WeakPolarHBondContact O-CB 3.36Å; L204-F208 PolarHBondContact O-N 2.92Å; S206-F208 PolarHBondContact O-N 3.47Å; F208-H210 VanDerWaalsContact C-N 3.31Å; F208-H210 PolarHBondContact O-N 3.26Å; F208-H211 PolarHBondContact O-N 3.08Å; F208-H211 VanDerWaalsContact O-N 3.15Å; F208-K212 HydrophobicContact CE1-CD 4.26Å; F208-K212 PolarHBondContact O-N 3.46Å |
| 209 | E | 91.9 | Very high | 90.6 | Very high | 87 Ų | 87 | 73.2 Ų | 73.2 | 41% | 0.407 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65 | -35 | -179.1 | -165.1 | 62.1 | -151 | 0 | 0 | 111.9 | K205 S206 K212 V213 | K205-E209 PolarHBondContact O-N 2.96Å; K205-E209 VanDerWaalsContact O-N 3.12Å; S206-E209 PolarHBondContact O-N 2.86Å; E209-K212 WeakPolarHBondContact O-CB 3.38Å; E209-K212 PolarHBondContact O-N 3.5Å; E209-K212 IonicContact OE1-NZ 2.65Å; E209-K212 PolarHBondContact OE1-NZ 3.04Å; E209-K212 IonicContact OE2-NZ 3.26Å; E209-K212 PolarHBondContact OE2-NZ 3.47Å; E209-V213 WeakPolarHBondContact O-CG2 3.3Å; E209-V213 PolarHBondContact O-N 2.9Å; E209-V213 VanDerWaalsContact O-N 3.08Å |
| 210 | H | 90 | Very high | 91 | Very high | 111 Ų | 111 | 70.2 Ų | 70.2 | 51% | 0.514 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.2 | -44.7 | 171.5 | -177.8 | -95.7 | 0 | 0 | 0 | 112.6 | S206 L207 F208 K212 V213 L214 | S206-H210 PolarHBondContact O-N 3.12Å; L207-H210 PolarHBondContact O-N 3.38Å; F208-H210 VanDerWaalsContact C-N 3.31Å; F208-H210 PolarHBondContact O-N 3.26Å; H210-K212 VanDerWaalsContact C-N 3.29Å; H210-K212 PolarHBondContact O-N 3.23Å; H210-V213 PolarHBondContact O-N 2.78Å; H210-L214 WeakPolarHBondContact O-CG 3.19Å; H210-L214 PolarHBondContact O-N 3.07Å |
| 211 | H | 93 | Very high | 91.5 | Very high | 32 Ų | 32 | 74.8 Ų | 74.8 | 15% | 0.148 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -68.4 | -29.3 | 177.8 | -75.2 | 72.8 | 0 | 0 | 0 | 112.5 | M115 L118 L119 L122 L207 F208 L214 D215 | M115-H211 HydrophobicContact SD-CB 3.86Å; L118-H211 VanDerWaalsContact CD2-CD2 3.46Å; L118-H211 WeakPolarHBondContact CD2-CD2 3.47Å; L119-H211 HydrophobicContact CD2-CB 3.73Å; L119-H211 HydrophobicContact CG-CB 4.22Å; L122-H211 HydrophobicContact CD1-CB 4.37Å; L207-H211 PolarHBondContact O-N 3.41Å; L207-H211 VanDerWaalsContact O-N 3.14Å; L207-H211 PolarHBondContact O-ND1 3.03Å; F208-H211 PolarHBondContact O-N 3.08Å; F208-H211 VanDerWaalsContact O-N 3.15Å; H211-L214 WeakPolarHBondContact O-CB 3.43Å; H211-L214 PolarHBondContact O-N 3.12Å; H211-D215 PolarHBondContact O-N 3.2Å |
| 212 | K | 93.5 | Very high | 91.9 | Very high | 94 Ų | 94 | 74.6 Ų | 74.6 | 41% | 0.409 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68.1 | -40.4 | 174.9 | 175.4 | 173.1 | 158.3 | -121.3 | 0 | 111.7 | L119 F208 E209 H210 L214 D215 E216 | L119-K212 HydrophobicContact CD2-CB 4.09Å; F208-K212 HydrophobicContact CE1-CD 4.26Å; F208-K212 PolarHBondContact O-N 3.46Å; E209-K212 WeakPolarHBondContact O-CB 3.38Å; E209-K212 PolarHBondContact O-N 3.5Å; E209-K212 IonicContact OE1-NZ 2.65Å; E209-K212 PolarHBondContact OE1-NZ 3.04Å; E209-K212 IonicContact OE2-NZ 3.26Å; E209-K212 PolarHBondContact OE2-NZ 3.47Å; H210-K212 VanDerWaalsContact C-N 3.29Å; H210-K212 PolarHBondContact O-N 3.23Å; K212-L214 VanDerWaalsContact C-N 3.28Å; K212-L214 PolarHBondContact O-N 3.37Å; K212-D215 PolarHBondContact O-N 2.92Å; K212-E216 PolarHBondContact O-N 2.75Å |
| 213 | V | 92 | Very high | 92.1 | Very high | 60 Ų | 60 | 73.3 Ų | 73.3 | 36% | 0.364 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67.2 | -27.4 | 170.3 | 174 | 0 | 0 | 0 | 0 | 112.1 | E209 H210 K217 | E209-V213 WeakPolarHBondContact O-CG2 3.3Å; E209-V213 PolarHBondContact O-N 2.9Å; E209-V213 VanDerWaalsContact O-N 3.08Å; H210-V213 PolarHBondContact O-N 2.78Å; V213-K217 WeakPolarHBondContact O-CG 2.87Å; V213-K217 PolarHBondContact O-N 3.3Å |
| 214 | L | 89.2 | Confident | 92.4 | Very high | 54 Ų | 54 | 74.6 Ų | 74.6 | 28% | 0.283 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -72.2 | -43.6 | 171 | -69.3 | 175.6 | 0 | 0 | 0 | 112.5 | M115 H210 H211 K212 E216 K217 V218 | M115-L214 HydrophobicContact CE-CB 3.78Å; M115-L214 HydrophobicContact CE-CD1 4.14Å; M115-L214 HydrophobicContact SD-CB 4.14Å; H210-L214 WeakPolarHBondContact O-CG 3.19Å; H210-L214 PolarHBondContact O-N 3.07Å; H211-L214 WeakPolarHBondContact O-CB 3.43Å; H211-L214 PolarHBondContact O-N 3.12Å; K212-L214 VanDerWaalsContact C-N 3.28Å; K212-L214 PolarHBondContact O-N 3.37Å; L214-E216 VanDerWaalsContact C-N 3.27Å; L214-E216 PolarHBondContact O-N 2.95Å; L214-K217 PolarHBondContact O-N 3.27Å; L214-K217 VanDerWaalsContact O-N 3.08Å; L214-V218 WeakPolarHBondContact O-CG2 3.05Å; L214-V218 PolarHBondContact O-N 2.87Å |
| 215 | D | 93.6 | Very high | 92.4 | Very high | 25 Ų | 25 | 73.9 Ų | 73.9 | 13% | 0.134 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -56.9 | -42.2 | 174.9 | -168.8 | 80.3 | 0 | 0 | 0 | 111.5 | R112 M115 L119 H211 K212 K217 V218 H219 | R112-D215 WeakPolarHBondContact CG-OD1 3.22Å; R112-D215 IonicContact CZ-OD2 2.69Å; R112-D215 IonicContact NE-OD1 2.85Å; R112-D215 IonicContact NE-OD2 3.17Å; R112-D215 PolarHBondContact NE-OD2 2.79Å; R112-D215 IonicContact NH2-OD2 2.71Å; R112-D215 PolarHBondContact NH2-OD2 2.87Å; M115-D215 HydrophobicContact CG-CB 3.77Å; L119-D215 HydrophobicContact CD1-CB 4.05Å; H211-D215 PolarHBondContact O-N 3.2Å; K212-D215 PolarHBondContact O-N 2.92Å; D215-K217 VanDerWaalsContact C-N 3.32Å; D215-K217 PolarHBondContact O-N 3.42Å; D215-V218 PolarHBondContact O-N 3.37Å; D215-H219 VanDerWaalsContact O-CB 3.22Å; D215-H219 WeakPolarHBondContact O-CB 3.49Å; D215-H219 PolarHBondContact O-N 3.3Å |
| 216 | E | 92.5 | Very high | 92.4 | Very high | 120 Ų | 120 | 73 Ų | 73 | 56% | 0.561 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -64.2 | -34.7 | 177.5 | -170.4 | 175.3 | -175.8 | 0 | 0 | 112.7 | K212 L214 N220 | K212-E216 PolarHBondContact O-N 2.75Å; L214-E216 VanDerWaalsContact C-N 3.27Å; L214-E216 PolarHBondContact O-N 2.95Å; E216-N220 WeakPolarHBondContact O-CB 3.38Å; E216-N220 PolarHBondContact O-N 3.32Å; E216-N220 PolarHBondContact O-ND2 2.98Å |
| 217 | K | 92.4 | Very high | 92.6 | Very high | 130 Ų | 130 | 73 Ų | 73 | 57% | 0.565 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -70.9 | -44 | 174.3 | -74.5 | 170.9 | -179.7 | 176.5 | 0 | 112.1 | V213 L214 D215 N220 R221 | V213-K217 WeakPolarHBondContact O-CG 2.87Å; V213-K217 PolarHBondContact O-N 3.3Å; L214-K217 PolarHBondContact O-N 3.27Å; L214-K217 VanDerWaalsContact O-N 3.08Å; D215-K217 VanDerWaalsContact C-N 3.32Å; D215-K217 PolarHBondContact O-N 3.42Å; K217-N220 PolarHBondContact O-N 3.39Å; K217-R221 PolarHBondContact O-N 2.99Å |
| 218 | V | 94.8 | Very high | 92.6 | Very high | 8 Ų | 8 | 73 Ų | 73 | 5% | 0.048 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 175.5 | 176.8 | 0 | 0 | 0 | 0 | 110.3 | L108 E111 R112 L214 D215 N220 R221 L222 | L108-V218 HydrophobicContact CD2-CG1 4.2Å; E111-V218 HydrophobicContact CB-CG1 4.16Å; E111-V218 HydrophobicContact CG-CG1 4.13Å; E111-V218 HydrophobicContact CG-CG2 4.06Å; R112-V218 HydrophobicContact CB-CG1 3.95Å; L214-V218 WeakPolarHBondContact O-CG2 3.05Å; L214-V218 PolarHBondContact O-N 2.87Å; D215-V218 PolarHBondContact O-N 3.37Å; V218-N220 PolarHBondContact O-N 2.92Å; V218-R221 PolarHBondContact O-N 3.3Å; V218-L222 WeakPolarHBondContact O-CB 3.47Å; V218-L222 PolarHBondContact O-N 2.87Å |
| 219 | H | 92.3 | Very high | 92.6 | Very high | 73 Ų | 73 | 71.5 Ų | 71.5 | 34% | 0.338 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.1 | -42 | 175.3 | -177.2 | 17.5 | 0 | 0 | 0 | 112.5 | R112 D215 L222 R223 | R112-H219 VanDerWaalsContact CZ-CG 3.44Å; R112-H219 PolarHBondContact NH1-CE1 3.37Å; R112-H219 PolarHBondContact NH1-ND1 3.32Å; R112-H219 PolarHBondContact NH2-CD2 2.96Å; D215-H219 VanDerWaalsContact O-CB 3.22Å; D215-H219 WeakPolarHBondContact O-CB 3.49Å; D215-H219 PolarHBondContact O-N 3.3Å; H219-L222 PolarHBondContact O-N 3.44Å; H219-R223 WeakPolarHBondContact O-CB 3.42Å; H219-R223 PolarHBondContact O-N 2.78Å |
| 220 | N | 93.1 | Very high | 92.4 | Very high | 63 Ų | 63 | 70 Ų | 70 | 34% | 0.337 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -68.3 | -36.1 | 176.2 | -87.3 | -69.7 | 0 | 0 | 0 | 112.7 | E216 K217 V218 R223 V224 | E216-N220 WeakPolarHBondContact O-CB 3.38Å; E216-N220 PolarHBondContact O-N 3.32Å; E216-N220 PolarHBondContact O-ND2 2.98Å; K217-N220 PolarHBondContact O-N 3.39Å; V218-N220 PolarHBondContact O-N 2.92Å; N220-R223 PolarHBondContact O-N 3.49Å; N220-R223 PolarHBondContact OD1-NH2 2.92Å; N220-R223 VanDerWaalsContact OD1-NH2 3.1Å; N220-V224 WeakPolarHBondContact O-CG2 3.24Å; N220-V224 PolarHBondContact O-N 2.82Å |
| 221 | R | 93.7 | Very high | 92.5 | Very high | 164 Ų | 164 | 69.3 Ų | 69.3 | 62% | 0.619 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -60.3 | -54.1 | 170.1 | -77.9 | -179.5 | 169.1 | -178.5 | -5.6 | 111.2 | L108 K217 V218 R223 V224 S225 | L108-R221 HydrophobicContact CD1-CB 4.16Å; L108-R221 HydrophobicContact CD2-CB 4.02Å; K217-R221 PolarHBondContact O-N 2.99Å; V218-R221 PolarHBondContact O-N 3.3Å; R221-R223 PolarHBondContact O-N 3.2Å; R221-V224 WeakPolarHBondContact O-CA 3.43Å; R221-V224 WeakPolarHBondContact O-CB 3.47Å; R221-V224 PolarHBondContact O-N 2.93Å; R221-S225 PolarHBondContact O-N 2.68Å; R221-S225 PolarHBondContact O-OG 3.29Å |
| 222 | L | 94.3 | Very high | 92.4 | Very high | 12 Ų | 12 | 67.8 Ų | 67.8 | 6% | 0.063 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -51.1 | -44.3 | 178 | 177.5 | 59.2 | 0 | 0 | 0 | 111.9 | I105 L108 K109 V218 H219 V224 S225 Q226 | I105-L222 HydrophobicContact CB-CD1 4.34Å; I105-L222 HydrophobicContact CG1-CD1 4.33Å; I105-L222 HydrophobicContact CG2-CD1 3.95Å; L108-L222 HydrophobicContact CB-CB 4.17Å; L108-L222 HydrophobicContact CB-CD1 4.02Å; K109-L222 HydrophobicContact CG-CD1 4.07Å; K109-L222 HydrophobicContact CG-CD2 4.18Å; V218-L222 WeakPolarHBondContact O-CB 3.47Å; V218-L222 PolarHBondContact O-N 2.87Å; H219-L222 PolarHBondContact O-N 3.44Å; L222-V224 VanDerWaalsContact C-N 3.35Å; L222-V224 PolarHBondContact O-N 3.13Å; L222-S225 PolarHBondContact O-N 3.26Å; L222-Q226 HydrophobicContact CD1-CG 4.19Å; L222-Q226 WeakPolarHBondContact O-CB 3.13Å; L222-Q226 VanDerWaalsContact O-CG 3.26Å; L222-Q226 WeakPolarHBondContact O-CG 3.45Å; L222-Q226 PolarHBondContact O-N 2.98Å |
| 223 | R | 92.4 | Very high | 92.1 | Very high | 122 Ų | 122 | 68.2 Ų | 68.2 | 46% | 0.46 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64 | -34.3 | 176.8 | -172.4 | 177 | 64.6 | 82.8 | -0.2 | 113.5 | H219 N220 R221 N227 | H219-R223 WeakPolarHBondContact O-CB 3.42Å; H219-R223 PolarHBondContact O-N 2.78Å; N220-R223 PolarHBondContact O-N 3.49Å; N220-R223 PolarHBondContact OD1-NH2 2.92Å; N220-R223 VanDerWaalsContact OD1-NH2 3.1Å; R221-R223 PolarHBondContact O-N 3.2Å; R223-N227 VanDerWaalsContact O-CG 3.26Å; R223-N227 PolarHBondContact O-N 3.45Å; R223-N227 PolarHBondContact O-OD1 3.22Å |
| 224 | V | 93.4 | Very high | 91.9 | Very high | 88 Ų | 88 | 70.5 Ų | 70.5 | 53% | 0.533 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -72.3 | -45.1 | 175.8 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | N220 R221 L222 N227 K228 | N220-V224 WeakPolarHBondContact O-CG2 3.24Å; N220-V224 PolarHBondContact O-N 2.82Å; R221-V224 WeakPolarHBondContact O-CA 3.43Å; R221-V224 WeakPolarHBondContact O-CB 3.47Å; R221-V224 PolarHBondContact O-N 2.93Å; L222-V224 VanDerWaalsContact C-N 3.35Å; L222-V224 PolarHBondContact O-N 3.13Å; V224-N227 PolarHBondContact O-N 3.39Å; V224-K228 PolarHBondContact O-N 3.2Å |
| 225 | S | 92.4 | Very high | 91.9 | Very high | 8 Ų | 8 | 72.5 Ų | 72.5 | 6% | 0.056 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.3 | -39.6 | 179.9 | -46.1 | 0 | 0 | 0 | 0 | 111.6 | E104 R221 L222 N227 K228 V229 | E104-S225 WeakPolarHBondContact OE1-CB 3.34Å; E104-S225 PolarHBondContact OE1-OG 3.4Å; R221-S225 PolarHBondContact O-N 2.68Å; R221-S225 PolarHBondContact O-OG 3.29Å; L222-S225 PolarHBondContact O-N 3.26Å; S225-N227 PolarHBondContact O-N 2.94Å; S225-K228 PolarHBondContact O-N 3.1Å; S225-K228 VanDerWaalsContact O-N 3.15Å; S225-V229 PolarHBondContact O-N 3.45Å |
| 226 | Q | 93.4 | Very high | 91.5 | Very high | 72 Ų | 72 | 72.1 Ų | 72.1 | 34% | 0.336 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58 | -45.4 | 171.2 | -76 | -178.3 | -74.3 | 0 | 0 | 112.7 | I105 L222 K228 V229 T230 | I105-Q226 HydrophobicContact CD1-CB 4.4Å; I105-Q226 HydrophobicContact CD1-CG 3.94Å; I105-Q226 HydrophobicContact CG1-CG 4.18Å; I105-Q226 HydrophobicContact CG2-CG 4.45Å; L222-Q226 HydrophobicContact CD1-CG 4.19Å; L222-Q226 WeakPolarHBondContact O-CB 3.13Å; L222-Q226 VanDerWaalsContact O-CG 3.26Å; L222-Q226 WeakPolarHBondContact O-CG 3.45Å; L222-Q226 PolarHBondContact O-N 2.98Å; Q226-K228 VanDerWaalsContact C-N 3.32Å; Q226-K228 PolarHBondContact O-N 3.45Å; Q226-V229 PolarHBondContact O-N 3.27Å; Q226-T230 PolarHBondContact O-N 3Å |
| 227 | N | 91.9 | Very high | 90.9 | Very high | 87 Ų | 87 | 72.8 Ų | 72.8 | 47% | 0.465 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.6 | -40.9 | 174.5 | -72.2 | -2.3 | 0 | 0 | 0 | 111.6 | R223 V224 S225 V229 T230 D231 | R223-N227 VanDerWaalsContact O-CG 3.26Å; R223-N227 PolarHBondContact O-N 3.45Å; R223-N227 PolarHBondContact O-OD1 3.22Å; V224-N227 PolarHBondContact O-N 3.39Å; S225-N227 PolarHBondContact O-N 2.94Å; N227-V229 VanDerWaalsContact C-N 3.31Å; N227-V229 PolarHBondContact O-N 3.44Å; N227-T230 PolarHBondContact O-N 3.43Å; N227-T230 PolarHBondContact O-OG1 2.97Å; N227-D231 PolarHBondContact O-N 3.21Å |
| 228 | K | 91.5 | Very high | 90.4 | Very high | 76 Ų | 76 | 70.9 Ų | 70.9 | 33% | 0.33 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -69 | -28.4 | -180 | -177.2 | 54.8 | -169.9 | 153.8 | 0 | 113 | R101 V224 S225 Q226 D231 L232 | R101-K228 HydrophobicContact CG-CG 4.41Å; V224-K228 PolarHBondContact O-N 3.2Å; S225-K228 PolarHBondContact O-N 3.1Å; S225-K228 VanDerWaalsContact O-N 3.15Å; Q226-K228 VanDerWaalsContact C-N 3.32Å; Q226-K228 PolarHBondContact O-N 3.45Å; K228-D231 HydrophobicContact CD-CB 4.29Å; K228-L232 HydrophobicContact CD-CG 4.39Å; K228-L232 HydrophobicContact CG-CD1 4.35Å; K228-L232 WeakPolarHBondContact O-CG 3.32Å; K228-L232 PolarHBondContact O-N 3.25Å; K228-L232 VanDerWaalsContact O-N 3.12Å |
| 229 | V | 92.7 | Very high | 89.7 | Confident | 15 Ų | 15 | 71.8 Ų | 71.8 | 9% | 0.091 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.1 | -50.8 | 167.9 | 160 | 0 | 0 | 0 | 0 | 110.6 | L98 R101 I105 S225 Q226 N227 D231 L232 E233 | L98-V229 HydrophobicContact CD1-CB 4.38Å; L98-V229 HydrophobicContact CD1-CG1 3.92Å; L98-V229 HydrophobicContact CD1-CG2 4.27Å; R101-V229 HydrophobicContact CB-CG2 3.55Å; I105-V229 HydrophobicContact CD1-CB 4.12Å; I105-V229 HydrophobicContact CD1-CG2 3.45Å; I105-V229 VanDerWaalsContact CD1-CG2 3.45Å; S225-V229 PolarHBondContact O-N 3.45Å; Q226-V229 PolarHBondContact O-N 3.27Å; N227-V229 VanDerWaalsContact C-N 3.31Å; N227-V229 PolarHBondContact O-N 3.44Å; V229-D231 VanDerWaalsContact C-N 3.28Å; V229-D231 PolarHBondContact O-N 3.05Å; V229-L232 PolarHBondContact O-N 3.09Å; V229-E233 HydrophobicContact CG1-CG 4.28Å; V229-E233 WeakPolarHBondContact O-CG 3.4Å; V229-E233 PolarHBondContact O-N 3.29Å |
| 230 | T | 89.3 | Confident | 89.1 | Confident | 57 Ų | 57 | 72.5 Ų | 72.5 | 35% | 0.35 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.8 | -31.4 | -178.6 | 64.7 | 0 | 0 | 0 | 0 | 112.6 | Q226 N227 N234 | Q226-T230 PolarHBondContact O-N 3Å; N227-T230 PolarHBondContact O-N 3.43Å; N227-T230 PolarHBondContact O-OG1 2.97Å; T230-N234 PolarHBondContact O-N 3.42Å; T230-N234 PolarHBondContact O-ND2 3.27Å |
| 231 | D | 91.4 | Very high | 88.2 | Confident | 95 Ų | 95 | 76 Ų | 76 | 51% | 0.508 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.6 | -47.1 | 169 | -71.1 | -31 | 0 | 0 | 0 | 112.2 | N227 K228 V229 N234 E235 | N227-D231 PolarHBondContact O-N 3.21Å; K228-D231 HydrophobicContact CD-CB 4.29Å; V229-D231 VanDerWaalsContact C-N 3.28Å; V229-D231 PolarHBondContact O-N 3.05Å; D231-N234 PolarHBondContact O-N 2.97Å; D231-E235 PolarHBondContact O-N 3.35Å |
| 232 | L | 90.8 | Very high | 87 | Confident | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68.1 | -35.5 | -178.9 | -72.9 | 169 | 0 | 0 | 0 | 112.5 | V94 Q97 L98 R101 K228 V229 N234 E235 L236 | V94-L232 HydrophobicContact CG1-CD2 4.29Å; Q97-L232 HydrophobicContact CB-CD1 4.17Å; Q97-L232 HydrophobicContact CB-CD2 4.37Å; L98-L232 HydrophobicContact CD1-CB 4.05Å; R101-L232 HydrophobicContact CG-CD1 3.87Å; K228-L232 HydrophobicContact CD-CG 4.39Å; K228-L232 HydrophobicContact CG-CD1 4.35Å; K228-L232 WeakPolarHBondContact O-CG 3.32Å; K228-L232 PolarHBondContact O-N 3.25Å; K228-L232 VanDerWaalsContact O-N 3.12Å; V229-L232 PolarHBondContact O-N 3.09Å; L232-N234 VanDerWaalsContact C-N 3.33Å; L232-E235 PolarHBondContact O-N 3.33Å; L232-L236 WeakPolarHBondContact O-CB 3.47Å; L232-L236 PolarHBondContact O-N 3.41Å |
| 233 | E | 87.5 | Confident | 85.6 | Confident | 103 Ų | 103 | 72.7 Ų | 72.7 | 48% | 0.481 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.7 | -40 | 173.7 | -70.1 | -177.1 | 127.2 | 0 | 0 | 112 | L98 V229 L236 F237 | L98-E233 HydrophobicContact CD1-CG 3.86Å; L98-E233 HydrophobicContact CD2-CG 4.22Å; V229-E233 HydrophobicContact CG1-CG 4.28Å; V229-E233 WeakPolarHBondContact O-CG 3.4Å; V229-E233 PolarHBondContact O-N 3.29Å; E233-L236 PolarHBondContact O-N 3.36Å; E233-F237 WeakPolarHBondContact O-CB 3.32Å; E233-F237 PolarHBondContact O-N 2.94Å |
| 234 | N | 87 | Confident | 83.9 | Confident | 107 Ų | 107 | 72 Ų | 72 | 57% | 0.572 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -67.5 | -41.7 | 175.5 | -78 | -64.2 | 0 | 0 | 0 | 112.1 | T230 D231 L232 F237 E238 | T230-N234 PolarHBondContact O-N 3.42Å; T230-N234 PolarHBondContact O-ND2 3.27Å; D231-N234 PolarHBondContact O-N 2.97Å; L232-N234 VanDerWaalsContact C-N 3.33Å; N234-F237 PolarHBondContact O-N 3.3Å; N234-E238 PolarHBondContact O-N 2.62Å |
| 235 | E | 89.5 | Confident | 81.8 | Confident | 97 Ų | 97 | 72.8 Ų | 72.8 | 45% | 0.453 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.5 | -44.3 | 173.7 | -176.3 | 170.1 | -175.3 | 0 | 0 | 111.5 | V94 D231 L232 F237 E238 L239 | V94-E235 HydrophobicContact CG2-CG 4.38Å; D231-E235 PolarHBondContact O-N 3.35Å; L232-E235 PolarHBondContact O-N 3.33Å; E235-F237 VanDerWaalsContact C-N 3.29Å; E235-F237 PolarHBondContact O-N 2.67Å; E235-E238 PolarHBondContact O-N 3.27Å; E235-L239 HydrophobicContact CG-CD1 4.28Å; E235-L239 WeakPolarHBondContact O-CG 3.19Å; E235-L239 PolarHBondContact O-N 2.89Å |
| 236 | L | 84.4 | Confident | 79.9 | Confident | 16 Ų | 16 | 74.5 Ų | 74.5 | 8% | 0.084 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.9 | -37.8 | 176.7 | -173 | 64.1 | 0 | 0 | 0 | 112.3 | L91 V94 E95 L98 L232 E233 L239 K240 | L91-L236 HydrophobicContact CD1-CD1 3.61Å; L91-L236 HydrophobicContact CG-CD1 4.43Å; V94-L236 HydrophobicContact CB-CD1 4.38Å; V94-L236 HydrophobicContact CG1-CB 3.93Å; V94-L236 HydrophobicContact CG1-CD1 4.09Å; E95-L236 HydrophobicContact CG-CD1 3.46Å; E95-L236 VanDerWaalsContact CG-CD1 3.46Å; E95-L236 HydrophobicContact CG-CD2 4.05Å; E95-L236 HydrophobicContact CG-CG 4.41Å; L98-L236 HydrophobicContact CD2-CD2 3.81Å; L232-L236 WeakPolarHBondContact O-CB 3.47Å; L232-L236 PolarHBondContact O-N 3.41Å; E233-L236 PolarHBondContact O-N 3.36Å; L236-L239 PolarHBondContact O-N 3.36Å; L236-K240 HydrophobicContact CD1-CD 4.43Å; L236-K240 HydrophobicContact CG-CD 4.15Å; L236-K240 WeakPolarHBondContact O-CB 3.18Å; L236-K240 VanDerWaalsContact O-CG 3.29Å; L236-K240 WeakPolarHBondContact O-CG 3.37Å; L236-K240 PolarHBondContact O-N 3.32Å |
| 237 | F | 81.2 | Confident | 77.6 | Confident | 135 Ų | 135 | 75.5 Ų | 75.5 | 59% | 0.592 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63 | -47 | 176.6 | -176.1 | -96.4 | 0 | 0 | 0 | 111.9 | E233 N234 E235 K240 R241 | E233-F237 WeakPolarHBondContact O-CB 3.32Å; E233-F237 PolarHBondContact O-N 2.94Å; N234-F237 PolarHBondContact O-N 3.3Å; E235-F237 VanDerWaalsContact C-N 3.29Å; E235-F237 PolarHBondContact O-N 2.67Å; F237-K240 PolarHBondContact O-N 2.84Å; F237-R241 VanDerWaalsContact O-CB 3.29Å; F237-R241 WeakPolarHBondContact O-CB 3.41Å; F237-R241 PolarHBondContact O-N 3.39Å |
| 238 | E | 81.6 | Confident | 75.1 | Confident | 89 Ų | 89 | 75.6 Ų | 75.6 | 42% | 0.416 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -71.5 | -31.2 | 177.9 | -71.7 | -62.2 | 141.3 | 0 | 0 | 113 | N234 E235 R241 S242 | N234-E238 PolarHBondContact O-N 2.62Å; E235-E238 PolarHBondContact O-N 3.27Å; E238-R241 PolarHBondContact O-N 2.75Å; E238-R241 WeakPolarHBondContact OE1-CD 3.28Å; E238-R241 IonicContact OE1-CZ 3.37Å; E238-R241 IonicContact OE1-NE 3.7Å; E238-R241 IonicContact OE1-NH1 3.3Å; E238-R241 PolarHBondContact OE1-NH1 3.01Å; E238-R241 WeakPolarHBondContact OE2-CD 3.49Å; E238-R241 IonicContact OE2-CZ 2.75Å; E238-R241 IonicContact OE2-NE 3.81Å; E238-R241 IonicContact OE2-NH1 2.72Å; E238-R241 PolarHBondContact OE2-NH1 3.21Å; E238-S242 WeakPolarHBondContact O-CB 3.31Å; E238-S242 PolarHBondContact O-N 2.88Å; E238-S242 PolarHBondContact O-OG 3.03Å |
| 239 | L | 79.4 | Confident | 72.4 | Confident | 27 Ų | 27 | 77.4 Ų | 77.4 | 14% | 0.141 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -65.2 | -42.3 | 169.5 | -74.7 | 174.6 | 0 | 0 | 0 | 112.4 | M87 L91 V94 E235 L236 S242 K243 | M87-L239 HydrophobicContact CE-CD2 4.02Å; L91-L239 HydrophobicContact CD1-CB 4.06Å; V94-L239 HydrophobicContact CB-CD1 4.17Å; V94-L239 HydrophobicContact CG2-CD1 3.68Å; E235-L239 HydrophobicContact CG-CD1 4.28Å; E235-L239 WeakPolarHBondContact O-CG 3.19Å; E235-L239 PolarHBondContact O-N 2.89Å; L236-L239 PolarHBondContact O-N 3.36Å; L239-S242 WeakPolarHBondContact CA-OG 3.32Å; L239-S242 PolarHBondContact O-OG 3.18Å; L239-S242 VanDerWaalsContact O-OG 3.06Å; L239-K243 WeakPolarHBondContact O-CB 3.49Å; L239-K243 PolarHBondContact O-N 3.45Å; L239-K243 VanDerWaalsContact O-N 3.17Å |
| 240 | K | 79.5 | Confident | 69.6 | Low | 89 Ų | 89 | 81 Ų | 81 | 39% | 0.387 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -66 | -39 | 175.2 | -73 | 175.3 | 179.9 | 172 | 0 | 111.5 | L91 E95 L236 F237 I244 | L91-K240 HydrophobicContact CD1-CD 4.36Å; L91-K240 HydrophobicContact CD1-CG 3.56Å; E95-K240 WeakPolarHBondContact OE1-CE 3.48Å; E95-K240 IonicContact OE1-NZ 2.93Å; E95-K240 PolarHBondContact OE1-NZ 3.12Å; L236-K240 HydrophobicContact CD1-CD 4.43Å; L236-K240 HydrophobicContact CG-CD 4.15Å; L236-K240 WeakPolarHBondContact O-CB 3.18Å; L236-K240 VanDerWaalsContact O-CG 3.29Å; L236-K240 WeakPolarHBondContact O-CG 3.37Å; L236-K240 PolarHBondContact O-N 3.32Å; F237-K240 PolarHBondContact O-N 2.84Å; K240-I244 WeakPolarHBondContact O-CG1 3.48Å |
| 241 | R | 74.4 | Confident | 66.8 | Low | 136 Ų | 136 | 85.9 Ų | 85.9 | 51% | 0.513 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.8 | -46 | 176.8 | -176 | 178.3 | 173.8 | -144.2 | 4.7 | 112.9 | F237 E238 I244 | F237-R241 VanDerWaalsContact O-CB 3.29Å; F237-R241 WeakPolarHBondContact O-CB 3.41Å; F237-R241 PolarHBondContact O-N 3.39Å; E238-R241 PolarHBondContact O-N 2.75Å; E238-R241 WeakPolarHBondContact OE1-CD 3.28Å; E238-R241 IonicContact OE1-CZ 3.37Å; E238-R241 IonicContact OE1-NE 3.7Å; E238-R241 IonicContact OE1-NH1 3.3Å; E238-R241 PolarHBondContact OE1-NH1 3.01Å; E238-R241 WeakPolarHBondContact OE2-CD 3.49Å; E238-R241 IonicContact OE2-CZ 2.75Å; E238-R241 IonicContact OE2-NE 3.81Å; E238-R241 IonicContact OE2-NH1 2.72Å; E238-R241 PolarHBondContact OE2-NH1 3.21Å; R241-I244 PolarHBondContact O-N 2.96Å |
| 242 | S | 68.5 | Low | 63.7 | Low | 47 Ų | 47 | 89 Ų | 89 | 33% | 0.329 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.3 | -37.3 | 179.1 | 50.4 | 0 | 0 | 0 | 0 | 112.7 | M87 E238 L239 I244 N245 S246 | M87-S242 VanDerWaalsContact CE-OG 3.31Å; M87-S242 WeakPolarHBondContact CE-OG 3.45Å; E238-S242 WeakPolarHBondContact O-CB 3.31Å; E238-S242 PolarHBondContact O-N 2.88Å; E238-S242 PolarHBondContact O-OG 3.03Å; L239-S242 WeakPolarHBondContact CA-OG 3.32Å; L239-S242 PolarHBondContact O-OG 3.18Å; L239-S242 VanDerWaalsContact O-OG 3.06Å; S242-I244 PolarHBondContact O-N 3.4Å; S242-N245 PolarHBondContact O-N 3.5Å; S242-N245 VanDerWaalsContact O-N 3.12Å; S242-S246 PolarHBondContact O-N 3.1Å |
| 243 | K | 64.9 | Low | 60.6 | Low | 60 Ų | 60 | 94.3 Ų | 94.3 | 26% | 0.261 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.8 | -24.6 | 174.3 | -170.8 | 171.7 | -173.8 | 169.7 | 0 | 114.3 | M87 S88 L91 L239 S246 | M87-K243 HydrophobicContact CE-CB 4.42Å; S88-K243 PolarHBondContact OG-NZ 2.89Å; L91-K243 HydrophobicContact CD2-CD 4.25Å; L239-K243 WeakPolarHBondContact O-CB 3.49Å; L239-K243 PolarHBondContact O-N 3.45Å; L239-K243 VanDerWaalsContact O-N 3.17Å; K243-S246 PolarHBondContact O-OG 3.29Å |
| 244 | I | 57.4 | Low | 57.7 | Low | 108 Ų | 108 | 95.4 Ų | 95.4 | 55% | 0.554 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -75.6 | -41.5 | 173.6 | -66.5 | 165.9 | 0 | 0 | 0 | 110.5 | K240 R241 S242 S246 S247 S248 | K240-I244 WeakPolarHBondContact O-CG1 3.48Å; R241-I244 PolarHBondContact O-N 2.96Å; S242-I244 PolarHBondContact O-N 3.4Å; I244-S246 PolarHBondContact O-N 3.48Å; I244-S247 PolarHBondContact O-N 2.86Å; I244-S247 PolarHBondContact O-OG 3.38Å; I244-S248 PolarHBondContact O-OG 3.16Å |
| 245 | N | 49.9 | Very low | 55 | Low | 103 Ų | 103 | 96.7 Ų | 96.7 | 55% | 0.551 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.6 | -41.7 | -175.6 | -68.8 | -20 | 0 | 0 | 0 | 112.7 | S242 S247 S248 | S242-N245 PolarHBondContact O-N 3.5Å; S242-N245 VanDerWaalsContact O-N 3.12Å; N245-S247 VanDerWaalsContact C-N 3.27Å; N245-S247 PolarHBondContact O-N 3.31Å; N245-S248 PolarHBondContact O-N 2.99Å; N245-S248 VanDerWaalsContact O-N 3.15Å |
| 246 | S | 51.8 | Low | 52.1 | Low | 45 Ų | 45 | 99.5 Ų | 99.5 | 32% | 0.315 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.7 | -33.3 | 177.5 | 53.2 | 0 | 0 | 0 | 0 | 113 | S242 K243 I244 S248 T249 | S242-S246 PolarHBondContact O-N 3.1Å; K243-S246 PolarHBondContact O-OG 3.29Å; I244-S246 PolarHBondContact O-N 3.48Å; S246-S248 PolarHBondContact O-N 3.08Å; S246-T249 PolarHBondContact O-OG1 2.96Å |
| 247 | S | 44.2 | Very low | 49.4 | Very low | 92 Ų | 92 | 106.2 Ų | 106.2 | 64% | 0.643 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -14 | 177.7 | 75.7 | 0 | 0 | 0 | 0 | 114.6 | I244 N245 | I244-S247 PolarHBondContact O-N 2.86Å; I244-S247 PolarHBondContact O-OG 3.38Å; N245-S247 VanDerWaalsContact C-N 3.27Å; N245-S247 PolarHBondContact O-N 3.31Å |
| 248 | S | 39.8 | Very low | 46.9 | Very low | 89 Ų | 89 | 107.5 Ų | 107.5 | 62% | 0.622 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | -11.3 | -169.7 | -62 | 0 | 0 | 0 | 0 | 114.9 | I244 N245 S246 | I244-S248 PolarHBondContact O-OG 3.16Å; N245-S248 PolarHBondContact O-N 2.99Å; N245-S248 VanDerWaalsContact O-N 3.15Å; S246-S248 PolarHBondContact O-N 3.08Å |
| 249 | T | 36.1 | Very low | 44.2 | Very low | 114 Ų | 114 | 111.7 Ų | 111.7 | 70% | 0.699 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -96.6 | -9.7 | -171.3 | 46 | 0 | 0 | 0 | 0 | 115.3 | S246 N251 | S246-T249 PolarHBondContact O-OG1 2.96Å; T249-N251 VanDerWaalsContact C-N 3.29Å; T249-N251 PolarHBondContact O-N 2.79Å; T249-N251 VanDerWaalsContact O-N 3.15Å |
| 250 | A | 34 | Very low | 41.7 | Very low | 92 Ų | 92 | 121.8 Ų | 121.8 | 76% | 0.76 | 65% | 0.652 | S | S | * | * | trans | -81.8 | 17.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 251 | N | 29.3 | Very low | 39.2 | Very low | 158 Ų | 158 | 122.3 Ų | 122.3 | 85% | 0.845 | 66% | 0.662 | S | S | * | * | trans | -123.1 | 32.6 | -171.7 | -99.7 | -30.3 | 0 | 0 | 0 | 114.6 | T249 | T249-N251 VanDerWaalsContact C-N 3.29Å; T249-N251 PolarHBondContact O-N 2.79Å; T249-N251 VanDerWaalsContact O-N 3.15Å | ||
| 252 | I | 26.6 | Very low | 36.8 | Very low | 160 Ų | 160 | 120.9 Ų | 120.9 | 82% | 0.821 | 66% | 0.663 | S | S | * | * | trans | -131.8 | 87 | 169.7 | -53.6 | 179.8 | 0 | 0 | 0 | 110.1 | ||||
| 253 | C | 25.7 | Very low | 34.9 | Very low | 114 Ų | 114 | 127 Ų | 127 | 77% | 0.77 | 69% | 0.69 | S | S | * | * | trans | -167.7 | 134 | 141 | -115.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 254 | N | 27.6 | Very low | 33.1 | Very low | 126 Ų | 126 | 128.2 Ų | 128.2 | 67% | 0.674 | 71% | 0.706 | S | S | * | * | trans | 78.1 | 135.8 | 141.1 | -81.5 | 47.8 | 0 | 0 | 0 | 125.6 | ||||
| 255 | D | 28.8 | Very low | 31.6 | Very low | 133 Ų | 133 | 127.9 Ų | 127.9 | 71% | 0.711 | 71% | 0.713 | S | S | * | * | trans | 76.2 | 66.9 | 141.7 | -54.2 | -24.6 | 0 | 0 | 0 | 121 | N257 | D255-N257 PolarHBondContact O-N 3.11Š| ||
| 256 | N | 28.1 | Very low | 30.5 | Very low | 157 Ų | 157 | 131.2 Ų | 131.2 | 84% | 0.84 | 73% | 0.726 | S | S | * | * | trans | -58.4 | 109 | 152.7 | -54.3 | -88.7 | 0 | 0 | 0 | 112.1 | ||||
| 257 | N | 27.9 | Very low | 29.4 | Very low | 156 Ų | 156 | 135.3 Ų | 135.3 | 83% | 0.834 | 75% | 0.749 | S | S | * | * | trans | -175.4 | 108.5 | 136.6 | -101.3 | -38.2 | 0 | 0 | 0 | 113.4 | D255 | D255-N257 PolarHBondContact O-N 3.11Š| ||
| 258 | I | 29.5 | Very low | 28.5 | Very low | 162 Ų | 162 | 139 Ų | 139 | 83% | 0.831 | 76% | 0.756 | S | S | * | * | 176.6 | 125.1 | 123.1 | -91.1 | 156.3 | 0 | 0 | 0 | 108.1 | |||||
| 259 | H | 25.7 | Very low | 28.2 | Very low | 177 Ų | 177 | 140.7 Ų | 140.7 | 82% | 0.819 | 76% | 0.762 | S | S | * | * | trans | -76.3 | 122.3 | 168.5 | -90.2 | -94.3 | 0 | 0 | 0 | 110 | ||||
| 260 | R | 25.8 | Very low | 27.7 | Very low | 240 Ų | 240 | 141.3 Ų | 141.3 | 91% | 0.906 | 76% | 0.761 | S | S | * | * | trans | -140.6 | 109.6 | 146.7 | -152.6 | 170.3 | -159.2 | 179.3 | 5.5 | 111.8 | ||||
| 261 | T | 27.6 | Very low | 27.3 | Very low | 99 Ų | 99 | 144.5 Ų | 144.5 | 61% | 0.607 | 76% | 0.758 | S | S | * | * | trans | -72.7 | 146.2 | 175.5 | 13.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 262 | M | 22.7 | Very low | 27.2 | Very low | 107 Ų | 107 | 143 Ų | 143 | 53% | 0.527 | 75% | 0.75 | S | S | . | * | trans | 48.8 | 101.3 | 151.7 | -52.7 | -60.4 | -74.9 | 0 | 0 | 117.3 | S264 P1633 | M262-S264 WeakPolarHBondContact CE-OG 3.3Å; M262-P1633 HydrophobicContact CE-CG 3.52Å | ||
| 263 | I | 29.8 | Very low | 27.3 | Very low | 175 Ų | 175 | 145 Ų | 145 | 90% | 0.897 | 75% | 0.753 | S | S | * | * | trans | -96.9 | 95.6 | 144.1 | -64.1 | 174.4 | 0 | 0 | 0 | 106.6 | ||||
| 264 | S | 26 | Very low | 27.3 | Very low | 86 Ų | 86 | 145.9 Ų | 145.9 | 60% | 0.601 | 75% | 0.749 | S | S | * | * | trans | -112.2 | 109.8 | 161.6 | -64.7 | 0 | 0 | 0 | 0 | 106.9 | M262 | M262-S264 WeakPolarHBondContact CE-OG 3.3Š| ||
| 265 | S | 26.7 | Very low | 27.2 | Very low | 100 Ų | 100 | 147.4 Ų | 147.4 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | trans | -156.8 | 113.6 | 170.6 | -60.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 266 | E | 25.8 | Very low | 27.2 | Very low | 174 Ų | 174 | 147.2 Ų | 147.2 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | trans | -62.2 | 137.6 | 152.6 | -59.4 | 144.2 | 89.1 | 0 | 0 | 107.4 | ||||
| 267 | T | 30.6 | Very low | 27 | Very low | 131 Ų | 131 | 145 Ų | 145 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | trans | -153.7 | 103 | 150.7 | -9.6 | 0 | 0 | 0 | 0 | 111.9 | V269 | T267-V269 PolarHBondContact O-N 2.91Š| ||
| 268 | Q | 24 | Very low | 26.9 | Very low | 168 Ų | 168 | 144.1 Ų | 144.1 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | trans | -30.7 | 123.9 | 152.6 | -173 | 172.9 | 25.8 | 0 | 0 | 114.2 | ||||
| 269 | V | 32.9 | Very low | 26.7 | Very low | 126 Ų | 126 | 141.9 Ų | 141.9 | 76% | 0.764 | 73% | 0.73 | S | S | * | * | trans | 20.6 | 115.6 | 146.3 | -173.9 | 0 | 0 | 0 | 0 | 118.1 | T267 | T267-V269 PolarHBondContact O-N 2.91Š| ||
| 270 | D | 26.4 | Very low | 26.6 | Very low | 127 Ų | 127 | 138.7 Ų | 138.7 | 68% | 0.679 | 72% | 0.718 | S | S | * | * | -157.4 | -176.2 | 116.1 | -135.7 | -32.3 | 0 | 0 | 0 | 112.7 | |||||
| 271 | K | 25.5 | Very low | 26.7 | Very low | 159 Ų | 159 | 134.8 Ų | 134.8 | 69% | 0.691 | 71% | 0.714 | S | S | * | * | trans | -88.5 | -171.2 | -161.2 | -59.9 | 163.8 | -155 | 81.8 | 0 | 115.5 | ||||
| 272 | D | 28.4 | Very low | 26.5 | Very low | 127 Ų | 127 | 136.5 Ų | 136.5 | 68% | 0.679 | 71% | 0.713 | S | S | * | * | trans | 80.2 | 84.4 | 153.3 | -57.7 | -26.8 | 0 | 0 | 0 | 118.1 | ||||
| 273 | F | 27.8 | Very low | 26.7 | Very low | 201 Ų | 201 | 138 Ų | 138 | 88% | 0.882 | 72% | 0.723 | S | S | * | * | trans | -117.7 | 71 | 141.5 | -148.4 | -88.7 | 0 | 0 | 0 | 111.3 | ||||
| 274 | I | 26.4 | Very low | 26.6 | Very low | 133 Ų | 133 | 136.6 Ų | 136.6 | 68% | 0.682 | 72% | 0.717 | S | S | * | * | trans | -64.5 | 132 | 157.6 | -59 | 167 | 0 | 0 | 0 | 107 | ||||
| 275 | K | 25.3 | Very low | 27.7 | Very low | 158 Ų | 158 | 137.1 Ų | 137.1 | 69% | 0.687 | 72% | 0.719 | S | S | * | * | 176.7 | 143.1 | 130 | -100.4 | 175.9 | 172.2 | -158.5 | 0 | 116.8 | |||||
| 276 | D | 27.7 | Very low | 27.8 | Very low | 128 Ų | 128 | 139.6 Ų | 139.6 | 68% | 0.684 | 73% | 0.725 | S | S | * | * | trans | 63.4 | 144.5 | 139.1 | -57.2 | -15.3 | 0 | 0 | 0 | 120.9 | ||||
| 277 | V | 24.6 | Very low | 28.1 | Very low | 111 Ų | 111 | 139.8 Ų | 139.8 | 67% | 0.673 | 73% | 0.725 | S | S | * | * | cis | -174.5 | 155.5 | -30.7 | 110.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 278 | D | 25.6 | Very low | 27.9 | Very low | 138 Ų | 138 | 140.3 Ų | 140.3 | 74% | 0.738 | 72% | 0.722 | S | S | * | * | trans | 62.9 | 159.1 | 164.2 | -72.8 | -6.2 | 0 | 0 | 0 | 119.3 | ||||
| 279 | T | 25.3 | Very low | 28 | Very low | 115 Ų | 115 | 140.6 Ų | 140.6 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | cis | -156.7 | 160.7 | -13 | 17.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 280 | D | 23.6 | Very low | 27.7 | Very low | 109 Ų | 109 | 143 Ų | 143 | 58% | 0.583 | 72% | 0.723 | S | S | * | * | trans | 44 | 127.1 | 146 | -89.3 | 5.8 | 0 | 0 | 0 | 124.3 | K282 | D280-K282 IonicContact OD1-NZ 2.74Å; D280-K282 IonicContact OD2-NZ 3.98Å; D280-K282 PolarHBondContact OD2-NZ 3.07Å | ||
| 281 | I | 27.9 | Very low | 27.6 | Very low | 159 Ų | 159 | 144.3 Ų | 144.3 | 82% | 0.815 | 73% | 0.729 | S | S | * | * | 158.3 | 107.2 | 124.8 | -81.3 | 156.5 | 0 | 0 | 0 | 107.2 | |||||
| 282 | K | 24.3 | Very low | 27.6 | Very low | 134 Ų | 134 | 141 Ų | 141 | 58% | 0.583 | 73% | 0.726 | S | S | * | * | cis | 93.6 | 107.4 | 48.2 | -78.8 | 175.7 | 175.1 | 145.1 | 0 | 115.3 | D280 | D280-K282 IonicContact OD1-NZ 2.74Å; D280-K282 IonicContact OD2-NZ 3.98Å; D280-K282 PolarHBondContact OD2-NZ 3.07Å | ||
| 283 | N | 25 | Very low | 27.4 | Very low | 139 Ų | 139 | 141.4 Ų | 141.4 | 74% | 0.743 | 73% | 0.728 | S | S | * | * | trans | 70.2 | 160.9 | 137.5 | -52.1 | -1.2 | 0 | 0 | 0 | 117.1 | ||||
| 284 | N | 27.9 | Very low | 27.2 | Very low | 145 Ų | 145 | 139.8 Ų | 139.8 | 78% | 0.775 | 72% | 0.72 | S | S | * | * | cis | -154 | 173.4 | -5.5 | -130.1 | 27.1 | 0 | 0 | 0 | 109.8 | ||||
| 285 | P | 49.3 | Very low | 27.1 | Very low | 98 Ų | 98 | 139 Ų | 139 | 64% | 0.636 | 71% | 0.714 | S | S | * | * | trans | -98.2 | 162.3 | -179.5 | 38.7 | -34 | 0 | 0 | 0 | 114.4 | ||||
| 286 | D | 29.5 | Very low | 27 | Very low | 152 Ų | 152 | 137.7 Ų | 137.7 | 81% | 0.813 | 72% | 0.719 | S | S | * | * | trans | -178.6 | 163 | 132.7 | -106.4 | -28.2 | 0 | 0 | 0 | 113 | ||||
| 287 | Q | 32.7 | Very low | 26.7 | Very low | 178 Ų | 178 | 135.7 Ų | 135.7 | 83% | 0.832 | 72% | 0.721 | S | S | * | * | trans | 81.4 | 167 | 174.5 | -54.2 | 171.7 | 107.4 | 0 | 0 | 117.9 | ||||
| 288 | I | 25 | Very low | 26.6 | Very low | 141 Ų | 141 | 134.9 Ų | 134.9 | 72% | 0.723 | 72% | 0.72 | S | S | * | * | -163.6 | 146.3 | -62.8 | -114.6 | 165.4 | 0 | 0 | 0 | 111.7 | |||||
| 289 | Q | 27 | Very low | 26.4 | Very low | 174 Ų | 174 | 135.4 Ų | 135.4 | 81% | 0.813 | 72% | 0.722 | S | S | * | * | trans | 64.8 | 132.8 | 174.1 | -74.7 | 169.8 | 49.8 | 0 | 0 | 116.7 | ||||
| 290 | K | 26 | Very low | 27.1 | Very low | 177 Ų | 177 | 134.7 Ų | 134.7 | 77% | 0.77 | 72% | 0.719 | S | S | * | * | cis | 93.6 | 95.3 | 39.8 | -175.9 | -159.4 | 175.7 | -174.6 | 0 | 113.1 | ||||
| 291 | L | 24.6 | Very low | 27 | Very low | 154 Ų | 154 | 139.1 Ų | 139.1 | 81% | 0.806 | 73% | 0.733 | S | S | * | * | -175.3 | 123.4 | 127 | -89.3 | 168.8 | 0 | 0 | 0 | 106.1 | |||||
| 292 | S | 26.4 | Very low | 26.9 | Very low | 90 Ų | 90 | 135 Ų | 135 | 63% | 0.629 | 73% | 0.729 | S | S | * | * | cis | 84 | 123.9 | 48 | -179.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 293 | L | 23.1 | Very low | 26.7 | Very low | 136 Ų | 136 | 134 Ų | 134 | 71% | 0.712 | 74% | 0.739 | S | S | * | * | cis | -163.9 | 171.4 | 6.5 | -124.6 | 175.9 | 0 | 0 | 0 | 112.1 | ||||
| 294 | K | 23.7 | Very low | 26.8 | Very low | 166 Ų | 166 | 133.4 Ų | 133.4 | 72% | 0.722 | 74% | 0.74 | S | S | * | * | trans | 90 | 135.4 | 160.2 | -66.1 | -160.9 | 173.7 | -89.6 | 0 | 120.2 | ||||
| 295 | E | 24.4 | Very low | 26.4 | Very low | 118 Ų | 118 | 135.2 Ų | 135.2 | 55% | 0.551 | 74% | 0.744 | S | S | * | * | cis | -172.1 | 157.4 | -29.8 | -127.3 | 171.4 | 174.6 | 0 | 0 | 112.3 | ||||
| 296 | T | 23.2 | Very low | 25.3 | Very low | 130 Ų | 130 | 137.7 Ų | 137.7 | 80% | 0.798 | 75% | 0.751 | S | S | * | * | trans | 62.5 | 154.1 | 155.1 | 52.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 297 | A | 22.3 | Very low | 24.9 | Very low | 86 Ų | 86 | 135.3 Ų | 135.3 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | cis | -177.1 | 157.6 | -17.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 298 | S | 21.8 | Very low | 24.4 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 66% | 0.657 | 75% | 0.747 | S | S | * | * | cis | 179.6 | 153.7 | -15.1 | 56.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 299 | L | 21.1 | Very low | 24.2 | Very low | 148 Ų | 148 | 134.7 Ų | 134.7 | 78% | 0.775 | 75% | 0.749 | S | S | * | * | trans | 66.6 | 168.7 | 153.3 | -95.6 | 70.8 | 0 | 0 | 0 | 118 | ||||
| 300 | P | 40.4 | Very low | 24.1 | Very low | 101 Ų | 101 | 132.3 Ų | 132.3 | 66% | 0.656 | 75% | 0.751 | S | S | * | * | cis | -136.9 | 144.9 | -23.3 | 32.6 | -13.4 | 0 | 0 | 0 | 117 | ||||
| 301 | K | 21 | Very low | 24 | Very low | 202 Ų | 202 | 132 Ų | 132 | 88% | 0.878 | 75% | 0.752 | S | S | * | * | 37.4 | 138.9 | 128.1 | -51.9 | 179.4 | 179.8 | -177.7 | 0 | 122.7 | |||||
| 302 | G | 25.6 | Very low | 24 | Very low | 71 Ų | 71 | 132 Ų | 132 | 73% | 0.732 | 75% | 0.752 | S | S | * | * | trans | 134.9 | 103.6 | 161.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 303 | S | 20.2 | Very low | 23.9 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | cis | 71.7 | 69 | 13.9 | 87.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 304 | V | 27.8 | Very low | 23.9 | Very low | 127 Ų | 127 | 133.7 Ų | 133.7 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | trans | -142.5 | 119.7 | 146.7 | 173.4 | 0 | 0 | 0 | 0 | 108.9 | I306 | V304-I306 HydrophobicContact CG1-CD1 4.31Å; V304-I306 HydrophobicContact CG1-CG1 3.86Å | ||
| 305 | E | 19.6 | Very low | 24 | Very low | 183 Ų | 183 | 130.8 Ų | 130.8 | 86% | 0.855 | 76% | 0.763 | S | S | * | * | trans | -85.6 | 132.9 | 157.6 | -61.3 | 170.8 | 110.4 | 0 | 0 | 108.7 | ||||
| 306 | I | 25.7 | Very low | 24.2 | Very low | 151 Ų | 151 | 131.2 Ų | 131.2 | 77% | 0.774 | 78% | 0.779 | S | S | * | * | trans | -136.7 | 99.1 | 151.9 | -61.2 | -177.5 | 0 | 0 | 0 | 108.4 | V304 | V304-I306 HydrophobicContact CG1-CD1 4.31Å; V304-I306 HydrophobicContact CG1-CG1 3.86Å | ||
| 307 | S | 21.1 | Very low | 24.5 | Very low | 101 Ų | 101 | 129.9 Ų | 129.9 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | trans | -69.9 | 133.7 | 160.6 | -32.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 308 | K | 22.2 | Very low | 24.7 | Very low | 198 Ų | 198 | 131.7 Ų | 131.7 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | trans | -165.6 | 124.2 | 137.6 | -108.3 | 149.5 | -168.7 | 172.8 | 0 | 113.9 | ||||
| 309 | S | 22.3 | Very low | 24.9 | Very low | 108 Ų | 108 | 134.1 Ų | 134.1 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | -44.8 | 152 | 152.9 | -15.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 310 | S | 24.9 | Very low | 25.2 | Very low | 124 Ų | 124 | 134.2 Ų | 134.2 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | -170.3 | 153.6 | 100 | -92.3 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 311 | E | 22.6 | Very low | 24.7 | Very low | 170 Ų | 170 | 134.4 Ų | 134.4 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | -86.9 | 159 | 177.7 | -53.8 | 168.5 | 110 | 0 | 0 | 112.2 | ||||
| 312 | L | 24.1 | Very low | 25 | Very low | 154 Ų | 154 | 130.7 Ų | 130.7 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | trans | 63.3 | -173 | 148.7 | -69.9 | 162.2 | 0 | 0 | 0 | 117.6 | ||||
| 313 | L | 24.4 | Very low | 25.2 | Very low | 161 Ų | 161 | 135.5 Ų | 135.5 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | 66.3 | 87.4 | -169.7 | -49.2 | -174.3 | 0 | 0 | 0 | 112.2 | ||||
| 314 | S | 23.6 | Very low | 25.8 | Very low | 101 Ų | 101 | 135.2 Ų | 135.2 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | cis | 62 | 125.9 | 35.5 | -179.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 315 | S | 25.2 | Very low | 26 | Very low | 106 Ų | 106 | 136.9 Ų | 136.9 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | trans | 67.4 | 125.6 | 176.1 | 74.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 316 | S | 28.9 | Very low | 26.6 | Very low | 126 Ų | 126 | 136 Ų | 136 | 88% | 0.881 | 80% | 0.801 | S | S | * | * | trans | -133.8 | 90.7 | 162 | 170.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 317 | P | 30.3 | Very low | 27 | Very low | 103 Ų | 103 | 136.9 Ų | 136.9 | 67% | 0.669 | 80% | 0.8 | S | S | * | * | trans | -96.8 | 137.6 | -168.9 | 35.7 | -33.8 | 0 | 0 | 0 | 114.9 | ||||
| 318 | V | 26.9 | Very low | 27.8 | Very low | 124 Ų | 124 | 142.3 Ų | 142.3 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | 63.5 | 104.1 | 125.6 | -176.8 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 319 | L | 25.1 | Very low | 28.9 | Very low | 144 Ų | 144 | 136 Ų | 136 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | trans | 77.3 | 141.7 | 138.9 | -66.1 | 174.1 | 0 | 0 | 0 | 123.8 | ||||
| 320 | N | 27.1 | Very low | 30.5 | Very low | 150 Ų | 150 | 135 Ų | 135 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | trans | 58.1 | 109.4 | 141 | -64.6 | -10.8 | 0 | 0 | 0 | 121.7 | ||||
| 321 | A | 30.8 | Very low | 31.9 | Very low | 105 Ų | 105 | 133 Ų | 133 | 87% | 0.868 | 78% | 0.782 | S | S | * | * | trans | -140.1 | 142.7 | 141.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 322 | S | 27.6 | Very low | 33.6 | Very low | 124 Ų | 124 | 129.6 Ų | 129.6 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | trans | -82.8 | 148.8 | -167.4 | -59.5 | 0 | 0 | 0 | 0 | 115 | S324 | S322-S324 PolarHBondContact O-N 2.68Š| ||
| 323 | L | 28.4 | Very low | 35.5 | Very low | 173 Ų | 173 | 125.4 Ų | 125.4 | 91% | 0.906 | 76% | 0.764 | S | S | * | * | trans | -65.4 | 105.1 | 165.6 | -70.7 | 167.1 | 0 | 0 | 0 | 111.3 | ||||
| 324 | S | 33.9 | Very low | 37.5 | Very low | 107 Ų | 107 | 120.5 Ų | 120.5 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | trans | -172.3 | 131.6 | 151.1 | -82.5 | 0 | 0 | 0 | 0 | 110.9 | S322 | S322-S324 PolarHBondContact O-N 2.68Š| ||
| 325 | N | 30.6 | Very low | 40 | Very low | 162 Ų | 162 | 118.8 Ų | 118.8 | 87% | 0.866 | 74% | 0.739 | S | S | * | * | trans | 124.4 | 11.1 | 169.9 | -65.3 | -15 | 0 | 0 | 0 | 117.6 | F327 | N325-F327 PolarHBondContact O-N 3.38Å; N325-F327 VanDerWaalsContact O-N 3.08Å | ||
| 326 | L | 32.2 | Very low | 42.5 | Very low | 164 Ų | 164 | 119.1 Ų | 119.1 | 86% | 0.859 | 73% | 0.732 | S | S | * | * | trans | -84.6 | 69.1 | 173.2 | -165.6 | 79.1 | 0 | 0 | 0 | 113.5 | ||||
| 327 | F | 33.9 | Very low | 44.8 | Very low | 170 Ų | 170 | 118.1 Ų | 118.1 | 75% | 0.746 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -166.6 | 101 | 160.1 | -117.8 | -85.9 | 0 | 0 | 0 | 105.5 | N325 | N325-F327 PolarHBondContact O-N 3.38Å; N325-F327 VanDerWaalsContact O-N 3.08Å |
| 328 | Y | 39.7 | Very low | 47 | Very low | 214 Ų | 214 | 115.7 Ų | 115.7 | 84% | 0.839 | 70% | 0.701 | S | S | * | * | S | Bend | -156.3 | 14.7 | 71.8 | -104.8 | -81.5 | 0 | 0 | 0 | 114.9 | |||
| 329 | G | 43.8 | Very low | 49.6 | Very low | 66 Ų | 66 | 112.3 Ų | 112.3 | 68% | 0.68 | 69% | 0.687 | S | S | * | * | trans | -96.6 | -4.4 | -163.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | A331 | G329-A331 PolarHBondContact O-N 3.3Š| ||
| 330 | S | 56.7 | Low | 52.5 | Low | 88 Ų | 88 | 110 Ų | 110 | 62% | 0.615 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -70.8 | -28.3 | -159.6 | 53.7 | 0 | 0 | 0 | 0 | 116.7 | S332 A333 A334 | S330-S332 PolarHBondContact O-N 2.87Å; S330-A333 PolarHBondContact O-N 2.85Å; S330-A334 PolarHBondContact O-N 2.81Å |
| 331 | A | 53.5 | Low | 55.1 | Low | 82 Ų | 82 | 109 Ų | 109 | 68% | 0.678 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -62.7 | -38.6 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | G329 A335 | G329-A331 PolarHBondContact O-N 3.3Å; A331-A335 PolarHBondContact O-N 3.49Å |
| 332 | S | 58.8 | Low | 57.7 | Low | 98 Ų | 98 | 108.8 Ų | 108.8 | 69% | 0.685 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -75.1 | -27.4 | -177.4 | -167.2 | 0 | 0 | 0 | 0 | 113.4 | S330 L336 | S330-S332 PolarHBondContact O-N 2.87Å; S332-L336 PolarHBondContact O-N 2.87Å |
| 333 | A | 64 | Low | 60.6 | Low | 65 Ų | 65 | 108.2 Ų | 108.2 | 54% | 0.537 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -72.4 | -46.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | S330 A335 L336 E337 | S330-A333 PolarHBondContact O-N 2.85Å; A333-A335 VanDerWaalsContact C-N 3.28Å; A333-A335 PolarHBondContact O-N 3.26Å; A333-L336 PolarHBondContact O-N 3.5Å; A333-L336 VanDerWaalsContact O-N 3.14Å; A333-E337 PolarHBondContact O-N 2.59Å |
| 334 | A | 67.4 | Low | 63.2 | Low | 58 Ų | 58 | 104.8 Ų | 104.8 | 48% | 0.479 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -59.2 | -36.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S330 A338 | S330-A334 PolarHBondContact O-N 2.81Å; A334-A338 WeakPolarHBondContact O-CB 3.33Å; A334-A338 PolarHBondContact O-N 3.44Å |
| 335 | A | 74.7 | Confident | 65.6 | Low | 66 Ų | 66 | 105.2 Ų | 105.2 | 55% | 0.545 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -65.7 | -39.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | A331 A333 A339 | A331-A335 PolarHBondContact O-N 3.49Å; A333-A335 VanDerWaalsContact C-N 3.28Å; A333-A335 PolarHBondContact O-N 3.26Å; A335-A339 PolarHBondContact O-N 2.91Å; A335-A339 VanDerWaalsContact O-N 3.14Å |
| 336 | L | 78.4 | Confident | 68.1 | Low | 113 Ų | 113 | 103.5 Ų | 103.5 | 59% | 0.592 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -72.4 | -39 | 177.8 | -174.9 | 62.4 | 0 | 0 | 0 | 111.8 | S332 A333 A338 A339 N340 | S332-L336 PolarHBondContact O-N 2.87Å; A333-L336 PolarHBondContact O-N 3.5Å; A333-L336 VanDerWaalsContact O-N 3.14Å; L336-A338 VanDerWaalsContact C-N 3.33Å; L336-A338 PolarHBondContact O-N 2.87Å; L336-A339 PolarHBondContact O-N 3.41Å; L336-N340 PolarHBondContact O-N 3.45Å |
| 337 | E | 77 | Confident | 70.8 | Confident | 105 Ų | 105 | 100.7 Ų | 100.7 | 49% | 0.491 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.9 | -38.9 | 174.5 | -168.7 | -179.2 | 165.7 | 0 | 0 | 111.9 | A333 N340 R341 | A333-E337 PolarHBondContact O-N 2.59Å; E337-N340 PolarHBondContact O-N 2.82Å; E337-R341 PolarHBondContact O-N 2.74Å; E337-R341 IonicContact OE1-CZ 3.63Å; E337-R341 IonicContact OE1-NH1 2.67Å; E337-R341 PolarHBondContact OE1-NH1 3.1Å; E337-R341 IonicContact OE1-NH2 3.89Å |
| 338 | A | 76.2 | Confident | 73.3 | Confident | 51 Ų | 51 | 95.9 Ų | 95.9 | 42% | 0.421 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.9 | -41.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A334 L336 R341 I342 | A334-A338 WeakPolarHBondContact O-CB 3.33Å; A334-A338 PolarHBondContact O-N 3.44Å; L336-A338 VanDerWaalsContact C-N 3.33Å; L336-A338 PolarHBondContact O-N 2.87Å; A338-R341 WeakPolarHBondContact O-CB 3.38Å; A338-R341 PolarHBondContact O-N 3.04Å; A338-I342 WeakPolarHBondContact O-CG1 3.44Å; A338-I342 PolarHBondContact O-N 2.95Å |
| 339 | A | 82.1 | Confident | 75.5 | Confident | 53 Ų | 53 | 91.8 Ų | 91.8 | 44% | 0.438 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A335 L336 I342 K343 | A335-A339 PolarHBondContact O-N 2.91Å; A335-A339 VanDerWaalsContact O-N 3.14Å; L336-A339 PolarHBondContact O-N 3.41Å; A339-I342 PolarHBondContact O-N 2.85Å; A339-K343 PolarHBondContact O-N 3.03Å |
| 340 | N | 85.2 | Confident | 77.6 | Confident | 97 Ų | 97 | 95.5 Ų | 95.5 | 52% | 0.519 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 174.5 | -71.9 | -17.9 | 0 | 0 | 0 | 111.9 | L336 E337 I342 K343 E344 | L336-N340 PolarHBondContact O-N 3.45Å; E337-N340 PolarHBondContact O-N 2.82Å; N340-I342 VanDerWaalsContact C-N 3.29Å; N340-I342 PolarHBondContact O-N 3.13Å; N340-K343 PolarHBondContact O-N 2.96Å; N340-E344 WeakPolarHBondContact O-CB 3.41Å; N340-E344 PolarHBondContact O-N 3.19Å |
| 341 | R | 83.1 | Confident | 79 | Confident | 129 Ų | 129 | 96.5 Ų | 96.5 | 49% | 0.487 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -56.1 | -41.1 | 173 | -112.3 | 66.5 | 175.4 | -115.3 | 12.6 | 112.5 | E337 A338 E344 L345 | E337-R341 PolarHBondContact O-N 2.74Å; E337-R341 IonicContact OE1-CZ 3.63Å; E337-R341 IonicContact OE1-NH1 2.67Å; E337-R341 PolarHBondContact OE1-NH1 3.1Å; E337-R341 IonicContact OE1-NH2 3.89Å; A338-R341 WeakPolarHBondContact O-CB 3.38Å; A338-R341 PolarHBondContact O-N 3.04Å; R341-E344 PolarHBondContact O-N 2.69Å; R341-L345 WeakPolarHBondContact O-CB 3.45Å; R341-L345 WeakPolarHBondContact O-CG 3.44Å; R341-L345 PolarHBondContact O-N 3.3Å |
| 342 | I | 85.3 | Confident | 80.4 | Confident | 100 Ų | 100 | 98.6 Ų | 98.6 | 51% | 0.513 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.8 | -42 | 179.5 | -69 | 165.8 | 0 | 0 | 0 | 111 | A338 A339 N340 L345 Q346 | A338-I342 WeakPolarHBondContact O-CG1 3.44Å; A338-I342 PolarHBondContact O-N 2.95Å; A339-I342 PolarHBondContact O-N 2.85Å; N340-I342 VanDerWaalsContact C-N 3.29Å; N340-I342 PolarHBondContact O-N 3.13Å; I342-L345 PolarHBondContact O-N 2.83Å; I342-Q346 WeakPolarHBondContact O-CG 3.47Å; I342-Q346 PolarHBondContact O-N 3.41Å |
| 343 | K | 86.9 | Confident | 81.7 | Confident | 111 Ų | 111 | 96.2 Ų | 96.2 | 48% | 0.483 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.7 | -44.2 | 176.4 | -175.1 | 174 | 178.9 | -68.6 | 0 | 112.1 | A339 N340 L345 Q346 E347 | A339-K343 PolarHBondContact O-N 3.03Å; N340-K343 PolarHBondContact O-N 2.96Å; K343-L345 VanDerWaalsContact C-N 3.32Å; K343-L345 PolarHBondContact O-N 3.34Å; K343-Q346 PolarHBondContact O-N 3.06Å; K343-E347 WeakPolarHBondContact CE-OE1 3.38Å; K343-E347 IonicContact NZ-OE1 2.57Å; K343-E347 PolarHBondContact NZ-OE1 3.17Å; K343-E347 IonicContact NZ-OE2 3.79Å; K343-E347 PolarHBondContact O-N 3.12Å |
| 344 | E | 84.3 | Confident | 82.8 | Confident | 102 Ų | 102 | 96.6 Ų | 96.6 | 48% | 0.477 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.6 | -43.4 | 173.8 | -179.3 | -177.4 | -165.2 | 0 | 0 | 111.6 | N340 R341 E347 N348 | N340-E344 WeakPolarHBondContact O-CB 3.41Å; N340-E344 PolarHBondContact O-N 3.19Å; R341-E344 PolarHBondContact O-N 2.69Å; E344-E347 PolarHBondContact O-N 3.07Å; E344-N348 WeakPolarHBondContact O-CB 3.44Å; E344-N348 PolarHBondContact O-N 2.96Å; E344-N348 PolarHBondContact O-ND2 2.92Å |
| 345 | L | 82.8 | Confident | 83.6 | Confident | 115 Ų | 115 | 97.3 Ų | 97.3 | 60% | 0.602 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.3 | -33.8 | 176 | -73.5 | 168.3 | 0 | 0 | 0 | 113 | R341 I342 K343 L349 | R341-L345 WeakPolarHBondContact O-CB 3.45Å; R341-L345 WeakPolarHBondContact O-CG 3.44Å; R341-L345 PolarHBondContact O-N 3.3Å; I342-L345 PolarHBondContact O-N 2.83Å; K343-L345 VanDerWaalsContact C-N 3.32Å; K343-L345 PolarHBondContact O-N 3.34Å; L345-L349 WeakPolarHBondContact O-CB 3.4Å; L345-L349 PolarHBondContact O-N 2.97Å |
| 346 | Q | 84.3 | Confident | 84.1 | Confident | 126 Ų | 126 | 99.9 Ų | 99.9 | 59% | 0.589 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.3 | -47.6 | 174.2 | -75.6 | 175 | -35 | 0 | 0 | 111.7 | I342 K343 N348 L349 E350 | I342-Q346 WeakPolarHBondContact O-CG 3.47Å; I342-Q346 PolarHBondContact O-N 3.41Å; K343-Q346 PolarHBondContact O-N 3.06Å; Q346-N348 PolarHBondContact O-N 3.46Å; Q346-L349 PolarHBondContact O-N 3.42Å; Q346-L349 VanDerWaalsContact O-N 3.11Å; Q346-E350 PolarHBondContact O-N 3.02Å |
| 347 | E | 88.2 | Confident | 84.5 | Confident | 106 Ų | 106 | 99.5 Ų | 99.5 | 50% | 0.495 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 177.7 | -72.3 | 171.9 | 178.8 | 0 | 0 | 111.5 | K343 E344 L349 E350 Q351 | K343-E347 WeakPolarHBondContact CE-OE1 3.38Å; K343-E347 IonicContact NZ-OE1 2.57Å; K343-E347 PolarHBondContact NZ-OE1 3.17Å; K343-E347 IonicContact NZ-OE2 3.79Å; K343-E347 PolarHBondContact O-N 3.12Å; E344-E347 PolarHBondContact O-N 3.07Å; E347-L349 VanDerWaalsContact C-N 3.34Å; E347-L349 PolarHBondContact O-N 2.91Å; E347-E350 PolarHBondContact O-N 2.9Å; E347-Q351 WeakPolarHBondContact O-CB 3.15Å; E347-Q351 PolarHBondContact O-N 3.41Å |
| 348 | N | 86.6 | Confident | 84.8 | Confident | 69 Ų | 69 | 96.7 Ų | 96.7 | 37% | 0.369 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.7 | -40.9 | 171.9 | -87 | -83.1 | 0 | 0 | 0 | 112.7 | E344 Q346 Q351 R352 | E344-N348 WeakPolarHBondContact O-CB 3.44Å; E344-N348 PolarHBondContact O-N 2.96Å; E344-N348 PolarHBondContact O-ND2 2.92Å; Q346-N348 PolarHBondContact O-N 3.46Å; N348-Q351 PolarHBondContact O-N 2.96Å; N348-R352 WeakPolarHBondContact O-CG 3.33Å; N348-R352 PolarHBondContact O-N 3.48Å |
| 349 | L | 86.2 | Confident | 85.1 | Confident | 128 Ų | 128 | 96.5 Ų | 96.5 | 67% | 0.67 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -70.6 | -37.2 | -178.1 | -162.6 | 153.7 | 0 | 0 | 0 | 111.6 | L345 Q346 E347 R352 A353 | L345-L349 WeakPolarHBondContact O-CB 3.4Å; L345-L349 PolarHBondContact O-N 2.97Å; Q346-L349 PolarHBondContact O-N 3.42Å; Q346-L349 VanDerWaalsContact O-N 3.11Å; E347-L349 VanDerWaalsContact C-N 3.34Å; E347-L349 PolarHBondContact O-N 2.91Å; L349-R352 PolarHBondContact O-N 3.23Å; L349-A353 PolarHBondContact O-N 3.41Å |
| 350 | E | 88.3 | Confident | 85.1 | Confident | 143 Ų | 143 | 102.3 Ų | 102.3 | 67% | 0.668 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -72.2 | -34.5 | 175.5 | -169.1 | 153.7 | -142.2 | 0 | 0 | 112.5 | Q346 E347 A353 S354 | Q346-E350 PolarHBondContact O-N 3.02Å; E347-E350 PolarHBondContact O-N 2.9Å; E350-A353 PolarHBondContact O-N 3.28Å; E350-S354 PolarHBondContact O-N 2.78Å; E350-S354 PolarHBondContact O-OG 3.13Å |
| 351 | Q | 86.3 | Confident | 85.2 | Confident | 109 Ų | 109 | 106.8 Ų | 106.8 | 51% | 0.509 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.8 | -50.9 | 166.8 | -179.8 | -179.3 | -28.8 | 0 | 0 | 111 | E347 N348 A353 S354 E355 | E347-Q351 WeakPolarHBondContact O-CB 3.15Å; E347-Q351 PolarHBondContact O-N 3.41Å; N348-Q351 PolarHBondContact O-N 2.96Å; Q351-A353 VanDerWaalsContact C-N 3.29Å; Q351-A353 PolarHBondContact O-N 3.44Å; Q351-S354 WeakPolarHBondContact O-CA 3.44Å; Q351-S354 WeakPolarHBondContact O-CB 3.32Å; Q351-S354 PolarHBondContact O-N 3.43Å; Q351-E355 HydrophobicContact CG-CG 4.4Å; Q351-E355 WeakPolarHBondContact CG-OE1 3.38Å; Q351-E355 PolarHBondContact NE2-OE1 3.29Å; Q351-E355 WeakPolarHBondContact O-CG 3.45Å; Q351-E355 PolarHBondContact O-N 3.2Å |
| 352 | R | 82 | Confident | 85.2 | Confident | 126 Ų | 126 | 104.1 Ų | 104.1 | 48% | 0.475 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.2 | -37.2 | 178.2 | -70.4 | -70.9 | -161.7 | 135.9 | 14.5 | 112.8 | N348 L349 S354 E355 L356 | N348-R352 WeakPolarHBondContact O-CG 3.33Å; N348-R352 PolarHBondContact O-N 3.48Å; L349-R352 PolarHBondContact O-N 3.23Å; R352-S354 VanDerWaalsContact C-N 3.35Å; R352-E355 WeakPolarHBondContact CD-OE2 3.33Å; R352-L356 WeakPolarHBondContact O-CB 3.37Å; R352-L356 PolarHBondContact O-N 3.29Å |
| 353 | A | 86.5 | Confident | 85 | Confident | 49 Ų | 49 | 103.8 Ų | 103.8 | 41% | 0.405 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.3 | -39.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | L349 E350 Q351 L356 L357 | L349-A353 PolarHBondContact O-N 3.41Å; E350-A353 PolarHBondContact O-N 3.28Å; Q351-A353 VanDerWaalsContact C-N 3.29Å; Q351-A353 PolarHBondContact O-N 3.44Å; A353-L356 PolarHBondContact O-N 3.06Å; A353-L357 WeakPolarHBondContact O-CG 3.46Å; A353-L357 PolarHBondContact O-N 3.16Å |
| 354 | S | 87.2 | Confident | 84.8 | Confident | 72 Ų | 72 | 104 Ų | 104 | 50% | 0.503 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.6 | -43.8 | 176.2 | -57.9 | 0 | 0 | 0 | 0 | 112.1 | E350 Q351 R352 L356 L357 A358 | E350-S354 PolarHBondContact O-N 2.78Å; E350-S354 PolarHBondContact O-OG 3.13Å; Q351-S354 WeakPolarHBondContact O-CA 3.44Å; Q351-S354 WeakPolarHBondContact O-CB 3.32Å; Q351-S354 PolarHBondContact O-N 3.43Å; R352-S354 VanDerWaalsContact C-N 3.35Å; S354-L356 PolarHBondContact O-N 3.06Å; S354-L357 PolarHBondContact O-N 3.28Å; S354-A358 PolarHBondContact O-N 3.27Å |
| 355 | E | 84.5 | Confident | 84.7 | Confident | 74 Ų | 74 | 103.2 Ų | 103.2 | 35% | 0.346 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.9 | -44.1 | 172.9 | -71.1 | 170.8 | -179.4 | 0 | 0 | 111.7 | Q351 R352 L357 A358 A359 | Q351-E355 HydrophobicContact CG-CG 4.4Å; Q351-E355 WeakPolarHBondContact CG-OE1 3.38Å; Q351-E355 PolarHBondContact NE2-OE1 3.29Å; Q351-E355 WeakPolarHBondContact O-CG 3.45Å; Q351-E355 PolarHBondContact O-N 3.2Å; R352-E355 WeakPolarHBondContact CD-OE2 3.33Å; E355-L357 PolarHBondContact O-N 2.93Å; E355-A358 WeakPolarHBondContact O-CB 3.32Å; E355-A358 PolarHBondContact O-N 3.34Å; E355-A359 WeakPolarHBondContact O-CB 3.41Å; E355-A359 PolarHBondContact O-N 3.07Å |
| 356 | L | 84.6 | Confident | 84.4 | Confident | 120 Ų | 120 | 101.5 Ų | 101.5 | 63% | 0.628 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.9 | -35.1 | 178.7 | -172.7 | 145.7 | 0 | 0 | 0 | 112.4 | R352 A353 S354 R360 | R352-L356 WeakPolarHBondContact O-CB 3.37Å; R352-L356 PolarHBondContact O-N 3.29Å; A353-L356 PolarHBondContact O-N 3.06Å; S354-L356 PolarHBondContact O-N 3.06Å; L356-R360 WeakPolarHBondContact O-CB 3.43Å; L356-R360 PolarHBondContact O-N 3.19Å |
| 357 | L | 87.1 | Confident | 84.3 | Confident | 104 Ų | 104 | 99.9 Ų | 99.9 | 55% | 0.545 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.9 | -37.9 | 171.2 | -76.9 | 171.9 | 0 | 0 | 0 | 112.4 | A353 S354 E355 R360 R361 | A353-L357 WeakPolarHBondContact O-CG 3.46Å; A353-L357 PolarHBondContact O-N 3.16Å; S354-L357 PolarHBondContact O-N 3.28Å; E355-L357 PolarHBondContact O-N 2.93Å; L357-R360 PolarHBondContact O-N 3.24Å; L357-R361 WeakPolarHBondContact O-CG 3.41Å; L357-R361 PolarHBondContact O-N 3.07Å; L357-R361 VanDerWaalsContact O-N 3.13Å |
| 358 | A | 84 | Confident | 84.1 | Confident | 47 Ų | 47 | 97.1 Ų | 97.1 | 39% | 0.388 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.8 | -48 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | S354 E355 R360 R361 Q362 | S354-A358 PolarHBondContact O-N 3.27Å; E355-A358 WeakPolarHBondContact O-CB 3.32Å; E355-A358 PolarHBondContact O-N 3.34Å; A358-R360 VanDerWaalsContact C-N 3.29Å; A358-R360 PolarHBondContact O-N 2.89Å; A358-R361 WeakPolarHBondContact O-CB 3.49Å; A358-R361 PolarHBondContact O-N 3.12Å; A358-R361 VanDerWaalsContact O-N 3.1Å; A358-Q362 PolarHBondContact O-N 3.21Å |
| 359 | A | 81.6 | Confident | 83.7 | Confident | 47 Ų | 47 | 98.1 Ų | 98.1 | 39% | 0.388 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -57.6 | -41.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E355 R361 Q362 V363 | E355-A359 WeakPolarHBondContact O-CB 3.41Å; E355-A359 PolarHBondContact O-N 3.07Å; A359-R361 VanDerWaalsContact C-N 3.33Å; A359-R361 PolarHBondContact O-N 3.05Å; A359-Q362 PolarHBondContact O-N 3.43Å; A359-V363 WeakPolarHBondContact O-CG2 3.13Å; A359-V363 PolarHBondContact O-N 2.99Å |
| 360 | R | 83.1 | Confident | 83.1 | Confident | 175 Ų | 175 | 95.9 Ų | 95.9 | 66% | 0.66 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.7 | -32.8 | 176.9 | -167.7 | 175.4 | -176 | -173.1 | 1.6 | 113.1 | L356 L357 A358 I364 | L356-R360 WeakPolarHBondContact O-CB 3.43Å; L356-R360 PolarHBondContact O-N 3.19Å; L357-R360 PolarHBondContact O-N 3.24Å; A358-R360 VanDerWaalsContact C-N 3.29Å; A358-R360 PolarHBondContact O-N 2.89Å; R360-I364 WeakPolarHBondContact O-CG1 3.4Å; R360-I364 PolarHBondContact O-N 3.02Å |
| 361 | R | 87.2 | Confident | 82.7 | Confident | 190 Ų | 190 | 97.8 Ų | 97.8 | 72% | 0.717 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -67.9 | -44.8 | 171.7 | -69.8 | 177.3 | -176.1 | -176.2 | 2.5 | 111.3 | L357 A358 A359 V363 I364 E365 | L357-R361 WeakPolarHBondContact O-CG 3.41Å; L357-R361 PolarHBondContact O-N 3.07Å; L357-R361 VanDerWaalsContact O-N 3.13Å; A358-R361 WeakPolarHBondContact O-CB 3.49Å; A358-R361 PolarHBondContact O-N 3.12Å; A358-R361 VanDerWaalsContact O-N 3.1Å; A359-R361 VanDerWaalsContact C-N 3.33Å; A359-R361 PolarHBondContact O-N 3.05Å; R361-V363 VanDerWaalsContact C-N 3.32Å; R361-V363 PolarHBondContact O-N 3.27Å; R361-I364 WeakPolarHBondContact O-CB 3.36Å; R361-I364 PolarHBondContact O-N 3.1Å; R361-E365 PolarHBondContact O-N 3.39Å |
| 362 | Q | 82 | Confident | 82.5 | Confident | 74 Ų | 74 | 97.3 Ų | 97.3 | 35% | 0.346 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.4 | -37.9 | 177.8 | -69.7 | 174.3 | -8 | 0 | 0 | 112.4 | A358 A359 I364 E365 L366 | A358-Q362 PolarHBondContact O-N 3.21Å; A359-Q362 PolarHBondContact O-N 3.43Å; Q362-I364 VanDerWaalsContact C-N 3.29Å; Q362-I364 PolarHBondContact O-N 3.29Å; Q362-E365 PolarHBondContact O-N 3.02Å; Q362-L366 WeakPolarHBondContact O-CB 3.35Å; Q362-L366 VanDerWaalsContact O-CG 3.25Å; Q362-L366 WeakPolarHBondContact O-CG 3.48Å; Q362-L366 PolarHBondContact O-N 3.06Å |
| 363 | V | 80.5 | Confident | 82 | Confident | 92 Ų | 92 | 95.1 Ų | 95.1 | 56% | 0.558 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.4 | -38 | 173.3 | 170.6 | 0 | 0 | 0 | 0 | 111.8 | A359 R361 T367 | A359-V363 WeakPolarHBondContact O-CG2 3.13Å; A359-V363 PolarHBondContact O-N 2.99Å; R361-V363 VanDerWaalsContact C-N 3.32Å; R361-V363 PolarHBondContact O-N 3.27Å; V363-T367 WeakPolarHBondContact O-CB 3.37Å; V363-T367 PolarHBondContact O-N 3.37Å; V363-T367 PolarHBondContact O-OG1 2.71Å |
| 364 | I | 83.9 | Confident | 81.4 | Confident | 115 Ų | 115 | 96.3 Ų | 96.3 | 59% | 0.59 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68.7 | -44.8 | 176.5 | -64.5 | 166.5 | 0 | 0 | 0 | 110.8 | R360 R361 Q362 T367 S368 | R360-I364 WeakPolarHBondContact O-CG1 3.4Å; R360-I364 PolarHBondContact O-N 3.02Å; R361-I364 WeakPolarHBondContact O-CB 3.36Å; R361-I364 PolarHBondContact O-N 3.1Å; Q362-I364 VanDerWaalsContact C-N 3.29Å; Q362-I364 PolarHBondContact O-N 3.29Å; I364-T367 WeakPolarHBondContact O-CB 3.48Å; I364-T367 PolarHBondContact O-N 3.14Å; I364-T367 VanDerWaalsContact O-N 3.15Å; I364-S368 PolarHBondContact O-N 3.04Å |
| 365 | E | 81.9 | Confident | 81.1 | Confident | 86 Ų | 86 | 97.6 Ų | 97.6 | 40% | 0.402 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.2 | -40.2 | 178.7 | -168.7 | -175.9 | 150.5 | 0 | 0 | 112.5 | R361 Q362 T367 S368 R369 | R361-E365 PolarHBondContact O-N 3.39Å; Q362-E365 PolarHBondContact O-N 3.02Å; E365-T367 VanDerWaalsContact C-N 3.3Å; E365-T367 PolarHBondContact O-N 2.68Å; E365-S368 PolarHBondContact O-N 3.09Å; E365-S368 PolarHBondContact O-OG 2.84Å; E365-R369 PolarHBondContact O-N 3.28Å; E365-R369 IonicContact OE1-CZ 2.76Å; E365-R369 IonicContact OE1-NH1 3.7Å; E365-R369 PolarHBondContact OE1-NH1 3.45Å; E365-R369 IonicContact OE1-NH2 3.58Å; E365-R369 PolarHBondContact OE1-NH2 3.44Å |
| 366 | L | 76.7 | Confident | 80.6 | Confident | 80 Ų | 80 | 97.9 Ų | 97.9 | 42% | 0.419 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.3 | -31.5 | 172.2 | -69.2 | 170.9 | 0 | 0 | 0 | 111.9 | Q362 S370 L676 | Q362-L366 WeakPolarHBondContact O-CB 3.35Å; Q362-L366 VanDerWaalsContact O-CG 3.25Å; Q362-L366 WeakPolarHBondContact O-CG 3.48Å; Q362-L366 PolarHBondContact O-N 3.06Å; L366-S370 WeakPolarHBondContact O-CB 3.35Å; L366-S370 PolarHBondContact O-N 3.13Å; L366-L676 HydrophobicContact CD2-CD1 4.44Å |
| 367 | T | 81.6 | Confident | 80 | Confident | 91 Ų | 91 | 97.4 Ų | 97.4 | 56% | 0.558 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -70.4 | -37.6 | 174 | -57.6 | 0 | 0 | 0 | 0 | 111.8 | V363 I364 E365 R371 | V363-T367 WeakPolarHBondContact O-CB 3.37Å; V363-T367 PolarHBondContact O-N 3.37Å; V363-T367 PolarHBondContact O-OG1 2.71Å; I364-T367 WeakPolarHBondContact O-CB 3.48Å; I364-T367 PolarHBondContact O-N 3.14Å; I364-T367 VanDerWaalsContact O-N 3.15Å; E365-T367 VanDerWaalsContact C-N 3.3Å; E365-T367 PolarHBondContact O-N 2.68Å; T367-R371 PolarHBondContact O-N 3.35Å; T367-R371 VanDerWaalsContact O-N 3.16Å |
| 368 | S | 83.4 | Confident | 79.6 | Confident | 49 Ų | 49 | 96.4 Ų | 96.4 | 34% | 0.343 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.1 | -48.6 | 174.1 | 84.5 | 0 | 0 | 0 | 0 | 111 | I364 E365 S370 R371 E372 | I364-S368 PolarHBondContact O-N 3.04Å; E365-S368 PolarHBondContact O-N 3.09Å; E365-S368 PolarHBondContact O-OG 2.84Å; S368-S370 VanDerWaalsContact C-N 3.29Å; S368-S370 PolarHBondContact O-N 3.26Å; S368-R371 CarbonylContact O-C 3.54Å; S368-R371 WeakPolarHBondContact O-CA 3.29Å; S368-R371 WeakPolarHBondContact O-CB 3.46Å; S368-R371 PolarHBondContact O-N 3.2Å; S368-E372 VanDerWaalsContact C-CD 3.47Å; S368-E372 WeakPolarHBondContact CB-OE1 3.35Å; S368-E372 VanDerWaalsContact O-CD 3.24Å; S368-E372 WeakPolarHBondContact O-CG 3.37Å; S368-E372 PolarHBondContact O-N 3.43Å; S368-E372 PolarHBondContact OG-OE1 2.85Å |
| 369 | R | 79.7 | Confident | 79.4 | Confident | 90 Ų | 90 | 99.4 Ų | 99.4 | 34% | 0.34 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -57.5 | -37.8 | 174.8 | -74.9 | -167.3 | -179.2 | 109.2 | 11.7 | 113.3 | E365 R371 E372 S373 | E365-R369 PolarHBondContact O-N 3.28Å; E365-R369 IonicContact OE1-CZ 2.76Å; E365-R369 IonicContact OE1-NH1 3.7Å; E365-R369 PolarHBondContact OE1-NH1 3.45Å; E365-R369 IonicContact OE1-NH2 3.58Å; E365-R369 PolarHBondContact OE1-NH2 3.44Å; R369-R371 VanDerWaalsContact C-N 3.34Å; R369-E372 WeakPolarHBondContact CA-OE2 3.47Å; R369-E372 PolarHBondContact O-N 3.35Å; R369-S373 WeakPolarHBondContact O-CB 3.12Å; R369-S373 PolarHBondContact O-N 3.09Å |
| 370 | S | 72.6 | Confident | 79 | Confident | 80 Ų | 80 | 99.5 Ų | 99.5 | 56% | 0.559 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.2 | -40.3 | 173.8 | 178 | 0 | 0 | 0 | 0 | 111.8 | L366 S368 S374 | L366-S370 WeakPolarHBondContact O-CB 3.35Å; L366-S370 PolarHBondContact O-N 3.13Å; S368-S370 VanDerWaalsContact C-N 3.29Å; S368-S370 PolarHBondContact O-N 3.26Å; S370-S374 WeakPolarHBondContact O-CB 3.5Å; S370-S374 PolarHBondContact O-N 2.86Å |
| 371 | R | 81.3 | Confident | 78.4 | Confident | 183 Ų | 183 | 96.1 Ų | 96.1 | 69% | 0.691 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -70.6 | -40.7 | 176.2 | -170.3 | 176.5 | -173.3 | 163.5 | 1.8 | 112.7 | T367 S368 R369 S374 N375 | T367-R371 PolarHBondContact O-N 3.35Å; T367-R371 VanDerWaalsContact O-N 3.16Å; S368-R371 CarbonylContact O-C 3.54Å; S368-R371 WeakPolarHBondContact O-CA 3.29Å; S368-R371 WeakPolarHBondContact O-CB 3.46Å; S368-R371 PolarHBondContact O-N 3.2Å; R369-R371 VanDerWaalsContact C-N 3.34Å; R371-S374 PolarHBondContact O-N 2.82Å; R371-N375 VanDerWaalsContact O-CG 3.24Å; R371-N375 PolarHBondContact O-N 2.88Å; R371-N375 PolarHBondContact O-OD1 3.19Å |
| 372 | E | 80.2 | Confident | 78.1 | Confident | 100 Ų | 100 | 90.7 Ų | 90.7 | 47% | 0.467 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61 | -49.7 | 174 | -69.5 | 145.1 | -146.8 | 0 | 0 | 110.3 | S368 R369 S374 N375 S376 | S368-E372 VanDerWaalsContact C-CD 3.47Å; S368-E372 WeakPolarHBondContact CB-OE1 3.35Å; S368-E372 VanDerWaalsContact O-CD 3.24Å; S368-E372 WeakPolarHBondContact O-CG 3.37Å; S368-E372 PolarHBondContact O-N 3.43Å; S368-E372 PolarHBondContact OG-OE1 2.85Å; R369-E372 WeakPolarHBondContact CA-OE2 3.47Å; R369-E372 PolarHBondContact O-N 3.35Å; E372-S374 VanDerWaalsContact C-N 3.32Å; E372-S374 PolarHBondContact O-N 3.3Å; E372-N375 WeakPolarHBondContact O-CB 3.45Å; E372-N375 PolarHBondContact O-N 2.89Å; E372-S376 PolarHBondContact O-N 3.42Å; E372-S376 PolarHBondContact O-OG 3.38Å |
| 373 | S | 72.4 | Confident | 77.9 | Confident | 80 Ų | 80 | 92.7 Ų | 92.7 | 56% | 0.559 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.3 | -40.5 | 174.5 | -178.5 | 0 | 0 | 0 | 0 | 112.6 | R369 N375 S376 L377 | R369-S373 WeakPolarHBondContact O-CB 3.12Å; R369-S373 PolarHBondContact O-N 3.09Å; S373-N375 VanDerWaalsContact C-N 3.33Å; S373-N375 PolarHBondContact O-N 3.48Å; S373-S376 PolarHBondContact O-N 2.89Å; S373-L377 WeakPolarHBondContact O-CB 3.43Å; S373-L377 PolarHBondContact O-N 2.92Å |
| 374 | S | 73.3 | Confident | 77.4 | Confident | 73 Ų | 73 | 92.8 Ų | 92.8 | 51% | 0.51 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.8 | -32.4 | 174.1 | -172.3 | 0 | 0 | 0 | 0 | 113.3 | S370 R371 E372 S378 | S370-S374 WeakPolarHBondContact O-CB 3.5Å; S370-S374 PolarHBondContact O-N 2.86Å; R371-S374 PolarHBondContact O-N 2.82Å; E372-S374 VanDerWaalsContact C-N 3.32Å; E372-S374 PolarHBondContact O-N 3.3Å; S374-S378 PolarHBondContact O-N 3.47Å |
| 375 | N | 80.7 | Confident | 77.2 | Confident | 100 Ų | 100 | 91.2 Ų | 91.2 | 54% | 0.535 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -71.4 | -45.9 | 174.5 | -67.7 | -19.4 | 0 | 0 | 0 | 110.6 | R371 E372 S373 L377 S378 L379 | R371-N375 VanDerWaalsContact O-CG 3.24Å; R371-N375 PolarHBondContact O-N 2.88Å; R371-N375 PolarHBondContact O-OD1 3.19Å; E372-N375 WeakPolarHBondContact O-CB 3.45Å; E372-N375 PolarHBondContact O-N 2.89Å; S373-N375 VanDerWaalsContact C-N 3.33Å; S373-N375 PolarHBondContact O-N 3.48Å; N375-L377 VanDerWaalsContact C-N 3.32Å; N375-L377 PolarHBondContact O-N 2.9Å; N375-S378 WeakPolarHBondContact O-CA 3.5Å; N375-S378 WeakPolarHBondContact O-CB 3.35Å; N375-S378 PolarHBondContact O-N 2.93Å; N375-S378 VanDerWaalsContact O-N 3.08Å; N375-L379 PolarHBondContact O-N 3.01Å |
| 376 | S | 75.7 | Confident | 77.1 | Confident | 80 Ų | 80 | 95.7 Ų | 95.7 | 56% | 0.559 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.2 | -38.6 | 177.3 | -56.6 | 0 | 0 | 0 | 0 | 112.1 | E372 S373 S378 L379 A380 | E372-S376 PolarHBondContact O-N 3.42Å; E372-S376 PolarHBondContact O-OG 3.38Å; S373-S376 PolarHBondContact O-N 2.89Å; S376-S378 VanDerWaalsContact C-N 3.34Å; S376-L379 PolarHBondContact O-N 3.35Å; S376-A380 WeakPolarHBondContact O-CB 3.44Å; S376-A380 PolarHBondContact O-N 3.29Å |
| 377 | L | 71.5 | Confident | 76.7 | Confident | 110 Ų | 110 | 94 Ų | 94 | 58% | 0.576 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.2 | -42.6 | 171.6 | -177 | 63.9 | 0 | 0 | 0 | 111.4 | S373 N375 L379 A380 Q381 | S373-L377 WeakPolarHBondContact O-CB 3.43Å; S373-L377 PolarHBondContact O-N 2.92Å; N375-L377 VanDerWaalsContact C-N 3.32Å; N375-L377 PolarHBondContact O-N 2.9Å; L377-L379 VanDerWaalsContact C-N 3.3Å; L377-L379 PolarHBondContact O-N 2.88Å; L377-A380 PolarHBondContact O-N 3.38Å; L377-Q381 WeakPolarHBondContact O-CB 3.44Å; L377-Q381 PolarHBondContact O-N 3.01Å |
| 378 | S | 78.6 | Confident | 76.2 | Confident | 83 Ų | 83 | 93.3 Ų | 93.3 | 58% | 0.58 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.9 | -30.7 | 176 | -170.3 | 0 | 0 | 0 | 0 | 113.2 | S374 N375 S376 S382 | S374-S378 PolarHBondContact O-N 3.47Å; N375-S378 WeakPolarHBondContact O-CA 3.5Å; N375-S378 WeakPolarHBondContact O-CB 3.35Å; N375-S378 PolarHBondContact O-N 2.93Å; N375-S378 VanDerWaalsContact O-N 3.08Å; S376-S378 VanDerWaalsContact C-N 3.34Å; S378-S382 PolarHBondContact O-N 3.32Å |
| 379 | L | 80 | Confident | 76 | Confident | 110 Ų | 110 | 95.3 Ų | 95.3 | 58% | 0.576 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -70.6 | -52.1 | 174.8 | -163.5 | 79.5 | 0 | 0 | 0 | 110.3 | N375 S376 L377 Q381 S382 E383 | N375-L379 PolarHBondContact O-N 3.01Å; S376-L379 PolarHBondContact O-N 3.35Å; L377-L379 VanDerWaalsContact C-N 3.3Å; L377-L379 PolarHBondContact O-N 2.88Å; L379-Q381 VanDerWaalsContact C-N 3.26Å; L379-Q381 PolarHBondContact O-N 3.49Å; L379-S382 WeakPolarHBondContact O-CA 3.43Å; L379-S382 VanDerWaalsContact O-CB 3.31Å; L379-S382 WeakPolarHBondContact O-CB 3.35Å; L379-S382 PolarHBondContact O-N 3.48Å; L379-E383 PolarHBondContact O-N 3.28Å |
| 380 | A | 71.9 | Confident | 76 | Confident | 48 Ų | 48 | 95.4 Ų | 95.4 | 40% | 0.397 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.1 | -35 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S376 L377 S382 E383 L384 | S376-A380 WeakPolarHBondContact O-CB 3.44Å; S376-A380 PolarHBondContact O-N 3.29Å; L377-A380 PolarHBondContact O-N 3.38Å; A380-S382 VanDerWaalsContact C-N 3.32Å; A380-S382 PolarHBondContact O-N 3.04Å; A380-E383 PolarHBondContact O-N 2.94Å; A380-L384 VanDerWaalsContact O-CB 3.3Å; A380-L384 WeakPolarHBondContact O-CB 3.47Å; A380-L384 PolarHBondContact O-N 2.96Å |
| 381 | Q | 72.3 | Confident | 75.8 | Confident | 104 Ų | 104 | 96.2 Ų | 96.2 | 49% | 0.486 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.6 | -37.8 | 172.3 | -162.4 | 87.8 | 46.6 | 0 | 0 | 111.9 | L377 L379 N385 | L377-Q381 WeakPolarHBondContact O-CB 3.44Å; L377-Q381 PolarHBondContact O-N 3.01Å; L379-Q381 VanDerWaalsContact C-N 3.26Å; L379-Q381 PolarHBondContact O-N 3.49Å; Q381-N385 PolarHBondContact O-N 3.39Å; Q381-N385 VanDerWaalsContact O-N 3.12Å; Q381-N385 PolarHBondContact O-ND2 3.43Å |
| 382 | S | 80.1 | Confident | 75.5 | Confident | 76 Ų | 76 | 92.8 Ų | 92.8 | 53% | 0.531 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -73 | -35.6 | 176.6 | -167.7 | 0 | 0 | 0 | 0 | 112.4 | S378 L379 A380 R386 | S378-S382 PolarHBondContact O-N 3.32Å; L379-S382 WeakPolarHBondContact O-CA 3.43Å; L379-S382 VanDerWaalsContact O-CB 3.31Å; L379-S382 WeakPolarHBondContact O-CB 3.35Å; L379-S382 PolarHBondContact O-N 3.48Å; A380-S382 VanDerWaalsContact C-N 3.32Å; A380-S382 PolarHBondContact O-N 3.04Å; S382-R386 PolarHBondContact O-N 3.48Å |
| 383 | E | 78.5 | Confident | 75.4 | Confident | 117 Ų | 117 | 93.5 Ų | 93.5 | 55% | 0.547 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.2 | -42.2 | 175.1 | -69 | 173 | 162.6 | 0 | 0 | 111.4 | L379 A380 N385 R386 A387 | L379-E383 PolarHBondContact O-N 3.28Å; A380-E383 PolarHBondContact O-N 2.94Å; E383-N385 VanDerWaalsContact C-N 3.33Å; E383-N385 PolarHBondContact O-N 3Å; E383-R386 PolarHBondContact O-N 3.41Å; E383-A387 WeakPolarHBondContact O-CB 3.41Å; E383-A387 PolarHBondContact O-N 3.42Å |
| 384 | L | 69.6 | Low | 75.4 | Confident | 93 Ų | 93 | 94 Ų | 94 | 49% | 0.487 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.5 | -42.4 | 173 | -179.7 | 62.4 | 0 | 0 | 0 | 111.7 | A380 A387 N388 | A380-L384 VanDerWaalsContact O-CB 3.3Å; A380-L384 WeakPolarHBondContact O-CB 3.47Å; A380-L384 PolarHBondContact O-N 2.96Å; L384-A387 PolarHBondContact O-N 2.88Å; L384-N388 WeakPolarHBondContact O-CB 3.49Å; L384-N388 VanDerWaalsContact O-CG 3.25Å; L384-N388 PolarHBondContact O-N 3.49Å; L384-N388 PolarHBondContact O-ND2 2.92Å |
| 385 | N | 79.3 | Confident | 75.3 | Confident | 82 Ų | 82 | 93.5 Ų | 93.5 | 44% | 0.439 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.9 | -45.6 | 174.3 | -70.7 | -18.3 | 0 | 0 | 0 | 111.6 | Q381 E383 A387 N388 D389 | Q381-N385 PolarHBondContact O-N 3.39Å; Q381-N385 VanDerWaalsContact O-N 3.12Å; Q381-N385 PolarHBondContact O-ND2 3.43Å; E383-N385 VanDerWaalsContact C-N 3.33Å; E383-N385 PolarHBondContact O-N 3Å; N385-A387 VanDerWaalsContact C-N 3.28Å; N385-A387 PolarHBondContact O-N 3.11Å; N385-N388 PolarHBondContact O-N 3.12Å; N385-D389 VanDerWaalsContact O-CG 3.31Å; N385-D389 PolarHBondContact O-N 3.35Å |
| 386 | R | 79.1 | Confident | 75.3 | Confident | 181 Ų | 181 | 95.1 Ų | 95.1 | 68% | 0.683 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.9 | -36.3 | 175.5 | 176.1 | 178.6 | 170.7 | 138 | -1 | 112.5 | S382 E383 Q390 | S382-R386 PolarHBondContact O-N 3.48Å; E383-R386 PolarHBondContact O-N 3.41Å; R386-Q390 PolarHBondContact O-N 3.14Å; R386-Q390 VanDerWaalsContact O-N 3.12Å |
| 387 | A | 69.9 | Low | 75.5 | Confident | 43 Ų | 43 | 96.3 Ų | 96.3 | 36% | 0.355 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.9 | -42.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | E383 L384 N385 Q390 I391 | E383-A387 WeakPolarHBondContact O-CB 3.41Å; E383-A387 PolarHBondContact O-N 3.42Å; L384-A387 PolarHBondContact O-N 2.88Å; N385-A387 VanDerWaalsContact C-N 3.28Å; N385-A387 PolarHBondContact O-N 3.11Å; A387-Q390 CarbonylContact O-C 3.56Å; A387-Q390 WeakPolarHBondContact O-CA 3.45Å; A387-Q390 WeakPolarHBondContact O-CB 3.32Å; A387-Q390 PolarHBondContact O-N 3.48Å; A387-Q390 VanDerWaalsContact O-N 3.09Å; A387-I391 WeakPolarHBondContact O-CG1 3.08Å; A387-I391 PolarHBondContact O-N 2.87Å |
| 388 | N | 69.8 | Low | 75.3 | Confident | 78 Ų | 78 | 96 Ų | 96 | 42% | 0.417 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.9 | -43.9 | 173.4 | -71.1 | -28.8 | 0 | 0 | 0 | 111.7 | L384 N385 Q390 I391 E392 | L384-N388 WeakPolarHBondContact O-CB 3.49Å; L384-N388 VanDerWaalsContact O-CG 3.25Å; L384-N388 PolarHBondContact O-N 3.49Å; L384-N388 PolarHBondContact O-ND2 2.92Å; N385-N388 PolarHBondContact O-N 3.12Å; N388-Q390 PolarHBondContact O-N 2.95Å; N388-I391 PolarHBondContact O-N 2.91Å; N388-E392 PolarHBondContact O-N 3.46Å |
| 389 | D | 80.2 | Confident | 75.5 | Confident | 91 Ų | 91 | 99.6 Ų | 99.6 | 49% | 0.487 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.5 | -34 | 173.8 | -64.3 | -22.7 | 0 | 0 | 0 | 111.8 | N385 R393 | N385-D389 VanDerWaalsContact O-CG 3.31Å; N385-D389 PolarHBondContact O-N 3.35Å; D389-R393 WeakPolarHBondContact O-CG 2.99Å; D389-R393 VanDerWaalsContact O-CZ 3.29Å; D389-R393 PolarHBondContact O-N 3.23Å; D389-R393 VanDerWaalsContact O-N 3.13Å; D389-R393 PolarHBondContact O-NH1 3.28Å; D389-R393 VanDerWaalsContact O-NH1 3.09Å |
| 390 | Q | 79.3 | Confident | 75.6 | Confident | 91 Ų | 91 | 98.6 Ų | 98.6 | 43% | 0.425 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -74.8 | -40 | 176.8 | -175.5 | 167.4 | -21.9 | 0 | 0 | 112.2 | R386 A387 N388 E392 R393 L394 | R386-Q390 PolarHBondContact O-N 3.14Å; R386-Q390 VanDerWaalsContact O-N 3.12Å; A387-Q390 CarbonylContact O-C 3.56Å; A387-Q390 WeakPolarHBondContact O-CA 3.45Å; A387-Q390 WeakPolarHBondContact O-CB 3.32Å; A387-Q390 PolarHBondContact O-N 3.48Å; A387-Q390 VanDerWaalsContact O-N 3.09Å; N388-Q390 PolarHBondContact O-N 2.95Å; Q390-E392 VanDerWaalsContact C-N 3.32Å; Q390-R393 VanDerWaalsContact CA-NH2 3.34Å; Q390-R393 PolarHBondContact O-N 3.28Å; Q390-L394 HydrophobicContact CG-CD1 4.15Å; Q390-L394 WeakPolarHBondContact O-CB 3.44Å; Q390-L394 WeakPolarHBondContact O-CG 3.47Å; Q390-L394 PolarHBondContact O-N 3.46Å |
| 391 | I | 68.9 | Low | 75.8 | Confident | 98 Ų | 98 | 99.6 Ų | 99.6 | 50% | 0.503 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.9 | -40.2 | 172.9 | -68.3 | 164 | 0 | 0 | 0 | 110.2 | A387 N388 L394 T395 | A387-I391 WeakPolarHBondContact O-CG1 3.08Å; A387-I391 PolarHBondContact O-N 2.87Å; N388-I391 PolarHBondContact O-N 2.91Å; I391-L394 PolarHBondContact O-N 3.25Å; I391-T395 VanDerWaalsContact O-CB 3.27Å; I391-T395 WeakPolarHBondContact O-CB 3.27Å; I391-T395 PolarHBondContact O-N 2.87Å; I391-T395 PolarHBondContact O-OG1 3.41Å |
| 392 | E | 75.2 | Confident | 75.9 | Confident | 111 Ų | 111 | 99.4 Ų | 99.4 | 52% | 0.519 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.5 | -37.8 | 177 | -151.1 | -148.4 | 111.8 | 0 | 0 | 112.4 | N388 Q390 R396 | N388-E392 PolarHBondContact O-N 3.46Å; Q390-E392 VanDerWaalsContact C-N 3.32Å; E392-R396 WeakPolarHBondContact O-CB 3.46Å; E392-R396 PolarHBondContact O-N 3.07Å; E392-R396 IonicContact OE1-CZ 3.78Å; E392-R396 IonicContact OE1-NE 3.25Å; E392-R396 IonicContact OE1-NH2 3.88Å; E392-R396 PolarHBondContact OE1-NH2 3.26Å |
| 393 | R | 77.9 | Confident | 76.1 | Confident | 114 Ų | 114 | 100.9 Ų | 100.9 | 43% | 0.43 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.9 | -52.3 | 170.5 | -77 | -174.2 | -63.6 | -82.6 | 2.4 | 111.6 | D389 Q390 T395 R396 E397 | D389-R393 WeakPolarHBondContact O-CG 2.99Å; D389-R393 VanDerWaalsContact O-CZ 3.29Å; D389-R393 PolarHBondContact O-N 3.23Å; D389-R393 VanDerWaalsContact O-N 3.13Å; D389-R393 PolarHBondContact O-NH1 3.28Å; D389-R393 VanDerWaalsContact O-NH1 3.09Å; Q390-R393 VanDerWaalsContact CA-NH2 3.34Å; Q390-R393 PolarHBondContact O-N 3.28Å; R393-T395 VanDerWaalsContact C-N 3.3Å; R393-T395 PolarHBondContact O-N 3.28Å; R393-R396 WeakPolarHBondContact O-CA 3.5Å; R393-R396 WeakPolarHBondContact O-CB 3.33Å; R393-R396 PolarHBondContact O-N 3.46Å; R393-E397 WeakPolarHBondContact O-CG 3.33Å; R393-E397 PolarHBondContact O-N 2.91Å |
| 394 | L | 70.8 | Confident | 76.2 | Confident | 92 Ų | 92 | 101.7 Ų | 101.7 | 48% | 0.482 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.1 | -36.2 | 179.3 | -69.7 | 169.4 | 0 | 0 | 0 | 112.4 | Q390 I391 R396 E397 L398 | Q390-L394 HydrophobicContact CG-CD1 4.15Å; Q390-L394 WeakPolarHBondContact O-CB 3.44Å; Q390-L394 WeakPolarHBondContact O-CG 3.47Å; Q390-L394 PolarHBondContact O-N 3.46Å; I391-L394 PolarHBondContact O-N 3.25Å; L394-R396 VanDerWaalsContact C-N 3.3Å; L394-R396 PolarHBondContact O-N 3.48Å; L394-E397 PolarHBondContact O-N 3.35Å; L394-L398 VanDerWaalsContact O-CB 3.25Å; L394-L398 WeakPolarHBondContact O-CB 3.45Å; L394-L398 PolarHBondContact O-N 3.19Å |
| 395 | T | 71.5 | Confident | 76.5 | Confident | 62 Ų | 62 | 102.8 Ų | 102.8 | 38% | 0.38 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.4 | -31.7 | 175.3 | -57 | 0 | 0 | 0 | 0 | 111.8 | I391 R393 R399 | I391-T395 VanDerWaalsContact O-CB 3.27Å; I391-T395 WeakPolarHBondContact O-CB 3.27Å; I391-T395 PolarHBondContact O-N 2.87Å; I391-T395 PolarHBondContact O-OG1 3.41Å; R393-T395 VanDerWaalsContact C-N 3.3Å; R393-T395 PolarHBondContact O-N 3.28Å; T395-R399 WeakPolarHBondContact O-CB 3.31Å; T395-R399 PolarHBondContact O-N 3.03Å |
| 396 | R | 81.9 | Confident | 76.2 | Confident | 133 Ų | 133 | 101.6 Ų | 101.6 | 50% | 0.502 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -74.3 | -46.7 | 175 | -170.5 | -177.1 | -59.4 | -131.5 | 1.5 | 111.1 | E392 R393 L394 L398 R399 E400 | E392-R396 WeakPolarHBondContact O-CB 3.46Å; E392-R396 PolarHBondContact O-N 3.07Å; E392-R396 IonicContact OE1-CZ 3.78Å; E392-R396 IonicContact OE1-NE 3.25Å; E392-R396 IonicContact OE1-NH2 3.88Å; E392-R396 PolarHBondContact OE1-NH2 3.26Å; R393-R396 WeakPolarHBondContact O-CA 3.5Å; R393-R396 WeakPolarHBondContact O-CB 3.33Å; R393-R396 PolarHBondContact O-N 3.46Å; L394-R396 VanDerWaalsContact C-N 3.3Å; L394-R396 PolarHBondContact O-N 3.48Å; R396-L398 VanDerWaalsContact C-N 3.35Å; R396-L398 PolarHBondContact O-N 3.12Å; R396-R399 PolarHBondContact O-N 2.97Å; R396-E400 WeakPolarHBondContact O-CG 3.44Å; R396-E400 PolarHBondContact O-N 2.87Å |
| 397 | E | 79.2 | Confident | 76.4 | Confident | 105 Ų | 105 | 96.9 Ų | 96.9 | 49% | 0.491 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.4 | -41.9 | 175.1 | -71.4 | 163.4 | -152.7 | 0 | 0 | 111.8 | R393 L394 E400 S401 | R393-E397 WeakPolarHBondContact O-CG 3.33Å; R393-E397 PolarHBondContact O-N 2.91Å; L394-E397 PolarHBondContact O-N 3.35Å; E397-E400 PolarHBondContact O-N 2.75Å; E397-S401 WeakPolarHBondContact O-CB 3.36Å; E397-S401 PolarHBondContact O-N 2.97Å |
| 398 | L | 67.9 | Low | 76.6 | Confident | 105 Ų | 105 | 101.2 Ų | 101.2 | 55% | 0.55 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.5 | -49.5 | 173.2 | -177.1 | 67.5 | 0 | 0 | 0 | 111.2 | L394 R396 E400 S401 E402 | L394-L398 VanDerWaalsContact O-CB 3.25Å; L394-L398 WeakPolarHBondContact O-CB 3.45Å; L394-L398 PolarHBondContact O-N 3.19Å; R396-L398 VanDerWaalsContact C-N 3.35Å; R396-L398 PolarHBondContact O-N 3.12Å; L398-E400 VanDerWaalsContact C-N 3.33Å; L398-E400 PolarHBondContact O-N 2.65Å; L398-S401 CarbonylContact O-C 3.53Å; L398-S401 WeakPolarHBondContact O-CA 3.48Å; L398-S401 WeakPolarHBondContact O-CB 3.15Å; L398-S401 PolarHBondContact O-N 3.34Å; L398-E402 WeakPolarHBondContact O-CG 3.49Å; L398-E402 PolarHBondContact O-N 3.42Å |
| 399 | R | 82.3 | Confident | 77.1 | Confident | 158 Ų | 158 | 101.9 Ų | 101.9 | 60% | 0.596 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.2 | -37.9 | 178.6 | -171.2 | -176.8 | -59.9 | 136.1 | 6.1 | 112.6 | T395 R396 Q403 | T395-R399 WeakPolarHBondContact O-CB 3.31Å; T395-R399 PolarHBondContact O-N 3.03Å; R396-R399 PolarHBondContact O-N 2.97Å; R399-Q403 PolarHBondContact O-N 2.94Å |
| 400 | E | 82.3 | Confident | 77.1 | Confident | 88 Ų | 88 | 101.1 Ų | 101.1 | 41% | 0.411 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -69.2 | -34.4 | 172.7 | -68.5 | -178.2 | -157.6 | 0 | 0 | 112.3 | R396 E397 L398 Q403 R404 | R396-E400 WeakPolarHBondContact O-CG 3.44Å; R396-E400 PolarHBondContact O-N 2.87Å; E397-E400 PolarHBondContact O-N 2.75Å; L398-E400 VanDerWaalsContact C-N 3.33Å; L398-E400 PolarHBondContact O-N 2.65Å; E400-Q403 PolarHBondContact O-N 2.87Å; E400-R404 VanDerWaalsContact CB-NH1 3.27Å; E400-R404 WeakPolarHBondContact O-CB 3.2Å; E400-R404 VanDerWaalsContact O-CG 3.27Å; E400-R404 WeakPolarHBondContact O-CG 3.34Å; E400-R404 PolarHBondContact O-N 3.04Å; E400-R404 IonicContact OE2-CZ 3.66Å; E400-R404 IonicContact OE2-NH1 3.86Å; E400-R404 PolarHBondContact OE2-NH1 2.89Å; E400-R404 IonicContact OE2-NH2 2.62Å; E400-R404 PolarHBondContact OE2-NH2 3.49Å |
| 401 | S | 75.5 | Confident | 77.3 | Confident | 70 Ų | 70 | 101.4 Ų | 101.4 | 49% | 0.49 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.8 | -39.1 | 174.1 | -165.7 | 0 | 0 | 0 | 0 | 111.8 | E397 L398 R404 R405 | E397-S401 WeakPolarHBondContact O-CB 3.36Å; E397-S401 PolarHBondContact O-N 2.97Å; L398-S401 CarbonylContact O-C 3.53Å; L398-S401 WeakPolarHBondContact O-CA 3.48Å; L398-S401 WeakPolarHBondContact O-CB 3.15Å; L398-S401 PolarHBondContact O-N 3.34Å; S401-R404 PolarHBondContact O-N 2.89Å; S401-R405 PolarHBondContact O-N 3.2Å |
| 402 | E | 75.2 | Confident | 77.4 | Confident | 100 Ų | 100 | 98.8 Ų | 98.8 | 47% | 0.467 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 172 | -71.6 | -179.3 | 137.4 | 0 | 0 | 111.5 | L398 R405 T406 | L398-E402 WeakPolarHBondContact O-CG 3.49Å; L398-E402 PolarHBondContact O-N 3.42Å; E402-R405 WeakPolarHBondContact O-CB 3.37Å; E402-R405 PolarHBondContact O-N 3.46Å; E402-T406 PolarHBondContact O-N 2.92Å; E402-T406 PolarHBondContact O-OG1 3.23Å |
| 403 | Q | 83.6 | Confident | 77.7 | Confident | 107 Ų | 107 | 96.6 Ų | 96.6 | 50% | 0.5 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.9 | -46.1 | 174.6 | -173.4 | 64.6 | 56.2 | 0 | 0 | 111.5 | R399 E400 R405 T406 D407 | R399-Q403 PolarHBondContact O-N 2.94Å; E400-Q403 PolarHBondContact O-N 2.87Å; Q403-R405 VanDerWaalsContact C-N 3.27Å; Q403-R405 PolarHBondContact O-N 3.34Å; Q403-T406 WeakPolarHBondContact CA-OG1 3.15Å; Q403-T406 PolarHBondContact NE2-OG1 2.87Å; Q403-T406 PolarHBondContact O-N 3.04Å; Q403-T406 VanDerWaalsContact O-N 3.15Å; Q403-T406 PolarHBondContact O-OG1 2.68Å; Q403-D407 PolarHBondContact NE2-OD1 3.03Å; Q403-D407 WeakPolarHBondContact O-CB 3.38Å; Q403-D407 PolarHBondContact O-N 2.84Å |
| 404 | R | 80.5 | Confident | 78.1 | Confident | 134 Ų | 134 | 93.3 Ų | 93.3 | 51% | 0.506 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59 | -38.3 | 175.3 | -72.9 | 172.3 | -168.8 | 109 | 9.9 | 111.9 | E400 S401 Q408 | E400-R404 VanDerWaalsContact CB-NH1 3.27Å; E400-R404 WeakPolarHBondContact O-CB 3.2Å; E400-R404 VanDerWaalsContact O-CG 3.27Å; E400-R404 WeakPolarHBondContact O-CG 3.34Å; E400-R404 PolarHBondContact O-N 3.04Å; E400-R404 IonicContact OE2-CZ 3.66Å; E400-R404 IonicContact OE2-NH1 3.86Å; E400-R404 PolarHBondContact OE2-NH1 2.89Å; E400-R404 IonicContact OE2-NH2 2.62Å; E400-R404 PolarHBondContact OE2-NH2 3.49Å; S401-R404 PolarHBondContact O-N 2.89Å; R404-Q408 WeakPolarHBondContact O-CB 3.24Å; R404-Q408 VanDerWaalsContact O-CG 3.27Å; R404-Q408 WeakPolarHBondContact O-CG 3.22Å; R404-Q408 PolarHBondContact O-N 3.36Å |
| 405 | R | 76.2 | Confident | 78.3 | Confident | 115 Ų | 115 | 93.4 Ų | 93.4 | 43% | 0.434 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.4 | -45.8 | 173.6 | -174.9 | -177.9 | 61.2 | 76.1 | 8.3 | 111.6 | S401 E402 Q403 D407 Q408 E409 | S401-R405 PolarHBondContact O-N 3.2Å; E402-R405 WeakPolarHBondContact O-CB 3.37Å; E402-R405 PolarHBondContact O-N 3.46Å; Q403-R405 VanDerWaalsContact C-N 3.27Å; Q403-R405 PolarHBondContact O-N 3.34Å; R405-D407 VanDerWaalsContact C-N 3.31Å; R405-D407 PolarHBondContact O-N 3.47Å; R405-Q408 PolarHBondContact O-N 2.98Å; R405-E409 HydrophobicContact CG-CG 4.46Å; R405-E409 WeakPolarHBondContact CG-OE1 3.44Å; R405-E409 IonicContact CZ-OE1 2.69Å; R405-E409 IonicContact CZ-OE2 2.74Å; R405-E409 IonicContact NH1-OE1 3.67Å; R405-E409 PolarHBondContact NH1-OE1 3.46Å; R405-E409 IonicContact NH1-OE2 3.44Å; R405-E409 PolarHBondContact NH1-OE2 3.11Å; R405-E409 WeakPolarHBondContact O-CB 3.43Å; R405-E409 WeakPolarHBondContact O-CG 3.49Å; R405-E409 PolarHBondContact O-N 3.15Å |
| 406 | T | 73 | Confident | 78.7 | Confident | 57 Ų | 57 | 95.8 Ų | 95.8 | 35% | 0.35 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.8 | -34.1 | 177.6 | 52 | 0 | 0 | 0 | 0 | 112.6 | E402 Q403 E409 S410 | E402-T406 PolarHBondContact O-N 2.92Å; E402-T406 PolarHBondContact O-OG1 3.23Å; Q403-T406 WeakPolarHBondContact CA-OG1 3.15Å; Q403-T406 PolarHBondContact NE2-OG1 2.87Å; Q403-T406 PolarHBondContact O-N 3.04Å; Q403-T406 VanDerWaalsContact O-N 3.15Å; Q403-T406 PolarHBondContact O-OG1 2.68Å; T406-E409 PolarHBondContact O-N 2.77Å; T406-S410 WeakPolarHBondContact O-CB 3.47Å; T406-S410 PolarHBondContact O-N 3.48Å |
| 407 | D | 84.3 | Confident | 78.7 | Confident | 82 Ų | 82 | 95.3 Ų | 95.3 | 44% | 0.439 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.7 | -44.3 | 175.2 | -64.2 | -11.5 | 0 | 0 | 0 | 110.2 | Q403 R405 S410 L411 | Q403-D407 PolarHBondContact NE2-OD1 3.03Å; Q403-D407 WeakPolarHBondContact O-CB 3.38Å; Q403-D407 PolarHBondContact O-N 2.84Å; R405-D407 VanDerWaalsContact C-N 3.31Å; R405-D407 PolarHBondContact O-N 3.47Å; D407-S410 PolarHBondContact O-N 3.28Å; D407-S410 PolarHBondContact O-OG 3.07Å; D407-L411 PolarHBondContact O-N 2.98Å |
| 408 | Q | 74.3 | Confident | 78.9 | Confident | 135 Ų | 135 | 96.8 Ų | 96.8 | 63% | 0.631 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.7 | -42.2 | 173.8 | -76.1 | 174.5 | -7.9 | 0 | 0 | 112.8 | R404 R405 L411 A412 | R404-Q408 WeakPolarHBondContact O-CB 3.24Å; R404-Q408 VanDerWaalsContact O-CG 3.27Å; R404-Q408 WeakPolarHBondContact O-CG 3.22Å; R404-Q408 PolarHBondContact O-N 3.36Å; R405-Q408 PolarHBondContact O-N 2.98Å; Q408-L411 PolarHBondContact O-N 3.34Å; Q408-A412 WeakPolarHBondContact O-CB 3.43Å; Q408-A412 PolarHBondContact O-N 3.34Å |
| 409 | E | 80.4 | Confident | 79.5 | Confident | 91 Ų | 91 | 99.3 Ų | 99.3 | 43% | 0.425 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.6 | -41 | 175.4 | -75.8 | 167.2 | -176.9 | 0 | 0 | 111.1 | R405 T406 L411 A412 T413 | R405-E409 HydrophobicContact CG-CG 4.46Å; R405-E409 WeakPolarHBondContact CG-OE1 3.44Å; R405-E409 IonicContact CZ-OE1 2.69Å; R405-E409 IonicContact CZ-OE2 2.74Å; R405-E409 IonicContact NH1-OE1 3.67Å; R405-E409 PolarHBondContact NH1-OE1 3.46Å; R405-E409 IonicContact NH1-OE2 3.44Å; R405-E409 PolarHBondContact NH1-OE2 3.11Å; R405-E409 WeakPolarHBondContact O-CB 3.43Å; R405-E409 WeakPolarHBondContact O-CG 3.49Å; R405-E409 PolarHBondContact O-N 3.15Å; T406-E409 PolarHBondContact O-N 2.77Å; E409-L411 VanDerWaalsContact C-N 3.31Å; E409-L411 PolarHBondContact O-N 2.68Å; E409-A412 PolarHBondContact O-N 2.92Å; E409-T413 PolarHBondContact O-N 2.9Å; E409-T413 PolarHBondContact O-OG1 3.46Å |
| 410 | S | 79.1 | Confident | 79.4 | Confident | 76 Ų | 76 | 95.8 Ų | 95.8 | 53% | 0.531 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63 | -36.5 | 173.8 | 84.1 | 0 | 0 | 0 | 0 | 112.6 | T406 D407 S414 | T406-S410 WeakPolarHBondContact O-CB 3.47Å; T406-S410 PolarHBondContact O-N 3.48Å; D407-S410 PolarHBondContact O-N 3.28Å; D407-S410 PolarHBondContact O-OG 3.07Å; S410-S414 WeakPolarHBondContact O-CB 3.45Å; S410-S414 PolarHBondContact O-N 3.47Å |
| 411 | L | 82.7 | Confident | 79.4 | Confident | 96 Ų | 96 | 94.9 Ų | 94.9 | 50% | 0.503 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -70.6 | -41.3 | 175.8 | 179.3 | 60.2 | 0 | 0 | 0 | 111.6 | D407 Q408 E409 S414 L415 | D407-L411 PolarHBondContact O-N 2.98Å; Q408-L411 PolarHBondContact O-N 3.34Å; E409-L411 VanDerWaalsContact C-N 3.31Å; E409-L411 PolarHBondContact O-N 2.68Å; L411-S414 WeakPolarHBondContact O-CB 3.29Å; L411-S414 PolarHBondContact O-N 3.3Å; L411-L415 HydrophobicContact CD1-CD1 4.43Å; L411-L415 HydrophobicContact CD1-CG 4.44Å; L411-L415 HydrophobicContact CG-CD1 4.28Å; L411-L415 WeakPolarHBondContact O-CG 3.27Å; L411-L415 PolarHBondContact O-N 3.27Å |
| 412 | A | 72.8 | Confident | 79.8 | Confident | 44 Ų | 44 | 94 Ų | 94 | 36% | 0.364 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.7 | -53.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q408 E409 S414 L415 E416 | Q408-A412 WeakPolarHBondContact O-CB 3.43Å; Q408-A412 PolarHBondContact O-N 3.34Å; E409-A412 PolarHBondContact O-N 2.92Å; A412-S414 PolarHBondContact O-N 3.24Å; A412-L415 WeakPolarHBondContact O-CA 3.17Å; A412-L415 WeakPolarHBondContact O-CB 3.38Å; A412-L415 PolarHBondContact O-N 3.13Å; A412-E416 WeakPolarHBondContact O-CG 3.23Å; A412-E416 PolarHBondContact O-N 3.08Å |
| 413 | T | 80 | Confident | 80 | Confident | 65 Ų | 65 | 93.4 Ų | 93.4 | 40% | 0.399 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.7 | -31.8 | 175.7 | -59.2 | 0 | 0 | 0 | 0 | 112.5 | E409 E416 Q417 | E409-T413 PolarHBondContact O-N 2.9Å; E409-T413 PolarHBondContact O-OG1 3.46Å; T413-E416 WeakPolarHBondContact CA-OE2 3.5Å; T413-Q417 HydrophobicContact CG2-CG 4.48Å; T413-Q417 WeakPolarHBondContact O-CB 3.48Å; T413-Q417 VanDerWaalsContact O-CG 3.22Å; T413-Q417 WeakPolarHBondContact O-CG 3.42Å; T413-Q417 PolarHBondContact O-N 2.95Å |
| 414 | S | 85.8 | Confident | 80 | Confident | 45 Ų | 45 | 96.3 Ų | 96.3 | 32% | 0.315 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -68.6 | -30.4 | 172.6 | -175.5 | 0 | 0 | 0 | 0 | 113.5 | S410 L411 A412 R418 | S410-S414 WeakPolarHBondContact O-CB 3.45Å; S410-S414 PolarHBondContact O-N 3.47Å; L411-S414 WeakPolarHBondContact O-CB 3.29Å; L411-S414 PolarHBondContact O-N 3.3Å; A412-S414 PolarHBondContact O-N 3.24Å; S414-R418 WeakPolarHBondContact O-CB 3.3Å; S414-R418 WeakPolarHBondContact O-CG 3.11Å; S414-R418 PolarHBondContact O-N 2.96Å; S414-R418 PolarHBondContact O-NE 2.88Å; S414-R418 PolarHBondContact OG-NH2 3.37Å |
| 415 | L | 76.7 | Confident | 80.2 | Confident | 94 Ų | 94 | 95.8 Ų | 95.8 | 49% | 0.492 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -78.7 | -42.1 | 174.3 | -70.7 | 168.5 | 0 | 0 | 0 | 111.2 | L411 A412 Q417 R418 Y419 | L411-L415 HydrophobicContact CD1-CD1 4.43Å; L411-L415 HydrophobicContact CD1-CG 4.44Å; L411-L415 HydrophobicContact CG-CD1 4.28Å; L411-L415 WeakPolarHBondContact O-CG 3.27Å; L411-L415 PolarHBondContact O-N 3.27Å; A412-L415 WeakPolarHBondContact O-CA 3.17Å; A412-L415 WeakPolarHBondContact O-CB 3.38Å; A412-L415 PolarHBondContact O-N 3.13Å; L415-Q417 PolarHBondContact O-N 2.94Å; L415-R418 PolarHBondContact O-N 3.28Å; L415-R418 VanDerWaalsContact O-N 3.17Å; L415-Y419 WeakPolarHBondContact O-CB 3.47Å; L415-Y419 PolarHBondContact O-N 2.94Å |
| 416 | E | 78.1 | Confident | 80.6 | Confident | 112 Ų | 112 | 95.9 Ų | 95.9 | 52% | 0.523 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.1 | -46.5 | 172.3 | -69.2 | 169.3 | 166.3 | 0 | 0 | 111.6 | A412 T413 R418 Y419 L420 | A412-E416 WeakPolarHBondContact O-CG 3.23Å; A412-E416 PolarHBondContact O-N 3.08Å; T413-E416 WeakPolarHBondContact CA-OE2 3.5Å; E416-R418 VanDerWaalsContact C-N 3.35Å; E416-R418 PolarHBondContact O-N 2.86Å; E416-Y419 PolarHBondContact O-N 2.83Å; E416-L420 WeakPolarHBondContact O-CB 3.14Å; E416-L420 WeakPolarHBondContact O-CG 3.35Å; E416-L420 PolarHBondContact O-N 2.76Å |
| 417 | Q | 82.2 | Confident | 81.1 | Confident | 122 Ų | 122 | 97.5 Ų | 97.5 | 57% | 0.57 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.3 | -40.2 | 175.5 | -75.3 | 176.7 | 16.7 | 0 | 0 | 112.2 | T413 L415 L420 V421 | T413-Q417 HydrophobicContact CG2-CG 4.48Å; T413-Q417 WeakPolarHBondContact O-CB 3.48Å; T413-Q417 VanDerWaalsContact O-CG 3.22Å; T413-Q417 WeakPolarHBondContact O-CG 3.42Å; T413-Q417 PolarHBondContact O-N 2.95Å; L415-Q417 PolarHBondContact O-N 2.94Å; Q417-L420 PolarHBondContact O-N 3.09Å; Q417-V421 WeakPolarHBondContact O-CG2 3.42Å; Q417-V421 PolarHBondContact O-N 3.43Å |
| 418 | R | 84.1 | Confident | 81 | Confident | 136 Ų | 136 | 96.9 Ų | 96.9 | 51% | 0.513 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67 | -39.6 | 175.8 | -83.9 | 177.8 | -84.7 | 174.6 | -9.5 | 112.3 | S414 L415 E416 V421 A422 | S414-R418 WeakPolarHBondContact O-CB 3.3Å; S414-R418 WeakPolarHBondContact O-CG 3.11Å; S414-R418 PolarHBondContact O-N 2.96Å; S414-R418 PolarHBondContact O-NE 2.88Å; S414-R418 PolarHBondContact OG-NH2 3.37Å; L415-R418 PolarHBondContact O-N 3.28Å; L415-R418 VanDerWaalsContact O-N 3.17Å; E416-R418 VanDerWaalsContact C-N 3.35Å; E416-R418 PolarHBondContact O-N 2.86Å; R418-V421 PolarHBondContact O-N 3.04Å; R418-A422 WeakPolarHBondContact O-CB 3.46Å; R418-A422 PolarHBondContact O-N 3.37Å |
| 419 | Y | 80 | Confident | 81.2 | Confident | 159 Ų | 159 | 92.9 Ų | 92.9 | 62% | 0.624 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.9 | -46.1 | 173.9 | -176.9 | -94 | 0 | 0 | 0 | 111.4 | L415 E416 V421 A422 Q423 | L415-Y419 WeakPolarHBondContact O-CB 3.47Å; L415-Y419 PolarHBondContact O-N 2.94Å; E416-Y419 PolarHBondContact O-N 2.83Å; Y419-V421 VanDerWaalsContact C-N 3.31Å; Y419-V421 PolarHBondContact O-N 3.45Å; Y419-A422 PolarHBondContact O-N 3.25Å; Y419-Q423 WeakPolarHBondContact O-CB 3.48Å; Y419-Q423 PolarHBondContact O-N 2.99Å |
| 420 | L | 79.8 | Confident | 81.4 | Confident | 84 Ų | 84 | 92.5 Ų | 92.5 | 44% | 0.44 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.2 | -33.3 | 175.1 | -80.5 | 162.9 | 0 | 0 | 0 | 113.4 | E416 Q417 R424 | E416-L420 WeakPolarHBondContact O-CB 3.14Å; E416-L420 WeakPolarHBondContact O-CG 3.35Å; E416-L420 PolarHBondContact O-N 2.76Å; Q417-L420 PolarHBondContact O-N 3.09Å; L420-R424 WeakPolarHBondContact O-CD 3.32Å; L420-R424 VanDerWaalsContact O-CG 3.24Å; L420-R424 WeakPolarHBondContact O-CG 3.48Å; L420-R424 PolarHBondContact O-N 3.4Å |
| 421 | V | 82.8 | Confident | 81.6 | Confident | 69 Ų | 69 | 92.3 Ų | 92.3 | 42% | 0.418 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -70.2 | -50.3 | 172 | 169.1 | 0 | 0 | 0 | 0 | 110.5 | Q417 R418 Y419 Q423 R424 E425 | Q417-V421 WeakPolarHBondContact O-CG2 3.42Å; Q417-V421 PolarHBondContact O-N 3.43Å; R418-V421 PolarHBondContact O-N 3.04Å; Y419-V421 VanDerWaalsContact C-N 3.31Å; Y419-V421 PolarHBondContact O-N 3.45Å; V421-Q423 VanDerWaalsContact C-N 3.28Å; V421-Q423 PolarHBondContact O-N 3.13Å; V421-R424 WeakPolarHBondContact O-CB 3.46Å; V421-R424 PolarHBondContact O-N 3.13Å; V421-E425 HydrophobicContact CG1-CG 4.39Å; V421-E425 WeakPolarHBondContact O-CG 3.38Å; V421-E425 PolarHBondContact O-N 3.01Å |
| 422 | A | 85.2 | Confident | 81.5 | Confident | 51 Ų | 51 | 92.6 Ų | 92.6 | 42% | 0.421 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.3 | -37.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R418 Y419 E425 L426 | R418-A422 WeakPolarHBondContact O-CB 3.46Å; R418-A422 PolarHBondContact O-N 3.37Å; Y419-A422 PolarHBondContact O-N 3.25Å; A422-E425 PolarHBondContact O-N 3.1Å; A422-L426 WeakPolarHBondContact O-CB 3.41Å; A422-L426 PolarHBondContact O-N 3.36Å |
| 423 | Q | 78.5 | Confident | 82 | Confident | 88 Ų | 88 | 92.7 Ų | 92.7 | 41% | 0.411 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -69 | -34.5 | 176 | -165.3 | 175.2 | 15.7 | 0 | 0 | 112.3 | Y419 V421 N427 | Y419-Q423 WeakPolarHBondContact O-CB 3.48Å; Y419-Q423 PolarHBondContact O-N 2.99Å; V421-Q423 VanDerWaalsContact C-N 3.28Å; V421-Q423 PolarHBondContact O-N 3.13Å; Q423-N427 WeakPolarHBondContact O-CB 3.25Å; Q423-N427 PolarHBondContact O-N 2.89Å; Q423-N427 PolarHBondContact O-OD1 3.24Å |
| 424 | R | 83.4 | Confident | 82.2 | Confident | 167 Ų | 167 | 92.6 Ų | 92.6 | 63% | 0.63 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -69.2 | -41.6 | 171.6 | -71.5 | 166.8 | -175.4 | 173.9 | 3.4 | 111.8 | L420 V421 N427 T428 | L420-R424 WeakPolarHBondContact O-CD 3.32Å; L420-R424 VanDerWaalsContact O-CG 3.24Å; L420-R424 WeakPolarHBondContact O-CG 3.48Å; L420-R424 PolarHBondContact O-N 3.4Å; V421-R424 WeakPolarHBondContact O-CB 3.46Å; V421-R424 PolarHBondContact O-N 3.13Å; R424-N427 PolarHBondContact O-N 2.71Å; R424-T428 WeakPolarHBondContact O-CG2 3.49Å; R424-T428 PolarHBondContact O-N 2.91Å; R424-T428 PolarHBondContact O-OG1 3.19Å |
| 425 | E | 85 | Confident | 82.1 | Confident | 124 Ų | 124 | 92.5 Ų | 92.5 | 58% | 0.579 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -61.2 | -45.6 | 175.1 | -71.3 | 178.9 | 167.3 | 0 | 0 | 110.9 | V421 A422 N427 T428 A429 | V421-E425 HydrophobicContact CG1-CG 4.39Å; V421-E425 WeakPolarHBondContact O-CG 3.38Å; V421-E425 PolarHBondContact O-N 3.01Å; A422-E425 PolarHBondContact O-N 3.1Å; E425-N427 PolarHBondContact O-N 3.16Å; E425-T428 PolarHBondContact O-N 2.75Å; E425-T428 PolarHBondContact O-OG1 3.09Å; E425-A429 WeakPolarHBondContact O-CB 3.31Å; E425-A429 PolarHBondContact O-N 2.97Å |
| 426 | L | 85.4 | Confident | 82.4 | Confident | 116 Ų | 116 | 92.3 Ų | 92.3 | 61% | 0.607 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -57.3 | -48.6 | 173.4 | -179.6 | 61.8 | 0 | 0 | 0 | 112 | A422 T428 A429 Q430 | A422-L426 WeakPolarHBondContact O-CB 3.41Å; A422-L426 PolarHBondContact O-N 3.36Å; L426-T428 PolarHBondContact O-N 3.25Å; L426-A429 WeakPolarHBondContact O-CB 3.41Å; L426-A429 PolarHBondContact O-N 3.41Å; L426-Q430 PolarHBondContact O-N 3.4Å |
| 427 | N | 83.5 | Confident | 82.6 | Confident | 91 Ų | 91 | 91.9 Ų | 91.9 | 49% | 0.487 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.6 | -42.2 | 177.7 | -70.8 | 5.9 | 0 | 0 | 0 | 111.9 | Q423 R424 E425 A429 Q430 D431 | Q423-N427 WeakPolarHBondContact O-CB 3.25Å; Q423-N427 PolarHBondContact O-N 2.89Å; Q423-N427 PolarHBondContact O-OD1 3.24Å; R424-N427 PolarHBondContact O-N 2.71Å; E425-N427 PolarHBondContact O-N 3.16Å; N427-A429 VanDerWaalsContact C-N 3.33Å; N427-A429 PolarHBondContact O-N 3.46Å; N427-Q430 WeakPolarHBondContact O-CB 3.28Å; N427-Q430 PolarHBondContact O-N 3.48Å; N427-D431 PolarHBondContact O-N 2.85Å |
| 428 | T | 81.7 | Confident | 82.7 | Confident | 69 Ų | 69 | 88.9 Ų | 88.9 | 42% | 0.423 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -68.8 | -29.4 | 176.1 | 58.2 | 0 | 0 | 0 | 0 | 113.4 | R424 E425 L426 M432 | R424-T428 WeakPolarHBondContact O-CG2 3.49Å; R424-T428 PolarHBondContact O-N 2.91Å; R424-T428 PolarHBondContact O-OG1 3.19Å; E425-T428 PolarHBondContact O-N 2.75Å; E425-T428 PolarHBondContact O-OG1 3.09Å; L426-T428 PolarHBondContact O-N 3.25Å; T428-M432 WeakPolarHBondContact O-CB 3.49Å; T428-M432 VanDerWaalsContact O-CG 3.26Å; T428-M432 WeakPolarHBondContact O-CG 3.48Å; T428-M432 PolarHBondContact O-N 3.08Å |
| 429 | A | 78.1 | Confident | 82.7 | Confident | 51 Ų | 51 | 88.2 Ų | 88.2 | 42% | 0.421 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -70.1 | -34.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E425 L426 N427 T433 | E425-A429 WeakPolarHBondContact O-CB 3.31Å; E425-A429 PolarHBondContact O-N 2.97Å; L426-A429 WeakPolarHBondContact O-CB 3.41Å; L426-A429 PolarHBondContact O-N 3.41Å; N427-A429 VanDerWaalsContact C-N 3.33Å; N427-A429 PolarHBondContact O-N 3.46Å; A429-T433 WeakPolarHBondContact O-CB 3.31Å; A429-T433 PolarHBondContact O-N 2.91Å; A429-T433 PolarHBondContact O-OG1 2.86Å |
| 430 | Q | 84.5 | Confident | 82.7 | Confident | 84 Ų | 84 | 83.7 Ų | 83.7 | 39% | 0.393 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.5 | -51 | 173.2 | -175.1 | 60.1 | 30 | 0 | 0 | 111.3 | L426 N427 M432 T433 D434 | L426-Q430 PolarHBondContact O-N 3.4Å; N427-Q430 WeakPolarHBondContact O-CB 3.28Å; N427-Q430 PolarHBondContact O-N 3.48Å; Q430-M432 PolarHBondContact O-N 3.23Å; Q430-T433 CarbonylContact O-C 3.49Å; Q430-T433 WeakPolarHBondContact O-CA 3.47Å; Q430-T433 WeakPolarHBondContact O-CB 3.36Å; Q430-T433 PolarHBondContact O-N 3.46Å; Q430-D434 VanDerWaalsContact NE2-CG 3.27Å; Q430-D434 PolarHBondContact NE2-OD1 3.39Å; Q430-D434 PolarHBondContact NE2-OD2 3.28Å; Q430-D434 VanDerWaalsContact O-CG 3.31Å; Q430-D434 PolarHBondContact O-N 3.19Å |
| 431 | D | 84.3 | Confident | 82.9 | Confident | 72 Ų | 72 | 82.1 Ų | 82.1 | 39% | 0.385 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -50.7 | -43.5 | 174 | -76.1 | -19.1 | 0 | 0 | 0 | 112.2 | N427 D434 K435 | N427-D431 PolarHBondContact O-N 2.85Å; D431-D434 PolarHBondContact O-N 2.94Å; D431-K435 VanDerWaalsContact O-CG 3.3Å; D431-K435 WeakPolarHBondContact O-CG 3.34Å; D431-K435 PolarHBondContact O-N 2.99Å |
| 432 | M | 80.3 | Confident | 83.1 | Confident | 101 Ų | 101 | 84.8 Ų | 84.8 | 50% | 0.498 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -70.4 | -36.5 | 177.7 | -71.7 | -62.7 | -63.4 | 0 | 0 | 112.4 | T428 Q430 D434 K435 L436 | T428-M432 WeakPolarHBondContact O-CB 3.49Å; T428-M432 VanDerWaalsContact O-CG 3.26Å; T428-M432 WeakPolarHBondContact O-CG 3.48Å; T428-M432 PolarHBondContact O-N 3.08Å; Q430-M432 PolarHBondContact O-N 3.23Å; M432-D434 VanDerWaalsContact C-N 3.33Å; M432-K435 HydrophobicContact SD-CD 4.08Å; M432-L436 WeakPolarHBondContact O-CB 3.44Å; M432-L436 WeakPolarHBondContact O-CD1 3.4Å; M432-L436 VanDerWaalsContact O-CG 3.22Å; M432-L436 WeakPolarHBondContact O-CG 3.41Å; M432-L436 PolarHBondContact O-N 2.78Å |
| 433 | T | 82.2 | Confident | 83.1 | Confident | 46 Ų | 46 | 88.3 Ų | 88.3 | 28% | 0.282 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.6 | -39 | 173.7 | -61.7 | 0 | 0 | 0 | 0 | 111.4 | A429 Q430 L436 R437 | A429-T433 WeakPolarHBondContact O-CB 3.31Å; A429-T433 PolarHBondContact O-N 2.91Å; A429-T433 PolarHBondContact O-OG1 2.86Å; Q430-T433 CarbonylContact O-C 3.49Å; Q430-T433 WeakPolarHBondContact O-CA 3.47Å; Q430-T433 WeakPolarHBondContact O-CB 3.36Å; Q430-T433 PolarHBondContact O-N 3.46Å; T433-L436 CarbonylContact O-C 3.19Å; T433-L436 PolarHBondContact O-N 2.63Å; T433-R437 PolarHBondContact O-N 3.49Å |
| 434 | D | 84.3 | Confident | 83.3 | Confident | 63 Ų | 63 | 87.6 Ų | 87.6 | 34% | 0.337 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -73.9 | -42 | -178 | -66.1 | -21.4 | 0 | 0 | 0 | 111.7 | Q430 D431 M432 L436 R437 A438 | Q430-D434 VanDerWaalsContact NE2-CG 3.27Å; Q430-D434 PolarHBondContact NE2-OD1 3.39Å; Q430-D434 PolarHBondContact NE2-OD2 3.28Å; Q430-D434 VanDerWaalsContact O-CG 3.31Å; Q430-D434 PolarHBondContact O-N 3.19Å; D431-D434 PolarHBondContact O-N 2.94Å; M432-D434 VanDerWaalsContact C-N 3.33Å; D434-L436 PolarHBondContact O-N 2.82Å; D434-R437 CarbonylContact O-C 3.58Å; D434-R437 WeakPolarHBondContact O-CA 3.15Å; D434-R437 WeakPolarHBondContact O-CB 3.25Å; D434-R437 PolarHBondContact O-N 2.94Å; D434-R437 IonicContact OD1-CZ 2.69Å; D434-R437 IonicContact OD1-NH1 3.12Å; D434-R437 PolarHBondContact OD1-NH1 2.84Å; D434-R437 IonicContact OD1-NH2 2.66Å; D434-A438 PolarHBondContact O-N 3.32Å |
| 435 | K | 85 | Confident | 83.5 | Confident | 43 Ų | 43 | 83.4 Ų | 83.4 | 19% | 0.187 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -55.6 | -48.7 | 166.5 | -73.3 | 166.2 | -179.2 | 174.6 | 0 | 112.2 | D431 M432 R437 A438 E439 L963 S964 | D431-K435 VanDerWaalsContact O-CG 3.3Å; D431-K435 WeakPolarHBondContact O-CG 3.34Å; D431-K435 PolarHBondContact O-N 2.99Å; M432-K435 HydrophobicContact SD-CD 4.08Å; K435-R437 PolarHBondContact O-N 3.38Å; K435-A438 PolarHBondContact O-N 3.49Å; K435-A438 VanDerWaalsContact O-N 3.13Å; K435-E439 PolarHBondContact O-N 3.26Å; K435-L963 WeakPolarHBondContact CE-O 3.34Å; K435-L963 PolarHBondContact NZ-O 2.88Å; K435-S964 PolarHBondContact NZ-OG 3.26Å |
| 436 | L | 82.1 | Confident | 83.4 | Confident | 90 Ų | 90 | 81.2 Ų | 81.2 | 47% | 0.471 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65.4 | -20.5 | 176.7 | -72.1 | 169.9 | 0 | 0 | 0 | 112.4 | K131 M432 T433 D434 L440 | K131-L436 PolarHBondContact NZ-O 3.27Å; M432-L436 WeakPolarHBondContact O-CB 3.44Å; M432-L436 WeakPolarHBondContact O-CD1 3.4Å; M432-L436 VanDerWaalsContact O-CG 3.22Å; M432-L436 WeakPolarHBondContact O-CG 3.41Å; M432-L436 PolarHBondContact O-N 2.78Å; T433-L436 CarbonylContact O-C 3.19Å; T433-L436 PolarHBondContact O-N 2.63Å; D434-L436 PolarHBondContact O-N 2.82Å; L436-L440 WeakPolarHBondContact O-CB 3.33Å; L436-L440 PolarHBondContact O-N 2.94Å |
| 437 | R | 83.1 | Confident | 83.4 | Confident | 104 Ų | 104 | 80.7 Ų | 80.7 | 39% | 0.392 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -79.3 | -42.1 | 171.4 | -160.3 | -170.6 | -77.2 | 94.4 | -16.7 | 110.4 | T433 D434 K435 L440 A441 | T433-R437 PolarHBondContact O-N 3.49Å; D434-R437 CarbonylContact O-C 3.58Å; D434-R437 WeakPolarHBondContact O-CA 3.15Å; D434-R437 WeakPolarHBondContact O-CB 3.25Å; D434-R437 PolarHBondContact O-N 2.94Å; D434-R437 IonicContact OD1-CZ 2.69Å; D434-R437 IonicContact OD1-NH1 3.12Å; D434-R437 PolarHBondContact OD1-NH1 2.84Å; D434-R437 IonicContact OD1-NH2 2.66Å; K435-R437 PolarHBondContact O-N 3.38Å; R437-L440 PolarHBondContact O-N 3.41Å; R437-A441 WeakPolarHBondContact O-CB 3.43Å; R437-A441 PolarHBondContact O-N 3.06Å |
| 438 | A | 84.4 | Confident | 83.6 | Confident | 59 Ų | 59 | 82.4 Ų | 82.4 | 49% | 0.488 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.9 | -45.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D434 K435 L440 A441 F442 | D434-A438 PolarHBondContact O-N 3.32Å; K435-A438 PolarHBondContact O-N 3.49Å; K435-A438 VanDerWaalsContact O-N 3.13Å; A438-L440 VanDerWaalsContact C-N 3.32Å; A438-L440 PolarHBondContact O-N 3.46Å; A438-A441 PolarHBondContact O-N 3.37Å; A438-F442 PolarHBondContact O-N 2.56Å |
| 439 | E | 82.7 | Confident | 83.7 | Confident | 122 Ų | 122 | 83.4 Ų | 83.4 | 57% | 0.57 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -60.1 | -41.1 | 174.6 | -75.4 | -178.3 | -172.3 | 0 | 0 | 112 | K435 F442 K443 | K435-E439 PolarHBondContact O-N 3.26Å; E439-F442 PolarHBondContact O-N 2.9Å; E439-K443 WeakPolarHBondContact O-CB 3.43Å; E439-K443 VanDerWaalsContact O-CG 3.31Å; E439-K443 WeakPolarHBondContact O-CG 3.38Å; E439-K443 PolarHBondContact O-N 3.32Å |
| 440 | L | 81 | Confident | 84 | Confident | 63 Ų | 63 | 86 Ų | 86 | 33% | 0.33 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -70.6 | -35.5 | 177.6 | -169.9 | 136.9 | 0 | 0 | 0 | 112 | K131 M135 L436 R437 A438 K443 S444 | K131-L440 HydrophobicContact CD-CD1 4.46Å; K131-L440 HydrophobicContact CG-CD1 4Å; M135-L440 HydrophobicContact CG-CD1 4.03Å; M135-L440 HydrophobicContact SD-CD1 3.64Å; L436-L440 WeakPolarHBondContact O-CB 3.33Å; L436-L440 PolarHBondContact O-N 2.94Å; R437-L440 PolarHBondContact O-N 3.41Å; A438-L440 VanDerWaalsContact C-N 3.32Å; A438-L440 PolarHBondContact O-N 3.46Å; L440-K443 PolarHBondContact O-N 3.07Å; L440-S444 WeakPolarHBondContact O-CB 3.49Å; L440-S444 PolarHBondContact O-N 3.4Å |
| 441 | A | 84.4 | Confident | 84.1 | Confident | 52 Ų | 52 | 86.5 Ų | 86.5 | 43% | 0.43 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.8 | -46.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | R437 A438 K443 S444 T445 | R437-A441 WeakPolarHBondContact O-CB 3.43Å; R437-A441 PolarHBondContact O-N 3.06Å; A438-A441 PolarHBondContact O-N 3.37Å; A441-K443 VanDerWaalsContact C-N 3.31Å; A441-K443 PolarHBondContact O-N 3.35Å; A441-S444 WeakPolarHBondContact O-CB 3.49Å; A441-S444 PolarHBondContact O-N 3.3Å; A441-S444 VanDerWaalsContact O-N 3.08Å; A441-T445 PolarHBondContact O-N 3.15Å; A441-T445 PolarHBondContact O-OG1 3.46Å |
| 442 | F | 85.5 | Confident | 84.1 | Confident | 125 Ų | 125 | 88 Ų | 88 | 55% | 0.548 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.8 | -36.5 | 174.8 | -179.6 | -97.5 | 0 | 0 | 0 | 112.5 | A438 E439 T445 Q446 | A438-F442 PolarHBondContact O-N 2.56Å; E439-F442 PolarHBondContact O-N 2.9Å; F442-T445 PolarHBondContact O-OG1 2.8Å; F442-Q446 VanDerWaalsContact O-CB 3.25Å; F442-Q446 WeakPolarHBondContact O-CB 3.46Å; F442-Q446 PolarHBondContact O-N 2.95Å |
| 443 | K | 85.7 | Confident | 84.3 | Confident | 125 Ų | 125 | 88.8 Ų | 88.8 | 54% | 0.543 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -69.2 | -34 | 172.5 | -72.5 | -72.6 | 164.1 | -169.3 | 0 | 112.5 | E439 L440 A441 L447 | E439-K443 WeakPolarHBondContact O-CB 3.43Å; E439-K443 VanDerWaalsContact O-CG 3.31Å; E439-K443 WeakPolarHBondContact O-CG 3.38Å; E439-K443 PolarHBondContact O-N 3.32Å; L440-K443 PolarHBondContact O-N 3.07Å; A441-K443 VanDerWaalsContact C-N 3.31Å; A441-K443 PolarHBondContact O-N 3.35Å; K443-L447 WeakPolarHBondContact O-CB 3.41Å; K443-L447 PolarHBondContact O-N 2.9Å |
| 444 | S | 83.2 | Confident | 84.4 | Confident | 73 Ų | 73 | 91.1 Ų | 91.1 | 51% | 0.51 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -69.1 | -38.8 | 175.3 | -163 | 0 | 0 | 0 | 0 | 112.7 | L440 A441 L447 K448 | L440-S444 WeakPolarHBondContact O-CB 3.49Å; L440-S444 PolarHBondContact O-N 3.4Å; A441-S444 WeakPolarHBondContact O-CB 3.49Å; A441-S444 PolarHBondContact O-N 3.3Å; A441-S444 VanDerWaalsContact O-N 3.08Å; S444-L447 PolarHBondContact O-N 2.85Å; S444-K448 PolarHBondContact O-N 3.05Å; S444-K448 VanDerWaalsContact O-N 3.12Å |
| 445 | T | 86.6 | Confident | 84.5 | Confident | 78 Ų | 78 | 94.7 Ų | 94.7 | 48% | 0.479 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -70.6 | -40.9 | 174.2 | 55.6 | 0 | 0 | 0 | 0 | 111.4 | A441 F442 L447 K448 Q449 | A441-T445 PolarHBondContact O-N 3.15Å; A441-T445 PolarHBondContact O-OG1 3.46Å; F442-T445 PolarHBondContact O-OG1 2.8Å; T445-L447 VanDerWaalsContact C-N 3.29Å; T445-L447 PolarHBondContact O-N 2.99Å; T445-K448 PolarHBondContact O-N 3.49Å; T445-Q449 WeakPolarHBondContact O-CG 3.3Å; T445-Q449 PolarHBondContact O-N 3.19Å |
| 446 | Q | 84.4 | Confident | 84.5 | Confident | 79 Ų | 79 | 95.9 Ų | 95.9 | 37% | 0.369 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.7 | -36.4 | 172.9 | 176.7 | 163.6 | 79.3 | 0 | 0 | 112.7 | F442 Q450 | F442-Q446 VanDerWaalsContact O-CB 3.25Å; F442-Q446 WeakPolarHBondContact O-CB 3.46Å; F442-Q446 PolarHBondContact O-N 2.95Å; Q446-Q450 WeakPolarHBondContact O-CG 3.24Å; Q446-Q450 PolarHBondContact O-N 3.38Å |
| 447 | L | 84.8 | Confident | 84.6 | Confident | 104 Ų | 104 | 97.1 Ų | 97.1 | 55% | 0.545 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.4 | -51.8 | 173.6 | -166.4 | 84.6 | 0 | 0 | 0 | 111 | K443 S444 T445 Q449 Q450 E451 | K443-L447 WeakPolarHBondContact O-CB 3.41Å; K443-L447 PolarHBondContact O-N 2.9Å; S444-L447 PolarHBondContact O-N 2.85Å; T445-L447 VanDerWaalsContact C-N 3.29Å; T445-L447 PolarHBondContact O-N 2.99Å; L447-Q449 VanDerWaalsContact C-N 3.29Å; L447-Q449 PolarHBondContact O-N 3.3Å; L447-Q450 WeakPolarHBondContact O-CA 3.49Å; L447-Q450 WeakPolarHBondContact O-CB 3.46Å; L447-Q450 PolarHBondContact O-N 2.87Å; L447-E451 WeakPolarHBondContact CD2-OE1 3.49Å; L447-E451 PolarHBondContact O-N 2.98Å |
| 448 | K | 88.3 | Confident | 84.7 | Confident | 128 Ų | 128 | 96.8 Ų | 96.8 | 56% | 0.557 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -58.5 | -38.6 | -178.7 | -168.5 | 177.3 | -179.8 | -177.7 | 0 | 112.7 | S444 T445 Q450 E451 E452 | S444-K448 PolarHBondContact O-N 3.05Å; S444-K448 VanDerWaalsContact O-N 3.12Å; T445-K448 PolarHBondContact O-N 3.49Å; K448-Q450 VanDerWaalsContact C-N 3.25Å; K448-Q450 PolarHBondContact O-N 2.96Å; K448-E451 PolarHBondContact O-N 3.42Å; K448-E452 WeakPolarHBondContact O-CB 3.14Å; K448-E452 PolarHBondContact O-N 3.3Å |
| 449 | Q | 84 | Confident | 84.8 | Confident | 89 Ų | 89 | 99 Ų | 99 | 42% | 0.416 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64 | -25 | 173.5 | -74.7 | -174.9 | -8.6 | 0 | 0 | 113.8 | T445 L447 K453 | T445-Q449 WeakPolarHBondContact O-CG 3.3Å; T445-Q449 PolarHBondContact O-N 3.19Å; L447-Q449 VanDerWaalsContact C-N 3.29Å; L447-Q449 PolarHBondContact O-N 3.3Å; Q449-K453 WeakPolarHBondContact O-CG 3.46Å; Q449-K453 PolarHBondContact O-N 2.87Å |
| 450 | Q | 83.6 | Confident | 85 | Confident | 106 Ų | 106 | 99.2 Ų | 99.2 | 50% | 0.495 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -84 | -40.5 | 173.4 | -60.8 | -72.1 | 22 | 0 | 0 | 111.3 | Q446 L447 K448 E452 K453 V454 | Q446-Q450 WeakPolarHBondContact O-CG 3.24Å; Q446-Q450 PolarHBondContact O-N 3.38Å; L447-Q450 WeakPolarHBondContact O-CA 3.49Å; L447-Q450 WeakPolarHBondContact O-CB 3.46Å; L447-Q450 PolarHBondContact O-N 2.87Å; K448-Q450 VanDerWaalsContact C-N 3.25Å; K448-Q450 PolarHBondContact O-N 2.96Å; Q450-E452 PolarHBondContact O-N 3.24Å; Q450-K453 WeakPolarHBondContact O-CB 3.4Å; Q450-K453 PolarHBondContact O-N 3.05Å; Q450-K453 VanDerWaalsContact O-N 3.15Å; Q450-V454 WeakPolarHBondContact O-CG2 3.44Å; Q450-V454 PolarHBondContact O-N 3.39Å |
| 451 | E | 85.6 | Confident | 85 | Confident | 95 Ų | 95 | 100.9 Ų | 100.9 | 44% | 0.444 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -57.8 | -37.8 | 173.3 | -65.7 | 169.3 | 167 | 0 | 0 | 112 | L447 K448 V454 R455 | L447-E451 WeakPolarHBondContact CD2-OE1 3.49Å; L447-E451 PolarHBondContact O-N 2.98Å; K448-E451 PolarHBondContact O-N 3.42Å; E451-V454 PolarHBondContact O-N 2.93Å; E451-R455 PolarHBondContact O-N 3.05Å |
| 452 | E | 84.5 | Confident | 85 | Confident | 103 Ų | 103 | 101.4 Ų | 101.4 | 48% | 0.481 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -74.8 | -32.2 | 177.1 | -170 | 148.9 | -148 | 0 | 0 | 112.8 | K448 Q450 T456 | K448-E452 WeakPolarHBondContact O-CB 3.14Å; K448-E452 PolarHBondContact O-N 3.3Å; Q450-E452 PolarHBondContact O-N 3.24Å; E452-T456 WeakPolarHBondContact O-CB 3.32Å; E452-T456 PolarHBondContact O-N 2.94Å; E452-T456 PolarHBondContact O-OG1 2.67Å |
| 453 | K | 84.7 | Confident | 85 | Confident | 117 Ų | 117 | 98.8 Ų | 98.8 | 51% | 0.509 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.1 | -41.3 | 167.4 | -77.5 | 169.6 | -176.2 | 171.5 | 0 | 112 | Q449 Q450 T456 L457 | Q449-K453 WeakPolarHBondContact O-CG 3.46Å; Q449-K453 PolarHBondContact O-N 2.87Å; Q450-K453 WeakPolarHBondContact O-CB 3.4Å; Q450-K453 PolarHBondContact O-N 3.05Å; Q450-K453 VanDerWaalsContact O-N 3.15Å; K453-T456 PolarHBondContact O-N 2.92Å; K453-L457 WeakPolarHBondContact O-CB 3.4Å; K453-L457 WeakPolarHBondContact O-CG 3.27Å; K453-L457 PolarHBondContact O-N 3.47Å |
| 454 | V | 84.7 | Confident | 84.7 | Confident | 96 Ų | 96 | 97 Ų | 97 | 58% | 0.582 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.9 | -47.9 | 174.9 | 171.4 | 0 | 0 | 0 | 0 | 110.3 | Q450 E451 T456 L457 Q458 | Q450-V454 WeakPolarHBondContact O-CG2 3.44Å; Q450-V454 PolarHBondContact O-N 3.39Å; E451-V454 PolarHBondContact O-N 2.93Å; V454-T456 VanDerWaalsContact C-N 3.33Å; V454-T456 PolarHBondContact O-N 3.43Å; V454-L457 PolarHBondContact O-N 2.73Å; V454-L457 VanDerWaalsContact O-N 3.13Å; V454-Q458 PolarHBondContact O-N 2.9Å |
| 455 | R | 86.4 | Confident | 84.5 | Confident | 138 Ų | 138 | 99.2 Ų | 99.2 | 52% | 0.521 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.9 | -37.7 | 173.9 | -78.2 | -172.7 | -75 | 138.5 | 0.6 | 113.3 | E451 L457 Q458 I459 | E451-R455 PolarHBondContact O-N 3.05Å; R455-L457 VanDerWaalsContact C-N 3.33Å; R455-L457 PolarHBondContact O-N 2.71Å; R455-Q458 PolarHBondContact O-N 3.09Å; R455-I459 WeakPolarHBondContact O-CG1 3.49Å; R455-I459 PolarHBondContact O-N 3.49Å |
| 456 | T | 84.2 | Confident | 84.2 | Confident | 68 Ų | 68 | 100.5 Ų | 100.5 | 42% | 0.417 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.8 | -33.3 | 175.1 | -56.7 | 0 | 0 | 0 | 0 | 112.5 | E452 K453 V454 K460 | E452-T456 WeakPolarHBondContact O-CB 3.32Å; E452-T456 PolarHBondContact O-N 2.94Å; E452-T456 PolarHBondContact O-OG1 2.67Å; K453-T456 PolarHBondContact O-N 2.92Å; V454-T456 VanDerWaalsContact C-N 3.33Å; V454-T456 PolarHBondContact O-N 3.43Å; T456-K460 VanDerWaalsContact O-CG 3.3Å; T456-K460 WeakPolarHBondContact O-CG 3.37Å; T456-K460 PolarHBondContact O-N 3.38Å |
| 457 | L | 85 | Confident | 84.1 | Confident | 115 Ų | 115 | 101.7 Ų | 101.7 | 60% | 0.602 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -75.4 | -36.4 | 174.4 | -72.3 | 169.5 | 0 | 0 | 0 | 111.9 | K453 V454 R455 K460 L461 | K453-L457 WeakPolarHBondContact O-CB 3.4Å; K453-L457 WeakPolarHBondContact O-CG 3.27Å; K453-L457 PolarHBondContact O-N 3.47Å; V454-L457 PolarHBondContact O-N 2.73Å; V454-L457 VanDerWaalsContact O-N 3.13Å; R455-L457 VanDerWaalsContact C-N 3.33Å; R455-L457 PolarHBondContact O-N 2.71Å; L457-K460 PolarHBondContact O-N 2.9Å; L457-L461 PolarHBondContact O-N 3.08Å |
| 458 | Q | 85.1 | Confident | 83.6 | Confident | 97 Ų | 97 | 101.7 Ų | 101.7 | 45% | 0.453 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.2 | -56 | 173.3 | -170.2 | 62.5 | 54.7 | 0 | 0 | 110.6 | V454 R455 K460 L461 D462 | V454-Q458 PolarHBondContact O-N 2.9Å; R455-Q458 PolarHBondContact O-N 3.09Å; Q458-K460 PolarHBondContact O-N 2.79Å; Q458-L461 CarbonylContact O-C 3.5Å; Q458-L461 WeakPolarHBondContact O-CA 3.47Å; Q458-L461 VanDerWaalsContact O-CB 3.31Å; Q458-L461 WeakPolarHBondContact O-CB 3.45Å; Q458-L461 PolarHBondContact O-N 2.61Å; Q458-D462 PolarHBondContact NE2-OD1 2.63Å; Q458-D462 PolarHBondContact O-N 3.18Å; Q458-D462 VanDerWaalsContact O-OD1 3.11Å |
| 459 | I | 86.5 | Confident | 82.8 | Confident | 105 Ų | 105 | 100.1 Ų | 100.1 | 54% | 0.538 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -54.4 | -35.8 | 178.2 | -66.4 | 164 | 0 | 0 | 0 | 111.5 | R455 D462 T463 | R455-I459 WeakPolarHBondContact O-CG1 3.49Å; R455-I459 PolarHBondContact O-N 3.49Å; I459-D462 WeakPolarHBondContact CA-OD2 3.41Å; I459-T463 WeakPolarHBondContact O-CG2 3.42Å; I459-T463 PolarHBondContact O-N 3.29Å; I459-T463 PolarHBondContact O-OG1 3.02Å |
| 460 | K | 86 | Confident | 82.3 | Confident | 127 Ų | 127 | 101.8 Ų | 101.8 | 55% | 0.552 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68.8 | -40.7 | 174.8 | -78.4 | 177.3 | 178.6 | -174.9 | 0 | 113.3 | T456 L457 Q458 T463 V464 | T456-K460 VanDerWaalsContact O-CG 3.3Å; T456-K460 WeakPolarHBondContact O-CG 3.37Å; T456-K460 PolarHBondContact O-N 3.38Å; L457-K460 PolarHBondContact O-N 2.9Å; Q458-K460 PolarHBondContact O-N 2.79Å; K460-T463 WeakPolarHBondContact CA-OG1 3.38Å; K460-T463 PolarHBondContact O-OG1 3.36Å; K460-V464 WeakPolarHBondContact O-CB 3.33Å; K460-V464 VanDerWaalsContact O-CG2 3.29Å; K460-V464 WeakPolarHBondContact O-CG2 3.29Å; K460-V464 PolarHBondContact O-N 3.2Å |
| 461 | L | 81.8 | Confident | 81.7 | Confident | 99 Ų | 99 | 100 Ų | 100 | 52% | 0.518 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.6 | -49.6 | 173.3 | -177.4 | 63 | 0 | 0 | 0 | 109.8 | L457 Q458 T463 V464 E465 | L457-L461 PolarHBondContact O-N 3.08Å; Q458-L461 CarbonylContact O-C 3.5Å; Q458-L461 WeakPolarHBondContact O-CA 3.47Å; Q458-L461 VanDerWaalsContact O-CB 3.31Å; Q458-L461 WeakPolarHBondContact O-CB 3.45Å; Q458-L461 PolarHBondContact O-N 2.61Å; L461-T463 PolarHBondContact O-N 2.89Å; L461-V464 PolarHBondContact O-N 3.38Å; L461-V464 VanDerWaalsContact O-N 3.08Å; L461-E465 PolarHBondContact O-N 3.15Å |
| 462 | D | 85.5 | Confident | 80.7 | Confident | 63 Ų | 63 | 103.1 Ų | 103.1 | 34% | 0.337 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -55.1 | -49.7 | 177.9 | -47.6 | -24.8 | 0 | 0 | 0 | 110.7 | Q458 I459 V464 E465 D466 | Q458-D462 PolarHBondContact NE2-OD1 2.63Å; Q458-D462 PolarHBondContact O-N 3.18Å; Q458-D462 VanDerWaalsContact O-OD1 3.11Å; I459-D462 WeakPolarHBondContact CA-OD2 3.41Å; D462-V464 VanDerWaalsContact C-N 3.34Å; D462-V464 PolarHBondContact O-N 3.47Å; D462-E465 WeakPolarHBondContact O-CB 3.44Å; D462-E465 PolarHBondContact O-N 2.74Å; D462-D466 PolarHBondContact O-N 3.4Å |
| 463 | T | 84.5 | Confident | 79.4 | Confident | 69 Ų | 69 | 101.3 Ų | 101.3 | 42% | 0.423 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.9 | -30.3 | 177.4 | 54.5 | 0 | 0 | 0 | 0 | 114.5 | I459 K460 L461 D467 | I459-T463 WeakPolarHBondContact O-CG2 3.42Å; I459-T463 PolarHBondContact O-N 3.29Å; I459-T463 PolarHBondContact O-OG1 3.02Å; K460-T463 WeakPolarHBondContact CA-OG1 3.38Å; K460-T463 PolarHBondContact O-OG1 3.36Å; L461-T463 PolarHBondContact O-N 2.89Å; T463-D467 WeakPolarHBondContact O-CB 3.46Å; T463-D467 PolarHBondContact O-N 2.92Å |
| 464 | V | 80.5 | Confident | 78 | Confident | 89 Ų | 89 | 101.3 Ų | 101.3 | 54% | 0.539 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -74.7 | -31.5 | 175.6 | 167 | 0 | 0 | 0 | 0 | 110.7 | K460 L461 D462 L468 | K460-V464 WeakPolarHBondContact O-CB 3.33Å; K460-V464 VanDerWaalsContact O-CG2 3.29Å; K460-V464 WeakPolarHBondContact O-CG2 3.29Å; K460-V464 PolarHBondContact O-N 3.2Å; L461-V464 PolarHBondContact O-N 3.38Å; L461-V464 VanDerWaalsContact O-N 3.08Å; D462-V464 VanDerWaalsContact C-N 3.34Å; D462-V464 PolarHBondContact O-N 3.47Å; V464-L468 VanDerWaalsContact O-CB 3.24Å; V464-L468 WeakPolarHBondContact O-CB 3.27Å; V464-L468 PolarHBondContact O-N 3.4Å; V464-L468 VanDerWaalsContact O-N 3.08Å |
| 465 | E | 77.4 | Confident | 76.5 | Confident | 119 Ų | 119 | 100 Ų | 100 | 56% | 0.556 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -70 | -42.5 | 172.5 | -167.5 | 152.1 | -147.8 | 0 | 0 | 111 | L461 D462 L468 L469 | L461-E465 PolarHBondContact O-N 3.15Å; D462-E465 WeakPolarHBondContact O-CB 3.44Å; D462-E465 PolarHBondContact O-N 2.74Å; E465-L468 PolarHBondContact O-N 3.37Å; E465-L469 VanDerWaalsContact O-CG 3.3Å; E465-L469 WeakPolarHBondContact O-CG 3.24Å; E465-L469 PolarHBondContact O-N 3.06Å |
| 466 | D | 81.3 | Confident | 75 | Confident | 104 Ų | 104 | 97.4 Ų | 97.4 | 56% | 0.556 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.2 | -48.1 | 171.4 | -82.2 | -27.2 | 0 | 0 | 0 | 112.9 | D462 L468 L469 Q470 | D462-D466 PolarHBondContact O-N 3.4Å; D466-L468 PolarHBondContact O-N 2.98Å; D466-L469 PolarHBondContact O-N 2.78Å; D466-Q470 WeakPolarHBondContact O-CB 3.49Å; D466-Q470 PolarHBondContact O-N 3.23Å |
| 467 | D | 81.3 | Confident | 73.5 | Confident | 105 Ų | 105 | 100 Ų | 100 | 56% | 0.561 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.3 | -36.2 | 175.3 | -86.6 | -16.6 | 0 | 0 | 0 | 111.5 | T463 S471 | T463-D467 WeakPolarHBondContact O-CB 3.46Å; T463-D467 PolarHBondContact O-N 2.92Å; D467-S471 WeakPolarHBondContact O-CB 3.32Å; D467-S471 PolarHBondContact O-N 3.45Å; D467-S471 PolarHBondContact O-OG 2.87Å |
| 468 | L | 74.2 | Confident | 71.6 | Confident | 104 Ų | 104 | 103.1 Ų | 103.1 | 55% | 0.545 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -73.8 | -34.6 | 177.7 | -165.5 | 146.8 | 0 | 0 | 0 | 111.8 | V464 E465 D466 S471 R472 | V464-L468 VanDerWaalsContact O-CB 3.24Å; V464-L468 WeakPolarHBondContact O-CB 3.27Å; V464-L468 PolarHBondContact O-N 3.4Å; V464-L468 VanDerWaalsContact O-N 3.08Å; E465-L468 PolarHBondContact O-N 3.37Å; D466-L468 PolarHBondContact O-N 2.98Å; L468-S471 WeakPolarHBondContact CA-OG 3.36Å; L468-S471 PolarHBondContact O-OG 2.82Å; L468-S471 VanDerWaalsContact O-OG 3.14Å; L468-R472 VanDerWaalsContact O-CB 3.23Å; L468-R472 WeakPolarHBondContact O-CB 3.38Å; L468-R472 PolarHBondContact O-N 3.34Å; L468-R472 VanDerWaalsContact O-N 3.11Å |
| 469 | L | 71.6 | Confident | 70 | Confident | 95 Ų | 95 | 103.3 Ų | 103.3 | 50% | 0.497 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69.1 | -40.2 | 170.6 | -71 | 169.8 | 0 | 0 | 0 | 112 | E465 D466 R472 S473 | E465-L469 VanDerWaalsContact O-CG 3.3Å; E465-L469 WeakPolarHBondContact O-CG 3.24Å; E465-L469 PolarHBondContact O-N 3.06Å; D466-L469 PolarHBondContact O-N 2.78Å; L469-R472 WeakPolarHBondContact O-CB 3.38Å; L469-R472 PolarHBondContact O-N 3.49Å; L469-S473 PolarHBondContact O-N 3.17Å |
| 470 | Q | 73.1 | Confident | 68.3 | Low | 123 Ų | 123 | 102.8 Ų | 102.8 | 58% | 0.575 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -70.4 | -41.6 | 179 | -167.5 | 177.5 | 54.5 | 0 | 0 | 112.1 | D466 R472 S473 L474 | D466-Q470 WeakPolarHBondContact O-CB 3.49Å; D466-Q470 PolarHBondContact O-N 3.23Å; Q470-R472 VanDerWaalsContact C-N 3.29Å; Q470-R472 PolarHBondContact O-N 3.45Å; Q470-S473 PolarHBondContact O-N 3.46Å; Q470-S473 PolarHBondContact O-OG 3.01Å; Q470-L474 WeakPolarHBondContact O-CG 3.24Å; Q470-L474 PolarHBondContact O-N 2.94Å |
| 471 | S | 71 | Confident | 66.3 | Low | 68 Ų | 68 | 104.9 Ų | 104.9 | 48% | 0.476 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.9 | -33.7 | 172.7 | 54.5 | 0 | 0 | 0 | 0 | 112.3 | D467 L468 S475 | D467-S471 WeakPolarHBondContact O-CB 3.32Å; D467-S471 PolarHBondContact O-N 3.45Å; D467-S471 PolarHBondContact O-OG 2.87Å; L468-S471 WeakPolarHBondContact CA-OG 3.36Å; L468-S471 PolarHBondContact O-OG 2.82Å; L468-S471 VanDerWaalsContact O-OG 3.14Å; S471-S475 PolarHBondContact O-N 3.02Å |
| 472 | R | 64.8 | Low | 64.4 | Low | 161 Ų | 161 | 104.4 Ų | 104.4 | 61% | 0.608 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -66.5 | -38 | 171.5 | -167 | 174.9 | -172.1 | 178.7 | 0.8 | 112.7 | L468 L469 Q470 S475 N476 | L468-R472 VanDerWaalsContact O-CB 3.23Å; L468-R472 WeakPolarHBondContact O-CB 3.38Å; L468-R472 PolarHBondContact O-N 3.34Å; L468-R472 VanDerWaalsContact O-N 3.11Å; L469-R472 WeakPolarHBondContact O-CB 3.38Å; L469-R472 PolarHBondContact O-N 3.49Å; Q470-R472 VanDerWaalsContact C-N 3.29Å; Q470-R472 PolarHBondContact O-N 3.45Å; R472-S475 PolarHBondContact O-N 2.81Å; R472-N476 VanDerWaalsContact O-CG 3.29Å; R472-N476 PolarHBondContact O-N 2.89Å; R472-N476 PolarHBondContact O-ND2 2.73Å |
| 473 | S | 57.5 | Low | 62.3 | Low | 66 Ų | 66 | 108.4 Ų | 108.4 | 46% | 0.462 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -69.8 | -39.2 | 176.8 | 79.5 | 0 | 0 | 0 | 0 | 112.5 | L469 Q470 S475 N476 H477 | L469-S473 PolarHBondContact O-N 3.17Å; Q470-S473 PolarHBondContact O-N 3.46Å; Q470-S473 PolarHBondContact O-OG 3.01Å; S473-S475 PolarHBondContact O-N 3.46Å; S473-N476 PolarHBondContact O-N 2.86Å; S473-H477 PolarHBondContact O-N 2.9Å |
| 474 | L | 55.9 | Low | 60.1 | Low | 117 Ų | 117 | 114.7 Ų | 114.7 | 61% | 0.613 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -62.7 | -39.7 | 172.7 | -71.5 | 172.1 | 0 | 0 | 0 | 112.3 | Q470 H477 F478 | Q470-L474 WeakPolarHBondContact O-CG 3.24Å; Q470-L474 PolarHBondContact O-N 2.94Å; L474-H477 PolarHBondContact O-N 3.05Å; L474-F478 PolarHBondContact O-N 3.32Å |
| 475 | S | 53.3 | Low | 57.8 | Low | 68 Ų | 68 | 116.2 Ų | 116.2 | 48% | 0.476 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -60.7 | -44.8 | 172.4 | -166.7 | 0 | 0 | 0 | 0 | 111.7 | S471 R472 S473 H477 F478 L479 | S471-S475 PolarHBondContact O-N 3.02Å; R472-S475 PolarHBondContact O-N 2.81Å; S473-S475 PolarHBondContact O-N 3.46Å; S475-H477 VanDerWaalsContact C-N 3.33Å; S475-H477 PolarHBondContact O-N 3.07Å; S475-F478 PolarHBondContact O-N 3.29Å; S475-F478 VanDerWaalsContact O-N 3.15Å; S475-L479 PolarHBondContact O-N 2.82Å; S475-L479 VanDerWaalsContact O-N 3.16Å |
| 476 | N | 55.3 | Low | 55.7 | Low | 84 Ų | 84 | 119.3 Ų | 119.3 | 45% | 0.449 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -64.5 | -31.6 | 178.4 | -72.8 | -17 | 0 | 0 | 0 | 113.4 | R472 S473 F478 L479 T480 | R472-N476 VanDerWaalsContact O-CG 3.29Å; R472-N476 PolarHBondContact O-N 2.89Å; R472-N476 PolarHBondContact O-ND2 2.73Å; S473-N476 PolarHBondContact O-N 2.86Å; N476-F478 VanDerWaalsContact C-N 3.32Å; N476-F478 PolarHBondContact O-N 3Å; N476-L479 PolarHBondContact O-N 3.4Å; N476-T480 WeakPolarHBondContact O-CB 3.49Å; N476-T480 WeakPolarHBondContact O-CG2 3.37Å; N476-T480 PolarHBondContact O-N 2.82Å; N476-T480 PolarHBondContact O-OG1 3.01Å |
| 477 | H | 52.2 | Low | 53.4 | Low | 122 Ų | 122 | 125.6 Ų | 125.6 | 57% | 0.565 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -65.9 | -35.1 | 174.6 | -164.5 | -24.6 | 0 | 0 | 0 | 111.8 | S473 L474 S475 T480 | S473-H477 PolarHBondContact O-N 2.9Å; L474-H477 PolarHBondContact O-N 3.05Å; S475-H477 VanDerWaalsContact C-N 3.33Å; S475-H477 PolarHBondContact O-N 3.07Å; H477-T480 WeakPolarHBondContact CA-OG1 3.46Å; H477-T480 PolarHBondContact O-OG1 2.89Å |
| 478 | F | 45.9 | Very low | 51 | Low | 180 Ų | 180 | 127.3 Ų | 127.3 | 79% | 0.789 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -70.6 | -39.5 | 174.3 | -106.7 | -86.6 | 0 | 0 | 0 | 112.5 | L474 S475 N476 | L474-F478 PolarHBondContact O-N 3.32Å; S475-F478 PolarHBondContact O-N 3.29Å; S475-F478 VanDerWaalsContact O-N 3.15Å; N476-F478 VanDerWaalsContact C-N 3.32Å; N476-F478 PolarHBondContact O-N 3Å |
| 479 | L | 50.5 | Low | 49 | Very low | 101 Ų | 101 | 129.9 Ų | 129.9 | 53% | 0.529 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -70.8 | -40.8 | 179.7 | -67.7 | 173.3 | 0 | 0 | 0 | 113.1 | S475 N476 K481 S482 L483 | S475-L479 PolarHBondContact O-N 2.82Å; S475-L479 VanDerWaalsContact O-N 3.16Å; N476-L479 PolarHBondContact O-N 3.4Å; L479-K481 VanDerWaalsContact C-N 3.28Å; L479-K481 PolarHBondContact O-N 3.31Å; L479-S482 WeakPolarHBondContact O-CB 3.13Å; L479-S482 PolarHBondContact O-N 3.29Å; L479-L483 PolarHBondContact O-N 2.98Å |
| 480 | T | 50.6 | Low | 47 | Very low | 95 Ų | 95 | 132.3 Ų | 132.3 | 58% | 0.583 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -64.3 | -28.7 | -180 | 45.6 | 0 | 0 | 0 | 0 | 113.5 | N476 H477 S482 | N476-T480 WeakPolarHBondContact O-CB 3.49Å; N476-T480 WeakPolarHBondContact O-CG2 3.37Å; N476-T480 PolarHBondContact O-N 2.82Å; N476-T480 PolarHBondContact O-OG1 3.01Å; H477-T480 WeakPolarHBondContact CA-OG1 3.46Å; H477-T480 PolarHBondContact O-OG1 2.89Å; T480-S482 VanDerWaalsContact C-N 3.29Å; T480-S482 PolarHBondContact O-N 3.12Å |
| 481 | K | 43.2 | Very low | 44.8 | Very low | 171 Ų | 171 | 135 Ų | 135 | 74% | 0.743 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -74 | -14.4 | 171 | -109.1 | -177.2 | 178.7 | 177.7 | 0 | 114.4 | L479 | L479-K481 VanDerWaalsContact C-N 3.28Å; L479-K481 PolarHBondContact O-N 3.31Å |
| 482 | S | 42.5 | Very low | 43 | Very low | 88 Ų | 88 | 137.3 Ų | 137.3 | 62% | 0.615 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -96 | -19.2 | -175.4 | -166.4 | 0 | 0 | 0 | 0 | 114.1 | L479 T480 | L479-S482 WeakPolarHBondContact O-CB 3.13Å; L479-S482 PolarHBondContact O-N 3.29Å; T480-S482 VanDerWaalsContact C-N 3.29Å; T480-S482 PolarHBondContact O-N 3.12Å |
| 483 | L | 41.9 | Very low | 41.3 | Very low | 147 Ų | 147 | 136 Ų | 136 | 77% | 0.77 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -113.4 | -6.2 | -171.1 | -94.6 | 163.7 | 0 | 0 | 0 | 116.3 | L479 T485 | L479-L483 PolarHBondContact O-N 2.98Å; L483-T485 PolarHBondContact O-N 2.97Å |
| 484 | K | 38.8 | Very low | 40.1 | Very low | 202 Ų | 202 | 139.7 Ų | 139.7 | 88% | 0.878 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -79.7 | 5.7 | 175.2 | -138.1 | 174.7 | -174.2 | -179.4 | 0 | 114.2 | ||
| 485 | T | 32.2 | Very low | 38.9 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 74% | 0.736 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -98.7 | 30.6 | -177.3 | -4.5 | 0 | 0 | 0 | 0 | 113.8 | L483 | L483-T485 PolarHBondContact O-N 2.97Š|
| 486 | K | 32.3 | Very low | 37.9 | Very low | 184 Ų | 184 | 143.1 Ų | 143.1 | 80% | 0.8 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -162.8 | 83.9 | 167.3 | -118.1 | 179.4 | -174.7 | -178 | 0 | 112 | ||
| 487 | Y | 34.1 | Very low | 36.8 | Very low | 236 Ų | 236 | 145.6 Ų | 145.6 | 93% | 0.925 | 73% | 0.733 | S | S | * | * | -171.1 | 125.5 | 129.6 | -98 | -65.9 | 0 | 0 | 0 | 107 | |||||
| 488 | I | 30.9 | Very low | 35.9 | Very low | 142 Ų | 142 | 148 Ų | 148 | 73% | 0.728 | 74% | 0.744 | S | S | * | * | trans | -121.1 | 127.3 | -177 | -63 | 170.1 | 0 | 0 | 0 | 106.7 | ||||
| 489 | N | 31.6 | Very low | 35.3 | Very low | 157 Ų | 157 | 147 Ų | 147 | 84% | 0.84 | 75% | 0.747 | S | S | * | * | trans | 179.6 | 141.1 | 139.1 | -88.7 | -7.1 | 0 | 0 | 0 | 107 | ||||
| 490 | D | 29.6 | Very low | 34.6 | Very low | 147 Ų | 147 | 151.5 Ų | 151.5 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | trans | -108.2 | -178.2 | -166 | -58.2 | -85.2 | 0 | 0 | 0 | 112.6 | ||||
| 491 | E | 27.9 | Very low | 34 | Very low | 180 Ų | 180 | 155.3 Ų | 155.3 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | trans | 95.9 | 89.9 | 144.3 | -125.2 | 155.7 | -151.7 | 0 | 0 | 120.9 | ||||
| 492 | V | 33.2 | Very low | 33.6 | Very low | 115 Ų | 115 | 156.3 Ų | 156.3 | 70% | 0.697 | 79% | 0.789 | S | S | * | * | 87.7 | 114.3 | 117.9 | 166.1 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 493 | D | 28.1 | Very low | 33.2 | Very low | 135 Ų | 135 | 160.1 Ų | 160.1 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | trans | 61.9 | 141.7 | 137.2 | -60.1 | -8.3 | 0 | 0 | 0 | 126.2 | ||||
| 494 | I | 31.3 | Very low | 32.6 | Very low | 142 Ų | 142 | 160.1 Ų | 160.1 | 73% | 0.728 | 80% | 0.803 | S | S | * | * | 124.8 | 133.9 | 118.9 | -107.1 | 162.4 | 0 | 0 | 0 | 120 | |||||
| 495 | D | 31.3 | Very low | 32.3 | Very low | 126 Ų | 126 | 156.8 Ų | 156.8 | 67% | 0.674 | 79% | 0.794 | S | S | * | * | trans | 64.7 | 114.8 | 162.1 | -56.7 | -6.5 | 0 | 0 | 0 | 124.3 | ||||
| 496 | D | 33.7 | Very low | 32.1 | Very low | 132 Ų | 132 | 158.1 Ų | 158.1 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | 71.5 | 113.7 | 123.1 | -55.4 | -2.3 | 0 | 0 | 0 | 124.9 | |||||
| 497 | D | 30.8 | Very low | 31.9 | Very low | 136 Ų | 136 | 154.1 Ų | 154.1 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | 67.4 | 131.4 | 124.2 | -61.6 | -9.6 | 0 | 0 | 0 | 125.6 | |||||
| 498 | E | 32.9 | Very low | 31.5 | Very low | 172 Ų | 172 | 146.5 Ų | 146.5 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | 52.2 | 97.4 | 141.3 | -61.7 | -175.6 | 162.8 | 0 | 0 | 120.3 | ||||
| 499 | D | 34.9 | Very low | 31.5 | Very low | 160 Ų | 160 | 146.3 Ų | 146.3 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | 175.9 | 128.5 | 94.6 | -95.3 | -27.5 | 0 | 0 | 0 | 110.5 | |||||
| 500 | E | 35.7 | Very low | 31.4 | Very low | 195 Ų | 195 | 146.2 Ų | 146.2 | 91% | 0.911 | 79% | 0.791 | S | S | * | * | trans | -103.4 | 115.6 | -173.9 | -67.6 | -178.2 | 145.5 | 0 | 0 | 113.2 | ||||
| 501 | D | 37.3 | Very low | 31.2 | Very low | 174 Ų | 174 | 147.9 Ų | 147.9 | 93% | 0.93 | 79% | 0.788 | S | S | * | * | trans | -90.7 | 101.3 | 163.1 | -77.8 | -48.5 | 0 | 0 | 0 | 109.5 | ||||
| 502 | E | 34.9 | Very low | 31.4 | Very low | 192 Ų | 192 | 145.8 Ų | 145.8 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | trans | -127.4 | 111.7 | 163.5 | -76.5 | -152.6 | 153.4 | 0 | 0 | 112.5 | ||||
| 503 | D | 32.9 | Very low | 30.9 | Very low | 168 Ų | 168 | 148.2 Ų | 148.2 | 90% | 0.898 | 79% | 0.786 | S | S | * | * | trans | -95.7 | 106.2 | 164.8 | -86.3 | -51.5 | 0 | 0 | 0 | 109.2 | ||||
| 504 | D | 31.3 | Very low | 30.8 | Very low | 147 Ų | 147 | 148 Ų | 148 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | trans | -161.4 | 137.1 | 156.5 | -122.9 | -10.1 | 0 | 0 | 0 | 117 | ||||
| 505 | I | 31.3 | Very low | 30.6 | Very low | 132 Ų | 132 | 145 Ų | 145 | 68% | 0.677 | 77% | 0.766 | S | S | * | * | trans | 72.2 | 119.5 | 145.8 | -68.8 | 157.9 | 0 | 0 | 0 | 123.3 | ||||
| 506 | N | 27.9 | Very low | 30.3 | Very low | 149 Ų | 149 | 142 Ų | 142 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | trans | 68.9 | 107.6 | 148.2 | -83 | -16.4 | 0 | 0 | 0 | 124.4 | ||||
| 507 | A | 28.7 | Very low | 29.8 | Very low | 99 Ų | 99 | 139.6 Ų | 139.6 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | 48.1 | 123.8 | 107 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 508 | G | 25.9 | Very low | 29.7 | Very low | 77 Ų | 77 | 138.5 Ų | 138.5 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | trans | 166.3 | 129.2 | 157.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 509 | T | 30.8 | Very low | 29.8 | Very low | 137 Ų | 137 | 137.9 Ų | 137.9 | 84% | 0.84 | 76% | 0.757 | S | S | * | * | trans | -66.3 | 149.6 | 163.5 | 46.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 510 | E | 28.3 | Very low | 29.8 | Very low | 156 Ų | 156 | 138 Ų | 138 | 73% | 0.729 | 75% | 0.752 | S | S | * | * | -174 | 123 | 129.1 | -103.1 | -169.1 | -177.5 | 0 | 0 | 115.2 | |||||
| 511 | Y | 26.1 | Very low | 29.6 | Very low | 182 Ų | 182 | 134.9 Ų | 134.9 | 71% | 0.714 | 75% | 0.752 | S | S | * | * | trans | 62.4 | 150.8 | 144 | -60.5 | -55.2 | 0 | 0 | 0 | 126.4 | ||||
| 512 | N | 31.9 | Very low | 29.7 | Very low | 135 Ų | 135 | 134.1 Ų | 134.1 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | trans | 78.8 | 99.6 | 162.7 | -44.9 | -66.7 | 0 | 0 | 0 | 114.9 | ||||
| 513 | E | 24 | Very low | 30.4 | Very low | 166 Ų | 166 | 130.2 Ų | 130.2 | 78% | 0.776 | 74% | 0.739 | S | S | * | * | 64.8 | 135.4 | 60.4 | -61.5 | -168 | 137.2 | 0 | 0 | 115.1 | |||||
| 514 | E | 25.4 | Very low | 30.1 | Very low | 130 Ų | 130 | 130.6 Ų | 130.6 | 61% | 0.607 | 74% | 0.736 | S | S | * | * | trans | 67.3 | 144.7 | 152.9 | -76.3 | -165.1 | 174 | 0 | 0 | 118.1 | ||||
| 515 | N | 26.2 | Very low | 30 | Very low | 79 Ų | 79 | 131 Ų | 131 | 42% | 0.422 | 74% | 0.737 | S | S | . | * | cis | -163.2 | 175.8 | 11.7 | -139.3 | -45.4 | 0 | 0 | 0 | 113.7 | N923 | N515-N923 VanDerWaalsContact CG-ND2 3.26Å; N515-N923 PolarHBondContact ND2-ND2 3.33Å; N515-N923 PolarHBondContact OD1-ND2 2.85Å | ||
| 516 | A | 26.5 | Very low | 29.8 | Very low | 64 Ų | 64 | 131.5 Ų | 131.5 | 53% | 0.529 | 74% | 0.74 | S | S | . | * | trans | 74.9 | 114.6 | 145 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 517 | C | 23.1 | Very low | 29.8 | Very low | 81 Ų | 81 | 132.3 Ų | 132.3 | 55% | 0.547 | 74% | 0.744 | S | S | . | * | 53 | 105.9 | 129.6 | -62.9 | 0 | 0 | 0 | 0 | 120.9 | N920 | C517-N920 PolarHBondContact SG-ND2 3.44Å; C517-N920 VanDerWaalsContact SG-ND2 3.39Å; C517-N920 PolarHBondContact SG-OD1 2.98Å; C517-N920 VanDerWaalsContact SG-OD1 3.34Å | |||
| 518 | S | 28 | Very low | 29.9 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | -179.7 | 131.7 | 118.2 | -78.5 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 519 | D | 34.1 | Very low | 29.9 | Very low | 159 Ų | 159 | 141.5 Ų | 141.5 | 85% | 0.85 | 75% | 0.747 | S | S | * | * | trans | -171.4 | 151.4 | 161.3 | -100.5 | -28.3 | 0 | 0 | 0 | 109.1 | ||||
| 520 | E | 36.7 | Very low | 30 | Very low | 163 Ų | 163 | 143.1 Ų | 143.1 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | cis | -150.1 | 136.4 | -0.9 | -160.7 | -179.8 | -163.9 | 0 | 0 | 109.5 | ||||
| 521 | S | 31.1 | Very low | 29.9 | Very low | 129 Ų | 129 | 140.9 Ų | 140.9 | 90% | 0.902 | 75% | 0.75 | S | S | * | * | trans | -175.5 | 69.8 | 165.1 | -82.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 522 | N | 39.7 | Very low | 29.9 | Very low | 158 Ų | 158 | 141.6 Ų | 141.6 | 85% | 0.845 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 149.1 | -174.1 | -127.1 | -13.1 | 0 | 0 | 0 | 112 | ||
| 523 | P | 47.8 | Very low | 29.7 | Very low | 111 Ų | 111 | 138.6 Ų | 138.6 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 161.5 | -164.2 | 38.3 | -35.8 | 0 | 0 | 0 | 115.5 | ||
| 524 | E | 27.7 | Very low | 30.1 | Very low | 176 Ų | 176 | 140 Ų | 140 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 144.1 | 159.2 | -57 | 176.6 | 107 | 0 | 0 | 111.1 | ||
| 525 | L | 28.2 | Very low | 30.1 | Very low | 154 Ų | 154 | 142.1 Ų | 142.1 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | 172.5 | 131.9 | 107 | -91.3 | 172.1 | 0 | 0 | 0 | 115.5 | |||||
| 526 | L | 27.3 | Very low | 30.4 | Very low | 143 Ų | 143 | 147.7 Ų | 147.7 | 75% | 0.749 | 81% | 0.806 | S | S | * | * | trans | 62 | 84.2 | 136.5 | -152.7 | 73.5 | 0 | 0 | 0 | 120.4 | ||||
| 527 | N | 27.5 | Very low | 30.5 | Very low | 166 Ų | 166 | 153.3 Ų | 153.3 | 89% | 0.888 | 82% | 0.821 | S | S | * | * | trans | -58 | 140.7 | 154.6 | -171.5 | 3 | 0 | 0 | 0 | 111.2 | ||||
| 528 | K | 31.2 | Very low | 31.1 | Very low | 182 Ų | 182 | 158.4 Ų | 158.4 | 79% | 0.791 | 84% | 0.837 | S | S | * | * | trans | -132.3 | 133.6 | -167.9 | -162.2 | 173.7 | -174.7 | 177.8 | 0 | 114 | ||||
| 529 | Q | 25.8 | Very low | 31.5 | Very low | 187 Ų | 187 | 160.8 Ų | 160.8 | 87% | 0.874 | 84% | 0.841 | S | S | * | * | trans | -81.8 | 140.3 | -173 | -57.1 | 161.4 | -62.3 | 0 | 0 | 113.6 | ||||
| 530 | I | 32.5 | Very low | 31.8 | Very low | 171 Ų | 171 | 157.7 Ų | 157.7 | 88% | 0.877 | 82% | 0.824 | S | S | * | * | trans | -148.3 | 136.8 | 151.8 | -53.6 | 179.6 | 0 | 0 | 0 | 105.5 | ||||
| 531 | S | 26.4 | Very low | 32.4 | Very low | 109 Ų | 109 | 152.5 Ų | 152.5 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | cis | 158.9 | 144.2 | -20 | 178.2 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 532 | E | 27.1 | Very low | 33.5 | Very low | 197 Ų | 197 | 153 Ų | 153 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | trans | -91.9 | 170.7 | -174.7 | -58.1 | 175.1 | 117.3 | 0 | 0 | 113.1 | ||||
| 533 | G | 27.2 | Very low | 34.3 | Very low | 72 Ų | 72 | 149.9 Ų | 149.9 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | trans | 127.9 | 142.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 534 | E | 31.6 | Very low | 34.6 | Very low | 195 Ų | 195 | 148.9 Ų | 148.9 | 91% | 0.911 | 77% | 0.773 | S | S | * | * | cis | -142.9 | 174.1 | -9.1 | -71.6 | -171.7 | 109.5 | 0 | 0 | 109.9 | ||||
| 535 | L | 26.6 | Very low | 36.1 | Very low | 176 Ų | 176 | 144.3 Ų | 144.3 | 92% | 0.921 | 75% | 0.753 | S | S | * | * | trans | -115.7 | 114.1 | 180 | -82.9 | 166.3 | 0 | 0 | 0 | 111.1 | ||||
| 536 | E | 31.4 | Very low | 37.7 | Very low | 195 Ų | 195 | 142.8 Ų | 142.8 | 91% | 0.911 | 74% | 0.742 | S | S | * | * | trans | -122 | 151.9 | 166.3 | -68.2 | -159 | 128.4 | 0 | 0 | 112.3 | ||||
| 537 | Q | 29.6 | Very low | 39.5 | Very low | 183 Ų | 183 | 140 Ų | 140 | 86% | 0.855 | 73% | 0.728 | S | S | * | * | trans | -113.4 | 124.3 | -175.4 | -62.9 | 176.3 | -6.2 | 0 | 0 | 110.2 | ||||
| 538 | E | 35.4 | Very low | 41.4 | Very low | 188 Ų | 188 | 137.9 Ų | 137.9 | 88% | 0.879 | 71% | 0.711 | S | S | * | * | trans | -136 | 149.6 | 161.6 | -95.7 | -170 | 152.4 | 0 | 0 | 111.7 | D540 | E538-D540 PolarHBondContact O-N 2.91Š| ||
| 539 | N | 36.9 | Very low | 43.1 | Very low | 162 Ų | 162 | 137.1 Ų | 137.1 | 87% | 0.866 | 70% | 0.703 | S | S | * | * | trans | -103.1 | 77.3 | -160.1 | -68.1 | -74 | 0 | 0 | 0 | 112.5 | ||||
| 540 | D | 40.5 | Very low | 45.3 | Very low | 95 Ų | 95 | 133.1 Ų | 133.1 | 51% | 0.508 | 69% | 0.687 | S | S | . | * | trans | -77.3 | 155 | 172.9 | -80.4 | -31.2 | 0 | 0 | 0 | 113.3 | E538 K548 | E538-D540 PolarHBondContact O-N 2.91Å; D540-K548 IonicContact OD2-NZ 3.08Å; D540-K548 PolarHBondContact OD2-NZ 3.25Å; D540-K548 VanDerWaalsContact OD2-NZ 3.08Å | ||
| 541 | S | 49.5 | Very low | 47.2 | Very low | 53 Ų | 53 | 134 Ų | 134 | 37% | 0.371 | 68% | 0.679 | S | S | . | * | trans | -61.4 | 149.6 | -176.1 | 92.1 | 0 | 0 | 0 | 0 | 113.8 | T543 D544 L545 | S541-T543 PolarHBondContact O-N 2.9Å; S541-T543 PolarHBondContact OG-OG1 3.37Å; S541-D544 PolarHBondContact O-N 3.11Å; S541-D544 PolarHBondContact OG-N 2.73Å; S541-D544 PolarHBondContact OG-OD2 3.31Å; S541-L545 WeakPolarHBondContact O-CB 3.21Å; S541-L545 PolarHBondContact O-N 2.91Å | ||
| 542 | I | 54.2 | Low | 49.3 | Very low | 140 Ų | 140 | 135.9 Ų | 135.9 | 72% | 0.718 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -56.3 | -37.8 | -179 | -69.6 | 174.4 | 0 | 0 | 0 | 112.1 | L545 E546 | I542-L545 WeakPolarHBondContact O-CB 3.4Å; I542-L545 PolarHBondContact O-N 3.1Å; I542-E546 WeakPolarHBondContact O-CB 3.4Å; I542-E546 PolarHBondContact O-N 3.28Å |
| 543 | T | 55.1 | Low | 51.6 | Low | 93 Ų | 93 | 130.9 Ų | 130.9 | 57% | 0.571 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -67.6 | -36 | 178.3 | 35.5 | 0 | 0 | 0 | 0 | 113.1 | S541 N547 | S541-T543 PolarHBondContact O-N 2.9Å; S541-T543 PolarHBondContact OG-OG1 3.37Å; T543-N547 PolarHBondContact O-N 3.48Å; T543-N547 VanDerWaalsContact O-N 3.16Å; T543-N547 PolarHBondContact O-ND2 3.24Å |
| 544 | D | 55.4 | Low | 53.7 | Low | 90 Ų | 90 | 135.3 Ų | 135.3 | 48% | 0.481 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -74.9 | -37.9 | 173.1 | -65.8 | -61.5 | 0 | 0 | 0 | 110.8 | S541 E546 N547 K548 | S541-D544 PolarHBondContact O-N 3.11Å; S541-D544 PolarHBondContact OG-N 2.73Å; S541-D544 PolarHBondContact OG-OD2 3.31Å; D544-E546 VanDerWaalsContact C-N 3.31Å; D544-E546 PolarHBondContact O-N 3.36Å; D544-N547 PolarHBondContact O-N 2.91Å; D544-K548 WeakPolarHBondContact O-CB 3.32Å; D544-K548 PolarHBondContact O-N 3.29Å |
| 545 | L | 59 | Low | 55.6 | Low | 80 Ų | 80 | 129.4 Ų | 129.4 | 42% | 0.419 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -60.6 | -39.4 | 175.4 | -154.4 | 77.2 | 0 | 0 | 0 | 111.9 | S541 I542 R549 | S541-L545 WeakPolarHBondContact O-CB 3.21Å; S541-L545 PolarHBondContact O-N 2.91Å; I542-L545 WeakPolarHBondContact O-CB 3.4Å; I542-L545 PolarHBondContact O-N 3.1Å; L545-R549 WeakPolarHBondContact O-CB 3.28Å; L545-R549 VanDerWaalsContact O-CG 3.31Å; L545-R549 WeakPolarHBondContact O-CG 3.48Å; L545-R549 PolarHBondContact O-N 3.11Å |
| 546 | E | 62.1 | Low | 57.8 | Low | 121 Ų | 121 | 125.7 Ų | 125.7 | 57% | 0.565 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -71.2 | -43.3 | 176.1 | -173 | 152.1 | -126.7 | 0 | 0 | 112.2 | I542 D544 K548 R549 I550 | I542-E546 WeakPolarHBondContact O-CB 3.4Å; I542-E546 PolarHBondContact O-N 3.28Å; D544-E546 VanDerWaalsContact C-N 3.31Å; D544-E546 PolarHBondContact O-N 3.36Å; E546-K548 VanDerWaalsContact C-N 3.33Å; E546-K548 PolarHBondContact O-N 2.87Å; E546-R549 WeakPolarHBondContact O-CB 3.14Å; E546-R549 PolarHBondContact O-N 3.13Å; E546-I550 HydrophobicContact CG-CD1 4.22Å; E546-I550 WeakPolarHBondContact O-CG1 3.34Å; E546-I550 PolarHBondContact O-N 3.38Å |
| 547 | N | 64.5 | Low | 59.9 | Low | 84 Ų | 84 | 124.5 Ų | 124.5 | 45% | 0.449 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -61.3 | -40 | 171.6 | -83.8 | -66.3 | 0 | 0 | 0 | 112.4 | T543 D544 I550 R551 | T543-N547 PolarHBondContact O-N 3.48Å; T543-N547 VanDerWaalsContact O-N 3.16Å; T543-N547 PolarHBondContact O-ND2 3.24Å; D544-N547 PolarHBondContact O-N 2.91Å; N547-I550 PolarHBondContact O-N 3.08Å; N547-R551 VanDerWaalsContact O-CB 3.3Å; N547-R551 WeakPolarHBondContact O-CB 3.19Å; N547-R551 PolarHBondContact O-N 2.86Å |
| 548 | K | 67.2 | Low | 62 | Low | 122 Ų | 122 | 118.4 Ų | 118.4 | 53% | 0.53 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66 | -38.6 | 176 | -160.6 | 167.9 | -172.6 | 174.3 | 0 | 110 | D540 D544 E546 K552 | D540-K548 IonicContact OD2-NZ 3.08Å; D540-K548 PolarHBondContact OD2-NZ 3.25Å; D540-K548 VanDerWaalsContact OD2-NZ 3.08Å; D544-K548 WeakPolarHBondContact O-CB 3.32Å; D544-K548 PolarHBondContact O-N 3.29Å; E546-K548 VanDerWaalsContact C-N 3.33Å; E546-K548 PolarHBondContact O-N 2.87Å; K548-K552 WeakPolarHBondContact O-CB 3.14Å; K548-K552 PolarHBondContact O-N 3.02Å |
| 549 | R | 68.2 | Low | 63.8 | Low | 167 Ų | 167 | 110.9 Ų | 110.9 | 63% | 0.63 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.9 | -52 | 168.9 | -79.4 | 176.4 | 177.7 | -156.7 | -0.4 | 112.3 | L545 E546 R551 K552 I553 | L545-R549 WeakPolarHBondContact O-CB 3.28Å; L545-R549 VanDerWaalsContact O-CG 3.31Å; L545-R549 WeakPolarHBondContact O-CG 3.48Å; L545-R549 PolarHBondContact O-N 3.11Å; E546-R549 WeakPolarHBondContact O-CB 3.14Å; E546-R549 PolarHBondContact O-N 3.13Å; R549-R551 VanDerWaalsContact C-N 3.34Å; R549-R551 PolarHBondContact O-N 3.49Å; R549-K552 CarbonylContact O-C 3.59Å; R549-K552 PolarHBondContact O-N 3.03Å; R549-I553 WeakPolarHBondContact O-CB 3.28Å; R549-I553 VanDerWaalsContact O-CG1 3.25Å; R549-I553 WeakPolarHBondContact O-CG1 3.31Å; R549-I553 PolarHBondContact O-N 3.25Å |
| 550 | I | 71.3 | Confident | 65.6 | Low | 103 Ų | 103 | 107.7 Ų | 107.7 | 53% | 0.528 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.6 | -44.7 | -179.8 | -68.3 | 165.4 | 0 | 0 | 0 | 110.8 | E546 N547 I553 K554 | E546-I550 HydrophobicContact CG-CD1 4.22Å; E546-I550 WeakPolarHBondContact O-CG1 3.34Å; E546-I550 PolarHBondContact O-N 3.38Å; N547-I550 PolarHBondContact O-N 3.08Å; I550-I553 PolarHBondContact O-N 3.13Å; I550-K554 PolarHBondContact O-N 3.03Å |
| 551 | R | 72.7 | Confident | 67.2 | Low | 190 Ų | 190 | 111 Ų | 111 | 72% | 0.717 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.9 | -41.2 | 178.1 | -150.7 | 178.4 | -60.6 | 171.4 | 2.8 | 111.5 | N547 R549 K554 S555 | N547-R551 VanDerWaalsContact O-CB 3.3Å; N547-R551 WeakPolarHBondContact O-CB 3.19Å; N547-R551 PolarHBondContact O-N 2.86Å; R549-R551 VanDerWaalsContact C-N 3.34Å; R549-R551 PolarHBondContact O-N 3.49Å; R551-K554 PolarHBondContact O-N 3.04Å; R551-S555 WeakPolarHBondContact O-CB 3.22Å; R551-S555 PolarHBondContact O-N 3.35Å |
| 552 | K | 70.3 | Confident | 68.3 | Low | 147 Ų | 147 | 115.4 Ų | 115.4 | 64% | 0.639 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -67.3 | -37.8 | 174.6 | -162.5 | 168.2 | -173.6 | 175.2 | 0 | 112.1 | K548 R549 S555 I556 | K548-K552 WeakPolarHBondContact O-CB 3.14Å; K548-K552 PolarHBondContact O-N 3.02Å; R549-K552 CarbonylContact O-C 3.59Å; R549-K552 PolarHBondContact O-N 3.03Å; K552-S555 PolarHBondContact O-N 3.29Å; K552-I556 HydrophobicContact CG-CD1 4.04Å; K552-I556 WeakPolarHBondContact O-CB 3.34Å; K552-I556 VanDerWaalsContact O-CG1 3.22Å; K552-I556 WeakPolarHBondContact O-CG1 3.49Å; K552-I556 PolarHBondContact O-N 3.45Å |
| 553 | I | 74.2 | Confident | 69.3 | Low | 92 Ų | 92 | 114 Ų | 114 | 47% | 0.472 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.6 | -42.8 | 173.7 | -70.5 | 163.3 | 0 | 0 | 0 | 111.3 | R549 I550 S555 I556 R557 | R549-I553 WeakPolarHBondContact O-CB 3.28Å; R549-I553 VanDerWaalsContact O-CG1 3.25Å; R549-I553 WeakPolarHBondContact O-CG1 3.31Å; R549-I553 PolarHBondContact O-N 3.25Å; I550-I553 PolarHBondContact O-N 3.13Å; I553-S555 VanDerWaalsContact C-N 3.34Å; I553-I556 PolarHBondContact O-N 3.04Å; I553-R557 VanDerWaalsContact O-CB 3.29Å; I553-R557 WeakPolarHBondContact O-CB 3.37Å; I553-R557 PolarHBondContact O-N 3.42Å |
| 554 | K | 72.3 | Confident | 70.3 | Confident | 166 Ų | 166 | 115.7 Ų | 115.7 | 72% | 0.722 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.7 | -38.8 | 175.7 | -169.6 | 175.2 | -179.3 | 179.9 | 0 | 111.6 | I550 R551 R557 S558 | I550-K554 PolarHBondContact O-N 3.03Å; R551-K554 PolarHBondContact O-N 3.04Å; K554-R557 PolarHBondContact O-N 2.94Å; K554-S558 PolarHBondContact O-N 3.27Å |
| 555 | S | 70.4 | Confident | 71.2 | Confident | 70 Ų | 70 | 119.1 Ų | 119.1 | 49% | 0.49 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.6 | -48 | 174 | -178.5 | 0 | 0 | 0 | 0 | 112.3 | R551 K552 I553 R557 S558 A559 | R551-S555 WeakPolarHBondContact O-CB 3.22Å; R551-S555 PolarHBondContact O-N 3.35Å; K552-S555 PolarHBondContact O-N 3.29Å; I553-S555 VanDerWaalsContact C-N 3.34Å; S555-R557 VanDerWaalsContact C-N 3.31Å; S555-R557 PolarHBondContact O-N 3.22Å; S555-S558 PolarHBondContact O-N 2.81Å; S555-S558 PolarHBondContact O-OG 2.73Å; S555-A559 WeakPolarHBondContact O-CB 3.33Å; S555-A559 PolarHBondContact O-N 3.37Å |
| 556 | I | 74.1 | Confident | 72 | Confident | 99 Ų | 99 | 118.2 Ų | 118.2 | 51% | 0.508 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59.3 | -42.1 | 174.3 | -71.2 | 164.6 | 0 | 0 | 0 | 110.6 | K552 I553 A559 L560 | K552-I556 HydrophobicContact CG-CD1 4.04Å; K552-I556 WeakPolarHBondContact O-CB 3.34Å; K552-I556 VanDerWaalsContact O-CG1 3.22Å; K552-I556 WeakPolarHBondContact O-CG1 3.49Å; K552-I556 PolarHBondContact O-N 3.45Å; I553-I556 PolarHBondContact O-N 3.04Å; I556-A559 PolarHBondContact O-N 3.03Å; I556-L560 WeakPolarHBondContact O-CB 3.43Å; I556-L560 PolarHBondContact O-N 3.49Å |
| 557 | R | 75.7 | Confident | 72.7 | Confident | 169 Ų | 169 | 121 Ų | 121 | 64% | 0.638 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.5 | -36.7 | 178.5 | -168.9 | -179.3 | -66 | 173.7 | -0.9 | 112.8 | I553 K554 S555 K561 | I553-R557 VanDerWaalsContact O-CB 3.29Å; I553-R557 WeakPolarHBondContact O-CB 3.37Å; I553-R557 PolarHBondContact O-N 3.42Å; K554-R557 PolarHBondContact O-N 2.94Å; S555-R557 VanDerWaalsContact C-N 3.31Å; S555-R557 PolarHBondContact O-N 3.22Å; R557-K561 PolarHBondContact O-N 3.44Å |
| 558 | S | 73.8 | Confident | 73.5 | Confident | 55 Ų | 55 | 125.1 Ų | 125.1 | 39% | 0.385 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -76.7 | -33.5 | 176.3 | 76.1 | 0 | 0 | 0 | 0 | 112.7 | K554 S555 R562 | K554-S558 PolarHBondContact O-N 3.27Å; S555-S558 PolarHBondContact O-N 2.81Å; S555-S558 PolarHBondContact O-OG 2.73Å; S558-R562 PolarHBondContact O-N 2.89Å; S558-R562 PolarHBondContact O-NE 3.36Å |
| 559 | A | 72.2 | Confident | 74.1 | Confident | 31 Ų | 31 | 122.5 Ų | 122.5 | 26% | 0.256 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.3 | -43.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S555 I556 R562 N563 | S555-A559 WeakPolarHBondContact O-CB 3.33Å; S555-A559 PolarHBondContact O-N 3.37Å; I556-A559 PolarHBondContact O-N 3.03Å; A559-R562 PolarHBondContact O-N 2.83Å; A559-N563 WeakPolarHBondContact O-CB 3.21Å; A559-N563 PolarHBondContact O-N 3.24Å |
| 560 | L | 74.7 | Confident | 74.7 | Confident | 94 Ų | 94 | 119.4 Ų | 119.4 | 49% | 0.492 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 176.5 | -171.7 | 65.5 | 0 | 0 | 0 | 111.7 | I556 N563 H564 | I556-L560 WeakPolarHBondContact O-CB 3.43Å; I556-L560 PolarHBondContact O-N 3.49Å; L560-N563 PolarHBondContact O-N 3.3Å; L560-H564 PolarHBondContact O-CD2 3.34Å; L560-H564 VanDerWaalsContact O-CD2 3.23Å; L560-H564 PolarHBondContact O-N 3.42Å |
| 561 | K | 75.2 | Confident | 75 | Confident | 164 Ų | 164 | 118.2 Ų | 118.2 | 71% | 0.713 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.1 | -45.9 | 171.5 | -86.6 | -159.4 | 169.4 | -159.2 | 0 | 112.3 | R557 H564 Y565 | R557-K561 PolarHBondContact O-N 3.44Å; K561-H564 PolarHBondContact O-N 3.17Å; K561-Y565 PolarHBondContact O-N 2.84Å |
| 562 | R | 71.9 | Confident | 75.5 | Confident | 147 Ų | 147 | 114.7 Ų | 114.7 | 56% | 0.555 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.8 | -43.5 | 175.9 | -82 | 178.8 | -73.9 | 108.2 | -0.5 | 111.9 | S558 A559 H564 Y565 S566 | S558-R562 PolarHBondContact O-N 2.89Å; S558-R562 PolarHBondContact O-NE 3.36Å; A559-R562 PolarHBondContact O-N 2.83Å; R562-H564 VanDerWaalsContact C-N 3.33Å; R562-H564 PolarHBondContact O-N 2.82Å; R562-Y565 PolarHBondContact O-N 3.44Å; R562-Y565 VanDerWaalsContact O-N 3.12Å; R562-S566 PolarHBondContact O-N 3.03Å; R562-S566 PolarHBondContact O-OG 3.12Å |
| 563 | N | 74.1 | Confident | 76.3 | Confident | 109 Ų | 109 | 112.3 Ų | 112.3 | 58% | 0.583 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.3 | -38.2 | 174.2 | -75.6 | -6.1 | 0 | 0 | 0 | 112.5 | A559 L560 R567 | A559-N563 WeakPolarHBondContact O-CB 3.21Å; A559-N563 PolarHBondContact O-N 3.24Å; L560-N563 PolarHBondContact O-N 3.3Å; N563-R567 WeakPolarHBondContact O-CB 3.29Å; N563-R567 PolarHBondContact O-N 3.4Å |
| 564 | H | 76.6 | Confident | 76.7 | Confident | 129 Ų | 129 | 115 Ų | 115 | 60% | 0.597 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.1 | -38.5 | 172.8 | -86.7 | -71.2 | 0 | 0 | 0 | 112.7 | L560 K561 R562 R568 | L560-H564 PolarHBondContact O-CD2 3.34Å; L560-H564 VanDerWaalsContact O-CD2 3.23Å; L560-H564 PolarHBondContact O-N 3.42Å; K561-H564 PolarHBondContact O-N 3.17Å; R562-H564 VanDerWaalsContact C-N 3.33Å; R562-H564 PolarHBondContact O-N 2.82Å; H564-R568 WeakPolarHBondContact O-CB 3.47Å; H564-R568 PolarHBondContact O-N 3.2Å |
| 565 | Y | 74.8 | Confident | 77.4 | Confident | 163 Ų | 163 | 110.5 Ų | 110.5 | 64% | 0.639 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.3 | -52.3 | 177.8 | -167 | -102.5 | 0 | 0 | 0 | 111.5 | K561 R562 R567 R568 I569 | K561-Y565 PolarHBondContact O-N 2.84Å; R562-Y565 PolarHBondContact O-N 3.44Å; R562-Y565 VanDerWaalsContact O-N 3.12Å; Y565-R567 VanDerWaalsContact C-N 3.31Å; Y565-R567 PolarHBondContact O-N 2.97Å; Y565-R568 WeakPolarHBondContact O-CB 3.35Å; Y565-R568 PolarHBondContact O-N 3.35Å; Y565-I569 HydrophobicContact CD1-CD1 3.91Å; Y565-I569 HydrophobicContact CE1-CD1 3.46Å; Y565-I569 VanDerWaalsContact CE1-CD1 3.46Å; Y565-I569 HydrophobicContact CE1-CG1 4.4Å; Y565-I569 PolarHBondContact O-N 3.38Å |
| 566 | S | 75.2 | Confident | 78.2 | Confident | 61 Ų | 61 | 110.8 Ų | 110.8 | 43% | 0.427 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.9 | -40 | 174.9 | -58.9 | 0 | 0 | 0 | 0 | 112.2 | R562 R568 I569 I570 | R562-S566 PolarHBondContact O-N 3.03Å; R562-S566 PolarHBondContact O-OG 3.12Å; S566-R568 VanDerWaalsContact C-N 3.3Å; S566-R568 PolarHBondContact O-N 2.98Å; S566-I569 PolarHBondContact O-N 2.82Å; S566-I570 WeakPolarHBondContact O-CB 3.25Å; S566-I570 WeakPolarHBondContact O-CD1 3.48Å; S566-I570 VanDerWaalsContact O-CG1 3.24Å; S566-I570 WeakPolarHBondContact O-CG1 3.34Å; S566-I570 PolarHBondContact O-N 3.35Å |
| 567 | R | 77.7 | Confident | 78.7 | Confident | 178 Ų | 178 | 113.8 Ų | 113.8 | 67% | 0.672 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.9 | -26 | 175.6 | -166.9 | 174.4 | -164.4 | -92.4 | -2.1 | 112.9 | N563 Y565 Q571 | N563-R567 WeakPolarHBondContact O-CB 3.29Å; N563-R567 PolarHBondContact O-N 3.4Å; Y565-R567 VanDerWaalsContact C-N 3.31Å; Y565-R567 PolarHBondContact O-N 2.97Å; R567-Q571 VanDerWaalsContact O-CB 3.27Å; R567-Q571 WeakPolarHBondContact O-CB 3.26Å; R567-Q571 PolarHBondContact O-N 3.12Å |
| 568 | R | 81.2 | Confident | 79.3 | Confident | 171 Ų | 171 | 110.8 Ų | 110.8 | 65% | 0.645 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -74.2 | -44.1 | 173.4 | -179.3 | 173.5 | 174.4 | 158.1 | -0.7 | 111.4 | H564 Y565 S566 Q571 Q572 | H564-R568 WeakPolarHBondContact O-CB 3.47Å; H564-R568 PolarHBondContact O-N 3.2Å; Y565-R568 WeakPolarHBondContact O-CB 3.35Å; Y565-R568 PolarHBondContact O-N 3.35Å; S566-R568 VanDerWaalsContact C-N 3.3Å; S566-R568 PolarHBondContact O-N 2.98Å; R568-Q571 PolarHBondContact O-N 3.27Å; R568-Q572 PolarHBondContact O-N 3.4Å |
| 569 | I | 80.1 | Confident | 80 | Confident | 67 Ų | 67 | 113.4 Ų | 113.4 | 34% | 0.344 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.6 | -52.9 | 174 | -69.3 | 174.7 | 0 | 0 | 0 | 110 | Y565 S566 Q571 Q572 E573 | Y565-I569 HydrophobicContact CD1-CD1 3.91Å; Y565-I569 HydrophobicContact CE1-CD1 3.46Å; Y565-I569 VanDerWaalsContact CE1-CD1 3.46Å; Y565-I569 HydrophobicContact CE1-CG1 4.4Å; Y565-I569 PolarHBondContact O-N 3.38Å; S566-I569 PolarHBondContact O-N 2.82Å; I569-Q571 PolarHBondContact O-N 3.28Å; I569-Q572 PolarHBondContact O-N 2.69Å; I569-E573 HydrophobicContact CG2-CG 4.28Å; I569-E573 WeakPolarHBondContact CG2-OE1 3.19Å; I569-E573 WeakPolarHBondContact O-CG 3.3Å; I569-E573 PolarHBondContact O-N 3.34Å |
| 570 | I | 79.4 | Confident | 80.8 | Confident | 102 Ų | 102 | 116.2 Ų | 116.2 | 52% | 0.523 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58 | -33.7 | 177.3 | -67.4 | 164.6 | 0 | 0 | 0 | 111.7 | S566 E573 W574 | S566-I570 WeakPolarHBondContact O-CB 3.25Å; S566-I570 WeakPolarHBondContact O-CD1 3.48Å; S566-I570 VanDerWaalsContact O-CG1 3.24Å; S566-I570 WeakPolarHBondContact O-CG1 3.34Å; S566-I570 PolarHBondContact O-N 3.35Å; I570-E573 WeakPolarHBondContact CA-OE2 3.44Å; I570-W574 WeakPolarHBondContact O-CB 3.4Å; I570-W574 PolarHBondContact O-N 3.28Å |
| 571 | Q | 79.4 | Confident | 81.4 | Confident | 78 Ų | 78 | 116 Ų | 116 | 36% | 0.364 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -71.6 | -37.2 | 174.8 | -167.6 | 69.5 | 67 | 0 | 0 | 112.3 | R567 R568 I569 N575 | R567-Q571 VanDerWaalsContact O-CB 3.27Å; R567-Q571 WeakPolarHBondContact O-CB 3.26Å; R567-Q571 PolarHBondContact O-N 3.12Å; R568-Q571 PolarHBondContact O-N 3.27Å; I569-Q571 PolarHBondContact O-N 3.28Å; Q571-N575 PolarHBondContact NE2-OD1 3.29Å; Q571-N575 VanDerWaalsContact O-CB 3.31Å; Q571-N575 WeakPolarHBondContact O-CB 3.31Å; Q571-N575 PolarHBondContact O-N 3.15Å; Q571-N575 PolarHBondContact O-OD1 3.44Å |
| 572 | Q | 82.6 | Confident | 82.2 | Confident | 117 Ų | 117 | 114 Ų | 114 | 55% | 0.547 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.2 | -40.4 | 175.5 | -71.1 | 178.6 | -107.6 | 0 | 0 | 111.5 | R568 I569 S576 | R568-Q572 PolarHBondContact O-N 3.4Å; I569-Q572 PolarHBondContact O-N 2.69Å; Q572-S576 WeakPolarHBondContact O-CB 3.47Å; Q572-S576 PolarHBondContact O-N 2.86Å |
| 573 | E | 86.1 | Confident | 83.1 | Confident | 97 Ų | 97 | 112 Ų | 112 | 45% | 0.453 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.8 | -49.4 | 171 | -67.8 | 167.2 | 165.7 | 0 | 0 | 111 | I569 I570 N575 S576 Y577 | I569-E573 HydrophobicContact CG2-CG 4.28Å; I569-E573 WeakPolarHBondContact CG2-OE1 3.19Å; I569-E573 WeakPolarHBondContact O-CG 3.3Å; I569-E573 PolarHBondContact O-N 3.34Å; I570-E573 WeakPolarHBondContact CA-OE2 3.44Å; E573-N575 PolarHBondContact O-N 3.41Å; E573-S576 WeakPolarHBondContact O-CB 3.42Å; E573-S576 PolarHBondContact O-N 2.85Å; E573-S576 VanDerWaalsContact O-N 3.16Å; E573-Y577 HydrophobicContact CB-CE2 4.3Å; E573-Y577 WeakPolarHBondContact O-CD2 3.27Å; E573-Y577 PolarHBondContact O-N 3.15Å |
| 574 | W | 84.1 | Confident | 83.7 | Confident | 149 Ų | 149 | 110 Ų | 110 | 56% | 0.564 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.6 | -39.6 | -179 | -165.2 | 80.6 | 0 | 0 | 0 | 112.7 | I570 Y577 E578 | I570-W574 WeakPolarHBondContact O-CB 3.4Å; I570-W574 PolarHBondContact O-N 3.28Å; W574-Y577 PolarHBondContact O-N 3.48Å; W574-E578 VanDerWaalsContact CZ3-OE2 3.27Å; W574-E578 WeakPolarHBondContact CZ3-OE2 3.47Å; W574-E578 WeakPolarHBondContact O-CB 3.41Å; W574-E578 PolarHBondContact O-N 3.2Å |
| 575 | N | 86 | Confident | 84.3 | Confident | 70 Ų | 70 | 107.9 Ų | 107.9 | 37% | 0.374 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 171.6 | -76 | 36.2 | 0 | 0 | 0 | 111.6 | Q571 E573 Y577 E578 D579 | Q571-N575 PolarHBondContact NE2-OD1 3.29Å; Q571-N575 VanDerWaalsContact O-CB 3.31Å; Q571-N575 WeakPolarHBondContact O-CB 3.31Å; Q571-N575 PolarHBondContact O-N 3.15Å; Q571-N575 PolarHBondContact O-OD1 3.44Å; E573-N575 PolarHBondContact O-N 3.41Å; N575-Y577 VanDerWaalsContact C-N 3.33Å; N575-Y577 PolarHBondContact O-N 3.34Å; N575-E578 PolarHBondContact O-N 2.96Å; N575-E578 VanDerWaalsContact O-N 3.11Å; N575-D579 PolarHBondContact O-N 2.76Å |
| 576 | S | 86.6 | Confident | 85.1 | Confident | 76 Ų | 76 | 104.2 Ų | 104.2 | 53% | 0.531 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61 | -40.9 | 176.4 | -171.7 | 0 | 0 | 0 | 0 | 112 | Q572 E573 H580 | Q572-S576 WeakPolarHBondContact O-CB 3.47Å; Q572-S576 PolarHBondContact O-N 2.86Å; E573-S576 WeakPolarHBondContact O-CB 3.42Å; E573-S576 PolarHBondContact O-N 2.85Å; E573-S576 VanDerWaalsContact O-N 3.16Å; S576-H580 WeakPolarHBondContact O-CB 3.32Å; S576-H580 PolarHBondContact O-N 2.84Å |
| 577 | Y | 84.8 | Confident | 85.9 | Confident | 162 Ų | 162 | 106.4 Ų | 106.4 | 64% | 0.635 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -68.4 | -34.2 | 172.3 | -67.5 | -56.9 | 0 | 0 | 0 | 113 | E573 W574 N575 V581 | E573-Y577 HydrophobicContact CB-CE2 4.3Å; E573-Y577 WeakPolarHBondContact O-CD2 3.27Å; E573-Y577 PolarHBondContact O-N 3.15Å; W574-Y577 PolarHBondContact O-N 3.48Å; N575-Y577 VanDerWaalsContact C-N 3.33Å; N575-Y577 PolarHBondContact O-N 3.34Å; Y577-V581 VanDerWaalsContact O-CB 3.28Å; Y577-V581 WeakPolarHBondContact O-CB 3.45Å; Y577-V581 WeakPolarHBondContact O-CG2 3.28Å; Y577-V581 PolarHBondContact O-N 2.98Å |
| 578 | E | 88.1 | Confident | 86.4 | Confident | 106 Ų | 106 | 102.2 Ų | 102.2 | 50% | 0.495 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.7 | -44.6 | 175.7 | -173.1 | 170.1 | -144.3 | 0 | 0 | 111.5 | W574 N575 V581 K582 | W574-E578 VanDerWaalsContact CZ3-OE2 3.27Å; W574-E578 WeakPolarHBondContact CZ3-OE2 3.47Å; W574-E578 WeakPolarHBondContact O-CB 3.41Å; W574-E578 PolarHBondContact O-N 3.2Å; N575-E578 PolarHBondContact O-N 2.96Å; N575-E578 VanDerWaalsContact O-N 3.11Å; E578-V581 PolarHBondContact O-N 2.9Å; E578-K582 WeakPolarHBondContact O-CB 3.39Å; E578-K582 PolarHBondContact O-N 3.25Å |
| 579 | D | 89.5 | Confident | 86.8 | Confident | 110 Ų | 110 | 97.9 Ų | 97.9 | 59% | 0.588 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64 | -43.6 | 174.7 | -77 | -41.5 | 0 | 0 | 0 | 111.6 | N575 K582 E583 | N575-D579 PolarHBondContact O-N 2.76Å; D579-K582 WeakPolarHBondContact O-CB 3.46Å; D579-K582 PolarHBondContact O-N 2.94Å; D579-E583 WeakPolarHBondContact O-CB 3.48Å; D579-E583 PolarHBondContact O-N 3.32Å |
| 580 | H | 88.8 | Confident | 87.3 | Confident | 90 Ų | 90 | 101.1 Ų | 101.1 | 42% | 0.417 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.9 | -36.6 | 177.7 | -175.5 | 54 | 0 | 0 | 0 | 113.1 | S576 K582 E583 L584 | S576-H580 WeakPolarHBondContact O-CB 3.32Å; S576-H580 PolarHBondContact O-N 2.84Å; H580-K582 VanDerWaalsContact C-N 3.27Å; H580-K582 PolarHBondContact O-N 3.28Å; H580-E583 IonicContact CE1-OE2 3.99Å; H580-E583 IonicContact ND1-OE2 3.13Å; H580-E583 PolarHBondContact ND1-OE2 3.36Å; H580-E583 VanDerWaalsContact ND1-OE2 3.12Å; H580-E583 PolarHBondContact O-N 3.02Å; H580-L584 WeakPolarHBondContact O-CB 3.45Å; H580-L584 WeakPolarHBondContact O-CG 3.45Å; H580-L584 PolarHBondContact O-N 3.45Å |
| 581 | V | 87.8 | Confident | 87.6 | Confident | 91 Ų | 91 | 101.1 Ų | 101.1 | 55% | 0.552 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.7 | -35.1 | 171.3 | 164.2 | 0 | 0 | 0 | 0 | 111.1 | Y577 E578 T585 | Y577-V581 VanDerWaalsContact O-CB 3.28Å; Y577-V581 WeakPolarHBondContact O-CB 3.45Å; Y577-V581 WeakPolarHBondContact O-CG2 3.28Å; Y577-V581 PolarHBondContact O-N 2.98Å; E578-V581 PolarHBondContact O-N 2.9Å; V581-T585 WeakPolarHBondContact O-CB 3.41Å; V581-T585 PolarHBondContact O-N 2.87Å; V581-T585 VanDerWaalsContact O-N 3.07Å; V581-T585 PolarHBondContact O-OG1 3.34Å |
| 582 | K | 91.3 | Very high | 88 | Confident | 120 Ų | 120 | 104.5 Ų | 104.5 | 52% | 0.522 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.6 | -45.5 | 173 | 179.6 | -171.5 | 166.9 | -64.5 | 0 | 111.7 | E578 D579 H580 T585 D586 | E578-K582 WeakPolarHBondContact O-CB 3.39Å; E578-K582 PolarHBondContact O-N 3.25Å; D579-K582 WeakPolarHBondContact O-CB 3.46Å; D579-K582 PolarHBondContact O-N 2.94Å; H580-K582 VanDerWaalsContact C-N 3.27Å; H580-K582 PolarHBondContact O-N 3.28Å; K582-T585 CarbonylContact O-C 3.59Å; K582-T585 WeakPolarHBondContact O-CA 3.48Å; K582-T585 WeakPolarHBondContact O-CB 3.26Å; K582-T585 PolarHBondContact O-N 2.83Å; K582-D586 IonicContact NZ-OD2 3.3Å; K582-D586 PolarHBondContact NZ-OD2 3.45Å; K582-D586 PolarHBondContact O-N 3.19Å |
| 583 | E | 91.1 | Very high | 88.4 | Confident | 106 Ų | 106 | 102.7 Ų | 102.7 | 50% | 0.495 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -55.3 | -52 | 175.6 | -177.8 | 174.9 | -123 | 0 | 0 | 111.4 | D579 H580 T585 D586 E587 | D579-E583 WeakPolarHBondContact O-CB 3.48Å; D579-E583 PolarHBondContact O-N 3.32Å; H580-E583 IonicContact CE1-OE2 3.99Å; H580-E583 IonicContact ND1-OE2 3.13Å; H580-E583 PolarHBondContact ND1-OE2 3.36Å; H580-E583 VanDerWaalsContact ND1-OE2 3.12Å; H580-E583 PolarHBondContact O-N 3.02Å; E583-T585 PolarHBondContact O-N 3.18Å; E583-D586 PolarHBondContact O-N 2.84Å; E583-D586 VanDerWaalsContact O-N 3.12Å; E583-E587 PolarHBondContact O-N 3.49Å |
| 584 | L | 86.8 | Confident | 88.4 | Confident | 68 Ų | 68 | 101.5 Ų | 101.5 | 36% | 0.356 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.5 | -30.6 | 173.3 | -70.2 | 171.8 | 0 | 0 | 0 | 113.2 | H580 I588 | H580-L584 WeakPolarHBondContact O-CB 3.45Å; H580-L584 WeakPolarHBondContact O-CG 3.45Å; H580-L584 PolarHBondContact O-N 3.45Å; L584-I588 VanDerWaalsContact O-CB 3.29Å; L584-I588 WeakPolarHBondContact O-CB 3.34Å; L584-I588 WeakPolarHBondContact O-CD1 3.49Å; L584-I588 WeakPolarHBondContact O-CG1 3.39Å; L584-I588 PolarHBondContact O-N 3.36Å |
| 585 | T | 89.2 | Confident | 88.4 | Confident | 83 Ų | 83 | 98.8 Ų | 98.8 | 51% | 0.509 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -72.4 | -41.5 | 175.8 | -60.2 | 0 | 0 | 0 | 0 | 111.6 | V581 K582 E583 I588 E589 | V581-T585 WeakPolarHBondContact O-CB 3.41Å; V581-T585 PolarHBondContact O-N 2.87Å; V581-T585 VanDerWaalsContact O-N 3.07Å; V581-T585 PolarHBondContact O-OG1 3.34Å; K582-T585 CarbonylContact O-C 3.59Å; K582-T585 WeakPolarHBondContact O-CA 3.48Å; K582-T585 WeakPolarHBondContact O-CB 3.26Å; K582-T585 PolarHBondContact O-N 2.83Å; E583-T585 PolarHBondContact O-N 3.18Å; T585-I588 PolarHBondContact O-N 3.29Å; T585-E589 WeakPolarHBondContact O-CB 3.38Å; T585-E589 PolarHBondContact O-N 2.7Å; T585-E589 VanDerWaalsContact O-N 3.07Å |
| 586 | D | 92.7 | Very high | 88.5 | Confident | 87 Ų | 87 | 99.3 Ų | 99.3 | 47% | 0.465 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.9 | -41.6 | 176.4 | -70.6 | -28.7 | 0 | 0 | 0 | 110.3 | K582 E583 E589 E590 | K582-D586 IonicContact NZ-OD2 3.3Å; K582-D586 PolarHBondContact NZ-OD2 3.45Å; K582-D586 PolarHBondContact O-N 3.19Å; E583-D586 PolarHBondContact O-N 2.84Å; E583-D586 VanDerWaalsContact O-N 3.12Å; D586-E589 PolarHBondContact O-N 3.4Å; D586-E590 PolarHBondContact O-N 3.4Å |
| 587 | E | 90.7 | Very high | 88.5 | Confident | 107 Ų | 107 | 100.1 Ų | 100.1 | 50% | 0.5 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.8 | -47.4 | 172.1 | -74.1 | -173.9 | 170.6 | 0 | 0 | 112.7 | E583 E589 E590 V591 | E583-E587 PolarHBondContact O-N 3.49Å; E587-E589 PolarHBondContact O-N 3.01Å; E587-E590 PolarHBondContact O-N 2.81Å; E587-V591 WeakPolarHBondContact O-CB 2.78Å; E587-V591 WeakPolarHBondContact O-CG2 3.2Å; E587-V591 PolarHBondContact O-N 3.47Å |
| 588 | I | 87.5 | Confident | 88.5 | Confident | 90 Ų | 90 | 94 Ų | 94 | 46% | 0.462 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.5 | -35.2 | 177.6 | -76.4 | 167.5 | 0 | 0 | 0 | 110.9 | L584 T585 R592 | L584-I588 VanDerWaalsContact O-CB 3.29Å; L584-I588 WeakPolarHBondContact O-CB 3.34Å; L584-I588 WeakPolarHBondContact O-CD1 3.49Å; L584-I588 WeakPolarHBondContact O-CG1 3.39Å; L584-I588 PolarHBondContact O-N 3.36Å; T585-I588 PolarHBondContact O-N 3.29Å; I588-R592 WeakPolarHBondContact O-CB 3.26Å; I588-R592 WeakPolarHBondContact O-CD 3.36Å; I588-R592 WeakPolarHBondContact O-CG 3.39Å; I588-R592 PolarHBondContact O-N 3.29Å |
| 589 | E | 91.1 | Very high | 88.3 | Confident | 80 Ų | 80 | 94.2 Ų | 94.2 | 37% | 0.374 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -74.4 | -37.9 | 176.3 | -176.2 | 52 | -149.7 | 0 | 0 | 112.5 | T585 D586 E587 R592 Q593 | T585-E589 WeakPolarHBondContact O-CB 3.38Å; T585-E589 PolarHBondContact O-N 2.7Å; T585-E589 VanDerWaalsContact O-N 3.07Å; D586-E589 PolarHBondContact O-N 3.4Å; E587-E589 PolarHBondContact O-N 3.01Å; E589-R592 PolarHBondContact O-N 3.15Å; E589-R592 IonicContact OE2-NH1 2.71Å; E589-Q593 WeakPolarHBondContact O-CG 3.32Å; E589-Q593 PolarHBondContact O-N 2.88Å; E589-Q593 PolarHBondContact OE1-NE2 3.2Å |
| 590 | E | 89.8 | Confident | 88.2 | Confident | 134 Ų | 134 | 94.9 Ų | 94.9 | 63% | 0.626 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62.6 | -44.8 | 170.8 | -179.8 | 160.7 | -157.1 | 0 | 0 | 111.8 | D586 E587 R592 Q593 E594 | D586-E590 PolarHBondContact O-N 3.4Å; E587-E590 PolarHBondContact O-N 2.81Å; E590-R592 VanDerWaalsContact C-N 3.32Å; E590-R592 PolarHBondContact O-N 3.17Å; E590-Q593 PolarHBondContact O-N 2.95Å; E590-Q593 VanDerWaalsContact O-N 3.16Å; E590-E594 PolarHBondContact O-N 2.65Å |
| 591 | V | 85.1 | Confident | 88 | Confident | 102 Ų | 102 | 97 Ų | 97 | 62% | 0.618 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.2 | -37.9 | 175.9 | 171 | 0 | 0 | 0 | 0 | 111.5 | E587 L595 | E587-V591 WeakPolarHBondContact O-CB 2.78Å; E587-V591 WeakPolarHBondContact O-CG2 3.2Å; E587-V591 PolarHBondContact O-N 3.47Å; V591-L595 VanDerWaalsContact O-CB 3.23Å; V591-L595 WeakPolarHBondContact O-CB 3.37Å; V591-L595 PolarHBondContact O-N 3.49Å |
| 592 | R | 88.5 | Confident | 87.8 | Confident | 150 Ų | 150 | 98.2 Ų | 98.2 | 57% | 0.566 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -63.5 | -44 | 172.7 | -78.2 | 164.7 | 178.5 | -171.7 | 3 | 112 | I588 E589 E590 L595 T596 | I588-R592 WeakPolarHBondContact O-CB 3.26Å; I588-R592 WeakPolarHBondContact O-CD 3.36Å; I588-R592 WeakPolarHBondContact O-CG 3.39Å; I588-R592 PolarHBondContact O-N 3.29Å; E589-R592 PolarHBondContact O-N 3.15Å; E589-R592 IonicContact OE2-NH1 2.71Å; E590-R592 VanDerWaalsContact C-N 3.32Å; E590-R592 PolarHBondContact O-N 3.17Å; R592-L595 WeakPolarHBondContact O-CB 3.22Å; R592-L595 PolarHBondContact O-N 3.02Å; R592-T596 PolarHBondContact O-N 2.61Å |
| 593 | Q | 90.8 | Very high | 87.5 | Confident | 78 Ų | 78 | 97.5 Ų | 97.5 | 36% | 0.364 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.5 | -43.6 | 178.2 | -70.6 | 176.9 | 30.1 | 0 | 0 | 111.4 | E589 E590 L595 T596 R597 | E589-Q593 WeakPolarHBondContact O-CG 3.32Å; E589-Q593 PolarHBondContact O-N 2.88Å; E589-Q593 PolarHBondContact OE1-NE2 3.2Å; E590-Q593 PolarHBondContact O-N 2.95Å; E590-Q593 VanDerWaalsContact O-N 3.16Å; Q593-L595 VanDerWaalsContact C-N 3.3Å; Q593-L595 PolarHBondContact O-N 3.5Å; Q593-T596 WeakPolarHBondContact CA-OG1 3.44Å; Q593-T596 PolarHBondContact O-N 2.82Å; Q593-T596 VanDerWaalsContact O-N 3.08Å; Q593-T596 PolarHBondContact O-OG1 3.3Å; Q593-R597 WeakPolarHBondContact O-CG 3.4Å; Q593-R597 PolarHBondContact O-N 3.25Å; Q593-R597 VanDerWaalsContact OE1-NH2 3.16Å |
| 594 | E | 85.8 | Confident | 87.2 | Confident | 73 Ų | 73 | 97.6 Ų | 97.6 | 34% | 0.341 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.3 | -30.2 | 176.8 | -165.6 | 54.4 | -147 | 0 | 0 | 112.3 | E590 R597 A598 R601 | E590-E594 PolarHBondContact O-N 2.65Å; E594-R597 PolarHBondContact O-N 2.98Å; E594-R597 WeakPolarHBondContact OE2-CD 3.47Å; E594-R597 IonicContact OE2-CZ 3.33Å; E594-R597 IonicContact OE2-NE 2.72Å; E594-R597 IonicContact OE2-NH1 3.15Å; E594-R597 PolarHBondContact OE2-NH1 2.86Å; E594-A598 VanDerWaalsContact O-CB 3.28Å; E594-A598 WeakPolarHBondContact O-CB 3.22Å; E594-A598 PolarHBondContact O-N 3.43Å; E594-R601 IonicContact OE1-CZ 2.61Å; E594-R601 IonicContact OE1-NH1 3.69Å; E594-R601 PolarHBondContact OE1-NH1 2.93Å; E594-R601 IonicContact OE1-NH2 3.96Å; E594-R601 PolarHBondContact OE1-NH2 3.31Å |
| 595 | L | 84.4 | Confident | 87 | Confident | 91 Ų | 91 | 98.5 Ų | 98.5 | 48% | 0.476 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.3 | -38.1 | 167.8 | 179.2 | 63 | 0 | 0 | 0 | 112.3 | V591 R592 Q593 A598 K599 | V591-L595 VanDerWaalsContact O-CB 3.23Å; V591-L595 WeakPolarHBondContact O-CB 3.37Å; V591-L595 PolarHBondContact O-N 3.49Å; R592-L595 WeakPolarHBondContact O-CB 3.22Å; R592-L595 PolarHBondContact O-N 3.02Å; Q593-L595 VanDerWaalsContact C-N 3.3Å; Q593-L595 PolarHBondContact O-N 3.5Å; L595-A598 PolarHBondContact O-N 3.33Å; L595-K599 WeakPolarHBondContact O-CG 3.38Å; L595-K599 PolarHBondContact O-N 3.17Å |
| 596 | T | 88 | Confident | 86.8 | Confident | 81 Ų | 81 | 100 Ų | 100 | 50% | 0.497 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.5 | -43.3 | 172.4 | 57.3 | 0 | 0 | 0 | 0 | 111.9 | R592 Q593 A598 K599 E600 | R592-T596 PolarHBondContact O-N 2.61Å; Q593-T596 WeakPolarHBondContact CA-OG1 3.44Å; Q593-T596 PolarHBondContact O-N 2.82Å; Q593-T596 VanDerWaalsContact O-N 3.08Å; Q593-T596 PolarHBondContact O-OG1 3.3Å; T596-A598 VanDerWaalsContact C-N 3.3Å; T596-A598 PolarHBondContact O-N 3.44Å; T596-K599 PolarHBondContact O-N 3.14Å; T596-E600 WeakPolarHBondContact O-CG 3.3Å; T596-E600 PolarHBondContact O-N 3.29Å |
| 597 | R | 87.4 | Confident | 86.5 | Confident | 93 Ų | 93 | 100.7 Ų | 100.7 | 35% | 0.351 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64 | -34.5 | 174.7 | -62.4 | 179 | -151.6 | 119.2 | 2.3 | 111.9 | Q593 E594 E600 R601 | Q593-R597 WeakPolarHBondContact O-CG 3.4Å; Q593-R597 PolarHBondContact O-N 3.25Å; Q593-R597 VanDerWaalsContact OE1-NH2 3.16Å; E594-R597 PolarHBondContact O-N 2.98Å; E594-R597 WeakPolarHBondContact OE2-CD 3.47Å; E594-R597 IonicContact OE2-CZ 3.33Å; E594-R597 IonicContact OE2-NE 2.72Å; E594-R597 IonicContact OE2-NH1 3.15Å; E594-R597 PolarHBondContact OE2-NH1 2.86Å; R597-E600 PolarHBondContact O-N 2.83Å; R597-R601 VanDerWaalsContact O-CG 3.27Å; R597-R601 WeakPolarHBondContact O-CG 3.45Å; R597-R601 PolarHBondContact O-N 2.9Å; R597-R601 PolarHBondContact O-NE 2.86Å |
| 598 | A | 84.3 | Confident | 86.3 | Confident | 35 Ų | 35 | 99.7 Ų | 99.7 | 29% | 0.289 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.5 | -47 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | E594 L595 T596 E600 R601 E602 | E594-A598 VanDerWaalsContact O-CB 3.28Å; E594-A598 WeakPolarHBondContact O-CB 3.22Å; E594-A598 PolarHBondContact O-N 3.43Å; L595-A598 PolarHBondContact O-N 3.33Å; T596-A598 VanDerWaalsContact C-N 3.3Å; T596-A598 PolarHBondContact O-N 3.44Å; A598-E600 PolarHBondContact O-N 3.37Å; A598-R601 PolarHBondContact O-N 3.44Å; A598-E602 WeakPolarHBondContact O-CB 3.43Å; A598-E602 PolarHBondContact O-N 2.98Å |
| 599 | K | 85.1 | Confident | 86.1 | Confident | 110 Ų | 110 | 99.7 Ų | 99.7 | 48% | 0.478 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.1 | -36.9 | 175.8 | -72.5 | 175 | 178.3 | -179.2 | 0 | 112.9 | L595 T596 E602 I603 | L595-K599 WeakPolarHBondContact O-CG 3.38Å; L595-K599 PolarHBondContact O-N 3.17Å; T596-K599 PolarHBondContact O-N 3.14Å; K599-E602 PolarHBondContact O-N 2.89Å; K599-I603 WeakPolarHBondContact O-CB 3.49Å; K599-I603 WeakPolarHBondContact O-CD1 3.36Å; K599-I603 VanDerWaalsContact O-CG1 3.24Å; K599-I603 WeakPolarHBondContact O-CG1 3.32Å; K599-I603 PolarHBondContact O-N 3.39Å |
| 600 | E | 86 | Confident | 85.9 | Confident | 123 Ų | 123 | 100.6 Ų | 100.6 | 58% | 0.575 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.9 | -43.7 | 172.5 | -72.3 | 178.9 | 164 | 0 | 0 | 111.9 | T596 R597 A598 E602 I604 | T596-E600 WeakPolarHBondContact O-CG 3.3Å; T596-E600 PolarHBondContact O-N 3.29Å; R597-E600 PolarHBondContact O-N 2.83Å; A598-E600 PolarHBondContact O-N 3.37Å; E600-E602 VanDerWaalsContact C-N 3.31Å; E600-E602 PolarHBondContact O-N 3.35Å; E600-I604 WeakPolarHBondContact O-CB 3.3Å; E600-I604 WeakPolarHBondContact O-CD1 3.36Å; E600-I604 VanDerWaalsContact O-CG1 3.25Å; E600-I604 WeakPolarHBondContact O-CG1 3.27Å; E600-I604 PolarHBondContact O-N 3.45Å |
| 601 | R | 84.6 | Confident | 85.7 | Confident | 135 Ų | 135 | 100 Ų | 100 | 51% | 0.509 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.8 | -37.8 | 174 | -70.7 | 179.6 | -58.9 | -122.8 | 5.1 | 112.1 | E594 R597 A598 N605 | E594-R601 IonicContact OE1-CZ 2.61Å; E594-R601 IonicContact OE1-NH1 3.69Å; E594-R601 PolarHBondContact OE1-NH1 2.93Å; E594-R601 IonicContact OE1-NH2 3.96Å; E594-R601 PolarHBondContact OE1-NH2 3.31Å; R597-R601 VanDerWaalsContact O-CG 3.27Å; R597-R601 WeakPolarHBondContact O-CG 3.45Å; R597-R601 PolarHBondContact O-N 2.9Å; R597-R601 PolarHBondContact O-NE 2.86Å; A598-R601 PolarHBondContact O-N 3.44Å; R601-N605 WeakPolarHBondContact O-CB 3.45Å; R601-N605 PolarHBondContact O-N 3.01Å; R601-N605 VanDerWaalsContact O-N 3.09Å |
| 602 | E | 83.1 | Confident | 85.3 | Confident | 117 Ų | 117 | 99.3 Ų | 99.3 | 55% | 0.547 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.1 | -52.3 | 176.3 | -173 | 165.3 | -132.1 | 0 | 0 | 111.3 | A598 K599 E600 I604 N605 E606 | A598-E602 WeakPolarHBondContact O-CB 3.43Å; A598-E602 PolarHBondContact O-N 2.98Å; K599-E602 PolarHBondContact O-N 2.89Å; E600-E602 VanDerWaalsContact C-N 3.31Å; E600-E602 PolarHBondContact O-N 3.35Å; E602-I604 VanDerWaalsContact C-N 3.32Å; E602-I604 PolarHBondContact O-N 3.27Å; E602-N605 CarbonylContact O-C 3.57Å; E602-N605 WeakPolarHBondContact O-CA 3.35Å; E602-N605 WeakPolarHBondContact O-CB 3.26Å; E602-N605 PolarHBondContact O-N 2.98Å; E602-E606 WeakPolarHBondContact O-CG 3.26Å; E602-E606 PolarHBondContact O-N 3.37Å |
| 603 | I | 85.9 | Confident | 85.1 | Confident | 105 Ų | 105 | 95 Ų | 95 | 54% | 0.538 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -57.4 | -42.3 | 177.1 | -69.2 | 163 | 0 | 0 | 0 | 111.7 | K599 N605 E606 E607 | K599-I603 WeakPolarHBondContact O-CB 3.49Å; K599-I603 WeakPolarHBondContact O-CD1 3.36Å; K599-I603 VanDerWaalsContact O-CG1 3.24Å; K599-I603 WeakPolarHBondContact O-CG1 3.32Å; K599-I603 PolarHBondContact O-N 3.39Å; I603-N605 VanDerWaalsContact C-N 3.29Å; I603-N605 PolarHBondContact O-N 3.34Å; I603-E606 PolarHBondContact O-N 2.89Å; I603-E607 WeakPolarHBondContact O-CB 3.34Å; I603-E607 PolarHBondContact O-N 2.99Å |
| 604 | I | 84.2 | Confident | 84.9 | Confident | 108 Ų | 108 | 92.7 Ų | 92.7 | 55% | 0.554 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -64.6 | -35.5 | 176.3 | -69.2 | 166.4 | 0 | 0 | 0 | 111.2 | E600 E602 H608 | E600-I604 WeakPolarHBondContact O-CB 3.3Å; E600-I604 WeakPolarHBondContact O-CD1 3.36Å; E600-I604 VanDerWaalsContact O-CG1 3.25Å; E600-I604 WeakPolarHBondContact O-CG1 3.27Å; E600-I604 PolarHBondContact O-N 3.45Å; E602-I604 VanDerWaalsContact C-N 3.32Å; E602-I604 PolarHBondContact O-N 3.27Å; I604-H608 WeakPolarHBondContact O-CB 3.42Å; I604-H608 PolarHBondContact O-N 3.2Å |
| 605 | N | 82.5 | Confident | 85 | Confident | 87 Ų | 87 | 92.6 Ų | 92.6 | 47% | 0.465 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -73.2 | -41 | 176.6 | -171 | 50.6 | 0 | 0 | 0 | 112 | R601 E602 I603 H608 I609 | R601-N605 WeakPolarHBondContact O-CB 3.45Å; R601-N605 PolarHBondContact O-N 3.01Å; R601-N605 VanDerWaalsContact O-N 3.09Å; E602-N605 CarbonylContact O-C 3.57Å; E602-N605 WeakPolarHBondContact O-CA 3.35Å; E602-N605 WeakPolarHBondContact O-CB 3.26Å; E602-N605 PolarHBondContact O-N 2.98Å; I603-N605 VanDerWaalsContact C-N 3.29Å; I603-N605 PolarHBondContact O-N 3.34Å; N605-H608 PolarHBondContact O-N 3.31Å; N605-I609 WeakPolarHBondContact O-CB 3.31Å; N605-I609 VanDerWaalsContact O-CG1 3.25Å; N605-I609 WeakPolarHBondContact O-CG1 3.35Å; N605-I609 PolarHBondContact O-N 3.28Å |
| 606 | E | 85.7 | Confident | 84.8 | Confident | 114 Ų | 114 | 92 Ų | 92 | 53% | 0.533 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.9 | -45.4 | 171.4 | -70.4 | -174.9 | 146.1 | 0 | 0 | 111.6 | E602 I603 H608 I609 T610 | E602-E606 WeakPolarHBondContact O-CG 3.26Å; E602-E606 PolarHBondContact O-N 3.37Å; I603-E606 PolarHBondContact O-N 2.89Å; E606-H608 VanDerWaalsContact C-N 3.31Å; E606-H608 PolarHBondContact O-N 2.72Å; E606-I609 PolarHBondContact O-N 2.82Å; E606-T610 VanDerWaalsContact O-CB 3.32Å; E606-T610 WeakPolarHBondContact O-CB 3.44Å; E606-T610 PolarHBondContact O-N 3.2Å; E606-T610 PolarHBondContact O-OG1 2.67Å |
| 607 | E | 87.2 | Confident | 84.7 | Confident | 101 Ų | 101 | 92.3 Ų | 92.3 | 47% | 0.472 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.5 | -37.6 | 177.3 | -155.1 | -136.2 | 138.4 | 0 | 0 | 111.2 | I603 R611 | I603-E607 WeakPolarHBondContact O-CB 3.34Å; I603-E607 PolarHBondContact O-N 2.99Å; E607-R611 WeakPolarHBondContact O-CB 3.29Å; E607-R611 WeakPolarHBondContact O-CG 3.49Å; E607-R611 PolarHBondContact O-N 3.03Å; E607-R611 IonicContact OE1-CZ 2.71Å; E607-R611 VanDerWaalsContact OE1-CZ 3.25Å; E607-R611 IonicContact OE1-NE 2.71Å; E607-R611 PolarHBondContact OE1-NE 3.14Å; E607-R611 IonicContact OE1-NH2 3.57Å; E607-R611 PolarHBondContact OE1-NH2 2.96Å; E607-R611 IonicContact OE2-CZ 3.37Å; E607-R611 IonicContact OE2-NE 2.75Å; E607-R611 IonicContact OE2-NH2 3.16Å; E607-R611 PolarHBondContact OE2-NH2 3.49Å |
| 608 | H | 85.4 | Confident | 84.8 | Confident | 86 Ų | 86 | 94.5 Ų | 94.5 | 40% | 0.398 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.9 | -44.3 | 174.8 | -178 | -118.2 | 0 | 0 | 0 | 112.6 | I604 N605 E606 T610 R611 L612 | I604-H608 WeakPolarHBondContact O-CB 3.42Å; I604-H608 PolarHBondContact O-N 3.2Å; N605-H608 PolarHBondContact O-N 3.31Å; E606-H608 VanDerWaalsContact C-N 3.31Å; E606-H608 PolarHBondContact O-N 2.72Å; H608-T610 VanDerWaalsContact C-N 3.33Å; H608-T610 PolarHBondContact O-N 3.19Å; H608-R611 PolarHBondContact O-N 2.76Å; H608-L612 WeakPolarHBondContact O-CB 3.07Å; H608-L612 WeakPolarHBondContact O-CG 3.47Å; H608-L612 PolarHBondContact O-N 2.96Å |
| 609 | I | 83.1 | Confident | 84.8 | Confident | 91 Ų | 91 | 97.8 Ų | 97.8 | 47% | 0.467 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61 | -43.3 | 174.1 | -71.1 | 164.4 | 0 | 0 | 0 | 110.3 | N605 E606 L612 S613 | N605-I609 WeakPolarHBondContact O-CB 3.31Å; N605-I609 VanDerWaalsContact O-CG1 3.25Å; N605-I609 WeakPolarHBondContact O-CG1 3.35Å; N605-I609 PolarHBondContact O-N 3.28Å; E606-I609 PolarHBondContact O-N 2.82Å; I609-L612 PolarHBondContact O-N 3.15Å; I609-S613 PolarHBondContact O-N 2.72Å |
| 610 | T | 86.3 | Confident | 84.7 | Confident | 99 Ų | 99 | 97.2 Ų | 97.2 | 61% | 0.607 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.5 | -44.1 | 176.6 | -56.5 | 0 | 0 | 0 | 0 | 111.4 | E606 H608 L612 S613 G614 | E606-T610 VanDerWaalsContact O-CB 3.32Å; E606-T610 WeakPolarHBondContact O-CB 3.44Å; E606-T610 PolarHBondContact O-N 3.2Å; E606-T610 PolarHBondContact O-OG1 2.67Å; H608-T610 VanDerWaalsContact C-N 3.33Å; H608-T610 PolarHBondContact O-N 3.19Å; T610-L612 VanDerWaalsContact C-N 3.33Å; T610-L612 PolarHBondContact O-N 3.37Å; T610-S613 PolarHBondContact O-N 3.48Å; T610-G614 PolarHBondContact O-N 3.45Å |
| 611 | R | 86.8 | Confident | 84.7 | Confident | 120 Ų | 120 | 96.1 Ų | 96.1 | 45% | 0.453 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.5 | -35.7 | 173.9 | -78.9 | -170.3 | -102.5 | 110.8 | -7.7 | 112.8 | E607 H608 T615 | E607-R611 WeakPolarHBondContact O-CB 3.29Å; E607-R611 WeakPolarHBondContact O-CG 3.49Å; E607-R611 PolarHBondContact O-N 3.03Å; E607-R611 IonicContact OE1-CZ 2.71Å; E607-R611 VanDerWaalsContact OE1-CZ 3.25Å; E607-R611 IonicContact OE1-NE 2.71Å; E607-R611 PolarHBondContact OE1-NE 3.14Å; E607-R611 IonicContact OE1-NH2 3.57Å; E607-R611 PolarHBondContact OE1-NH2 2.96Å; E607-R611 IonicContact OE2-CZ 3.37Å; E607-R611 IonicContact OE2-NE 2.75Å; E607-R611 IonicContact OE2-NH2 3.16Å; E607-R611 PolarHBondContact OE2-NH2 3.49Å; H608-R611 PolarHBondContact O-N 2.76Å; R611-T615 WeakPolarHBondContact O-CB 3.48Å; R611-T615 PolarHBondContact O-N 3.23Å; R611-T615 PolarHBondContact O-OG1 2.67Å |
| 612 | L | 76.6 | Confident | 84.7 | Confident | 89 Ų | 89 | 93.9 Ų | 93.9 | 47% | 0.466 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -70.9 | -46.5 | 175.3 | -75.8 | 174.7 | 0 | 0 | 0 | 112.1 | H608 I609 T610 G614 T615 V616 | H608-L612 WeakPolarHBondContact O-CB 3.07Å; H608-L612 WeakPolarHBondContact O-CG 3.47Å; H608-L612 PolarHBondContact O-N 2.96Å; I609-L612 PolarHBondContact O-N 3.15Å; T610-L612 VanDerWaalsContact C-N 3.33Å; T610-L612 PolarHBondContact O-N 3.37Å; L612-G614 PolarHBondContact O-N 2.97Å; L612-T615 WeakPolarHBondContact O-CA 3.38Å; L612-T615 WeakPolarHBondContact O-CB 3.45Å; L612-T615 PolarHBondContact O-N 3.13Å; L612-V616 PolarHBondContact O-N 2.72Å |
| 613 | S | 83.1 | Confident | 84.6 | Confident | 60 Ų | 60 | 91.6 Ų | 91.6 | 42% | 0.42 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -55.5 | -55.4 | 175.8 | -167.6 | 0 | 0 | 0 | 0 | 110.3 | I609 T610 T615 V616 D617 | I609-S613 PolarHBondContact O-N 2.72Å; T610-S613 PolarHBondContact O-N 3.48Å; S613-T615 PolarHBondContact O-N 3.38Å; S613-V616 CarbonylContact O-C 3.59Å; S613-V616 WeakPolarHBondContact O-CA 3.43Å; S613-V616 PolarHBondContact O-N 3.3Å; S613-D617 PolarHBondContact O-N 3.26Å; S613-D617 PolarHBondContact OG-OD2 3.35Å |
| 614 | G | 87.3 | Confident | 84.4 | Confident | 28 Ų | 28 | 90.4 Ų | 90.4 | 29% | 0.289 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.5 | -1.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | T610 L612 K618 | T610-G614 PolarHBondContact O-N 3.45Å; L612-G614 PolarHBondContact O-N 2.97Å; G614-K618 VanDerWaalsContact O-CD 3.27Å; G614-K618 WeakPolarHBondContact O-CD 3.49Å; G614-K618 WeakPolarHBondContact O-CE 3.4Å; G614-K618 WeakPolarHBondContact O-CG 3.36Å |
| 615 | T | 88.6 | Confident | 84.5 | Confident | 72 Ų | 72 | 89.5 Ų | 89.5 | 44% | 0.442 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -97.5 | -41.9 | 167 | -58.5 | 0 | 0 | 0 | 0 | 111.1 | R611 L612 S613 K618 L619 | R611-T615 WeakPolarHBondContact O-CB 3.48Å; R611-T615 PolarHBondContact O-N 3.23Å; R611-T615 PolarHBondContact O-OG1 2.67Å; L612-T615 WeakPolarHBondContact O-CA 3.38Å; L612-T615 WeakPolarHBondContact O-CB 3.45Å; L612-T615 PolarHBondContact O-N 3.13Å; S613-T615 PolarHBondContact O-N 3.38Å; T615-K618 PolarHBondContact O-N 2.93Å; T615-L619 HydrophobicContact CG2-CD1 4.43Å; T615-L619 WeakPolarHBondContact O-CG 3.36Å; T615-L619 PolarHBondContact O-N 2.96Å |
| 616 | V | 79 | Confident | 84.6 | Confident | 79 Ų | 79 | 93.2 Ų | 93.2 | 48% | 0.479 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 171.5 | 173.6 | 0 | 0 | 0 | 0 | 110.6 | L612 S613 K618 L619 L620 | L612-V616 PolarHBondContact O-N 2.72Å; S613-V616 CarbonylContact O-C 3.59Å; S613-V616 WeakPolarHBondContact O-CA 3.43Å; S613-V616 PolarHBondContact O-N 3.3Å; V616-K618 VanDerWaalsContact C-N 3.25Å; V616-K618 PolarHBondContact O-N 3.06Å; V616-L619 PolarHBondContact O-N 2.79Å; V616-L620 HydrophobicContact CG1-CD1 3.87Å; V616-L620 HydrophobicContact CG1-CG 4.21Å; V616-L620 WeakPolarHBondContact O-CG 3.45Å; V616-L620 PolarHBondContact O-N 2.9Å |
| 617 | D | 86.6 | Confident | 84.6 | Confident | 86 Ų | 86 | 92.5 Ų | 92.5 | 46% | 0.46 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -57.1 | -38.8 | 177.7 | -61.6 | -40.2 | 0 | 0 | 0 | 111.7 | S613 Q621 | S613-D617 PolarHBondContact O-N 3.26Å; S613-D617 PolarHBondContact OG-OD2 3.35Å; D617-Q621 VanDerWaalsContact O-CB 3.28Å; D617-Q621 WeakPolarHBondContact O-CB 3.37Å; D617-Q621 PolarHBondContact O-N 3.46Å |
| 618 | K | 89.6 | Confident | 84.6 | Confident | 140 Ų | 140 | 93.9 Ų | 93.9 | 61% | 0.609 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -69.7 | -40.4 | 174.5 | -73.4 | 173.7 | -173.4 | 164.1 | 0 | 112.8 | G614 T615 V616 L620 Q621 E622 | G614-K618 VanDerWaalsContact O-CD 3.27Å; G614-K618 WeakPolarHBondContact O-CD 3.49Å; G614-K618 WeakPolarHBondContact O-CE 3.4Å; G614-K618 WeakPolarHBondContact O-CG 3.36Å; T615-K618 PolarHBondContact O-N 2.93Å; V616-K618 VanDerWaalsContact C-N 3.25Å; V616-K618 PolarHBondContact O-N 3.06Å; K618-L620 VanDerWaalsContact C-N 3.34Å; K618-Q621 PolarHBondContact O-N 3.17Å; K618-E622 WeakPolarHBondContact O-CB 3.43Å; K618-E622 WeakPolarHBondContact O-CG 3.38Å; K618-E622 PolarHBondContact O-N 3.49Å |
| 619 | L | 84.6 | Confident | 84.7 | Confident | 104 Ų | 104 | 94.7 Ų | 94.7 | 55% | 0.545 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.3 | -35.6 | 177.1 | -70 | 170.6 | 0 | 0 | 0 | 111.8 | T615 V616 S623 | T615-L619 HydrophobicContact CG2-CD1 4.43Å; T615-L619 WeakPolarHBondContact O-CG 3.36Å; T615-L619 PolarHBondContact O-N 2.96Å; V616-L619 PolarHBondContact O-N 2.79Å; L619-S623 VanDerWaalsContact O-CB 3.29Å; L619-S623 WeakPolarHBondContact O-CB 3.27Å; L619-S623 PolarHBondContact O-N 3.37Å |
| 620 | L | 81.9 | Confident | 84.6 | Confident | 97 Ų | 97 | 95.4 Ų | 95.4 | 51% | 0.508 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.9 | -42.6 | 171.9 | -68.5 | 174.7 | 0 | 0 | 0 | 111.3 | V616 K618 S623 N624 | V616-L620 HydrophobicContact CG1-CD1 3.87Å; V616-L620 HydrophobicContact CG1-CG 4.21Å; V616-L620 WeakPolarHBondContact O-CG 3.45Å; V616-L620 PolarHBondContact O-N 2.9Å; K618-L620 VanDerWaalsContact C-N 3.34Å; L620-S623 PolarHBondContact O-N 3.48Å; L620-N624 WeakPolarHBondContact O-CB 3.34Å; L620-N624 PolarHBondContact O-N 2.85Å; L620-N624 PolarHBondContact O-ND2 2.85Å |
| 621 | Q | 87 | Confident | 84.5 | Confident | 101 Ų | 101 | 95.2 Ų | 95.2 | 47% | 0.472 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.1 | -48.9 | 173.6 | -178 | 62.5 | 21.8 | 0 | 0 | 111.6 | D617 K618 S623 N624 E625 | D617-Q621 VanDerWaalsContact O-CB 3.28Å; D617-Q621 WeakPolarHBondContact O-CB 3.37Å; D617-Q621 PolarHBondContact O-N 3.46Å; K618-Q621 PolarHBondContact O-N 3.17Å; Q621-S623 VanDerWaalsContact C-N 3.29Å; Q621-S623 PolarHBondContact O-N 2.78Å; Q621-N624 PolarHBondContact O-N 3.41Å; Q621-E625 WeakPolarHBondContact CG-OE1 3.03Å; Q621-E625 PolarHBondContact NE2-OE1 3.29Å; Q621-E625 WeakPolarHBondContact O-CB 3.49Å; Q621-E625 WeakPolarHBondContact O-CG 3.35Å; Q621-E625 PolarHBondContact O-N 3.22Å |
| 622 | E | 84.8 | Confident | 84.5 | Confident | 87 Ų | 87 | 95.9 Ų | 95.9 | 41% | 0.407 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.5 | -38.5 | 174.6 | -80.4 | -169.6 | -135.1 | 0 | 0 | 112.3 | K618 R626 | K618-E622 WeakPolarHBondContact O-CB 3.43Å; K618-E622 WeakPolarHBondContact O-CG 3.38Å; K618-E622 PolarHBondContact O-N 3.49Å; E622-R626 WeakPolarHBondContact O-CB 3.32Å; E622-R626 WeakPolarHBondContact O-CD 3.29Å; E622-R626 WeakPolarHBondContact O-CG 3.14Å; E622-R626 PolarHBondContact O-N 2.99Å; E622-R626 IonicContact OE2-CZ 3.55Å; E622-R626 IonicContact OE2-NH2 3.93Å; E622-R626 PolarHBondContact OE2-NH2 3.43Å |
| 623 | S | 79.8 | Confident | 84.8 | Confident | 69 Ų | 69 | 97.6 Ų | 97.6 | 48% | 0.483 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.8 | -45.6 | 176.6 | -167.7 | 0 | 0 | 0 | 0 | 111.5 | L619 L620 Q621 R626 L627 | L619-S623 VanDerWaalsContact O-CB 3.29Å; L619-S623 WeakPolarHBondContact O-CB 3.27Å; L619-S623 PolarHBondContact O-N 3.37Å; L620-S623 PolarHBondContact O-N 3.48Å; Q621-S623 VanDerWaalsContact C-N 3.29Å; Q621-S623 PolarHBondContact O-N 2.78Å; S623-R626 PolarHBondContact O-N 3.34Å; S623-L627 WeakPolarHBondContact O-CB 3.43Å; S623-L627 PolarHBondContact O-N 2.92Å |
| 624 | N | 81.7 | Confident | 84.8 | Confident | 80 Ų | 80 | 102.6 Ų | 102.6 | 43% | 0.428 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.6 | -41.1 | 176.7 | -75.7 | -21.9 | 0 | 0 | 0 | 112 | L620 Q621 L627 Q628 | L620-N624 WeakPolarHBondContact O-CB 3.34Å; L620-N624 PolarHBondContact O-N 2.85Å; L620-N624 PolarHBondContact O-ND2 2.85Å; Q621-N624 PolarHBondContact O-N 3.41Å; N624-L627 PolarHBondContact O-N 2.65Å; N624-Q628 WeakPolarHBondContact O-CB 2.94Å; N624-Q628 VanDerWaalsContact O-CG 3.29Å; N624-Q628 WeakPolarHBondContact O-CG 2.98Å; N624-Q628 PolarHBondContact O-N 2.84Å |
| 625 | E | 86.9 | Confident | 84.3 | Confident | 89 Ų | 89 | 106.9 Ų | 106.9 | 42% | 0.416 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 174.6 | -75.6 | 175.3 | -166.3 | 0 | 0 | 111.7 | Q621 Q628 N629 | Q621-E625 WeakPolarHBondContact CG-OE1 3.03Å; Q621-E625 PolarHBondContact NE2-OE1 3.29Å; Q621-E625 WeakPolarHBondContact O-CB 3.49Å; Q621-E625 WeakPolarHBondContact O-CG 3.35Å; Q621-E625 PolarHBondContact O-N 3.22Å; E625-Q628 PolarHBondContact O-N 2.66Å; E625-N629 WeakPolarHBondContact O-CB 3.38Å; E625-N629 PolarHBondContact O-N 2.83Å; E625-N629 PolarHBondContact O-ND2 3.33Å |
| 626 | R | 85 | Confident | 84 | Confident | 166 Ų | 166 | 105.6 Ų | 105.6 | 63% | 0.626 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63 | -41.4 | 174 | -68.6 | 164.7 | -160.7 | -166.9 | 8.1 | 111.6 | E622 S623 H630 | E622-R626 WeakPolarHBondContact O-CB 3.32Å; E622-R626 WeakPolarHBondContact O-CD 3.29Å; E622-R626 WeakPolarHBondContact O-CG 3.14Å; E622-R626 PolarHBondContact O-N 2.99Å; E622-R626 IonicContact OE2-CZ 3.55Å; E622-R626 IonicContact OE2-NH2 3.93Å; E622-R626 PolarHBondContact OE2-NH2 3.43Å; S623-R626 PolarHBondContact O-N 3.34Å; R626-H630 PolarHBondContact O-N 3.26Å |
| 627 | L | 86.2 | Confident | 84.1 | Confident | 99 Ų | 99 | 104.6 Ų | 104.6 | 52% | 0.518 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.5 | -43 | 177.1 | -179.7 | 59.2 | 0 | 0 | 0 | 112.2 | S623 N624 H630 L631 | S623-L627 WeakPolarHBondContact O-CB 3.43Å; S623-L627 PolarHBondContact O-N 2.92Å; N624-L627 PolarHBondContact O-N 2.65Å; L627-H630 PolarHBondContact O-N 2.94Å; L627-L631 HydrophobicContact CD1-CD1 4.35Å; L627-L631 HydrophobicContact CG-CD1 4.14Å; L627-L631 WeakPolarHBondContact O-CB 3.45Å; L627-L631 WeakPolarHBondContact O-CG 3.16Å; L627-L631 PolarHBondContact O-N 3.27Å |
| 628 | Q | 85.9 | Confident | 83.5 | Confident | 129 Ų | 129 | 104.8 Ų | 104.8 | 60% | 0.603 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.8 | -43.1 | 175.2 | -75.7 | 176.7 | 5.6 | 0 | 0 | 111.7 | N624 E625 H630 L631 Q632 | N624-Q628 WeakPolarHBondContact O-CB 2.94Å; N624-Q628 VanDerWaalsContact O-CG 3.29Å; N624-Q628 WeakPolarHBondContact O-CG 2.98Å; N624-Q628 PolarHBondContact O-N 2.84Å; E625-Q628 PolarHBondContact O-N 2.66Å; Q628-H630 PolarHBondContact O-N 3.03Å; Q628-L631 PolarHBondContact O-N 3.04Å; Q628-Q632 WeakPolarHBondContact O-CB 3.47Å; Q628-Q632 PolarHBondContact O-N 3.37Å |
| 629 | N | 87 | Confident | 83.2 | Confident | 104 Ų | 104 | 104.4 Ų | 104.4 | 56% | 0.556 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60 | -45.7 | 174.2 | -78.4 | -58.8 | 0 | 0 | 0 | 111.5 | E625 L631 Q632 E633 | E625-N629 WeakPolarHBondContact O-CB 3.38Å; E625-N629 PolarHBondContact O-N 2.83Å; E625-N629 PolarHBondContact O-ND2 3.33Å; N629-L631 PolarHBondContact O-N 2.89Å; N629-Q632 WeakPolarHBondContact O-CB 3.27Å; N629-Q632 PolarHBondContact O-N 2.62Å; N629-Q632 VanDerWaalsContact O-N 3.17Å; N629-E633 WeakPolarHBondContact O-CG 3.46Å; N629-E633 PolarHBondContact O-N 2.72Å |
| 630 | H | 82.9 | Confident | 83 | Confident | 106 Ų | 106 | 105.3 Ų | 105.3 | 49% | 0.491 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.5 | -34.5 | 178.6 | -169.8 | 52 | 0 | 0 | 0 | 113.3 | R626 L627 Q628 E633 R634 | R626-H630 PolarHBondContact O-N 3.26Å; L627-H630 PolarHBondContact O-N 2.94Å; Q628-H630 PolarHBondContact O-N 3.03Å; H630-E633 IonicContact ND1-OE2 2.97Å; H630-E633 PolarHBondContact ND1-OE2 3.37Å; H630-R634 WeakPolarHBondContact O-CB 3.39Å; H630-R634 PolarHBondContact O-N 3.29Å |
| 631 | L | 82.4 | Confident | 83 | Confident | 95 Ų | 95 | 107.8 Ų | 107.8 | 50% | 0.497 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64 | -41.5 | 170.1 | -79.5 | 163.8 | 0 | 0 | 0 | 111.5 | L627 Q628 N629 R634 M635 | L627-L631 HydrophobicContact CD1-CD1 4.35Å; L627-L631 HydrophobicContact CG-CD1 4.14Å; L627-L631 WeakPolarHBondContact O-CB 3.45Å; L627-L631 WeakPolarHBondContact O-CG 3.16Å; L627-L631 PolarHBondContact O-N 3.27Å; Q628-L631 PolarHBondContact O-N 3.04Å; N629-L631 PolarHBondContact O-N 2.89Å; L631-R634 PolarHBondContact O-N 2.84Å; L631-M635 WeakPolarHBondContact O-CB 3.25Å; L631-M635 VanDerWaalsContact O-CG 3.31Å; L631-M635 WeakPolarHBondContact O-CG 3.5Å; L631-M635 PolarHBondContact O-N 2.86Å |
| 632 | Q | 87.1 | Confident | 82.9 | Confident | 133 Ų | 133 | 109.1 Ų | 109.1 | 62% | 0.621 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.4 | -41.6 | 177.6 | -174.6 | 62.8 | 16.2 | 0 | 0 | 112.2 | Q628 N629 R634 M635 S636 | Q628-Q632 WeakPolarHBondContact O-CB 3.47Å; Q628-Q632 PolarHBondContact O-N 3.37Å; N629-Q632 WeakPolarHBondContact O-CB 3.27Å; N629-Q632 PolarHBondContact O-N 2.62Å; N629-Q632 VanDerWaalsContact O-N 3.17Å; Q632-R634 VanDerWaalsContact C-N 3.34Å; Q632-M635 PolarHBondContact O-N 2.8Å; Q632-S636 WeakPolarHBondContact O-CB 3.23Å; Q632-S636 PolarHBondContact O-N 3.06Å |
| 633 | E | 83.4 | Confident | 82.9 | Confident | 126 Ų | 126 | 109.2 Ų | 109.2 | 59% | 0.589 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -57.5 | -47.1 | 170.4 | -72.8 | 175.4 | 160.8 | 0 | 0 | 111.2 | N629 H630 S636 A637 | N629-E633 WeakPolarHBondContact O-CG 3.46Å; N629-E633 PolarHBondContact O-N 2.72Å; H630-E633 IonicContact ND1-OE2 2.97Å; H630-E633 PolarHBondContact ND1-OE2 3.37Å; E633-S636 PolarHBondContact O-N 3.37Å; E633-A637 WeakPolarHBondContact O-CB 3.37Å; E633-A637 PolarHBondContact O-N 3.17Å |
| 634 | R | 83.1 | Confident | 83 | Confident | 165 Ų | 165 | 110.9 Ų | 110.9 | 62% | 0.623 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65 | -38.8 | 179.2 | -174.8 | 173.2 | 178.7 | 142 | -3.7 | 112.4 | H630 L631 Q632 A637 L638 | H630-R634 WeakPolarHBondContact O-CB 3.39Å; H630-R634 PolarHBondContact O-N 3.29Å; L631-R634 PolarHBondContact O-N 2.84Å; Q632-R634 VanDerWaalsContact C-N 3.34Å; R634-A637 PolarHBondContact O-N 2.75Å; R634-L638 HydrophobicContact CG-CD1 4.38Å; R634-L638 WeakPolarHBondContact O-CB 3.42Å; R634-L638 VanDerWaalsContact O-CG 3.28Å; R634-L638 WeakPolarHBondContact O-CG 3.48Å; R634-L638 PolarHBondContact O-N 2.94Å |
| 635 | M | 77.2 | Confident | 82.7 | Confident | 118 Ų | 118 | 110.6 Ų | 110.6 | 58% | 0.581 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.4 | -45.6 | 173.7 | -74.8 | -63.3 | -69.1 | 0 | 0 | 111.4 | L631 Q632 A637 L638 E639 | L631-M635 WeakPolarHBondContact O-CB 3.25Å; L631-M635 VanDerWaalsContact O-CG 3.31Å; L631-M635 WeakPolarHBondContact O-CG 3.5Å; L631-M635 PolarHBondContact O-N 2.86Å; Q632-M635 PolarHBondContact O-N 2.8Å; M635-A637 PolarHBondContact O-N 3.37Å; M635-L638 PolarHBondContact O-N 3.13Å; M635-E639 PolarHBondContact O-N 3.48Å |
| 636 | S | 83.1 | Confident | 82.6 | Confident | 45 Ų | 45 | 111 Ų | 111 | 32% | 0.315 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.8 | -39.2 | 176.5 | -169 | 0 | 0 | 0 | 0 | 112.3 | Q632 E633 L638 E639 Q640 | Q632-S636 WeakPolarHBondContact O-CB 3.23Å; Q632-S636 PolarHBondContact O-N 3.06Å; E633-S636 PolarHBondContact O-N 3.37Å; S636-L638 VanDerWaalsContact C-N 3.35Å; S636-L638 PolarHBondContact O-N 2.81Å; S636-E639 PolarHBondContact O-N 3.02Å; S636-Q640 WeakPolarHBondContact O-CB 3.46Å; S636-Q640 VanDerWaalsContact O-CG 3.31Å; S636-Q640 WeakPolarHBondContact O-CG 3.43Å; S636-Q640 PolarHBondContact O-N 3.26Å |
| 637 | A | 80 | Confident | 82.3 | Confident | 58 Ų | 58 | 107.3 Ų | 107.3 | 48% | 0.479 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.4 | -35.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E633 R634 M635 K641 | E633-A637 WeakPolarHBondContact O-CB 3.37Å; E633-A637 PolarHBondContact O-N 3.17Å; R634-A637 PolarHBondContact O-N 2.75Å; M635-A637 PolarHBondContact O-N 3.37Å; A637-K641 WeakPolarHBondContact O-CB 3.45Å; A637-K641 PolarHBondContact O-N 3.01Å |
| 638 | L | 74.7 | Confident | 81.8 | Confident | 89 Ų | 89 | 107.2 Ų | 107.2 | 47% | 0.466 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.4 | -41.5 | 173.5 | -74.8 | 168.9 | 0 | 0 | 0 | 112 | R634 M635 S636 K641 Q642 | R634-L638 HydrophobicContact CG-CD1 4.38Å; R634-L638 WeakPolarHBondContact O-CB 3.42Å; R634-L638 VanDerWaalsContact O-CG 3.28Å; R634-L638 WeakPolarHBondContact O-CG 3.48Å; R634-L638 PolarHBondContact O-N 2.94Å; M635-L638 PolarHBondContact O-N 3.13Å; S636-L638 VanDerWaalsContact C-N 3.35Å; S636-L638 PolarHBondContact O-N 2.81Å; L638-K641 PolarHBondContact O-N 3.15Å; L638-Q642 WeakPolarHBondContact O-CB 3.28Å; L638-Q642 PolarHBondContact O-N 3.19Å |
| 639 | E | 82.7 | Confident | 81.3 | Confident | 133 Ų | 133 | 104.3 Ų | 104.3 | 62% | 0.621 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.6 | -44.6 | 174.3 | -174.3 | -178.5 | -165.5 | 0 | 0 | 111.5 | M635 S636 K641 Q642 N643 | M635-E639 PolarHBondContact O-N 3.48Å; S636-E639 PolarHBondContact O-N 3.02Å; E639-K641 PolarHBondContact O-N 3.27Å; E639-Q642 PolarHBondContact O-N 3.27Å; E639-N643 WeakPolarHBondContact O-CB 3.44Å; E639-N643 PolarHBondContact O-N 3.04Å |
| 640 | Q | 81.3 | Confident | 81.2 | Confident | 122 Ų | 122 | 105.9 Ų | 105.9 | 57% | 0.57 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.4 | -43.5 | 173.4 | -73 | 179.1 | 30.1 | 0 | 0 | 111.7 | S636 Q642 N643 L644 | S636-Q640 WeakPolarHBondContact O-CB 3.46Å; S636-Q640 VanDerWaalsContact O-CG 3.31Å; S636-Q640 WeakPolarHBondContact O-CG 3.43Å; S636-Q640 PolarHBondContact O-N 3.26Å; Q640-Q642 VanDerWaalsContact C-N 3.35Å; Q640-Q642 PolarHBondContact O-N 3.47Å; Q640-N643 PolarHBondContact O-N 3.36Å; Q640-L644 WeakPolarHBondContact O-CB 3.49Å; Q640-L644 WeakPolarHBondContact O-CG 3.34Å; Q640-L644 PolarHBondContact O-N 3.48Å |
| 641 | K | 81.3 | Confident | 80.9 | Confident | 150 Ų | 150 | 106 Ų | 106 | 65% | 0.652 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.5 | -41.2 | 174.9 | -177.8 | -177.5 | 176 | -175.8 | 0 | 111.9 | A637 L638 E639 S645 | A637-K641 WeakPolarHBondContact O-CB 3.45Å; A637-K641 PolarHBondContact O-N 3.01Å; L638-K641 PolarHBondContact O-N 3.15Å; E639-K641 PolarHBondContact O-N 3.27Å; K641-S645 WeakPolarHBondContact O-CB 3.48Å; K641-S645 PolarHBondContact O-N 2.84Å |
| 642 | Q | 84.2 | Confident | 80.7 | Confident | 129 Ų | 129 | 106.2 Ų | 106.2 | 60% | 0.603 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.5 | -42.4 | 177.1 | -173.8 | 175.3 | -0.5 | 0 | 0 | 111.5 | L638 E639 Q640 S645 N646 | L638-Q642 WeakPolarHBondContact O-CB 3.28Å; L638-Q642 PolarHBondContact O-N 3.19Å; E639-Q642 PolarHBondContact O-N 3.27Å; Q640-Q642 VanDerWaalsContact C-N 3.35Å; Q640-Q642 PolarHBondContact O-N 3.47Å; Q642-S645 WeakPolarHBondContact O-CB 3.45Å; Q642-S645 PolarHBondContact O-N 3.13Å; Q642-N646 VanDerWaalsContact O-CG 3.24Å; Q642-N646 PolarHBondContact O-N 2.79Å; Q642-N646 PolarHBondContact O-ND2 2.92Å |
| 643 | N | 85.7 | Confident | 80.5 | Confident | 88 Ų | 88 | 106.8 Ų | 106.8 | 47% | 0.471 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.3 | -47 | 175.2 | -168.6 | -19.5 | 0 | 0 | 0 | 111.5 | E639 Q640 S645 N646 Q647 | E639-N643 WeakPolarHBondContact O-CB 3.44Å; E639-N643 PolarHBondContact O-N 3.04Å; Q640-N643 PolarHBondContact O-N 3.36Å; N643-S645 VanDerWaalsContact C-N 3.34Å; N643-S645 PolarHBondContact O-N 2.96Å; N643-N646 PolarHBondContact O-N 3.37Å; N643-Q647 WeakPolarHBondContact O-CG 3.38Å; N643-Q647 PolarHBondContact O-N 3.43Å; N643-Q647 PolarHBondContact OD1-NE2 3.29Å |
| 644 | L | 80.4 | Confident | 80.3 | Confident | 104 Ų | 104 | 103.3 Ų | 103.3 | 55% | 0.545 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.1 | -40.3 | 173.9 | -72.1 | 170.3 | 0 | 0 | 0 | 112.2 | Q640 N646 Q647 V648 | Q640-L644 WeakPolarHBondContact O-CB 3.49Å; Q640-L644 WeakPolarHBondContact O-CG 3.34Å; Q640-L644 PolarHBondContact O-N 3.48Å; L644-N646 VanDerWaalsContact C-N 3.34Å; L644-N646 PolarHBondContact O-N 3.05Å; L644-Q647 PolarHBondContact O-N 3.31Å; L644-V648 WeakPolarHBondContact O-CG2 3.29Å; L644-V648 PolarHBondContact O-N 3.29Å |
| 645 | S | 75.9 | Confident | 80 | Confident | 75 Ų | 75 | 100.4 Ų | 100.4 | 52% | 0.524 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 174.7 | -166.6 | 0 | 0 | 0 | 0 | 112 | K641 Q642 N643 V648 E649 | K641-S645 WeakPolarHBondContact O-CB 3.48Å; K641-S645 PolarHBondContact O-N 2.84Å; Q642-S645 WeakPolarHBondContact O-CB 3.45Å; Q642-S645 PolarHBondContact O-N 3.13Å; N643-S645 VanDerWaalsContact C-N 3.34Å; N643-S645 PolarHBondContact O-N 2.96Å; S645-V648 PolarHBondContact O-N 2.86Å; S645-E649 WeakPolarHBondContact O-CB 3.39Å; S645-E649 PolarHBondContact O-N 2.85Å |
| 646 | N | 84.8 | Confident | 80 | Confident | 98 Ų | 98 | 97.9 Ų | 97.9 | 52% | 0.524 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.5 | -38.1 | 175.3 | -69.2 | -16.1 | 0 | 0 | 0 | 111.9 | Q642 N643 L644 E649 Q650 | Q642-N646 VanDerWaalsContact O-CG 3.24Å; Q642-N646 PolarHBondContact O-N 2.79Å; Q642-N646 PolarHBondContact O-ND2 2.92Å; N643-N646 PolarHBondContact O-N 3.37Å; L644-N646 VanDerWaalsContact C-N 3.34Å; L644-N646 PolarHBondContact O-N 3.05Å; N646-E649 PolarHBondContact O-N 3.34Å; N646-Q650 VanDerWaalsContact O-CB 3.32Å; N646-Q650 WeakPolarHBondContact O-CB 3.33Å; N646-Q650 PolarHBondContact O-N 3.08Å |
| 647 | Q | 79.2 | Confident | 80 | Confident | 87 Ų | 87 | 98.5 Ų | 98.5 | 41% | 0.407 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.9 | -42.1 | 175.1 | -71 | 176.1 | 41 | 0 | 0 | 112.2 | N643 L644 Q650 I651 | N643-Q647 WeakPolarHBondContact O-CG 3.38Å; N643-Q647 PolarHBondContact O-N 3.43Å; N643-Q647 PolarHBondContact OD1-NE2 3.29Å; L644-Q647 PolarHBondContact O-N 3.31Å; Q647-Q650 PolarHBondContact O-N 2.93Å; Q647-I651 WeakPolarHBondContact O-CB 3.36Å; Q647-I651 VanDerWaalsContact O-CG1 3.24Å; Q647-I651 WeakPolarHBondContact O-CG1 3.47Å; Q647-I651 PolarHBondContact O-N 2.94Å |
| 648 | V | 74.7 | Confident | 79.8 | Confident | 98 Ų | 98 | 98.1 Ų | 98.1 | 59% | 0.594 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61 | -45.4 | 174.9 | 168.3 | 0 | 0 | 0 | 0 | 110.8 | L644 S645 I651 K652 | L644-V648 WeakPolarHBondContact O-CG2 3.29Å; L644-V648 PolarHBondContact O-N 3.29Å; S645-V648 PolarHBondContact O-N 2.86Å; V648-I651 PolarHBondContact O-N 3.2Å; V648-K652 WeakPolarHBondContact O-CB 3.33Å; V648-K652 PolarHBondContact O-N 3.08Å |
| 649 | E | 77.3 | Confident | 80.1 | Confident | 68 Ų | 68 | 97 Ų | 97 | 32% | 0.318 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.8 | -36.8 | 176.4 | 176.7 | 61 | -170.1 | 0 | 0 | 112.3 | S645 N646 K652 R653 | S645-E649 WeakPolarHBondContact O-CB 3.39Å; S645-E649 PolarHBondContact O-N 2.85Å; N646-E649 PolarHBondContact O-N 3.34Å; E649-K652 PolarHBondContact O-N 3.3Å; E649-R653 VanDerWaalsContact CG-NH2 3.31Å; E649-R653 VanDerWaalsContact O-CG 3.31Å; E649-R653 WeakPolarHBondContact O-CG 3.33Å; E649-R653 PolarHBondContact O-N 3.43Å; E649-R653 IonicContact OE1-CZ 2.68Å; E649-R653 IonicContact OE1-NE 3.4Å; E649-R653 PolarHBondContact OE1-NE 3.5Å; E649-R653 IonicContact OE1-NH2 3.17Å; E649-R653 PolarHBondContact OE1-NH2 3.01Å |
| 650 | Q | 84.2 | Confident | 80 | Confident | 137 Ų | 137 | 97.8 Ų | 97.8 | 64% | 0.64 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.7 | -44.2 | 173.5 | -173 | 179.8 | 18.6 | 0 | 0 | 112.1 | N646 Q647 K652 R653 A654 | N646-Q650 VanDerWaalsContact O-CB 3.32Å; N646-Q650 WeakPolarHBondContact O-CB 3.33Å; N646-Q650 PolarHBondContact O-N 3.08Å; Q647-Q650 PolarHBondContact O-N 2.93Å; Q650-K652 VanDerWaalsContact C-N 3.33Å; Q650-R653 PolarHBondContact O-N 3.16Å; Q650-A654 WeakPolarHBondContact O-CB 3.48Å; Q650-A654 PolarHBondContact O-N 3.2Å |
| 651 | I | 76 | Confident | 80.1 | Confident | 109 Ų | 109 | 98 Ų | 98 | 56% | 0.559 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.3 | -40.9 | 175.8 | -70.6 | 164.7 | 0 | 0 | 0 | 110.4 | Q647 V648 A654 L655 | Q647-I651 WeakPolarHBondContact O-CB 3.36Å; Q647-I651 VanDerWaalsContact O-CG1 3.24Å; Q647-I651 WeakPolarHBondContact O-CG1 3.47Å; Q647-I651 PolarHBondContact O-N 2.94Å; V648-I651 PolarHBondContact O-N 3.2Å; I651-A654 PolarHBondContact O-N 3.23Å; I651-L655 WeakPolarHBondContact O-CB 3.42Å; I651-L655 PolarHBondContact O-N 3.47Å |
| 652 | K | 78.4 | Confident | 80 | Confident | 98 Ų | 98 | 96.7 Ų | 96.7 | 43% | 0.426 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.2 | -48.7 | 175.7 | -175 | -179.3 | 175.5 | -96.8 | 0 | 111.6 | V648 E649 Q650 A654 L655 E656 | V648-K652 WeakPolarHBondContact O-CB 3.33Å; V648-K652 PolarHBondContact O-N 3.08Å; E649-K652 PolarHBondContact O-N 3.3Å; Q650-K652 VanDerWaalsContact C-N 3.33Å; K652-A654 VanDerWaalsContact C-N 3.33Å; K652-A654 PolarHBondContact O-N 2.95Å; K652-L655 WeakPolarHBondContact O-CB 3.21Å; K652-L655 PolarHBondContact O-N 2.95Å; K652-E656 WeakPolarHBondContact CE-OE1 3.35Å; K652-E656 IonicContact NZ-OE1 3.39Å; K652-E656 PolarHBondContact NZ-OE1 3.39Å; K652-E656 WeakPolarHBondContact O-CG 3.45Å; K652-E656 PolarHBondContact O-N 3.45Å |
| 653 | R | 83.5 | Confident | 79.9 | Confident | 145 Ų | 145 | 93.9 Ų | 93.9 | 55% | 0.547 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.2 | -39.8 | 175.8 | -69.5 | 171.4 | -166.2 | 178.1 | 5.7 | 112.4 | E649 Q650 L655 E656 T657 | E649-R653 VanDerWaalsContact CG-NH2 3.31Å; E649-R653 VanDerWaalsContact O-CG 3.31Å; E649-R653 WeakPolarHBondContact O-CG 3.33Å; E649-R653 PolarHBondContact O-N 3.43Å; E649-R653 IonicContact OE1-CZ 2.68Å; E649-R653 IonicContact OE1-NE 3.4Å; E649-R653 PolarHBondContact OE1-NE 3.5Å; E649-R653 IonicContact OE1-NH2 3.17Å; E649-R653 PolarHBondContact OE1-NH2 3.01Å; Q650-R653 PolarHBondContact O-N 3.16Å; R653-L655 VanDerWaalsContact C-N 3.34Å; R653-E656 PolarHBondContact O-N 3.27Å; R653-T657 PolarHBondContact O-N 3.29Å; R653-T657 PolarHBondContact O-OG1 2.86Å |
| 654 | A | 77.8 | Confident | 79.8 | Confident | 53 Ų | 53 | 92.3 Ų | 92.3 | 44% | 0.438 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.8 | -36.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q650 I651 K652 T657 A658 | Q650-A654 WeakPolarHBondContact O-CB 3.48Å; Q650-A654 PolarHBondContact O-N 3.2Å; I651-A654 PolarHBondContact O-N 3.23Å; K652-A654 VanDerWaalsContact C-N 3.33Å; K652-A654 PolarHBondContact O-N 2.95Å; A654-T657 WeakPolarHBondContact CA-OG1 3.14Å; A654-T657 PolarHBondContact O-OG1 2.97Å; A654-A658 WeakPolarHBondContact O-CB 3.42Å; A654-A658 PolarHBondContact O-N 3.33Å |
| 655 | L | 77.5 | Confident | 79.7 | Confident | 105 Ų | 105 | 92.3 Ų | 92.3 | 55% | 0.55 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -68.5 | -42.9 | 172.3 | -177.9 | 62 | 0 | 0 | 0 | 111.5 | I651 K652 R653 T657 A658 I659 | I651-L655 WeakPolarHBondContact O-CB 3.42Å; I651-L655 PolarHBondContact O-N 3.47Å; K652-L655 WeakPolarHBondContact O-CB 3.21Å; K652-L655 PolarHBondContact O-N 2.95Å; R653-L655 VanDerWaalsContact C-N 3.34Å; L655-T657 VanDerWaalsContact C-N 3.28Å; L655-T657 PolarHBondContact O-N 2.97Å; L655-A658 PolarHBondContact O-N 3.48Å; L655-I659 HydrophobicContact CD1-CD1 4.18Å; L655-I659 HydrophobicContact CD1-CG1 4.34Å; L655-I659 HydrophobicContact CG-CD1 3.92Å; L655-I659 WeakPolarHBondContact O-CB 3.43Å; L655-I659 VanDerWaalsContact O-CG1 3.3Å; L655-I659 WeakPolarHBondContact O-CG1 3.29Å; L655-I659 PolarHBondContact O-N 3.41Å |
| 656 | E | 77.1 | Confident | 80 | Confident | 65 Ų | 65 | 92.1 Ų | 92.1 | 30% | 0.304 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.2 | -27.3 | 175.1 | -71.6 | 170.1 | -176.7 | 0 | 0 | 113 | K652 R653 R660 | K652-E656 WeakPolarHBondContact CE-OE1 3.35Å; K652-E656 IonicContact NZ-OE1 3.39Å; K652-E656 PolarHBondContact NZ-OE1 3.39Å; K652-E656 WeakPolarHBondContact O-CG 3.45Å; K652-E656 PolarHBondContact O-N 3.45Å; R653-E656 PolarHBondContact O-N 3.27Å; E656-R660 WeakPolarHBondContact O-CG 3.4Å; E656-R660 PolarHBondContact O-NE 3.13Å |
| 657 | T | 83 | Confident | 80 | Confident | 58 Ų | 58 | 91.8 Ų | 91.8 | 36% | 0.356 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -74.5 | -46.9 | 167.4 | 41 | 0 | 0 | 0 | 0 | 112.1 | R653 A654 L655 I659 R660 E661 | R653-T657 PolarHBondContact O-N 3.29Å; R653-T657 PolarHBondContact O-OG1 2.86Å; A654-T657 WeakPolarHBondContact CA-OG1 3.14Å; A654-T657 PolarHBondContact O-OG1 2.97Å; L655-T657 VanDerWaalsContact C-N 3.28Å; L655-T657 PolarHBondContact O-N 2.97Å; T657-I659 VanDerWaalsContact C-N 3.29Å; T657-I659 PolarHBondContact O-N 2.76Å; T657-R660 VanDerWaalsContact CG2-NH2 3.34Å; T657-R660 PolarHBondContact O-N 2.87Å; T657-R660 VanDerWaalsContact O-N 3.16Å; T657-E661 PolarHBondContact O-N 3.46Å |
| 658 | A | 75.2 | Confident | 80.2 | Confident | 50 Ų | 50 | 93 Ų | 93 | 41% | 0.413 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.3 | -33.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113 | A654 L655 R662 | A654-A658 WeakPolarHBondContact O-CB 3.42Å; A654-A658 PolarHBondContact O-N 3.33Å; L655-A658 PolarHBondContact O-N 3.48Å; A658-R662 VanDerWaalsContact O-CB 3.29Å; A658-R662 WeakPolarHBondContact O-CB 3.22Å; A658-R662 PolarHBondContact O-N 3.33Å |
| 659 | I | 80.9 | Confident | 80.1 | Confident | 66 Ų | 66 | 90.8 Ų | 90.8 | 34% | 0.338 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.5 | -49 | 172.9 | -71.8 | 167.4 | 0 | 0 | 0 | 110.6 | L655 T657 E661 R662 E663 | L655-I659 HydrophobicContact CD1-CD1 4.18Å; L655-I659 HydrophobicContact CD1-CG1 4.34Å; L655-I659 HydrophobicContact CG-CD1 3.92Å; L655-I659 WeakPolarHBondContact O-CB 3.43Å; L655-I659 VanDerWaalsContact O-CG1 3.3Å; L655-I659 WeakPolarHBondContact O-CG1 3.29Å; L655-I659 PolarHBondContact O-N 3.41Å; T657-I659 VanDerWaalsContact C-N 3.29Å; T657-I659 PolarHBondContact O-N 2.76Å; I659-E661 PolarHBondContact O-N 3.07Å; I659-R662 CarbonylContact O-C 3.58Å; I659-R662 WeakPolarHBondContact O-CB 3.4Å; I659-R662 PolarHBondContact O-N 3.46Å; I659-R662 VanDerWaalsContact O-N 3.13Å; I659-E663 HydrophobicContact CG2-CG 4.45Å; I659-E663 VanDerWaalsContact CG2-OE1 3.27Å; I659-E663 WeakPolarHBondContact CG2-OE1 3.37Å; I659-E663 WeakPolarHBondContact O-CG 3.49Å; I659-E663 PolarHBondContact O-N 3.26Å |
| 660 | R | 82.3 | Confident | 80.1 | Confident | 148 Ų | 148 | 93.4 Ų | 93.4 | 56% | 0.558 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63.8 | -38.6 | 178.3 | -76.3 | 178.9 | -71.6 | 153.5 | -5.5 | 112.9 | E656 T657 E663 A664 | E656-R660 WeakPolarHBondContact O-CG 3.4Å; E656-R660 PolarHBondContact O-NE 3.13Å; T657-R660 VanDerWaalsContact CG2-NH2 3.34Å; T657-R660 PolarHBondContact O-N 2.87Å; T657-R660 VanDerWaalsContact O-N 3.16Å; R660-E663 PolarHBondContact O-N 3.37Å; R660-A664 WeakPolarHBondContact O-CB 3.22Å; R660-A664 PolarHBondContact O-N 3.18Å |
| 661 | E | 83.3 | Confident | 80.1 | Confident | 126 Ų | 126 | 90.6 Ų | 90.6 | 59% | 0.589 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -63 | -42.5 | 172.3 | -73.5 | 175.6 | -166.5 | 0 | 0 | 111.3 | T657 I659 A664 N665 | T657-E661 PolarHBondContact O-N 3.46Å; I659-E661 PolarHBondContact O-N 3.07Å; E661-A664 PolarHBondContact O-N 3.11Å; E661-N665 WeakPolarHBondContact O-CB 3.45Å; E661-N665 PolarHBondContact O-N 3.04Å; E661-N665 PolarHBondContact O-ND2 3.12Å |
| 662 | R | 77.9 | Confident | 80.4 | Confident | 123 Ų | 123 | 87.9 Ų | 87.9 | 46% | 0.464 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.6 | -39.6 | 175.2 | 179.3 | 174.5 | 173.1 | -88 | -0.3 | 112.2 | A658 I659 N665 I666 | A658-R662 VanDerWaalsContact O-CB 3.29Å; A658-R662 WeakPolarHBondContact O-CB 3.22Å; A658-R662 PolarHBondContact O-N 3.33Å; I659-R662 CarbonylContact O-C 3.58Å; I659-R662 WeakPolarHBondContact O-CB 3.4Å; I659-R662 PolarHBondContact O-N 3.46Å; I659-R662 VanDerWaalsContact O-N 3.13Å; R662-N665 PolarHBondContact O-N 3.45Å; R662-I666 HydrophobicContact CG-CD1 3.96Å; R662-I666 WeakPolarHBondContact O-CB 3.32Å; R662-I666 WeakPolarHBondContact O-CD1 3.19Å; R662-I666 VanDerWaalsContact O-CG1 3.23Å; R662-I666 WeakPolarHBondContact O-CG1 3.46Å; R662-I666 PolarHBondContact O-N 3.35Å |
| 663 | E | 82.7 | Confident | 80.4 | Confident | 70 Ų | 70 | 91.7 Ų | 91.7 | 33% | 0.327 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -67.1 | -42.2 | 176.5 | -73 | 165.3 | 175.9 | 0 | 0 | 112.1 | I659 R660 I666 T667 | I659-E663 HydrophobicContact CG2-CG 4.45Å; I659-E663 VanDerWaalsContact CG2-OE1 3.27Å; I659-E663 WeakPolarHBondContact CG2-OE1 3.37Å; I659-E663 WeakPolarHBondContact O-CG 3.49Å; I659-E663 PolarHBondContact O-N 3.26Å; R660-E663 PolarHBondContact O-N 3.37Å; E663-I666 PolarHBondContact O-N 2.99Å; E663-T667 PolarHBondContact O-N 3.3Å; E663-T667 PolarHBondContact O-OG1 2.99Å |
| 664 | A | 82.9 | Confident | 80.2 | Confident | 55 Ų | 55 | 89.8 Ų | 89.8 | 46% | 0.455 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.1 | -48 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | R660 E661 I666 T667 E668 | R660-A664 WeakPolarHBondContact O-CB 3.22Å; R660-A664 PolarHBondContact O-N 3.18Å; E661-A664 PolarHBondContact O-N 3.11Å; A664-I666 VanDerWaalsContact C-N 3.3Å; A664-I666 PolarHBondContact O-N 3.05Å; A664-T667 PolarHBondContact O-N 3.43Å; A664-T667 PolarHBondContact O-OG1 3.26Å; A664-E668 PolarHBondContact O-N 3.48Å |
| 665 | N | 79.9 | Confident | 80.5 | Confident | 105 Ų | 105 | 92.7 Ų | 92.7 | 56% | 0.561 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -62.5 | -33.2 | 175.9 | -76.4 | -65.4 | 0 | 0 | 0 | 113.1 | E661 R662 S669 | E661-N665 WeakPolarHBondContact O-CB 3.45Å; E661-N665 PolarHBondContact O-N 3.04Å; E661-N665 PolarHBondContact O-ND2 3.12Å; R662-N665 PolarHBondContact O-N 3.45Å; N665-S669 VanDerWaalsContact O-CB 3.26Å; N665-S669 WeakPolarHBondContact O-CB 3.26Å; N665-S669 PolarHBondContact O-N 2.89Å |
| 666 | I | 82.3 | Confident | 80.6 | Confident | 71 Ų | 71 | 92 Ų | 92 | 36% | 0.364 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -70 | -46.1 | 174.9 | -73.7 | 164.9 | 0 | 0 | 0 | 110.8 | R662 E663 A664 E668 S669 M670 | R662-I666 HydrophobicContact CG-CD1 3.96Å; R662-I666 WeakPolarHBondContact O-CB 3.32Å; R662-I666 WeakPolarHBondContact O-CD1 3.19Å; R662-I666 VanDerWaalsContact O-CG1 3.23Å; R662-I666 WeakPolarHBondContact O-CG1 3.46Å; R662-I666 PolarHBondContact O-N 3.35Å; E663-I666 PolarHBondContact O-N 2.99Å; A664-I666 VanDerWaalsContact C-N 3.3Å; A664-I666 PolarHBondContact O-N 3.05Å; I666-E668 PolarHBondContact O-N 2.82Å; I666-S669 WeakPolarHBondContact O-CB 3.34Å; I666-S669 PolarHBondContact O-N 3.49Å; I666-M670 HydrophobicContact CG2-CG 4.45Å; I666-M670 HydrophobicContact CG2-SD 3.96Å; I666-M670 WeakPolarHBondContact O-CG 3.34Å; I666-M670 PolarHBondContact O-N 3.47Å |
| 667 | T | 83.9 | Confident | 80.8 | Confident | 91 Ų | 91 | 92.2 Ų | 92.2 | 56% | 0.558 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -65.2 | -37.5 | 178.9 | 52.8 | 0 | 0 | 0 | 0 | 112.4 | E663 A664 M670 L671 | E663-T667 PolarHBondContact O-N 3.3Å; E663-T667 PolarHBondContact O-OG1 2.99Å; A664-T667 PolarHBondContact O-N 3.43Å; A664-T667 PolarHBondContact O-OG1 3.26Å; T667-M670 PolarHBondContact O-N 2.91Å; T667-L671 WeakPolarHBondContact O-CB 3.29Å; T667-L671 PolarHBondContact O-N 3.31Å |
| 668 | E | 82.9 | Confident | 80.7 | Confident | 111 Ų | 111 | 94.3 Ų | 94.3 | 52% | 0.519 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.6 | -43.8 | 170.4 | -172.4 | 177.6 | -173.7 | 0 | 0 | 111.8 | A664 I666 M670 L671 L672 | A664-E668 PolarHBondContact O-N 3.48Å; I666-E668 PolarHBondContact O-N 2.82Å; E668-M670 VanDerWaalsContact C-N 3.29Å; E668-M670 PolarHBondContact O-N 3.38Å; E668-L671 PolarHBondContact O-N 2.99Å; E668-L672 HydrophobicContact CG-CD1 4.11Å; E668-L672 HydrophobicContact CG-CG 4.42Å; E668-L672 WeakPolarHBondContact O-CB 2.97Å; E668-L672 VanDerWaalsContact O-CG 3.31Å; E668-L672 WeakPolarHBondContact O-CG 3.4Å; E668-L672 PolarHBondContact O-N 2.68Å |
| 669 | S | 72.7 | Confident | 81.1 | Confident | 53 Ų | 53 | 95.7 Ų | 95.7 | 37% | 0.371 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59 | -38.4 | 174.7 | -179.8 | 0 | 0 | 0 | 0 | 112.5 | N665 I666 R673 | N665-S669 VanDerWaalsContact O-CB 3.26Å; N665-S669 WeakPolarHBondContact O-CB 3.26Å; N665-S669 PolarHBondContact O-N 2.89Å; I666-S669 WeakPolarHBondContact O-CB 3.34Å; I666-S669 PolarHBondContact O-N 3.49Å; S669-R673 WeakPolarHBondContact O-CB 3.39Å; S669-R673 WeakPolarHBondContact O-CD 3.46Å; S669-R673 VanDerWaalsContact O-CG 3.25Å; S669-R673 WeakPolarHBondContact O-CG 3.44Å; S669-R673 PolarHBondContact O-N 2.96Å |
| 670 | M | 78.2 | Confident | 81 | Confident | 123 Ų | 123 | 94.5 Ų | 94.5 | 61% | 0.606 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -69.4 | -43.7 | 175 | -68.6 | 176 | 84.8 | 0 | 0 | 111.7 | I666 T667 E668 L672 R673 Q674 | I666-M670 HydrophobicContact CG2-CG 4.45Å; I666-M670 HydrophobicContact CG2-SD 3.96Å; I666-M670 WeakPolarHBondContact O-CG 3.34Å; I666-M670 PolarHBondContact O-N 3.47Å; T667-M670 PolarHBondContact O-N 2.91Å; E668-M670 VanDerWaalsContact C-N 3.29Å; E668-M670 PolarHBondContact O-N 3.38Å; M670-L672 VanDerWaalsContact C-N 3.32Å; M670-L672 PolarHBondContact O-N 3.38Å; M670-R673 PolarHBondContact O-N 3.47Å; M670-R673 VanDerWaalsContact O-N 3.17Å; M670-Q674 PolarHBondContact O-N 2.74Å |
| 671 | L | 83.8 | Confident | 80.9 | Confident | 78 Ų | 78 | 89.8 Ų | 89.8 | 41% | 0.408 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.9 | -39.6 | 174.5 | -175.4 | 69.7 | 0 | 0 | 0 | 112.1 | T667 E668 Q674 K675 | T667-L671 WeakPolarHBondContact O-CB 3.29Å; T667-L671 PolarHBondContact O-N 3.31Å; E668-L671 PolarHBondContact O-N 2.99Å; L671-Q674 PolarHBondContact O-N 2.97Å; L671-K675 HydrophobicContact CG-CD 4.43Å; L671-K675 WeakPolarHBondContact O-CG 3.37Å; L671-K675 PolarHBondContact O-N 3.29Å |
| 672 | L | 81.3 | Confident | 80.7 | Confident | 52 Ų | 52 | 86.5 Ų | 86.5 | 27% | 0.272 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.1 | -39.6 | 174.6 | -73.3 | 170 | 0 | 0 | 0 | 111.8 | E668 M670 L676 | E668-L672 HydrophobicContact CG-CD1 4.11Å; E668-L672 HydrophobicContact CG-CG 4.42Å; E668-L672 WeakPolarHBondContact O-CB 2.97Å; E668-L672 VanDerWaalsContact O-CG 3.31Å; E668-L672 WeakPolarHBondContact O-CG 3.4Å; E668-L672 PolarHBondContact O-N 2.68Å; M670-L672 VanDerWaalsContact C-N 3.32Å; M670-L672 PolarHBondContact O-N 3.38Å; L672-L676 WeakPolarHBondContact O-CB 3.38Å; L672-L676 PolarHBondContact O-N 2.86Å |
| 673 | R | 79.2 | Confident | 81 | Confident | 178 Ų | 178 | 86.8 Ų | 86.8 | 67% | 0.672 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -67.1 | -38.9 | 174 | -74.1 | 166.9 | -178 | -92.3 | 0.1 | 112.5 | S669 M670 L676 S677 | S669-R673 WeakPolarHBondContact O-CB 3.39Å; S669-R673 WeakPolarHBondContact O-CD 3.46Å; S669-R673 VanDerWaalsContact O-CG 3.25Å; S669-R673 WeakPolarHBondContact O-CG 3.44Å; S669-R673 PolarHBondContact O-N 2.96Å; M670-R673 PolarHBondContact O-N 3.47Å; M670-R673 VanDerWaalsContact O-N 3.17Å; R673-L676 PolarHBondContact O-N 3.37Å; R673-S677 WeakPolarHBondContact O-CB 3.38Å; R673-S677 PolarHBondContact O-N 3.35Å |
| 674 | Q | 79.7 | Confident | 80.9 | Confident | 105 Ų | 105 | 90.4 Ų | 90.4 | 49% | 0.491 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.1 | -52.6 | 173.2 | 178.3 | -179.9 | -12.6 | 0 | 0 | 110.6 | M670 L671 L676 S677 E678 | M670-Q674 PolarHBondContact O-N 2.74Å; L671-Q674 PolarHBondContact O-N 2.97Å; Q674-L676 PolarHBondContact O-N 3.24Å; Q674-S677 CarbonylContact O-C 3.53Å; Q674-S677 WeakPolarHBondContact O-CA 3.15Å; Q674-S677 WeakPolarHBondContact O-CB 3.48Å; Q674-S677 PolarHBondContact O-N 3.3Å; Q674-E678 HydrophobicContact CG-CG 4.36Å; Q674-E678 VanDerWaalsContact CG-OE1 3.31Å; Q674-E678 WeakPolarHBondContact CG-OE1 3.23Å; Q674-E678 PolarHBondContact NE2-OE1 2.96Å; Q674-E678 WeakPolarHBondContact O-CG 3.04Å; Q674-E678 PolarHBondContact O-N 3.02Å |
| 675 | K | 82.9 | Confident | 80.8 | Confident | 114 Ų | 114 | 95.2 Ų | 95.2 | 50% | 0.496 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -57.7 | -36.4 | 177 | -72.5 | 170.5 | 179.6 | 174.5 | 0 | 112.5 | L671 L679 | L671-K675 HydrophobicContact CG-CD 4.43Å; L671-K675 WeakPolarHBondContact O-CG 3.37Å; L671-K675 PolarHBondContact O-N 3.29Å; K675-L679 WeakPolarHBondContact O-CB 3.35Å; K675-L679 PolarHBondContact O-N 2.9Å |
| 676 | L | 80.3 | Confident | 80.9 | Confident | 89 Ų | 89 | 92.4 Ų | 92.4 | 47% | 0.466 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.9 | -37.6 | 174 | -151.9 | 79.8 | 0 | 0 | 0 | 112.3 | L366 L672 R673 Q674 A680 | L366-L676 HydrophobicContact CD2-CD1 4.44Å; L672-L676 WeakPolarHBondContact O-CB 3.38Å; L672-L676 PolarHBondContact O-N 2.86Å; R673-L676 PolarHBondContact O-N 3.37Å; Q674-L676 PolarHBondContact O-N 3.24Å; L676-A680 WeakPolarHBondContact O-CB 3.33Å; L676-A680 PolarHBondContact O-N 2.92Å |
| 677 | S | 82 | Confident | 80.8 | Confident | 70 Ų | 70 | 94.4 Ų | 94.4 | 49% | 0.49 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -70.2 | -42.9 | 177.2 | -167.5 | 0 | 0 | 0 | 0 | 112.3 | R673 Q674 A680 A681 | R673-S677 WeakPolarHBondContact O-CB 3.38Å; R673-S677 PolarHBondContact O-N 3.35Å; Q674-S677 CarbonylContact O-C 3.53Å; Q674-S677 WeakPolarHBondContact O-CA 3.15Å; Q674-S677 WeakPolarHBondContact O-CB 3.48Å; Q674-S677 PolarHBondContact O-N 3.3Å; S677-A680 CarbonylContact O-C 3.42Å; S677-A680 PolarHBondContact O-N 2.74Å; S677-A681 WeakPolarHBondContact O-CB 3.48Å; S677-A681 PolarHBondContact O-N 3.24Å |
| 678 | E | 79.9 | Confident | 80.4 | Confident | 103 Ų | 103 | 92.3 Ų | 92.3 | 48% | 0.481 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.4 | -45.4 | 173.6 | -72.5 | 169.3 | -179.8 | 0 | 0 | 111 | Q674 A680 A681 A682 | Q674-E678 HydrophobicContact CG-CG 4.36Å; Q674-E678 VanDerWaalsContact CG-OE1 3.31Å; Q674-E678 WeakPolarHBondContact CG-OE1 3.23Å; Q674-E678 PolarHBondContact NE2-OE1 2.96Å; Q674-E678 WeakPolarHBondContact O-CG 3.04Å; Q674-E678 PolarHBondContact O-N 3.02Å; E678-A680 PolarHBondContact O-N 2.74Å; E678-A681 WeakPolarHBondContact O-CB 3.47Å; E678-A681 PolarHBondContact O-N 2.68Å; E678-A682 PolarHBondContact O-N 2.92Å |
| 679 | L | 83.2 | Confident | 80.5 | Confident | 79 Ų | 79 | 92 Ų | 92 | 41% | 0.414 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62 | -42 | 173.6 | -173.3 | 74.2 | 0 | 0 | 0 | 112 | K675 A681 A682 F683 | K675-L679 WeakPolarHBondContact O-CB 3.35Å; K675-L679 PolarHBondContact O-N 2.9Å; L679-A681 VanDerWaalsContact C-N 3.31Å; L679-A681 PolarHBondContact O-N 3.43Å; L679-A682 PolarHBondContact O-N 3.41Å; L679-F683 WeakPolarHBondContact O-CB 3.47Å; L679-F683 PolarHBondContact O-N 2.97Å |
| 680 | A | 80 | Confident | 80.8 | Confident | 40 Ų | 40 | 92.1 Ų | 92.1 | 33% | 0.331 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -68.5 | -28.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L676 S677 E678 R684 | L676-A680 WeakPolarHBondContact O-CB 3.33Å; L676-A680 PolarHBondContact O-N 2.92Å; S677-A680 CarbonylContact O-C 3.42Å; S677-A680 PolarHBondContact O-N 2.74Å; E678-A680 PolarHBondContact O-N 2.74Å; A680-R684 WeakPolarHBondContact O-CB 3.33Å; A680-R684 WeakPolarHBondContact O-CG 3.45Å; A680-R684 PolarHBondContact O-N 2.91Å; A680-R684 VanDerWaalsContact O-N 3.08Å; A680-R684 PolarHBondContact O-NE 3.31Å |
| 681 | A | 79.5 | Confident | 80.7 | Confident | 50 Ų | 50 | 88.7 Ų | 88.7 | 41% | 0.413 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -71.7 | -45.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111 | S677 E678 L679 F683 R684 Y685 | S677-A681 WeakPolarHBondContact O-CB 3.48Å; S677-A681 PolarHBondContact O-N 3.24Å; E678-A681 WeakPolarHBondContact O-CB 3.47Å; E678-A681 PolarHBondContact O-N 2.68Å; L679-A681 VanDerWaalsContact C-N 3.31Å; L679-A681 PolarHBondContact O-N 3.43Å; A681-F683 VanDerWaalsContact C-N 3.32Å; A681-F683 PolarHBondContact O-N 3.34Å; A681-R684 PolarHBondContact O-N 3.01Å; A681-Y685 WeakPolarHBondContact O-CB 3.37Å; A681-Y685 PolarHBondContact O-N 2.74Å |
| 682 | A | 80.2 | Confident | 80.3 | Confident | 57 Ų | 57 | 90.4 Ų | 90.4 | 47% | 0.471 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59.3 | -41 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E678 L679 Y685 S686 | E678-A682 PolarHBondContact O-N 2.92Å; L679-A682 PolarHBondContact O-N 3.41Å; A682-Y685 PolarHBondContact O-N 2.96Å; A682-S686 PolarHBondContact O-N 3.47Å |
| 683 | F | 82.5 | Confident | 80.1 | Confident | 129 Ų | 129 | 90.4 Ų | 90.4 | 57% | 0.566 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -64.9 | -42.3 | 174.4 | -174.6 | -92.4 | 0 | 0 | 0 | 112.7 | L679 A681 Y685 S686 Q687 | L679-F683 WeakPolarHBondContact O-CB 3.47Å; L679-F683 PolarHBondContact O-N 2.97Å; A681-F683 VanDerWaalsContact C-N 3.32Å; A681-F683 PolarHBondContact O-N 3.34Å; F683-Y685 VanDerWaalsContact C-N 3.31Å; F683-Y685 PolarHBondContact O-N 2.73Å; F683-S686 PolarHBondContact O-N 3.3Å; F683-S686 PolarHBondContact O-OG 3.5Å; F683-S686 VanDerWaalsContact O-OG 3.05Å; F683-Q687 VanDerWaalsContact O-CB 3.3Å; F683-Q687 WeakPolarHBondContact O-CB 3.13Å; F683-Q687 PolarHBondContact O-N 2.83Å |
| 684 | R | 81.2 | Confident | 80.1 | Confident | 145 Ų | 145 | 88.2 Ų | 88.2 | 55% | 0.547 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.5 | -35.2 | 174.1 | -78.9 | 173.2 | -72.6 | -166.2 | 1.9 | 112 | A680 A681 A688 | A680-R684 WeakPolarHBondContact O-CB 3.33Å; A680-R684 WeakPolarHBondContact O-CG 3.45Å; A680-R684 PolarHBondContact O-N 2.91Å; A680-R684 VanDerWaalsContact O-N 3.08Å; A680-R684 PolarHBondContact O-NE 3.31Å; A681-R684 PolarHBondContact O-N 3.01Å; R684-A688 WeakPolarHBondContact O-CB 3.35Å; R684-A688 PolarHBondContact O-N 3.11Å |
| 685 | Y | 80.4 | Confident | 80 | Confident | 157 Ų | 157 | 87.7 Ų | 87.7 | 62% | 0.616 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -67.1 | -45.1 | 175.6 | -175.9 | -98.8 | 0 | 0 | 0 | 112.2 | A681 A682 F683 A688 Q689 | A681-Y685 WeakPolarHBondContact O-CB 3.37Å; A681-Y685 PolarHBondContact O-N 2.74Å; A682-Y685 PolarHBondContact O-N 2.96Å; F683-Y685 VanDerWaalsContact C-N 3.31Å; F683-Y685 PolarHBondContact O-N 2.73Å; Y685-A688 PolarHBondContact O-N 3.15Å; Y685-Q689 HydrophobicContact CE1-CG 4.16Å; Y685-Q689 VanDerWaalsContact CZ-NE2 3.34Å; Y685-Q689 PolarHBondContact O-N 3.47Å; Y685-Q689 PolarHBondContact OH-NE2 3.04Å |
| 686 | S | 81.9 | Confident | 79.7 | Confident | 45 Ų | 45 | 86 Ų | 86 | 32% | 0.315 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.9 | -38.8 | 174.8 | 68.2 | 0 | 0 | 0 | 0 | 111.9 | A682 F683 A688 Q689 L690 | A682-S686 PolarHBondContact O-N 3.47Å; F683-S686 PolarHBondContact O-N 3.3Å; F683-S686 PolarHBondContact O-OG 3.5Å; F683-S686 VanDerWaalsContact O-OG 3.05Å; S686-A688 VanDerWaalsContact C-N 3.33Å; S686-A688 PolarHBondContact O-N 2.8Å; S686-Q689 PolarHBondContact O-N 2.92Å; S686-L690 WeakPolarHBondContact O-CB 3.19Å; S686-L690 WeakPolarHBondContact O-CD1 3.48Å; S686-L690 WeakPolarHBondContact O-CG 3.4Å; S686-L690 PolarHBondContact O-N 2.9Å |
| 687 | Q | 80 | Confident | 79.7 | Confident | 114 Ų | 114 | 85.5 Ų | 85.5 | 53% | 0.533 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.6 | -38.8 | 172.8 | -170.1 | 177.3 | 18.7 | 0 | 0 | 112.3 | F683 L690 A691 | F683-Q687 VanDerWaalsContact O-CB 3.3Å; F683-Q687 WeakPolarHBondContact O-CB 3.13Å; F683-Q687 PolarHBondContact O-N 2.83Å; Q687-L690 PolarHBondContact O-N 3.32Å; Q687-A691 PolarHBondContact O-N 2.79Å |
| 688 | A | 77.4 | Confident | 79.4 | Confident | 47 Ų | 47 | 85.5 Ų | 85.5 | 39% | 0.388 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.4 | -42.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | R684 Y685 S686 L690 A691 I692 | R684-A688 WeakPolarHBondContact O-CB 3.35Å; R684-A688 PolarHBondContact O-N 3.11Å; Y685-A688 PolarHBondContact O-N 3.15Å; S686-A688 VanDerWaalsContact C-N 3.33Å; S686-A688 PolarHBondContact O-N 2.8Å; A688-L690 VanDerWaalsContact C-N 3.34Å; A688-L690 PolarHBondContact O-N 3.08Å; A688-A691 WeakPolarHBondContact O-CB 3.43Å; A688-A691 PolarHBondContact O-N 3Å; A688-I692 WeakPolarHBondContact O-CG1 3.35Å; A688-I692 PolarHBondContact O-N 3.11Å |
| 689 | Q | 83.5 | Confident | 79.2 | Confident | 105 Ų | 105 | 83.2 Ų | 83.2 | 49% | 0.491 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.9 | -42.3 | 173.4 | -73.7 | -158.8 | -1 | 0 | 0 | 111.9 | Y685 S686 A691 I692 A693 | Y685-Q689 HydrophobicContact CE1-CG 4.16Å; Y685-Q689 VanDerWaalsContact CZ-NE2 3.34Å; Y685-Q689 PolarHBondContact O-N 3.47Å; Y685-Q689 PolarHBondContact OH-NE2 3.04Å; S686-Q689 PolarHBondContact O-N 2.92Å; Q689-A691 VanDerWaalsContact C-N 3.34Å; Q689-A691 PolarHBondContact O-N 3.21Å; Q689-I692 PolarHBondContact O-N 3.04Å; Q689-A693 PolarHBondContact O-N 2.74Å |
| 690 | L | 78.6 | Confident | 78.9 | Confident | 54 Ų | 54 | 81.7 Ų | 81.7 | 28% | 0.283 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.7 | -42.3 | 173.7 | -77.2 | 160 | 0 | 0 | 0 | 112 | S686 Q687 A688 I692 A693 H694 | S686-L690 WeakPolarHBondContact O-CB 3.19Å; S686-L690 WeakPolarHBondContact O-CD1 3.48Å; S686-L690 WeakPolarHBondContact O-CG 3.4Å; S686-L690 PolarHBondContact O-N 2.9Å; Q687-L690 PolarHBondContact O-N 3.32Å; A688-L690 VanDerWaalsContact C-N 3.34Å; A688-L690 PolarHBondContact O-N 3.08Å; L690-I692 PolarHBondContact O-N 3.14Å; L690-A693 PolarHBondContact O-N 2.94Å; L690-H694 PolarHBondContact O-CD2 2.96Å; L690-H694 PolarHBondContact O-N 2.99Å |
| 691 | A | 77 | Confident | 78.7 | Confident | 52 Ų | 52 | 85.5 Ų | 85.5 | 43% | 0.43 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.6 | -41 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q687 A688 Q689 H694 T695 | Q687-A691 PolarHBondContact O-N 2.79Å; A688-A691 WeakPolarHBondContact O-CB 3.43Å; A688-A691 PolarHBondContact O-N 3Å; Q689-A691 VanDerWaalsContact C-N 3.34Å; Q689-A691 PolarHBondContact O-N 3.21Å; A691-H694 PolarHBondContact O-N 3.42Å; A691-T695 WeakPolarHBondContact O-CG2 3.45Å; A691-T695 PolarHBondContact O-N 2.77Å; A691-T695 PolarHBondContact O-OG1 2.84Å |
| 692 | I | 75.2 | Confident | 78.4 | Confident | 114 Ų | 114 | 85.7 Ų | 85.7 | 59% | 0.585 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.7 | -40.2 | 175.8 | -66.3 | 163.6 | 0 | 0 | 0 | 111.4 | A688 Q689 L690 H694 T695 S696 | A688-I692 WeakPolarHBondContact O-CG1 3.35Å; A688-I692 PolarHBondContact O-N 3.11Å; Q689-I692 PolarHBondContact O-N 3.04Å; L690-I692 PolarHBondContact O-N 3.14Å; I692-H694 VanDerWaalsContact C-N 3.34Å; I692-H694 PolarHBondContact O-N 3.48Å; I692-T695 PolarHBondContact O-N 3.11Å; I692-T695 PolarHBondContact O-OG1 2.63Å; I692-T695 VanDerWaalsContact O-OG1 3.12Å; I692-S696 VanDerWaalsContact O-CB 3.29Å; I692-S696 WeakPolarHBondContact O-CB 3.49Å; I692-S696 PolarHBondContact O-N 2.99Å |
| 693 | A | 77.7 | Confident | 78.3 | Confident | 52 Ų | 52 | 86.9 Ų | 86.9 | 43% | 0.43 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63 | -40.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q689 L690 T697 | Q689-A693 PolarHBondContact O-N 2.74Å; L690-A693 PolarHBondContact O-N 2.94Å; A693-T697 WeakPolarHBondContact O-CB 3.43Å; A693-T697 PolarHBondContact O-N 2.97Å; A693-T697 PolarHBondContact O-OG1 3.34Å |
| 694 | H | 79.7 | Confident | 77.9 | Confident | 131 Ų | 131 | 86.2 Ų | 86.2 | 61% | 0.606 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67 | -42.8 | 175.5 | -78.9 | -62 | 0 | 0 | 0 | 113.2 | L690 A691 I692 T697 S698 | L690-H694 PolarHBondContact O-CD2 2.96Å; L690-H694 PolarHBondContact O-N 2.99Å; A691-H694 PolarHBondContact O-N 3.42Å; I692-H694 VanDerWaalsContact C-N 3.34Å; I692-H694 PolarHBondContact O-N 3.48Å; H694-T697 PolarHBondContact O-N 3.15Å; H694-S698 WeakPolarHBondContact O-CB 3.22Å; H694-S698 PolarHBondContact O-N 3.25Å |
| 695 | T | 77 | Confident | 77.6 | Confident | 95 Ų | 95 | 85.9 Ų | 85.9 | 58% | 0.583 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -68.6 | -38.6 | 177.3 | 55.1 | 0 | 0 | 0 | 0 | 112 | A691 I692 S698 A699 | A691-T695 WeakPolarHBondContact O-CG2 3.45Å; A691-T695 PolarHBondContact O-N 2.77Å; A691-T695 PolarHBondContact O-OG1 2.84Å; I692-T695 PolarHBondContact O-N 3.11Å; I692-T695 PolarHBondContact O-OG1 2.63Å; I692-T695 VanDerWaalsContact O-OG1 3.12Å; T695-S698 PolarHBondContact O-N 3.02Å; T695-A699 WeakPolarHBondContact O-CB 3.41Å; T695-A699 PolarHBondContact O-N 2.89Å |
| 696 | S | 77.2 | Confident | 77.3 | Confident | 79 Ų | 79 | 81.2 Ų | 81.2 | 55% | 0.552 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.2 | -46.3 | 172.1 | -173.8 | 0 | 0 | 0 | 0 | 111.9 | I692 S698 A699 A700 | I692-S696 VanDerWaalsContact O-CB 3.29Å; I692-S696 WeakPolarHBondContact O-CB 3.49Å; I692-S696 PolarHBondContact O-N 2.99Å; S696-S698 PolarHBondContact O-N 3.01Å; S696-A699 PolarHBondContact O-N 3.08Å; S696-A700 PolarHBondContact O-N 2.96Å |
| 697 | T | 79.9 | Confident | 77 | Confident | 77 Ų | 77 | 85 Ų | 85 | 47% | 0.472 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.3 | -40.8 | 176.1 | -57.3 | 0 | 0 | 0 | 0 | 112 | A693 H694 A700 Q701 | A693-T697 WeakPolarHBondContact O-CB 3.43Å; A693-T697 PolarHBondContact O-N 2.97Å; A693-T697 PolarHBondContact O-OG1 3.34Å; H694-T697 PolarHBondContact O-N 3.15Å; T697-A700 PolarHBondContact O-N 3.09Å; T697-Q701 PolarHBondContact O-N 3.22Å |
| 698 | S | 76.1 | Confident | 76.7 | Confident | 71 Ų | 71 | 82.6 Ų | 82.6 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.3 | -42.5 | 176.3 | -174.3 | 0 | 0 | 0 | 0 | 112 | H694 T695 S696 A700 Q701 A702 | H694-S698 WeakPolarHBondContact O-CB 3.22Å; H694-S698 PolarHBondContact O-N 3.25Å; T695-S698 PolarHBondContact O-N 3.02Å; S696-S698 PolarHBondContact O-N 3.01Å; S698-A700 VanDerWaalsContact C-N 3.34Å; S698-A700 PolarHBondContact O-N 3.44Å; S698-Q701 PolarHBondContact O-N 3.19Å; S698-A702 WeakPolarHBondContact O-CB 3.35Å; S698-A702 PolarHBondContact O-N 3.16Å |
| 699 | A | 74 | Confident | 76.4 | Confident | 55 Ų | 55 | 86.4 Ų | 86.4 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.7 | -37.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T695 S696 A702 T703 | T695-A699 WeakPolarHBondContact O-CB 3.41Å; T695-A699 PolarHBondContact O-N 2.89Å; S696-A699 PolarHBondContact O-N 3.08Å; A699-A702 PolarHBondContact O-N 2.77Å; A699-T703 WeakPolarHBondContact O-CG2 3.46Å; A699-T703 PolarHBondContact O-N 2.92Å; A699-T703 PolarHBondContact O-OG1 3.15Å |
| 700 | A | 78.3 | Confident | 75.9 | Confident | 47 Ų | 47 | 84 Ų | 84 | 39% | 0.388 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S696 T697 S698 T703 I704 | S696-A700 PolarHBondContact O-N 2.96Å; T697-A700 PolarHBondContact O-N 3.09Å; S698-A700 VanDerWaalsContact C-N 3.34Å; S698-A700 PolarHBondContact O-N 3.44Å; A700-T703 WeakPolarHBondContact CA-OG1 3.4Å; A700-T703 PolarHBondContact O-OG1 3Å; A700-I704 WeakPolarHBondContact O-CD1 3.35Å; A700-I704 VanDerWaalsContact O-CG1 3.24Å; A700-I704 WeakPolarHBondContact O-CG1 3.43Å; A700-I704 PolarHBondContact O-N 2.57Å |
| 701 | Q | 74.9 | Confident | 75.4 | Confident | 119 Ų | 119 | 85.2 Ų | 85.2 | 56% | 0.556 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.7 | -42.2 | 174.7 | -73.5 | -177.3 | -19.6 | 0 | 0 | 112.5 | T697 S698 T703 I704 M705 | T697-Q701 PolarHBondContact O-N 3.22Å; S698-Q701 PolarHBondContact O-N 3.19Å; Q701-T703 PolarHBondContact O-N 3.33Å; Q701-I704 PolarHBondContact O-N 3.18Å; Q701-M705 WeakPolarHBondContact O-CG 3.48Å; Q701-M705 PolarHBondContact O-N 3.02Å |
| 702 | A | 74.7 | Confident | 74.9 | Confident | 54 Ų | 54 | 85.7 Ų | 85.7 | 45% | 0.446 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.2 | -40.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S698 A699 M705 A706 | S698-A702 WeakPolarHBondContact O-CB 3.35Å; S698-A702 PolarHBondContact O-N 3.16Å; A699-A702 PolarHBondContact O-N 2.77Å; A702-M705 PolarHBondContact O-N 2.97Å; A702-A706 WeakPolarHBondContact O-CB 3.48Å; A702-A706 PolarHBondContact O-N 3.26Å |
| 703 | T | 77.2 | Confident | 74.4 | Confident | 82 Ų | 82 | 85 Ų | 85 | 50% | 0.503 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.9 | -37.5 | 175.5 | 46.4 | 0 | 0 | 0 | 0 | 112.3 | A699 A700 Q701 A706 L707 | A699-T703 WeakPolarHBondContact O-CG2 3.46Å; A699-T703 PolarHBondContact O-N 2.92Å; A699-T703 PolarHBondContact O-OG1 3.15Å; A700-T703 WeakPolarHBondContact CA-OG1 3.4Å; A700-T703 PolarHBondContact O-OG1 3Å; Q701-T703 PolarHBondContact O-N 3.33Å; T703-A706 PolarHBondContact O-N 3.19Å; T703-L707 WeakPolarHBondContact O-CG 3.43Å; T703-L707 PolarHBondContact O-N 2.95Å |
| 704 | I | 74 | Confident | 73.4 | Confident | 115 Ų | 115 | 89.4 Ų | 89.4 | 59% | 0.59 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.1 | -44.9 | 171 | -69.6 | 165.2 | 0 | 0 | 0 | 111.1 | A700 Q701 L707 A708 | A700-I704 WeakPolarHBondContact O-CD1 3.35Å; A700-I704 VanDerWaalsContact O-CG1 3.24Å; A700-I704 WeakPolarHBondContact O-CG1 3.43Å; A700-I704 PolarHBondContact O-N 2.57Å; Q701-I704 PolarHBondContact O-N 3.18Å; I704-L707 PolarHBondContact O-N 3.45Å; I704-A708 PolarHBondContact O-N 3.49Å |
| 705 | M | 75.2 | Confident | 72.5 | Confident | 138 Ų | 138 | 87.4 Ų | 87.4 | 68% | 0.68 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.7 | -39.6 | 175.7 | -72.6 | -169.3 | -176.5 | 0 | 0 | 112.8 | Q701 A702 A708 K709 | Q701-M705 WeakPolarHBondContact O-CG 3.48Å; Q701-M705 PolarHBondContact O-N 3.02Å; A702-M705 PolarHBondContact O-N 2.97Å; M705-A708 PolarHBondContact O-N 3.33Å; M705-K709 PolarHBondContact O-N 2.88Å |
| 706 | A | 74.1 | Confident | 71.5 | Confident | 59 Ų | 59 | 87.5 Ų | 87.5 | 49% | 0.488 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.8 | -42 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | A702 T703 K709 A710 | A702-A706 WeakPolarHBondContact O-CB 3.48Å; A702-A706 PolarHBondContact O-N 3.26Å; T703-A706 PolarHBondContact O-N 3.19Å; A706-K709 PolarHBondContact O-N 3.23Å; A706-A710 WeakPolarHBondContact O-CB 3.4Å; A706-A710 PolarHBondContact O-N 3.02Å |
| 707 | L | 76 | Confident | 70.2 | Confident | 126 Ų | 126 | 90.6 Ų | 90.6 | 66% | 0.66 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.5 | -41.9 | 173.9 | -73 | 166.9 | 0 | 0 | 0 | 111.8 | T703 I704 A710 S711 | T703-L707 WeakPolarHBondContact O-CG 3.43Å; T703-L707 PolarHBondContact O-N 2.95Å; I704-L707 PolarHBondContact O-N 3.45Å; L707-A710 PolarHBondContact O-N 3.16Å; L707-S711 WeakPolarHBondContact O-CB 3.4Å; L707-S711 PolarHBondContact O-N 3.34Å |
| 708 | A | 73.6 | Confident | 68.9 | Low | 63 Ų | 63 | 93.7 Ų | 93.7 | 52% | 0.521 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.6 | -40.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I704 M705 S711 A712 | I704-A708 PolarHBondContact O-N 3.49Å; M705-A708 PolarHBondContact O-N 3.33Å; A708-S711 WeakPolarHBondContact O-CB 3.24Å; A708-S711 PolarHBondContact O-N 3.42Å; A708-A712 PolarHBondContact O-N 3.12Å; A708-A712 VanDerWaalsContact O-N 3.14Å |
| 709 | K | 71.6 | Confident | 67.8 | Low | 127 Ų | 127 | 99.3 Ų | 99.3 | 55% | 0.552 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.9 | -45.9 | 176.6 | -171.5 | 172.2 | -175.3 | -83.1 | 0 | 112.2 | M705 A706 S711 A712 E713 | M705-K709 PolarHBondContact O-N 2.88Å; A706-K709 PolarHBondContact O-N 3.23Å; K709-S711 VanDerWaalsContact C-N 3.26Å; K709-S711 PolarHBondContact O-N 3.26Å; K709-A712 PolarHBondContact O-N 2.9Å; K709-E713 WeakPolarHBondContact CE-OE1 3.5Å; K709-E713 IonicContact NZ-OE1 3.48Å; K709-E713 PolarHBondContact NZ-OE1 3.06Å; K709-E713 IonicContact NZ-OE2 3.55Å; K709-E713 PolarHBondContact O-N 3.02Å |
| 710 | A | 72.6 | Confident | 66.4 | Low | 53 Ų | 53 | 102.5 Ų | 102.5 | 44% | 0.438 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61 | -36.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | A706 L707 A712 E713 K714 | A706-A710 WeakPolarHBondContact O-CB 3.4Å; A706-A710 PolarHBondContact O-N 3.02Å; L707-A710 PolarHBondContact O-N 3.16Å; A710-A712 VanDerWaalsContact C-N 3.35Å; A710-E713 PolarHBondContact O-N 3.11Å; A710-K714 PolarHBondContact O-N 3.28Å; A710-K714 VanDerWaalsContact O-N 3.13Å |
| 711 | S | 67.6 | Low | 64.5 | Low | 81 Ų | 81 | 109 Ų | 109 | 57% | 0.566 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63.5 | -37.8 | 172.9 | -170.1 | 0 | 0 | 0 | 0 | 112.7 | L707 A708 K709 | L707-S711 WeakPolarHBondContact O-CB 3.4Å; L707-S711 PolarHBondContact O-N 3.34Å; A708-S711 WeakPolarHBondContact O-CB 3.24Å; A708-S711 PolarHBondContact O-N 3.42Å; K709-S711 VanDerWaalsContact C-N 3.26Å; K709-S711 PolarHBondContact O-N 3.26Å |
| 712 | A | 66.4 | Low | 62.9 | Low | 62 Ų | 62 | 111.7 Ų | 111.7 | 51% | 0.512 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -73.7 | -40.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A708 K709 A710 K714 V715 N716 | A708-A712 PolarHBondContact O-N 3.12Å; A708-A712 VanDerWaalsContact O-N 3.14Å; K709-A712 PolarHBondContact O-N 2.9Å; A710-A712 VanDerWaalsContact C-N 3.35Å; A712-K714 VanDerWaalsContact C-N 3.33Å; A712-K714 PolarHBondContact O-N 3.29Å; A712-V715 PolarHBondContact O-N 2.99Å; A712-N716 PolarHBondContact O-N 2.86Å |
| 713 | E | 64 | Low | 60.9 | Low | 99 Ų | 99 | 117.7 Ų | 117.7 | 46% | 0.463 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -65.4 | -35.1 | 179.5 | -74 | 176 | 168 | 0 | 0 | 112.4 | K709 A710 V715 N716 M717 | K709-E713 WeakPolarHBondContact CE-OE1 3.5Å; K709-E713 IonicContact NZ-OE1 3.48Å; K709-E713 PolarHBondContact NZ-OE1 3.06Å; K709-E713 IonicContact NZ-OE2 3.55Å; K709-E713 PolarHBondContact O-N 3.02Å; A710-E713 PolarHBondContact O-N 3.11Å; E713-V715 VanDerWaalsContact C-N 3.35Å; E713-V715 PolarHBondContact O-N 3.47Å; E713-N716 PolarHBondContact O-N 2.91Å; E713-N716 VanDerWaalsContact O-N 3.12Å; E713-M717 PolarHBondContact O-N 3.25Å |
| 714 | K | 58.1 | Low | 58.6 | Low | 145 Ų | 145 | 121.8 Ų | 121.8 | 63% | 0.63 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -60.6 | -41.6 | 173.5 | -169.8 | 179.8 | 178 | -173.7 | 0 | 112.5 | A710 A712 N716 M717 E718 | A710-K714 PolarHBondContact O-N 3.28Å; A710-K714 VanDerWaalsContact O-N 3.13Å; A712-K714 VanDerWaalsContact C-N 3.33Å; A712-K714 PolarHBondContact O-N 3.29Å; K714-N716 PolarHBondContact O-N 2.97Å; K714-M717 PolarHBondContact O-N 3.07Å; K714-E718 PolarHBondContact O-N 2.75Å |
| 715 | V | 61 | Low | 56.4 | Low | 89 Ų | 89 | 122.9 Ų | 122.9 | 54% | 0.539 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -66.3 | -28.8 | 176.2 | 176.2 | 0 | 0 | 0 | 0 | 111.7 | A712 E713 | A712-V715 PolarHBondContact O-N 2.99Å; E713-V715 VanDerWaalsContact C-N 3.35Å; E713-V715 PolarHBondContact O-N 3.47Å |
| 716 | N | 55.3 | Low | 54.3 | Low | 96 Ų | 96 | 122 Ų | 122 | 51% | 0.513 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -81.5 | -33.6 | 180 | -142.2 | 25.7 | 0 | 0 | 0 | 112.6 | A712 E713 K714 E718 R719 L720 | A712-N716 PolarHBondContact O-N 2.86Å; E713-N716 PolarHBondContact O-N 2.91Å; E713-N716 VanDerWaalsContact O-N 3.12Å; K714-N716 PolarHBondContact O-N 2.97Å; N716-E718 VanDerWaalsContact C-N 3.34Å; N716-E718 PolarHBondContact O-N 3.26Å; N716-R719 PolarHBondContact O-N 2.95Å; N716-L720 PolarHBondContact O-N 2.86Å |
| 717 | M | 50 | Low | 52 | Low | 145 Ų | 145 | 125.7 Ų | 125.7 | 71% | 0.714 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -56.7 | -43.9 | 171.4 | -83.7 | -92.3 | -73.9 | 0 | 0 | 112.3 | E713 K714 R719 L720 | E713-M717 PolarHBondContact O-N 3.25Å; K714-M717 PolarHBondContact O-N 3.07Å; M717-R719 PolarHBondContact O-N 2.83Å; M717-L720 PolarHBondContact O-N 2.79Å |
| 718 | E | 51.7 | Low | 49.6 | Very low | 141 Ų | 141 | 126.8 Ų | 126.8 | 66% | 0.659 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -63.8 | -20.7 | 179.2 | -70.6 | 178.9 | 173 | 0 | 0 | 113.4 | K714 N716 | K714-E718 PolarHBondContact O-N 2.75Å; N716-E718 VanDerWaalsContact C-N 3.34Å; N716-E718 PolarHBondContact O-N 3.26Å |
| 719 | R | 53.7 | Low | 47.2 | Very low | 190 Ų | 190 | 128.2 Ų | 128.2 | 72% | 0.717 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -84.4 | -31.4 | 174.9 | -71.9 | -174.6 | 168.3 | -163.8 | -4 | 113.9 | N716 M717 Q721 | N716-R719 PolarHBondContact O-N 2.95Å; M717-R719 PolarHBondContact O-N 2.83Å; R719-Q721 VanDerWaalsContact C-N 3.3Å; R719-Q721 PolarHBondContact O-N 3.46Å |
| 720 | L | 44.3 | Very low | 45 | Very low | 122 Ų | 122 | 129.5 Ų | 129.5 | 64% | 0.639 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -75.3 | -17.4 | -172.5 | -76.9 | 166.1 | 0 | 0 | 0 | 113.6 | N716 M717 Q722 | N716-L720 PolarHBondContact O-N 2.86Å; M717-L720 PolarHBondContact O-N 2.79Å; L720-Q722 PolarHBondContact O-N 2.97Å; L720-Q722 VanDerWaalsContact O-N 3.12Å |
| 721 | Q | 38.5 | Very low | 42.7 | Very low | 184 Ų | 184 | 135.7 Ų | 135.7 | 86% | 0.86 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | 5.3 | 177.7 | -162.1 | 148.9 | 23.1 | 0 | 0 | 114.5 | R719 | R719-Q721 VanDerWaalsContact C-N 3.3Å; R719-Q721 PolarHBondContact O-N 3.46Å |
| 722 | Q | 40.6 | Very low | 40.6 | Very low | 174 Ų | 174 | 138.6 Ų | 138.6 | 81% | 0.813 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.6 | 2.9 | 179.3 | -68.1 | -170.3 | -7 | 0 | 0 | 115.4 | L720 | L720-Q722 PolarHBondContact O-N 2.97Å; L720-Q722 VanDerWaalsContact O-N 3.12Å |
| 723 | Q | 32.7 | Very low | 38.6 | Very low | 180 Ų | 180 | 140.9 Ų | 140.9 | 84% | 0.841 | 71% | 0.713 | S | S | * | * | trans | -122.9 | 83.3 | 176.9 | -71.8 | -166.9 | -26 | 0 | 0 | 112.5 | ||||
| 724 | H | 29.4 | Very low | 36.7 | Very low | 169 Ų | 169 | 142.6 Ų | 142.6 | 78% | 0.782 | 73% | 0.73 | S | S | * | * | trans | -103.2 | 114.8 | 171.1 | -169.2 | -71.6 | 0 | 0 | 0 | 108.9 | ||||
| 725 | N | 28.3 | Very low | 35.8 | Very low | 138 Ų | 138 | 141 Ų | 141 | 74% | 0.738 | 74% | 0.736 | S | S | * | * | trans | 172.8 | 157.7 | 144.3 | -88.6 | -9.9 | 0 | 0 | 0 | 114.4 | ||||
| 726 | T | 30.2 | Very low | 34.6 | Very low | 120 Ų | 120 | 143 Ų | 143 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | trans | 61.2 | 87.5 | 164.7 | 52.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 727 | D | 25.7 | Very low | 33.3 | Very low | 135 Ų | 135 | 143.8 Ų | 143.8 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | 75.1 | 114.4 | 110.5 | -61.8 | -32.1 | 0 | 0 | 0 | 124.2 | |||||
| 728 | I | 25.6 | Very low | 32.3 | Very low | 150 Ų | 150 | 142.7 Ų | 142.7 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | 86.4 | 112.7 | 124.4 | -64.5 | 172.3 | 0 | 0 | 0 | 120.6 | |||||
| 729 | S | 23.8 | Very low | 31.1 | Very low | 92 Ų | 92 | 142.2 Ų | 142.2 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | trans | 74 | 105.2 | 141.1 | -165.5 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 730 | L | 25.9 | Very low | 29.8 | Very low | 154 Ų | 154 | 139.1 Ų | 139.1 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | 31.6 | 118.9 | 121.8 | -52.8 | 162.6 | 0 | 0 | 0 | 119.1 | |||||
| 731 | Q | 23.5 | Very low | 28.9 | Very low | 184 Ų | 184 | 140.1 Ų | 140.1 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | -177.6 | 122.9 | 99.3 | -99.5 | -179.7 | -19.4 | 0 | 0 | 115.4 | |||||
| 732 | N | 25.1 | Very low | 28.3 | Very low | 141 Ų | 141 | 138.6 Ų | 138.6 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | trans | 12.4 | 126.9 | 139.5 | -65.8 | 1.1 | 0 | 0 | 0 | 122.3 | ||||
| 733 | S | 23.5 | Very low | 27.7 | Very low | 110 Ų | 110 | 141 Ų | 141 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | 95.5 | 139.3 | 115.7 | 73.9 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 734 | V | 24.1 | Very low | 27.4 | Very low | 136 Ų | 136 | 141.7 Ų | 141.7 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | 82.5 | 142.4 | 146.2 | 167.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 735 | C | 38.7 | Very low | 27.4 | Very low | 112 Ų | 112 | 139.8 Ų | 139.8 | 76% | 0.757 | 78% | 0.778 | S | S | * | * | trans | -53.5 | 166.9 | -175.8 | -43.7 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 736 | P | 36.9 | Very low | 27.3 | Very low | 129 Ų | 129 | 141.1 Ų | 141.1 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | -142.5 | 174.3 | 105.9 | 39.6 | -27.4 | 0 | 0 | 0 | 116.1 | |||||
| 737 | S | 27.5 | Very low | 27.4 | Very low | 114 Ų | 114 | 144.7 Ų | 144.7 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | -77.8 | 165.2 | -175.8 | -40.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 738 | S | 29.1 | Very low | 27.8 | Very low | 122 Ų | 122 | 142.3 Ų | 142.3 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | -147.7 | 166.6 | 150 | 60.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 739 | V | 27.4 | Very low | 28.5 | Very low | 131 Ų | 131 | 138.1 Ų | 138.1 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | trans | -147.1 | 164.2 | -163.9 | -172.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 740 | V | 24.4 | Very low | 29.3 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | trans | 121.1 | 110.9 | 151.6 | 178.7 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 741 | E | 25.9 | Very low | 30.1 | Very low | 143 Ų | 143 | 137.5 Ų | 137.5 | 67% | 0.668 | 76% | 0.76 | S | S | * | * | trans | 56.6 | 138.6 | 145 | -72.7 | -157.1 | 126.5 | 0 | 0 | 127.2 | ||||
| 742 | K | 26.1 | Very low | 31 | Very low | 152 Ų | 152 | 133 Ų | 133 | 66% | 0.661 | 74% | 0.742 | S | S | * | * | trans | 83.5 | 92.5 | 139.1 | -79.4 | 164.7 | -178.7 | 142.1 | 0 | 121.5 | ||||
| 743 | Y | 29.2 | Very low | 31.9 | Very low | 225 Ų | 225 | 133.3 Ų | 133.3 | 88% | 0.882 | 74% | 0.737 | S | S | * | * | trans | 23.6 | 117.3 | 137 | -56.5 | -78.4 | 0 | 0 | 0 | 120.2 | ||||
| 744 | E | 25.8 | Very low | 32.8 | Very low | 194 Ų | 194 | 133.5 Ų | 133.5 | 91% | 0.907 | 73% | 0.728 | S | S | * | * | -147.5 | 163.2 | 128 | -133.2 | 171.8 | -142 | 0 | 0 | 111.5 | |||||
| 745 | T | 27.9 | Very low | 33.8 | Very low | 130 Ų | 130 | 130.5 Ų | 130.5 | 80% | 0.798 | 71% | 0.713 | S | S | * | * | trans | -47.6 | 133.8 | -158.9 | -34.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 746 | E | 27.3 | Very low | 34 | Very low | 166 Ų | 166 | 133.9 Ų | 133.9 | 78% | 0.776 | 71% | 0.71 | S | S | * | * | trans | -72.3 | 130.1 | 169.3 | -62.7 | -174.5 | 126.7 | 0 | 0 | 112.7 | ||||
| 747 | Q | 32.5 | Very low | 34.4 | Very low | 195 Ų | 195 | 133.5 Ų | 133.5 | 91% | 0.911 | 70% | 0.7 | S | S | * | * | trans | -131.6 | 67.4 | 154.9 | -70.7 | -168.7 | 6.9 | 0 | 0 | 108.9 | ||||
| 748 | S | 34.4 | Very low | 34.9 | Very low | 85 Ų | 85 | 133.9 Ų | 133.9 | 59% | 0.594 | 69% | 0.692 | S | S | * | * | trans | -79.8 | 149.5 | -179.4 | 45.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 749 | S | 38.7 | Very low | 35.2 | Very low | 61 Ų | 61 | 133 Ų | 133 | 43% | 0.427 | 68% | 0.682 | S | S | . | * | trans | -85.1 | 157.4 | -164.1 | 81.3 | 0 | 0 | 0 | 0 | 113.7 | I751 D752 | S749-I751 PolarHBondContact O-N 2.71Å; S749-D752 PolarHBondContact O-N 3.43Å | ||
| 750 | P | 41.7 | Very low | 35.3 | Very low | 108 Ų | 108 | 133.4 Ų | 133.4 | 70% | 0.701 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -60 | -12.6 | -178.7 | -26.5 | 35.9 | 0 | 0 | 0 | 116.4 | ||
| 751 | I | 43 | Very low | 35.7 | Very low | 125 Ų | 125 | 133.1 Ų | 133.1 | 64% | 0.641 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -69.7 | -42 | -179.7 | -61.3 | 176.8 | 0 | 0 | 0 | 110.7 | S749 F753 I754 S755 | S749-I751 PolarHBondContact O-N 2.71Å; I751-F753 PolarHBondContact O-N 3.44Å; I751-I754 PolarHBondContact O-N 3.26Å; I751-S755 PolarHBondContact O-N 2.92Å |
| 752 | D | 42.9 | Very low | 35.8 | Very low | 91 Ų | 91 | 136.7 Ų | 136.7 | 49% | 0.487 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -66 | -27.5 | 180 | -66.3 | -53.3 | 0 | 0 | 0 | 112.7 | S749 R756 | S749-D752 PolarHBondContact O-N 3.43Å; D752-R756 WeakPolarHBondContact O-CB 3.43Å; D752-R756 PolarHBondContact O-N 3.4Å |
| 753 | F | 43.6 | Very low | 35.8 | Very low | 147 Ų | 147 | 136.8 Ų | 136.8 | 65% | 0.645 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -67.3 | -37 | 177.4 | -164.5 | -93.8 | 0 | 0 | 0 | 112 | I751 L757 | I751-F753 PolarHBondContact O-N 3.44Å; F753-L757 HydrophobicContact CD1-CD1 4.2Å; F753-L757 HydrophobicContact CE1-CD1 3.76Å; F753-L757 HydrophobicContact CZ-CD1 4.21Å; F753-L757 PolarHBondContact O-N 2.81Å |
| 754 | I | 42.4 | Very low | 35.6 | Very low | 114 Ų | 114 | 132.8 Ų | 132.8 | 59% | 0.585 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -72.1 | -42.2 | 178.1 | -62.7 | 176.7 | 0 | 0 | 0 | 110.5 | I751 R756 L757 | I751-I754 PolarHBondContact O-N 3.26Å; I754-R756 PolarHBondContact O-N 3.03Å; I754-L757 PolarHBondContact O-N 2.92Å |
| 755 | S | 44.7 | Very low | 35.5 | Very low | 72 Ų | 72 | 128.9 Ų | 128.9 | 50% | 0.503 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -63.4 | -40.1 | 174.8 | -71.3 | 0 | 0 | 0 | 0 | 112.6 | I751 L757 I758 T759 | I751-S755 PolarHBondContact O-N 2.92Å; S755-L757 VanDerWaalsContact C-N 3.26Å; S755-L757 PolarHBondContact O-N 3.2Å; S755-I758 PolarHBondContact O-N 2.84Å; S755-T759 PolarHBondContact O-N 3.36Å; S755-T759 PolarHBondContact O-OG1 2.89Å |
| 756 | R | 42.4 | Very low | 35.4 | Very low | 184 Ų | 184 | 131.1 Ų | 131.1 | 69% | 0.694 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -64.2 | -26.2 | 174.2 | -89.4 | -178.6 | 164.4 | 153.3 | -3.6 | 114 | D752 I754 I758 | D752-R756 WeakPolarHBondContact O-CB 3.43Å; D752-R756 PolarHBondContact O-N 3.4Å; I754-R756 PolarHBondContact O-N 3.03Å; R756-I758 VanDerWaalsContact C-N 3.34Å |
| 757 | L | 45.2 | Very low | 35.3 | Very low | 120 Ų | 120 | 127.6 Ų | 127.6 | 63% | 0.628 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -73.5 | -22.8 | 176.7 | -119.7 | 81.8 | 0 | 0 | 0 | 113.9 | F753 I754 S755 | F753-L757 HydrophobicContact CD1-CD1 4.2Å; F753-L757 HydrophobicContact CE1-CD1 3.76Å; F753-L757 HydrophobicContact CZ-CD1 4.21Å; F753-L757 PolarHBondContact O-N 2.81Å; I754-L757 PolarHBondContact O-N 2.92Å; S755-L757 VanDerWaalsContact C-N 3.26Å; S755-L757 PolarHBondContact O-N 3.2Å |
| 758 | I | 37.9 | Very low | 35 | Very low | 122 Ų | 122 | 124.6 Ų | 124.6 | 63% | 0.626 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -97.1 | -33.2 | -173 | -65.2 | 176 | 0 | 0 | 0 | 112.3 | S755 R756 | S755-I758 PolarHBondContact O-N 2.84Å; R756-I758 VanDerWaalsContact C-N 3.34Å |
| 759 | T | 36.9 | Very low | 34.8 | Very low | 105 Ų | 105 | 126.7 Ų | 126.7 | 64% | 0.644 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -83.6 | -19.6 | -175 | -39.2 | 0 | 0 | 0 | 0 | 114.1 | S755 T761 | S755-T759 PolarHBondContact O-N 3.36Å; S755-T759 PolarHBondContact O-OG1 2.89Å; T759-T761 VanDerWaalsContact C-N 3.28Å; T759-T761 PolarHBondContact O-N 3.31Å |
| 760 | N | 29.4 | Very low | 34.4 | Very low | 138 Ų | 138 | 131.9 Ų | 131.9 | 74% | 0.738 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | 10.4 | -176.8 | -85.5 | 1.6 | 0 | 0 | 0 | 115.2 | ||
| 761 | T | 31.6 | Very low | 33.6 | Very low | 119 Ų | 119 | 131.4 Ų | 131.4 | 73% | 0.73 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.8 | 34.3 | 170.9 | 56.3 | 0 | 0 | 0 | 0 | 112.7 | T759 | T759-T761 VanDerWaalsContact C-N 3.28Å; T759-T761 PolarHBondContact O-N 3.31Å |
| 762 | W | 29.1 | Very low | 32.7 | Very low | 217 Ų | 217 | 131.7 Ų | 131.7 | 82% | 0.822 | 70% | 0.696 | S | S | * | * | trans | -148.4 | 83.3 | 178 | -142.7 | 74.3 | 0 | 0 | 0 | 113.8 | ||||
| 763 | I | 25.1 | Very low | 31.8 | Very low | 154 Ų | 154 | 135.3 Ų | 135.3 | 79% | 0.79 | 71% | 0.71 | S | S | * | * | trans | -129.8 | 108.7 | 166.6 | -64.2 | -175.1 | 0 | 0 | 0 | 110 | ||||
| 764 | H | 26.2 | Very low | 31.2 | Very low | 142 Ų | 142 | 133.2 Ų | 133.2 | 66% | 0.657 | 71% | 0.711 | S | S | * | * | trans | 36.1 | 101.9 | 156.5 | -65.5 | -58.4 | 0 | 0 | 0 | 121.1 | ||||
| 765 | S | 22.7 | Very low | 30.3 | Very low | 111 Ų | 111 | 134 Ų | 134 | 78% | 0.776 | 72% | 0.715 | S | S | * | * | -61.7 | 139.1 | 118.9 | 169.3 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 766 | Q | 25.7 | Very low | 29.3 | Very low | 177 Ų | 177 | 138.8 Ų | 138.8 | 83% | 0.827 | 73% | 0.729 | S | S | * | * | trans | -121.5 | 153.5 | 156.3 | -90.4 | -167.9 | 0.1 | 0 | 0 | 108.3 | ||||
| 767 | A | 26.4 | Very low | 28.5 | Very low | 93 Ų | 93 | 139.3 Ų | 139.3 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | trans | -125.3 | 176 | -161.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 768 | N | 24.8 | Very low | 27.5 | Very low | 132 Ų | 132 | 140 Ų | 140 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | trans | 99.8 | 87.9 | 143.7 | -153.1 | 74 | 0 | 0 | 0 | 118.7 | ||||
| 769 | N | 31.3 | Very low | 27.1 | Very low | 129 Ų | 129 | 141.5 Ų | 141.5 | 69% | 0.69 | 76% | 0.755 | S | S | * | * | trans | 60.8 | 106.7 | 130.5 | -53.6 | -0.2 | 0 | 0 | 0 | 120.1 | ||||
| 770 | N | 29.1 | Very low | 26.6 | Very low | 169 Ų | 169 | 143.7 Ų | 143.7 | 90% | 0.904 | 76% | 0.762 | S | S | * | * | -168.7 | 150.7 | 117.8 | -102 | -33.3 | 0 | 0 | 0 | 113.9 | |||||
| 771 | S | 24.6 | Very low | 26.6 | Very low | 99 Ų | 99 | 140.6 Ų | 140.6 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | trans | 67 | 142 | 171.4 | -115.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 772 | D | 24.4 | Very low | 26.5 | Very low | 131 Ų | 131 | 142.6 Ų | 142.6 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | trans | 58.7 | 82.1 | 151.5 | -50.9 | 1.4 | 0 | 0 | 0 | 116.4 | ||||
| 773 | Q | 24.3 | Very low | 26.3 | Very low | 167 Ų | 167 | 137.4 Ų | 137.4 | 78% | 0.78 | 75% | 0.753 | S | S | * | * | 77.7 | 154.3 | 81 | -78 | -163.9 | 28.3 | 0 | 0 | 114.6 | |||||
| 774 | P | 31.1 | Very low | 26.4 | Very low | 103 Ų | 103 | 134.9 Ų | 134.9 | 67% | 0.669 | 74% | 0.741 | S | S | * | * | cis | -122.1 | 148.5 | -1.1 | 12.8 | 12.3 | 0 | 0 | 0 | 115.8 | ||||
| 775 | I | 22.7 | Very low | 26.4 | Very low | 131 Ų | 131 | 134.3 Ų | 134.3 | 67% | 0.672 | 74% | 0.742 | S | S | * | * | 55.6 | 127.9 | 120.2 | -52.5 | 168.1 | 0 | 0 | 0 | 120.3 | |||||
| 776 | E | 24.7 | Very low | 26.5 | Very low | 172 Ų | 172 | 135.5 Ų | 135.5 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | trans | -4.5 | 137 | 148.7 | -50.4 | 167 | 123.3 | 0 | 0 | 118.9 | ||||
| 777 | M | 25 | Very low | 26.4 | Very low | 194 Ų | 194 | 135.2 Ų | 135.2 | 96% | 0.956 | 74% | 0.737 | S | S | * | * | -153.6 | 155.8 | 116.2 | -114.4 | -178.2 | -62.1 | 0 | 0 | 112.5 | |||||
| 778 | N | 25.5 | Very low | 26.2 | Very low | 136 Ų | 136 | 135.4 Ų | 135.4 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | trans | -109.4 | 129.9 | -175.7 | 163.3 | 44.1 | 0 | 0 | 0 | 109.7 | ||||
| 779 | L | 29.4 | Very low | 26.2 | Very low | 152 Ų | 152 | 136 Ų | 136 | 80% | 0.796 | 74% | 0.735 | S | S | * | * | trans | 179.3 | 156.5 | 138.1 | -100 | 158.8 | 0 | 0 | 0 | 112.2 | ||||
| 780 | D | 26 | Very low | 26.1 | Very low | 151 Ų | 151 | 135.4 Ų | 135.4 | 81% | 0.807 | 74% | 0.738 | S | S | * | * | trans | -72.5 | 155.4 | -174.6 | -51.4 | -87.3 | 0 | 0 | 0 | 114.2 | ||||
| 781 | G | 29.5 | Very low | 25.8 | Very low | 74 Ų | 74 | 133 Ų | 133 | 76% | 0.763 | 73% | 0.725 | S | S | * | * | trans | -156.2 | 40 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | L783 | G781-L783 PolarHBondContact O-N 3.5Š| ||
| 782 | E | 28 | Very low | 25.8 | Very low | 161 Ų | 161 | 132.4 Ų | 132.4 | 75% | 0.752 | 72% | 0.718 | S | S | * | * | trans | -67.6 | 86 | 173.1 | -72.8 | -165.6 | 170.2 | 0 | 0 | 112.2 | N784 | E782-N784 PolarHBondContact O-N 2.82Å; E782-N784 PolarHBondContact OE2-ND2 2.8Å | ||
| 783 | L | 25.1 | Very low | 25.7 | Very low | 108 Ų | 108 | 132.2 Ų | 132.2 | 57% | 0.565 | 72% | 0.717 | S | S | * | * | trans | -82.9 | 77.7 | 151.3 | -82.6 | 176.2 | 0 | 0 | 0 | 109.3 | G781 F1050 | G781-L783 PolarHBondContact O-N 3.5Å; L783-F1050 HydrophobicContact CD1-CB 3.71Å; L783-F1050 HydrophobicContact CD1-CD1 3.57Å; L783-F1050 HydrophobicContact CD1-CD2 4.12Å; L783-F1050 HydrophobicContact CD1-CE1 4.24Å; L783-F1050 HydrophobicContact CD1-CG 3.52Å | ||
| 784 | N | 26.9 | Very low | 25.8 | Very low | 101 Ų | 101 | 130.1 Ų | 130.1 | 54% | 0.54 | 71% | 0.711 | S | S | . | * | trans | -56.5 | 141.5 | 168.9 | -82.3 | -63.7 | 0 | 0 | 0 | 111.7 | E782 | E782-N784 PolarHBondContact O-N 2.82Å; E782-N784 PolarHBondContact OE2-ND2 2.8Å | ||
| 785 | N | 27.5 | Very low | 25.5 | Very low | 129 Ų | 129 | 129.9 Ų | 129.9 | 69% | 0.69 | 70% | 0.704 | S | S | * | * | trans | 66.6 | 118.9 | 164.2 | -56.2 | -40.2 | 0 | 0 | 0 | 117.2 | ||||
| 786 | I | 23.8 | Very low | 25.6 | Very low | 137 Ų | 137 | 128.9 Ų | 128.9 | 70% | 0.703 | 70% | 0.7 | S | S | * | * | cis | 78.4 | 142.5 | 43.1 | -56.7 | 164.9 | 0 | 0 | 0 | 112.3 | ||||
| 787 | Q | 24.3 | Very low | 25.6 | Very low | 170 Ų | 170 | 126.3 Ų | 126.3 | 79% | 0.794 | 69% | 0.692 | S | S | * | * | trans | 71.2 | 91.5 | 178.9 | -77.4 | 148.1 | 7.5 | 0 | 0 | 113.9 | ||||
| 788 | S | 22.1 | Very low | 25.6 | Very low | 97 Ų | 97 | 123.2 Ų | 123.2 | 68% | 0.678 | 68% | 0.679 | S | S | * | * | 79.9 | 132.7 | 75.2 | 73.3 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 789 | L | 25.8 | Very low | 25.7 | Very low | 145 Ų | 145 | 123.1 Ų | 123.1 | 76% | 0.759 | 68% | 0.679 | S | S | * | * | 33.6 | 132.3 | 89.7 | -81.3 | 87.1 | 0 | 0 | 0 | 113.6 | |||||
| 790 | P | 28.8 | Very low | 25.4 | Very low | 116 Ų | 116 | 122 Ų | 122 | 75% | 0.753 | 67% | 0.674 | S | S | * | * | cis | -106.6 | 150.3 | 20.9 | 42.8 | -35.7 | 0 | 0 | 0 | 111.4 | ||||
| 791 | N | 22.9 | Very low | 25.5 | Very low | 118 Ų | 118 | 121.6 Ų | 121.6 | 63% | 0.631 | 67% | 0.672 | S | S | * | * | 60.4 | 137.8 | 52.7 | -152 | 45.7 | 0 | 0 | 0 | 111.9 | |||||
| 792 | T | 24 | Very low | 25.3 | Very low | 87 Ų | 87 | 126.1 Ų | 126.1 | 53% | 0.534 | 68% | 0.675 | S | S | . | * | trans | 24.3 | 118.4 | 152.4 | 62 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 793 | N | 22 | Very low | 25.2 | Very low | 128 Ų | 128 | 124.6 Ų | 124.6 | 68% | 0.684 | 67% | 0.671 | S | S | * | * | -143.2 | 143.7 | 58 | -69.2 | -53.2 | 0 | 0 | 0 | 110.6 | |||||
| 794 | N | 25.8 | Very low | 25.3 | Very low | 122 Ų | 122 | 125 Ų | 125 | 65% | 0.652 | 68% | 0.678 | S | S | * | * | cis | 62.4 | 161.7 | 42.6 | -159.3 | 40.5 | 0 | 0 | 0 | 112.1 | ||||
| 795 | D | 25.3 | Very low | 25.2 | Very low | 98 Ų | 98 | 126.3 Ų | 126.3 | 52% | 0.524 | 68% | 0.684 | S | S | . | * | trans | 61.9 | 126.8 | 166.5 | -51.8 | -59.8 | 0 | 0 | 0 | 118.4 | ||||
| 796 | N | 25.9 | Very low | 25 | Very low | 110 Ų | 110 | 129.6 Ų | 129.6 | 59% | 0.588 | 69% | 0.688 | S | S | * | * | cis | -165.1 | 145.9 | -13.3 | -115.4 | -21.2 | 0 | 0 | 0 | 110.6 | ||||
| 797 | N | 24.1 | Very low | 25.2 | Very low | 119 Ų | 119 | 130 Ų | 130 | 64% | 0.636 | 69% | 0.687 | S | S | * | * | trans | 44.2 | 166.1 | 131 | -55.7 | -19 | 0 | 0 | 0 | 122.5 | ||||
| 798 | N | 24.9 | Very low | 25.3 | Very low | 128 Ų | 128 | 127.5 Ų | 127.5 | 68% | 0.684 | 69% | 0.688 | S | S | * | * | trans | 70.7 | 119.4 | 148.5 | -64.3 | -17.3 | 0 | 0 | 0 | 116.7 | ||||
| 799 | N | 26.8 | Very low | 25.7 | Very low | 135 Ų | 135 | 128.1 Ų | 128.1 | 72% | 0.722 | 68% | 0.684 | S | S | * | * | cis | -144.9 | 148.5 | 10.8 | -71.6 | -59.2 | 0 | 0 | 0 | 109.3 | ||||
| 800 | N | 25 | Very low | 26.1 | Very low | 128 Ų | 128 | 129.6 Ų | 129.6 | 68% | 0.684 | 69% | 0.687 | S | S | * | * | 60.2 | 88.6 | 60.2 | -78.4 | -8.4 | 0 | 0 | 0 | 115 | |||||
| 801 | N | 27.2 | Very low | 26.3 | Very low | 143 Ų | 143 | 131 Ų | 131 | 77% | 0.765 | 69% | 0.687 | S | S | * | * | 158.9 | 166.2 | 112.8 | -78.1 | -27.2 | 0 | 0 | 0 | 114 | |||||
| 802 | M | 25.5 | Very low | 26.7 | Very low | 168 Ų | 168 | 131.1 Ų | 131.1 | 83% | 0.828 | 68% | 0.684 | S | S | * | * | trans | 78.8 | 116.5 | -170.4 | -55.2 | -64.5 | -75 | 0 | 0 | 113.7 | ||||
| 803 | I | 26.1 | Very low | 27.4 | Very low | 130 Ų | 130 | 132.2 Ų | 132.2 | 67% | 0.667 | 68% | 0.683 | S | S | * | * | cis | 66.3 | 108.6 | 9.4 | -52.3 | 175.2 | 0 | 0 | 0 | 110.9 | ||||
| 804 | T | 26.2 | Very low | 27.9 | Very low | 117 Ų | 117 | 132.9 Ų | 132.9 | 72% | 0.718 | 68% | 0.684 | S | S | * | * | cis | -161.7 | 165.7 | 36.7 | -9.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 805 | L | 24.5 | Very low | 28.1 | Very low | 127 Ų | 127 | 134.1 Ų | 134.1 | 67% | 0.665 | 69% | 0.69 | S | S | * | * | trans | 86.3 | 138.3 | 141.6 | -82.2 | 167.6 | 0 | 0 | 0 | 123.6 | ||||
| 806 | Y | 24.3 | Very low | 28.7 | Very low | 199 Ų | 199 | 134.3 Ų | 134.3 | 78% | 0.78 | 69% | 0.694 | S | S | * | * | trans | 68.1 | 137 | 164.2 | -64.2 | -59.2 | 0 | 0 | 0 | 118.5 | ||||
| 807 | Q | 28.8 | Very low | 28.8 | Very low | 146 Ų | 146 | 137.7 Ų | 137.7 | 68% | 0.682 | 70% | 0.699 | S | S | * | * | cis | -153.1 | 132 | -4.1 | 175.6 | 173.1 | -4.4 | 0 | 0 | 111.3 | N809 | Q807-N809 PolarHBondContact NE2-ND2 3.45Š| ||
| 808 | S | 25.8 | Very low | 28.9 | Very low | 117 Ų | 117 | 139 Ų | 139 | 82% | 0.818 | 70% | 0.701 | S | S | * | * | trans | -89.5 | 135.9 | 171.9 | -51.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 809 | N | 30.9 | Very low | 29 | Very low | 109 Ų | 109 | 141 Ų | 141 | 58% | 0.583 | 71% | 0.712 | S | S | * | * | trans | -153 | -32.4 | 169.7 | -108 | -14.7 | 0 | 0 | 0 | 115 | Q807 L811 Q812 | Q807-N809 PolarHBondContact NE2-ND2 3.45Å; N809-L811 VanDerWaalsContact C-N 3.34Å; N809-L811 PolarHBondContact O-N 3.02Å; N809-Q812 PolarHBondContact O-N 3.4Å; N809-Q812 VanDerWaalsContact O-N 3.14Å | ||
| 810 | E | 34.2 | Very low | 29 | Very low | 177 Ų | 177 | 140 Ų | 140 | 83% | 0.827 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -68.4 | -26.2 | -170.1 | -63 | -175.8 | 135.6 | 0 | 0 | 114.8 | Q812 | E810-Q812 VanDerWaalsContact C-N 3.34Å |
| 811 | L | 31.1 | Very low | 29.1 | Very low | 144 Ų | 144 | 141.9 Ų | 141.9 | 75% | 0.754 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -77.9 | -13.4 | 175.5 | -84.5 | 165.5 | 0 | 0 | 0 | 114.2 | N809 M814 | N809-L811 VanDerWaalsContact C-N 3.34Å; N809-L811 PolarHBondContact O-N 3.02Å; L811-M814 HydrophobicContact CD2-CE 4.17Å |
| 812 | Q | 31.7 | Very low | 29.2 | Very low | 122 Ų | 122 | 140.9 Ų | 140.9 | 57% | 0.57 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -84.2 | -37.5 | 178.7 | -169.9 | 63.3 | 50.3 | 0 | 0 | 112.1 | N809 E810 M814 L815 T816 | N809-Q812 PolarHBondContact O-N 3.4Å; N809-Q812 VanDerWaalsContact O-N 3.14Å; E810-Q812 VanDerWaalsContact C-N 3.34Å; Q812-M814 VanDerWaalsContact C-N 3.31Å; Q812-M814 PolarHBondContact O-N 2.6Å; Q812-L815 PolarHBondContact O-N 3.1Å; Q812-T816 PolarHBondContact O-N 2.92Å; Q812-T816 PolarHBondContact O-OG1 2.84Å |
| 813 | E | 39.1 | Very low | 29.2 | Very low | 110 Ų | 110 | 141.1 Ų | 141.1 | 51% | 0.514 | 70% | 0.704 | S | S | . | * | H | α-helix | trans | -68.3 | -33.7 | 178.6 | -163.7 | -179.5 | 164.1 | 0 | 0 | 111.6 | L815 T816 R817 | E813-L815 PolarHBondContact O-N 3.04Å; E813-T816 PolarHBondContact O-N 3.26Å; E813-R817 IonicContact OE1-CZ 3.82Å; E813-R817 IonicContact OE1-NE 3.1Å; E813-R817 PolarHBondContact OE1-NE 3.15Å; E813-R817 IonicContact OE1-NH2 2.6Å; E813-R817 PolarHBondContact OE1-NH2 3.2Å |
| 814 | M | 31.7 | Very low | 29.3 | Very low | 141 Ų | 141 | 141 Ų | 141 | 70% | 0.695 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -63.3 | -22.3 | 175.4 | -154.3 | -170.8 | -53.9 | 0 | 0 | 113.2 | L811 Q812 | L811-M814 HydrophobicContact CD2-CE 4.17Å; Q812-M814 VanDerWaalsContact C-N 3.31Å; Q812-M814 PolarHBondContact O-N 2.6Å |
| 815 | L | 30.1 | Very low | 29.2 | Very low | 149 Ų | 149 | 141.9 Ų | 141.9 | 78% | 0.78 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -102.8 | -8 | -177.9 | -133.9 | 76.2 | 0 | 0 | 0 | 114.5 | Q812 E813 | Q812-L815 PolarHBondContact O-N 3.1Å; E813-L815 PolarHBondContact O-N 3.04Å |
| 816 | T | 38.1 | Very low | 29.8 | Very low | 101 Ų | 101 | 140.2 Ų | 140.2 | 62% | 0.62 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -105.2 | -3.1 | 177.9 | 32.4 | 0 | 0 | 0 | 0 | 114.3 | Q812 E813 Q818 | Q812-T816 PolarHBondContact O-N 2.92Å; Q812-T816 PolarHBondContact O-OG1 2.84Å; E813-T816 PolarHBondContact O-N 3.26Å; T816-Q818 PolarHBondContact O-N 2.91Å |
| 817 | R | 28.5 | Very low | 30.1 | Very low | 182 Ų | 182 | 135.6 Ų | 135.6 | 69% | 0.687 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -88.9 | 91.9 | 164.3 | -63.9 | -168.1 | -171.4 | -157.4 | 6.1 | 110.8 | E813 | E813-R817 IonicContact OE1-CZ 3.82Å; E813-R817 IonicContact OE1-NE 3.1Å; E813-R817 PolarHBondContact OE1-NE 3.15Å; E813-R817 IonicContact OE1-NH2 2.6Å; E813-R817 PolarHBondContact OE1-NH2 3.2Å |
| 818 | Q | 25.8 | Very low | 29.9 | Very low | 146 Ų | 146 | 135.3 Ų | 135.3 | 68% | 0.682 | 70% | 0.701 | S | S | * | * | trans | 22.7 | 122 | 143.6 | -70.9 | 176.1 | -14.5 | 0 | 0 | 117.1 | T816 L820 | T816-Q818 PolarHBondContact O-N 2.91Å; Q818-L820 VanDerWaalsContact C-N 3.31Å; Q818-L820 HydrophobicContact CB-CB 3.79Å; Q818-L820 HydrophobicContact CG-CB 3.96Å | ||
| 819 | N | 26.8 | Very low | 29.9 | Very low | 171 Ų | 171 | 138.1 Ų | 138.1 | 91% | 0.914 | 70% | 0.701 | S | S | * | * | cis | 51.1 | 40.1 | 24.6 | -145.4 | 7.7 | 0 | 0 | 0 | 113.7 | ||||
| 820 | L | 27.6 | Very low | 29.6 | Very low | 113 Ų | 113 | 139.4 Ų | 139.4 | 59% | 0.592 | 71% | 0.707 | S | S | * | * | trans | -161.7 | 77.3 | 169.7 | -150.2 | 77.5 | 0 | 0 | 0 | 114.1 | Q818 | Q818-L820 VanDerWaalsContact C-N 3.31Å; Q818-L820 HydrophobicContact CB-CB 3.79Å; Q818-L820 HydrophobicContact CG-CB 3.96Å | ||
| 821 | M | 26.9 | Very low | 29.3 | Very low | 167 Ų | 167 | 136.6 Ų | 136.6 | 82% | 0.823 | 70% | 0.698 | S | S | * | * | trans | -172.6 | 90 | 162.8 | -83.4 | -55.8 | 179.3 | 0 | 0 | 106.4 | F823 | M821-F823 HydrophobicContact SD-CD2 4.32Å; M821-F823 HydrophobicContact SD-CE2 3.77Å | ||
| 822 | N | 28.5 | Very low | 29.3 | Very low | 122 Ų | 122 | 139.3 Ų | 139.3 | 65% | 0.652 | 71% | 0.707 | S | S | * | * | cis | 72.9 | 48.1 | 19.3 | -140 | 48.8 | 0 | 0 | 0 | 117.3 | ||||
| 823 | F | 27 | Very low | 29.1 | Very low | 174 Ų | 174 | 139.8 Ų | 139.8 | 76% | 0.763 | 71% | 0.713 | S | S | * | * | trans | -122.1 | 115.6 | 142.2 | -69.3 | -83.4 | 0 | 0 | 0 | 105.9 | M821 | M821-F823 HydrophobicContact SD-CD2 4.32Å; M821-F823 HydrophobicContact SD-CE2 3.77Å | ||
| 824 | N | 27.5 | Very low | 28.8 | Very low | 126 Ų | 126 | 140.7 Ų | 140.7 | 67% | 0.674 | 73% | 0.726 | S | S | * | * | 46.8 | 86.2 | 60.4 | -75.1 | -8.4 | 0 | 0 | 0 | 112.5 | P826 | N824-P826 WeakPolarHBondContact O-CD 3.27Š| |||
| 825 | D | 24.5 | Very low | 28.8 | Very low | 136 Ų | 136 | 140.7 Ų | 140.7 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | trans | -100.5 | 93.2 | 146.6 | -171 | -31.3 | 0 | 0 | 0 | 107.5 | S827 | D825-S827 PolarHBondContact O-N 2.95Å; D825-S827 VanDerWaalsContact O-N 3.14Å; D825-S827 WeakPolarHBondContact OD1-CB 3.4Å; D825-S827 PolarHBondContact OD1-N 3.26Å; D825-S827 PolarHBondContact OD1-OG 3.45Å | ||
| 826 | P | 37.6 | Very low | 29 | Very low | 92 Ų | 92 | 140.8 Ų | 140.8 | 60% | 0.597 | 74% | 0.735 | S | S | * | * | trans | -88.2 | 48.3 | -175.6 | 37.5 | -36.2 | 0 | 0 | 0 | 111.6 | N824 L828 | N824-P826 WeakPolarHBondContact O-CD 3.27Å; P826-L828 HydrophobicContact CB-CD1 4.33Å; P826-L828 PolarHBondContact O-N 3.47Å | ||
| 827 | S | 29.4 | Very low | 28.7 | Very low | 102 Ų | 102 | 145.3 Ų | 145.3 | 71% | 0.713 | 75% | 0.749 | S | S | * | * | trans | -73.9 | 59 | 166 | 39.9 | 0 | 0 | 0 | 0 | 111.1 | D825 | D825-S827 PolarHBondContact O-N 2.95Å; D825-S827 VanDerWaalsContact O-N 3.14Å; D825-S827 WeakPolarHBondContact OD1-CB 3.4Å; D825-S827 PolarHBondContact OD1-N 3.26Å; D825-S827 PolarHBondContact OD1-OG 3.45Å | ||
| 828 | L | 24.3 | Very low | 28.8 | Very low | 141 Ų | 141 | 143.9 Ų | 143.9 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | trans | -66.9 | 174.5 | 178.7 | -71.9 | 161.2 | 0 | 0 | 0 | 112.9 | P826 | P826-L828 HydrophobicContact CB-CD1 4.33Å; P826-L828 PolarHBondContact O-N 3.47Å | ||
| 829 | Q | 27.2 | Very low | 29.5 | Very low | 176 Ų | 176 | 139.6 Ų | 139.6 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | trans | 96.1 | 130.8 | 167.4 | -57.7 | -176.6 | 16.2 | 0 | 0 | 115 | ||||
| 830 | L | 24.7 | Very low | 30.2 | Very low | 136 Ų | 136 | 138.2 Ų | 138.2 | 71% | 0.712 | 73% | 0.733 | S | S | * | * | cis | -136 | 152.4 | 6.3 | -80.8 | 102.2 | 0 | 0 | 0 | 114.3 | ||||
| 831 | N | 27.4 | Very low | 31.2 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 63% | 0.631 | 73% | 0.73 | S | S | * | * | trans | 41.5 | 123.5 | 140.7 | -53.2 | 12.5 | 0 | 0 | 0 | 121.5 | ||||
| 832 | H | 32 | Very low | 32 | Very low | 201 Ų | 201 | 133.9 Ų | 133.9 | 93% | 0.931 | 71% | 0.713 | S | S | * | * | -145.9 | 126 | 126.2 | -115.1 | -78.5 | 0 | 0 | 0 | 109.9 | |||||
| 833 | D | 27.3 | Very low | 32.8 | Very low | 132 Ų | 132 | 131.6 Ų | 131.6 | 71% | 0.706 | 70% | 0.704 | S | S | * | * | trans | -95.8 | 152.6 | -170 | -74.8 | -64.5 | 0 | 0 | 0 | 114.2 | ||||
| 834 | T | 31.5 | Very low | 33.7 | Very low | 128 Ų | 128 | 129.7 Ų | 129.7 | 79% | 0.785 | 70% | 0.695 | S | S | * | * | trans | 61.9 | 85.4 | 156.3 | -45.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 835 | V | 33.2 | Very low | 34.6 | Very low | 142 Ų | 142 | 127.6 Ų | 127.6 | 86% | 0.861 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -126.3 | 143.4 | 136.3 | 179.1 | 0 | 0 | 0 | 0 | 108.2 | ||
| 836 | N | 34.3 | Very low | 35.4 | Very low | 150 Ų | 150 | 129.2 Ų | 129.2 | 80% | 0.802 | 69% | 0.685 | S | S | * | * | trans | -42.2 | 137.8 | -164.9 | -63.7 | -33.2 | 0 | 0 | 0 | 116.9 | L838 | N836-L838 PolarHBondContact O-N 3.37Š| ||
| 837 | Q | 30.4 | Very low | 35.6 | Very low | 196 Ų | 196 | 131.4 Ų | 131.4 | 92% | 0.916 | 69% | 0.689 | S | S | * | * | trans | -70.2 | 104.9 | -179.1 | -61.9 | 170.2 | 6.2 | 0 | 0 | 111.7 | ||||
| 838 | L | 31.3 | Very low | 36.1 | Very low | 152 Ų | 152 | 133.1 Ų | 133.1 | 80% | 0.796 | 68% | 0.683 | S | S | * | * | trans | -68.2 | 130 | 148.2 | -80.8 | 166.9 | 0 | 0 | 0 | 107.7 | N836 L840 | N836-L838 PolarHBondContact O-N 3.37Å; L838-L840 PolarHBondContact O-N 3.39Å | ||
| 839 | S | 39.5 | Very low | 36.6 | Very low | 57 Ų | 57 | 134.6 Ų | 134.6 | 40% | 0.399 | 69% | 0.688 | S | S | . | * | trans | -64.8 | 134.6 | -173.8 | -172.8 | 0 | 0 | 0 | 0 | 110.5 | N841 D842 V843 | S839-N841 PolarHBondContact O-N 3.07Å; S839-N841 VanDerWaalsContact O-N 3.07Å; S839-N841 WeakPolarHBondContact OG-CB 3.4Å; S839-N841 PolarHBondContact OG-N 3.15Å; S839-D842 VanDerWaalsContact CB-OD2 3.23Å; S839-D842 WeakPolarHBondContact CB-OD2 3.49Å; S839-D842 PolarHBondContact O-N 2.82Å; S839-V843 PolarHBondContact O-N 3.15Å | ||
| 840 | L | 41.2 | Very low | 37.2 | Very low | 142 Ų | 142 | 135.4 Ų | 135.4 | 74% | 0.743 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -57.4 | -24.4 | 170.8 | -113.2 | 171.5 | 0 | 0 | 0 | 111.6 | L838 F844 | L838-L840 PolarHBondContact O-N 3.39Å; L840-F844 VanDerWaalsContact O-CB 3.32Å; L840-F844 WeakPolarHBondContact O-CB 3.45Å; L840-F844 PolarHBondContact O-N 2.95Å |
| 841 | N | 49.4 | Very low | 37.3 | Very low | 102 Ų | 102 | 136.5 Ų | 136.5 | 55% | 0.545 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -68.9 | -32.5 | 174.7 | -156.6 | 64.5 | 0 | 0 | 0 | 112.6 | S839 F844 N845 | S839-N841 PolarHBondContact O-N 3.07Å; S839-N841 VanDerWaalsContact O-N 3.07Å; S839-N841 WeakPolarHBondContact OG-CB 3.4Å; S839-N841 PolarHBondContact OG-N 3.15Å; N841-F844 PolarHBondContact O-N 2.89Å; N841-N845 WeakPolarHBondContact O-CB 3.3Å; N841-N845 PolarHBondContact O-N 3.02Å; N841-N845 PolarHBondContact O-ND2 2.87Å; N841-N845 VanDerWaalsContact O-ND2 3.14Å |
| 842 | D | 43.3 | Very low | 37.3 | Very low | 87 Ų | 87 | 138.8 Ų | 138.8 | 47% | 0.465 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -75.7 | -39.9 | 177.9 | -57.7 | -34.3 | 0 | 0 | 0 | 110.7 | S839 F844 N845 F846 | S839-D842 VanDerWaalsContact CB-OD2 3.23Å; S839-D842 WeakPolarHBondContact CB-OD2 3.49Å; S839-D842 PolarHBondContact O-N 2.82Å; D842-F844 VanDerWaalsContact C-N 3.3Å; D842-F844 PolarHBondContact O-N 3.47Å; D842-N845 PolarHBondContact O-N 3.39Å; D842-F846 WeakPolarHBondContact O-CB 3.48Å; D842-F846 PolarHBondContact O-N 3.12Å |
| 843 | V | 45.4 | Very low | 37.7 | Very low | 74 Ų | 74 | 134.2 Ų | 134.2 | 45% | 0.448 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -60.9 | -40.8 | 169.1 | -178.3 | 0 | 0 | 0 | 0 | 110.8 | S839 F846 M847 | S839-V843 PolarHBondContact O-N 3.15Å; V843-F846 PolarHBondContact O-N 3.37Å; V843-M847 WeakPolarHBondContact O-CB 3.33Å; V843-M847 PolarHBondContact O-N 3.38Å |
| 844 | F | 46.4 | Very low | 37.7 | Very low | 134 Ų | 134 | 135.4 Ų | 135.4 | 59% | 0.588 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -66.5 | -39.5 | 176.6 | -152.6 | -91.3 | 0 | 0 | 0 | 112 | L840 N841 D842 K848 | L840-F844 VanDerWaalsContact O-CB 3.32Å; L840-F844 WeakPolarHBondContact O-CB 3.45Å; L840-F844 PolarHBondContact O-N 2.95Å; N841-F844 PolarHBondContact O-N 2.89Å; D842-F844 VanDerWaalsContact C-N 3.3Å; D842-F844 PolarHBondContact O-N 3.47Å; F844-K848 WeakPolarHBondContact O-CB 3.49Å; F844-K848 PolarHBondContact O-N 3.19Å |
| 845 | N | 46.2 | Very low | 37.6 | Very low | 81 Ų | 81 | 133.7 Ų | 133.7 | 43% | 0.433 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -63.5 | -45.9 | 173.6 | -73.9 | -31.5 | 0 | 0 | 0 | 111.7 | N841 D842 M847 K848 M849 | N841-N845 WeakPolarHBondContact O-CB 3.3Å; N841-N845 PolarHBondContact O-N 3.02Å; N841-N845 PolarHBondContact O-ND2 2.87Å; N841-N845 VanDerWaalsContact O-ND2 3.14Å; D842-N845 PolarHBondContact O-N 3.39Å; N845-M847 VanDerWaalsContact C-N 3.35Å; N845-M847 PolarHBondContact O-N 3.32Å; N845-K848 PolarHBondContact O-N 3.25Å; N845-M849 PolarHBondContact O-N 2.82Å |
| 846 | F | 42.1 | Very low | 37.2 | Very low | 170 Ų | 170 | 132.3 Ų | 132.3 | 75% | 0.746 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -64.8 | -38.2 | 179.1 | -148.2 | -86.2 | 0 | 0 | 0 | 112.1 | D842 V843 | D842-F846 WeakPolarHBondContact O-CB 3.48Å; D842-F846 PolarHBondContact O-N 3.12Å; V843-F846 PolarHBondContact O-N 3.37Å |
| 847 | M | 40.5 | Very low | 37 | Very low | 138 Ų | 138 | 130.6 Ų | 130.6 | 68% | 0.68 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -71.9 | -35.5 | 175.1 | -162.6 | 173.5 | -64.9 | 0 | 0 | 112.1 | V843 N845 M849 K850 | V843-M847 WeakPolarHBondContact O-CB 3.33Å; V843-M847 PolarHBondContact O-N 3.38Å; N845-M847 VanDerWaalsContact C-N 3.35Å; N845-M847 PolarHBondContact O-N 3.32Å; M847-M849 VanDerWaalsContact C-N 3.31Å; M847-M849 PolarHBondContact O-N 2.86Å; M847-K850 PolarHBondContact O-N 2.81Å |
| 848 | K | 41 | Very low | 36.8 | Very low | 138 Ų | 138 | 130 Ų | 130 | 60% | 0.6 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -67.2 | -28.4 | 176.5 | -167.6 | 172.8 | -174.7 | -179.9 | 0 | 112.9 | F844 N845 K850 Q851 | F844-K848 WeakPolarHBondContact O-CB 3.49Å; F844-K848 PolarHBondContact O-N 3.19Å; N845-K848 PolarHBondContact O-N 3.25Å; K848-K850 PolarHBondContact O-N 2.88Å; K848-K850 VanDerWaalsContact O-N 3.12Å; K848-Q851 PolarHBondContact O-N 3.4Å; K848-Q851 VanDerWaalsContact O-N 3.07Å |
| 849 | M | 35.4 | Very low | 36.6 | Very low | 172 Ų | 172 | 130.8 Ų | 130.8 | 85% | 0.847 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -8.3 | 169.2 | -78.6 | -169 | 68.7 | 0 | 0 | 114.5 | N845 M847 | N845-M849 PolarHBondContact O-N 2.82Å; M847-M849 VanDerWaalsContact C-N 3.31Å; M847-M849 PolarHBondContact O-N 2.86Å |
| 850 | K | 38.2 | Very low | 36 | Very low | 194 Ų | 194 | 135.3 Ų | 135.3 | 84% | 0.843 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | 6.6 | 170 | -81.7 | -169.3 | 173.1 | -178.4 | 0 | 115.2 | M847 K848 | M847-K850 PolarHBondContact O-N 2.81Å; K848-K850 PolarHBondContact O-N 2.88Å; K848-K850 VanDerWaalsContact O-N 3.12Å |
| 851 | Q | 26.3 | Very low | 35.4 | Very low | 158 Ų | 158 | 135.9 Ų | 135.9 | 74% | 0.738 | 71% | 0.706 | S | S | * | * | trans | -142.3 | 90.8 | 175 | -72.4 | -165.3 | -0.1 | 0 | 0 | 114.8 | K848 | K848-Q851 PolarHBondContact O-N 3.4Å; K848-Q851 VanDerWaalsContact O-N 3.07Å | ||
| 852 | L | 28.4 | Very low | 34.2 | Very low | 166 Ų | 166 | 138.3 Ų | 138.3 | 87% | 0.869 | 71% | 0.714 | S | S | * | * | trans | -169.3 | 147.6 | 140.5 | -133.5 | 74.1 | 0 | 0 | 0 | 110.4 | ||||
| 853 | P | 41.2 | Very low | 33.3 | Very low | 105 Ų | 105 | 141.8 Ų | 141.8 | 68% | 0.682 | 73% | 0.727 | S | S | * | * | cis | -121 | 168.1 | -37.5 | 19.8 | 0.7 | 0 | 0 | 0 | 112.8 | A855 | P853-A855 PolarHBondContact O-N 2.64Š| ||
| 854 | N | 26.9 | Very low | 32.4 | Very low | 157 Ų | 157 | 143.9 Ų | 143.9 | 84% | 0.84 | 75% | 0.745 | S | S | * | * | trans | -64.8 | 101.1 | 159.3 | -79.9 | -14.8 | 0 | 0 | 0 | 110.3 | T856 | N854-T856 VanDerWaalsContact C-N 3.29Å; N854-T856 PolarHBondContact O-N 3.27Å | ||
| 855 | A | 28.6 | Very low | 31.6 | Very low | 93 Ų | 93 | 142 Ų | 142 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | trans | -86.2 | 70.2 | 164 | 0 | 0 | 0 | 0 | 0 | 109.7 | P853 S857 | P853-A855 PolarHBondContact O-N 2.64Å; A855-S857 PolarHBondContact O-N 2.91Å; A855-S857 VanDerWaalsContact O-N 3.09Å | ||
| 856 | T | 25.8 | Very low | 31 | Very low | 112 Ų | 112 | 144.3 Ų | 144.3 | 69% | 0.687 | 77% | 0.771 | S | S | * | * | trans | -64.1 | 111.7 | 178.2 | -54.2 | 0 | 0 | 0 | 0 | 110.1 | N854 | N854-T856 VanDerWaalsContact C-N 3.29Å; N854-T856 PolarHBondContact O-N 3.27Å | ||
| 857 | S | 29.5 | Very low | 30.5 | Very low | 115 Ų | 115 | 143.1 Ų | 143.1 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -141.4 | 97.9 | 167.1 | -75.6 | 0 | 0 | 0 | 0 | 108.5 | A855 H859 | A855-S857 PolarHBondContact O-N 2.91Å; A855-S857 VanDerWaalsContact O-N 3.09Å; S857-H859 PolarHBondContact O-N 3.34Å | ||
| 858 | Q | 25.6 | Very low | 30.3 | Very low | 184 Ų | 184 | 142.1 Ų | 142.1 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | -64.2 | 125 | 173.7 | -65.1 | 166.1 | -35.4 | 0 | 0 | 108.6 | ||||
| 859 | H | 28.6 | Very low | 30.3 | Very low | 167 Ų | 167 | 141.8 Ų | 141.8 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -130.8 | 91.6 | 153.7 | -132.8 | -59.6 | 0 | 0 | 0 | 109.2 | S857 I861 | S857-H859 PolarHBondContact O-N 3.34Å; H859-I861 PolarHBondContact O-N 3.01Å | ||
| 860 | N | 25.2 | Very low | 30.7 | Very low | 153 Ų | 153 | 138.9 Ų | 138.9 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -55.4 | 133 | 147.1 | -83 | -6.7 | 0 | 0 | 0 | 107 | ||||
| 861 | I | 29.2 | Very low | 31.2 | Very low | 153 Ų | 153 | 133.9 Ų | 133.9 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | -149 | 136.9 | 128.3 | -102.1 | 153.3 | 0 | 0 | 0 | 107.1 | H859 | H859-I861 PolarHBondContact O-N 3.01Š| |||
| 862 | Q | 24.1 | Very low | 32.8 | Very low | 154 Ų | 154 | 131 Ų | 131 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | trans | -91.5 | 137.7 | -169.5 | 169.4 | 164.2 | -4.9 | 0 | 0 | 109.6 | ||||
| 863 | E | 25.3 | Very low | 34.4 | Very low | 160 Ų | 160 | 130.2 Ų | 130.2 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | trans | 42.9 | 102.5 | 139.5 | -169 | 175.5 | -148.6 | 0 | 0 | 118.3 | ||||
| 864 | S | 26.5 | Very low | 35.7 | Very low | 117 Ų | 117 | 128.3 Ų | 128.3 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | trans | -167.1 | 145.8 | 138.1 | 23.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 865 | A | 28.4 | Very low | 37.6 | Very low | 94 Ų | 94 | 125.2 Ų | 125.2 | 78% | 0.777 | 72% | 0.723 | S | S | * | * | trans | -94.3 | 126.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 866 | T | 33.5 | Very low | 39.8 | Very low | 130 Ų | 130 | 123.6 Ų | 123.6 | 80% | 0.798 | 71% | 0.709 | S | S | * | * | trans | -170.8 | 137.9 | 146.3 | 8.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 867 | D | 33.1 | Very low | 42.5 | Very low | 146 Ų | 146 | 125.8 Ų | 125.8 | 78% | 0.781 | 71% | 0.706 | S | S | * | * | trans | 34.1 | 80.3 | 161.3 | -59.4 | -5.7 | 0 | 0 | 0 | 118.2 | T869 | D867-T869 VanDerWaalsContact C-N 3.26Å; D867-T869 PolarHBondContact O-N 2.97Å | ||
| 868 | S | 35.3 | Very low | 45 | Very low | 117 Ų | 117 | 125.4 Ų | 125.4 | 82% | 0.818 | 69% | 0.693 | S | S | * | * | trans | -70.6 | 74.3 | 173.7 | 62.3 | 0 | 0 | 0 | 0 | 112.8 | T870 | S868-T870 PolarHBondContact O-N 3.5Š| ||
| 869 | T | 41.2 | Very low | 47.6 | Very low | 131 Ų | 131 | 120.9 Ų | 120.9 | 80% | 0.804 | 67% | 0.674 | S | S | * | * | trans | -71.3 | 104.3 | 160.3 | 48.7 | 0 | 0 | 0 | 0 | 108.6 | D867 D871 | D867-T869 VanDerWaalsContact C-N 3.26Å; D867-T869 PolarHBondContact O-N 2.97Å; T869-D871 PolarHBondContact O-N 2.82Å | ||
| 870 | T | 44.5 | Very low | 50.3 | Low | 110 Ų | 110 | 118.9 Ų | 118.9 | 68% | 0.675 | 66% | 0.663 | S | S | * | * | trans | -59.2 | 110.7 | -174.2 | -52.7 | 0 | 0 | 0 | 0 | 111.5 | S868 P872 | S868-T870 PolarHBondContact O-N 3.5Å; T870-P872 WeakPolarHBondContact O-CD 3.44Å | ||
| 871 | D | 47.8 | Very low | 53.1 | Low | 89 Ų | 89 | 115.6 Ų | 115.6 | 48% | 0.476 | 65% | 0.646 | S | S | . | * | trans | -57.4 | 122.2 | 178 | 174.3 | 18.9 | 0 | 0 | 0 | 111.3 | T869 Q873 S874 L875 | T869-D871 PolarHBondContact O-N 2.82Å; D871-Q873 PolarHBondContact O-N 3.38Å; D871-Q873 VanDerWaalsContact O-N 3.12Å; D871-Q873 WeakPolarHBondContact OD1-CB 3.17Å; D871-Q873 PolarHBondContact OD1-N 3.18Å; D871-Q873 WeakPolarHBondContact OD2-CB 3.19Å; D871-S874 WeakPolarHBondContact O-CB 3.49Å; D871-S874 PolarHBondContact O-N 2.97Å; D871-L875 PolarHBondContact O-N 3.48Å | ||
| 872 | P | 60.2 | Low | 55.2 | Low | 98 Ų | 98 | 114 Ų | 114 | 64% | 0.636 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -53 | -29.5 | 174.4 | -28.2 | 36.3 | 0 | 0 | 0 | 114.2 | T870 S874 L875 A876 | T870-P872 WeakPolarHBondContact O-CD 3.44Å; P872-S874 VanDerWaalsContact C-N 3.31Å; P872-S874 PolarHBondContact O-N 3.43Å; P872-L875 PolarHBondContact O-N 2.91Å; P872-A876 WeakPolarHBondContact O-CB 3.18Å; P872-A876 PolarHBondContact O-N 2.99Å |
| 873 | Q | 62 | Low | 57.9 | Low | 149 Ų | 149 | 111.5 Ų | 111.5 | 70% | 0.696 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -61.1 | -41.4 | 175.5 | -133.6 | 84.4 | -16.8 | 0 | 0 | 111.3 | D871 A876 Y877 | D871-Q873 PolarHBondContact O-N 3.38Å; D871-Q873 VanDerWaalsContact O-N 3.12Å; D871-Q873 WeakPolarHBondContact OD1-CB 3.17Å; D871-Q873 PolarHBondContact OD1-N 3.18Å; D871-Q873 WeakPolarHBondContact OD2-CB 3.19Å; Q873-A876 PolarHBondContact O-N 3.39Å; Q873-Y877 PolarHBondContact O-N 3.26Å |
| 874 | S | 67.5 | Low | 60.8 | Low | 65 Ų | 65 | 107.2 Ų | 107.2 | 46% | 0.455 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -70.9 | -38.6 | 178.9 | -167.1 | 0 | 0 | 0 | 0 | 112 | D871 P872 Y877 M878 | D871-S874 WeakPolarHBondContact O-CB 3.49Å; D871-S874 PolarHBondContact O-N 2.97Å; P872-S874 VanDerWaalsContact C-N 3.31Å; P872-S874 PolarHBondContact O-N 3.43Å; S874-Y877 PolarHBondContact O-N 3.26Å; S874-M878 PolarHBondContact O-N 2.9Å; S874-M878 VanDerWaalsContact O-N 3.08Å |
| 875 | L | 67.3 | Low | 63.4 | Low | 93 Ų | 93 | 104.2 Ų | 104.2 | 49% | 0.487 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63.9 | -43 | 173.6 | -175.8 | 68.2 | 0 | 0 | 0 | 111.3 | D871 P872 Y877 M878 L879 | D871-L875 PolarHBondContact O-N 3.48Å; P872-L875 PolarHBondContact O-N 2.91Å; L875-Y877 VanDerWaalsContact C-N 3.32Å; L875-Y877 PolarHBondContact O-N 3.2Å; L875-M878 WeakPolarHBondContact O-CB 3.33Å; L875-M878 PolarHBondContact O-N 3.06Å; L875-L879 HydrophobicContact CG-CD1 4.15Å; L875-L879 WeakPolarHBondContact O-CG 3.33Å; L875-L879 PolarHBondContact O-N 3.22Å |
| 876 | A | 75.5 | Confident | 65.9 | Low | 58 Ų | 58 | 103.7 Ų | 103.7 | 48% | 0.479 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62.7 | -37.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | P872 Q873 K880 | P872-A876 WeakPolarHBondContact O-CB 3.18Å; P872-A876 PolarHBondContact O-N 2.99Å; Q873-A876 PolarHBondContact O-N 3.39Å; A876-K880 WeakPolarHBondContact O-CB 3.48Å; A876-K880 PolarHBondContact O-N 3.14Å |
| 877 | Y | 82.4 | Confident | 68.3 | Low | 159 Ų | 159 | 101.5 Ų | 101.5 | 62% | 0.624 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.1 | -39.4 | 174.1 | -155.3 | -84.8 | 0 | 0 | 0 | 111.9 | Q873 S874 L875 K880 N881 | Q873-Y877 PolarHBondContact O-N 3.26Å; S874-Y877 PolarHBondContact O-N 3.26Å; L875-Y877 VanDerWaalsContact C-N 3.32Å; L875-Y877 PolarHBondContact O-N 3.2Å; Y877-K880 PolarHBondContact O-N 2.97Å; Y877-N881 PolarHBondContact O-N 3.17Å |
| 878 | M | 82.3 | Confident | 70.8 | Confident | 106 Ų | 106 | 99 Ų | 99 | 52% | 0.522 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.4 | -46 | 178 | -147.1 | -178.3 | -55.1 | 0 | 0 | 112 | S874 L875 K880 N881 Q882 | S874-M878 PolarHBondContact O-N 2.9Å; S874-M878 VanDerWaalsContact O-N 3.08Å; L875-M878 WeakPolarHBondContact O-CB 3.33Å; L875-M878 PolarHBondContact O-N 3.06Å; M878-K880 VanDerWaalsContact C-N 3.32Å; M878-K880 PolarHBondContact O-N 2.95Å; M878-N881 PolarHBondContact O-N 3.46Å; M878-Q882 PolarHBondContact O-N 3.47Å |
| 879 | L | 79.9 | Confident | 73.2 | Confident | 89 Ų | 89 | 99 Ų | 99 | 47% | 0.466 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.5 | -38.7 | 173.9 | -73.8 | 168.6 | 0 | 0 | 0 | 112 | L875 Q882 L883 | L875-L879 HydrophobicContact CG-CD1 4.15Å; L875-L879 WeakPolarHBondContact O-CG 3.33Å; L875-L879 PolarHBondContact O-N 3.22Å; L879-Q882 PolarHBondContact O-N 3.31Å; L879-L883 PolarHBondContact O-N 3.25Å |
| 880 | K | 85.8 | Confident | 75.1 | Confident | 125 Ų | 125 | 96.3 Ų | 96.3 | 54% | 0.543 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64 | -46.9 | 174.9 | -172.1 | -176.6 | 174.6 | -169.6 | 0 | 111.6 | A876 Y877 M878 Q882 L883 D884 | A876-K880 WeakPolarHBondContact O-CB 3.48Å; A876-K880 PolarHBondContact O-N 3.14Å; Y877-K880 PolarHBondContact O-N 2.97Å; M878-K880 VanDerWaalsContact C-N 3.32Å; M878-K880 PolarHBondContact O-N 2.95Å; K880-Q882 VanDerWaalsContact C-N 3.27Å; K880-Q882 PolarHBondContact O-N 3.21Å; K880-L883 PolarHBondContact O-N 3.37Å; K880-L883 VanDerWaalsContact O-N 3.17Å; K880-D884 VanDerWaalsContact CE-OD2 3.3Å; K880-D884 WeakPolarHBondContact CE-OD2 3.27Å; K880-D884 WeakPolarHBondContact O-CB 3.44Å; K880-D884 PolarHBondContact O-N 3.4Å |
| 881 | N | 83.4 | Confident | 77.2 | Confident | 85 Ų | 85 | 97.7 Ų | 97.7 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.4 | -38.1 | 177.1 | -72.4 | -12.1 | 0 | 0 | 0 | 112.1 | Y877 M878 A885 | Y877-N881 PolarHBondContact O-N 3.17Å; M878-N881 PolarHBondContact O-N 3.46Å; N881-A885 WeakPolarHBondContact O-CB 3.42Å; N881-A885 PolarHBondContact O-N 2.91Å |
| 882 | Q | 73.7 | Confident | 79 | Confident | 118 Ų | 118 | 99.4 Ų | 99.4 | 55% | 0.551 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.8 | -43.8 | 174.3 | -74.2 | -178.2 | -35.7 | 0 | 0 | 112.3 | M878 L879 K880 A885 I886 | M878-Q882 PolarHBondContact O-N 3.47Å; L879-Q882 PolarHBondContact O-N 3.31Å; K880-Q882 VanDerWaalsContact C-N 3.27Å; K880-Q882 PolarHBondContact O-N 3.21Å; Q882-A885 PolarHBondContact O-N 2.88Å; Q882-I886 WeakPolarHBondContact O-CD1 3.05Å; Q882-I886 VanDerWaalsContact O-CG1 3.28Å; Q882-I886 WeakPolarHBondContact O-CG1 3.45Å; Q882-I886 PolarHBondContact O-N 2.85Å |
| 883 | L | 80.8 | Confident | 79.8 | Confident | 102 Ų | 102 | 99.3 Ų | 99.3 | 53% | 0.534 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 174.4 | -83.3 | 163.1 | 0 | 0 | 0 | 112.3 | L879 K880 A885 I886 N887 | L879-L883 PolarHBondContact O-N 3.25Å; K880-L883 PolarHBondContact O-N 3.37Å; K880-L883 VanDerWaalsContact O-N 3.17Å; L883-A885 VanDerWaalsContact C-N 3.32Å; L883-A885 PolarHBondContact O-N 3.49Å; L883-I886 PolarHBondContact O-N 3.31Å; L883-N887 WeakPolarHBondContact O-CB 3.43Å; L883-N887 PolarHBondContact O-N 2.91Å; L883-N887 PolarHBondContact O-ND2 3.47Å |
| 884 | D | 85.3 | Confident | 80.9 | Confident | 70 Ų | 70 | 98 Ų | 98 | 37% | 0.374 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.7 | -33.9 | 177.4 | -72.6 | -24.3 | 0 | 0 | 0 | 111.4 | K880 N888 | K880-D884 VanDerWaalsContact CE-OD2 3.3Å; K880-D884 WeakPolarHBondContact CE-OD2 3.27Å; K880-D884 WeakPolarHBondContact O-CB 3.44Å; K880-D884 PolarHBondContact O-N 3.4Å; D884-N888 PolarHBondContact O-N 3.34Å; D884-N888 PolarHBondContact O-ND2 2.98Å |
| 885 | A | 81.9 | Confident | 81.8 | Confident | 55 Ų | 55 | 101.2 Ų | 101.2 | 46% | 0.455 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.7 | -50.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | N881 Q882 L883 N887 N888 E889 | N881-A885 WeakPolarHBondContact O-CB 3.42Å; N881-A885 PolarHBondContact O-N 2.91Å; Q882-A885 PolarHBondContact O-N 2.88Å; L883-A885 VanDerWaalsContact C-N 3.32Å; L883-A885 PolarHBondContact O-N 3.49Å; A885-N887 VanDerWaalsContact C-N 3.29Å; A885-N887 PolarHBondContact O-N 3.32Å; A885-N888 WeakPolarHBondContact O-CB 3.47Å; A885-N888 PolarHBondContact O-N 3.09Å; A885-E889 PolarHBondContact O-N 2.97Å |
| 886 | I | 81.2 | Confident | 82.5 | Confident | 82 Ų | 82 | 102.9 Ų | 102.9 | 42% | 0.421 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.6 | -39.6 | 178 | -68.5 | 162.9 | 0 | 0 | 0 | 111 | Q882 L883 N888 E889 I890 | Q882-I886 WeakPolarHBondContact O-CD1 3.05Å; Q882-I886 VanDerWaalsContact O-CG1 3.28Å; Q882-I886 WeakPolarHBondContact O-CG1 3.45Å; Q882-I886 PolarHBondContact O-N 2.85Å; L883-I886 PolarHBondContact O-N 3.31Å; I886-N888 VanDerWaalsContact C-N 3.28Å; I886-N888 PolarHBondContact O-N 2.97Å; I886-E889 PolarHBondContact O-N 3.48Å; I886-I890 HydrophobicContact CG2-CD1 3.77Å; I886-I890 HydrophobicContact CG2-CG1 4.38Å; I886-I890 WeakPolarHBondContact O-CB 3.38Å; I886-I890 VanDerWaalsContact O-CG1 3.29Å; I886-I890 WeakPolarHBondContact O-CG1 3.41Å; I886-I890 PolarHBondContact O-N 3.05Å |
| 887 | N | 83.9 | Confident | 83.1 | Confident | 84 Ų | 84 | 105.7 Ų | 105.7 | 45% | 0.449 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.6 | -28.5 | 175.7 | -76.1 | -41.6 | 0 | 0 | 0 | 113.4 | L883 A885 K891 | L883-N887 WeakPolarHBondContact O-CB 3.43Å; L883-N887 PolarHBondContact O-N 2.91Å; L883-N887 PolarHBondContact O-ND2 3.47Å; A885-N887 VanDerWaalsContact C-N 3.29Å; A885-N887 PolarHBondContact O-N 3.32Å; N887-K891 WeakPolarHBondContact O-CG 3.41Å; N887-K891 PolarHBondContact O-N 2.89Å |
| 888 | N | 83.9 | Confident | 83.2 | Confident | 94 Ų | 94 | 100.8 Ų | 100.8 | 50% | 0.503 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -78.7 | -37.2 | 173.5 | -72.1 | -42.5 | 0 | 0 | 0 | 112 | D884 A885 I886 K891 L892 | D884-N888 PolarHBondContact O-N 3.34Å; D884-N888 PolarHBondContact O-ND2 2.98Å; A885-N888 WeakPolarHBondContact O-CB 3.47Å; A885-N888 PolarHBondContact O-N 3.09Å; I886-N888 VanDerWaalsContact C-N 3.28Å; I886-N888 PolarHBondContact O-N 2.97Å; N888-K891 WeakPolarHBondContact O-CB 3.26Å; N888-K891 PolarHBondContact O-N 2.86Å; N888-L892 PolarHBondContact O-N 2.76Å |
| 889 | E | 85.9 | Confident | 83.2 | Confident | 117 Ų | 117 | 99 Ų | 99 | 55% | 0.547 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.3 | -46 | 173.4 | -173.3 | 174.6 | -169.6 | 0 | 0 | 111.5 | A885 I886 K891 L892 I893 | A885-E889 PolarHBondContact O-N 2.97Å; I886-E889 PolarHBondContact O-N 3.48Å; E889-K891 VanDerWaalsContact C-N 3.26Å; E889-K891 PolarHBondContact O-N 3.42Å; E889-L892 WeakPolarHBondContact O-CB 3.47Å; E889-L892 PolarHBondContact O-N 3.5Å; E889-L892 VanDerWaalsContact O-N 3.08Å; E889-I893 HydrophobicContact CG-CD1 4.12Å; E889-I893 WeakPolarHBondContact O-CG1 3.23Å; E889-I893 PolarHBondContact O-N 3.45Å |
| 890 | I | 81.3 | Confident | 83 | Confident | 75 Ų | 75 | 98.8 Ų | 98.8 | 39% | 0.385 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.5 | -37.6 | 173.4 | -70.4 | 168.1 | 0 | 0 | 0 | 111.4 | I886 Q894 | I886-I890 HydrophobicContact CG2-CD1 3.77Å; I886-I890 HydrophobicContact CG2-CG1 4.38Å; I886-I890 WeakPolarHBondContact O-CB 3.38Å; I886-I890 VanDerWaalsContact O-CG1 3.29Å; I886-I890 WeakPolarHBondContact O-CG1 3.41Å; I886-I890 PolarHBondContact O-N 3.05Å; I890-Q894 HydrophobicContact CG2-CG 4.48Å; I890-Q894 WeakPolarHBondContact O-CB 3.38Å; I890-Q894 WeakPolarHBondContact O-CG 3.18Å; I890-Q894 PolarHBondContact O-N 3.34Å |
| 891 | K | 88.7 | Confident | 82.9 | Confident | 138 Ų | 138 | 97.6 Ų | 97.6 | 60% | 0.6 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.8 | -39.4 | 174 | -86.4 | 179.4 | 174.9 | 176.6 | 0 | 113.2 | N887 N888 E889 Q894 H895 | N887-K891 WeakPolarHBondContact O-CG 3.41Å; N887-K891 PolarHBondContact O-N 2.89Å; N888-K891 WeakPolarHBondContact O-CB 3.26Å; N888-K891 PolarHBondContact O-N 2.86Å; E889-K891 VanDerWaalsContact C-N 3.26Å; E889-K891 PolarHBondContact O-N 3.42Å; K891-Q894 PolarHBondContact O-N 3.17Å; K891-H895 WeakPolarHBondContact O-CB 3.46Å; K891-H895 PolarHBondContact O-N 3.02Å |
| 892 | L | 85.6 | Confident | 82.7 | Confident | 126 Ų | 126 | 100.1 Ų | 100.1 | 66% | 0.66 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.2 | -48.8 | 174.7 | -87 | 155.9 | 0 | 0 | 0 | 110.7 | N888 E889 Q894 H895 E896 | N888-L892 PolarHBondContact O-N 2.76Å; E889-L892 WeakPolarHBondContact O-CB 3.47Å; E889-L892 PolarHBondContact O-N 3.5Å; E889-L892 VanDerWaalsContact O-N 3.08Å; L892-Q894 VanDerWaalsContact C-N 3.32Å; L892-Q894 PolarHBondContact O-N 3.37Å; L892-H895 WeakPolarHBondContact O-CB 3.15Å; L892-H895 PolarHBondContact O-N 2.88Å; L892-H895 VanDerWaalsContact O-N 3.13Å; L892-E896 WeakPolarHBondContact O-CB 3.29Å; L892-E896 PolarHBondContact O-N 3.31Å |
| 893 | I | 78.4 | Confident | 82.5 | Confident | 96 Ų | 96 | 99.2 Ų | 99.2 | 49% | 0.492 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.1 | -39.5 | 176.9 | -64.5 | 165 | 0 | 0 | 0 | 111.2 | E889 E896 K897 | E889-I893 HydrophobicContact CG-CD1 4.12Å; E889-I893 WeakPolarHBondContact O-CG1 3.23Å; E889-I893 PolarHBondContact O-N 3.45Å; I893-E896 PolarHBondContact O-N 2.86Å; I893-K897 WeakPolarHBondContact O-CB 3.47Å; I893-K897 PolarHBondContact O-N 3.26Å |
| 894 | Q | 84.7 | Confident | 81.8 | Confident | 121 Ų | 121 | 96.9 Ų | 96.9 | 57% | 0.565 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.6 | -37.2 | 174.9 | -76.4 | 172.8 | 3.6 | 0 | 0 | 112.9 | I890 K891 L892 A898 | I890-Q894 HydrophobicContact CG2-CG 4.48Å; I890-Q894 WeakPolarHBondContact O-CB 3.38Å; I890-Q894 WeakPolarHBondContact O-CG 3.18Å; I890-Q894 PolarHBondContact O-N 3.34Å; K891-Q894 PolarHBondContact O-N 3.17Å; L892-Q894 VanDerWaalsContact C-N 3.32Å; L892-Q894 PolarHBondContact O-N 3.37Å; Q894-A898 WeakPolarHBondContact O-CB 3.38Å; Q894-A898 PolarHBondContact O-N 3.28Å |
| 895 | H | 86.2 | Confident | 81.3 | Confident | 133 Ų | 133 | 98 Ų | 98 | 62% | 0.616 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -68.1 | -44.3 | 174.8 | -175.3 | -71.1 | 0 | 0 | 0 | 111.5 | K891 L892 A898 T899 | K891-H895 WeakPolarHBondContact O-CB 3.46Å; K891-H895 PolarHBondContact O-N 3.02Å; L892-H895 WeakPolarHBondContact O-CB 3.15Å; L892-H895 PolarHBondContact O-N 2.88Å; L892-H895 VanDerWaalsContact O-N 3.13Å; H895-A898 PolarHBondContact O-N 3.06Å; H895-T899 PolarHBondContact ND1-OG1 3.39Å; H895-T899 WeakPolarHBondContact O-CB 3.44Å; H895-T899 PolarHBondContact O-N 3.08Å; H895-T899 PolarHBondContact O-OG1 3.07Å |
| 896 | E | 82 | Confident | 80.7 | Confident | 128 Ų | 128 | 100.1 Ų | 100.1 | 60% | 0.598 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.4 | -43 | 175.7 | -174.9 | 173.9 | -162 | 0 | 0 | 111.6 | L892 I893 T899 T900 | L892-E896 WeakPolarHBondContact O-CB 3.29Å; L892-E896 PolarHBondContact O-N 3.31Å; I893-E896 PolarHBondContact O-N 2.86Å; E896-T899 PolarHBondContact O-N 3.39Å; E896-T900 PolarHBondContact O-N 3.48Å; E896-T900 PolarHBondContact O-OG1 2.94Å |
| 897 | K | 86.9 | Confident | 79.3 | Confident | 117 Ų | 117 | 100.5 Ų | 100.5 | 51% | 0.509 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.7 | -49.4 | 171.9 | -165.4 | -156.3 | 171.8 | -121.6 | 0 | 111.3 | I893 T899 T900 E901 | I893-K897 WeakPolarHBondContact O-CB 3.47Å; I893-K897 PolarHBondContact O-N 3.26Å; K897-T899 PolarHBondContact O-N 3.02Å; K897-T900 WeakPolarHBondContact CA-OG1 3.41Å; K897-T900 PolarHBondContact O-N 3.39Å; K897-T900 PolarHBondContact O-OG1 2.93Å; K897-E901 IonicContact NZ-OE1 3.98Å; K897-E901 PolarHBondContact NZ-OE1 3.19Å; K897-E901 IonicContact NZ-OE2 2.68Å; K897-E901 PolarHBondContact NZ-OE2 3.22Å; K897-E901 WeakPolarHBondContact O-CB 3.45Å; K897-E901 PolarHBondContact O-N 3.46Å |
| 898 | A | 84.9 | Confident | 77.4 | Confident | 56 Ų | 56 | 103.7 Ų | 103.7 | 46% | 0.463 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.6 | -35 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q894 H895 M902 | Q894-A898 WeakPolarHBondContact O-CB 3.38Å; Q894-A898 PolarHBondContact O-N 3.28Å; H895-A898 PolarHBondContact O-N 3.06Å; A898-M902 WeakPolarHBondContact O-CB 3.25Å; A898-M902 PolarHBondContact O-N 3.3Å |
| 899 | T | 82.5 | Confident | 75.8 | Confident | 69 Ų | 69 | 101.9 Ų | 101.9 | 42% | 0.423 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.6 | -43.5 | 176.9 | -51.3 | 0 | 0 | 0 | 0 | 111.5 | H895 E896 K897 L903 | H895-T899 PolarHBondContact ND1-OG1 3.39Å; H895-T899 WeakPolarHBondContact O-CB 3.44Å; H895-T899 PolarHBondContact O-N 3.08Å; H895-T899 PolarHBondContact O-OG1 3.07Å; E896-T899 PolarHBondContact O-N 3.39Å; K897-T899 PolarHBondContact O-N 3.02Å; T899-L903 WeakPolarHBondContact O-CB 3.45Å; T899-L903 PolarHBondContact O-N 3.37Å |
| 900 | T | 75.3 | Confident | 74.2 | Confident | 83 Ų | 83 | 104.9 Ų | 104.9 | 51% | 0.509 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -71.9 | -35.7 | 178.2 | 47 | 0 | 0 | 0 | 0 | 112.7 | E896 K897 L903 A904 | E896-T900 PolarHBondContact O-N 3.48Å; E896-T900 PolarHBondContact O-OG1 2.94Å; K897-T900 WeakPolarHBondContact CA-OG1 3.41Å; K897-T900 PolarHBondContact O-N 3.39Å; K897-T900 PolarHBondContact O-OG1 2.93Å; T900-L903 PolarHBondContact O-N 2.91Å; T900-A904 WeakPolarHBondContact O-CB 3.47Å; T900-A904 PolarHBondContact O-N 3.08Å |
| 901 | E | 84 | Confident | 72.3 | Confident | 101 Ų | 101 | 109.5 Ų | 109.5 | 47% | 0.472 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.3 | -43.5 | 173.5 | -166.9 | 157.8 | -142 | 0 | 0 | 110.7 | K897 L903 A904 D905 | K897-E901 IonicContact NZ-OE1 3.98Å; K897-E901 PolarHBondContact NZ-OE1 3.19Å; K897-E901 IonicContact NZ-OE2 2.68Å; K897-E901 PolarHBondContact NZ-OE2 3.22Å; K897-E901 WeakPolarHBondContact O-CB 3.45Å; K897-E901 PolarHBondContact O-N 3.46Å; E901-L903 PolarHBondContact O-N 3.33Å; E901-A904 PolarHBondContact O-N 3.48Å; E901-D905 PolarHBondContact O-N 3.27Å |
| 902 | M | 78.8 | Confident | 69.7 | Low | 137 Ų | 137 | 104.9 Ų | 104.9 | 68% | 0.675 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.2 | -35.4 | 174.1 | -165.4 | -177.3 | 78.1 | 0 | 0 | 113.1 | A898 D905 E906 | A898-M902 WeakPolarHBondContact O-CB 3.25Å; A898-M902 PolarHBondContact O-N 3.3Å; M902-D905 PolarHBondContact O-N 2.93Å; M902-E906 PolarHBondContact O-N 2.79Å |
| 903 | L | 69.6 | Low | 67.1 | Low | 99 Ų | 99 | 104.8 Ų | 104.8 | 52% | 0.518 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -72.4 | -34.4 | 176 | -167.7 | 148.4 | 0 | 0 | 0 | 111.9 | T899 T900 E901 E906 L907 | T899-L903 WeakPolarHBondContact O-CB 3.45Å; T899-L903 PolarHBondContact O-N 3.37Å; T900-L903 PolarHBondContact O-N 2.91Å; E901-L903 PolarHBondContact O-N 3.33Å; L903-E906 PolarHBondContact O-N 3.33Å; L903-L907 HydrophobicContact CD2-CD1 3.87Å; L903-L907 HydrophobicContact CD2-CG 4.4Å; L903-L907 WeakPolarHBondContact O-CG 3.46Å; L903-L907 PolarHBondContact O-N 2.92Å |
| 904 | A | 67.7 | Low | 64.9 | Low | 53 Ų | 53 | 105.9 Ų | 105.9 | 44% | 0.438 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65 | -40.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T900 E901 L907 K908 | T900-A904 WeakPolarHBondContact O-CB 3.47Å; T900-A904 PolarHBondContact O-N 3.08Å; E901-A904 PolarHBondContact O-N 3.48Å; A904-L907 PolarHBondContact O-N 3.46Å; A904-K908 VanDerWaalsContact O-CB 3.3Å; A904-K908 WeakPolarHBondContact O-CB 3.49Å; A904-K908 PolarHBondContact O-N 2.94Å |
| 905 | D | 74.9 | Confident | 62.5 | Low | 95 Ų | 95 | 107.4 Ų | 107.4 | 51% | 0.508 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -69.2 | -31.7 | 172.8 | -87.2 | -21 | 0 | 0 | 0 | 112.8 | E901 M902 K908 G909 | E901-D905 PolarHBondContact O-N 3.27Å; M902-D905 PolarHBondContact O-N 2.93Å; D905-K908 PolarHBondContact O-N 2.75Å; D905-G909 PolarHBondContact O-N 3Å |
| 906 | E | 67.4 | Low | 60.1 | Low | 99 Ų | 99 | 107.5 Ų | 107.5 | 46% | 0.463 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.7 | -44.1 | 170.9 | -160.7 | -160.4 | 143.2 | 0 | 0 | 111.3 | M902 L903 K908 G909 R910 | M902-E906 PolarHBondContact O-N 2.79Å; L903-E906 PolarHBondContact O-N 3.33Å; E906-K908 VanDerWaalsContact C-N 3.34Å; E906-K908 PolarHBondContact O-N 2.9Å; E906-G909 PolarHBondContact O-N 2.91Å; E906-R910 WeakPolarHBondContact O-CB 3.44Å; E906-R910 WeakPolarHBondContact O-CG 3.41Å; E906-R910 PolarHBondContact O-N 2.96Å; E906-R910 IonicContact OE1-CZ 3.57Å; E906-R910 IonicContact OE1-NE 2.76Å; E906-R910 PolarHBondContact OE1-NE 3.34Å; E906-R910 IonicContact OE1-NH2 3.76Å; E906-R910 PolarHBondContact OE1-NH2 3.26Å |
| 907 | L | 52.7 | Low | 57.8 | Low | 89 Ų | 89 | 107.2 Ų | 107.2 | 47% | 0.466 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -60.7 | -44.2 | 173.3 | -73.9 | 167.9 | 0 | 0 | 0 | 111.3 | L903 A904 G909 R910 F911 | L903-L907 HydrophobicContact CD2-CD1 3.87Å; L903-L907 HydrophobicContact CD2-CG 4.4Å; L903-L907 WeakPolarHBondContact O-CG 3.46Å; L903-L907 PolarHBondContact O-N 2.92Å; A904-L907 PolarHBondContact O-N 3.46Å; L907-G909 VanDerWaalsContact C-N 3.31Å; L907-G909 PolarHBondContact O-N 3.44Å; L907-R910 PolarHBondContact O-N 2.99Å; L907-F911 VanDerWaalsContact O-CD2 3.28Å; L907-F911 WeakPolarHBondContact O-CD2 3.25Å; L907-F911 PolarHBondContact O-N 3.4Å |
| 908 | K | 44.8 | Very low | 55.7 | Low | 152 Ų | 152 | 106.8 Ų | 106.8 | 66% | 0.661 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.8 | -35.2 | 177.6 | -165.3 | 176.2 | -178.7 | -177.7 | 0 | 112.5 | A904 D905 E906 F911 G912 | A904-K908 VanDerWaalsContact O-CB 3.3Å; A904-K908 WeakPolarHBondContact O-CB 3.49Å; A904-K908 PolarHBondContact O-N 2.94Å; D905-K908 PolarHBondContact O-N 2.75Å; E906-K908 VanDerWaalsContact C-N 3.34Å; E906-K908 PolarHBondContact O-N 2.9Å; K908-F911 CarbonylContact O-C 3.59Å; K908-G912 PolarHBondContact O-N 3.01Å; K908-G912 VanDerWaalsContact O-N 3.16Å |
| 909 | G | 50.6 | Low | 53.5 | Low | 55 Ų | 55 | 111 Ų | 111 | 57% | 0.567 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -70 | -40.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D905 E906 L907 F911 G912 | D905-G909 PolarHBondContact O-N 3Å; E906-G909 PolarHBondContact O-N 2.91Å; L907-G909 VanDerWaalsContact C-N 3.31Å; L907-G909 PolarHBondContact O-N 3.44Å; G909-F911 PolarHBondContact O-N 3.25Å; G909-G912 PolarHBondContact O-N 2.74Å; G909-G912 VanDerWaalsContact O-N 3.08Å |
| 910 | R | 51.4 | Low | 51.5 | Low | 180 Ų | 180 | 112.3 Ų | 112.3 | 68% | 0.679 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64.6 | -24.6 | 174.4 | -74.8 | 175.2 | -179.5 | -121.5 | 8.6 | 113.4 | E906 L907 | E906-R910 WeakPolarHBondContact O-CB 3.44Å; E906-R910 WeakPolarHBondContact O-CG 3.41Å; E906-R910 PolarHBondContact O-N 2.96Å; E906-R910 IonicContact OE1-CZ 3.57Å; E906-R910 IonicContact OE1-NE 2.76Å; E906-R910 PolarHBondContact OE1-NE 3.34Å; E906-R910 IonicContact OE1-NH2 3.76Å; E906-R910 PolarHBondContact OE1-NH2 3.26Å; L907-R910 PolarHBondContact O-N 2.99Å |
| 911 | F | 41 | Very low | 49.8 | Very low | 172 Ų | 172 | 114.1 Ų | 114.1 | 75% | 0.754 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | 25.7 | 172.1 | -65 | -69.8 | 0 | 0 | 0 | 112.9 | L907 K908 G909 T913 | L907-F911 VanDerWaalsContact O-CD2 3.28Å; L907-F911 WeakPolarHBondContact O-CD2 3.25Å; L907-F911 PolarHBondContact O-N 3.4Å; K908-F911 CarbonylContact O-C 3.59Å; G909-F911 PolarHBondContact O-N 3.25Å; F911-T913 PolarHBondContact O-N 2.98Å |
| 912 | G | 33.6 | Very low | 47.7 | Very low | 41 Ų | 41 | 115.1 Ų | 115.1 | 42% | 0.423 | 62% | 0.615 | S | S | . | * | trans | -72.2 | 87.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | K908 G909 T914 | K908-G912 PolarHBondContact O-N 3.01Å; K908-G912 VanDerWaalsContact O-N 3.16Å; G909-G912 PolarHBondContact O-N 2.74Å; G909-G912 VanDerWaalsContact O-N 3.08Å; G912-T914 PolarHBondContact O-N 2.95Å | ||
| 913 | T | 31.3 | Very low | 45.8 | Very low | 124 Ų | 124 | 110.7 Ų | 110.7 | 76% | 0.761 | 60% | 0.595 | S | S | * | * | trans | 45.7 | 67.8 | 156 | 60.1 | 0 | 0 | 0 | 0 | 116.1 | F911 | F911-T913 PolarHBondContact O-N 2.98Š| ||
| 914 | T | 33.2 | Very low | 44.1 | Very low | 119 Ų | 119 | 111.6 Ų | 111.6 | 73% | 0.73 | 60% | 0.596 | S | S | * | * | trans | -96.1 | 104.7 | 150.4 | -41.4 | 0 | 0 | 0 | 0 | 107.3 | G912 I916 | G912-T914 PolarHBondContact O-N 2.95Å; T914-I916 HydrophobicContact CG2-CD1 4.17Å; T914-I916 HydrophobicContact CG2-CG1 3.76Å; T914-I916 PolarHBondContact O-N 3.11Å | ||
| 915 | D | 33.6 | Very low | 42.5 | Very low | 153 Ų | 153 | 118.4 Ų | 118.4 | 82% | 0.818 | 62% | 0.616 | S | S | * | * | trans | -73.1 | 73.3 | 179.5 | -69.2 | -53.7 | 0 | 0 | 0 | 111.3 | N917 | D915-N917 VanDerWaalsContact C-N 3.29Å; D915-N917 PolarHBondContact O-N 3.2Å | ||
| 916 | I | 36 | Very low | 40.7 | Very low | 136 Ų | 136 | 122.2 Ų | 122.2 | 70% | 0.697 | 63% | 0.628 | S | S | * | * | trans | -76.5 | 84.8 | 177.3 | -56.5 | -179.9 | 0 | 0 | 0 | 108.5 | T914 V918 | T914-I916 HydrophobicContact CG2-CD1 4.17Å; T914-I916 HydrophobicContact CG2-CG1 3.76Å; T914-I916 PolarHBondContact O-N 3.11Å; I916-V918 PolarHBondContact O-N 3.36Å | ||
| 917 | N | 33.1 | Very low | 39.2 | Very low | 121 Ų | 121 | 122.6 Ų | 122.6 | 65% | 0.647 | 64% | 0.638 | S | S | * | * | trans | -52.5 | 122.6 | 174.6 | -176.8 | -8.5 | 0 | 0 | 0 | 110.5 | D915 H919 | D915-N917 VanDerWaalsContact C-N 3.29Å; D915-N917 PolarHBondContact O-N 3.2Å; N917-H919 PolarHBondContact O-N 3.1Å; N917-H919 VanDerWaalsContact O-N 3.11Å; N917-H919 PolarHBondContact OD1-ND1 3.15Å | ||
| 918 | V | 43.1 | Very low | 38.2 | Very low | 109 Ų | 109 | 125.6 Ų | 125.6 | 66% | 0.661 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -68.9 | -14.3 | -162.5 | 176.6 | 0 | 0 | 0 | 0 | 113.9 | I916 N920 I921 | I916-V918 PolarHBondContact O-N 3.36Å; V918-N920 PolarHBondContact O-N 3.01Å; V918-I921 PolarHBondContact O-N 2.92Å |
| 919 | H | 39 | Very low | 37.4 | Very low | 143 Ų | 143 | 126.5 Ų | 126.5 | 66% | 0.662 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -61.8 | -11.5 | -171.6 | -78.9 | 85.8 | 0 | 0 | 0 | 116.7 | N917 | N917-H919 PolarHBondContact O-N 3.1Å; N917-H919 VanDerWaalsContact O-N 3.11Å; N917-H919 PolarHBondContact OD1-ND1 3.15Å |
| 920 | N | 39.8 | Very low | 36.3 | Very low | 97 Ų | 97 | 132.3 Ų | 132.3 | 52% | 0.519 | 67% | 0.671 | S | S | . | * | G | 310 helix | trans | -93.9 | -8 | -176.8 | -124.6 | -16.2 | 0 | 0 | 0 | 115.5 | C517 V918 | C517-N920 PolarHBondContact SG-ND2 3.44Å; C517-N920 VanDerWaalsContact SG-ND2 3.39Å; C517-N920 PolarHBondContact SG-OD1 2.98Å; C517-N920 VanDerWaalsContact SG-OD1 3.34Å; V918-N920 PolarHBondContact O-N 3.01Å |
| 921 | I | 40 | Very low | 35.2 | Very low | 122 Ų | 122 | 135 Ų | 135 | 63% | 0.626 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -77.9 | -28.6 | -177.1 | -67 | 177.4 | 0 | 0 | 0 | 112.5 | V918 N923 | V918-I921 PolarHBondContact O-N 2.92Å; I921-N923 PolarHBondContact O-N 2.9Å |
| 922 | N | 39.4 | Very low | 34.7 | Very low | 121 Ų | 121 | 131.5 Ų | 131.5 | 65% | 0.647 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -65 | -22.3 | -179.9 | -79.6 | -0.1 | 0 | 0 | 0 | 113.9 | ||
| 923 | N | 38.8 | Very low | 34.6 | Very low | 45 Ų | 45 | 136.2 Ų | 136.2 | 24% | 0.241 | 70% | 0.701 | C | S | . | * | H | α-helix | trans | -94 | -27.5 | -172.6 | -78.3 | -53.9 | 0 | 0 | 0 | 115.2 | N515 I921 F925 K926 | N515-N923 VanDerWaalsContact CG-ND2 3.26Å; N515-N923 PolarHBondContact ND2-ND2 3.33Å; N515-N923 PolarHBondContact OD1-ND2 2.85Å; I921-N923 PolarHBondContact O-N 2.9Å; N923-F925 VanDerWaalsContact C-N 3.34Å; N923-F925 PolarHBondContact O-N 3.2Å; N923-K926 PolarHBondContact O-N 2.72Å |
| 924 | E | 35.4 | Very low | 34.4 | Very low | 117 Ų | 117 | 134.6 Ų | 134.6 | 55% | 0.547 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -75.5 | -19.8 | -176.4 | -137.5 | -161.2 | 147.2 | 0 | 0 | 114 | K926 K928 | E924-K926 VanDerWaalsContact C-N 3.33Å; E924-K928 IonicContact OE1-NZ 2.62Å; E924-K928 PolarHBondContact OE1-NZ 3.36Å |
| 925 | F | 33.3 | Very low | 34 | Very low | 196 Ų | 196 | 140 Ų | 140 | 86% | 0.86 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -12.2 | 173.6 | -96.9 | -74.7 | 0 | 0 | 0 | 114.4 | N923 T927 | N923-F925 VanDerWaalsContact C-N 3.34Å; N923-F925 PolarHBondContact O-N 3.2Å; F925-T927 VanDerWaalsContact C-N 3.34Å |
| 926 | K | 36.9 | Very low | 34.4 | Very low | 175 Ų | 175 | 138.8 Ų | 138.8 | 76% | 0.761 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -12.6 | 173 | -107.7 | 173.8 | -179 | 168.9 | 0 | 113.4 | N923 E924 | N923-K926 PolarHBondContact O-N 2.72Å; E924-K926 VanDerWaalsContact C-N 3.33Å |
| 927 | T | 36.4 | Very low | 34 | Very low | 108 Ų | 108 | 140.4 Ų | 140.4 | 66% | 0.663 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -128.3 | 25.7 | -166.3 | 52 | 0 | 0 | 0 | 0 | 115.4 | F925 | F925-T927 VanDerWaalsContact C-N 3.34Š|
| 928 | K | 30.6 | Very low | 33.8 | Very low | 152 Ų | 152 | 138 Ų | 138 | 66% | 0.661 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -133.6 | 29 | 178.5 | -111.8 | 165.6 | -168.8 | 162.5 | 0 | 116.8 | E924 | E924-K928 IonicContact OE1-NZ 2.62Å; E924-K928 PolarHBondContact OE1-NZ 3.36Å |
| 929 | N | 29 | Very low | 33.1 | Very low | 170 Ų | 170 | 139.3 Ų | 139.3 | 91% | 0.909 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -134.4 | 38.2 | 170.6 | -108.2 | -25.7 | 0 | 0 | 0 | 113.4 | ||
| 930 | Q | 26.7 | Very low | 32.6 | Very low | 177 Ų | 177 | 139.5 Ų | 139.5 | 83% | 0.827 | 72% | 0.724 | S | S | * | * | trans | -123.3 | 104.8 | 166.8 | -69.5 | -172.2 | 6.7 | 0 | 0 | 110 | ||||
| 931 | Y | 28.2 | Very low | 32.1 | Very low | 237 Ų | 237 | 138.1 Ų | 138.1 | 93% | 0.929 | 73% | 0.732 | S | S | * | * | trans | 176.2 | 151.7 | 139.6 | -96.8 | -62.8 | 0 | 0 | 0 | 109.2 | ||||
| 932 | A | 32 | Very low | 31.6 | Very low | 99 Ų | 99 | 138.9 Ų | 138.9 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 74.1 | 62.6 | -168 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 933 | D | 30 | Very low | 31.2 | Very low | 140 Ų | 140 | 140.3 Ų | 140.3 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | 94.6 | 86.3 | 61.3 | -166.2 | 26.9 | 0 | 0 | 0 | 114.6 | |||||
| 934 | S | 28 | Very low | 30.7 | Very low | 89 Ų | 89 | 145 Ų | 145 | 62% | 0.622 | 77% | 0.77 | S | S | * | * | trans | 48.3 | 137 | 133.4 | -32.5 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 935 | R | 25.3 | Very low | 30.5 | Very low | 234 Ų | 234 | 147 Ų | 147 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | trans | 97.7 | 146.5 | 147.8 | -60.7 | 165 | -168.3 | -137.8 | -0.3 | 118.5 | ||||
| 936 | P | 41.9 | Very low | 30.2 | Very low | 127 Ų | 127 | 146.6 Ų | 146.6 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | cis | -132.5 | 170.6 | -23.9 | 35.7 | -17.9 | 0 | 0 | 0 | 115.7 | ||||
| 937 | I | 27 | Very low | 29.7 | Very low | 169 Ų | 169 | 142.4 Ų | 142.4 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | trans | -64.2 | 147.4 | -176.8 | -64.5 | 152.6 | 0 | 0 | 0 | 114.3 | ||||
| 938 | G | 29.7 | Very low | 29.4 | Very low | 70 Ų | 70 | 144 Ų | 144 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | trans | 177.9 | 96.7 | 160.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 939 | N | 28.2 | Very low | 29.3 | Very low | 137 Ų | 137 | 147 Ų | 147 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | 67.4 | 102.8 | 61.1 | -153.9 | 89.6 | 0 | 0 | 0 | 113.1 | |||||
| 940 | D | 27.8 | Very low | 29.4 | Very low | 148 Ų | 148 | 146.8 Ų | 146.8 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | 172.1 | 154.4 | 132.9 | -89.5 | -5.8 | 0 | 0 | 0 | 112.6 | ||||
| 941 | G | 29.2 | Very low | 29.4 | Very low | 67 Ų | 67 | 141 Ų | 141 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | trans | 47.4 | 100.9 | 160.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 942 | N | 30 | Very low | 29.3 | Very low | 139 Ų | 139 | 136.8 Ų | 136.8 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | 32.6 | 101.2 | 56.4 | -170.5 | 15.9 | 0 | 0 | 0 | 114.1 | |||||
| 943 | N | 30.5 | Very low | 29.1 | Very low | 150 Ų | 150 | 140.3 Ų | 140.3 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | trans | -158.6 | 108.1 | 147.9 | -106.4 | -39.7 | 0 | 0 | 0 | 110.2 | ||||
| 944 | N | 27.6 | Very low | 29 | Very low | 143 Ų | 143 | 139.5 Ų | 139.5 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | trans | -62.8 | 135.6 | 161.6 | -65.8 | -50.1 | 0 | 0 | 0 | 108.9 | ||||
| 945 | N | 31.4 | Very low | 28.9 | Very low | 160 Ų | 160 | 141 Ų | 141 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | trans | -134.7 | 115 | 152.7 | -95.7 | -54.1 | 0 | 0 | 0 | 109.6 | ||||
| 946 | Q | 27.2 | Very low | 29.1 | Very low | 188 Ų | 188 | 137 Ų | 137 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | trans | -85.9 | -178.3 | -179.7 | -163 | 170.8 | 8.7 | 0 | 0 | 109.2 | ||||
| 947 | A | 27.9 | Very low | 29.1 | Very low | 86 Ų | 86 | 136.1 Ų | 136.1 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | trans | 86.3 | 136.8 | 179 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 948 | D | 28.7 | Very low | 29.1 | Very low | 141 Ų | 141 | 133.6 Ų | 133.6 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | cis | -151.3 | 171.8 | -9.5 | -134 | -40.7 | 0 | 0 | 0 | 114.5 | ||||
| 949 | R | 28.7 | Very low | 29 | Very low | 217 Ų | 217 | 134.7 Ų | 134.7 | 82% | 0.819 | 78% | 0.775 | S | S | * | * | trans | -64.2 | 140.3 | 177.4 | -63.9 | 160.3 | 165.1 | 164.2 | -5.6 | 112.3 | ||||
| 950 | N | 30.6 | Very low | 28.8 | Very low | 165 Ų | 165 | 136.8 Ų | 136.8 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | -179.1 | 142.5 | 120.8 | -85.8 | -35.3 | 0 | 0 | 0 | 108.9 | |||||
| 951 | G | 27.6 | Very low | 28.7 | Very low | 56 Ų | 56 | 133.9 Ų | 133.9 | 58% | 0.577 | 78% | 0.782 | S | S | * | * | cis | 130.2 | 109.2 | 2.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 952 | N | 26.9 | Very low | 28.5 | Very low | 148 Ų | 148 | 135 Ų | 135 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | 109.9 | 108.2 | -179.7 | -60 | -27.4 | 0 | 0 | 0 | 113.3 | ||||
| 953 | H | 26.2 | Very low | 28.3 | Very low | 173 Ų | 173 | 136 Ų | 136 | 80% | 0.801 | 78% | 0.784 | S | S | * | * | 78.6 | 92.2 | 58.2 | -64.7 | -47.4 | 0 | 0 | 0 | 114.3 | |||||
| 954 | S | 28.2 | Very low | 28 | Very low | 122 Ų | 122 | 132 Ų | 132 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | trans | -167 | 105.4 | 132.9 | 10.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 955 | S | 26 | Very low | 27.9 | Very low | 120 Ų | 120 | 130.4 Ų | 130.4 | 84% | 0.839 | 76% | 0.759 | S | S | * | * | trans | 7.4 | 128.9 | 154.2 | -46 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 956 | E | 29.9 | Very low | 27.7 | Very low | 150 Ų | 150 | 130.5 Ų | 130.5 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | -6.1 | 161.7 | 122.7 | -85.5 | -168.9 | 141.1 | 0 | 0 | 119.5 | |||||
| 957 | P | 41.5 | Very low | 27.6 | Very low | 109 Ų | 109 | 127.7 Ų | 127.7 | 71% | 0.708 | 74% | 0.743 | S | S | * | * | cis | -134.4 | 168 | 16.4 | 37.5 | -19.8 | 0 | 0 | 0 | 117.2 | ||||
| 958 | S | 28.2 | Very low | 27.4 | Very low | 116 Ų | 116 | 134.7 Ų | 134.7 | 81% | 0.811 | 75% | 0.753 | S | S | * | * | trans | -64.7 | 140.1 | 159.8 | -49.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 959 | A | 26 | Very low | 27.1 | Very low | 94 Ų | 94 | 138.8 Ų | 138.8 | 78% | 0.777 | 76% | 0.758 | S | S | * | * | trans | -137.2 | 49 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A961 | A959-A961 PolarHBondContact O-N 3.04Š| ||
| 960 | L | 24.9 | Very low | 26.8 | Very low | 181 Ų | 181 | 134.3 Ų | 134.3 | 95% | 0.948 | 76% | 0.755 | S | S | * | * | trans | -71 | 108.4 | 162.5 | -74.5 | 172.4 | 0 | 0 | 0 | 108.6 | ||||
| 961 | A | 25.8 | Very low | 26.6 | Very low | 86 Ų | 86 | 129.9 Ų | 129.9 | 71% | 0.711 | 73% | 0.734 | S | S | * | * | trans | -137.4 | 91.2 | -179 | 0 | 0 | 0 | 0 | 0 | 112.2 | A959 | A959-A961 PolarHBondContact O-N 3.04Š| ||
| 962 | S | 24.9 | Very low | 26.4 | Very low | 92 Ų | 92 | 133 Ų | 133 | 64% | 0.643 | 74% | 0.741 | S | S | * | * | trans | 55.2 | 104.1 | 147.6 | -57.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 963 | L | 26 | Very low | 26.4 | Very low | 158 Ų | 158 | 130 Ų | 130 | 83% | 0.827 | 74% | 0.737 | S | S | * | * | trans | -48.6 | 133.4 | 144.9 | -69.5 | 160.3 | 0 | 0 | 0 | 111.4 | K435 | K435-L963 WeakPolarHBondContact CE-O 3.34Å; K435-L963 PolarHBondContact NZ-O 2.88Å | ||
| 964 | S | 24 | Very low | 26.3 | Very low | 66 Ų | 66 | 127.6 Ų | 127.6 | 46% | 0.462 | 74% | 0.735 | S | S | . | * | 170 | 140.1 | 124.8 | 58.6 | 0 | 0 | 0 | 0 | 114.5 | K435 | K435-S964 PolarHBondContact NZ-OG 3.26Š| |||
| 965 | N | 26.1 | Very low | 26.3 | Very low | 110 Ų | 110 | 128 Ų | 128 | 59% | 0.588 | 73% | 0.733 | S | S | * | * | trans | 61.7 | 138.9 | 137.8 | -59.4 | -0.6 | 0 | 0 | 0 | 118.8 | ||||
| 966 | F | 26.6 | Very low | 26.1 | Very low | 162 Ų | 162 | 130.5 Ų | 130.5 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | cis | -164.4 | 156.3 | 9.1 | -125.8 | -44.5 | 0 | 0 | 0 | 110.6 | ||||
| 967 | N | 24.4 | Very low | 25.9 | Very low | 130 Ų | 130 | 132.4 Ų | 132.4 | 70% | 0.695 | 74% | 0.742 | S | S | * | * | trans | 53.5 | 122.3 | 149.3 | -69.4 | -20.8 | 0 | 0 | 0 | 122.6 | ||||
| 968 | Y | 23.3 | Very low | 25 | Very low | 233 Ų | 233 | 133.3 Ų | 133.3 | 91% | 0.914 | 74% | 0.741 | S | S | * | * | trans | -34 | 138.4 | 155.4 | -62.8 | -94 | 0 | 0 | 0 | 116.2 | ||||
| 969 | R | 23.5 | Very low | 24.8 | Very low | 226 Ų | 226 | 132.5 Ų | 132.5 | 85% | 0.853 | 73% | 0.731 | S | S | * | * | trans | -145.4 | 117.7 | 148.2 | -167 | 178.2 | -172 | -168 | 1.7 | 111.2 | ||||
| 970 | T | 23.3 | Very low | 24.6 | Very low | 124 Ų | 124 | 134 Ų | 134 | 76% | 0.761 | 73% | 0.726 | S | S | * | * | trans | -83.4 | 135.2 | 172 | 15.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 971 | T | 24.8 | Very low | 24.5 | Very low | 72 Ų | 72 | 130.5 Ų | 130.5 | 44% | 0.442 | 71% | 0.708 | S | S | . | * | trans | -144.8 | 133.6 | 169.5 | 30.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 972 | T | 24.6 | Very low | 24.5 | Very low | 120 Ų | 120 | 135 Ų | 135 | 74% | 0.736 | 71% | 0.708 | S | S | * | * | trans | -108.8 | 130.2 | -173.4 | 47.3 | 0 | 0 | 0 | 0 | 112.9 | L1098 | T972-L1098 HydrophobicContact CG2-CD1 3.81Š| ||
| 973 | A | 25.7 | Very low | 24.6 | Very low | 85 Ų | 85 | 138 Ų | 138 | 70% | 0.702 | 71% | 0.711 | S | S | * | * | trans | -150 | 133.2 | 156.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 974 | T | 25.3 | Very low | 24.6 | Very low | 123 Ų | 123 | 137.4 Ų | 137.4 | 76% | 0.755 | 71% | 0.709 | S | S | * | * | cis | 87.6 | 89.3 | 36 | -55.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 975 | T | 26.8 | Very low | 25.6 | Very low | 132 Ų | 132 | 139.1 Ų | 139.1 | 81% | 0.81 | 72% | 0.718 | S | S | * | * | trans | -167.8 | 103.3 | 152.8 | -71.4 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 976 | Q | 22.7 | Very low | 25.4 | Very low | 171 Ų | 171 | 139 Ų | 139 | 80% | 0.799 | 73% | 0.726 | S | S | * | * | 59.4 | 87.9 | 81.3 | -76 | -164.3 | -11.1 | 0 | 0 | 116.7 | |||||
| 977 | M | 25.4 | Very low | 25.6 | Very low | 190 Ų | 190 | 138.1 Ų | 138.1 | 94% | 0.936 | 73% | 0.734 | S | S | * | * | trans | -142.8 | 102.9 | 135.3 | -67.6 | -168.1 | -178.8 | 0 | 0 | 105.6 | ||||
| 978 | N | 23 | Very low | 25.4 | Very low | 128 Ų | 128 | 136.5 Ų | 136.5 | 68% | 0.684 | 73% | 0.733 | S | S | * | * | cis | 76 | 120.3 | 49.2 | -154.6 | 64.7 | 0 | 0 | 0 | 112.7 | ||||
| 979 | T | 22.8 | Very low | 25.6 | Very low | 99 Ų | 99 | 136 Ų | 136 | 61% | 0.607 | 73% | 0.731 | S | S | * | * | trans | 64.2 | 139.2 | 155.5 | 52.5 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 980 | D | 22.7 | Very low | 25.6 | Very low | 125 Ų | 125 | 130.8 Ų | 130.8 | 67% | 0.668 | 72% | 0.724 | S | S | * | * | cis | -162.9 | 153.9 | 5.2 | -110.6 | -15.7 | 0 | 0 | 0 | 116.4 | ||||
| 981 | I | 23.9 | Very low | 25.6 | Very low | 108 Ų | 108 | 133.1 Ų | 133.1 | 55% | 0.554 | 73% | 0.726 | S | S | * | * | trans | 42.2 | 125.9 | 140.2 | -42.5 | 153.7 | 0 | 0 | 0 | 118.9 | ||||
| 982 | Y | 25.5 | Very low | 25.7 | Very low | 182 Ų | 182 | 137.5 Ų | 137.5 | 71% | 0.714 | 74% | 0.739 | S | S | * | * | -173.6 | 130.3 | 91 | -100 | -68.7 | 0 | 0 | 0 | 116.5 | |||||
| 983 | Q | 25.8 | Very low | 26 | Very low | 153 Ų | 153 | 140.4 Ų | 140.4 | 72% | 0.715 | 74% | 0.742 | S | S | * | * | trans | 56.7 | 143.6 | 140.9 | -81.1 | 163.6 | -0.4 | 0 | 0 | 122.4 | ||||
| 984 | N | 26.7 | Very low | 26.7 | Very low | 147 Ų | 147 | 141.4 Ų | 141.4 | 79% | 0.786 | 74% | 0.741 | S | S | * | * | cis | -160.7 | 174.6 | -17.1 | -123.3 | 18.3 | 0 | 0 | 0 | 111 | ||||
| 985 | P | 44.8 | Very low | 26.9 | Very low | 101 Ų | 101 | 142.2 Ų | 142.2 | 66% | 0.656 | 75% | 0.747 | S | S | * | * | trans | -117 | -176 | -153.6 | 44.7 | -39.8 | 0 | 0 | 0 | 118.1 | ||||
| 986 | S | 22.4 | Very low | 26.8 | Very low | 108 Ų | 108 | 140.6 Ų | 140.6 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | trans | 87.9 | 119.3 | 142 | 72.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 987 | V | 29.4 | Very low | 26.9 | Very low | 143 Ų | 143 | 143.5 Ų | 143.5 | 87% | 0.867 | 74% | 0.742 | S | S | * | * | trans | -142.3 | 145.5 | 137 | -178.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 988 | S | 21.2 | Very low | 26.9 | Very low | 97 Ų | 97 | 139.5 Ų | 139.5 | 68% | 0.678 | 73% | 0.728 | S | S | * | * | trans | -122.9 | 155.1 | 179.8 | 54.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 989 | Y | 27.3 | Very low | 27 | Very low | 223 Ų | 223 | 140.7 Ų | 140.7 | 88% | 0.875 | 73% | 0.734 | S | S | * | * | trans | -150.6 | 157.5 | 158.8 | -101.3 | -71.3 | 0 | 0 | 0 | 111.2 | ||||
| 990 | T | 24.6 | Very low | 27.2 | Very low | 116 Ų | 116 | 142 Ų | 142 | 71% | 0.712 | 74% | 0.742 | S | S | * | * | trans | -140.3 | 142.9 | -152.5 | 42.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 991 | Q | 23.2 | Very low | 28 | Very low | 172 Ų | 172 | 141.1 Ų | 141.1 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | trans | 54 | 123.6 | 133.9 | -172 | -172.1 | 54.8 | 0 | 0 | 120.6 | ||||
| 992 | K | 27 | Very low | 28.3 | Very low | 164 Ų | 164 | 145.1 Ų | 145.1 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | trans | 167.3 | 151.8 | 142.9 | -93.1 | 151.2 | -170.5 | 170.7 | 0 | 109.9 | ||||
| 993 | F | 29.4 | Very low | 29.1 | Very low | 182 Ų | 182 | 141.2 Ų | 141.2 | 80% | 0.798 | 76% | 0.756 | S | S | * | * | cis | -139.7 | 165.8 | -1.5 | -94.2 | -66.7 | 0 | 0 | 0 | 110 | ||||
| 994 | P | 41.9 | Very low | 29.1 | Very low | 105 Ų | 105 | 139.1 Ų | 139.1 | 68% | 0.682 | 76% | 0.758 | S | S | * | * | trans | -106.7 | 169.6 | 175.5 | 40.5 | -31.8 | 0 | 0 | 0 | 113.8 | ||||
| 995 | T | 28.9 | Very low | 29.2 | Very low | 141 Ų | 141 | 143.3 Ų | 143.3 | 87% | 0.865 | 76% | 0.764 | S | S | * | * | trans | -135.4 | 144.3 | 155.9 | -51.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 996 | T | 24 | Very low | 28.3 | Very low | 97 Ų | 97 | 146 Ų | 146 | 60% | 0.595 | 77% | 0.773 | S | S | * | * | trans | -121.1 | 143.5 | -169.1 | -59.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 997 | Y | 24.9 | Very low | 28.4 | Very low | 232 Ų | 232 | 143.8 Ų | 143.8 | 91% | 0.91 | 77% | 0.766 | S | S | * | * | trans | -140.7 | 158.4 | 151.2 | -84.1 | -70.2 | 0 | 0 | 0 | 110.3 | ||||
| 998 | T | 25.4 | Very low | 28.3 | Very low | 107 Ų | 107 | 148.8 Ų | 148.8 | 66% | 0.656 | 77% | 0.771 | S | S | * | * | trans | -150.6 | 171.6 | -157.1 | -36.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 999 | L | 24.3 | Very low | 28.4 | Very low | 152 Ų | 152 | 150.8 Ų | 150.8 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | trans | 81.4 | 145.5 | 174.2 | -53.5 | 126 | 0 | 0 | 0 | 113.8 | ||||
| 1000 | T | 27.6 | Very low | 28.3 | Very low | 128 Ų | 128 | 144.9 Ų | 144.9 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | cis | -152 | 161.2 | 7.4 | -9.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1001 | P | 40.2 | Very low | 28.3 | Very low | 106 Ų | 106 | 150.6 Ų | 150.6 | 69% | 0.688 | 77% | 0.77 | S | S | * | * | trans | -117.5 | 163 | -170.7 | 41 | -30.2 | 0 | 0 | 0 | 116.3 | ||||
| 1002 | H | 30.9 | Very low | 28.4 | Very low | 192 Ų | 192 | 150.8 Ų | 150.8 | 89% | 0.889 | 78% | 0.776 | S | S | * | * | trans | -171.3 | 170.6 | 147.9 | -104.5 | -64.2 | 0 | 0 | 0 | 110.5 | ||||
| 1003 | P | 41.8 | Very low | 28.2 | Very low | 100 Ų | 100 | 151.6 Ų | 151.6 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | trans | -137.8 | 171.5 | -133.9 | 41.3 | -20.6 | 0 | 0 | 0 | 118.8 | ||||
| 1004 | S | 25.7 | Very low | 27.9 | Very low | 108 Ų | 108 | 146.8 Ų | 146.8 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | 43.9 | 121.3 | 144.6 | -59 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1005 | Y | 28.1 | Very low | 27.1 | Very low | 236 Ų | 236 | 147.9 Ų | 147.9 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | trans | -144.4 | 145.9 | 139.4 | -123.1 | -91 | 0 | 0 | 0 | 111 | ||||
| 1006 | L | 26.5 | Very low | 26.9 | Very low | 158 Ų | 158 | 148.6 Ų | 148.6 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | -88.5 | 156.6 | 168.1 | -62.6 | 86.9 | 0 | 0 | 0 | 107.9 | ||||
| 1007 | G | 24.3 | Very low | 27 | Very low | 60 Ų | 60 | 153 Ų | 153 | 62% | 0.619 | 80% | 0.799 | S | S | * | * | cis | 102.4 | 114.1 | 23.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1008 | Y | 27 | Very low | 27 | Very low | 248 Ų | 248 | 148.9 Ų | 148.9 | 97% | 0.973 | 79% | 0.793 | S | S | * | * | trans | -160.4 | 166.3 | 165.5 | -96.6 | -59.9 | 0 | 0 | 0 | 111.5 | ||||
| 1009 | D | 24.2 | Very low | 28.2 | Very low | 140 Ų | 140 | 149.4 Ų | 149.4 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | trans | -135.7 | 168.7 | -162.2 | -176.3 | 23 | 0 | 0 | 0 | 112 | ||||
| 1010 | T | 25.3 | Very low | 28.3 | Very low | 99 Ų | 99 | 150.8 Ų | 150.8 | 61% | 0.607 | 80% | 0.802 | S | S | * | * | trans | 74.9 | 119.3 | 166.9 | 67.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1011 | R | 23.1 | Very low | 28.2 | Very low | 235 Ų | 235 | 149.2 Ų | 149.2 | 89% | 0.887 | 80% | 0.802 | S | S | * | * | 43 | 120.7 | 129.5 | -56.8 | 174.5 | 177.9 | -175.4 | -1.5 | 119 | |||||
| 1012 | L | 26.6 | Very low | 28 | Very low | 177 Ų | 177 | 152 Ų | 152 | 93% | 0.927 | 81% | 0.809 | S | S | * | * | -152.5 | 162.9 | 126.1 | -115 | 169.5 | 0 | 0 | 0 | 112.4 | |||||
| 1013 | H | 22.3 | Very low | 27.8 | Very low | 181 Ų | 181 | 152.6 Ų | 152.6 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | trans | -81.2 | 159 | -167.3 | -106.4 | -114.2 | 0 | 0 | 0 | 114.5 | ||||
| 1014 | A | 22.8 | Very low | 27.3 | Very low | 81 Ų | 81 | 156.2 Ų | 156.2 | 67% | 0.669 | 81% | 0.812 | S | S | * | * | trans | -38.1 | 150.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1015 | S | 26 | Very low | 27.8 | Very low | 127 Ų | 127 | 158.1 Ų | 158.1 | 89% | 0.888 | 82% | 0.819 | S | S | * | * | trans | -145.2 | 140.3 | 135 | -79.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1016 | I | 23.2 | Very low | 27.6 | Very low | 157 Ų | 157 | 150.5 Ų | 150.5 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | trans | -93.7 | 124.8 | -173.7 | -64.5 | 167.8 | 0 | 0 | 0 | 109.1 | ||||
| 1017 | M | 25.9 | Very low | 27.8 | Very low | 188 Ų | 188 | 152.9 Ų | 152.9 | 93% | 0.926 | 82% | 0.82 | S | S | * | * | trans | -150.9 | 108.1 | 163 | -122 | 177.5 | 160.3 | 0 | 0 | 111.7 | ||||
| 1018 | N | 26.1 | Very low | 27.9 | Very low | 147 Ų | 147 | 155.3 Ų | 155.3 | 79% | 0.786 | 83% | 0.827 | S | S | * | * | trans | -87.4 | 170.1 | 165.8 | -83.2 | -31.7 | 0 | 0 | 0 | 109.7 | ||||
| 1019 | P | 49.7 | Very low | 28 | Very low | 117 Ų | 117 | 151 Ų | 151 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | cis | -131.1 | 170 | -34.5 | 36.1 | -21.4 | 0 | 0 | 0 | 111.9 | ||||
| 1020 | M | 26.1 | Very low | 28 | Very low | 181 Ų | 181 | 151.9 Ų | 151.9 | 89% | 0.892 | 82% | 0.818 | S | S | * | * | trans | -129.4 | 137.8 | 163.7 | -80.4 | -176.4 | 65.6 | 0 | 0 | 111.3 | ||||
| 1021 | A | 26.9 | Very low | 28 | Very low | 95 Ų | 95 | 154 Ų | 154 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | trans | -123.2 | 137.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1022 | I | 34.5 | Very low | 28 | Very low | 164 Ų | 164 | 146.3 Ų | 146.3 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | trans | -157.8 | 152.4 | 165.3 | -99.2 | 144.4 | 0 | 0 | 0 | 107.2 | ||||
| 1023 | R | 27.9 | Very low | 28.1 | Very low | 206 Ų | 206 | 143.3 Ų | 143.3 | 78% | 0.777 | 78% | 0.779 | S | S | * | * | trans | -112.9 | 154 | -173.9 | -87.3 | -174.3 | 170.7 | -172 | 0.1 | 113 | ||||
| 1024 | Q | 30.2 | Very low | 28.2 | Very low | 175 Ų | 175 | 137.3 Ų | 137.3 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | 58.1 | 118.1 | 150.1 | -76.3 | -179.9 | -33.2 | 0 | 0 | 120.5 | ||||
| 1025 | T | 36.4 | Very low | 28.4 | Very low | 148 Ų | 148 | 138 Ų | 138 | 91% | 0.908 | 76% | 0.762 | S | S | * | * | trans | -134.5 | 145.7 | 134.1 | 51 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1026 | G | 25.3 | Very low | 28.2 | Very low | 76 Ų | 76 | 137 Ų | 137 | 78% | 0.784 | 75% | 0.745 | S | S | * | * | trans | -161 | 151.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1027 | Q | 30.8 | Very low | 28.6 | Very low | 208 Ų | 208 | 134.7 Ų | 134.7 | 97% | 0.972 | 73% | 0.733 | S | S | * | * | trans | -154.9 | 158.7 | 173.7 | -108.1 | 171.7 | 23.9 | 0 | 0 | 109.9 | ||||
| 1028 | S | 26.4 | Very low | 28.6 | Very low | 112 Ų | 112 | 128.5 Ų | 128.5 | 78% | 0.783 | 71% | 0.708 | S | S | * | * | trans | -131.8 | 151.7 | -170.1 | 57.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1029 | K | 27.7 | Very low | 29 | Very low | 156 Ų | 156 | 125.3 Ų | 125.3 | 68% | 0.678 | 69% | 0.691 | S | S | * | * | trans | -161.4 | 147.1 | 146.6 | -109.6 | 164.2 | -165 | -162.4 | 0 | 111.4 | F1158 H1159 | K1029-F1158 WeakPolarHBondContact CE-O 3.31Å; K1029-F1158 PolarHBondContact NZ-O 2.88Å; K1029-H1159 WeakPolarHBondContact CE-O 3.48Å; K1029-H1159 PolarHBondContact NZ-O 3.39Å | ||
| 1030 | L | 24.8 | Very low | 28 | Very low | 160 Ų | 160 | 122.4 Ų | 122.4 | 84% | 0.838 | 67% | 0.672 | S | S | * | * | trans | -82.6 | 155.5 | 176.7 | -66.9 | 144.7 | 0 | 0 | 0 | 110.2 | ||||
| 1031 | Y | 24.7 | Very low | 27.8 | Very low | 142 Ų | 142 | 115.5 Ų | 115.5 | 56% | 0.557 | 64% | 0.636 | S | S | * | * | -144.8 | 150.6 | 122.2 | -116.2 | -80.4 | 0 | 0 | 0 | 111.2 | N1161 | Y1031-N1161 VanDerWaalsContact CD2-O 3.3Å; Y1031-N1161 WeakPolarHBondContact CD2-O 3.37Å; Y1031-N1161 WeakPolarHBondContact CE2-O 3.4Å; Y1031-N1161 PolarHBondContact OH-N 3.5Å | |||
| 1032 | S | 24.5 | Very low | 27.8 | Very low | 75 Ų | 75 | 119 Ų | 119 | 52% | 0.524 | 63% | 0.63 | S | S | . | * | trans | -79.7 | 151.7 | 175.9 | 54.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 1033 | Q | 27.6 | Very low | 27.3 | Very low | 113 Ų | 113 | 112.7 Ų | 112.7 | 53% | 0.528 | 60% | 0.599 | S | S | . | * | -158.6 | 77.6 | 109.9 | -146.3 | 63.5 | -5.6 | 0 | 0 | 112.7 | V1035 | Q1033-V1035 HydrophobicContact CG-CG2 4.13Å; Q1033-V1035 PolarHBondContact O-N 2.99Å | |||
| 1034 | G | 23.9 | Very low | 26.9 | Very low | 55 Ų | 55 | 105.9 Ų | 105.9 | 57% | 0.567 | 58% | 0.583 | S | S | * | * | trans | -75.2 | 104.5 | 150.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | I1036 | G1034-I1036 WeakPolarHBondContact O-CD1 3.37Å; G1034-I1036 WeakPolarHBondContact O-CG1 3.4Å | ||
| 1035 | V | 27.6 | Very low | 26.6 | Very low | 96 Ų | 96 | 102.9 Ų | 102.9 | 58% | 0.582 | 57% | 0.572 | S | S | * | * | trans | -117.1 | 80.9 | 151.1 | 175.5 | 0 | 0 | 0 | 0 | 104 | Q1033 | Q1033-V1035 HydrophobicContact CG-CG2 4.13Å; Q1033-V1035 PolarHBondContact O-N 2.99Å | ||
| 1036 | I | 21.8 | Very low | 26.2 | Very low | 106 Ų | 106 | 104.1 Ų | 104.1 | 54% | 0.544 | 57% | 0.568 | S | S | . | * | 53.6 | 90.4 | 73 | -56.8 | 174.5 | 0 | 0 | 0 | 108.7 | G1034 | G1034-I1036 WeakPolarHBondContact O-CD1 3.37Å; G1034-I1036 WeakPolarHBondContact O-CG1 3.4Å | |||
| 1037 | I | 32.7 | Very low | 26.2 | Very low | 108 Ų | 108 | 107.1 Ų | 107.1 | 55% | 0.554 | 57% | 0.565 | S | S | * | * | 35.9 | 96.7 | 118.8 | -52.3 | 166.1 | 0 | 0 | 0 | 113 | M37 N1039 | M37-I1037 HydrophobicContact SD-CG2 3.89Å; I1037-N1039 HydrophobicContact CG2-CB 3.53Å | |||
| 1038 | P | 25.7 | Very low | 25.9 | Very low | 59 Ų | 59 | 102.8 Ų | 102.8 | 38% | 0.383 | 55% | 0.553 | S | S | . | * | trans | -103.2 | 93.3 | 153.2 | 41.1 | -31.7 | 0 | 0 | 0 | 105.7 | V30 M33 | V30-P1038 HydrophobicContact CB-CB 4.44Å; V30-P1038 HydrophobicContact CG1-CB 4.19Å; V30-P1038 HydrophobicContact CG2-CB 4.21Å; M33-P1038 VanDerWaalsContact CB-C 3.42Å; M33-P1038 VanDerWaalsContact CB-CA 3.42Å; M33-P1038 HydrophobicContact CB-CB 3.65Å; M33-P1038 HydrophobicContact CE-CB 4.46Å; M33-P1038 WeakPolarHBondContact CE-O 3.37Å; M33-P1038 VanDerWaalsContact CG-C 3.49Å; M33-P1038 HydrophobicContact CG-CB 3.96Å; M33-P1038 HydrophobicContact SD-CB 3.48Å; M33-P1038 WeakPolarHBondContact SD-CB 3.46Å; M33-P1038 HydrophobicContact SD-CG 4.17Å | ||
| 1039 | N | 33.5 | Very low | 25.9 | Very low | 80 Ų | 80 | 103.8 Ų | 103.8 | 43% | 0.428 | 55% | 0.548 | S | S | . | . | trans | -110.2 | 119.4 | -179.7 | 158 | 55.5 | 0 | 0 | 0 | 109.8 | M37 I1037 | M37-N1039 HydrophobicContact CG-CB 4.16Å; M37-N1039 WeakPolarHBondContact CG-O 3.39Å; M37-N1039 HydrophobicContact SD-CB 3.92Å; I1037-N1039 HydrophobicContact CG2-CB 3.53Å | ||
| 1040 | P | 29.1 | Very low | 25.7 | Very low | 56 Ų | 56 | 103.8 Ų | 103.8 | 36% | 0.364 | 55% | 0.549 | S | S | . | . | trans | -121 | 148.2 | 177.8 | 38.7 | -25.4 | 0 | 0 | 0 | 113.6 | M33 S36 | M33-P1040 HydrophobicContact CB-CB 4.34Å; M33-P1040 HydrophobicContact CE-CG 3.69Å; M33-P1040 HydrophobicContact CG-CB 3.54Å; M33-P1040 HydrophobicContact CG-CG 3.45Å; M33-P1040 VanDerWaalsContact CG-CG 3.45Å; M33-P1040 HydrophobicContact SD-CG 4.35Å; S36-P1040 WeakPolarHBondContact OG-CA 3.48Å | ||
| 1041 | R | 22.3 | Very low | 25.8 | Very low | 35 Ų | 35 | 99.8 Ų | 99.8 | 13% | 0.132 | 53% | 0.534 | C | S | . | . | trans | -75.6 | 164 | 143.1 | -23.5 | 98.1 | -156.7 | -174.8 | -11.5 | 109.5 | L35 S36 M37 L38 D39 E40 T1043 | L35-R1041 PolarHBondContact O-NH1 3.42Å; S36-R1041 VanDerWaalsContact CA-NH1 3.32Å; S36-R1041 WeakPolarHBondContact O-CD 3.14Å; S36-R1041 PolarHBondContact O-NE 3.33Å; S36-R1041 PolarHBondContact O-NH1 3.43Å; S36-R1041 VanDerWaalsContact OG-C 3.32Å; S36-R1041 WeakPolarHBondContact OG-CA 3.42Å; S36-R1041 WeakPolarHBondContact OG-CD 3.43Å; S36-R1041 PolarHBondContact OG-N 3.38Å; S36-R1041 PolarHBondContact OG-O 2.98Å; M37-R1041 PolarHBondContact O-NH2 3.2Å; M37-R1041 VanDerWaalsContact O-NH2 3.07Å; L38-R1041 VanDerWaalsContact N-NH1 3.17Å; L38-R1041 VanDerWaalsContact N-NH2 3.15Å; L38-R1041 PolarHBondContact O-NH2 3.06Å; D39-R1041 VanDerWaalsContact CA-NH1 3.34Å; D39-R1041 VanDerWaalsContact CB-NH1 3.29Å; D39-R1041 IonicContact OD1-NH1 2.68Å; D39-R1041 IonicContact OD2-CZ 2.78Å; D39-R1041 IonicContact OD2-NH1 3.88Å; D39-R1041 PolarHBondContact OD2-NH1 3.18Å; E40-R1041 HydrophobicContact CB-CG 3.77Å; E40-R1041 VanDerWaalsContact CB-CZ 3.44Å; E40-R1041 HydrophobicContact CG-CG 4.28Å; R1041-T1043 HydrophobicContact CB-CG2 4.04Å | ||
| 1042 | Y | 25.5 | Very low | 26.1 | Very low | 170 Ų | 170 | 99.8 Ų | 99.8 | 67% | 0.667 | 55% | 0.549 | S | S | * | . | -109 | 116.8 | 108.6 | -87.9 | -106.5 | 0 | 0 | 0 | 103.1 | |||||
| 1043 | T | 24.4 | Very low | 26.1 | Very low | 30 Ų | 30 | 100 Ų | 100 | 18% | 0.184 | 56% | 0.562 | C | S | . | * | 55.2 | 131.5 | 74 | 76.4 | 0 | 0 | 0 | 0 | 109.4 | R1041 | R1041-T1043 HydrophobicContact CB-CG2 4.04Š| |||
| 1044 | S | 21.2 | Very low | 26.2 | Very low | 64 Ų | 64 | 101.3 Ų | 101.3 | 45% | 0.448 | 58% | 0.579 | S | S | . | * | 51.4 | 112 | 85.1 | 129.3 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 1045 | D | 22.4 | Very low | 26.3 | Very low | 111 Ų | 111 | 105.8 Ų | 105.8 | 59% | 0.594 | 60% | 0.595 | S | S | * | * | cis | -149.8 | 168.5 | 9 | -70.4 | -67.6 | 0 | 0 | 0 | 112 | ||||
| 1046 | H | 29.3 | Very low | 26.1 | Very low | 175 Ų | 175 | 109.5 Ų | 109.5 | 81% | 0.81 | 61% | 0.606 | S | S | * | * | -173.6 | 96.5 | 112.4 | -79.4 | -22.4 | 0 | 0 | 0 | 108.4 | |||||
| 1047 | N | 24.2 | Very low | 26.5 | Very low | 138 Ų | 138 | 110.9 Ų | 110.9 | 74% | 0.738 | 61% | 0.614 | S | S | * | * | 89.1 | 159.2 | 63.3 | -171 | 26.3 | 0 | 0 | 0 | 111.9 | |||||
| 1048 | V | 25.1 | Very low | 27.1 | Very low | 118 Ų | 118 | 111.2 Ų | 111.2 | 72% | 0.715 | 62% | 0.623 | S | S | * | * | trans | 82.6 | 88.3 | 174.3 | -167.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1049 | I | 26.4 | Very low | 27 | Very low | 133 Ų | 133 | 113.8 Ų | 113.8 | 68% | 0.682 | 64% | 0.638 | S | S | * | * | trans | -59.4 | 159.7 | 150.5 | -63.2 | 159.1 | 0 | 0 | 0 | 110.1 | ||||
| 1050 | F | 23.6 | Very low | 26.6 | Very low | 156 Ų | 156 | 117.3 Ų | 117.3 | 68% | 0.684 | 66% | 0.656 | S | S | * | * | trans | 148.2 | 113.1 | 140.2 | -74.7 | -56.2 | 0 | 0 | 0 | 110.2 | L783 | L783-F1050 HydrophobicContact CD1-CB 3.71Å; L783-F1050 HydrophobicContact CD1-CD1 3.57Å; L783-F1050 HydrophobicContact CD1-CD2 4.12Å; L783-F1050 HydrophobicContact CD1-CE1 4.24Å; L783-F1050 HydrophobicContact CD1-CG 3.52Å | ||
| 1051 | S | 25.7 | Very low | 26.4 | Very low | 75 Ų | 75 | 119.4 Ų | 119.4 | 52% | 0.524 | 67% | 0.672 | S | S | . | * | 65.2 | 82 | 78.1 | -59.6 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1052 | T | 30.8 | Very low | 26.6 | Very low | 142 Ų | 142 | 123.8 Ų | 123.8 | 87% | 0.871 | 70% | 0.698 | S | S | * | * | 68.4 | 105.7 | 91.9 | 59.7 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 1053 | G | 24.7 | Very low | 26.8 | Very low | 79 Ų | 79 | 124.4 Ų | 124.4 | 81% | 0.814 | 70% | 0.704 | S | S | * | * | trans | -157.4 | 128.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1054 | T | 30 | Very low | 26.8 | Very low | 142 Ų | 142 | 131.3 Ų | 131.3 | 87% | 0.871 | 73% | 0.734 | S | S | * | * | trans | -119.8 | 132.2 | -171.3 | 51.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1055 | T | 26.6 | Very low | 27.2 | Very low | 148 Ų | 148 | 131.4 Ų | 131.4 | 91% | 0.908 | 75% | 0.745 | S | S | * | * | trans | -138.5 | 164.2 | 163.8 | 40.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1056 | Q | 24.4 | Very low | 27.4 | Very low | 175 Ų | 175 | 132.7 Ų | 132.7 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | -120.3 | 146.3 | -148.9 | -60.5 | 169.3 | -31.5 | 0 | 0 | 115.7 | ||||
| 1057 | L | 30 | Very low | 27.3 | Very low | 134 Ų | 134 | 130.4 Ų | 130.4 | 70% | 0.702 | 75% | 0.75 | S | S | * | * | trans | 63.4 | 170.4 | 147.8 | -71.5 | 162.8 | 0 | 0 | 0 | 118.3 | ||||
| 1058 | P | 43.4 | Very low | 27.3 | Very low | 115 Ų | 115 | 132.8 Ų | 132.8 | 75% | 0.747 | 75% | 0.75 | S | S | * | * | cis | -127.4 | 157.9 | -9 | 22.4 | 1.1 | 0 | 0 | 0 | 117.4 | ||||
| 1059 | T | 24.7 | Very low | 27.3 | Very low | 113 Ų | 113 | 131.7 Ų | 131.7 | 69% | 0.693 | 75% | 0.748 | S | S | * | * | trans | -24.7 | 150.8 | 161 | 52.9 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 1060 | L | 24.3 | Very low | 27.3 | Very low | 155 Ų | 155 | 133.1 Ų | 133.1 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | 106.4 | 145.2 | 126.7 | -90.4 | 164.9 | 0 | 0 | 0 | 124.3 | |||||
| 1061 | S | 26.3 | Very low | 27.4 | Very low | 100 Ų | 100 | 135.7 Ų | 135.7 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | trans | 82.6 | 147.4 | 158.7 | 84.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1062 | N | 26.4 | Very low | 27.4 | Very low | 127 Ų | 127 | 143 Ų | 143 | 68% | 0.679 | 78% | 0.775 | S | S | * | * | cis | -170.4 | 154.2 | -16.5 | -113.9 | -14.8 | 0 | 0 | 0 | 114.8 | ||||
| 1063 | F | 29.1 | Very low | 27.1 | Very low | 182 Ų | 182 | 140.4 Ų | 140.4 | 80% | 0.798 | 77% | 0.768 | S | S | * | * | trans | 59.2 | 171.5 | 163 | -63.3 | -71.4 | 0 | 0 | 0 | 121 | ||||
| 1064 | H | 25.2 | Very low | 27 | Very low | 176 Ų | 176 | 144.8 Ų | 144.8 | 82% | 0.815 | 77% | 0.767 | S | S | * | * | -170.3 | 141.8 | -61.3 | -139.4 | -55 | 0 | 0 | 0 | 113.6 | |||||
| 1065 | G | 29.1 | Very low | 27.1 | Very low | 65 Ų | 65 | 144.5 Ų | 144.5 | 67% | 0.67 | 76% | 0.76 | S | S | * | * | trans | 159.9 | 153.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1066 | V | 26.3 | Very low | 27 | Very low | 139 Ų | 139 | 144.9 Ų | 144.9 | 84% | 0.842 | 76% | 0.757 | S | S | * | * | cis | 108.1 | 133.1 | -1.3 | 174.8 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1067 | D | 26.3 | Very low | 28 | Very low | 126 Ų | 126 | 142 Ų | 142 | 67% | 0.674 | 75% | 0.753 | S | S | * | * | cis | -172.2 | 178.7 | -27.3 | -164.6 | 7 | 0 | 0 | 0 | 111.6 | ||||
| 1068 | Y | 24.7 | Very low | 27.9 | Very low | 189 Ų | 189 | 141.7 Ų | 141.7 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | trans | 88.9 | 95.5 | 155.6 | -77.4 | -74.2 | 0 | 0 | 0 | 125.6 | ||||
| 1069 | S | 26 | Very low | 27.2 | Very low | 95 Ų | 95 | 145.2 Ų | 145.2 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | 59.8 | 136.7 | 119.1 | 74 | 0 | 0 | 0 | 0 | 127.4 | |||||
| 1070 | M | 24.9 | Very low | 27.3 | Very low | 163 Ų | 163 | 145.9 Ų | 145.9 | 80% | 0.803 | 77% | 0.77 | S | S | * | * | trans | 155.8 | 122.4 | 133.6 | -80.2 | -90 | -162.1 | 0 | 0 | 112.2 | ||||
| 1071 | R | 26.6 | Very low | 27.3 | Very low | 209 Ų | 209 | 143.6 Ų | 143.6 | 79% | 0.789 | 76% | 0.763 | S | S | * | * | 65.2 | 144.3 | 88.5 | -69.1 | -168.2 | -178.3 | -152.5 | 1.6 | 117.7 | |||||
| 1072 | R | 25.4 | Very low | 27.3 | Very low | 229 Ų | 229 | 149.8 Ų | 149.8 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | cis | -176.8 | 148.7 | -18.8 | -168.6 | -169.8 | -167.1 | -157.8 | 5.5 | 112 | ||||
| 1073 | A | 23.7 | Very low | 27.4 | Very low | 88 Ų | 88 | 150 Ų | 150 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | 75.5 | 161.6 | 163.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1074 | Q | 23.6 | Very low | 27.4 | Very low | 171 Ų | 171 | 146.7 Ų | 146.7 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | cis | -157.9 | 173.1 | 11.9 | -152.3 | 176.5 | -30.5 | 0 | 0 | 113 | ||||
| 1075 | N | 31.1 | Very low | 27.7 | Very low | 135 Ų | 135 | 142.2 Ų | 142.2 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | trans | 77 | 152.4 | 164.9 | -52.5 | -13.2 | 0 | 0 | 0 | 118.7 | ||||
| 1076 | D | 24.8 | Very low | 27.7 | Very low | 157 Ų | 157 | 145.2 Ų | 145.2 | 84% | 0.84 | 76% | 0.763 | S | S | * | * | cis | -161.2 | 158.5 | -41.4 | -141.3 | 27.5 | 0 | 0 | 0 | 109.5 | ||||
| 1077 | P | 46.2 | Very low | 27.8 | Very low | 114 Ų | 114 | 144.2 Ų | 144.2 | 74% | 0.74 | 76% | 0.757 | S | S | * | * | trans | -110.5 | 149.5 | -163.7 | 39.1 | -33.5 | 0 | 0 | 0 | 117.5 | ||||
| 1078 | S | 28.7 | Very low | 27.7 | Very low | 128 Ų | 128 | 144.5 Ų | 144.5 | 90% | 0.895 | 76% | 0.764 | S | S | * | * | trans | -159.6 | 143.5 | 149.5 | 57.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1079 | K | 27.5 | Very low | 27.7 | Very low | 188 Ų | 188 | 146.5 Ų | 146.5 | 82% | 0.817 | 77% | 0.77 | S | S | * | * | trans | -162.6 | 122.7 | 179.2 | -163.3 | 175.7 | -173.8 | 178.7 | 0 | 111.8 | ||||
| 1080 | T | 28.1 | Very low | 27.6 | Very low | 128 Ų | 128 | 148 Ų | 148 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -144.6 | 121.3 | 173.3 | 35.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1081 | T | 24.2 | Very low | 27.6 | Very low | 107 Ų | 107 | 146.8 Ų | 146.8 | 66% | 0.656 | 77% | 0.771 | S | S | * | * | 83.1 | 111.8 | 84.3 | -55.9 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1082 | Y | 25.8 | Very low | 27.6 | Very low | 229 Ų | 229 | 141.9 Ų | 141.9 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | trans | -156.5 | 126.4 | 132.3 | -116.7 | -72.4 | 0 | 0 | 0 | 110.8 | ||||
| 1083 | D | 27.9 | Very low | 27.6 | Very low | 131 Ų | 131 | 133.5 Ų | 133.5 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | trans | -81.6 | 161.7 | 175.5 | -61.7 | -81.5 | 0 | 0 | 0 | 111.9 | ||||
| 1084 | N | 30.2 | Very low | 28 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 60% | 0.604 | 75% | 0.749 | S | S | * | * | trans | -143.3 | 126.4 | 153.5 | -104.4 | -63.1 | 0 | 0 | 0 | 111.2 | Q1219 | N1084-Q1219 HydrophobicContact CB-CB 4.24Å; N1084-Q1219 VanDerWaalsContact CB-CD 3.42Å; N1084-Q1219 HydrophobicContact CB-CG 4.02Å; N1084-Q1219 VanDerWaalsContact CG-CD 3.49Å; N1084-Q1219 PolarHBondContact ND2-NE2 3.36Å; N1084-Q1219 PolarHBondContact ND2-OE1 2.8Å | ||
| 1085 | A | 30.6 | Very low | 28.2 | Very low | 83 Ų | 83 | 135 Ų | 135 | 69% | 0.686 | 75% | 0.753 | S | S | * | * | trans | -133.3 | 132.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1086 | V | 28.9 | Very low | 28.1 | Very low | 127 Ų | 127 | 133.3 Ų | 133.3 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | trans | -102 | 135.4 | 170.9 | 178.7 | 0 | 0 | 0 | 0 | 108.1 | E1224 | V1086-E1224 WeakPolarHBondContact CG1-OE1 3.23Š| ||
| 1087 | T | 29.3 | Very low | 28.4 | Very low | 118 Ų | 118 | 132.9 Ų | 132.9 | 72% | 0.724 | 74% | 0.741 | S | S | * | * | trans | -117.3 | 124.9 | -162.9 | -64.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1088 | T | 22.5 | Very low | 27.7 | Very low | 132 Ų | 132 | 132.5 Ų | 132.5 | 81% | 0.81 | 73% | 0.732 | S | S | * | * | trans | -79.4 | 132.9 | 171.1 | 46.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1089 | R | 25.6 | Very low | 28 | Very low | 231 Ų | 231 | 129.1 Ų | 129.1 | 87% | 0.872 | 72% | 0.718 | S | S | * | * | trans | -146.6 | 130.8 | 149.8 | -74.4 | -160.9 | 178.1 | -159.6 | -1.4 | 108.7 | ||||
| 1090 | T | 23.5 | Very low | 28 | Very low | 128 Ų | 128 | 128 Ų | 128 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | cis | 95.8 | 91.1 | 43.6 | -59.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1091 | I | 24.5 | Very low | 28.2 | Very low | 137 Ų | 137 | 127.8 Ų | 127.8 | 70% | 0.703 | 72% | 0.72 | S | S | * | * | trans | -156.6 | 138.5 | 164.8 | -62.3 | -174.4 | 0 | 0 | 0 | 105.3 | ||||
| 1092 | S | 26.9 | Very low | 28.6 | Very low | 105 Ų | 105 | 131.7 Ų | 131.7 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | cis | -164.4 | 173.5 | -21.1 | -90.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1093 | G | 25.9 | Very low | 28.7 | Very low | 54 Ų | 54 | 126.6 Ų | 126.6 | 56% | 0.557 | 73% | 0.727 | S | S | * | * | trans | -77.5 | -168.8 | 157.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1094 | T | 31.7 | Very low | 29 | Very low | 103 Ų | 103 | 126.3 Ų | 126.3 | 63% | 0.632 | 73% | 0.73 | S | S | * | * | cis | -141.3 | 178.8 | 8.5 | 49.4 | 0 | 0 | 0 | 0 | 111.5 | D1096 | T1094-D1096 PolarHBondContact OG1-OD2 3.42Š| ||
| 1095 | Q | 28.8 | Very low | 29.4 | Very low | 188 Ų | 188 | 126.2 Ų | 126.2 | 88% | 0.879 | 73% | 0.73 | S | S | * | * | trans | -111 | 123.7 | 175.8 | 167.5 | -175.2 | -19.4 | 0 | 0 | 108.8 | ||||
| 1096 | D | 28.5 | Very low | 29.8 | Very low | 98 Ų | 98 | 127.4 Ų | 127.4 | 52% | 0.524 | 73% | 0.733 | S | S | . | * | trans | -151.6 | 170.4 | 178 | -73.6 | -64.9 | 0 | 0 | 0 | 110.9 | T1094 S1235 | T1094-D1096 PolarHBondContact OG1-OD2 3.42Å; D1096-S1235 WeakPolarHBondContact CB-OG 3.32Å; D1096-S1235 WeakPolarHBondContact OD2-CB 3.48Å; D1096-S1235 PolarHBondContact OD2-OG 2.65Å | ||
| 1097 | D | 31.1 | Very low | 30.3 | Very low | 148 Ų | 148 | 124.6 Ų | 124.6 | 79% | 0.791 | 72% | 0.719 | S | S | * | * | trans | 58.2 | 100.5 | 168.7 | -69.9 | -12.3 | 0 | 0 | 0 | 121 | ||||
| 1098 | L | 32.3 | Very low | 31.3 | Very low | 106 Ų | 106 | 125.7 Ų | 125.7 | 56% | 0.555 | 72% | 0.716 | S | S | * | * | -139.9 | 122.2 | 124.7 | -90.1 | 177.9 | 0 | 0 | 0 | 108.4 | T972 | T972-L1098 HydrophobicContact CG2-CD1 3.81Š| |||
| 1099 | G | 33.9 | Very low | 32.4 | Very low | 58 Ų | 58 | 128.9 Ų | 128.9 | 60% | 0.598 | 71% | 0.713 | S | S | * | * | trans | -96.8 | -178.3 | -161.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1100 | N | 28.4 | Very low | 33.3 | Very low | 164 Ų | 164 | 123.4 Ų | 123.4 | 88% | 0.877 | 70% | 0.697 | S | S | * | * | trans | -62.8 | 145.5 | -176.9 | -61.5 | -22.4 | 0 | 0 | 0 | 113.5 | ||||
| 1101 | T | 31.8 | Very low | 34.8 | Very low | 124 Ų | 124 | 121.8 Ų | 121.8 | 76% | 0.761 | 68% | 0.684 | S | S | * | * | trans | -130.8 | 128.5 | 151.6 | 39.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1102 | E | 32.4 | Very low | 36.3 | Very low | 189 Ų | 189 | 121.8 Ų | 121.8 | 88% | 0.883 | 68% | 0.681 | S | S | * | * | trans | -84.5 | 136.7 | -177.7 | -57.6 | 169.9 | 116.3 | 0 | 0 | 110.8 | ||||
| 1103 | C | 27.8 | Very low | 37.4 | Very low | 121 Ų | 121 | 125.9 Ų | 125.9 | 82% | 0.818 | 68% | 0.68 | S | S | * | * | trans | -167.9 | 106.1 | 149.5 | -102.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1104 | T | 35.2 | Very low | 38.3 | Very low | 126 Ų | 126 | 128.2 Ų | 128.2 | 77% | 0.773 | 68% | 0.675 | S | S | * | * | trans | 32.3 | 111.7 | 134.2 | 42.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1105 | D | 37.4 | Very low | 39.5 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 59% | 0.594 | 68% | 0.683 | S | S | * | * | trans | 41.3 | 96 | 137 | -162.7 | 9.8 | 0 | 0 | 0 | 119.5 | S1107 | D1105-S1107 WeakPolarHBondContact OD1-CB 3.27Å; D1105-S1107 PolarHBondContact OD1-N 3.37Å; D1105-S1107 PolarHBondContact OD1-OG 2.99Å | ||
| 1106 | S | 38.8 | Very low | 40.9 | Very low | 107 Ų | 107 | 128.2 Ų | 128.2 | 75% | 0.748 | 67% | 0.668 | S | S | * | * | trans | -105.2 | 9 | 159.5 | -67.2 | 0 | 0 | 0 | 0 | 113.3 | Q1108 R1109 | S1106-Q1108 PolarHBondContact O-N 3.09Å; S1106-R1109 PolarHBondContact O-N 2.9Å | ||
| 1107 | S | 41.2 | Very low | 41.7 | Very low | 68 Ų | 68 | 128.3 Ų | 128.3 | 48% | 0.476 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -67.3 | -33.1 | -167.7 | 72.5 | 0 | 0 | 0 | 0 | 113.5 | D1105 R1109 E1110 N1111 | D1105-S1107 WeakPolarHBondContact OD1-CB 3.27Å; D1105-S1107 PolarHBondContact OD1-N 3.37Å; D1105-S1107 PolarHBondContact OD1-OG 2.99Å; S1107-R1109 PolarHBondContact O-N 3.42Å; S1107-E1110 PolarHBondContact O-N 3.43Å; S1107-N1111 PolarHBondContact O-N 3.28Å; S1107-N1111 PolarHBondContact O-ND2 2.99Å |
| 1108 | Q | 49.4 | Very low | 42.4 | Very low | 142 Ų | 142 | 128.7 Ų | 128.7 | 66% | 0.664 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -62.3 | -42.1 | -179.9 | -65.3 | -164.4 | -54.5 | 0 | 0 | 112.5 | S1106 E1110 N1111 E1112 | S1106-Q1108 PolarHBondContact O-N 3.09Å; Q1108-E1110 VanDerWaalsContact C-N 3.29Å; Q1108-E1110 PolarHBondContact O-N 3.21Å; Q1108-N1111 PolarHBondContact O-N 3.31Å; Q1108-N1111 VanDerWaalsContact O-N 3.17Å; Q1108-E1112 PolarHBondContact O-N 3.46Å; Q1108-E1112 VanDerWaalsContact O-N 3.08Å |
| 1109 | R | 46.2 | Very low | 43.5 | Very low | 199 Ų | 199 | 125.8 Ų | 125.8 | 75% | 0.751 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -64.9 | -29.4 | -176.9 | -86.5 | -173.6 | 169.8 | -177.1 | -0.7 | 113.9 | S1106 S1107 R1113 | S1106-R1109 PolarHBondContact O-N 2.9Å; S1107-R1109 PolarHBondContact O-N 3.42Å; R1109-R1113 PolarHBondContact O-N 3.09Å |
| 1110 | E | 44.5 | Very low | 44.3 | Very low | 115 Ų | 115 | 127.1 Ų | 127.1 | 54% | 0.537 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -77.9 | -34.7 | 176.5 | -157.1 | 178.9 | 126.7 | 0 | 0 | 111.7 | S1107 Q1108 E1112 R1113 K1114 | S1107-E1110 PolarHBondContact O-N 3.43Å; Q1108-E1110 VanDerWaalsContact C-N 3.29Å; Q1108-E1110 PolarHBondContact O-N 3.21Å; E1110-E1112 PolarHBondContact O-N 2.99Å; E1110-R1113 PolarHBondContact O-N 3.19Å; E1110-K1114 HydrophobicContact CG-CD 4.48Å; E1110-K1114 WeakPolarHBondContact O-CB 3.29Å; E1110-K1114 WeakPolarHBondContact O-CG 3.34Å; E1110-K1114 PolarHBondContact O-N 2.86Å; E1110-K1114 WeakPolarHBondContact OE1-CE 3.41Å; E1110-K1114 IonicContact OE1-NZ 2.69Å; E1110-K1114 PolarHBondContact OE1-NZ 3.12Å |
| 1111 | N | 54.5 | Low | 44.7 | Very low | 95 Ų | 95 | 123 Ų | 123 | 51% | 0.508 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -65.6 | -35.8 | 174 | -75.7 | -40.1 | 0 | 0 | 0 | 112.6 | S1107 Q1108 K1114 R1115 | S1107-N1111 PolarHBondContact O-N 3.28Å; S1107-N1111 PolarHBondContact O-ND2 2.99Å; Q1108-N1111 PolarHBondContact O-N 3.31Å; Q1108-N1111 VanDerWaalsContact O-N 3.17Å; N1111-K1114 PolarHBondContact O-N 3.38Å; N1111-R1115 PolarHBondContact O-N 3.27Å |
| 1112 | E | 56.4 | Low | 45.2 | Very low | 136 Ų | 136 | 119.9 Ų | 119.9 | 64% | 0.636 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -65.2 | -43.9 | 172.4 | -69.1 | -177.4 | 136.1 | 0 | 0 | 112.2 | Q1108 E1110 K1114 R1115 S1116 | Q1108-E1112 PolarHBondContact O-N 3.46Å; Q1108-E1112 VanDerWaalsContact O-N 3.08Å; E1110-E1112 PolarHBondContact O-N 2.99Å; E1112-K1114 PolarHBondContact O-N 3.06Å; E1112-R1115 PolarHBondContact O-N 3.3Å; E1112-S1116 PolarHBondContact O-N 3.22Å |
| 1113 | R | 48.6 | Very low | 45.8 | Very low | 191 Ų | 191 | 121.2 Ų | 121.2 | 72% | 0.721 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -60 | -45.2 | 173.3 | -74.3 | -172.6 | 177.7 | -142.1 | -0.7 | 111.8 | R1109 E1110 R1115 S1116 I1117 | R1109-R1113 PolarHBondContact O-N 3.09Å; E1110-R1113 PolarHBondContact O-N 3.19Å; R1113-R1115 PolarHBondContact O-N 2.89Å; R1113-S1116 PolarHBondContact O-N 3.02Å; R1113-I1117 WeakPolarHBondContact O-CG1 3.45Å; R1113-I1117 PolarHBondContact O-N 2.67Å; R1113-I1117 VanDerWaalsContact O-N 3.08Å |
| 1114 | K | 46.2 | Very low | 46.4 | Very low | 104 Ų | 104 | 122 Ų | 122 | 45% | 0.452 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -62.6 | -40.4 | 178.4 | -73.8 | 172 | -178.1 | 170.4 | 0 | 112.2 | E1110 N1111 E1112 I1117 F1118 | E1110-K1114 HydrophobicContact CG-CD 4.48Å; E1110-K1114 WeakPolarHBondContact O-CB 3.29Å; E1110-K1114 WeakPolarHBondContact O-CG 3.34Å; E1110-K1114 PolarHBondContact O-N 2.86Å; E1110-K1114 WeakPolarHBondContact OE1-CE 3.41Å; E1110-K1114 IonicContact OE1-NZ 2.69Å; E1110-K1114 PolarHBondContact OE1-NZ 3.12Å; N1111-K1114 PolarHBondContact O-N 3.38Å; E1112-K1114 PolarHBondContact O-N 3.06Å; K1114-I1117 PolarHBondContact O-N 3.21Å; K1114-F1118 PolarHBondContact O-N 3Å; K1114-F1118 VanDerWaalsContact O-N 3.08Å |
| 1115 | R | 56.6 | Low | 46.4 | Very low | 210 Ų | 210 | 123.9 Ų | 123.9 | 79% | 0.792 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63.6 | -40.8 | 173.5 | -78.9 | -173.6 | 174.4 | -130.1 | -0.4 | 113 | N1111 E1112 R1113 G1119 | N1111-R1115 PolarHBondContact O-N 3.27Å; E1112-R1115 PolarHBondContact O-N 3.3Å; R1113-R1115 PolarHBondContact O-N 2.89Å; R1115-G1119 PolarHBondContact O-N 3.23Å |
| 1116 | S | 57.4 | Low | 46.1 | Very low | 81 Ų | 81 | 127.5 Ų | 127.5 | 57% | 0.566 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -62.7 | -43.8 | 177.5 | -172.4 | 0 | 0 | 0 | 0 | 112.5 | E1112 R1113 G1119 T1120 | E1112-S1116 PolarHBondContact O-N 3.22Å; R1113-S1116 PolarHBondContact O-N 3.02Å; S1116-G1119 PolarHBondContact O-N 3.43Å; S1116-T1120 PolarHBondContact O-N 3.37Å; S1116-T1120 PolarHBondContact O-OG1 3.44Å |
| 1117 | I | 45.3 | Very low | 45.6 | Very low | 100 Ų | 100 | 133.7 Ų | 133.7 | 51% | 0.513 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -64.7 | -48.9 | 178.3 | -66.9 | 165.2 | 0 | 0 | 0 | 111 | R1113 K1114 G1119 T1120 L1121 | R1113-I1117 WeakPolarHBondContact O-CG1 3.45Å; R1113-I1117 PolarHBondContact O-N 2.67Å; R1113-I1117 VanDerWaalsContact O-N 3.08Å; K1114-I1117 PolarHBondContact O-N 3.21Å; I1117-G1119 PolarHBondContact O-N 3.39Å; I1117-T1120 WeakPolarHBondContact O-CB 3.16Å; I1117-T1120 PolarHBondContact O-N 2.97Å; I1117-T1120 VanDerWaalsContact O-N 3.14Å; I1117-L1121 HydrophobicContact CG2-CD1 4.1Å; I1117-L1121 PolarHBondContact O-N 2.78Å; I1117-L1121 VanDerWaalsContact O-N 3.08Å |
| 1118 | F | 46.4 | Very low | 45.3 | Very low | 155 Ų | 155 | 136.2 Ų | 136.2 | 68% | 0.68 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -64.9 | -36.6 | 178.1 | -94.2 | -85.6 | 0 | 0 | 0 | 113.3 | K1114 T1120 L1121 G1122 | K1114-F1118 PolarHBondContact O-N 3Å; K1114-F1118 VanDerWaalsContact O-N 3.08Å; F1118-T1120 PolarHBondContact O-N 3.02Å; F1118-L1121 PolarHBondContact O-N 3.37Å; F1118-G1122 PolarHBondContact O-N 3.08Å |
| 1119 | G | 55.2 | Low | 44.3 | Very low | 46 Ų | 46 | 136.9 Ų | 136.9 | 47% | 0.474 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -64.4 | -20.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | R1115 S1116 I1117 | R1115-G1119 PolarHBondContact O-N 3.23Å; S1116-G1119 PolarHBondContact O-N 3.43Å; I1117-G1119 PolarHBondContact O-N 3.39Å |
| 1120 | T | 50.5 | Low | 43.6 | Very low | 86 Ų | 86 | 132.9 Ų | 132.9 | 53% | 0.528 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -85.7 | -50.3 | 174.8 | -53.5 | 0 | 0 | 0 | 0 | 110.7 | S1116 I1117 F1118 G1122 R1123 | S1116-T1120 PolarHBondContact O-N 3.37Å; S1116-T1120 PolarHBondContact O-OG1 3.44Å; I1117-T1120 WeakPolarHBondContact O-CB 3.16Å; I1117-T1120 PolarHBondContact O-N 2.97Å; I1117-T1120 VanDerWaalsContact O-N 3.14Å; F1118-T1120 PolarHBondContact O-N 3.02Å; T1120-G1122 VanDerWaalsContact C-N 3.28Å; T1120-G1122 PolarHBondContact O-N 3.02Å; T1120-R1123 PolarHBondContact O-N 3.47Å; T1120-R1123 VanDerWaalsContact O-N 3.08Å |
| 1121 | L | 37.1 | Very low | 42.9 | Very low | 76 Ų | 76 | 134.1 Ų | 134.1 | 40% | 0.398 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -57.9 | -37 | 176.3 | -88.8 | 156.6 | 0 | 0 | 0 | 113 | I1117 F1118 R1123 M1124 F1125 | I1117-L1121 HydrophobicContact CG2-CD1 4.1Å; I1117-L1121 PolarHBondContact O-N 2.78Å; I1117-L1121 VanDerWaalsContact O-N 3.08Å; F1118-L1121 PolarHBondContact O-N 3.37Å; L1121-R1123 PolarHBondContact O-N 2.93Å; L1121-R1123 VanDerWaalsContact O-N 3.09Å; L1121-M1124 PolarHBondContact O-N 3.47Å; L1121-F1125 HydrophobicContact CD2-CE2 4.05Å |
| 1122 | G | 41.9 | Very low | 41.7 | Very low | 60 Ų | 60 | 136.9 Ų | 136.9 | 62% | 0.619 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -60.8 | -16.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | F1118 T1120 | F1118-G1122 PolarHBondContact O-N 3.08Å; T1120-G1122 VanDerWaalsContact C-N 3.28Å; T1120-G1122 PolarHBondContact O-N 3.02Å |
| 1123 | R | 46.6 | Very low | 40.4 | Very low | 217 Ų | 217 | 137.2 Ų | 137.2 | 82% | 0.819 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -89.6 | -20.7 | 173.2 | -59.9 | -172.1 | -168.1 | -124.1 | 4.4 | 113.5 | T1120 L1121 | T1120-R1123 PolarHBondContact O-N 3.47Å; T1120-R1123 VanDerWaalsContact O-N 3.08Å; L1121-R1123 PolarHBondContact O-N 2.93Å; L1121-R1123 VanDerWaalsContact O-N 3.09Å |
| 1124 | M | 40.2 | Very low | 39.4 | Very low | 138 Ų | 138 | 133.4 Ų | 133.4 | 68% | 0.68 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -80.2 | -26 | -175.5 | -69.1 | 178.9 | 63.6 | 0 | 0 | 113.7 | L1121 | L1121-M1124 PolarHBondContact O-N 3.47Å |
| 1125 | F | 33.8 | Very low | 38.4 | Very low | 165 Ų | 165 | 135.7 Ų | 135.7 | 72% | 0.724 | 71% | 0.709 | S | S | * | * | trans | -106.5 | 17.8 | -171 | -72.9 | -76.9 | 0 | 0 | 0 | 115.3 | L1121 R1127 | L1121-F1125 HydrophobicContact CD2-CE2 4.05Å; F1125-R1127 PolarHBondContact O-N 2.89Å | ||
| 1126 | K | 32 | Very low | 37.2 | Very low | 186 Ų | 186 | 131.5 Ų | 131.5 | 81% | 0.809 | 71% | 0.712 | S | S | * | * | trans | -85.6 | 86.5 | 172.2 | -155.3 | 174.5 | -171.2 | -178 | 0 | 110.3 | P1128 | K1126-P1128 WeakPolarHBondContact O-CD 3.4Š| ||
| 1127 | R | 27.7 | Very low | 35.6 | Very low | 237 Ų | 237 | 136.4 Ų | 136.4 | 89% | 0.894 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 125.4 | 179.7 | -73.8 | -174.5 | 174 | -170 | -1.6 | 111.7 | F1125 | F1125-R1127 PolarHBondContact O-N 2.89Š|
| 1128 | P | 34.6 | Very low | 34.7 | Very low | 121 Ų | 121 | 139 Ų | 139 | 79% | 0.786 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 153.5 | 166.5 | -18 | 32.6 | 0 | 0 | 0 | 111.7 | K1126 | K1126-P1128 WeakPolarHBondContact O-CD 3.4Š|
| 1129 | N | 28.2 | Very low | 33.8 | Very low | 156 Ų | 156 | 140.6 Ų | 140.6 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -77 | 138.8 | 176.9 | -130.7 | 13.3 | 0 | 0 | 0 | 110.5 | ||
| 1130 | P | 31.3 | Very low | 32.7 | Very low | 115 Ų | 115 | 144 Ų | 144 | 75% | 0.747 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 141.6 | -177.4 | 31.4 | -34.4 | 0 | 0 | 0 | 112.4 | ||
| 1131 | V | 31.6 | Very low | 31.4 | Very low | 141 Ų | 141 | 149.5 Ų | 149.5 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | trans | -135.2 | 140.8 | 169.2 | -177.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1132 | N | 28.1 | Very low | 31.1 | Very low | 153 Ų | 153 | 150.3 Ų | 150.3 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -68.4 | 149.6 | -170.4 | -61.8 | -30.2 | 0 | 0 | 0 | 113.9 | ||||
| 1133 | V | 29 | Very low | 30.6 | Very low | 143 Ų | 143 | 154.2 Ų | 154.2 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | 175.3 | 148.6 | 108.9 | 153.1 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 1134 | T | 28.2 | Very low | 29.5 | Very low | 112 Ų | 112 | 151.2 Ų | 151.2 | 69% | 0.687 | 81% | 0.806 | S | S | * | * | trans | -89.6 | 148.2 | -179.5 | 47.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1135 | N | 25.5 | Very low | 28.8 | Very low | 151 Ų | 151 | 154.1 Ų | 154.1 | 81% | 0.807 | 81% | 0.814 | S | S | * | * | 167.5 | 171.8 | 123.7 | -89.5 | -23.7 | 0 | 0 | 0 | 115.4 | |||||
| 1136 | S | 30.5 | Very low | 28.4 | Very low | 122 Ų | 122 | 151.9 Ų | 151.9 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | trans | 69.1 | 85.6 | 164.1 | 54.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1137 | Q | 23.6 | Very low | 28.2 | Very low | 184 Ų | 184 | 149.3 Ų | 149.3 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | trans | -98.4 | 124.5 | 151.1 | 172 | 174.1 | -16.7 | 0 | 0 | 108.4 | ||||
| 1138 | N | 26.7 | Very low | 28 | Very low | 154 Ų | 154 | 142.1 Ų | 142.1 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | trans | 177.4 | 147 | 155.5 | -99.5 | -34.6 | 0 | 0 | 0 | 112.2 | ||||
| 1139 | Q | 26.7 | Very low | 27.6 | Very low | 189 Ų | 189 | 141.9 Ų | 141.9 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | trans | 66.4 | 144.1 | -178.4 | -48.9 | 179.7 | 22.7 | 0 | 0 | 113.5 | ||||
| 1140 | V | 32.4 | Very low | 27.6 | Very low | 119 Ų | 119 | 139.3 Ų | 139.3 | 72% | 0.721 | 81% | 0.805 | S | S | * | * | cis | -122.4 | 120 | 14.8 | 178.1 | 0 | 0 | 0 | 0 | 111.1 | S1142 | V1140-S1142 WeakPolarHBondContact CG1-OG 3.42Š| ||
| 1141 | E | 23.7 | Very low | 27.2 | Very low | 200 Ų | 200 | 141.4 Ų | 141.4 | 94% | 0.935 | 81% | 0.81 | S | S | * | * | trans | -125.1 | 78.6 | 172.4 | -170.4 | 175.4 | -143.8 | 0 | 0 | 109.4 | ||||
| 1142 | S | 31 | Very low | 27 | Very low | 94 Ų | 94 | 144 Ų | 144 | 66% | 0.657 | 81% | 0.813 | S | S | * | * | trans | -153 | 43.7 | -172.5 | 70.9 | 0 | 0 | 0 | 0 | 114.7 | V1140 | V1140-S1142 WeakPolarHBondContact CG1-OG 3.42Š| ||
| 1143 | T | 31.5 | Very low | 27 | Very low | 141 Ų | 141 | 145.5 Ų | 145.5 | 87% | 0.865 | 82% | 0.815 | S | S | * | * | trans | -127.1 | 63 | 175.5 | -44.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1144 | L | 22.5 | Very low | 27.4 | Very low | 155 Ų | 155 | 144.2 Ų | 144.2 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | trans | -129.7 | 140.7 | 177.9 | -97.5 | 170.9 | 0 | 0 | 0 | 111.9 | ||||
| 1145 | K | 25.7 | Very low | 27.7 | Very low | 198 Ų | 198 | 144.1 Ų | 144.1 | 86% | 0.861 | 81% | 0.811 | S | S | * | * | trans | 69.6 | 81.5 | 161.5 | -61.4 | 175 | -180 | 175.5 | 0 | 118.8 | ||||
| 1146 | S | 25.5 | Very low | 27.5 | Very low | 118 Ų | 118 | 144.4 Ų | 144.4 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | -160.7 | 138.5 | 142.5 | -163.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1147 | V | 28.8 | Very low | 27.2 | Very low | 132 Ų | 132 | 148.4 Ų | 148.4 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | cis | -134.6 | 154 | 27.3 | 171 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1148 | A | 24.1 | Very low | 27.1 | Very low | 86 Ų | 86 | 145.8 Ų | 145.8 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | -138.2 | 173.4 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1149 | S | 26 | Very low | 27 | Very low | 116 Ų | 116 | 145 Ų | 145 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | 88 | 159.2 | 173.4 | -60.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1150 | S | 28.4 | Very low | 26.9 | Very low | 102 Ų | 102 | 139.9 Ų | 139.9 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | trans | 67.7 | 115.1 | -168.3 | 72.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1151 | N | 21.7 | Very low | 26.5 | Very low | 159 Ų | 159 | 139.6 Ų | 139.6 | 85% | 0.85 | 77% | 0.765 | S | S | * | * | cis | 80.4 | 92.7 | 0.4 | -139.8 | 20 | 0 | 0 | 0 | 118.2 | ||||
| 1152 | Q | 28.2 | Very low | 26.7 | Very low | 196 Ų | 196 | 136.7 Ų | 136.7 | 92% | 0.916 | 75% | 0.751 | S | S | * | * | trans | 179.9 | 151.3 | 142.5 | -100.9 | 168.1 | 14.3 | 0 | 0 | 113.3 | ||||
| 1153 | Q | 27.5 | Very low | 26.2 | Very low | 184 Ų | 184 | 137.8 Ų | 137.8 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | trans | -99.1 | -174.2 | 167.6 | -67 | 179.5 | -25 | 0 | 0 | 109.4 | ||||
| 1154 | P | 37.4 | Very low | 26 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 75% | 0.753 | 74% | 0.742 | S | S | * | * | cis | -133.4 | -143.7 | 4.4 | 45.4 | -24.2 | 0 | 0 | 0 | 111.2 | ||||
| 1155 | P | 33.6 | Very low | 26.2 | Very low | 111 Ų | 111 | 137.7 Ų | 137.7 | 72% | 0.721 | 74% | 0.742 | S | S | * | * | cis | -134.2 | 163.9 | -17 | 38.6 | -19.9 | 0 | 0 | 0 | 118.5 | ||||
| 1156 | L | 21.5 | Very low | 26.4 | Very low | 156 Ų | 156 | 133.9 Ų | 133.9 | 82% | 0.817 | 74% | 0.738 | S | S | * | * | trans | -24.3 | 148.1 | 159.2 | -43.7 | 166.3 | 0 | 0 | 0 | 121.5 | ||||
| 1157 | R | 24.5 | Very low | 26.4 | Very low | 206 Ų | 206 | 133 Ų | 133 | 78% | 0.777 | 73% | 0.732 | S | S | * | * | 143.5 | 118.9 | 118.2 | -83.6 | -166.9 | 163 | -162.4 | -5.4 | 118.7 | |||||
| 1158 | F | 21.9 | Very low | 26.2 | Very low | 129 Ų | 129 | 129.9 Ų | 129.9 | 57% | 0.566 | 72% | 0.715 | S | S | * | * | trans | 67.4 | 159.4 | 132.4 | -69.3 | -47.1 | 0 | 0 | 0 | 126 | K1029 | K1029-F1158 WeakPolarHBondContact CE-O 3.31Å; K1029-F1158 PolarHBondContact NZ-O 2.88Å | ||
| 1159 | H | 25.3 | Very low | 26.2 | Very low | 138 Ų | 138 | 131.1 Ų | 131.1 | 64% | 0.639 | 71% | 0.706 | S | S | * | * | trans | 73.6 | 108.8 | 173.2 | -50.7 | -64.7 | 0 | 0 | 0 | 115.3 | K1029 | K1029-H1159 WeakPolarHBondContact CE-O 3.48Å; K1029-H1159 PolarHBondContact NZ-O 3.39Å | ||
| 1160 | S | 22.9 | Very low | 25.9 | Very low | 81 Ų | 81 | 134.1 Ų | 134.1 | 57% | 0.566 | 70% | 0.701 | S | S | * | * | cis | 87.8 | 111.4 | 37.3 | -54.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1161 | N | 25.8 | Very low | 25.7 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 61% | 0.61 | 70% | 0.704 | S | S | * | * | trans | 162.8 | 134 | 166.6 | -89.7 | -15 | 0 | 0 | 0 | 106.8 | Y1031 | Y1031-N1161 VanDerWaalsContact CD2-O 3.3Å; Y1031-N1161 WeakPolarHBondContact CD2-O 3.37Å; Y1031-N1161 WeakPolarHBondContact CE2-O 3.4Å; Y1031-N1161 PolarHBondContact OH-N 3.5Å | ||
| 1162 | Q | 26.8 | Very low | 25.7 | Very low | 138 Ų | 138 | 135.2 Ų | 135.2 | 65% | 0.645 | 70% | 0.697 | S | S | * | * | cis | -176.6 | 133.6 | -4 | -121 | 174.1 | 68.2 | 0 | 0 | 104.1 | ||||
| 1163 | L | 21.3 | Very low | 25.5 | Very low | 117 Ų | 117 | 136.3 Ų | 136.3 | 61% | 0.613 | 70% | 0.695 | S | S | * | * | trans | -103 | 130.6 | 167 | -81.9 | 156.6 | 0 | 0 | 0 | 107.8 | ||||
| 1164 | T | 27.7 | Very low | 25.3 | Very low | 117 Ų | 117 | 134.2 Ų | 134.2 | 72% | 0.718 | 69% | 0.689 | S | S | * | * | trans | -147.9 | 139.7 | 173.2 | 41 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1165 | H | 26.4 | Very low | 24.7 | Very low | 177 Ų | 177 | 136.3 Ų | 136.3 | 82% | 0.819 | 69% | 0.693 | S | S | * | * | trans | -83.2 | 164.5 | -175.1 | -63.4 | -108.3 | 0 | 0 | 0 | 113 | ||||
| 1166 | P | 29.2 | Very low | 24.2 | Very low | 118 Ų | 118 | 135.9 Ų | 135.9 | 77% | 0.766 | 69% | 0.69 | S | S | * | * | -125.5 | 144.2 | 109.3 | 36.2 | -30.9 | 0 | 0 | 0 | 111.3 | |||||
| 1167 | S | 25.1 | Very low | 24.3 | Very low | 101 Ų | 101 | 137.2 Ų | 137.2 | 71% | 0.706 | 69% | 0.692 | S | S | * | * | cis | 76.3 | 106.1 | 42.6 | -56.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1168 | C | 24.3 | Very low | 24.2 | Very low | 66 Ų | 66 | 132.2 Ų | 132.2 | 45% | 0.446 | 69% | 0.689 | S | S | . | * | trans | -168.3 | 58.8 | 156.3 | -107.7 | 0 | 0 | 0 | 0 | 115.6 | V23 S24 A25 | V23-C1168 HydrophobicContact CG1-CB 4.24Å; V23-C1168 VanDerWaalsContact CG1-SG 3.51Å; S24-C1168 WeakPolarHBondContact CA-O 3.3Å; A25-C1168 PolarHBondContact N-O 3.25Å | ||
| 1169 | Q | 23.7 | Very low | 24.2 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 52% | 0.519 | 70% | 0.695 | S | S | . | * | trans | 63 | 128.5 | 133.2 | -60.7 | 173.8 | -105.4 | 0 | 0 | 120.7 | S24 A25 D26 | S24-Q1169 CarbonylContact C-O 3.52Å; S24-Q1169 WeakPolarHBondContact CA-O 3.28Å; S24-Q1169 WeakPolarHBondContact CB-O 3.22Å; S24-Q1169 PolarHBondContact OG-O 3.05Å; A25-Q1169 PolarHBondContact N-O 2.9Å; D26-Q1169 PolarHBondContact OD1-N 2.94Å; D26-Q1169 VanDerWaalsContact OD2-C 3.27Å | ||
| 1170 | Y | 20.7 | Very low | 24.2 | Very low | 179 Ų | 179 | 130 Ų | 130 | 70% | 0.702 | 70% | 0.7 | S | S | * | * | 0.7 | 136.3 | 123.3 | -63.3 | -92.2 | 0 | 0 | 0 | 116.6 | S24 D26 | S24-Y1170 WeakPolarHBondContact CB-O 3.29Å; S24-Y1170 PolarHBondContact OG-O 3.06Å; D26-Y1170 PolarHBondContact OD2-N 2.75Å | |||
| 1171 | Q | 24.5 | Very low | 24.2 | Very low | 168 Ų | 168 | 132.9 Ų | 132.9 | 79% | 0.785 | 71% | 0.714 | S | S | * | * | -169.5 | 152.8 | 81.1 | -134.7 | 157.7 | 30.2 | 0 | 0 | 113.8 | |||||
| 1172 | V | 20.8 | Very low | 24.1 | Very low | 116 Ų | 116 | 135 Ų | 135 | 70% | 0.703 | 72% | 0.72 | S | S | * | * | trans | -88.1 | 129.6 | 175.5 | 173.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1173 | Y | 24.4 | Very low | 23.8 | Very low | 220 Ų | 220 | 139.5 Ų | 139.5 | 86% | 0.863 | 73% | 0.731 | S | S | * | * | trans | -94.8 | 105.3 | 163.3 | -91.7 | -79.2 | 0 | 0 | 0 | 111 | ||||
| 1174 | N | 23.5 | Very low | 24 | Very low | 139 Ų | 139 | 138.6 Ų | 138.6 | 74% | 0.743 | 73% | 0.734 | S | S | * | * | trans | -74.6 | 128.3 | 166.9 | -72.9 | -38.2 | 0 | 0 | 0 | 110.2 | ||||
| 1175 | I | 25.2 | Very low | 23.9 | Very low | 161 Ų | 161 | 140.6 Ų | 140.6 | 83% | 0.826 | 74% | 0.74 | S | S | * | * | trans | -128.2 | 111.4 | 152.4 | -60.4 | -176.7 | 0 | 0 | 0 | 107.3 | ||||
| 1176 | P | 23.2 | Very low | 23.8 | Very low | 101 Ų | 101 | 138.7 Ų | 138.7 | 66% | 0.656 | 73% | 0.732 | S | S | * | * | trans | -82.6 | 162.1 | -177.3 | 34.2 | -35.7 | 0 | 0 | 0 | 112.7 | ||||
| 1177 | Q | 23.7 | Very low | 23.5 | Very low | 185 Ų | 185 | 141.9 Ų | 141.9 | 86% | 0.864 | 73% | 0.729 | S | S | * | * | trans | 15.3 | 124.7 | 145.7 | -56.4 | 174.8 | -6.8 | 0 | 0 | 118 | ||||
| 1178 | S | 22 | Very low | 23.4 | Very low | 101 Ų | 101 | 143.9 Ų | 143.9 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | 166.4 | 171 | 96.9 | 70 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1179 | T | 22.5 | Very low | 23.7 | Very low | 115 Ų | 115 | 152.8 Ų | 152.8 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | trans | 58.7 | 93.5 | 153.8 | 51.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1180 | S | 23.7 | Very low | 23.6 | Very low | 106 Ų | 106 | 155.7 Ų | 155.7 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | 30.3 | 111.4 | 111.8 | -172.9 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 1181 | V | 23.9 | Very low | 23.7 | Very low | 141 Ų | 141 | 150.9 Ų | 150.9 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | trans | -131 | 113.7 | 151.6 | -179.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1182 | H | 22.9 | Very low | 23.7 | Very low | 159 Ų | 159 | 150.2 Ų | 150.2 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | trans | -36.8 | 139.7 | 163.6 | -75.2 | -103.1 | 0 | 0 | 0 | 115.4 | ||||
| 1183 | R | 22.3 | Very low | 23.9 | Very low | 231 Ų | 231 | 151.3 Ų | 151.3 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | -170.7 | 121 | 109.7 | -98.3 | 159.5 | -171.1 | -141.7 | -0.2 | 109.7 | |||||
| 1184 | S | 25.1 | Very low | 23.8 | Very low | 98 Ų | 98 | 146.3 Ų | 146.3 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | 69.4 | 101.8 | 105 | -55.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 1185 | D | 24.6 | Very low | 23.7 | Very low | 159 Ų | 159 | 150.5 Ų | 150.5 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | 60.8 | 150.5 | 75.1 | -84.9 | -51.5 | 0 | 0 | 0 | 114.5 | |||||
| 1186 | E | 23.9 | Very low | 23.6 | Very low | 137 Ų | 137 | 148 Ų | 148 | 64% | 0.64 | 78% | 0.776 | S | S | * | * | trans | 81.8 | 136.5 | 177 | -51.3 | -164 | 168.4 | 0 | 0 | 116.3 | ||||
| 1187 | R | 23.7 | Very low | 23.7 | Very low | 186 Ų | 186 | 148.2 Ų | 148.2 | 70% | 0.702 | 78% | 0.78 | S | S | * | * | cis | -156.1 | 140.4 | -6 | -121.6 | 166.6 | -169.2 | 145.2 | 8.2 | 112.7 | ||||
| 1188 | N | 23.4 | Very low | 23.7 | Very low | 142 Ų | 142 | 147.3 Ų | 147.3 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | trans | 24.2 | 117.1 | 142.1 | -59.8 | -8.3 | 0 | 0 | 0 | 119.5 | ||||
| 1189 | R | 29.2 | Very low | 23.7 | Very low | 253 Ų | 253 | 149.7 Ų | 149.7 | 96% | 0.955 | 78% | 0.78 | S | S | * | * | trans | -149.9 | 78.1 | 136.9 | -112.4 | 168.2 | -161.5 | -151.8 | 2.4 | 112.5 | ||||
| 1190 | L | 21.9 | Very low | 23.8 | Very low | 172 Ų | 172 | 150 Ų | 150 | 90% | 0.901 | 79% | 0.787 | S | S | * | * | trans | -72.1 | 145.3 | 156.5 | -75.6 | 164.1 | 0 | 0 | 0 | 109.7 | ||||
| 1191 | A | 23 | Very low | 23.7 | Very low | 78 Ų | 78 | 148.1 Ų | 148.1 | 65% | 0.645 | 79% | 0.785 | S | S | * | * | 154.9 | 144.1 | 118.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1192 | N | 24 | Very low | 23.6 | Very low | 154 Ų | 154 | 151 Ų | 151 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | trans | 70.4 | 147.4 | 168.2 | -48.8 | -28.2 | 0 | 0 | 0 | 115 | ||||
| 1193 | V | 26.3 | Very low | 23.6 | Very low | 140 Ų | 140 | 147.9 Ų | 147.9 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | cis | -123.9 | 156.9 | 18 | 174.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1194 | V | 21.6 | Very low | 23.6 | Very low | 114 Ų | 114 | 143.3 Ų | 143.3 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | trans | -75.3 | 143 | -179.5 | 166.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 1195 | Y | 20.8 | Very low | 23.6 | Very low | 227 Ų | 227 | 145 Ų | 145 | 89% | 0.89 | 78% | 0.775 | S | S | * | * | -153 | 130.7 | 127.2 | -107.4 | -70.8 | 0 | 0 | 0 | 111.4 | |||||
| 1196 | S | 24.4 | Very low | 23.7 | Very low | 110 Ų | 110 | 143.6 Ų | 143.6 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | -137 | 127.2 | 172.2 | 169 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1197 | S | 25.1 | Very low | 23.7 | Very low | 105 Ų | 105 | 144.5 Ų | 144.5 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | -152.2 | 149.4 | 170.4 | -110 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1198 | Q | 24.3 | Very low | 23.7 | Very low | 166 Ų | 166 | 143.9 Ų | 143.9 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | -63.9 | 145.9 | -174.8 | -64.6 | 119.5 | -53.7 | 0 | 0 | 114.4 | ||||
| 1199 | D | 21.2 | Very low | 23.8 | Very low | 151 Ų | 151 | 144 Ų | 144 | 81% | 0.807 | 78% | 0.779 | S | S | * | * | trans | 13.5 | 116.1 | 133.7 | -54.1 | -59.1 | 0 | 0 | 0 | 118.6 | ||||
| 1200 | S | 24.1 | Very low | 23.5 | Very low | 120 Ų | 120 | 143.1 Ų | 143.1 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | trans | -146.8 | 70 | 138.5 | 41.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1201 | G | 21.7 | Very low | 23.5 | Very low | 68 Ų | 68 | 142.1 Ų | 142.1 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | -75.2 | 124.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1202 | F | 22.7 | Very low | 23.7 | Very low | 202 Ų | 202 | 145 Ų | 145 | 89% | 0.886 | 78% | 0.78 | S | S | * | * | trans | -141.2 | 97.5 | 160.5 | -94.4 | -71.2 | 0 | 0 | 0 | 111.8 | ||||
| 1203 | S | 22.2 | Very low | 23.6 | Very low | 92 Ų | 92 | 146.9 Ų | 146.9 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | trans | 43.2 | 119.5 | 137.9 | -52.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 1204 | N | 23.1 | Very low | 23.6 | Very low | 136 Ų | 136 | 146.1 Ų | 146.1 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | 77.4 | 114 | 129.8 | -61.6 | -6.3 | 0 | 0 | 0 | 119.3 | |||||
| 1205 | I | 24.5 | Very low | 23.8 | Very low | 134 Ų | 134 | 147.8 Ų | 147.8 | 69% | 0.687 | 78% | 0.78 | S | S | * | * | 71.1 | 118.9 | 97 | -63.6 | 161 | 0 | 0 | 0 | 111.9 | |||||
| 1206 | T | 26.8 | Very low | 24.1 | Very low | 129 Ų | 129 | 143.9 Ų | 143.9 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | -159.8 | 158.2 | 67.8 | -32.1 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1207 | H | 24.6 | Very low | 24.2 | Very low | 155 Ų | 155 | 147.6 Ų | 147.6 | 72% | 0.718 | 78% | 0.777 | S | S | * | * | trans | -54.4 | 168.9 | -176.4 | -66.4 | -118.8 | 0 | 0 | 0 | 121.4 | ||||
| 1208 | F | 23.5 | Very low | 24.3 | Very low | 174 Ų | 174 | 147.7 Ų | 147.7 | 76% | 0.763 | 78% | 0.778 | S | S | * | * | trans | 117 | 101.4 | 133.2 | -94.4 | -64.7 | 0 | 0 | 0 | 121.3 | ||||
| 1209 | N | 25.8 | Very low | 24.3 | Very low | 144 Ų | 144 | 145.2 Ų | 145.2 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | trans | 27.9 | 128.7 | 146.9 | -60.6 | -0.3 | 0 | 0 | 0 | 122.6 | ||||
| 1210 | R | 22.8 | Very low | 24.5 | Very low | 235 Ų | 235 | 148.4 Ų | 148.4 | 89% | 0.887 | 77% | 0.768 | S | S | * | * | -143.8 | 139.1 | 126.3 | -176.1 | 159.4 | -74.2 | -125.6 | -5.3 | 112.1 | |||||
| 1211 | L | 21.7 | Very low | 24.6 | Very low | 150 Ų | 150 | 150 Ų | 150 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 137.9 | 176.7 | -64.9 | 147.8 | 0 | 0 | 0 | 112.6 | ||
| 1212 | V | 26.2 | Very low | 24.9 | Very low | 139 Ų | 139 | 152.8 Ų | 152.8 | 84% | 0.842 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 123.3 | 175 | 177 | 0 | 0 | 0 | 0 | 109.3 | ||
| 1213 | Y | 21.7 | Very low | 25.1 | Very low | 194 Ų | 194 | 151.3 Ų | 151.3 | 76% | 0.761 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 140.9 | 174.1 | -82.4 | -104.5 | 0 | 0 | 0 | 110.9 | N1215 | Y1213-N1215 PolarHBondContact O-N 3.06Š|
| 1214 | P | 27.2 | Very low | 25.3 | Very low | 124 Ų | 124 | 153.9 Ų | 153.9 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 120.3 | -176.9 | 28.9 | -34.1 | 0 | 0 | 0 | 111.4 | ||
| 1215 | N | 25.5 | Very low | 25.5 | Very low | 148 Ų | 148 | 151.3 Ų | 151.3 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 148.6 | 175.8 | -116.8 | 29.4 | 0 | 0 | 0 | 111.4 | Y1213 | Y1213-N1215 PolarHBondContact O-N 3.06Š|
| 1216 | N | 26.9 | Very low | 25.7 | Very low | 145 Ų | 145 | 150.3 Ų | 150.3 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 144.9 | -170.2 | -90.3 | -31.4 | 0 | 0 | 0 | 115.4 | ||
| 1217 | F | 25.9 | Very low | 25.7 | Very low | 189 Ų | 189 | 149.3 Ų | 149.3 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | trans | 45.2 | 104.5 | 149.5 | -76.4 | -92.4 | 0 | 0 | 0 | 120.5 | ||||
| 1218 | S | 27 | Very low | 25.8 | Very low | 107 Ų | 107 | 152.3 Ų | 152.3 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | -86.6 | 114.2 | 144.7 | 57.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1219 | Q | 25.9 | Very low | 26 | Very low | 113 Ų | 113 | 155.1 Ų | 155.1 | 53% | 0.528 | 78% | 0.779 | S | S | . | * | trans | -50.7 | 132.1 | 179.2 | 175.9 | -172.7 | 18.5 | 0 | 0 | 114.9 | N1084 | N1084-Q1219 HydrophobicContact CB-CB 4.24Å; N1084-Q1219 VanDerWaalsContact CB-CD 3.42Å; N1084-Q1219 HydrophobicContact CB-CG 4.02Å; N1084-Q1219 VanDerWaalsContact CG-CD 3.49Å; N1084-Q1219 PolarHBondContact ND2-NE2 3.36Å; N1084-Q1219 PolarHBondContact ND2-OE1 2.8Å | ||
| 1220 | Y | 25.7 | Very low | 26.5 | Very low | 219 Ų | 219 | 152.6 Ų | 152.6 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | trans | -101 | 132.4 | 155.8 | -86.3 | -89.7 | 0 | 0 | 0 | 109.9 | ||||
| 1221 | H | 24.7 | Very low | 27.5 | Very low | 153 Ų | 153 | 146.8 Ų | 146.8 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | trans | -91.9 | 113.2 | -179.4 | 179.4 | 55.1 | 0 | 0 | 0 | 110.2 | ||||
| 1222 | V | 29.6 | Very low | 28 | Very low | 126 Ų | 126 | 150.6 Ų | 150.6 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | trans | -119.4 | 132.8 | 173.2 | -179.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1223 | Q | 25.1 | Very low | 29.1 | Very low | 171 Ų | 171 | 147.5 Ų | 147.5 | 80% | 0.799 | 75% | 0.752 | S | S | * | * | trans | -79.2 | 131.5 | -178.1 | -69 | 174.9 | -45.4 | 0 | 0 | 111.3 | G1225 | Q1223-G1225 PolarHBondContact O-N 3.15Å; Q1223-G1225 VanDerWaalsContact O-N 3.12Å | ||
| 1224 | E | 26.5 | Very low | 30.3 | Very low | 147 Ų | 147 | 143 Ų | 143 | 69% | 0.687 | 75% | 0.747 | S | S | * | * | trans | -75.4 | 97.7 | 177.7 | -66.8 | -173.6 | 139.5 | 0 | 0 | 111.7 | V1086 T1226 | V1086-E1224 WeakPolarHBondContact CG1-OE1 3.23Å; E1224-T1226 PolarHBondContact O-N 3.14Å; E1224-T1226 VanDerWaalsContact O-N 3.11Å | ||
| 1225 | G | 29 | Very low | 30.3 | Very low | 81 Ų | 81 | 139.8 Ų | 139.8 | 84% | 0.835 | 73% | 0.727 | S | S | * | * | trans | -70.1 | 97.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q1223 S1227 | Q1223-G1225 PolarHBondContact O-N 3.15Å; Q1223-G1225 VanDerWaalsContact O-N 3.12Å; G1225-S1227 PolarHBondContact O-N 3.35Å | ||
| 1226 | T | 26.8 | Very low | 30.3 | Very low | 114 Ų | 114 | 140.9 Ų | 140.9 | 70% | 0.699 | 73% | 0.727 | S | S | * | * | trans | -82.3 | 113.4 | -173.6 | 45.6 | 0 | 0 | 0 | 0 | 113.8 | E1224 | E1224-T1226 PolarHBondContact O-N 3.14Å; E1224-T1226 VanDerWaalsContact O-N 3.11Å | ||
| 1227 | S | 27.9 | Very low | 30.3 | Very low | 107 Ų | 107 | 143.5 Ų | 143.5 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | trans | -138.3 | 83.8 | 165.4 | -166.4 | 0 | 0 | 0 | 0 | 109.5 | G1225 | G1225-S1227 PolarHBondContact O-N 3.35Š| ||
| 1228 | R | 26.5 | Very low | 30.3 | Very low | 219 Ų | 219 | 138.6 Ų | 138.6 | 83% | 0.826 | 72% | 0.724 | S | S | * | * | 62.3 | 73 | 86.4 | -65.2 | -165.8 | -176.3 | -153.7 | 4.5 | 114.5 | |||||
| 1229 | Y | 28.1 | Very low | 30.2 | Very low | 233 Ų | 233 | 143.6 Ų | 143.6 | 91% | 0.914 | 73% | 0.727 | S | S | * | * | trans | -133.9 | 103.4 | 153 | -96.5 | -79.8 | 0 | 0 | 0 | 111.2 | ||||
| 1230 | S | 35.2 | Very low | 30.4 | Very low | 90 Ų | 90 | 148.5 Ų | 148.5 | 63% | 0.629 | 75% | 0.747 | S | S | * | * | trans | -179.2 | 154.8 | 174 | -154.6 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1231 | P | 45.3 | Very low | 30.5 | Very low | 114 Ų | 114 | 141.5 Ų | 141.5 | 74% | 0.74 | 74% | 0.742 | S | S | * | * | cis | -122.5 | -162.2 | 14.4 | 27.3 | -0.7 | 0 | 0 | 0 | 111.5 | ||||
| 1232 | R | 31.8 | Very low | 30.5 | Very low | 230 Ų | 230 | 144.1 Ų | 144.1 | 87% | 0.868 | 75% | 0.751 | S | S | * | * | cis | -161.7 | 162 | 36.5 | -128.7 | -162.4 | 164.7 | -178.1 | -7.4 | 114.3 | ||||
| 1233 | P | 47.9 | Very low | 30.2 | Very low | 74 Ų | 74 | 142.6 Ų | 142.6 | 48% | 0.481 | 75% | 0.752 | S | S | . | * | trans | -106.3 | -152.3 | 174.6 | 42.6 | -26.8 | 0 | 0 | 0 | 109.8 | ||||
| 1234 | P | 47.8 | Very low | 30.2 | Very low | 99 Ų | 99 | 144.2 Ų | 144.2 | 64% | 0.643 | 76% | 0.756 | S | S | * | * | cis | -145.9 | 169.7 | 3 | 41.8 | -21.5 | 0 | 0 | 0 | 120.2 | ||||
| 1235 | S | 26.5 | Very low | 30.2 | Very low | 57 Ų | 57 | 142.4 Ų | 142.4 | 40% | 0.399 | 76% | 0.76 | S | S | . | * | trans | -122.4 | 146.9 | 157 | -63.2 | 0 | 0 | 0 | 0 | 112.4 | D1096 | D1096-S1235 WeakPolarHBondContact CB-OG 3.32Å; D1096-S1235 WeakPolarHBondContact OD2-CB 3.48Å; D1096-S1235 PolarHBondContact OD2-OG 2.65Å | ||
| 1236 | H | 26.9 | Very low | 30 | Very low | 171 Ų | 171 | 142.3 Ų | 142.3 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | trans | -82.7 | 126.5 | -165.5 | -73.2 | -123.7 | 0 | 0 | 0 | 114.8 | ||||
| 1237 | H | 27.2 | Very low | 29.9 | Very low | 200 Ų | 200 | 144.3 Ų | 144.3 | 93% | 0.926 | 76% | 0.764 | S | S | * | * | -140.2 | 145.5 | 128.1 | -110.1 | 39.4 | 0 | 0 | 0 | 110.3 | |||||
| 1238 | S | 24.1 | Very low | 29.7 | Very low | 86 Ų | 86 | 150 Ų | 150 | 60% | 0.601 | 77% | 0.77 | S | S | * | * | trans | -126.2 | 170.8 | -159.5 | -171.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1239 | Y | 25.6 | Very low | 29.5 | Very low | 211 Ų | 211 | 145.1 Ų | 145.1 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | trans | 67.1 | 97 | 174.4 | -56.7 | -82.7 | 0 | 0 | 0 | 116.4 | ||||
| 1240 | F | 29.5 | Very low | 29.4 | Very low | 217 Ų | 217 | 138.6 Ų | 138.6 | 95% | 0.952 | 76% | 0.764 | S | S | * | * | -146.6 | 161.5 | 99.6 | -116.7 | -84.4 | 0 | 0 | 0 | 110.8 | |||||
| 1241 | G | 28.6 | Very low | 28.8 | Very low | 72 Ų | 72 | 141.8 Ų | 141.8 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | trans | -63.3 | 145.5 | -154.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1242 | K | 24.7 | Very low | 28 | Very low | 207 Ų | 207 | 143.4 Ų | 143.4 | 90% | 0.9 | 78% | 0.782 | S | S | * | * | trans | -94.3 | 166.5 | 158 | -88.9 | -172.9 | 177 | 179.5 | 0 | 110.8 | ||||
| 1243 | A | 23 | Very low | 27.6 | Very low | 95 Ų | 95 | 137.8 Ų | 137.8 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | 81.2 | 142.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1244 | K | 25.8 | Very low | 26.6 | Very low | 205 Ų | 205 | 138.4 Ų | 138.4 | 89% | 0.891 | 79% | 0.789 | S | S | * | * | cis | -120 | 132.7 | 12.4 | -64.9 | 173 | -178.5 | 177.6 | 0 | 112.5 | ||||
| 1245 | S | 25 | Very low | 25.8 | Very low | 108 Ų | 108 | 141.1 Ų | 141.1 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | -76.3 | 129.1 | 157 | 48.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 1246 | G | 26.7 | Very low | 26 | Very low | 79 Ų | 79 | 146.8 Ų | 146.8 | 81% | 0.814 | 82% | 0.818 | S | S | * | * | trans | -70.4 | 132.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1247 | I | 24.7 | Very low | 26 | Very low | 157 Ų | 157 | 147 Ų | 147 | 81% | 0.805 | 82% | 0.819 | S | S | * | * | trans | -124.1 | 148.3 | 161.3 | -66 | -179.6 | 0 | 0 | 0 | 106.6 | ||||
| 1248 | Y | 22.3 | Very low | 26.1 | Very low | 225 Ų | 225 | 146.2 Ų | 146.2 | 88% | 0.882 | 82% | 0.816 | S | S | * | * | trans | -42.1 | 138.6 | -171.9 | -75.2 | -97.6 | 0 | 0 | 0 | 115.8 | ||||
| 1249 | S | 23.3 | Very low | 26.4 | Very low | 117 Ų | 117 | 147.8 Ų | 147.8 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | -62.4 | 138.9 | 154.8 | -53.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1250 | A | 24.4 | Very low | 26.6 | Very low | 96 Ų | 96 | 142.1 Ų | 142.1 | 79% | 0.793 | 82% | 0.824 | S | S | * | * | trans | -115.2 | 146.3 | 143.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1251 | D | 24.7 | Very low | 26.4 | Very low | 158 Ų | 158 | 139.5 Ų | 139.5 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | trans | -72.7 | 149.9 | -167.1 | -49.2 | -88.2 | 0 | 0 | 0 | 113.9 | ||||
| 1252 | V | 27 | Very low | 26.3 | Very low | 148 Ų | 148 | 143.4 Ų | 143.4 | 90% | 0.897 | 82% | 0.817 | S | S | * | * | trans | -166.8 | 150.9 | 136.8 | 133.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1253 | S | 24 | Very low | 26.8 | Very low | 112 Ų | 112 | 143.1 Ų | 143.1 | 78% | 0.783 | 82% | 0.819 | S | S | * | * | trans | -61.1 | 153.6 | -172.5 | -48.4 | 0 | 0 | 0 | 0 | 116 | ||||
| 1254 | A | 25.8 | Very low | 27.1 | Very low | 87 Ų | 87 | 143.5 Ų | 143.5 | 72% | 0.719 | 82% | 0.816 | S | S | * | * | trans | -81 | 155.4 | 161.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1255 | N | 31.2 | Very low | 27.3 | Very low | 155 Ų | 155 | 138.2 Ų | 138.2 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | trans | 173.8 | 93.3 | 137.5 | -88.2 | -10.5 | 0 | 0 | 0 | 111.7 | ||||
| 1256 | Q | 30.7 | Very low | 27.4 | Very low | 177 Ų | 177 | 139.4 Ų | 139.4 | 83% | 0.827 | 81% | 0.813 | S | S | * | * | trans | -172.5 | 144.7 | 161.9 | -106.4 | 175.9 | 7.5 | 0 | 0 | 107.9 | ||||
| 1257 | E | 27.9 | Very low | 27.1 | Very low | 174 Ų | 174 | 139.8 Ų | 139.8 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | cis | 82.3 | 82.7 | 3.4 | -48.7 | -171.3 | 85.4 | 0 | 0 | 119.1 | ||||
| 1258 | Q | 29.8 | Very low | 27.5 | Very low | 185 Ų | 185 | 141 Ų | 141 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | trans | -163.6 | 160.9 | 137.2 | -111.2 | 177.6 | 33.1 | 0 | 0 | 112.6 | ||||
| 1259 | S | 29 | Very low | 27.6 | Very low | 118 Ų | 118 | 136.9 Ų | 136.9 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | 77.8 | 105.3 | 171.9 | 69.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1260 | A | 29.9 | Very low | 27.8 | Very low | 92 Ų | 92 | 139.9 Ų | 139.9 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | trans | 51.7 | 110.4 | 134.3 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1261 | I | 26.1 | Very low | 28.1 | Very low | 162 Ų | 162 | 143.3 Ų | 143.3 | 83% | 0.831 | 81% | 0.812 | S | S | * | * | 33.8 | 140.7 | 117.1 | -59.3 | 173 | 0 | 0 | 0 | 119.8 | |||||
| 1262 | Q | 26.6 | Very low | 28.4 | Very low | 155 Ų | 155 | 140 Ų | 140 | 72% | 0.724 | 81% | 0.807 | S | S | * | * | cis | -177.5 | 79.2 | -26.4 | -170.5 | 76.2 | 16.4 | 0 | 0 | 108.3 | ||||
| 1263 | Q | 34.8 | Very low | 28.4 | Very low | 201 Ų | 201 | 142.1 Ų | 142.1 | 94% | 0.939 | 81% | 0.807 | S | S | * | * | trans | -137.9 | 139.3 | 166.9 | -82 | -176 | -0.2 | 0 | 0 | 109.9 | ||||
| 1264 | S | 29.1 | Very low | 28.8 | Very low | 103 Ų | 103 | 140 Ų | 140 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | trans | -159.2 | 122.7 | -138 | 53.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1265 | A | 30 | Very low | 29.5 | Very low | 94 Ų | 94 | 141.6 Ų | 141.6 | 78% | 0.777 | 81% | 0.806 | S | S | * | * | trans | -154 | 98 | 159.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1266 | V | 26.9 | Very low | 30 | Very low | 132 Ų | 132 | 144.2 Ų | 144.2 | 80% | 0.8 | 81% | 0.81 | S | S | * | * | trans | 48.3 | 116.2 | 133.4 | -173.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1267 | S | 21.9 | Very low | 30.7 | Very low | 88 Ų | 88 | 142.4 Ų | 142.4 | 62% | 0.615 | 80% | 0.801 | S | S | * | * | trans | 71.8 | 146 | 148.6 | -68.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1268 | H | 32 | Very low | 32.1 | Very low | 182 Ų | 182 | 137.5 Ų | 137.5 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | cis | -133.5 | 151.2 | -5.4 | -86.7 | -55.5 | 0 | 0 | 0 | 111 | ||||
| 1269 | T | 25.6 | Very low | 33.3 | Very low | 139 Ų | 139 | 134.3 Ų | 134.3 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | trans | -84.2 | 154.2 | 176.8 | 39.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1270 | M | 26.1 | Very low | 35 | Very low | 179 Ų | 179 | 134.2 Ų | 134.2 | 88% | 0.882 | 76% | 0.758 | S | S | * | * | trans | -62.2 | 142.2 | 173.5 | -71.5 | -77.6 | -178.7 | 0 | 0 | 112.3 | ||||
| 1271 | N | 30.3 | Very low | 37 | Very low | 168 Ų | 168 | 132.9 Ų | 132.9 | 90% | 0.898 | 74% | 0.738 | S | S | * | * | trans | -147 | 99.7 | 152.7 | -141.9 | -4.4 | 0 | 0 | 0 | 110.1 | ||||
| 1272 | A | 31 | Very low | 39.3 | Very low | 90 Ų | 90 | 131.2 Ų | 131.2 | 74% | 0.744 | 72% | 0.721 | S | S | * | * | trans | -99.9 | 96.5 | -167.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1273 | Q | 26.9 | Very low | 41.6 | Very low | 192 Ų | 192 | 127.9 Ų | 127.9 | 90% | 0.897 | 71% | 0.706 | S | S | * | * | trans | -153.5 | 47.1 | 170.5 | -118.9 | 168.9 | 54 | 0 | 0 | 113.2 | ||||
| 1274 | G | 32.8 | Very low | 43.7 | Very low | 68 Ų | 68 | 123 Ų | 123 | 70% | 0.701 | 68% | 0.682 | S | S | * | * | trans | -64.4 | 143.1 | 166 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1275 | P | 42 | Very low | 46 | Very low | 120 Ų | 120 | 120.6 Ų | 120.6 | 78% | 0.779 | 67% | 0.665 | S | S | * | * | trans | -64.9 | 147.8 | -177.5 | 27.6 | -35.1 | 0 | 0 | 0 | 111.3 | Q1277 | P1275-Q1277 VanDerWaalsContact C-N 3.35Å; P1275-Q1277 PolarHBondContact O-N 3.07Å | ||
| 1276 | K | 41.6 | Very low | 48.6 | Very low | 209 Ų | 209 | 116.9 Ų | 116.9 | 91% | 0.909 | 63% | 0.631 | S | S | * | * | trans | -65.3 | 91.2 | 173.6 | -64.9 | -178.7 | -178.3 | 177.7 | 0 | 109.7 | T1278 | K1276-T1278 PolarHBondContact O-N 3.44Š| ||
| 1277 | Q | 45 | Very low | 51.2 | Low | 140 Ų | 140 | 115.9 Ų | 115.9 | 65% | 0.654 | 62% | 0.616 | S | S | * | * | trans | -51.8 | 128.6 | 164.3 | -73.2 | -175.8 | -14.5 | 0 | 0 | 108.4 | P1275 D1281 | P1275-Q1277 VanDerWaalsContact C-N 3.35Å; P1275-Q1277 PolarHBondContact O-N 3.07Å; Q1277-D1281 HydrophobicContact CB-CB 4.44Å | ||
| 1278 | T | 55.8 | Low | 54 | Low | 70 Ų | 70 | 115.9 Ų | 115.9 | 43% | 0.429 | 61% | 0.609 | S | S | . | * | trans | -68.8 | 161.5 | 177.8 | 70 | 0 | 0 | 0 | 0 | 109.9 | K1276 E1280 D1281 R1282 | K1276-T1278 PolarHBondContact O-N 3.44Å; T1278-E1280 PolarHBondContact O-N 2.97Å; T1278-D1281 WeakPolarHBondContact CB-OD2 3.43Å; T1278-D1281 WeakPolarHBondContact CG2-OD2 3.22Å; T1278-D1281 PolarHBondContact N-OD2 3.38Å; T1278-D1281 PolarHBondContact O-N 3.3Å; T1278-D1281 PolarHBondContact OG1-N 3.31Å; T1278-D1281 VanDerWaalsContact OG1-N 3.12Å; T1278-D1281 PolarHBondContact OG1-OD1 3.5Å; T1278-D1281 PolarHBondContact OG1-OD2 2.99Å; T1278-R1282 PolarHBondContact O-N 2.95Å; T1278-R1282 VanDerWaalsContact O-N 3.07Å | ||
| 1279 | L | 56.9 | Low | 56.5 | Low | 118 Ų | 118 | 111 Ų | 111 | 62% | 0.618 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -58.1 | -33.9 | 175.2 | -177.7 | 60.1 | 0 | 0 | 0 | 111.3 | Q1283 | L1279-Q1283 WeakPolarHBondContact O-CG 3.46Å; L1279-Q1283 PolarHBondContact O-N 3.48Å |
| 1280 | E | 64.8 | Low | 59.3 | Low | 116 Ų | 116 | 104.4 Ų | 104.4 | 54% | 0.542 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.5 | -44.1 | 172.1 | -64.7 | -170.7 | -168.8 | 0 | 0 | 112.7 | T1278 R1282 Q1283 K1284 | T1278-E1280 PolarHBondContact O-N 2.97Å; E1280-R1282 VanDerWaalsContact C-N 3.26Å; E1280-R1282 PolarHBondContact O-N 2.88Å; E1280-Q1283 CarbonylContact O-C 3.46Å; E1280-Q1283 WeakPolarHBondContact O-CA 3.44Å; E1280-Q1283 WeakPolarHBondContact O-CB 3.32Å; E1280-Q1283 PolarHBondContact O-N 2.91Å; E1280-K1284 WeakPolarHBondContact O-CB 3.26Å; E1280-K1284 VanDerWaalsContact O-CG 3.23Å; E1280-K1284 WeakPolarHBondContact O-CG 3.23Å; E1280-K1284 PolarHBondContact O-N 2.75Å; E1280-K1284 WeakPolarHBondContact OE2-CE 3.3Å; E1280-K1284 IonicContact OE2-NZ 2.6Å; E1280-K1284 PolarHBondContact OE2-NZ 3.34Å |
| 1281 | D | 71.5 | Confident | 62 | Low | 65 Ų | 65 | 97.7 Ų | 97.7 | 35% | 0.348 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64 | -36.3 | -179.1 | -54.8 | -38.9 | 0 | 0 | 0 | 111.1 | Q1277 T1278 K1284 S1285 | Q1277-D1281 HydrophobicContact CB-CB 4.44Å; T1278-D1281 WeakPolarHBondContact CB-OD2 3.43Å; T1278-D1281 WeakPolarHBondContact CG2-OD2 3.22Å; T1278-D1281 PolarHBondContact N-OD2 3.38Å; T1278-D1281 PolarHBondContact O-N 3.3Å; T1278-D1281 PolarHBondContact OG1-N 3.31Å; T1278-D1281 VanDerWaalsContact OG1-N 3.12Å; T1278-D1281 PolarHBondContact OG1-OD1 3.5Å; T1278-D1281 PolarHBondContact OG1-OD2 2.99Å; D1281-K1284 PolarHBondContact O-N 2.72Å; D1281-K1284 IonicContact OD1-NZ 3.7Å; D1281-K1284 PolarHBondContact OD1-NZ 2.88Å; D1281-S1285 VanDerWaalsContact O-CB 3.28Å; D1281-S1285 WeakPolarHBondContact O-CB 3.33Å; D1281-S1285 PolarHBondContact O-N 2.85Å |
| 1282 | R | 73 | Confident | 64.4 | Low | 126 Ų | 126 | 93.3 Ų | 93.3 | 48% | 0.475 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.7 | -38.7 | 171.3 | -163.2 | 170 | 76.8 | 110.6 | -9.5 | 112.1 | T1278 E1280 Q1286 | T1278-R1282 PolarHBondContact O-N 2.95Å; T1278-R1282 VanDerWaalsContact O-N 3.07Å; E1280-R1282 VanDerWaalsContact C-N 3.26Å; E1280-R1282 PolarHBondContact O-N 2.88Å; R1282-Q1286 WeakPolarHBondContact O-CB 3.11Å; R1282-Q1286 VanDerWaalsContact O-CG 3.28Å; R1282-Q1286 WeakPolarHBondContact O-CG 3.26Å; R1282-Q1286 PolarHBondContact O-N 3.14Å |
| 1283 | Q | 74.6 | Confident | 66.8 | Low | 85 Ų | 85 | 89.3 Ų | 89.3 | 40% | 0.397 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.8 | -41.7 | 173.4 | -76.8 | 176 | -16.5 | 0 | 0 | 112.5 | L1279 E1280 Q1286 K1287 | L1279-Q1283 WeakPolarHBondContact O-CG 3.46Å; L1279-Q1283 PolarHBondContact O-N 3.48Å; E1280-Q1283 CarbonylContact O-C 3.46Å; E1280-Q1283 WeakPolarHBondContact O-CA 3.44Å; E1280-Q1283 WeakPolarHBondContact O-CB 3.32Å; E1280-Q1283 PolarHBondContact O-N 2.91Å; Q1283-Q1286 PolarHBondContact O-N 2.75Å; Q1283-K1287 WeakPolarHBondContact O-CB 3.46Å; Q1283-K1287 PolarHBondContact O-N 3.02Å |
| 1284 | K | 78.9 | Confident | 69.3 | Low | 99 Ų | 99 | 80.5 Ų | 80.5 | 43% | 0.43 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.6 | -44.8 | 175.3 | -68.2 | 161 | -165.1 | 155.9 | 0 | 110.3 | E1280 D1281 K1287 L1288 | E1280-K1284 WeakPolarHBondContact O-CB 3.26Å; E1280-K1284 VanDerWaalsContact O-CG 3.23Å; E1280-K1284 WeakPolarHBondContact O-CG 3.23Å; E1280-K1284 PolarHBondContact O-N 2.75Å; E1280-K1284 WeakPolarHBondContact OE2-CE 3.3Å; E1280-K1284 IonicContact OE2-NZ 2.6Å; E1280-K1284 PolarHBondContact OE2-NZ 3.34Å; D1281-K1284 PolarHBondContact O-N 2.72Å; D1281-K1284 IonicContact OD1-NZ 3.7Å; D1281-K1284 PolarHBondContact OD1-NZ 2.88Å; K1284-K1287 PolarHBondContact O-N 3.3Å; K1284-L1288 WeakPolarHBondContact O-CB 3.36Å; K1284-L1288 VanDerWaalsContact O-CG 3.32Å; K1284-L1288 WeakPolarHBondContact O-CG 3.03Å; K1284-L1288 PolarHBondContact O-N 3.08Å |
| 1285 | S | 79.5 | Confident | 71.4 | Confident | 53 Ų | 53 | 81.8 Ų | 81.8 | 37% | 0.371 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62 | -46.1 | 174 | 177.5 | 0 | 0 | 0 | 0 | 112.5 | D1281 K1287 L1288 L1289 | D1281-S1285 VanDerWaalsContact O-CB 3.28Å; D1281-S1285 WeakPolarHBondContact O-CB 3.33Å; D1281-S1285 PolarHBondContact O-N 2.85Å; S1285-K1287 VanDerWaalsContact C-N 3.32Å; S1285-K1287 PolarHBondContact O-N 3.31Å; S1285-L1288 PolarHBondContact O-N 3.01Å; S1285-L1289 WeakPolarHBondContact O-CG 3.33Å; S1285-L1289 PolarHBondContact O-N 3.42Å |
| 1286 | Q | 82.8 | Confident | 73.2 | Confident | 16 Ų | 16 | 79.3 Ų | 79.3 | 8% | 0.075 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.9 | -36.8 | 175.2 | -74.1 | -172.8 | -55.5 | 0 | 0 | 112.7 | R1282 Q1283 L1290 S1310 L1314 | R1282-Q1286 WeakPolarHBondContact O-CB 3.11Å; R1282-Q1286 VanDerWaalsContact O-CG 3.28Å; R1282-Q1286 WeakPolarHBondContact O-CG 3.26Å; R1282-Q1286 PolarHBondContact O-N 3.14Å; Q1283-Q1286 PolarHBondContact O-N 2.75Å; Q1286-L1290 PolarHBondContact O-N 3.34Å; Q1286-S1310 WeakPolarHBondContact CB-OG 3.5Å; Q1286-S1310 WeakPolarHBondContact CG-OG 3.46Å; Q1286-S1310 WeakPolarHBondContact O-CB 3.33Å; Q1286-L1314 HydrophobicContact CB-CD1 3.89Å |
| 1287 | K | 81.4 | Confident | 75.2 | Confident | 111 Ų | 111 | 71.4 Ų | 71.4 | 48% | 0.483 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.3 | -43.1 | 173.8 | 178.5 | 168.5 | 171.3 | 168.7 | 0 | 111.8 | Q1283 K1284 S1285 L1290 E1291 L1314 | Q1283-K1287 WeakPolarHBondContact O-CB 3.46Å; Q1283-K1287 PolarHBondContact O-N 3.02Å; K1284-K1287 PolarHBondContact O-N 3.3Å; S1285-K1287 VanDerWaalsContact C-N 3.32Å; S1285-K1287 PolarHBondContact O-N 3.31Å; K1287-L1290 PolarHBondContact O-N 2.88Å; K1287-E1291 WeakPolarHBondContact CE-OE1 3.46Å; K1287-E1291 HydrophobicContact CG-CG 4.47Å; K1287-E1291 IonicContact NZ-OE1 2.73Å; K1287-E1291 PolarHBondContact O-N 3.21Å; K1287-L1314 HydrophobicContact CB-CD1 4.04Å |
| 1288 | L | 82.5 | Confident | 77 | Confident | 87 Ų | 87 | 67.7 Ų | 67.7 | 46% | 0.455 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.2 | -46.8 | 176 | -74.4 | 168.2 | 0 | 0 | 0 | 111.6 | K1284 S1285 L1290 E1291 D1292 | K1284-L1288 WeakPolarHBondContact O-CB 3.36Å; K1284-L1288 VanDerWaalsContact O-CG 3.32Å; K1284-L1288 WeakPolarHBondContact O-CG 3.03Å; K1284-L1288 PolarHBondContact O-N 3.08Å; S1285-L1288 PolarHBondContact O-N 3.01Å; L1288-L1290 PolarHBondContact O-N 3.08Å; L1288-E1291 PolarHBondContact O-N 3.37Å; L1288-D1292 VanDerWaalsContact O-CB 3.32Å; L1288-D1292 WeakPolarHBondContact O-CB 3.35Å; L1288-D1292 VanDerWaalsContact O-CG 3.29Å; L1288-D1292 PolarHBondContact O-N 2.91Å |
| 1289 | L | 83.5 | Confident | 78.5 | Confident | 80 Ų | 80 | 66.6 Ų | 66.6 | 42% | 0.419 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -54.2 | -38.3 | 175.5 | -74.8 | 168.9 | 0 | 0 | 0 | 112.8 | S1285 A1293 | S1285-L1289 WeakPolarHBondContact O-CG 3.33Å; S1285-L1289 PolarHBondContact O-N 3.42Å; L1289-A1293 WeakPolarHBondContact O-CB 3.48Å; L1289-A1293 PolarHBondContact O-N 3.19Å; L1289-A1293 VanDerWaalsContact O-N 3.11Å |
| 1290 | L | 84.4 | Confident | 80.1 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -78 | -41 | 178.7 | -175.7 | 56.7 | 0 | 0 | 0 | 112.8 | Q1286 K1287 L1288 D1292 I1294 W1303 I1307 W1311 W1315 | Q1286-L1290 PolarHBondContact O-N 3.34Å; K1287-L1290 PolarHBondContact O-N 2.88Å; L1288-L1290 PolarHBondContact O-N 3.08Å; L1290-D1292 VanDerWaalsContact C-N 3.33Å; L1290-I1294 HydrophobicContact CD1-CD1 4.26Å; L1290-I1294 HydrophobicContact CG-CD1 4.43Å; L1290-I1294 WeakPolarHBondContact O-CG1 3.49Å; L1290-I1294 PolarHBondContact O-N 2.93Å; L1290-W1303 HydrophobicContact CD1-CE3 4.43Å; L1290-W1303 HydrophobicContact CD1-CH2 3.67Å; L1290-W1303 HydrophobicContact CD1-CZ3 3.59Å; L1290-I1307 HydrophobicContact CD1-CG2 4.12Å; L1290-W1311 HydrophobicContact CD1-CB 3.87Å; L1290-W1311 HydrophobicContact CD2-CB 4.04Å; L1290-W1315 HydrophobicContact CD2-CD2 3.58Å; L1290-W1315 HydrophobicContact CD2-CE3 4.15Å; L1290-W1315 HydrophobicContact CD2-CG 3.78Å; L1290-W1315 HydrophobicContact CD2-CZ2 4.18Å; L1290-W1315 HydrophobicContact CG-CD2 4.4Å; L1290-W1315 HydrophobicContact CG-CZ2 4.33Å |
| 1291 | E | 82.4 | Confident | 81.3 | Confident | 37 Ų | 37 | 58.6 Ų | 58.6 | 17% | 0.173 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.1 | -40.1 | 172.8 | -75.3 | -170.4 | -150.8 | 0 | 0 | 111.6 | K1287 L1288 I1294 R1295 L1393 | K1287-E1291 WeakPolarHBondContact CE-OE1 3.46Å; K1287-E1291 HydrophobicContact CG-CG 4.47Å; K1287-E1291 IonicContact NZ-OE1 2.73Å; K1287-E1291 PolarHBondContact O-N 3.21Å; L1288-E1291 PolarHBondContact O-N 3.37Å; E1291-I1294 PolarHBondContact O-N 3.18Å; E1291-R1295 WeakPolarHBondContact O-CB 3.39Å; E1291-R1295 WeakPolarHBondContact O-CD 3.36Å; E1291-R1295 WeakPolarHBondContact O-CG 3.34Å; E1291-R1295 PolarHBondContact O-N 3.3Å; E1291-R1295 IonicContact OE2-CZ 3.42Å; E1291-R1295 IonicContact OE2-NE 3.56Å; E1291-R1295 IonicContact OE2-NH2 3.84Å; E1291-R1295 PolarHBondContact OE2-NH2 3.38Å; E1291-L1393 HydrophobicContact CB-CD1 4.19Å; E1291-L1393 HydrophobicContact CG-CD1 3.96Å |
| 1292 | D | 80.9 | Confident | 82.1 | Confident | 77 Ų | 77 | 58.5 Ų | 58.5 | 41% | 0.412 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -73.3 | -34 | -179.1 | -68 | -29.9 | 0 | 0 | 0 | 112.3 | L1288 L1290 I1294 R1295 S1296 | L1288-D1292 VanDerWaalsContact O-CB 3.32Å; L1288-D1292 WeakPolarHBondContact O-CB 3.35Å; L1288-D1292 VanDerWaalsContact O-CG 3.29Å; L1288-D1292 PolarHBondContact O-N 2.91Å; L1290-D1292 VanDerWaalsContact C-N 3.33Å; D1292-I1294 VanDerWaalsContact C-N 3.3Å; D1292-I1294 PolarHBondContact O-N 3.34Å; D1292-R1295 PolarHBondContact O-N 3.49Å; D1292-R1295 WeakPolarHBondContact OD1-CD 3.46Å; D1292-R1295 IonicContact OD1-CZ 4Å; D1292-R1295 IonicContact OD1-NE 2.84Å; D1292-R1295 IonicContact OD1-NH1 2.75Å; D1292-R1295 PolarHBondContact OD1-NH1 3.18Å; D1292-S1296 WeakPolarHBondContact O-CB 3.24Å; D1292-S1296 PolarHBondContact O-N 3.07Å; D1292-S1296 PolarHBondContact O-OG 3.43Å |
| 1293 | A | 81.9 | Confident | 83 | Confident | 5 Ų | 5 | 52.5 Ų | 52.5 | 4% | 0.041 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.8 | -38.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1289 S1296 L1298 I1307 | L1289-A1293 WeakPolarHBondContact O-CB 3.48Å; L1289-A1293 PolarHBondContact O-N 3.19Å; L1289-A1293 VanDerWaalsContact O-N 3.11Å; A1293-S1296 WeakPolarHBondContact CA-OG 3.39Å; A1293-S1296 PolarHBondContact O-OG 3.42Å; A1293-S1296 VanDerWaalsContact O-OG 3.1Å; A1293-L1298 PolarHBondContact O-N 3.19Å; A1293-I1307 HydrophobicContact CB-CD1 4.02Å; A1293-I1307 HydrophobicContact CB-CG2 3.83Å |
| 1294 | I | 79.3 | Confident | 83.8 | Confident | 7 Ų | 7 | 51 Ų | 51 | 4% | 0.036 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -78.1 | -38.6 | 178.4 | -69.6 | 168.5 | 0 | 0 | 0 | 111.5 | L1290 E1291 D1292 S1296 N1297 W1303 W1315 F1369 L1373 L1393 | L1290-I1294 HydrophobicContact CD1-CD1 4.26Å; L1290-I1294 HydrophobicContact CG-CD1 4.43Å; L1290-I1294 WeakPolarHBondContact O-CG1 3.49Å; L1290-I1294 PolarHBondContact O-N 2.93Å; E1291-I1294 PolarHBondContact O-N 3.18Å; D1292-I1294 VanDerWaalsContact C-N 3.3Å; D1292-I1294 PolarHBondContact O-N 3.34Å; I1294-S1296 PolarHBondContact O-N 3.46Å; I1294-N1297 PolarHBondContact O-N 3.26Å; I1294-N1297 PolarHBondContact O-OD1 3.05Å; I1294-W1303 HydrophobicContact CD1-CH2 4.18Å; I1294-W1303 HydrophobicContact CD1-CZ2 4.39Å; I1294-W1303 HydrophobicContact CG1-CH2 4.14Å; I1294-W1303 HydrophobicContact CG1-CZ2 3.85Å; I1294-W1315 HydrophobicContact CD1-CE3 4.41Å; I1294-W1315 HydrophobicContact CD1-CH2 3.24Å; I1294-W1315 HydrophobicContact CD1-CZ2 4.28Å; I1294-W1315 HydrophobicContact CD1-CZ3 3.32Å; I1294-F1369 HydrophobicContact CD1-CE1 4.38Å; I1294-F1369 HydrophobicContact CG2-CE1 4.02Å; I1294-F1369 HydrophobicContact CG2-CZ 4.27Å; I1294-L1373 HydrophobicContact CG2-CD1 4.04Å; I1294-L1393 HydrophobicContact CG2-CG 4.43Å |
| 1295 | R | 76.7 | Confident | 84.4 | Confident | 95 Ų | 95 | 47.4 Ų | 47.4 | 36% | 0.358 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.5 | -23.9 | 174.8 | -70.8 | 160 | -174.9 | -177.5 | -0.1 | 113.5 | E1291 D1292 N1297 L1393 | E1291-R1295 WeakPolarHBondContact O-CB 3.39Å; E1291-R1295 WeakPolarHBondContact O-CD 3.36Å; E1291-R1295 WeakPolarHBondContact O-CG 3.34Å; E1291-R1295 PolarHBondContact O-N 3.3Å; E1291-R1295 IonicContact OE2-CZ 3.42Å; E1291-R1295 IonicContact OE2-NE 3.56Å; E1291-R1295 IonicContact OE2-NH2 3.84Å; E1291-R1295 PolarHBondContact OE2-NH2 3.38Å; D1292-R1295 PolarHBondContact O-N 3.49Å; D1292-R1295 WeakPolarHBondContact OD1-CD 3.46Å; D1292-R1295 IonicContact OD1-CZ 4Å; D1292-R1295 IonicContact OD1-NE 2.84Å; D1292-R1295 IonicContact OD1-NH1 2.75Å; D1292-R1295 PolarHBondContact OD1-NH1 3.18Å; R1295-N1297 VanDerWaalsContact C-N 3.31Å; R1295-L1393 HydrophobicContact CG-CD1 4.43Å |
| 1296 | S | 80.3 | Confident | 84.9 | Confident | 68 Ų | 68 | 48.6 Ų | 48.6 | 48% | 0.476 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 5.7 | 173.5 | 48.8 | 0 | 0 | 0 | 0 | 113.2 | D1292 A1293 I1294 L1298 | D1292-S1296 WeakPolarHBondContact O-CB 3.24Å; D1292-S1296 PolarHBondContact O-N 3.07Å; D1292-S1296 PolarHBondContact O-OG 3.43Å; A1293-S1296 WeakPolarHBondContact CA-OG 3.39Å; A1293-S1296 PolarHBondContact O-OG 3.42Å; A1293-S1296 VanDerWaalsContact O-OG 3.1Å; I1294-S1296 PolarHBondContact O-N 3.46Å; S1296-L1298 PolarHBondContact O-N 3.48Å |
| 1297 | N | 82.6 | Confident | 85.3 | Confident | 44 Ų | 44 | 48.8 Ų | 48.8 | 24% | 0.235 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 33.6 | -178.7 | -63.6 | 0.3 | 0 | 0 | 0 | 113.5 | I1294 R1295 P1299 L1373 | I1294-N1297 PolarHBondContact O-N 3.26Å; I1294-N1297 PolarHBondContact O-OD1 3.05Å; R1295-N1297 VanDerWaalsContact C-N 3.31Å; N1297-P1299 WeakPolarHBondContact O-CD 3.27Å; N1297-L1373 HydrophobicContact CB-CB 4.29Å; N1297-L1373 PolarHBondContact ND2-O 2.85Å |
| 1298 | L | 83.9 | Confident | 85.9 | Confident | 61 Ų | 61 | 43.7 Ų | 43.7 | 32% | 0.319 | 25% | 0.25 | S | S | . | . | trans | -65.3 | 123.8 | 176.7 | -105.2 | 68.4 | 0 | 0 | 0 | 109.6 | A1293 S1296 W1303 | A1293-L1298 PolarHBondContact O-N 3.19Å; S1296-L1298 PolarHBondContact O-N 3.48Å; L1298-W1303 PolarHBondContact O-NE1 3.07Å | ||
| 1299 | P | 86.4 | Confident | 86.3 | Confident | 48 Ų | 48 | 40 Ų | 40 | 31% | 0.312 | 23% | 0.231 | S | C | . | . | trans | -61.3 | 144.1 | 174.1 | 26.6 | -34.5 | 0 | 0 | 0 | 109.9 | N1297 T1301 S1302 T1374 | N1297-P1299 WeakPolarHBondContact O-CD 3.27Å; P1299-T1301 PolarHBondContact O-N 2.91Å; P1299-S1302 PolarHBondContact O-N 3.38Å; P1299-S1302 PolarHBondContact O-OG 3.3Å; P1299-S1302 VanDerWaalsContact O-OG 3.06Å; P1299-T1374 HydrophobicContact CB-CG2 4.38Å | ||
| 1300 | F | 90.7 | Very high | 86.5 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -53.2 | -33.9 | -175.8 | 179.3 | -102.8 | 0 | 0 | 0 | 113 | S1302 W1303 L1308 W1311 G1333 L1336 A1337 V1363 M1366 L1367 T1370 | F1300-S1302 VanDerWaalsContact C-N 3.26Å; F1300-S1302 PolarHBondContact O-N 2.91Å; F1300-W1303 AromaticContact CD2-CD2 3.89Å; F1300-W1303 HydrophobicContact CD2-CD2 3.89Å; F1300-W1303 AromaticContact CD2-CE3 3.65Å; F1300-W1303 HydrophobicContact CD2-CE3 3.65Å; F1300-W1303 HydrophobicContact CD2-CG 4.46Å; F1300-W1303 HydrophobicContact CD2-CH2 4.38Å; F1300-W1303 AromaticContact CD2-CZ3 3.91Å; F1300-W1303 HydrophobicContact CD2-CZ3 3.91Å; F1300-W1303 AromaticContact CE2-CE3 3.92Å; F1300-W1303 HydrophobicContact CE2-CE3 3.92Å; F1300-W1303 HydrophobicContact CE2-CZ3 4.15Å; F1300-W1303 WeakPolarHBondContact O-CB 3.5Å; F1300-W1303 PolarHBondContact O-N 3.33Å; F1300-W1303 VanDerWaalsContact O-N 3.15Å; F1300-L1308 HydrophobicContact CE2-CD2 3.73Å; F1300-L1308 HydrophobicContact CZ-CD2 3.88Å; F1300-W1311 HydrophobicContact CE2-CD2 4.3Å; F1300-W1311 AromaticContact CE2-CE3 3.98Å; F1300-W1311 HydrophobicContact CE2-CE3 3.98Å; F1300-W1311 HydrophobicContact CE2-CH2 4.04Å; F1300-W1311 HydrophobicContact CE2-CZ2 4.33Å; F1300-W1311 AromaticContact CE2-CZ3 3.86Å; F1300-W1311 HydrophobicContact CE2-CZ3 3.86Å; F1300-W1311 HydrophobicContact CZ-CE3 4.34Å; F1300-W1311 AromaticContact CZ-CH2 3.95Å; F1300-W1311 HydrophobicContact CZ-CH2 3.95Å; F1300-W1311 AromaticContact CZ-CZ3 3.79Å; F1300-W1311 HydrophobicContact CZ-CZ3 3.79Å; F1300-G1333 WeakPolarHBondContact O-CA 3.36Å; F1300-L1336 HydrophobicContact CZ-CD2 4.13Å; F1300-A1337 HydrophobicContact CE1-CB 4.5Å; F1300-V1363 HydrophobicContact CE1-CG1 3.98Å; F1300-V1363 HydrophobicContact CE1-CG2 4.48Å; F1300-V1363 HydrophobicContact CZ-CG2 4.28Å; F1300-M1366 HydrophobicContact CB-CG 4.2Å; F1300-M1366 HydrophobicContact CD2-CB 4Å; F1300-M1366 HydrophobicContact CD2-CG 3.27Å; F1300-M1366 HydrophobicContact CE2-CB 4.23Å; F1300-M1366 HydrophobicContact CE2-CG 3.79Å; F1300-M1366 HydrophobicContact CG-CB 4.42Å; F1300-M1366 HydrophobicContact CG-CG 3.93Å; F1300-L1367 HydrophobicContact CB-CD2 4.2Å; F1300-L1367 HydrophobicContact CD1-CD2 3.86Å; F1300-L1367 HydrophobicContact CD1-CG 3.95Å; F1300-L1367 HydrophobicContact CG-CD2 4.48Å; F1300-T1370 HydrophobicContact CB-CG2 4.23Å; F1300-T1370 WeakPolarHBondContact CB-OG1 3.45Å; F1300-T1370 PolarHBondContact N-OG1 3.22Å |
| 1301 | T | 90 | Very high | 86.9 | Confident | 65 Ų | 65 | 36.2 Ų | 36.2 | 40% | 0.399 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -57.4 | -33 | 176.3 | 50 | 0 | 0 | 0 | 0 | 114.1 | P1299 A1334 L1367 | P1299-T1301 PolarHBondContact O-N 2.91Å; T1301-A1334 HydrophobicContact CG2-CB 4.27Å; T1301-A1334 WeakPolarHBondContact O-CB 3.46Å; T1301-A1334 PolarHBondContact O-N 3.3Å; T1301-L1367 HydrophobicContact CG2-CD2 4.18Å |
| 1302 | S | 88.3 | Confident | 87.3 | Confident | 62 Ų | 62 | 34.5 Ų | 34.5 | 43% | 0.434 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -90.9 | 2.5 | 179.9 | 74.2 | 0 | 0 | 0 | 0 | 114.4 | P1299 F1300 | P1299-S1302 PolarHBondContact O-N 3.38Å; P1299-S1302 PolarHBondContact O-OG 3.3Å; P1299-S1302 VanDerWaalsContact O-OG 3.06Å; F1300-S1302 VanDerWaalsContact C-N 3.26Å; F1300-S1302 PolarHBondContact O-N 2.91Å |
| 1303 | W | 92.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -68.3 | 134.9 | 178.4 | -70.6 | 18.3 | 0 | 0 | 0 | 111.1 | L1290 I1294 L1298 F1300 I1307 L1308 W1311 S1332 G1333 M1366 T1370 | L1290-W1303 HydrophobicContact CD1-CE3 4.43Å; L1290-W1303 HydrophobicContact CD1-CH2 3.67Å; L1290-W1303 HydrophobicContact CD1-CZ3 3.59Å; I1294-W1303 HydrophobicContact CD1-CH2 4.18Å; I1294-W1303 HydrophobicContact CD1-CZ2 4.39Å; I1294-W1303 HydrophobicContact CG1-CH2 4.14Å; I1294-W1303 HydrophobicContact CG1-CZ2 3.85Å; L1298-W1303 PolarHBondContact O-NE1 3.07Å; F1300-W1303 AromaticContact CD2-CD2 3.89Å; F1300-W1303 HydrophobicContact CD2-CD2 3.89Å; F1300-W1303 AromaticContact CD2-CE3 3.65Å; F1300-W1303 HydrophobicContact CD2-CE3 3.65Å; F1300-W1303 HydrophobicContact CD2-CG 4.46Å; F1300-W1303 HydrophobicContact CD2-CH2 4.38Å; F1300-W1303 AromaticContact CD2-CZ3 3.91Å; F1300-W1303 HydrophobicContact CD2-CZ3 3.91Å; F1300-W1303 AromaticContact CE2-CE3 3.92Å; F1300-W1303 HydrophobicContact CE2-CE3 3.92Å; F1300-W1303 HydrophobicContact CE2-CZ3 4.15Å; F1300-W1303 WeakPolarHBondContact O-CB 3.5Å; F1300-W1303 PolarHBondContact O-N 3.33Å; F1300-W1303 VanDerWaalsContact O-N 3.15Å; W1303-I1307 HydrophobicContact CB-CB 4.42Å; W1303-I1307 HydrophobicContact CB-CG2 4.3Å; W1303-I1307 HydrophobicContact CD2-CG2 3.8Å; W1303-I1307 HydrophobicContact CE3-CG2 3.63Å; W1303-I1307 HydrophobicContact CG-CG2 4.11Å; W1303-I1307 HydrophobicContact CZ3-CG2 4.24Å; W1303-L1308 HydrophobicContact CB-CD2 4.11Å; W1303-L1308 HydrophobicContact CB-CG 4.41Å; W1303-L1308 HydrophobicContact CE3-CD2 4.24Å; W1303-W1311 HydrophobicContact CZ3-CB 3.97Å; W1303-W1311 HydrophobicContact CZ3-CD2 4.39Å; W1303-W1311 AromaticContact CZ3-CG 3.88Å; W1303-W1311 HydrophobicContact CZ3-CG 3.88Å; W1303-S1332 CarbonylContact O-C 3.54Å; W1303-S1332 VanDerWaalsContact O-CA 3.28Å; W1303-S1332 WeakPolarHBondContact O-CA 3.37Å; W1303-G1333 PolarHBondContact O-N 3.08Å; W1303-M1366 HydrophobicContact CH2-CE 3.97Å; W1303-M1366 HydrophobicContact CH2-CG 3.89Å; W1303-M1366 HydrophobicContact CH2-SD 3.53Å; W1303-M1366 VanDerWaalsContact CH2-SD 3.53Å; W1303-M1366 HydrophobicContact CZ2-CG 4.43Å; W1303-M1366 HydrophobicContact CZ2-SD 4.02Å; W1303-M1366 HydrophobicContact CZ3-CG 4.18Å; W1303-M1366 HydrophobicContact CZ3-SD 4.33Å; W1303-T1370 HydrophobicContact CZ2-CG2 3.88Å | ||
| 1304 | S | 90.8 | Very high | 87.9 | Confident | 55 Ų | 55 | 35.8 Ų | 35.8 | 39% | 0.385 | 21% | 0.206 | S | C | . | . | B | Isolated β-bridge | trans | -84.9 | 158.1 | 178.1 | 63.1 | 0 | 0 | 0 | 0 | 112.2 | P1306 I1307 L1308 | S1304-P1306 VanDerWaalsContact C-N 3.35Å; S1304-I1307 WeakPolarHBondContact O-CA 3.28Å; S1304-I1307 WeakPolarHBondContact O-CB 3.36Å; S1304-I1307 PolarHBondContact O-N 3.04Å; S1304-I1307 WeakPolarHBondContact OG-CD1 3.35Å; S1304-L1308 PolarHBondContact O-N 2.97Å |
| 1305 | S | 90.8 | Very high | 88.2 | Confident | 22 Ų | 22 | 36.5 Ų | 36.5 | 15% | 0.154 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -48 | -43.1 | -178.8 | -166.8 | 0 | 0 | 0 | 0 | 114.8 | I1307 L1308 V1309 I1330 K1331 | S1305-I1307 VanDerWaalsContact C-N 3.3Å; S1305-I1307 PolarHBondContact O-N 3.11Å; S1305-L1308 PolarHBondContact O-N 3.02Å; S1305-V1309 WeakPolarHBondContact O-CB 3.15Å; S1305-V1309 VanDerWaalsContact O-CG2 3.31Å; S1305-V1309 WeakPolarHBondContact O-CG2 3.23Å; S1305-V1309 PolarHBondContact O-N 3.4Å; S1305-I1330 WeakPolarHBondContact CB-O 3.4Å; S1305-I1330 PolarHBondContact OG-O 2.9Å; S1305-K1331 PolarHBondContact N-O 2.97Å |
| 1306 | P | 91.4 | Very high | 88.7 | Confident | 78 Ų | 78 | 32 Ų | 32 | 51% | 0.506 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.9 | -30.7 | 175 | -25.1 | 36.1 | 0 | 0 | 0 | 115.2 | S1304 S1310 | S1304-P1306 VanDerWaalsContact C-N 3.35Å; P1306-S1310 WeakPolarHBondContact O-CB 3.3Å; P1306-S1310 PolarHBondContact O-N 3.46Å; P1306-S1310 PolarHBondContact O-OG 3.39Å |
| 1307 | I | 90.9 | Very high | 89 | Confident | 21 Ų | 21 | 29.2 Ų | 29.2 | 11% | 0.108 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -73.8 | -45.4 | 175.1 | -57.3 | 169.7 | 0 | 0 | 0 | 109 | L1290 A1293 W1303 S1304 S1305 V1309 S1310 W1311 | L1290-I1307 HydrophobicContact CD1-CG2 4.12Å; A1293-I1307 HydrophobicContact CB-CD1 4.02Å; A1293-I1307 HydrophobicContact CB-CG2 3.83Å; W1303-I1307 HydrophobicContact CB-CB 4.42Å; W1303-I1307 HydrophobicContact CB-CG2 4.3Å; W1303-I1307 HydrophobicContact CD2-CG2 3.8Å; W1303-I1307 HydrophobicContact CE3-CG2 3.63Å; W1303-I1307 HydrophobicContact CG-CG2 4.11Å; W1303-I1307 HydrophobicContact CZ3-CG2 4.24Å; S1304-I1307 WeakPolarHBondContact O-CA 3.28Å; S1304-I1307 WeakPolarHBondContact O-CB 3.36Å; S1304-I1307 PolarHBondContact O-N 3.04Å; S1304-I1307 WeakPolarHBondContact OG-CD1 3.35Å; S1305-I1307 VanDerWaalsContact C-N 3.3Å; S1305-I1307 PolarHBondContact O-N 3.11Å; I1307-V1309 PolarHBondContact O-N 2.9Å; I1307-S1310 WeakPolarHBondContact O-CB 3.38Å; I1307-S1310 PolarHBondContact O-N 3.24Å; I1307-S1310 VanDerWaalsContact O-N 3.13Å; I1307-W1311 WeakPolarHBondContact O-CB 3.4Å; I1307-W1311 PolarHBondContact O-N 3.09Å |
| 1308 | L | 92.4 | Very high | 89.4 | Confident | 4 Ų | 4 | 27.7 Ų | 27.7 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.7 | -44.9 | 175.3 | -63.7 | 175.3 | 0 | 0 | 0 | 112.3 | F1300 W1303 S1304 S1305 S1310 W1311 L1312 I1330 L1336 | F1300-L1308 HydrophobicContact CE2-CD2 3.73Å; F1300-L1308 HydrophobicContact CZ-CD2 3.88Å; W1303-L1308 HydrophobicContact CB-CD2 4.11Å; W1303-L1308 HydrophobicContact CB-CG 4.41Å; W1303-L1308 HydrophobicContact CE3-CD2 4.24Å; S1304-L1308 PolarHBondContact O-N 2.97Å; S1305-L1308 PolarHBondContact O-N 3.02Å; L1308-S1310 VanDerWaalsContact C-N 3.25Å; L1308-S1310 PolarHBondContact O-N 3.02Å; L1308-W1311 HydrophobicContact CD2-CE3 4.38Å; L1308-W1311 PolarHBondContact O-N 2.85Å; L1308-L1312 WeakPolarHBondContact O-CB 3.49Å; L1308-L1312 VanDerWaalsContact O-CG 3.28Å; L1308-L1312 WeakPolarHBondContact O-CG 3.5Å; L1308-L1312 PolarHBondContact O-N 3.48Å; L1308-I1330 HydrophobicContact CD1-CG2 3.65Å; L1308-L1336 HydrophobicContact CD2-CD2 4.49Å |
| 1309 | V | 90.9 | Very high | 89.6 | Confident | 9 Ų | 9 | 26.4 Ų | 26.4 | 6% | 0.055 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.1 | -38.7 | 175.1 | 163.7 | 0 | 0 | 0 | 0 | 111.2 | S1305 I1307 K1313 V1323 E1327 | S1305-V1309 WeakPolarHBondContact O-CB 3.15Å; S1305-V1309 VanDerWaalsContact O-CG2 3.31Å; S1305-V1309 WeakPolarHBondContact O-CG2 3.23Å; S1305-V1309 PolarHBondContact O-N 3.4Å; I1307-V1309 PolarHBondContact O-N 2.9Å; V1309-K1313 WeakPolarHBondContact O-CB 3.13Å; V1309-K1313 PolarHBondContact O-N 3.37Å; V1309-V1323 HydrophobicContact CB-CG1 4.29Å; V1309-V1323 HydrophobicContact CG1-CG1 3.8Å; V1309-V1323 HydrophobicContact CG2-CG1 4.29Å; V1309-E1327 HydrophobicContact CG2-CB 3.63Å; V1309-E1327 HydrophobicContact CG2-CG 3.73Å |
| 1310 | S | 89.5 | Confident | 89.7 | Confident | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.014 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -69.7 | -43.3 | 176.4 | -58.2 | 0 | 0 | 0 | 0 | 111.6 | Q1286 P1306 I1307 L1308 L1314 | Q1286-S1310 WeakPolarHBondContact CB-OG 3.5Å; Q1286-S1310 WeakPolarHBondContact CG-OG 3.46Å; Q1286-S1310 WeakPolarHBondContact O-CB 3.33Å; P1306-S1310 WeakPolarHBondContact O-CB 3.3Å; P1306-S1310 PolarHBondContact O-N 3.46Å; P1306-S1310 PolarHBondContact O-OG 3.39Å; I1307-S1310 WeakPolarHBondContact O-CB 3.38Å; I1307-S1310 PolarHBondContact O-N 3.24Å; I1307-S1310 VanDerWaalsContact O-N 3.13Å; L1308-S1310 VanDerWaalsContact C-N 3.25Å; L1308-S1310 PolarHBondContact O-N 3.02Å; S1310-L1314 WeakPolarHBondContact O-CB 3.49Å; S1310-L1314 VanDerWaalsContact O-CG 3.27Å; S1310-L1314 WeakPolarHBondContact O-CG 3.35Å; S1310-L1314 PolarHBondContact O-N 2.8Å |
| 1311 | W | 91.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.3 | -51.2 | 177.1 | 169.7 | 70.4 | 0 | 0 | 0 | 113.7 | L1290 F1300 W1303 I1307 L1308 K1313 L1314 W1315 V1316 L1336 A1362 V1363 M1366 | L1290-W1311 HydrophobicContact CD1-CB 3.87Å; L1290-W1311 HydrophobicContact CD2-CB 4.04Å; F1300-W1311 HydrophobicContact CE2-CD2 4.3Å; F1300-W1311 AromaticContact CE2-CE3 3.98Å; F1300-W1311 HydrophobicContact CE2-CE3 3.98Å; F1300-W1311 HydrophobicContact CE2-CH2 4.04Å; F1300-W1311 HydrophobicContact CE2-CZ2 4.33Å; F1300-W1311 AromaticContact CE2-CZ3 3.86Å; F1300-W1311 HydrophobicContact CE2-CZ3 3.86Å; F1300-W1311 HydrophobicContact CZ-CE3 4.34Å; F1300-W1311 AromaticContact CZ-CH2 3.95Å; F1300-W1311 HydrophobicContact CZ-CH2 3.95Å; F1300-W1311 AromaticContact CZ-CZ3 3.79Å; F1300-W1311 HydrophobicContact CZ-CZ3 3.79Å; W1303-W1311 HydrophobicContact CZ3-CB 3.97Å; W1303-W1311 HydrophobicContact CZ3-CD2 4.39Å; W1303-W1311 AromaticContact CZ3-CG 3.88Å; W1303-W1311 HydrophobicContact CZ3-CG 3.88Å; I1307-W1311 WeakPolarHBondContact O-CB 3.4Å; I1307-W1311 PolarHBondContact O-N 3.09Å; L1308-W1311 HydrophobicContact CD2-CE3 4.38Å; L1308-W1311 PolarHBondContact O-N 2.85Å; W1311-K1313 PolarHBondContact O-N 3.39Å; W1311-L1314 PolarHBondContact O-N 2.95Å; W1311-W1315 AromaticContact CD1-CE3 3.98Å; W1311-W1315 PolarHBondContact O-N 3.03Å; W1311-V1316 HydrophobicContact CD2-CG2 3.83Å; W1311-V1316 VanDerWaalsContact CE2-CG2 3.42Å; W1311-V1316 HydrophobicContact CE3-CG2 4.17Å; W1311-V1316 HydrophobicContact CG-CG2 4.48Å; W1311-V1316 HydrophobicContact CH2-CG2 3.8Å; W1311-V1316 HydrophobicContact CZ2-CG2 3.43Å; W1311-V1316 VanDerWaalsContact CZ2-CG2 3.43Å; W1311-V1316 HydrophobicContact CZ3-CG2 4.15Å; W1311-V1316 PolarHBondContact O-N 2.93Å; W1311-V1316 VanDerWaalsContact O-N 3.09Å; W1311-L1336 HydrophobicContact CZ3-CD2 3.86Å; W1311-A1362 HydrophobicContact CH2-CB 4.24Å; W1311-A1362 HydrophobicContact CZ2-CB 3.93Å; W1311-A1362 WeakPolarHBondContact CZ2-O 3.48Å; W1311-V1363 HydrophobicContact CH2-CG2 3.79Å; W1311-V1363 HydrophobicContact CZ3-CG2 4.35Å; W1311-M1366 HydrophobicContact CZ2-CB 4.07Å; W1311-M1366 VanDerWaalsContact NE1-CE 3.31Å |
| 1312 | L | 92.1 | Very high | 89.6 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | I | π-helix | trans | -55.7 | -42.7 | 177.2 | -73.2 | 170.6 | 0 | 0 | 0 | 111.1 | L1308 V1316 G1317 M1318 V1323 C1326 L1359 | L1308-L1312 WeakPolarHBondContact O-CB 3.49Å; L1308-L1312 VanDerWaalsContact O-CG 3.28Å; L1308-L1312 WeakPolarHBondContact O-CG 3.5Å; L1308-L1312 PolarHBondContact O-N 3.48Å; L1312-V1316 HydrophobicContact CD2-CG2 4.25Å; L1312-G1317 PolarHBondContact O-N 2.63Å; L1312-M1318 HydrophobicContact CB-CB 4.48Å; L1312-M1318 HydrophobicContact CD2-CG 4.29Å; L1312-M1318 PolarHBondContact O-N 3.38Å; L1312-V1323 HydrophobicContact CB-CG2 4.13Å; L1312-C1326 HydrophobicContact CD1-CB 3.53Å; L1312-L1359 HydrophobicContact CD2-CD1 3.63Å |
| 1313 | K | 88.9 | Confident | 89.8 | Confident | 58 Ų | 58 | 30.3 Ų | 30.3 | 25% | 0.252 | 17% | 0.171 | S | C | . | . | I | π-helix | trans | -74.7 | -42.8 | -178.8 | -177.1 | -176.1 | 167 | -165.6 | 0 | 113.3 | V1309 W1311 V1323 | V1309-K1313 WeakPolarHBondContact O-CB 3.13Å; V1309-K1313 PolarHBondContact O-N 3.37Å; W1311-K1313 PolarHBondContact O-N 3.39Å; K1313-V1323 HydrophobicContact CB-CG1 4.5Å; K1313-V1323 HydrophobicContact CB-CG2 4.2Å |
| 1314 | L | 85.4 | Confident | 89.6 | Confident | 50 Ų | 50 | 32.7 Ų | 32.7 | 26% | 0.262 | 19% | 0.19 | S | C | . | . | I | π-helix | trans | -94.8 | -36.5 | -170.7 | -62.3 | 177.1 | 0 | 0 | 0 | 114 | Q1286 K1287 S1310 W1311 | Q1286-L1314 HydrophobicContact CB-CD1 3.89Å; K1287-L1314 HydrophobicContact CB-CD1 4.04Å; S1310-L1314 WeakPolarHBondContact O-CB 3.49Å; S1310-L1314 VanDerWaalsContact O-CG 3.27Å; S1310-L1314 WeakPolarHBondContact O-CG 3.35Å; S1310-L1314 PolarHBondContact O-N 2.8Å; W1311-L1314 PolarHBondContact O-N 2.95Å |
| 1315 | W | 86.2 | Confident | 89.6 | Confident | 23 Ų | 23 | 31.3 Ų | 31.3 | 9% | 0.087 | 18% | 0.183 | C | C | . | . | I | π-helix | trans | -109.9 | -37.5 | -171.9 | -72.3 | 11.7 | 0 | 0 | 0 | 112.8 | L1290 I1294 W1311 M1366 L1393 I1400 G1402 | L1290-W1315 HydrophobicContact CD2-CD2 3.58Å; L1290-W1315 HydrophobicContact CD2-CE3 4.15Å; L1290-W1315 HydrophobicContact CD2-CG 3.78Å; L1290-W1315 HydrophobicContact CD2-CZ2 4.18Å; L1290-W1315 HydrophobicContact CG-CD2 4.4Å; L1290-W1315 HydrophobicContact CG-CZ2 4.33Å; I1294-W1315 HydrophobicContact CD1-CE3 4.41Å; I1294-W1315 HydrophobicContact CD1-CH2 3.24Å; I1294-W1315 HydrophobicContact CD1-CZ2 4.28Å; I1294-W1315 HydrophobicContact CD1-CZ3 3.32Å; W1311-W1315 AromaticContact CD1-CE3 3.98Å; W1311-W1315 PolarHBondContact O-N 3.03Å; W1315-M1366 HydrophobicContact CE3-CE 3.75Å; W1315-M1366 HydrophobicContact CZ3-CE 3.86Å; W1315-L1393 HydrophobicContact CH2-CD2 4.41Å; W1315-I1400 HydrophobicContact CE3-CG2 4.16Å; W1315-I1400 HydrophobicContact CZ3-CG2 3.84Å; W1315-G1402 WeakPolarHBondContact O-CA 3.41Å |
| 1316 | V | 87.1 | Confident | 89.5 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | I | π-helix | trans | -79.4 | -27.6 | 170.9 | -166.2 | 0 | 0 | 0 | 0 | 111 | W1311 L1312 M1318 K1358 A1362 | W1311-V1316 HydrophobicContact CD2-CG2 3.83Å; W1311-V1316 VanDerWaalsContact CE2-CG2 3.42Å; W1311-V1316 HydrophobicContact CE3-CG2 4.17Å; W1311-V1316 HydrophobicContact CG-CG2 4.48Å; W1311-V1316 HydrophobicContact CH2-CG2 3.8Å; W1311-V1316 HydrophobicContact CZ2-CG2 3.43Å; W1311-V1316 VanDerWaalsContact CZ2-CG2 3.43Å; W1311-V1316 HydrophobicContact CZ3-CG2 4.15Å; W1311-V1316 PolarHBondContact O-N 2.93Å; W1311-V1316 VanDerWaalsContact O-N 3.09Å; L1312-V1316 HydrophobicContact CD2-CG2 4.25Å; V1316-M1318 HydrophobicContact CB-CG 4.21Å; V1316-M1318 HydrophobicContact CG1-CE 3.89Å; V1316-M1318 HydrophobicContact CG1-CG 3.85Å; V1316-M1318 HydrophobicContact CG1-SD 4.46Å; V1316-K1358 HydrophobicContact CG1-CG 4.41Å; V1316-K1358 WeakPolarHBondContact O-CE 3.5Å; V1316-K1358 PolarHBondContact O-NZ 3.31Å; V1316-A1362 HydrophobicContact CG1-CB 3.86Å; V1316-A1362 HydrophobicContact CG2-CB 3.88Å |
| 1317 | G | 87 | Confident | 89.4 | Confident | 10 Ų | 10 | 32.1 Ų | 32.1 | 10% | 0.103 | 18% | 0.178 | C | C | . | . | trans | 62.2 | 50.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L1312 K1358 H1406 | L1312-G1317 PolarHBondContact O-N 2.63Å; G1317-K1358 PolarHBondContact O-NZ 2.97Å; G1317-H1406 PolarHBondContact O-CE1 3.44Å; G1317-H1406 PolarHBondContact O-ND1 3.48Å | ||
| 1318 | M | 90.8 | Very high | 89.3 | Confident | 11 Ų | 11 | 34.6 Ų | 34.6 | 5% | 0.054 | 20% | 0.201 | C | C | . | . | trans | -82.7 | 134.1 | 171.9 | -74.8 | -61.5 | -172.5 | 0 | 0 | 110.6 | L1312 V1316 Y1322 V1323 K1358 L1359 L1430 | L1312-M1318 HydrophobicContact CB-CB 4.48Å; L1312-M1318 HydrophobicContact CD2-CG 4.29Å; L1312-M1318 PolarHBondContact O-N 3.38Å; V1316-M1318 HydrophobicContact CB-CG 4.21Å; V1316-M1318 HydrophobicContact CG1-CE 3.89Å; V1316-M1318 HydrophobicContact CG1-CG 3.85Å; V1316-M1318 HydrophobicContact CG1-SD 4.46Å; M1318-Y1322 HydrophobicContact SD-CD2 4.28Å; M1318-V1323 HydrophobicContact CB-CG2 3.91Å; M1318-V1323 WeakPolarHBondContact O-CG2 3.49Å; M1318-K1358 HydrophobicContact CE-CB 4.06Å; M1318-K1358 HydrophobicContact CE-CD 3.86Å; M1318-K1358 HydrophobicContact CE-CG 4Å; M1318-K1358 HydrophobicContact SD-CD 4.25Å; M1318-L1359 HydrophobicContact CE-CB 3.84Å; M1318-L1359 HydrophobicContact CE-CD1 4.28Å; M1318-L1430 HydrophobicContact SD-CD1 4.27Å | ||
| 1319 | P | 88.1 | Confident | 89.1 | Confident | 34 Ų | 34 | 38 Ų | 38 | 22% | 0.221 | 22% | 0.22 | C | C | . | . | trans | -51.7 | 146.3 | 170.9 | -30.7 | 35.7 | 0 | 0 | 0 | 113.6 | W1321 Y1322 V1323 L1430 | P1319-W1321 HydrophobicContact CB-CG 4.36Å; P1319-W1321 VanDerWaalsContact CB-NE1 3.28Å; P1319-W1321 PolarHBondContact O-N 3Å; P1319-Y1322 PolarHBondContact O-N 3.35Å; P1319-V1323 PolarHBondContact O-N 3.28Å; P1319-V1323 VanDerWaalsContact O-N 3.07Å; P1319-L1430 HydrophobicContact CG-CD1 3.83Å; P1319-L1430 HydrophobicContact CG-CD2 3.67Å; P1319-L1430 HydrophobicContact CG-CG 4.41Å | ||
| 1320 | A | 88.5 | Confident | 89 | Confident | 81 Ų | 81 | 37.9 Ų | 37.9 | 67% | 0.669 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -55.7 | -26.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | A1324 | A1320-A1324 WeakPolarHBondContact O-CB 3.48Å; A1320-A1324 PolarHBondContact O-N 3.12Å |
| 1321 | W | 86 | Confident | 89.1 | Confident | 159 Ų | 159 | 45.4 Ų | 45.4 | 60% | 0.602 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -75.5 | -33.7 | 176.9 | 55.8 | -86 | 0 | 0 | 0 | 113.4 | P1319 A1325 | P1319-W1321 HydrophobicContact CB-CG 4.36Å; P1319-W1321 VanDerWaalsContact CB-NE1 3.28Å; P1319-W1321 PolarHBondContact O-N 3Å; W1321-A1325 PolarHBondContact O-N 3.42Å; W1321-A1325 VanDerWaalsContact O-N 3.15Å |
| 1322 | Y | 92.3 | Very high | 89 | Confident | 10 Ų | 10 | 47.2 Ų | 47.2 | 4% | 0.039 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -72.4 | -39.2 | 167.6 | -74.3 | -43.9 | 0 | 0 | 0 | 111.8 | M1318 P1319 A1324 A1325 C1326 I1350 H1355 L1430 | M1318-Y1322 HydrophobicContact SD-CD2 4.28Å; P1319-Y1322 PolarHBondContact O-N 3.35Å; Y1322-A1324 VanDerWaalsContact C-N 3.3Å; Y1322-A1324 PolarHBondContact O-N 3.14Å; Y1322-A1325 PolarHBondContact O-N 3.45Å; Y1322-C1326 PolarHBondContact O-N 3.2Å; Y1322-C1326 PolarHBondContact O-SG 3.44Å; Y1322-I1350 HydrophobicContact CD1-CD1 3.97Å; Y1322-I1350 HydrophobicContact CD1-CG1 3.79Å; Y1322-I1350 HydrophobicContact CE1-CB 3.99Å; Y1322-I1350 HydrophobicContact CE1-CD1 4.11Å; Y1322-I1350 HydrophobicContact CE1-CG1 3.57Å; Y1322-I1350 HydrophobicContact CE1-CG2 3.91Å; Y1322-I1350 HydrophobicContact CG-CD1 4.47Å; Y1322-H1355 HydrophobicContact CE2-CB 4.2Å; Y1322-H1355 AromaticContact CE2-ND1 3.35Å; Y1322-H1355 WeakPolarHBondContact CE2-ND1 3.5Å; Y1322-H1355 AromaticContact CZ-ND1 3.52Å; Y1322-H1355 PolarHBondContact OH-ND1 3.28Å; Y1322-L1430 HydrophobicContact CD2-CD1 4.22Å; Y1322-L1430 HydrophobicContact CE2-CD1 3.95Å |
| 1323 | V | 91.9 | Very high | 89 | Confident | 8 Ų | 8 | 47.2 Ų | 47.2 | 5% | 0.048 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.9 | -43 | 176 | 178.9 | 0 | 0 | 0 | 0 | 110.7 | V1309 L1312 K1313 M1318 P1319 C1326 E1327 | V1309-V1323 HydrophobicContact CB-CG1 4.29Å; V1309-V1323 HydrophobicContact CG1-CG1 3.8Å; V1309-V1323 HydrophobicContact CG2-CG1 4.29Å; L1312-V1323 HydrophobicContact CB-CG2 4.13Å; K1313-V1323 HydrophobicContact CB-CG1 4.5Å; K1313-V1323 HydrophobicContact CB-CG2 4.2Å; M1318-V1323 HydrophobicContact CB-CG2 3.91Å; M1318-V1323 WeakPolarHBondContact O-CG2 3.49Å; P1319-V1323 PolarHBondContact O-N 3.28Å; P1319-V1323 VanDerWaalsContact O-N 3.07Å; V1323-C1326 PolarHBondContact O-N 3.21Å; V1323-E1327 WeakPolarHBondContact O-CB 3.44Å; V1323-E1327 PolarHBondContact O-N 3.31Å |
| 1324 | A | 89.7 | Confident | 89 | Confident | 50 Ų | 50 | 46.4 Ų | 46.4 | 41% | 0.413 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.8 | -35.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | A1320 Y1322 E1327 A1328 | A1320-A1324 WeakPolarHBondContact O-CB 3.48Å; A1320-A1324 PolarHBondContact O-N 3.12Å; Y1322-A1324 VanDerWaalsContact C-N 3.3Å; Y1322-A1324 PolarHBondContact O-N 3.14Å; A1324-E1327 PolarHBondContact O-N 3.35Å; A1324-A1328 WeakPolarHBondContact O-CB 3.11Å; A1324-A1328 PolarHBondContact O-N 3.44Å |
| 1325 | A | 88.9 | Confident | 89.1 | Confident | 27 Ų | 27 | 47.4 Ų | 47.4 | 22% | 0.223 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.2 | -40.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | W1321 Y1322 N1329 | W1321-A1325 PolarHBondContact O-N 3.42Å; W1321-A1325 VanDerWaalsContact O-N 3.15Å; Y1322-A1325 PolarHBondContact O-N 3.45Å; A1325-N1329 WeakPolarHBondContact O-CB 3.15Å; A1325-N1329 PolarHBondContact O-N 2.67Å; A1325-N1329 VanDerWaalsContact O-N 3.16Å |
| 1326 | C | 88.7 | Confident | 89.3 | Confident | 7 Ų | 7 | 46.5 Ų | 46.5 | 5% | 0.047 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.7 | -43.1 | 172.8 | -61.2 | 0 | 0 | 0 | 0 | 111.7 | L1312 Y1322 V1323 A1328 N1329 I1330 | L1312-C1326 HydrophobicContact CD1-CB 3.53Å; Y1322-C1326 PolarHBondContact O-N 3.2Å; Y1322-C1326 PolarHBondContact O-SG 3.44Å; V1323-C1326 PolarHBondContact O-N 3.21Å; C1326-A1328 VanDerWaalsContact C-N 3.29Å; C1326-A1328 PolarHBondContact O-N 3.18Å; C1326-N1329 PolarHBondContact O-N 2.97Å; C1326-I1330 HydrophobicContact CB-CD1 4.01Å; C1326-I1330 WeakPolarHBondContact O-CA 3.34Å; C1326-I1330 VanDerWaalsContact O-CB 3.3Å; C1326-I1330 WeakPolarHBondContact O-CB 3.48Å; C1326-I1330 PolarHBondContact O-N 3.12Å |
| 1327 | E | 90.2 | Very high | 89.5 | Confident | 109 Ų | 109 | 48.1 Ų | 48.1 | 51% | 0.509 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.7 | -36 | 178.2 | -171.4 | 165 | -151.8 | 0 | 0 | 112.8 | V1309 V1323 A1324 | V1309-E1327 HydrophobicContact CG2-CB 3.63Å; V1309-E1327 HydrophobicContact CG2-CG 3.73Å; V1323-E1327 WeakPolarHBondContact O-CB 3.44Å; V1323-E1327 PolarHBondContact O-N 3.31Å; A1324-E1327 PolarHBondContact O-N 3.35Å |
| 1328 | A | 89.1 | Confident | 89.6 | Confident | 73 Ų | 73 | 51.2 Ų | 51.2 | 60% | 0.603 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -75 | -40.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A1324 C1326 | A1324-A1328 WeakPolarHBondContact O-CB 3.11Å; A1324-A1328 PolarHBondContact O-N 3.44Å; C1326-A1328 VanDerWaalsContact C-N 3.29Å; C1326-A1328 PolarHBondContact O-N 3.18Å |
| 1329 | N | 87.5 | Confident | 89.5 | Confident | 77 Ų | 77 | 51.8 Ų | 51.8 | 41% | 0.412 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -100.2 | -30.9 | -168.1 | -62.7 | -9.4 | 0 | 0 | 0 | 113.2 | A1325 C1326 E1347 L1348 | A1325-N1329 WeakPolarHBondContact O-CB 3.15Å; A1325-N1329 PolarHBondContact O-N 2.67Å; A1325-N1329 VanDerWaalsContact O-N 3.16Å; C1326-N1329 PolarHBondContact O-N 2.97Å; N1329-E1347 PolarHBondContact ND2-O 3.1Å; N1329-L1348 HydrophobicContact CB-CD2 4.19Å |
| 1330 | I | 90.2 | Very high | 89.5 | Confident | 5 Ų | 5 | 51.4 Ų | 51.4 | 3% | 0.026 | 30% | 0.304 | C | S | . | . | trans | -104.4 | 123.5 | -174.4 | -61.8 | 162.2 | 0 | 0 | 0 | 110.9 | S1305 L1308 C1326 S1332 M1335 L1336 L1339 L1348 | S1305-I1330 WeakPolarHBondContact CB-O 3.4Å; S1305-I1330 PolarHBondContact OG-O 2.9Å; L1308-I1330 HydrophobicContact CD1-CG2 3.65Å; C1326-I1330 HydrophobicContact CB-CD1 4.01Å; C1326-I1330 WeakPolarHBondContact O-CA 3.34Å; C1326-I1330 VanDerWaalsContact O-CB 3.3Å; C1326-I1330 WeakPolarHBondContact O-CB 3.48Å; C1326-I1330 PolarHBondContact O-N 3.12Å; I1330-S1332 VanDerWaalsContact CG2-O 3.25Å; I1330-S1332 WeakPolarHBondContact CG2-O 3.28Å; I1330-M1335 HydrophobicContact CG2-CB 4.42Å; I1330-L1336 HydrophobicContact CD1-CB 4.02Å; I1330-L1336 HydrophobicContact CD1-CD1 3.72Å; I1330-L1336 HydrophobicContact CD1-CD2 4.42Å; I1330-L1336 HydrophobicContact CD1-CG 4.24Å; I1330-L1336 HydrophobicContact CG2-CB 3.98Å; I1330-L1339 HydrophobicContact CD1-CD1 4.26Å; I1330-L1348 HydrophobicContact CD1-CD1 4Å; I1330-L1348 HydrophobicContact CD1-CD2 3.77Å; I1330-L1348 HydrophobicContact CD1-CG 4.45Å; I1330-L1348 HydrophobicContact CG1-CD2 4.2Å | ||
| 1331 | K | 90 | Very high | 89.3 | Confident | 160 Ų | 160 | 49.2 Ų | 49.2 | 70% | 0.696 | 28% | 0.28 | S | S | * | . | trans | -99.3 | -29.8 | -178.8 | -61 | 175.4 | -173.4 | 169 | 0 | 113.4 | S1305 M1335 | S1305-K1331 PolarHBondContact N-O 2.97Å; K1331-M1335 HydrophobicContact CB-CE 4.08Å; K1331-M1335 HydrophobicContact CB-SD 4.3Å; K1331-M1335 HydrophobicContact CG-CE 4.48Å; K1331-M1335 PolarHBondContact N-SD 3.14Å | ||
| 1332 | S | 90.4 | Very high | 89.4 | Confident | 39 Ų | 39 | 46.3 Ų | 46.3 | 27% | 0.273 | 27% | 0.273 | S | S | . | . | B | Isolated β-bridge | trans | -143.1 | 158.7 | -177 | 61.1 | 0 | 0 | 0 | 0 | 112.4 | W1303 I1330 A1334 M1335 L1336 | W1303-S1332 CarbonylContact O-C 3.54Å; W1303-S1332 VanDerWaalsContact O-CA 3.28Å; W1303-S1332 WeakPolarHBondContact O-CA 3.37Å; I1330-S1332 VanDerWaalsContact CG2-O 3.25Å; I1330-S1332 WeakPolarHBondContact CG2-O 3.28Å; S1332-A1334 VanDerWaalsContact C-N 3.3Å; S1332-A1334 PolarHBondContact O-N 2.94Å; S1332-M1335 WeakPolarHBondContact O-CB 3.33Å; S1332-M1335 PolarHBondContact O-N 3.08Å; S1332-L1336 PolarHBondContact O-N 3.27Å |
| 1333 | G | 91.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.4 | -29.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | F1300 W1303 M1335 L1336 A1337 | F1300-G1333 WeakPolarHBondContact O-CA 3.36Å; W1303-G1333 PolarHBondContact O-N 3.08Å; G1333-M1335 VanDerWaalsContact C-N 3.31Å; G1333-M1335 PolarHBondContact O-N 3.25Å; G1333-L1336 PolarHBondContact O-N 3.45Å; G1333-A1337 WeakPolarHBondContact O-CB 3.35Å; G1333-A1337 PolarHBondContact O-N 3.48Å |
| 1334 | A | 89.5 | Confident | 89.1 | Confident | 41 Ų | 41 | 47.6 Ų | 47.6 | 34% | 0.339 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58.2 | -43.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | T1301 S1332 L1336 A1337 S1338 | T1301-A1334 HydrophobicContact CG2-CB 4.27Å; T1301-A1334 WeakPolarHBondContact O-CB 3.46Å; T1301-A1334 PolarHBondContact O-N 3.3Å; S1332-A1334 VanDerWaalsContact C-N 3.3Å; S1332-A1334 PolarHBondContact O-N 2.94Å; A1334-L1336 VanDerWaalsContact C-N 3.28Å; A1334-L1336 PolarHBondContact O-N 3.41Å; A1334-A1337 WeakPolarHBondContact O-CB 3.4Å; A1334-A1337 PolarHBondContact O-N 2.92Å; A1334-A1337 VanDerWaalsContact O-N 3.1Å; A1334-S1338 PolarHBondContact O-N 3.27Å; A1334-S1338 PolarHBondContact O-OG 3.26Å |
| 1335 | M | 87.9 | Confident | 89 | Confident | 71 Ų | 71 | 49.7 Ų | 49.7 | 35% | 0.35 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.8 | -28.6 | 179.2 | -174.7 | -175.9 | -67.2 | 0 | 0 | 112.7 | I1330 K1331 S1332 G1333 S1338 L1339 | I1330-M1335 HydrophobicContact CG2-CB 4.42Å; K1331-M1335 HydrophobicContact CB-CE 4.08Å; K1331-M1335 HydrophobicContact CB-SD 4.3Å; K1331-M1335 HydrophobicContact CG-CE 4.48Å; K1331-M1335 PolarHBondContact N-SD 3.14Å; S1332-M1335 WeakPolarHBondContact O-CB 3.33Å; S1332-M1335 PolarHBondContact O-N 3.08Å; G1333-M1335 VanDerWaalsContact C-N 3.31Å; G1333-M1335 PolarHBondContact O-N 3.25Å; M1335-S1338 PolarHBondContact O-OG 2.93Å; M1335-L1339 WeakPolarHBondContact O-CD2 3.49Å; M1335-L1339 VanDerWaalsContact O-CG 3.29Å; M1335-L1339 WeakPolarHBondContact O-CG 3.44Å |
| 1336 | L | 90.8 | Very high | 88.9 | Confident | 5 Ų | 5 | 56.2 Ų | 56.2 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -79.4 | -33.3 | 171 | 175.7 | 54.2 | 0 | 0 | 0 | 112.4 | F1300 L1308 W1311 I1330 S1332 G1333 A1334 S1338 L1339 L1359 V1363 | F1300-L1336 HydrophobicContact CZ-CD2 4.13Å; L1308-L1336 HydrophobicContact CD2-CD2 4.49Å; W1311-L1336 HydrophobicContact CZ3-CD2 3.86Å; I1330-L1336 HydrophobicContact CD1-CB 4.02Å; I1330-L1336 HydrophobicContact CD1-CD1 3.72Å; I1330-L1336 HydrophobicContact CD1-CD2 4.42Å; I1330-L1336 HydrophobicContact CD1-CG 4.24Å; I1330-L1336 HydrophobicContact CG2-CB 3.98Å; S1332-L1336 PolarHBondContact O-N 3.27Å; G1333-L1336 PolarHBondContact O-N 3.45Å; A1334-L1336 VanDerWaalsContact C-N 3.28Å; A1334-L1336 PolarHBondContact O-N 3.41Å; L1336-S1338 VanDerWaalsContact C-N 3.3Å; L1336-S1338 PolarHBondContact O-N 2.91Å; L1336-L1339 HydrophobicContact CD1-CD1 4.26Å; L1336-L1359 HydrophobicContact CD1-CD1 4.27Å; L1336-L1359 HydrophobicContact CD1-CD2 4.07Å; L1336-L1359 HydrophobicContact CD1-CG 4.29Å; L1336-V1363 HydrophobicContact CD1-CG2 4.22Å; L1336-V1363 HydrophobicContact CD2-CG2 3.98Å; L1336-V1363 HydrophobicContact CG-CG2 3.8Å |
| 1337 | A | 90 | Very high | 88.5 | Confident | 34 Ų | 34 | 61.1 Ų | 61.1 | 28% | 0.281 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -69.2 | -26.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | F1300 G1333 A1334 V1363 L1367 | F1300-A1337 HydrophobicContact CE1-CB 4.5Å; G1333-A1337 WeakPolarHBondContact O-CB 3.35Å; G1333-A1337 PolarHBondContact O-N 3.48Å; A1334-A1337 WeakPolarHBondContact O-CB 3.4Å; A1334-A1337 PolarHBondContact O-N 2.92Å; A1334-A1337 VanDerWaalsContact O-N 3.1Å; A1337-V1363 HydrophobicContact CB-CG1 4.33Å; A1337-L1367 HydrophobicContact CB-CD1 4.03Å; A1337-L1367 HydrophobicContact CB-CD2 4.36Å |
| 1338 | S | 89.4 | Confident | 88.3 | Confident | 74 Ų | 74 | 56.2 Ų | 56.2 | 52% | 0.517 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -5.8 | -178.7 | 60.4 | 0 | 0 | 0 | 0 | 115.5 | A1334 M1335 L1336 S1340 | A1334-S1338 PolarHBondContact O-N 3.27Å; A1334-S1338 PolarHBondContact O-OG 3.26Å; M1335-S1338 PolarHBondContact O-OG 2.93Å; L1336-S1338 VanDerWaalsContact C-N 3.3Å; L1336-S1338 PolarHBondContact O-N 2.91Å; S1338-S1340 PolarHBondContact O-N 3.45Å |
| 1339 | L | 88.9 | Confident | 88.2 | Confident | 23 Ų | 23 | 54.6 Ų | 54.6 | 12% | 0.12 | 29% | 0.29 | C | S | . | . | trans | -71.8 | 128.2 | -177.3 | -58.7 | -175.7 | 0 | 0 | 0 | 111.8 | I1330 M1335 L1336 D1343 I1344 L1348 | I1330-L1339 HydrophobicContact CD1-CD1 4.26Å; M1335-L1339 WeakPolarHBondContact O-CD2 3.49Å; M1335-L1339 VanDerWaalsContact O-CG 3.29Å; M1335-L1339 WeakPolarHBondContact O-CG 3.44Å; L1336-L1339 HydrophobicContact CD1-CD1 4.26Å; L1339-D1343 HydrophobicContact CB-CB 4.31Å; L1339-D1343 HydrophobicContact CD2-CB 4.28Å; L1339-I1344 HydrophobicContact CB-CD1 4.31Å; L1339-I1344 HydrophobicContact CB-CG1 3.66Å; L1339-I1344 HydrophobicContact CD1-CG1 4.14Å; L1339-L1348 HydrophobicContact CD1-CD1 3.68Å; L1339-L1348 HydrophobicContact CD1-CG 4.05Å | ||
| 1340 | S | 88.1 | Confident | 88.2 | Confident | 26 Ų | 26 | 51 Ų | 51 | 18% | 0.182 | 27% | 0.271 | C | S | . | . | trans | -70.6 | 167.3 | 171.5 | 80 | 0 | 0 | 0 | 0 | 111.8 | S1338 Q1342 D1343 I1344 | S1338-S1340 PolarHBondContact O-N 3.45Å; S1340-Q1342 PolarHBondContact O-N 2.74Å; S1340-Q1342 PolarHBondContact OG-N 2.9Å; S1340-Q1342 VanDerWaalsContact OG-N 3.12Å; S1340-D1343 WeakPolarHBondContact CB-OD2 2.78Å; S1340-D1343 PolarHBondContact N-OD2 3.22Å; S1340-D1343 VanDerWaalsContact N-OD2 3.08Å; S1340-D1343 PolarHBondContact O-N 3.35Å; S1340-D1343 VanDerWaalsContact O-N 3.08Å; S1340-D1343 PolarHBondContact OG-N 2.88Å; S1340-D1343 VanDerWaalsContact OG-N 3.16Å; S1340-D1343 PolarHBondContact OG-OD2 2.9Å; S1340-I1344 VanDerWaalsContact O-CG1 3.31Å; S1340-I1344 WeakPolarHBondContact O-CG1 3.47Å; S1340-I1344 PolarHBondContact O-N 2.96Å | ||
| 1341 | E | 85.7 | Confident | 88.1 | Confident | 35 Ų | 35 | 61 Ų | 61 | 16% | 0.164 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -54.2 | -31.5 | 169.3 | 178.7 | 69.4 | -172.9 | 0 | 0 | 112.1 | Q1345 R1356 R1360 Y1598 | E1341-Q1345 PolarHBondContact O-N 3.44Å; E1341-R1356 IonicContact OE1-CZ 2.67Å; E1341-R1356 IonicContact OE1-NE 3.17Å; E1341-R1356 PolarHBondContact OE1-NE 3.12Å; E1341-R1356 IonicContact OE1-NH2 3.74Å; E1341-R1356 PolarHBondContact OE1-NH2 3.02Å; E1341-R1356 IonicContact OE2-NE 3.93Å; E1341-R1360 IonicContact OE1-NH2 2.76Å; E1341-R1360 IonicContact OE2-CZ 2.67Å; E1341-R1360 IonicContact OE2-NE 3.93Å; E1341-R1360 PolarHBondContact OE2-NE 2.91Å; E1341-R1360 IonicContact OE2-NH2 3.13Å; E1341-R1360 PolarHBondContact OE2-NH2 3.24Å; E1341-Y1598 HydrophobicContact CB-CD1 4.28Å; E1341-Y1598 HydrophobicContact CB-CE1 4.14Å; E1341-Y1598 HydrophobicContact CG-CE1 4.33Å |
| 1342 | Q | 87.6 | Confident | 88.1 | Confident | 99 Ų | 99 | 54.9 Ų | 54.9 | 46% | 0.463 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -75.4 | -37.2 | 177.2 | -54.2 | -172.4 | 37.4 | 0 | 0 | 111.9 | S1340 Q1345 R1346 | S1340-Q1342 PolarHBondContact O-N 2.74Å; S1340-Q1342 PolarHBondContact OG-N 2.9Å; S1340-Q1342 VanDerWaalsContact OG-N 3.12Å; Q1342-Q1345 CarbonylContact O-C 3.58Å; Q1342-Q1345 WeakPolarHBondContact O-CB 3.5Å; Q1342-Q1345 PolarHBondContact O-N 2.9Å; Q1342-R1346 WeakPolarHBondContact O-CB 3.49Å; Q1342-R1346 VanDerWaalsContact O-CG 3.3Å; Q1342-R1346 WeakPolarHBondContact O-CG 3.34Å; Q1342-R1346 PolarHBondContact O-N 3.48Å; Q1342-R1346 VanDerWaalsContact OE1-CZ 3.24Å |
| 1343 | D | 87.9 | Confident | 88.1 | Confident | 42 Ų | 42 | 55.1 Ų | 55.1 | 23% | 0.225 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -78.1 | -37.3 | -176.6 | -48.6 | -44.1 | 0 | 0 | 0 | 111 | L1339 S1340 Q1345 R1346 E1347 L1348 | L1339-D1343 HydrophobicContact CB-CB 4.31Å; L1339-D1343 HydrophobicContact CD2-CB 4.28Å; S1340-D1343 WeakPolarHBondContact CB-OD2 2.78Å; S1340-D1343 PolarHBondContact N-OD2 3.22Å; S1340-D1343 VanDerWaalsContact N-OD2 3.08Å; S1340-D1343 PolarHBondContact O-N 3.35Å; S1340-D1343 VanDerWaalsContact O-N 3.08Å; S1340-D1343 PolarHBondContact OG-N 2.88Å; S1340-D1343 VanDerWaalsContact OG-N 3.16Å; S1340-D1343 PolarHBondContact OG-OD2 2.9Å; D1343-Q1345 PolarHBondContact O-N 3.49Å; D1343-R1346 PolarHBondContact O-N 2.89Å; D1343-R1346 IonicContact OD1-NH1 2.62Å; D1343-E1347 HydrophobicContact CB-CG 4.28Å; D1343-E1347 WeakPolarHBondContact O-CA 3.39Å; D1343-E1347 WeakPolarHBondContact O-CB 3.48Å; D1343-E1347 PolarHBondContact O-N 3.29Å; D1343-L1348 PolarHBondContact O-N 3.33Å |
| 1344 | I | 89.1 | Confident | 88.2 | Confident | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.015 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.3 | -33.4 | 167.4 | -61 | 171 | 0 | 0 | 0 | 110.7 | L1339 S1340 L1348 I1350 R1356 L1359 R1360 | L1339-I1344 HydrophobicContact CB-CD1 4.31Å; L1339-I1344 HydrophobicContact CB-CG1 3.66Å; L1339-I1344 HydrophobicContact CD1-CG1 4.14Å; S1340-I1344 VanDerWaalsContact O-CG1 3.31Å; S1340-I1344 WeakPolarHBondContact O-CG1 3.47Å; S1340-I1344 PolarHBondContact O-N 2.96Å; I1344-L1348 HydrophobicContact CG2-CD1 4.35Å; I1344-L1348 WeakPolarHBondContact O-CB 3.49Å; I1344-I1350 HydrophobicContact CG2-CB 4.08Å; I1344-I1350 HydrophobicContact CG2-CD1 3.86Å; I1344-I1350 HydrophobicContact CG2-CG1 4.1Å; I1344-I1350 WeakPolarHBondContact O-CB 3.48Å; I1344-I1350 PolarHBondContact O-N 2.94Å; I1344-I1350 VanDerWaalsContact O-N 3.11Å; I1344-R1356 HydrophobicContact CB-CG 4.45Å; I1344-R1356 HydrophobicContact CG2-CB 4.04Å; I1344-R1356 HydrophobicContact CG2-CG 3.59Å; I1344-L1359 HydrophobicContact CG2-CD2 4Å; I1344-R1360 HydrophobicContact CD1-CG 3.69Å |
| 1345 | Q | 88.8 | Confident | 88.5 | Confident | 93 Ų | 93 | 53.8 Ų | 53.8 | 44% | 0.435 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -78.1 | -38.6 | 174.8 | -175.9 | 171.2 | -34.6 | 0 | 0 | 113.5 | E1341 Q1342 D1343 G1349 R1356 | E1341-Q1345 PolarHBondContact O-N 3.44Å; Q1342-Q1345 CarbonylContact O-C 3.58Å; Q1342-Q1345 WeakPolarHBondContact O-CB 3.5Å; Q1342-Q1345 PolarHBondContact O-N 2.9Å; D1343-Q1345 PolarHBondContact O-N 3.49Å; Q1345-G1349 CarbonylContact O-C 3.09Å; Q1345-G1349 WeakPolarHBondContact O-CA 3.46Å; Q1345-R1356 VanDerWaalsContact OE1-CZ 3.24Å |
| 1346 | R | 85.8 | Confident | 88.8 | Confident | 165 Ų | 165 | 51.2 Ų | 51.2 | 62% | 0.623 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -82.9 | -59.1 | -176.7 | -72.1 | 174.2 | -176.1 | 131.7 | 6.4 | 112.7 | Q1342 D1343 | Q1342-R1346 WeakPolarHBondContact O-CB 3.49Å; Q1342-R1346 VanDerWaalsContact O-CG 3.3Å; Q1342-R1346 WeakPolarHBondContact O-CG 3.34Å; Q1342-R1346 PolarHBondContact O-N 3.48Å; Q1342-R1346 VanDerWaalsContact OE1-CZ 3.24Å; D1343-R1346 PolarHBondContact O-N 2.89Å; D1343-R1346 IonicContact OD1-NH1 2.62Å |
| 1347 | E | 80.9 | Confident | 88.9 | Confident | 109 Ų | 109 | 52 Ų | 52 | 51% | 0.509 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -50.7 | -172.1 | -53.5 | -167.1 | 144.1 | 0 | 0 | 111.4 | N1329 D1343 G1349 | N1329-E1347 PolarHBondContact ND2-O 3.1Å; D1343-E1347 HydrophobicContact CB-CG 4.28Å; D1343-E1347 WeakPolarHBondContact O-CA 3.39Å; D1343-E1347 WeakPolarHBondContact O-CB 3.48Å; D1343-E1347 PolarHBondContact O-N 3.29Å; E1347-G1349 VanDerWaalsContact C-N 3.26Å; E1347-G1349 PolarHBondContact O-N 3.33Å |
| 1348 | L | 85.5 | Confident | 89.1 | Confident | 6 Ų | 6 | 50.4 Ų | 50.4 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -82.4 | -4.3 | 177.8 | -58.3 | -179.1 | 0 | 0 | 0 | 113 | N1329 I1330 L1339 D1343 I1344 I1350 L1359 | N1329-L1348 HydrophobicContact CB-CD2 4.19Å; I1330-L1348 HydrophobicContact CD1-CD1 4Å; I1330-L1348 HydrophobicContact CD1-CD2 3.77Å; I1330-L1348 HydrophobicContact CD1-CG 4.45Å; I1330-L1348 HydrophobicContact CG1-CD2 4.2Å; L1339-L1348 HydrophobicContact CD1-CD1 3.68Å; L1339-L1348 HydrophobicContact CD1-CG 4.05Å; D1343-L1348 PolarHBondContact O-N 3.33Å; I1344-L1348 HydrophobicContact CG2-CD1 4.35Å; I1344-L1348 WeakPolarHBondContact O-CB 3.49Å; L1348-I1350 HydrophobicContact CB-CD1 4.04Å; L1348-I1350 HydrophobicContact CB-CG1 3.73Å; L1348-I1350 HydrophobicContact CD1-CD1 4.33Å; L1348-I1350 WeakPolarHBondContact O-CG1 3.49Å; L1348-I1350 PolarHBondContact O-N 2.83Å; L1348-L1359 HydrophobicContact CD1-CD2 3.87Å |
| 1349 | G | 86.2 | Confident | 89.3 | Confident | 40 Ų | 40 | 47 Ų | 47 | 41% | 0.412 | 22% | 0.224 | S | C | . | . | trans | 65.6 | 16.4 | 177 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q1345 E1347 R1351 | Q1345-G1349 CarbonylContact O-C 3.09Å; Q1345-G1349 WeakPolarHBondContact O-CA 3.46Å; E1347-G1349 VanDerWaalsContact C-N 3.26Å; E1347-G1349 PolarHBondContact O-N 3.33Å; G1349-R1351 PolarHBondContact O-N 3.42Å | ||
| 1350 | I | 89.2 | Confident | 89.5 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | trans | -79.6 | 84.4 | -170.9 | -48.2 | -165.1 | 0 | 0 | 0 | 110.4 | Y1322 I1344 L1348 H1355 R1356 L1359 | Y1322-I1350 HydrophobicContact CD1-CD1 3.97Å; Y1322-I1350 HydrophobicContact CD1-CG1 3.79Å; Y1322-I1350 HydrophobicContact CE1-CB 3.99Å; Y1322-I1350 HydrophobicContact CE1-CD1 4.11Å; Y1322-I1350 HydrophobicContact CE1-CG1 3.57Å; Y1322-I1350 HydrophobicContact CE1-CG2 3.91Å; Y1322-I1350 HydrophobicContact CG-CD1 4.47Å; I1344-I1350 HydrophobicContact CG2-CB 4.08Å; I1344-I1350 HydrophobicContact CG2-CD1 3.86Å; I1344-I1350 HydrophobicContact CG2-CG1 4.1Å; I1344-I1350 WeakPolarHBondContact O-CB 3.48Å; I1344-I1350 PolarHBondContact O-N 2.94Å; I1344-I1350 VanDerWaalsContact O-N 3.11Å; L1348-I1350 HydrophobicContact CB-CD1 4.04Å; L1348-I1350 HydrophobicContact CB-CG1 3.73Å; L1348-I1350 HydrophobicContact CD1-CD1 4.33Å; L1348-I1350 WeakPolarHBondContact O-CG1 3.49Å; L1348-I1350 PolarHBondContact O-N 2.83Å; I1350-H1355 HydrophobicContact CG2-CB 3.44Å; I1350-H1355 VanDerWaalsContact CG2-CB 3.44Å; I1350-R1356 HydrophobicContact CB-CG 3.79Å; I1350-R1356 HydrophobicContact CG2-CG 3.52Å; I1350-R1356 VanDerWaalsContact O-CD 3.22Å; I1350-R1356 WeakPolarHBondContact O-CD 3.45Å; I1350-R1356 WeakPolarHBondContact O-CG 3.3Å; I1350-R1356 PolarHBondContact O-NH1 3.42Å; I1350-L1359 HydrophobicContact CD1-CD2 3.9Å | ||
| 1351 | R | 86.8 | Confident | 89.7 | Confident | 214 Ų | 214 | 49.2 Ų | 49.2 | 81% | 0.808 | 23% | 0.229 | S | C | * | . | trans | -69.2 | -32.7 | -175.5 | -64.9 | -173.6 | -179 | -163.9 | -1.2 | 115.2 | G1349 R1356 | G1349-R1351 PolarHBondContact O-N 3.42Å; R1351-R1356 PolarHBondContact O-NH1 2.89Å | ||
| 1352 | N | 89.9 | Confident | 89.9 | Confident | 32 Ų | 32 | 47.6 Ų | 47.6 | 17% | 0.171 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -76 | 121.2 | 180 | -176.7 | -9.1 | 0 | 0 | 0 | 110.3 | L1354 H1355 R1356 | N1352-L1354 VanDerWaalsContact C-N 3.27Å; N1352-L1354 PolarHBondContact O-N 2.94Å; N1352-L1354 PolarHBondContact OD1-N 2.69Å; N1352-H1355 HydrophobicContact CB-CB 4.23Å; N1352-H1355 PolarHBondContact ND2-CD2 3.41Å; N1352-H1355 PolarHBondContact ND2-NE2 2.88Å; N1352-H1355 WeakPolarHBondContact O-CB 3.34Å; N1352-H1355 PolarHBondContact O-N 3.16Å; N1352-H1355 VanDerWaalsContact O-N 3.08Å; N1352-R1356 PolarHBondContact O-N 2.99Å |
| 1353 | P | 90.2 | Very high | 90.1 | Very high | 43 Ų | 43 | 43.4 Ų | 43.4 | 28% | 0.279 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -58.7 | -36 | 179.6 | 24.2 | -34.9 | 0 | 0 | 0 | 113 | H1355 R1356 L1357 | P1353-H1355 VanDerWaalsContact C-N 3.26Å; P1353-H1355 PolarHBondContact O-N 2.71Å; P1353-R1356 PolarHBondContact O-N 3.21Å; P1353-R1356 VanDerWaalsContact O-N 3.14Å; P1353-L1357 WeakPolarHBondContact O-CB 3.3Å; P1353-L1357 PolarHBondContact O-N 2.81Å |
| 1354 | L | 94.2 | Very high | 90 | Very high | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.8 | -29.1 | 178.4 | -68.2 | -177.4 | 0 | 0 | 0 | 112.4 | N1352 L1357 K1358 C1429 M1435 L1439 D1443 H1447 L1448 | N1352-L1354 VanDerWaalsContact C-N 3.27Å; N1352-L1354 PolarHBondContact O-N 2.94Å; N1352-L1354 PolarHBondContact OD1-N 2.69Å; L1354-L1357 HydrophobicContact CD2-CD2 4.1Å; L1354-K1358 WeakPolarHBondContact O-CB 3.36Å; L1354-K1358 PolarHBondContact O-N 3.34Å; L1354-C1429 HydrophobicContact CB-CB 4.22Å; L1354-C1429 HydrophobicContact CD1-CB 3.73Å; L1354-M1435 HydrophobicContact CB-CE 3.85Å; L1354-M1435 HydrophobicContact CD2-CE 4.24Å; L1354-M1435 WeakPolarHBondContact O-CE 3.43Å; L1354-L1439 HydrophobicContact CD2-CD2 3.76Å; L1354-D1443 HydrophobicContact CD2-CB 4.21Å; L1354-H1447 HydrophobicContact CD1-CB 3.66Å; L1354-H1447 HydrophobicContact CG-CB 4.47Å; L1354-L1448 HydrophobicContact CD1-CD2 3.91Å; L1354-L1448 HydrophobicContact CD1-CG 4.17Å |
| 1355 | H | 94.8 | Very high | 89.9 | Confident | 12 Ų | 12 | 49.2 Ų | 49.2 | 6% | 0.056 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -74 | -33.4 | 175.1 | -61.3 | 179.3 | 0 | 0 | 0 | 111.9 | Y1322 I1350 N1352 P1353 L1359 E1428 C1429 | Y1322-H1355 HydrophobicContact CE2-CB 4.2Å; Y1322-H1355 AromaticContact CE2-ND1 3.35Å; Y1322-H1355 WeakPolarHBondContact CE2-ND1 3.5Å; Y1322-H1355 AromaticContact CZ-ND1 3.52Å; Y1322-H1355 PolarHBondContact OH-ND1 3.28Å; I1350-H1355 HydrophobicContact CG2-CB 3.44Å; I1350-H1355 VanDerWaalsContact CG2-CB 3.44Å; N1352-H1355 HydrophobicContact CB-CB 4.23Å; N1352-H1355 PolarHBondContact ND2-CD2 3.41Å; N1352-H1355 PolarHBondContact ND2-NE2 2.88Å; N1352-H1355 WeakPolarHBondContact O-CB 3.34Å; N1352-H1355 PolarHBondContact O-N 3.16Å; N1352-H1355 VanDerWaalsContact O-N 3.08Å; P1353-H1355 VanDerWaalsContact C-N 3.26Å; P1353-H1355 PolarHBondContact O-N 2.71Å; H1355-L1359 PolarHBondContact O-N 3.12Å; H1355-E1428 PolarHBondContact CE1-O 3.49Å; H1355-E1428 PolarHBondContact NE2-O 2.81Å; H1355-C1429 VanDerWaalsContact CD2-C 3.48Å; H1355-C1429 PolarHBondContact CD2-O 3.32Å; H1355-C1429 VanDerWaalsContact CD2-O 3.28Å; H1355-C1429 VanDerWaalsContact NE2-C 3.27Å; H1355-C1429 VanDerWaalsContact NE2-CA 3.29Å; H1355-C1429 WeakPolarHBondContact NE2-CA 3.35Å |
| 1356 | R | 94.6 | Very high | 89.8 | Confident | 16 Ų | 16 | 44.8 Ų | 44.8 | 6% | 0.06 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -71.4 | -42.7 | 173.8 | -59 | -162 | -63.5 | -91 | 2.8 | 111.6 | E1341 I1344 Q1345 I1350 R1351 N1352 P1353 K1358 L1359 R1360 | E1341-R1356 IonicContact OE1-CZ 2.67Å; E1341-R1356 IonicContact OE1-NE 3.17Å; E1341-R1356 PolarHBondContact OE1-NE 3.12Å; E1341-R1356 IonicContact OE1-NH2 3.74Å; E1341-R1356 PolarHBondContact OE1-NH2 3.02Å; E1341-R1356 IonicContact OE2-NE 3.93Å; I1344-R1356 HydrophobicContact CB-CG 4.45Å; I1344-R1356 HydrophobicContact CG2-CB 4.04Å; I1344-R1356 HydrophobicContact CG2-CG 3.59Å; Q1345-R1356 VanDerWaalsContact OE1-CZ 3.24Å; I1350-R1356 HydrophobicContact CB-CG 3.79Å; I1350-R1356 HydrophobicContact CG2-CG 3.52Å; I1350-R1356 VanDerWaalsContact O-CD 3.22Å; I1350-R1356 WeakPolarHBondContact O-CD 3.45Å; I1350-R1356 WeakPolarHBondContact O-CG 3.3Å; I1350-R1356 PolarHBondContact O-NH1 3.42Å; R1351-R1356 PolarHBondContact O-NH1 2.89Å; N1352-R1356 PolarHBondContact O-N 2.99Å; P1353-R1356 PolarHBondContact O-N 3.21Å; P1353-R1356 VanDerWaalsContact O-N 3.14Å; R1356-K1358 VanDerWaalsContact C-N 3.32Å; R1356-K1358 PolarHBondContact O-N 3.07Å; R1356-L1359 PolarHBondContact O-N 3.12Å; R1356-R1360 PolarHBondContact O-N 2.57Å |
| 1357 | L | 94.2 | Very high | 89.8 | Confident | 23 Ų | 23 | 39.5 Ų | 39.5 | 12% | 0.12 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -55.2 | -47.1 | 172.1 | -179.7 | 63.1 | 0 | 0 | 0 | 111.1 | P1353 L1354 L1359 R1360 L1361 H1438 | P1353-L1357 WeakPolarHBondContact O-CB 3.3Å; P1353-L1357 PolarHBondContact O-N 2.81Å; L1354-L1357 HydrophobicContact CD2-CD2 4.1Å; L1357-L1359 PolarHBondContact O-N 3.17Å; L1357-R1360 PolarHBondContact O-N 3.16Å; L1357-L1361 HydrophobicContact CD1-CD1 3.88Å; L1357-L1361 HydrophobicContact CD1-CG 4.02Å; L1357-L1361 HydrophobicContact CG-CD1 3.9Å; L1357-L1361 HydrophobicContact CG-CG 4.4Å; L1357-L1361 WeakPolarHBondContact O-CB 3.41Å; L1357-L1361 VanDerWaalsContact O-CG 3.31Å; L1357-L1361 WeakPolarHBondContact O-CG 3.34Å; L1357-L1361 PolarHBondContact O-N 2.93Å; L1357-H1438 HydrophobicContact CD1-CB 4.43Å; L1357-H1438 HydrophobicContact CD2-CB 4.2Å |
| 1358 | K | 93.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -54.7 | -49.8 | 174.8 | -168 | -179.7 | -174 | 175 | 0 | 112.5 | V1316 G1317 M1318 L1354 R1356 A1362 H1406 L1430 D1432 M1435 | V1316-K1358 HydrophobicContact CG1-CG 4.41Å; V1316-K1358 WeakPolarHBondContact O-CE 3.5Å; V1316-K1358 PolarHBondContact O-NZ 3.31Å; G1317-K1358 PolarHBondContact O-NZ 2.97Å; M1318-K1358 HydrophobicContact CE-CB 4.06Å; M1318-K1358 HydrophobicContact CE-CD 3.86Å; M1318-K1358 HydrophobicContact CE-CG 4Å; M1318-K1358 HydrophobicContact SD-CD 4.25Å; L1354-K1358 WeakPolarHBondContact O-CB 3.36Å; L1354-K1358 PolarHBondContact O-N 3.34Å; R1356-K1358 VanDerWaalsContact C-N 3.32Å; R1356-K1358 PolarHBondContact O-N 3.07Å; K1358-A1362 WeakPolarHBondContact O-CB 3.42Å; K1358-A1362 PolarHBondContact O-N 2.97Å; K1358-A1362 VanDerWaalsContact O-N 3.07Å; K1358-H1406 PolarHBondContact NZ-ND1 2.87Å; K1358-L1430 HydrophobicContact CD-CB 4.03Å; K1358-L1430 VanDerWaalsContact CD-O 3.28Å; K1358-L1430 WeakPolarHBondContact CD-O 3.41Å; K1358-L1430 VanDerWaalsContact CE-O 3.3Å; K1358-L1430 WeakPolarHBondContact CE-O 3.41Å; K1358-L1430 PolarHBondContact NZ-O 2.6Å; K1358-D1432 WeakPolarHBondContact CE-OD2 3.46Å; K1358-M1435 HydrophobicContact CB-CE 4.35Å; K1358-M1435 HydrophobicContact CB-CG 4.29Å; K1358-M1435 HydrophobicContact CB-SD 3.48Å; K1358-M1435 WeakPolarHBondContact CB-SD 3.3Å; K1358-M1435 HydrophobicContact CD-SD 4.11Å; K1358-M1435 HydrophobicContact CG-CG 4.48Å; K1358-M1435 HydrophobicContact CG-SD 3.67Å |
| 1359 | L | 93.2 | Very high | 89.6 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.5 | -48.9 | -178.9 | -175.6 | 58.5 | 0 | 0 | 0 | 110.9 | L1312 M1318 L1336 I1344 L1348 I1350 H1355 R1356 L1357 A1362 V1363 | L1312-L1359 HydrophobicContact CD2-CD1 3.63Å; M1318-L1359 HydrophobicContact CE-CB 3.84Å; M1318-L1359 HydrophobicContact CE-CD1 4.28Å; L1336-L1359 HydrophobicContact CD1-CD1 4.27Å; L1336-L1359 HydrophobicContact CD1-CD2 4.07Å; L1336-L1359 HydrophobicContact CD1-CG 4.29Å; I1344-L1359 HydrophobicContact CG2-CD2 4Å; L1348-L1359 HydrophobicContact CD1-CD2 3.87Å; I1350-L1359 HydrophobicContact CD1-CD2 3.9Å; H1355-L1359 PolarHBondContact O-N 3.12Å; R1356-L1359 PolarHBondContact O-N 3.12Å; L1357-L1359 PolarHBondContact O-N 3.17Å; L1359-A1362 PolarHBondContact O-N 3.08Å; L1359-V1363 HydrophobicContact CD1-CG2 4.28Å; L1359-V1363 HydrophobicContact CG-CG2 4.5Å; L1359-V1363 WeakPolarHBondContact O-CB 3.29Å; L1359-V1363 VanDerWaalsContact O-CG2 3.28Å; L1359-V1363 WeakPolarHBondContact O-CG2 3.34Å; L1359-V1363 PolarHBondContact O-N 2.88Å |
| 1360 | R | 92.8 | Very high | 89.5 | Confident | 66 Ų | 66 | 36.1 Ų | 36.1 | 25% | 0.249 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.1 | -43.9 | 179.5 | -74.3 | -168.9 | -74.5 | 105.7 | -8.4 | 113 | E1341 I1344 R1356 L1357 V1363 H1364 Y1598 | E1341-R1360 IonicContact OE1-NH2 2.76Å; E1341-R1360 IonicContact OE2-CZ 2.67Å; E1341-R1360 IonicContact OE2-NE 3.93Å; E1341-R1360 PolarHBondContact OE2-NE 2.91Å; E1341-R1360 IonicContact OE2-NH2 3.13Å; E1341-R1360 PolarHBondContact OE2-NH2 3.24Å; I1344-R1360 HydrophobicContact CD1-CG 3.69Å; R1356-R1360 PolarHBondContact O-N 2.57Å; L1357-R1360 PolarHBondContact O-N 3.16Å; R1360-V1363 PolarHBondContact O-N 3.35Å; R1360-H1364 WeakPolarHBondContact O-CB 3.5Å; R1360-H1364 PolarHBondContact O-N 3.42Å; R1360-Y1598 PolarHBondContact NH2-OH 2.96Å |
| 1361 | L | 92.1 | Very high | 88.9 | Confident | 30 Ų | 30 | 38.9 Ų | 38.9 | 16% | 0.157 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.5 | -41.9 | 177.3 | -69.7 | 174.5 | 0 | 0 | 0 | 111.7 | L1357 E1365 R1434 M1435 H1438 | L1357-L1361 HydrophobicContact CD1-CD1 3.88Å; L1357-L1361 HydrophobicContact CD1-CG 4.02Å; L1357-L1361 HydrophobicContact CG-CD1 3.9Å; L1357-L1361 HydrophobicContact CG-CG 4.4Å; L1357-L1361 WeakPolarHBondContact O-CB 3.41Å; L1357-L1361 VanDerWaalsContact O-CG 3.31Å; L1357-L1361 WeakPolarHBondContact O-CG 3.34Å; L1357-L1361 PolarHBondContact O-N 2.93Å; L1361-E1365 VanDerWaalsContact O-CB 3.26Å; L1361-E1365 WeakPolarHBondContact O-CB 3.44Å; L1361-E1365 PolarHBondContact O-N 3.21Å; L1361-R1434 HydrophobicContact CB-CB 4.43Å; L1361-M1435 HydrophobicContact CD1-CB 4.48Å; L1361-M1435 HydrophobicContact CD1-CG 4.09Å; L1361-H1438 HydrophobicContact CD1-CB 4.47Å |
| 1362 | A | 90.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.9 | -38.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | W1311 V1316 K1358 L1359 M1366 | W1311-A1362 HydrophobicContact CH2-CB 4.24Å; W1311-A1362 HydrophobicContact CZ2-CB 3.93Å; W1311-A1362 WeakPolarHBondContact CZ2-O 3.48Å; V1316-A1362 HydrophobicContact CG1-CB 3.86Å; V1316-A1362 HydrophobicContact CG2-CB 3.88Å; K1358-A1362 WeakPolarHBondContact O-CB 3.42Å; K1358-A1362 PolarHBondContact O-N 2.97Å; K1358-A1362 VanDerWaalsContact O-N 3.07Å; L1359-A1362 PolarHBondContact O-N 3.08Å; A1362-M1366 WeakPolarHBondContact O-CB 3.31Å; A1362-M1366 PolarHBondContact O-N 3.46Å |
| 1363 | V | 90.6 | Very high | 87.3 | Confident | 12 Ų | 12 | 31.4 Ų | 31.4 | 7% | 0.073 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.1 | -48.1 | 174.2 | 167.4 | 0 | 0 | 0 | 0 | 110.9 | F1300 W1311 L1336 A1337 L1359 R1360 M1366 L1367 | F1300-V1363 HydrophobicContact CE1-CG1 3.98Å; F1300-V1363 HydrophobicContact CE1-CG2 4.48Å; F1300-V1363 HydrophobicContact CZ-CG2 4.28Å; W1311-V1363 HydrophobicContact CH2-CG2 3.79Å; W1311-V1363 HydrophobicContact CZ3-CG2 4.35Å; L1336-V1363 HydrophobicContact CD1-CG2 4.22Å; L1336-V1363 HydrophobicContact CD2-CG2 3.98Å; L1336-V1363 HydrophobicContact CG-CG2 3.8Å; A1337-V1363 HydrophobicContact CB-CG1 4.33Å; L1359-V1363 HydrophobicContact CD1-CG2 4.28Å; L1359-V1363 HydrophobicContact CG-CG2 4.5Å; L1359-V1363 WeakPolarHBondContact O-CB 3.29Å; L1359-V1363 VanDerWaalsContact O-CG2 3.28Å; L1359-V1363 WeakPolarHBondContact O-CG2 3.34Å; L1359-V1363 PolarHBondContact O-N 2.88Å; R1360-V1363 PolarHBondContact O-N 3.35Å; V1363-M1366 PolarHBondContact O-N 3.07Å; V1363-L1367 HydrophobicContact CG1-CD1 3.85Å; V1363-L1367 WeakPolarHBondContact O-CG 3.37Å; V1363-L1367 PolarHBondContact O-N 2.98Å |
| 1364 | H | 87 | Confident | 85.9 | Confident | 134 Ų | 134 | 33.1 Ų | 33.1 | 62% | 0.62 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -62.4 | -43.8 | 179 | -178.3 | 78.7 | 0 | 0 | 0 | 112.2 | R1360 M1366 L1367 A1368 | R1360-H1364 WeakPolarHBondContact O-CB 3.5Å; R1360-H1364 PolarHBondContact O-N 3.42Å; H1364-M1366 PolarHBondContact O-N 2.95Å; H1364-L1367 PolarHBondContact O-N 2.93Å; H1364-A1368 PolarHBondContact O-N 2.86Å |
| 1365 | E | 86.4 | Confident | 83.8 | Confident | 33 Ų | 33 | 36 Ų | 36 | 15% | 0.154 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.6 | -44.1 | 173.2 | 179.6 | -171 | -128.2 | 0 | 0 | 112.1 | L1361 A1368 F1369 L1399 I1400 R1434 | L1361-E1365 VanDerWaalsContact O-CB 3.26Å; L1361-E1365 WeakPolarHBondContact O-CB 3.44Å; L1361-E1365 PolarHBondContact O-N 3.21Å; E1365-A1368 PolarHBondContact O-N 2.85Å; E1365-F1369 WeakPolarHBondContact O-CB 3.18Å; E1365-F1369 PolarHBondContact O-N 2.62Å; E1365-L1399 WeakPolarHBondContact OE1-CB 3.27Å; E1365-I1400 HydrophobicContact CG-CG1 3.75Å; E1365-I1400 PolarHBondContact OE1-N 3.16Å; E1365-R1434 VanDerWaalsContact OE2-CD 3.23Å; E1365-R1434 WeakPolarHBondContact OE2-CD 3.21Å; E1365-R1434 IonicContact OE2-CZ 3.65Å; E1365-R1434 IonicContact OE2-NE 3.01Å; E1365-R1434 IonicContact OE2-NH1 2.74Å; E1365-R1434 PolarHBondContact OE2-NH1 3.36Å |
| 1366 | M | 86.4 | Confident | 81.4 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -72.8 | -32.8 | -178.9 | -170.5 | 54.8 | 70.7 | 0 | 0 | 113 | F1300 W1303 W1311 W1315 A1362 V1363 H1364 F1369 T1370 I1400 | F1300-M1366 HydrophobicContact CB-CG 4.2Å; F1300-M1366 HydrophobicContact CD2-CB 4Å; F1300-M1366 HydrophobicContact CD2-CG 3.27Å; F1300-M1366 HydrophobicContact CE2-CB 4.23Å; F1300-M1366 HydrophobicContact CE2-CG 3.79Å; F1300-M1366 HydrophobicContact CG-CB 4.42Å; F1300-M1366 HydrophobicContact CG-CG 3.93Å; W1303-M1366 HydrophobicContact CH2-CE 3.97Å; W1303-M1366 HydrophobicContact CH2-CG 3.89Å; W1303-M1366 HydrophobicContact CH2-SD 3.53Å; W1303-M1366 VanDerWaalsContact CH2-SD 3.53Å; W1303-M1366 HydrophobicContact CZ2-CG 4.43Å; W1303-M1366 HydrophobicContact CZ2-SD 4.02Å; W1303-M1366 HydrophobicContact CZ3-CG 4.18Å; W1303-M1366 HydrophobicContact CZ3-SD 4.33Å; W1311-M1366 HydrophobicContact CZ2-CB 4.07Å; W1311-M1366 VanDerWaalsContact NE1-CE 3.31Å; W1315-M1366 HydrophobicContact CE3-CE 3.75Å; W1315-M1366 HydrophobicContact CZ3-CE 3.86Å; A1362-M1366 WeakPolarHBondContact O-CB 3.31Å; A1362-M1366 PolarHBondContact O-N 3.46Å; V1363-M1366 PolarHBondContact O-N 3.07Å; H1364-M1366 PolarHBondContact O-N 2.95Å; M1366-F1369 HydrophobicContact SD-CD1 3.79Å; M1366-T1370 HydrophobicContact CG-CG2 4.36Å; M1366-T1370 WeakPolarHBondContact O-CB 3.22Å; M1366-T1370 WeakPolarHBondContact O-CG2 3.35Å; M1366-T1370 PolarHBondContact O-N 3.29Å; M1366-T1370 PolarHBondContact O-OG1 2.86Å; M1366-T1370 HydrophobicContact SD-CG2 3.86Å; M1366-I1400 HydrophobicContact CE-CG2 3.67Å |
| 1367 | L | 85.5 | Confident | 78.4 | Confident | 54 Ų | 54 | 44.2 Ų | 44.2 | 28% | 0.283 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.1 | -52.4 | 169.5 | -76.5 | 162.6 | 0 | 0 | 0 | 110.7 | F1300 T1301 A1337 V1363 H1364 F1369 T1370 A1371 | F1300-L1367 HydrophobicContact CB-CD2 4.2Å; F1300-L1367 HydrophobicContact CD1-CD2 3.86Å; F1300-L1367 HydrophobicContact CD1-CG 3.95Å; F1300-L1367 HydrophobicContact CG-CD2 4.48Å; T1301-L1367 HydrophobicContact CG2-CD2 4.18Å; A1337-L1367 HydrophobicContact CB-CD1 4.03Å; A1337-L1367 HydrophobicContact CB-CD2 4.36Å; V1363-L1367 HydrophobicContact CG1-CD1 3.85Å; V1363-L1367 WeakPolarHBondContact O-CG 3.37Å; V1363-L1367 PolarHBondContact O-N 2.98Å; H1364-L1367 PolarHBondContact O-N 2.93Å; L1367-F1369 PolarHBondContact O-N 3.37Å; L1367-T1370 PolarHBondContact O-N 3.1Å; L1367-T1370 PolarHBondContact O-OG1 3.49Å; L1367-A1371 WeakPolarHBondContact O-CB 3.44Å; L1367-A1371 PolarHBondContact O-N 2.93Å |
| 1368 | A | 80.6 | Confident | 75.6 | Confident | 61 Ų | 61 | 49.1 Ų | 49.1 | 50% | 0.504 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60 | -43 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | H1364 E1365 S1372 | H1364-A1368 PolarHBondContact O-N 2.86Å; E1365-A1368 PolarHBondContact O-N 2.85Å; A1368-S1372 PolarHBondContact O-N 2.79Å |
| 1369 | F | 83.1 | Confident | 72.7 | Confident | 19 Ų | 19 | 56.5 Ų | 56.5 | 8% | 0.083 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.4 | -50 | 176.6 | 175.8 | -114.5 | 0 | 0 | 0 | 112.5 | I1294 E1365 M1366 L1367 A1371 S1372 L1373 A1396 I1400 | I1294-F1369 HydrophobicContact CD1-CE1 4.38Å; I1294-F1369 HydrophobicContact CG2-CE1 4.02Å; I1294-F1369 HydrophobicContact CG2-CZ 4.27Å; E1365-F1369 WeakPolarHBondContact O-CB 3.18Å; E1365-F1369 PolarHBondContact O-N 2.62Å; M1366-F1369 HydrophobicContact SD-CD1 3.79Å; L1367-F1369 PolarHBondContact O-N 3.37Å; F1369-A1371 PolarHBondContact O-N 3.24Å; F1369-S1372 WeakPolarHBondContact O-CB 3.49Å; F1369-S1372 PolarHBondContact O-N 3.22Å; F1369-S1372 VanDerWaalsContact O-N 3.14Å; F1369-S1372 PolarHBondContact O-OG 2.89Å; F1369-L1373 HydrophobicContact CD1-CD1 4.37Å; F1369-L1373 HydrophobicContact CE1-CD1 3.76Å; F1369-L1373 HydrophobicContact CE2-CD1 4.47Å; F1369-L1373 HydrophobicContact CE2-CD2 4.41Å; F1369-L1373 HydrophobicContact CE2-CG 4.46Å; F1369-L1373 HydrophobicContact CZ-CD1 3.81Å; F1369-L1373 HydrophobicContact CZ-CD2 4.31Å; F1369-L1373 HydrophobicContact CZ-CG 4.26Å; F1369-L1373 PolarHBondContact O-N 3.43Å; F1369-A1396 HydrophobicContact CD2-CB 4.5Å; F1369-A1396 HydrophobicContact CE1-CB 4.44Å; F1369-A1396 HydrophobicContact CE2-CB 3.64Å; F1369-A1396 HydrophobicContact CZ-CB 3.61Å; F1369-I1400 HydrophobicContact CB-CD1 3.86Å; F1369-I1400 HydrophobicContact CD1-CD1 4.49Å; F1369-I1400 HydrophobicContact CD1-CG2 4.12Å; F1369-I1400 HydrophobicContact CD2-CD1 3.63Å; F1369-I1400 HydrophobicContact CE1-CG2 4.46Å; F1369-I1400 HydrophobicContact CE2-CD1 4.33Å; F1369-I1400 HydrophobicContact CG-CD1 3.73Å; F1369-I1400 HydrophobicContact CG-CG2 4.36Å |
| 1370 | T | 83 | Confident | 69.7 | Low | 4 Ų | 4 | 61.9 Ų | 61.9 | 3% | 0.025 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -70.1 | -32.2 | -177.4 | 55.2 | 0 | 0 | 0 | 0 | 112.8 | F1300 W1303 M1366 L1367 S1372 L1373 T1374 | F1300-T1370 HydrophobicContact CB-CG2 4.23Å; F1300-T1370 WeakPolarHBondContact CB-OG1 3.45Å; F1300-T1370 PolarHBondContact N-OG1 3.22Å; W1303-T1370 HydrophobicContact CZ2-CG2 3.88Å; M1366-T1370 HydrophobicContact CG-CG2 4.36Å; M1366-T1370 WeakPolarHBondContact O-CB 3.22Å; M1366-T1370 WeakPolarHBondContact O-CG2 3.35Å; M1366-T1370 PolarHBondContact O-N 3.29Å; M1366-T1370 PolarHBondContact O-OG1 2.86Å; M1366-T1370 HydrophobicContact SD-CG2 3.86Å; L1367-T1370 PolarHBondContact O-N 3.1Å; L1367-T1370 PolarHBondContact O-OG1 3.49Å; T1370-S1372 VanDerWaalsContact C-N 3.29Å; T1370-S1372 PolarHBondContact O-N 3.02Å; T1370-L1373 WeakPolarHBondContact O-CB 3.47Å; T1370-L1373 PolarHBondContact O-N 3.33Å; T1370-L1373 VanDerWaalsContact O-N 3.12Å; T1370-T1374 PolarHBondContact O-N 3.27Å |
| 1371 | A | 76.7 | Confident | 66.6 | Low | 59 Ų | 59 | 64.7 Ų | 64.7 | 49% | 0.488 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.5 | -38 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1367 F1369 L1373 T1374 G1375 | L1367-A1371 WeakPolarHBondContact O-CB 3.44Å; L1367-A1371 PolarHBondContact O-N 2.93Å; F1369-A1371 PolarHBondContact O-N 3.24Å; A1371-L1373 PolarHBondContact O-N 3.34Å; A1371-T1374 PolarHBondContact O-N 3.45Å; A1371-T1374 PolarHBondContact O-OG1 2.75Å; A1371-G1375 PolarHBondContact O-N 3.4Å |
| 1372 | S | 70.9 | Confident | 63.6 | Low | 76 Ų | 76 | 71.7 Ų | 71.7 | 53% | 0.531 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67 | -21.9 | 175.7 | 81.1 | 0 | 0 | 0 | 0 | 113.9 | A1368 F1369 T1370 | A1368-S1372 PolarHBondContact O-N 2.79Å; F1369-S1372 WeakPolarHBondContact O-CB 3.49Å; F1369-S1372 PolarHBondContact O-N 3.22Å; F1369-S1372 VanDerWaalsContact O-N 3.14Å; F1369-S1372 PolarHBondContact O-OG 2.89Å; T1370-S1372 VanDerWaalsContact C-N 3.29Å; T1370-S1372 PolarHBondContact O-N 3.02Å |
| 1373 | L | 71.6 | Confident | 60.7 | Low | 14 Ų | 14 | 79.3 Ų | 79.3 | 7% | 0.073 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -83.3 | -30.4 | 176.6 | -64.3 | 177.2 | 0 | 0 | 0 | 113 | I1294 N1297 F1369 T1370 A1371 | I1294-L1373 HydrophobicContact CG2-CD1 4.04Å; N1297-L1373 HydrophobicContact CB-CB 4.29Å; N1297-L1373 PolarHBondContact ND2-O 2.85Å; F1369-L1373 HydrophobicContact CD1-CD1 4.37Å; F1369-L1373 HydrophobicContact CE1-CD1 3.76Å; F1369-L1373 HydrophobicContact CE2-CD1 4.47Å; F1369-L1373 HydrophobicContact CE2-CD2 4.41Å; F1369-L1373 HydrophobicContact CE2-CG 4.46Å; F1369-L1373 HydrophobicContact CZ-CD1 3.81Å; F1369-L1373 HydrophobicContact CZ-CD2 4.31Å; F1369-L1373 HydrophobicContact CZ-CG 4.26Å; F1369-L1373 PolarHBondContact O-N 3.43Å; T1370-L1373 WeakPolarHBondContact O-CB 3.47Å; T1370-L1373 PolarHBondContact O-N 3.33Å; T1370-L1373 VanDerWaalsContact O-N 3.12Å; A1371-L1373 PolarHBondContact O-N 3.34Å |
| 1374 | T | 62.6 | Low | 57.8 | Low | 79 Ų | 79 | 82.2 Ų | 82.2 | 49% | 0.485 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -78.2 | -22 | 179.5 | 48.9 | 0 | 0 | 0 | 0 | 113.2 | P1299 T1370 A1371 T1376 | P1299-T1374 HydrophobicContact CB-CG2 4.38Å; T1370-T1374 PolarHBondContact O-N 3.27Å; A1371-T1374 PolarHBondContact O-N 3.45Å; A1371-T1374 PolarHBondContact O-OG1 2.75Å; T1374-T1376 PolarHBondContact O-N 2.73Å |
| 1375 | G | 50.3 | Low | 55 | Low | 63 Ų | 63 | 83.7 Ų | 83.7 | 65% | 0.649 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -6.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | A1371 T1377 | A1371-G1375 PolarHBondContact O-N 3.4Å; G1375-T1377 PolarHBondContact O-N 3.35Å |
| 1376 | T | 44.2 | Very low | 52.4 | Low | 83 Ų | 83 | 88.7 Ų | 88.7 | 51% | 0.509 | 55% | 0.55 | S | S | . | * | S | Bend | trans | -88.1 | 105.7 | 179.7 | 61.3 | 0 | 0 | 0 | 0 | 111.9 | T1374 | T1374-T1376 PolarHBondContact O-N 2.73Š|
| 1377 | T | 30.7 | Very low | 49.8 | Very low | 116 Ų | 116 | 92 Ų | 92 | 71% | 0.712 | 57% | 0.574 | S | S | * | * | trans | -54 | 125.3 | 179 | 52.5 | 0 | 0 | 0 | 0 | 112.7 | G1375 N1379 | G1375-T1377 PolarHBondContact O-N 3.35Å; T1377-N1379 PolarHBondContact O-N 3.5Å | ||
| 1378 | P | 36.4 | Very low | 47.2 | Very low | 127 Ų | 127 | 94.1 Ų | 94.1 | 83% | 0.825 | 59% | 0.589 | S | S | * | * | trans | -80.4 | 83.5 | -171.1 | 32 | -36.3 | 0 | 0 | 0 | 112.8 | S1380 | P1378-S1380 PolarHBondContact O-N 3.22Š| ||
| 1379 | N | 32.1 | Very low | 45 | Very low | 155 Ų | 155 | 93.6 Ų | 93.6 | 83% | 0.829 | 58% | 0.581 | S | S | * | * | trans | -66.8 | 92.9 | 171.7 | -95.3 | -37.6 | 0 | 0 | 0 | 111.3 | T1377 T1381 | T1377-N1379 PolarHBondContact O-N 3.5Å; N1379-T1381 PolarHBondContact O-N 3.18Å; N1379-T1381 VanDerWaalsContact O-N 3.12Å | ||
| 1380 | S | 28.5 | Very low | 42.4 | Very low | 115 Ų | 115 | 99.2 Ų | 99.2 | 80% | 0.804 | 61% | 0.61 | S | S | * | * | trans | -70.4 | 100.9 | -179.7 | -177.4 | 0 | 0 | 0 | 0 | 112.1 | P1378 | P1378-S1380 PolarHBondContact O-N 3.22Š| ||
| 1381 | T | 29.2 | Very low | 40.2 | Very low | 125 Ų | 125 | 105.7 Ų | 105.7 | 77% | 0.767 | 64% | 0.637 | S | S | * | * | trans | -147.6 | 84.2 | 160.3 | -43.1 | 0 | 0 | 0 | 0 | 113.3 | N1379 | N1379-T1381 PolarHBondContact O-N 3.18Å; N1379-T1381 VanDerWaalsContact O-N 3.12Å | ||
| 1382 | K | 29 | Very low | 38.3 | Very low | 176 Ų | 176 | 106 Ų | 106 | 77% | 0.765 | 63% | 0.629 | S | S | * | * | trans | 46.8 | 114.3 | 142.8 | -63.3 | 178.3 | 179.9 | 176.3 | 0 | 119.7 | ||||
| 1383 | N | 29.6 | Very low | 36.7 | Very low | 161 Ų | 161 | 103.5 Ų | 103.5 | 86% | 0.861 | 61% | 0.609 | S | S | * | * | trans | 72 | 87.2 | 135.7 | -53.3 | 2.4 | 0 | 0 | 0 | 118.3 | ||||
| 1384 | G | 29 | Very low | 35.2 | Very low | 72 Ų | 72 | 109.7 Ų | 109.7 | 74% | 0.742 | 64% | 0.638 | S | S | * | * | trans | 166.2 | 134.1 | 160.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1385 | E | 29.3 | Very low | 33.9 | Very low | 166 Ų | 166 | 112.8 Ų | 112.8 | 78% | 0.776 | 65% | 0.65 | S | S | * | * | trans | 52.1 | 108.3 | 160.6 | -56.7 | -170.2 | -169.6 | 0 | 0 | 119.3 | S1387 | E1385-S1387 PolarHBondContact O-N 3.46Š| ||
| 1386 | T | 32 | Very low | 33.8 | Very low | 138 Ų | 138 | 110 Ų | 110 | 85% | 0.847 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | 19.8 | 173.6 | 45.6 | 0 | 0 | 0 | 0 | 115.2 | T1388 | T1386-T1388 PolarHBondContact O-N 3.3Š|
| 1387 | S | 30.9 | Very low | 34.4 | Very low | 70 Ų | 70 | 108.9 Ų | 108.9 | 49% | 0.49 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -76.8 | -16.1 | -173.8 | -71.5 | 0 | 0 | 0 | 0 | 114.8 | E1385 | E1385-S1387 PolarHBondContact O-N 3.46Å |
| 1388 | T | 32 | Very low | 35.7 | Very low | 97 Ų | 97 | 104.6 Ų | 104.6 | 60% | 0.595 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -80.2 | -44.8 | -171.8 | -45.8 | 0 | 0 | 0 | 0 | 113.1 | T1386 M1390 K1391 Q1392 | T1386-T1388 PolarHBondContact O-N 3.3Å; T1388-M1390 VanDerWaalsContact C-N 3.29Å; T1388-M1390 PolarHBondContact O-N 3.2Å; T1388-K1391 WeakPolarHBondContact O-CB 3.28Å; T1388-K1391 PolarHBondContact O-N 3.1Å; T1388-Q1392 PolarHBondContact O-N 2.79Å |
| 1389 | S | 33.8 | Very low | 36.9 | Very low | 50 Ų | 50 | 99.9 Ų | 99.9 | 35% | 0.35 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.6 | -32.5 | -176.7 | -48.3 | 0 | 0 | 0 | 0 | 113 | K1391 Q1392 L1393 | S1389-K1391 VanDerWaalsContact C-N 3.29Å; S1389-K1391 PolarHBondContact O-N 3.11Å; S1389-Q1392 PolarHBondContact O-N 2.82Å; S1389-L1393 PolarHBondContact O-N 2.89Å; S1389-L1393 VanDerWaalsContact O-N 3.12Å |
| 1390 | M | 29.4 | Very low | 38.1 | Very low | 138 Ų | 138 | 92.8 Ų | 92.8 | 68% | 0.68 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -70.7 | -25.2 | 175.6 | -157.7 | -175.1 | -61.9 | 0 | 0 | 112.3 | T1388 H1394 | T1388-M1390 VanDerWaalsContact C-N 3.29Å; T1388-M1390 PolarHBondContact O-N 3.2Å; M1390-H1394 PolarHBondContact O-N 3.31Å |
| 1391 | K | 36.2 | Very low | 39.6 | Very low | 139 Ų | 139 | 89.2 Ų | 89.2 | 60% | 0.604 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -72.8 | -40.3 | 170.6 | -68.5 | -178.8 | 178.4 | 179.8 | 0 | 111.5 | T1388 S1389 L1393 H1394 L1395 | T1388-K1391 WeakPolarHBondContact O-CB 3.28Å; T1388-K1391 PolarHBondContact O-N 3.1Å; S1389-K1391 VanDerWaalsContact C-N 3.29Å; S1389-K1391 PolarHBondContact O-N 3.11Å; K1391-L1393 VanDerWaalsContact C-N 3.33Å; K1391-L1393 PolarHBondContact O-N 3.2Å; K1391-H1394 CarbonylContact O-C 3.58Å; K1391-H1394 WeakPolarHBondContact O-CA 3.33Å; K1391-H1394 VanDerWaalsContact O-CB 3.29Å; K1391-H1394 WeakPolarHBondContact O-CB 3.35Å; K1391-H1394 PolarHBondContact O-N 3.26Å; K1391-L1395 WeakPolarHBondContact O-CD1 3.48Å; K1391-L1395 PolarHBondContact O-N 2.87Å |
| 1392 | Q | 37.5 | Very low | 41.4 | Very low | 67 Ų | 67 | 83.6 Ų | 83.6 | 31% | 0.313 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.4 | -42.1 | 173.4 | -78.5 | 172.9 | -47.1 | 0 | 0 | 112.1 | T1388 S1389 H1394 L1395 A1396 | T1388-Q1392 PolarHBondContact O-N 2.79Å; S1389-Q1392 PolarHBondContact O-N 2.82Å; Q1392-H1394 PolarHBondContact O-N 3.19Å; Q1392-H1394 VanDerWaalsContact O-N 3.09Å; Q1392-L1395 PolarHBondContact O-N 3.42Å; Q1392-A1396 PolarHBondContact O-N 3.04Å |
| 1393 | L | 36.4 | Very low | 43.4 | Very low | 23 Ų | 23 | 78.6 Ų | 78.6 | 12% | 0.12 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -62.9 | -14.7 | 172.3 | -125.1 | 169.7 | 0 | 0 | 0 | 113.4 | E1291 I1294 R1295 W1315 S1389 K1391 K1401 | E1291-L1393 HydrophobicContact CB-CD1 4.19Å; E1291-L1393 HydrophobicContact CG-CD1 3.96Å; I1294-L1393 HydrophobicContact CG2-CG 4.43Å; R1295-L1393 HydrophobicContact CG-CD1 4.43Å; W1315-L1393 HydrophobicContact CH2-CD2 4.41Å; S1389-L1393 PolarHBondContact O-N 2.89Å; S1389-L1393 VanDerWaalsContact O-N 3.12Å; K1391-L1393 VanDerWaalsContact C-N 3.33Å; K1391-L1393 PolarHBondContact O-N 3.2Å; L1393-K1401 WeakPolarHBondContact O-CE 3.42Å; L1393-K1401 PolarHBondContact O-NZ 2.9Å |
| 1394 | H | 39 | Very low | 46 | Very low | 144 Ų | 144 | 71.1 Ų | 71.1 | 67% | 0.667 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -93.5 | -12.3 | 173.1 | -144.1 | -51.2 | 0 | 0 | 0 | 114 | M1390 K1391 Q1392 | M1390-H1394 PolarHBondContact O-N 3.31Å; K1391-H1394 CarbonylContact O-C 3.58Å; K1391-H1394 WeakPolarHBondContact O-CA 3.33Å; K1391-H1394 VanDerWaalsContact O-CB 3.29Å; K1391-H1394 WeakPolarHBondContact O-CB 3.35Å; K1391-H1394 PolarHBondContact O-N 3.26Å; Q1392-H1394 PolarHBondContact O-N 3.19Å; Q1392-H1394 VanDerWaalsContact O-N 3.09Å |
| 1395 | L | 36 | Very low | 48.8 | Very low | 144 Ų | 144 | 69.1 Ų | 69.1 | 75% | 0.754 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -87 | -19.1 | 170.2 | -86 | 76.9 | 0 | 0 | 0 | 112.8 | K1391 Q1392 S1397 | K1391-L1395 WeakPolarHBondContact O-CD1 3.48Å; K1391-L1395 PolarHBondContact O-N 2.87Å; Q1392-L1395 PolarHBondContact O-N 3.42Å; L1395-S1397 PolarHBondContact O-N 3.33Å; L1395-S1397 VanDerWaalsContact O-N 3.14Å |
| 1396 | A | 48.5 | Very low | 51.7 | Low | 4 Ų | 4 | 62.1 Ų | 62.1 | 3% | 0.033 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -57.4 | 117.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | F1369 Q1392 I1400 K1401 | F1369-A1396 HydrophobicContact CD2-CB 4.5Å; F1369-A1396 HydrophobicContact CE1-CB 4.44Å; F1369-A1396 HydrophobicContact CE2-CB 3.64Å; F1369-A1396 HydrophobicContact CZ-CB 3.61Å; Q1392-A1396 PolarHBondContact O-N 3.04Å; A1396-I1400 HydrophobicContact CB-CD1 4.46Å; A1396-K1401 WeakPolarHBondContact O-CE 3.39Å |
| 1397 | S | 56.4 | Low | 54.5 | Low | 59 Ų | 59 | 60.3 Ų | 60.3 | 41% | 0.413 | 32% | 0.318 | S | S | . | . | trans | -48.3 | 144.4 | -179.2 | -48.7 | 0 | 0 | 0 | 0 | 112.3 | L1395 L1399 I1400 | L1395-S1397 PolarHBondContact O-N 3.33Å; L1395-S1397 VanDerWaalsContact O-N 3.14Å; S1397-L1399 PolarHBondContact O-N 3.47Å; S1397-I1400 WeakPolarHBondContact O-CB 3.22Å; S1397-I1400 PolarHBondContact O-N 2.71Å | ||
| 1398 | P | 57.6 | Low | 57.4 | Low | 26 Ų | 26 | 57.3 Ų | 57.3 | 17% | 0.169 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -28.7 | -174.8 | -26.1 | 34.3 | 0 | 0 | 0 | 115 | E1403 Y1471 D1472 | P1398-E1403 PolarHBondContact O-N 3.04Å; P1398-Y1471 WeakPolarHBondContact CB-O 3.28Å; P1398-D1472 HydrophobicContact CG-CB 4.5Å |
| 1399 | L | 61.7 | Low | 60.3 | Low | 28 Ų | 28 | 52.7 Ų | 52.7 | 15% | 0.147 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -42.7 | 176.5 | -55 | 83.9 | 0 | 0 | 0 | 111.8 | E1365 S1397 K1401 G1402 L1404 R1434 Y1471 | E1365-L1399 WeakPolarHBondContact OE1-CB 3.27Å; S1397-L1399 PolarHBondContact O-N 3.47Å; L1399-K1401 VanDerWaalsContact C-N 3.29Å; L1399-K1401 PolarHBondContact O-N 2.65Å; L1399-G1402 PolarHBondContact O-N 3.48Å; L1399-L1404 HydrophobicContact CG-CD1 4.32Å; L1399-R1434 HydrophobicContact CB-CG 4.01Å; L1399-R1434 HydrophobicContact CD2-CG 3.68Å; L1399-R1434 HydrophobicContact CG-CG 4.44Å; L1399-R1434 PolarHBondContact O-NH1 2.88Å; L1399-Y1471 HydrophobicContact CD1-CG 4.2Å; L1399-Y1471 HydrophobicContact CD2-CD1 4.38Å; L1399-Y1471 HydrophobicContact CD2-CG 4.33Å |
| 1400 | I | 58.6 | Low | 63.1 | Low | 7 Ų | 7 | 50.3 Ų | 50.3 | 4% | 0.036 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -44 | 179.6 | -58.4 | 174 | 0 | 0 | 0 | 110.4 | W1315 E1365 M1366 F1369 A1396 S1397 G1402 | W1315-I1400 HydrophobicContact CE3-CG2 4.16Å; W1315-I1400 HydrophobicContact CZ3-CG2 3.84Å; E1365-I1400 HydrophobicContact CG-CG1 3.75Å; E1365-I1400 PolarHBondContact OE1-N 3.16Å; M1366-I1400 HydrophobicContact CE-CG2 3.67Å; F1369-I1400 HydrophobicContact CB-CD1 3.86Å; F1369-I1400 HydrophobicContact CD1-CD1 4.49Å; F1369-I1400 HydrophobicContact CD1-CG2 4.12Å; F1369-I1400 HydrophobicContact CD2-CD1 3.63Å; F1369-I1400 HydrophobicContact CE1-CG2 4.46Å; F1369-I1400 HydrophobicContact CE2-CD1 4.33Å; F1369-I1400 HydrophobicContact CG-CD1 3.73Å; F1369-I1400 HydrophobicContact CG-CG2 4.36Å; A1396-I1400 HydrophobicContact CB-CD1 4.46Å; S1397-I1400 WeakPolarHBondContact O-CB 3.22Å; S1397-I1400 PolarHBondContact O-N 2.71Å; I1400-G1402 PolarHBondContact O-N 2.95Å |
| 1401 | K | 60.2 | Low | 66.2 | Low | 39 Ų | 39 | 47.1 Ų | 47.1 | 17% | 0.17 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -10.5 | -179.2 | -66.2 | 176.7 | -179.5 | 169.7 | 0 | 114.2 | L1393 A1396 L1399 E1403 | L1393-K1401 WeakPolarHBondContact O-CE 3.42Å; L1393-K1401 PolarHBondContact O-NZ 2.9Å; A1396-K1401 WeakPolarHBondContact O-CE 3.39Å; L1399-K1401 VanDerWaalsContact C-N 3.29Å; L1399-K1401 PolarHBondContact O-N 2.65Å; K1401-E1403 VanDerWaalsContact C-N 3.28Å; K1401-E1403 HydrophobicContact CB-CG 4.01Å; K1401-E1403 VanDerWaalsContact CD-OE1 3.26Å; K1401-E1403 WeakPolarHBondContact CD-OE1 3.12Å; K1401-E1403 PolarHBondContact O-N 3.08Å |
| 1402 | G | 66 | Low | 68.8 | Low | 7 Ų | 7 | 43.7 Ų | 43.7 | 7% | 0.072 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 14.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | W1315 L1399 I1400 L1404 N1405 | W1315-G1402 WeakPolarHBondContact O-CA 3.41Å; L1399-G1402 PolarHBondContact O-N 3.48Å; I1400-G1402 PolarHBondContact O-N 2.95Å; G1402-L1404 PolarHBondContact O-N 3.48Å; G1402-N1405 WeakPolarHBondContact O-CB 3.47Å; G1402-N1405 PolarHBondContact O-N 3.25Å; G1402-N1405 VanDerWaalsContact O-N 3.15Å |
| 1403 | E | 72.2 | Confident | 71.6 | Confident | 71 Ų | 71 | 40.7 Ų | 40.7 | 33% | 0.332 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -25.1 | 179.2 | -68.7 | 178.1 | -159 | 0 | 0 | 112.3 | P1398 K1401 R1473 | P1398-E1403 PolarHBondContact O-N 3.04Å; K1401-E1403 VanDerWaalsContact C-N 3.28Å; K1401-E1403 HydrophobicContact CB-CG 4.01Å; K1401-E1403 VanDerWaalsContact CD-OE1 3.26Å; K1401-E1403 WeakPolarHBondContact CD-OE1 3.12Å; K1401-E1403 PolarHBondContact O-N 3.08Å; E1403-R1473 VanDerWaalsContact O-CD 3.23Å; E1403-R1473 WeakPolarHBondContact O-CD 3.42Å; E1403-R1473 PolarHBondContact O-NH1 3.08Å |
| 1404 | L | 82.9 | Confident | 74.4 | Confident | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.026 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 38.4 | 175.1 | -67 | 178.9 | 0 | 0 | 0 | 113 | L1399 G1402 W1408 A1433 Y1471 R1473 | L1399-L1404 HydrophobicContact CG-CD1 4.32Å; G1402-L1404 PolarHBondContact O-N 3.48Å; L1404-W1408 HydrophobicContact CD2-CD2 3.89Å; L1404-W1408 HydrophobicContact CD2-CE3 3.41Å; L1404-W1408 VanDerWaalsContact CD2-CE3 3.41Å; L1404-W1408 HydrophobicContact CD2-CH2 3.61Å; L1404-W1408 HydrophobicContact CD2-CZ2 4.06Å; L1404-W1408 HydrophobicContact CD2-CZ3 3.27Å; L1404-A1433 HydrophobicContact CB-CB 3.64Å; L1404-A1433 HydrophobicContact CD1-CB 3.85Å; L1404-A1433 HydrophobicContact CG-CB 4.35Å; L1404-A1433 PolarHBondContact O-N 3.29Å; L1404-Y1471 HydrophobicContact CD1-CD1 4.12Å; L1404-Y1471 HydrophobicContact CD1-CG 4.4Å; L1404-Y1471 WeakPolarHBondContact CD1-O 3.23Å; L1404-R1473 HydrophobicContact CD2-CB 3.76Å; L1404-R1473 HydrophobicContact CD2-CG 4.18Å; L1404-R1473 HydrophobicContact CG-CB 4.28Å |
| 1405 | N | 87.6 | Confident | 77.1 | Confident | 30 Ų | 30 | 34.4 Ų | 34.4 | 16% | 0.16 | 19% | 0.186 | C | C | . | . | trans | -63.7 | 172.2 | 177.5 | 74.2 | 14.2 | 0 | 0 | 0 | 112.8 | G1402 E1407 W1408 I1409 | G1402-N1405 WeakPolarHBondContact O-CB 3.47Å; G1402-N1405 PolarHBondContact O-N 3.25Å; G1402-N1405 VanDerWaalsContact O-N 3.15Å; N1405-E1407 PolarHBondContact O-N 3.05Å; N1405-E1407 WeakPolarHBondContact OD1-CA 3.49Å; N1405-E1407 WeakPolarHBondContact OD1-CB 3.41Å; N1405-E1407 PolarHBondContact OD1-N 3.36Å; N1405-W1408 PolarHBondContact O-N 3.48Å; N1405-W1408 VanDerWaalsContact O-N 3.11Å; N1405-W1408 PolarHBondContact OD1-N 2.97Å; N1405-I1409 PolarHBondContact O-N 2.92Å | ||
| 1406 | H | 90.7 | Very high | 80 | Confident | 18 Ų | 18 | 27.8 Ų | 27.8 | 8% | 0.083 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.5 | -27.8 | 177.1 | 71.5 | -56.6 | 0 | 0 | 0 | 115.3 | G1317 K1358 G1410 L1430 V1431 D1432 | G1317-H1406 PolarHBondContact O-CE1 3.44Å; G1317-H1406 PolarHBondContact O-ND1 3.48Å; K1358-H1406 PolarHBondContact NZ-ND1 2.87Å; H1406-G1410 PolarHBondContact O-N 2.61Å; H1406-L1430 VanDerWaalsContact CB-C 3.47Å; H1406-L1430 WeakPolarHBondContact CB-O 3.47Å; H1406-V1431 VanDerWaalsContact CA-O 3.23Å; H1406-V1431 WeakPolarHBondContact CA-O 3.39Å; H1406-V1431 VanDerWaalsContact CB-O 3.29Å; H1406-V1431 WeakPolarHBondContact CB-O 3.5Å; H1406-D1432 HydrophobicContact CB-CB 4.46Å |
| 1407 | E | 90.6 | Very high | 82.3 | Confident | 100 Ų | 100 | 27.8 Ų | 27.8 | 47% | 0.467 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -70.9 | -41 | 175.7 | -52.5 | -176 | 130.4 | 0 | 0 | 111 | N1405 N1411 M1427 | N1405-E1407 PolarHBondContact O-N 3.05Å; N1405-E1407 WeakPolarHBondContact OD1-CA 3.49Å; N1405-E1407 WeakPolarHBondContact OD1-CB 3.41Å; N1405-E1407 PolarHBondContact OD1-N 3.36Å; E1407-N1411 WeakPolarHBondContact O-CA 3.44Å; E1407-N1411 WeakPolarHBondContact O-CB 3.48Å; E1407-N1411 PolarHBondContact O-N 3.19Å; E1407-N1411 PolarHBondContact O-ND2 3.44Å; E1407-M1427 HydrophobicContact CG-CE 4.36Å |
| 1408 | W | 91.4 | Very high | 84.1 | Confident | 8 Ų | 8 | 25 Ų | 25 | 3% | 0.03 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67.2 | -42.7 | 173.4 | -175.3 | 87.1 | 0 | 0 | 0 | 111.4 | L1404 N1405 V1412 W1413 L1466 R1473 I1476 E1477 | L1404-W1408 HydrophobicContact CD2-CD2 3.89Å; L1404-W1408 HydrophobicContact CD2-CE3 3.41Å; L1404-W1408 VanDerWaalsContact CD2-CE3 3.41Å; L1404-W1408 HydrophobicContact CD2-CH2 3.61Å; L1404-W1408 HydrophobicContact CD2-CZ2 4.06Å; L1404-W1408 HydrophobicContact CD2-CZ3 3.27Å; N1405-W1408 PolarHBondContact O-N 3.48Å; N1405-W1408 VanDerWaalsContact O-N 3.11Å; N1405-W1408 PolarHBondContact OD1-N 2.97Å; W1408-V1412 HydrophobicContact CG-CB 4.32Å; W1408-V1412 WeakPolarHBondContact O-CA 3.34Å; W1408-V1412 WeakPolarHBondContact O-CB 3.12Å; W1408-V1412 PolarHBondContact O-N 3.18Å; W1408-W1413 HydrophobicContact CD2-CB 4.32Å; W1408-W1413 HydrophobicContact CE3-CB 3.73Å; W1408-W1413 HydrophobicContact CE3-CG 4.4Å; W1408-W1413 HydrophobicContact CH2-CB 3.8Å; W1408-W1413 AromaticContact CH2-CD1 3.68Å; W1408-W1413 AromaticContact CH2-CG 3.95Å; W1408-W1413 HydrophobicContact CH2-CG 3.95Å; W1408-W1413 HydrophobicContact CZ2-CB 4.36Å; W1408-W1413 HydrophobicContact CZ3-CB 3.43Å; W1408-W1413 VanDerWaalsContact CZ3-CB 3.43Å; W1408-W1413 AromaticContact CZ3-CD1 3.8Å; W1408-W1413 AromaticContact CZ3-CG 3.66Å; W1408-W1413 HydrophobicContact CZ3-CG 3.66Å; W1408-W1413 PolarHBondContact O-N 3.44Å; W1408-L1466 HydrophobicContact CH2-CD2 4.13Å; W1408-L1466 HydrophobicContact CZ3-CD2 4.4Å; W1408-R1473 HydrophobicContact CZ2-CG 4.05Å; W1408-R1473 VanDerWaalsContact NE1-NE 3.18Å; W1408-I1476 HydrophobicContact CH2-CD1 4.32Å; W1408-E1477 PolarHBondContact NE1-OE1 2.75Å |
| 1409 | I | 93.7 | Very high | 86 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | I | π-helix | trans | -57.9 | -51.7 | 175.6 | -70.9 | -64.3 | 0 | 0 | 0 | 111.2 | N1405 W1413 L1414 F1426 V1431 A1433 L1436 | N1405-I1409 PolarHBondContact O-N 2.92Å; I1409-W1413 HydrophobicContact CD1-CB 4.36Å; I1409-W1413 HydrophobicContact CD1-CD2 3.98Å; I1409-W1413 HydrophobicContact CD1-CE3 3.69Å; I1409-W1413 HydrophobicContact CD1-CG 4.31Å; I1409-W1413 HydrophobicContact CD1-CZ3 4.23Å; I1409-W1413 HydrophobicContact CG2-CE3 4.1Å; I1409-W1413 HydrophobicContact CG2-CZ3 4.4Å; I1409-L1414 WeakPolarHBondContact O-CB 3.32Å; I1409-L1414 PolarHBondContact O-N 2.82Å; I1409-F1426 HydrophobicContact CG2-CD1 4.05Å; I1409-V1431 WeakPolarHBondContact CG2-O 3.48Å; I1409-A1433 HydrophobicContact CD1-CB 4.18Å; I1409-L1436 HydrophobicContact CD1-CD1 3.98Å |
| 1410 | G | 93.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | I | π-helix | trans | -75.9 | -38.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | H1406 P1415 R1423 | H1406-G1410 PolarHBondContact O-N 2.61Å; G1410-P1415 WeakPolarHBondContact O-CD 3.32Å; G1410-R1423 WeakPolarHBondContact O-CD 3.48Å; G1410-R1423 WeakPolarHBondContact O-CG 3.48Å |
| 1411 | N | 92.7 | Very high | 89.2 | Confident | 70 Ų | 70 | 30.6 Ų | 30.6 | 37% | 0.374 | 16% | 0.156 | S | C | . | . | I | π-helix | trans | -92.6 | -24.1 | -172.5 | -57.2 | -39.7 | 0 | 0 | 0 | 114.4 | E1407 R1423 | E1407-N1411 WeakPolarHBondContact O-CA 3.44Å; E1407-N1411 WeakPolarHBondContact O-CB 3.48Å; E1407-N1411 PolarHBondContact O-N 3.19Å; E1407-N1411 PolarHBondContact O-ND2 3.44Å; N1411-R1423 PolarHBondContact OD1-NE 3.11Å; N1411-R1423 PolarHBondContact OD1-NH2 2.88Å |
| 1412 | V | 92.6 | Very high | 90.9 | Very high | 67 Ų | 67 | 29.8 Ų | 29.8 | 41% | 0.406 | 15% | 0.153 | S | C | . | . | I | π-helix | trans | -122.8 | -56.2 | -171.5 | -175.1 | 0 | 0 | 0 | 0 | 111.2 | W1408 S1416 | W1408-V1412 HydrophobicContact CG-CB 4.32Å; W1408-V1412 WeakPolarHBondContact O-CA 3.34Å; W1408-V1412 WeakPolarHBondContact O-CB 3.12Å; W1408-V1412 PolarHBondContact O-N 3.18Å; V1412-S1416 VanDerWaalsContact O-CB 3.29Å; V1412-S1416 WeakPolarHBondContact O-CB 3.41Å; V1412-S1416 PolarHBondContact O-N 3.12Å; V1412-S1416 VanDerWaalsContact O-N 3.11Å; V1412-S1416 PolarHBondContact O-OG 3.37Å |
| 1413 | W | 95.2 | Very high | 92.3 | Very high | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.015 | 17% | 0.168 | C | C | . | . | I | π-helix | trans | -72.7 | -52 | -172.2 | 178.5 | 77.9 | 0 | 0 | 0 | 113 | W1408 I1409 S1416 L1417 L1436 L1459 I1463 L1466 | W1408-W1413 HydrophobicContact CD2-CB 4.32Å; W1408-W1413 HydrophobicContact CE3-CB 3.73Å; W1408-W1413 HydrophobicContact CE3-CG 4.4Å; W1408-W1413 HydrophobicContact CH2-CB 3.8Å; W1408-W1413 AromaticContact CH2-CD1 3.68Å; W1408-W1413 AromaticContact CH2-CG 3.95Å; W1408-W1413 HydrophobicContact CH2-CG 3.95Å; W1408-W1413 HydrophobicContact CZ2-CB 4.36Å; W1408-W1413 HydrophobicContact CZ3-CB 3.43Å; W1408-W1413 VanDerWaalsContact CZ3-CB 3.43Å; W1408-W1413 AromaticContact CZ3-CD1 3.8Å; W1408-W1413 AromaticContact CZ3-CG 3.66Å; W1408-W1413 HydrophobicContact CZ3-CG 3.66Å; W1408-W1413 PolarHBondContact O-N 3.44Å; I1409-W1413 HydrophobicContact CD1-CB 4.36Å; I1409-W1413 HydrophobicContact CD1-CD2 3.98Å; I1409-W1413 HydrophobicContact CD1-CE3 3.69Å; I1409-W1413 HydrophobicContact CD1-CG 4.31Å; I1409-W1413 HydrophobicContact CD1-CZ3 4.23Å; I1409-W1413 HydrophobicContact CG2-CE3 4.1Å; I1409-W1413 HydrophobicContact CG2-CZ3 4.4Å; W1413-S1416 WeakPolarHBondContact CA-OG 3.49Å; W1413-S1416 CarbonylContact O-C 3.59Å; W1413-S1416 WeakPolarHBondContact O-CA 3.48Å; W1413-S1416 WeakPolarHBondContact O-CB 3.39Å; W1413-S1416 PolarHBondContact O-N 3.22Å; W1413-S1416 PolarHBondContact O-OG 3.48Å; W1413-L1417 HydrophobicContact CD2-CD1 4.27Å; W1413-L1417 HydrophobicContact CE3-CD1 4.32Å; W1413-L1417 HydrophobicContact CH2-CD1 3.83Å; W1413-L1417 HydrophobicContact CZ2-CD1 3.74Å; W1413-L1417 HydrophobicContact CZ3-CD1 4.11Å; W1413-L1417 PolarHBondContact O-N 3.28Å; W1413-L1417 VanDerWaalsContact O-N 3.08Å; W1413-L1436 HydrophobicContact CH2-CD1 3.68Å; W1413-L1436 HydrophobicContact CH2-CD2 4.02Å; W1413-L1436 HydrophobicContact CZ2-CD1 4.17Å; W1413-L1436 HydrophobicContact CZ3-CD1 4Å; W1413-L1436 HydrophobicContact CZ3-CD2 3.95Å; W1413-L1459 HydrophobicContact CH2-CD1 3.74Å; W1413-L1459 HydrophobicContact CZ3-CD1 3.85Å; W1413-I1463 HydrophobicContact CH2-CG1 3.94Å; W1413-I1463 HydrophobicContact CZ2-CG1 4.3Å; W1413-L1466 HydrophobicContact CD2-CD1 4.35Å; W1413-L1466 HydrophobicContact CH2-CD1 4.32Å; W1413-L1466 HydrophobicContact CZ2-CD1 3.53Å; W1413-L1466 HydrophobicContact CZ2-CG 3.96Å |
| 1414 | L | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.9 | -40.7 | -178.2 | -171.4 | 74.7 | 0 | 0 | 0 | 112.7 | I1409 S1416 L1417 L1419 R1423 F1426 L1459 | I1409-L1414 WeakPolarHBondContact O-CB 3.32Å; I1409-L1414 PolarHBondContact O-N 2.82Å; L1414-S1416 VanDerWaalsContact C-N 3.33Å; L1414-S1416 PolarHBondContact O-N 3.14Å; L1414-L1417 PolarHBondContact O-N 3.37Å; L1414-L1419 HydrophobicContact CD1-CB 3.63Å; L1414-L1419 HydrophobicContact CD1-CD1 4.02Å; L1414-L1419 HydrophobicContact CD1-CG 4.48Å; L1414-L1419 HydrophobicContact CG-CB 3.88Å; L1414-L1419 PolarHBondContact O-N 3.44Å; L1414-R1423 HydrophobicContact CD2-CB 4.46Å; L1414-F1426 HydrophobicContact CD1-CE1 4.35Å; L1414-F1426 HydrophobicContact CD1-CE2 4.45Å; L1414-F1426 HydrophobicContact CD1-CZ 4.23Å; L1414-F1426 HydrophobicContact CD2-CB 4.15Å; L1414-F1426 HydrophobicContact CD2-CD1 4.23Å; L1414-F1426 HydrophobicContact CD2-CD2 3.83Å; L1414-F1426 HydrophobicContact CD2-CE2 4.26Å; L1414-F1426 HydrophobicContact CD2-CG 3.81Å; L1414-L1459 HydrophobicContact CD1-CD1 4.1Å |
| 1415 | P | 95.4 | Very high | 94 | Very high | 35 Ų | 35 | 34.5 Ų | 34.5 | 23% | 0.227 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.4 | -39 | 166.8 | -26.4 | 37.3 | 0 | 0 | 0 | 113.1 | G1410 L1417 G1418 A1420 | G1410-P1415 WeakPolarHBondContact O-CD 3.32Å; P1415-L1417 PolarHBondContact O-N 3.41Å; P1415-G1418 WeakPolarHBondContact O-CA 3.08Å; P1415-G1418 PolarHBondContact O-N 2.84Å; P1415-A1420 HydrophobicContact CB-CB 4.08Å; P1415-A1420 HydrophobicContact CG-CB 4.17Å |
| 1416 | S | 95.4 | Very high | 94.4 | Very high | 6 Ų | 6 | 33.1 Ų | 33.1 | 4% | 0.042 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.8 | -16 | 176.9 | 81.8 | 0 | 0 | 0 | 0 | 114.5 | V1412 W1413 L1414 G1418 R1480 S1494 N1495 | V1412-S1416 VanDerWaalsContact O-CB 3.29Å; V1412-S1416 WeakPolarHBondContact O-CB 3.41Å; V1412-S1416 PolarHBondContact O-N 3.12Å; V1412-S1416 VanDerWaalsContact O-N 3.11Å; V1412-S1416 PolarHBondContact O-OG 3.37Å; W1413-S1416 WeakPolarHBondContact CA-OG 3.49Å; W1413-S1416 CarbonylContact O-C 3.59Å; W1413-S1416 WeakPolarHBondContact O-CA 3.48Å; W1413-S1416 WeakPolarHBondContact O-CB 3.39Å; W1413-S1416 PolarHBondContact O-N 3.22Å; W1413-S1416 PolarHBondContact O-OG 3.48Å; L1414-S1416 VanDerWaalsContact C-N 3.33Å; L1414-S1416 PolarHBondContact O-N 3.14Å; S1416-G1418 VanDerWaalsContact C-N 3.34Å; S1416-R1480 VanDerWaalsContact CB-NH1 3.31Å; S1416-R1480 PolarHBondContact OG-NH1 2.87Å; S1416-R1480 PolarHBondContact OG-NH2 2.91Å; S1416-S1494 CarbonylContact O-C 3.6Å; S1416-S1494 VanDerWaalsContact O-CA 3.23Å; S1416-S1494 WeakPolarHBondContact O-CA 3.39Å; S1416-N1495 PolarHBondContact O-N 2.81Å |
| 1417 | L | 96.9 | Very high | 94.5 | Very high | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -6.3 | 168.5 | -56.7 | -173.7 | 0 | 0 | 0 | 112.9 | W1413 L1414 P1415 L1419 L1459 G1518 H1520 | W1413-L1417 HydrophobicContact CD2-CD1 4.27Å; W1413-L1417 HydrophobicContact CE3-CD1 4.32Å; W1413-L1417 HydrophobicContact CH2-CD1 3.83Å; W1413-L1417 HydrophobicContact CZ2-CD1 3.74Å; W1413-L1417 HydrophobicContact CZ3-CD1 4.11Å; W1413-L1417 PolarHBondContact O-N 3.28Å; W1413-L1417 VanDerWaalsContact O-N 3.08Å; L1414-L1417 PolarHBondContact O-N 3.37Å; P1415-L1417 PolarHBondContact O-N 3.41Å; L1417-L1419 HydrophobicContact CB-CB 4.49Å; L1417-L1419 HydrophobicContact CB-CD1 4.15Å; L1417-L1419 HydrophobicContact CB-CG 4.14Å; L1417-L1419 HydrophobicContact CD1-CD1 4.23Å; L1417-L1459 HydrophobicContact CD1-CD1 4.31Å; L1417-G1518 CarbonylContact O-C 3.53Å; L1417-G1518 VanDerWaalsContact O-CA 3.27Å; L1417-G1518 WeakPolarHBondContact O-CA 3.39Å; L1417-H1520 PolarHBondContact O-ND1 2.67Å |
| 1418 | G | 95.3 | Very high | 94.6 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | 26.2 | -170 | 0 | 0 | 0 | 0 | 0 | 113.2 | P1415 S1416 D1516 S1517 G1518 | P1415-G1418 WeakPolarHBondContact O-CA 3.08Å; P1415-G1418 PolarHBondContact O-N 2.84Å; S1416-G1418 VanDerWaalsContact C-N 3.34Å; G1418-D1516 CarbonylContact O-C 3.54Å; G1418-D1516 WeakPolarHBondContact O-CA 3.45Å; G1418-S1517 PolarHBondContact O-N 3.22Å; G1418-G1518 WeakPolarHBondContact O-CA 3.42Å; G1418-G1518 PolarHBondContact O-N 3.41Å |
| 1419 | L | 96.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -116.6 | 26.7 | -175.6 | -65.8 | 179.1 | 0 | 0 | 0 | 112.9 | L1414 L1417 R1421 Y1422 M1450 H1455 L1459 | L1414-L1419 HydrophobicContact CD1-CB 3.63Å; L1414-L1419 HydrophobicContact CD1-CD1 4.02Å; L1414-L1419 HydrophobicContact CD1-CG 4.48Å; L1414-L1419 HydrophobicContact CG-CB 3.88Å; L1414-L1419 PolarHBondContact O-N 3.44Å; L1417-L1419 HydrophobicContact CB-CB 4.49Å; L1417-L1419 HydrophobicContact CB-CD1 4.15Å; L1417-L1419 HydrophobicContact CB-CG 4.14Å; L1417-L1419 HydrophobicContact CD1-CD1 4.23Å; L1419-R1421 PolarHBondContact O-N 2.83Å; L1419-R1421 VanDerWaalsContact O-N 3.14Å; L1419-Y1422 HydrophobicContact CB-CD2 4.27Å; L1419-Y1422 HydrophobicContact CD2-CD2 4.27Å; L1419-Y1422 HydrophobicContact CD2-CE2 4.26Å; L1419-Y1422 PolarHBondContact O-N 2.93Å; L1419-M1450 HydrophobicContact CD1-CE 4.27Å; L1419-H1455 HydrophobicContact CD2-CB 3.76Å; L1419-H1455 VanDerWaalsContact CD2-CD2 3.45Å; L1419-H1455 WeakPolarHBondContact CD2-CD2 3.25Å; L1419-L1459 HydrophobicContact CD1-CB 4.13Å; L1419-L1459 HydrophobicContact CD1-CD1 4.41Å | ||
| 1420 | A | 94.2 | Very high | 94.8 | Very high | 39 Ų | 39 | 35.7 Ų | 35.7 | 32% | 0.322 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -57.2 | -31.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | P1415 Y1422 R1423 D1516 | P1415-A1420 HydrophobicContact CB-CB 4.08Å; P1415-A1420 HydrophobicContact CG-CB 4.17Å; A1420-Y1422 PolarHBondContact O-N 3.17Å; A1420-Y1422 VanDerWaalsContact O-N 3.11Å; A1420-R1423 WeakPolarHBondContact O-CB 3.26Å; A1420-R1423 PolarHBondContact O-N 2.88Å; A1420-D1516 WeakPolarHBondContact CA-OD1 3.36Å; A1420-D1516 WeakPolarHBondContact CB-OD1 3.34Å; A1420-D1516 PolarHBondContact N-OD1 2.77Å |
| 1421 | R | 93.4 | Very high | 94.9 | Very high | 138 Ų | 138 | 35.7 Ų | 35.7 | 52% | 0.521 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -53 | -29.9 | 174.3 | 71.5 | -163.3 | -44.3 | -165.5 | 1.5 | 114.3 | L1419 D1516 | L1419-R1421 PolarHBondContact O-N 2.83Å; L1419-R1421 VanDerWaalsContact O-N 3.14Å; R1421-D1516 HydrophobicContact CB-CB 4.38Å; R1421-D1516 PolarHBondContact N-OD1 3.18Å |
| 1422 | Y | 96.4 | Very high | 94.9 | Very high | 23 Ų | 23 | 32.4 Ų | 32.4 | 9% | 0.09 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -87.3 | -8.8 | 179.7 | -61.5 | -69.4 | 0 | 0 | 0 | 113.3 | L1419 A1420 S1424 S1425 F1426 M1450 H1455 | L1419-Y1422 HydrophobicContact CB-CD2 4.27Å; L1419-Y1422 HydrophobicContact CD2-CD2 4.27Å; L1419-Y1422 HydrophobicContact CD2-CE2 4.26Å; L1419-Y1422 PolarHBondContact O-N 2.93Å; A1420-Y1422 PolarHBondContact O-N 3.17Å; A1420-Y1422 VanDerWaalsContact O-N 3.11Å; Y1422-S1424 PolarHBondContact O-N 3.25Å; Y1422-S1424 VanDerWaalsContact O-N 3.15Å; Y1422-S1425 PolarHBondContact O-N 2.84Å; Y1422-F1426 WeakPolarHBondContact O-CD2 3.37Å; Y1422-F1426 PolarHBondContact O-N 2.95Å; Y1422-M1450 HydrophobicContact CD1-CB 4.14Å; Y1422-M1450 HydrophobicContact CD1-CE 4.36Å; Y1422-M1450 HydrophobicContact CD1-CG 4.42Å; Y1422-M1450 HydrophobicContact CD2-CE 3.58Å; Y1422-M1450 HydrophobicContact CD2-CG 4.5Å; Y1422-M1450 HydrophobicContact CE1-CB 3.93Å; Y1422-M1450 HydrophobicContact CE1-CG 4.06Å; Y1422-M1450 HydrophobicContact CE2-CE 4.01Å; Y1422-M1450 HydrophobicContact CE2-CG 4.1Å; Y1422-M1450 HydrophobicContact CG-CE 3.77Å; Y1422-H1455 HydrophobicContact CE2-CB 3.88Å; Y1422-H1455 AromaticContact CE2-CG 3.82Å; Y1422-H1455 AromaticContact CE2-ND1 3.79Å; Y1422-H1455 AromaticContact CZ-ND1 3.93Å; Y1422-H1455 PolarHBondContact OH-ND1 3.19Å; Y1422-H1455 VanDerWaalsContact OH-ND1 3.15Å |
| 1423 | R | 96.3 | Very high | 94.8 | Very high | 106 Ų | 106 | 29.2 Ų | 29.2 | 40% | 0.4 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -48.9 | -43.9 | 179.8 | 171.1 | 178.5 | 174 | -80.4 | -7.3 | 112.8 | G1410 N1411 L1414 A1420 S1425 F1426 M1427 | G1410-R1423 WeakPolarHBondContact O-CD 3.48Å; G1410-R1423 WeakPolarHBondContact O-CG 3.48Å; N1411-R1423 PolarHBondContact OD1-NE 3.11Å; N1411-R1423 PolarHBondContact OD1-NH2 2.88Å; L1414-R1423 HydrophobicContact CD2-CB 4.46Å; A1420-R1423 WeakPolarHBondContact O-CB 3.26Å; A1420-R1423 PolarHBondContact O-N 2.88Å; R1423-S1425 VanDerWaalsContact C-N 3.3Å; R1423-S1425 PolarHBondContact O-N 3.23Å; R1423-F1426 PolarHBondContact O-N 3.39Å; R1423-M1427 HydrophobicContact CG-CG 4.01Å; R1423-M1427 WeakPolarHBondContact O-CB 3.49Å; R1423-M1427 WeakPolarHBondContact O-CG 3.32Å; R1423-M1427 PolarHBondContact O-N 2.97Å |
| 1424 | S | 94.3 | Very high | 94.4 | Very high | 72 Ų | 72 | 29.9 Ų | 29.9 | 50% | 0.503 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -55.6 | -46.3 | -179.6 | 53.4 | 0 | 0 | 0 | 0 | 111.7 | Y1422 E1428 | Y1422-S1424 PolarHBondContact O-N 3.25Å; Y1422-S1424 VanDerWaalsContact O-N 3.15Å; S1424-E1428 WeakPolarHBondContact O-CB 3.44Å; S1424-E1428 PolarHBondContact O-N 3.03Å |
| 1425 | S | 94.9 | Very high | 94.3 | Very high | 4 Ų | 4 | 29.9 Ų | 29.9 | 3% | 0.028 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -79.1 | -32.5 | -176.5 | -54.2 | 0 | 0 | 0 | 0 | 112.4 | Y1422 R1423 C1429 L1448 K1449 | Y1422-S1425 PolarHBondContact O-N 2.84Å; R1423-S1425 VanDerWaalsContact C-N 3.3Å; R1423-S1425 PolarHBondContact O-N 3.23Å; S1425-C1429 VanDerWaalsContact O-CB 3.27Å; S1425-C1429 WeakPolarHBondContact O-CB 3.4Å; S1425-C1429 PolarHBondContact O-N 3.1Å; S1425-C1429 PolarHBondContact O-SG 2.86Å; S1425-L1448 WeakPolarHBondContact O-CD2 3.35Å; S1425-K1449 WeakPolarHBondContact OG-CD 3.49Å; S1425-K1449 PolarHBondContact OG-NZ 3.4Å |
| 1426 | F | 96.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 0% | 0.004 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.9 | -41.6 | 171.2 | -85.7 | -114.1 | 0 | 0 | 0 | 112.1 | I1409 L1414 Y1422 R1423 C1429 L1430 V1431 L1436 L1448 M1450 L1459 | I1409-F1426 HydrophobicContact CG2-CD1 4.05Å; L1414-F1426 HydrophobicContact CD1-CE1 4.35Å; L1414-F1426 HydrophobicContact CD1-CE2 4.45Å; L1414-F1426 HydrophobicContact CD1-CZ 4.23Å; L1414-F1426 HydrophobicContact CD2-CB 4.15Å; L1414-F1426 HydrophobicContact CD2-CD1 4.23Å; L1414-F1426 HydrophobicContact CD2-CD2 3.83Å; L1414-F1426 HydrophobicContact CD2-CE2 4.26Å; L1414-F1426 HydrophobicContact CD2-CG 3.81Å; Y1422-F1426 WeakPolarHBondContact O-CD2 3.37Å; Y1422-F1426 PolarHBondContact O-N 2.95Å; R1423-F1426 PolarHBondContact O-N 3.39Å; F1426-C1429 CarbonylContact O-C 3.6Å; F1426-L1430 PolarHBondContact O-N 2.92Å; F1426-L1430 VanDerWaalsContact O-N 3.07Å; F1426-V1431 HydrophobicContact CB-CB 4.45Å; F1426-V1431 HydrophobicContact CD1-CB 3.81Å; F1426-V1431 HydrophobicContact CD1-CG1 3.82Å; F1426-V1431 HydrophobicContact CD1-CG2 4.18Å; F1426-V1431 HydrophobicContact CE1-CG1 4.06Å; F1426-V1431 HydrophobicContact CG-CB 4.4Å; F1426-V1431 HydrophobicContact CG-CG2 4.45Å; F1426-V1431 PolarHBondContact O-N 3.41Å; F1426-L1436 HydrophobicContact CE1-CD2 4.45Å; F1426-L1448 HydrophobicContact CD1-CD1 4.49Å; F1426-L1448 HydrophobicContact CD2-CB 4.27Å; F1426-L1448 HydrophobicContact CD2-CD1 4.14Å; F1426-L1448 HydrophobicContact CD2-CD2 4.28Å; F1426-L1448 HydrophobicContact CD2-CG 4.47Å; F1426-L1448 HydrophobicContact CE1-CD1 4.12Å; F1426-L1448 HydrophobicContact CE2-CB 3.96Å; F1426-L1448 HydrophobicContact CE2-CD1 3.73Å; F1426-L1448 HydrophobicContact CE2-CG 4.31Å; F1426-L1448 HydrophobicContact CZ-CD1 3.72Å; F1426-M1450 HydrophobicContact CE2-CE 4.02Å; F1426-M1450 HydrophobicContact CZ-CE 4.26Å; F1426-L1459 HydrophobicContact CE1-CD1 4.37Å; F1426-L1459 HydrophobicContact CZ-CD1 4.12Å; F1426-L1459 HydrophobicContact CZ-CD2 3.95Å |
| 1427 | M | 93.8 | Very high | 93.6 | Very high | 44 Ų | 44 | 29.8 Ų | 29.8 | 22% | 0.217 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -69.2 | -43.3 | 174.7 | -68.1 | -68.1 | -63.9 | 0 | 0 | 111.6 | E1407 R1423 C1429 L1430 | E1407-M1427 HydrophobicContact CG-CE 4.36Å; R1423-M1427 HydrophobicContact CG-CG 4.01Å; R1423-M1427 WeakPolarHBondContact O-CB 3.49Å; R1423-M1427 WeakPolarHBondContact O-CG 3.32Å; R1423-M1427 PolarHBondContact O-N 2.97Å; M1427-C1429 VanDerWaalsContact C-N 3.27Å; M1427-C1429 PolarHBondContact O-N 2.83Å; M1427-L1430 PolarHBondContact O-N 2.92Å; M1427-L1430 VanDerWaalsContact O-N 3.08Å |
| 1428 | E | 93.2 | Very high | 93.2 | Very high | 120 Ų | 120 | 34.2 Ų | 34.2 | 56% | 0.561 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -58.9 | -37.5 | 175.3 | 178.7 | 178.3 | -152.1 | 0 | 0 | 112.1 | H1355 S1424 K1449 | H1355-E1428 PolarHBondContact CE1-O 3.49Å; H1355-E1428 PolarHBondContact NE2-O 2.81Å; S1424-E1428 WeakPolarHBondContact O-CB 3.44Å; S1424-E1428 PolarHBondContact O-N 3.03Å; E1428-K1449 IonicContact OE2-NZ 3.4Å; E1428-K1449 PolarHBondContact OE2-NZ 3.44Å |
| 1429 | C | 94.7 | Very high | 93 | Very high | 5 Ų | 5 | 34.2 Ų | 34.2 | 3% | 0.034 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 11 | 176 | -65.6 | 0 | 0 | 0 | 0 | 114.4 | L1354 H1355 S1425 F1426 M1427 V1431 L1448 | L1354-C1429 HydrophobicContact CB-CB 4.22Å; L1354-C1429 HydrophobicContact CD1-CB 3.73Å; H1355-C1429 VanDerWaalsContact CD2-C 3.48Å; H1355-C1429 PolarHBondContact CD2-O 3.32Å; H1355-C1429 VanDerWaalsContact CD2-O 3.28Å; H1355-C1429 VanDerWaalsContact NE2-C 3.27Å; H1355-C1429 VanDerWaalsContact NE2-CA 3.29Å; H1355-C1429 WeakPolarHBondContact NE2-CA 3.35Å; S1425-C1429 VanDerWaalsContact O-CB 3.27Å; S1425-C1429 WeakPolarHBondContact O-CB 3.4Å; S1425-C1429 PolarHBondContact O-N 3.1Å; S1425-C1429 PolarHBondContact O-SG 2.86Å; F1426-C1429 CarbonylContact O-C 3.6Å; M1427-C1429 VanDerWaalsContact C-N 3.27Å; M1427-C1429 PolarHBondContact O-N 2.83Å; C1429-V1431 HydrophobicContact CB-CG2 3.95Å; C1429-V1431 PolarHBondContact O-N 2.8Å; C1429-L1448 HydrophobicContact CB-CD2 3.6Å |
| 1430 | L | 94.6 | Very high | 92.5 | Very high | 10 Ų | 10 | 36.4 Ų | 36.4 | 5% | 0.052 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 25.5 | 177 | -57.5 | 175.8 | 0 | 0 | 0 | 115.9 | M1318 P1319 Y1322 K1358 H1406 F1426 M1427 D1432 | M1318-L1430 HydrophobicContact SD-CD1 4.27Å; P1319-L1430 HydrophobicContact CG-CD1 3.83Å; P1319-L1430 HydrophobicContact CG-CD2 3.67Å; P1319-L1430 HydrophobicContact CG-CG 4.41Å; Y1322-L1430 HydrophobicContact CD2-CD1 4.22Å; Y1322-L1430 HydrophobicContact CE2-CD1 3.95Å; K1358-L1430 HydrophobicContact CD-CB 4.03Å; K1358-L1430 VanDerWaalsContact CD-O 3.28Å; K1358-L1430 WeakPolarHBondContact CD-O 3.41Å; K1358-L1430 VanDerWaalsContact CE-O 3.3Å; K1358-L1430 WeakPolarHBondContact CE-O 3.41Å; K1358-L1430 PolarHBondContact NZ-O 2.6Å; H1406-L1430 VanDerWaalsContact CB-C 3.47Å; H1406-L1430 WeakPolarHBondContact CB-O 3.47Å; F1426-L1430 PolarHBondContact O-N 2.92Å; F1426-L1430 VanDerWaalsContact O-N 3.07Å; M1427-L1430 PolarHBondContact O-N 2.92Å; M1427-L1430 VanDerWaalsContact O-N 3.08Å; L1430-D1432 PolarHBondContact O-N 2.93Å |
| 1431 | V | 94.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -62.5 | 118 | -169.2 | -177.2 | 0 | 0 | 0 | 0 | 112 | H1406 I1409 F1426 C1429 M1435 L1436 L1439 L1448 | H1406-V1431 VanDerWaalsContact CA-O 3.23Å; H1406-V1431 WeakPolarHBondContact CA-O 3.39Å; H1406-V1431 VanDerWaalsContact CB-O 3.29Å; H1406-V1431 WeakPolarHBondContact CB-O 3.5Å; I1409-V1431 WeakPolarHBondContact CG2-O 3.48Å; F1426-V1431 HydrophobicContact CB-CB 4.45Å; F1426-V1431 HydrophobicContact CD1-CB 3.81Å; F1426-V1431 HydrophobicContact CD1-CG1 3.82Å; F1426-V1431 HydrophobicContact CD1-CG2 4.18Å; F1426-V1431 HydrophobicContact CE1-CG1 4.06Å; F1426-V1431 HydrophobicContact CG-CB 4.4Å; F1426-V1431 HydrophobicContact CG-CG2 4.45Å; F1426-V1431 PolarHBondContact O-N 3.41Å; C1429-V1431 HydrophobicContact CB-CG2 3.95Å; C1429-V1431 PolarHBondContact O-N 2.8Å; V1431-M1435 HydrophobicContact CB-CE 4.4Å; V1431-M1435 HydrophobicContact CG1-CB 4.29Å; V1431-M1435 HydrophobicContact CG1-CE 4.48Å; V1431-M1435 HydrophobicContact CG2-CE 4.12Å; V1431-L1436 HydrophobicContact CG1-CD2 4.2Å; V1431-L1439 HydrophobicContact CG1-CD1 4.22Å; V1431-L1448 HydrophobicContact CG2-CD1 4.05Å; V1431-L1448 HydrophobicContact CG2-CD2 3.8Å | ||
| 1432 | D | 92.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | trans | -108.6 | 176.4 | 173.7 | 77.5 | 26.8 | 0 | 0 | 0 | 112.9 | K1358 H1406 L1430 R1434 M1435 | K1358-D1432 WeakPolarHBondContact CE-OD2 3.46Å; H1406-D1432 HydrophobicContact CB-CB 4.46Å; L1430-D1432 PolarHBondContact O-N 2.93Å; D1432-R1434 VanDerWaalsContact C-N 3.26Å; D1432-R1434 PolarHBondContact O-N 3.21Å; D1432-R1434 VanDerWaalsContact OD1-CB 3.3Å; D1432-R1434 WeakPolarHBondContact OD1-CB 3.48Å; D1432-R1434 PolarHBondContact OD1-N 3.2Å; D1432-R1434 IonicContact OD1-NE 3.87Å; D1432-R1434 IonicContact OD2-CZ 3.69Å; D1432-R1434 IonicContact OD2-NE 2.73Å; D1432-R1434 PolarHBondContact OD2-NE 2.82Å; D1432-R1434 IonicContact OD2-NH2 2.72Å; D1432-R1434 PolarHBondContact OD2-NH2 3.12Å; D1432-M1435 PolarHBondContact O-N 2.7Å; D1432-M1435 PolarHBondContact OD1-N 3.03Å | ||
| 1433 | A | 90.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.008 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -26.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115 | L1404 I1409 L1436 Y1471 | L1404-A1433 HydrophobicContact CB-CB 3.64Å; L1404-A1433 HydrophobicContact CD1-CB 3.85Å; L1404-A1433 HydrophobicContact CG-CB 4.35Å; L1404-A1433 PolarHBondContact O-N 3.29Å; I1409-A1433 HydrophobicContact CD1-CB 4.18Å; A1433-L1436 HydrophobicContact CB-CD1 4.4Å; A1433-Y1471 HydrophobicContact CB-CD1 4.08Å; A1433-Y1471 HydrophobicContact CB-CE1 4.28Å |
| 1434 | R | 87.9 | Confident | 91.3 | Very high | 17 Ų | 17 | 32.8 Ų | 32.8 | 6% | 0.064 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -38.6 | 177.4 | -63.3 | 170.5 | -76 | -131.9 | -10.5 | 110.5 | L1361 E1365 L1399 D1432 L1436 S1437 H1438 | L1361-R1434 HydrophobicContact CB-CB 4.43Å; E1365-R1434 VanDerWaalsContact OE2-CD 3.23Å; E1365-R1434 WeakPolarHBondContact OE2-CD 3.21Å; E1365-R1434 IonicContact OE2-CZ 3.65Å; E1365-R1434 IonicContact OE2-NE 3.01Å; E1365-R1434 IonicContact OE2-NH1 2.74Å; E1365-R1434 PolarHBondContact OE2-NH1 3.36Å; L1399-R1434 HydrophobicContact CB-CG 4.01Å; L1399-R1434 HydrophobicContact CD2-CG 3.68Å; L1399-R1434 HydrophobicContact CG-CG 4.44Å; L1399-R1434 PolarHBondContact O-NH1 2.88Å; D1432-R1434 VanDerWaalsContact C-N 3.26Å; D1432-R1434 PolarHBondContact O-N 3.21Å; D1432-R1434 VanDerWaalsContact OD1-CB 3.3Å; D1432-R1434 WeakPolarHBondContact OD1-CB 3.48Å; D1432-R1434 PolarHBondContact OD1-N 3.2Å; D1432-R1434 IonicContact OD1-NE 3.87Å; D1432-R1434 IonicContact OD2-CZ 3.69Å; D1432-R1434 IonicContact OD2-NE 2.73Å; D1432-R1434 PolarHBondContact OD2-NE 2.82Å; D1432-R1434 IonicContact OD2-NH2 2.72Å; D1432-R1434 PolarHBondContact OD2-NH2 3.12Å; R1434-L1436 VanDerWaalsContact C-N 3.28Å; R1434-L1436 PolarHBondContact O-N 3.07Å; R1434-S1437 PolarHBondContact O-OG 3Å; R1434-H1438 PolarHBondContact O-CD2 2.75Å; R1434-H1438 VanDerWaalsContact O-CD2 3.32Å |
| 1435 | M | 94 | Very high | 91.2 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -67.6 | -27.3 | -179 | -63.1 | 168.1 | 63.6 | 0 | 0 | 113.1 | L1354 K1358 L1361 V1431 D1432 S1437 H1438 L1439 | L1354-M1435 HydrophobicContact CB-CE 3.85Å; L1354-M1435 HydrophobicContact CD2-CE 4.24Å; L1354-M1435 WeakPolarHBondContact O-CE 3.43Å; K1358-M1435 HydrophobicContact CB-CE 4.35Å; K1358-M1435 HydrophobicContact CB-CG 4.29Å; K1358-M1435 HydrophobicContact CB-SD 3.48Å; K1358-M1435 WeakPolarHBondContact CB-SD 3.3Å; K1358-M1435 HydrophobicContact CD-SD 4.11Å; K1358-M1435 HydrophobicContact CG-CG 4.48Å; K1358-M1435 HydrophobicContact CG-SD 3.67Å; L1361-M1435 HydrophobicContact CD1-CB 4.48Å; L1361-M1435 HydrophobicContact CD1-CG 4.09Å; V1431-M1435 HydrophobicContact CB-CE 4.4Å; V1431-M1435 HydrophobicContact CG1-CB 4.29Å; V1431-M1435 HydrophobicContact CG1-CE 4.48Å; V1431-M1435 HydrophobicContact CG2-CE 4.12Å; D1432-M1435 PolarHBondContact O-N 2.7Å; D1432-M1435 PolarHBondContact OD1-N 3.03Å; M1435-S1437 PolarHBondContact O-N 3.5Å; M1435-S1437 VanDerWaalsContact O-N 3.12Å; M1435-H1438 PolarHBondContact O-N 2.87Å; M1435-L1439 PolarHBondContact O-N 3.48Å |
| 1436 | L | 92.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -54.9 | -34.5 | -172.8 | -66.8 | 176.1 | 0 | 0 | 0 | 114 | I1409 W1413 F1426 V1431 A1433 R1434 H1438 L1439 I1463 L1466 W1587 | I1409-L1436 HydrophobicContact CD1-CD1 3.98Å; W1413-L1436 HydrophobicContact CH2-CD1 3.68Å; W1413-L1436 HydrophobicContact CH2-CD2 4.02Å; W1413-L1436 HydrophobicContact CZ2-CD1 4.17Å; W1413-L1436 HydrophobicContact CZ3-CD1 4Å; W1413-L1436 HydrophobicContact CZ3-CD2 3.95Å; F1426-L1436 HydrophobicContact CE1-CD2 4.45Å; V1431-L1436 HydrophobicContact CG1-CD2 4.2Å; A1433-L1436 HydrophobicContact CB-CD1 4.4Å; R1434-L1436 VanDerWaalsContact C-N 3.28Å; R1434-L1436 PolarHBondContact O-N 3.07Å; L1436-H1438 VanDerWaalsContact C-N 3.27Å; L1436-H1438 PolarHBondContact O-N 3.23Å; L1436-L1439 HydrophobicContact CD2-CD1 4.32Å; L1436-I1463 HydrophobicContact CB-CD1 3.99Å; L1436-I1463 HydrophobicContact CB-CG1 4.01Å; L1436-I1463 HydrophobicContact CB-CG2 4.46Å; L1436-I1463 HydrophobicContact CD1-CG1 4.21Å; L1436-I1463 HydrophobicContact CD2-CD1 4.36Å; L1436-I1463 HydrophobicContact CD2-CG1 4.43Å; L1436-I1463 HydrophobicContact CG-CG1 4.45Å; L1436-L1466 HydrophobicContact CD1-CD1 3.59Å; L1436-W1587 WeakPolarHBondContact O-CH2 3.48Å |
| 1437 | S | 84.5 | Confident | 90.5 | Very high | 40 Ų | 40 | 41 Ų | 41 | 28% | 0.28 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -76.6 | -6.8 | 177.1 | 39.5 | 0 | 0 | 0 | 0 | 114.9 | R1434 M1435 | R1434-S1437 PolarHBondContact O-OG 3Å; M1435-S1437 PolarHBondContact O-N 3.5Å; M1435-S1437 VanDerWaalsContact O-N 3.12Å |
| 1438 | H | 87.1 | Confident | 90.6 | Very high | 96 Ų | 96 | 38.9 Ų | 38.9 | 44% | 0.444 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -120.7 | 1 | -172.6 | -57.4 | -89.9 | 0 | 0 | 0 | 113.8 | L1357 L1361 R1434 M1435 L1436 T1440 | L1357-H1438 HydrophobicContact CD1-CB 4.43Å; L1357-H1438 HydrophobicContact CD2-CB 4.2Å; L1361-H1438 HydrophobicContact CD1-CB 4.47Å; R1434-H1438 PolarHBondContact O-CD2 2.75Å; R1434-H1438 VanDerWaalsContact O-CD2 3.32Å; M1435-H1438 PolarHBondContact O-N 2.87Å; L1436-H1438 VanDerWaalsContact C-N 3.27Å; L1436-H1438 PolarHBondContact O-N 3.23Å; H1438-T1440 PolarHBondContact O-N 3.08Å |
| 1439 | L | 92.3 | Very high | 90.6 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | trans | -73.3 | 122.8 | 179.1 | -62.8 | 175.9 | 0 | 0 | 0 | 111.3 | L1354 V1431 M1435 L1436 D1443 L1444 L1448 | L1354-L1439 HydrophobicContact CD2-CD2 3.76Å; V1431-L1439 HydrophobicContact CG1-CD1 4.22Å; M1435-L1439 PolarHBondContact O-N 3.48Å; L1436-L1439 HydrophobicContact CD2-CD1 4.32Å; L1439-D1443 HydrophobicContact CD2-CB 4.37Å; L1439-L1444 HydrophobicContact CB-CD2 4.12Å; L1439-L1444 HydrophobicContact CB-CG 4.42Å; L1439-L1444 HydrophobicContact CD1-CD2 4.05Å; L1439-L1448 HydrophobicContact CD1-CD1 3.87Å; L1439-L1448 HydrophobicContact CD2-CD1 4.3Å | ||
| 1440 | T | 86.9 | Confident | 90.6 | Very high | 45 Ų | 45 | 37.9 Ų | 37.9 | 28% | 0.276 | 17% | 0.173 | S | C | . | . | trans | -85.8 | 170 | 178.4 | 70.6 | 0 | 0 | 0 | 0 | 112.9 | H1438 R1442 D1443 L1444 V1591 | H1438-T1440 PolarHBondContact O-N 3.08Å; T1440-R1442 PolarHBondContact O-N 2.93Å; T1440-D1443 VanDerWaalsContact CB-OD2 3.3Å; T1440-D1443 WeakPolarHBondContact CB-OD2 3.49Å; T1440-D1443 WeakPolarHBondContact CG2-OD2 3.28Å; T1440-D1443 PolarHBondContact N-OD2 2.93Å; T1440-D1443 PolarHBondContact O-N 3.42Å; T1440-D1443 PolarHBondContact OG1-N 3.11Å; T1440-D1443 VanDerWaalsContact OG1-N 3.1Å; T1440-D1443 PolarHBondContact OG1-OD2 3.2Å; T1440-L1444 WeakPolarHBondContact O-CG 3.41Å; T1440-L1444 PolarHBondContact O-N 3.15Å; T1440-V1591 VanDerWaalsContact C-CG1 3.41Å; T1440-V1591 WeakPolarHBondContact CB-O 3.45Å | ||
| 1441 | K | 84.5 | Confident | 90.2 | Very high | 35 Ų | 35 | 42.1 Ų | 42.1 | 15% | 0.152 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.2 | -34.8 | 178.7 | -147.4 | 176.5 | -169.2 | 178.8 | 0 | 109.4 | R1445 V1591 E1592 | K1441-R1445 VanDerWaalsContact O-CB 3.26Å; K1441-R1445 WeakPolarHBondContact O-CB 3.3Å; K1441-R1445 WeakPolarHBondContact O-CG 3.41Å; K1441-R1445 PolarHBondContact O-N 3.46Å; K1441-R1445 VanDerWaalsContact O-N 3.11Å; K1441-V1591 HydrophobicContact CB-CG1 3.81Å; K1441-V1591 VanDerWaalsContact CB-O 3.29Å; K1441-V1591 WeakPolarHBondContact CB-O 3.23Å; K1441-V1591 HydrophobicContact CG-CG1 4.43Å; K1441-V1591 PolarHBondContact N-O 3Å; K1441-E1592 HydrophobicContact CD-CB 4.14Å; K1441-E1592 HydrophobicContact CD-CG 4.06Å; K1441-E1592 WeakPolarHBondContact CD-OE1 3.48Å; K1441-E1592 WeakPolarHBondContact CE-OE1 3.33Å; K1441-E1592 IonicContact NZ-OE1 3.49Å; K1441-E1592 PolarHBondContact NZ-OE1 3.19Å; K1441-E1592 IonicContact NZ-OE2 2.74Å; K1441-E1592 PolarHBondContact NZ-OE2 3.17Å |
| 1442 | R | 84.1 | Confident | 90.1 | Very high | 168 Ų | 168 | 45.2 Ų | 45.2 | 63% | 0.634 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -67.3 | -46.1 | 173.8 | -171.9 | -179.7 | 176.3 | 81.3 | 0.9 | 111.3 | T1440 R1445 I1446 | T1440-R1442 PolarHBondContact O-N 2.93Å; R1442-R1445 PolarHBondContact O-N 3.34Å; R1442-I1446 HydrophobicContact CG-CD1 3.66Å; R1442-I1446 HydrophobicContact CG-CG1 4.29Å; R1442-I1446 VanDerWaalsContact O-CB 3.27Å; R1442-I1446 WeakPolarHBondContact O-CB 3.35Å; R1442-I1446 WeakPolarHBondContact O-CG1 3.14Å; R1442-I1446 PolarHBondContact O-N 3.23Å |
| 1443 | D | 92.8 | Very high | 90 | Very high | 20 Ų | 20 | 51.1 Ų | 51.1 | 11% | 0.107 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -63.7 | -48.4 | 177.4 | -60.2 | -52.3 | 0 | 0 | 0 | 112.1 | L1354 L1439 T1440 R1445 H1447 L1448 | L1354-D1443 HydrophobicContact CD2-CB 4.21Å; L1439-D1443 HydrophobicContact CD2-CB 4.37Å; T1440-D1443 VanDerWaalsContact CB-OD2 3.3Å; T1440-D1443 WeakPolarHBondContact CB-OD2 3.49Å; T1440-D1443 WeakPolarHBondContact CG2-OD2 3.28Å; T1440-D1443 PolarHBondContact N-OD2 2.93Å; T1440-D1443 PolarHBondContact O-N 3.42Å; T1440-D1443 PolarHBondContact OG1-N 3.11Å; T1440-D1443 VanDerWaalsContact OG1-N 3.1Å; T1440-D1443 PolarHBondContact OG1-OD2 3.2Å; D1443-R1445 VanDerWaalsContact C-N 3.33Å; D1443-R1445 PolarHBondContact O-N 3.24Å; D1443-H1447 WeakPolarHBondContact O-CB 3.35Å; D1443-H1447 PolarHBondContact O-N 3.04Å; D1443-H1447 IonicContact OD1-CD2 3.23Å; D1443-H1447 PolarHBondContact OD1-CD2 3.36Å; D1443-L1448 PolarHBondContact O-N 3.22Å |
| 1444 | L | 93.4 | Very high | 90.1 | Very high | 8 Ų | 8 | 53.6 Ų | 53.6 | 4% | 0.042 | 25% | 0.254 | C | S | . | . | I | π-helix | trans | -57.8 | -45.7 | 177.8 | -64.6 | 177.9 | 0 | 0 | 0 | 111 | L1439 T1440 L1448 K1449 M1450 R1456 L1459 | L1439-L1444 HydrophobicContact CB-CD2 4.12Å; L1439-L1444 HydrophobicContact CB-CG 4.42Å; L1439-L1444 HydrophobicContact CD1-CD2 4.05Å; T1440-L1444 WeakPolarHBondContact O-CG 3.41Å; T1440-L1444 PolarHBondContact O-N 3.15Å; L1444-L1448 HydrophobicContact CD2-CD1 4.22Å; L1444-L1448 CarbonylContact O-C 3.56Å; L1444-K1449 PolarHBondContact O-N 3.25Å; L1444-K1449 VanDerWaalsContact O-N 3.15Å; L1444-M1450 WeakPolarHBondContact O-CA 3.49Å; L1444-M1450 WeakPolarHBondContact O-CB 3.19Å; L1444-M1450 PolarHBondContact O-N 3.18Å; L1444-R1456 HydrophobicContact CB-CG 4.34Å; L1444-R1456 HydrophobicContact CD1-CG 4.02Å; L1444-L1459 HydrophobicContact CD2-CD2 3.58Å |
| 1445 | R | 91 | Very high | 90.5 | Very high | 104 Ų | 104 | 53.2 Ų | 53.2 | 39% | 0.392 | 25% | 0.253 | S | S | . | . | I | π-helix | trans | -76.4 | -48.1 | -177.9 | -73.1 | 176.6 | 160.7 | 179.8 | -6.9 | 114.2 | K1441 R1442 D1443 K1449 | K1441-R1445 VanDerWaalsContact O-CB 3.26Å; K1441-R1445 WeakPolarHBondContact O-CB 3.3Å; K1441-R1445 WeakPolarHBondContact O-CG 3.41Å; K1441-R1445 PolarHBondContact O-N 3.46Å; K1441-R1445 VanDerWaalsContact O-N 3.11Å; R1442-R1445 PolarHBondContact O-N 3.34Å; D1443-R1445 VanDerWaalsContact C-N 3.33Å; D1443-R1445 PolarHBondContact O-N 3.24Å; R1445-K1449 WeakPolarHBondContact O-CA 3.44Å |
| 1446 | I | 87.3 | Confident | 90.5 | Very high | 90 Ų | 90 | 53.9 Ų | 53.9 | 46% | 0.462 | 26% | 0.255 | S | S | . | . | I | π-helix | trans | -88.2 | -50.9 | -170.7 | -57.6 | -175.1 | 0 | 0 | 0 | 111.4 | R1442 | R1442-I1446 HydrophobicContact CG-CD1 3.66Å; R1442-I1446 HydrophobicContact CG-CG1 4.29Å; R1442-I1446 VanDerWaalsContact O-CB 3.27Å; R1442-I1446 WeakPolarHBondContact O-CB 3.35Å; R1442-I1446 WeakPolarHBondContact O-CG1 3.14Å; R1442-I1446 PolarHBondContact O-N 3.23Å |
| 1447 | H | 90 | Very high | 90.5 | Very high | 55 Ų | 55 | 55.6 Ų | 55.6 | 26% | 0.255 | 26% | 0.264 | S | S | . | . | I | π-helix | trans | -85.7 | -42.5 | -173.8 | -65.6 | -55.3 | 0 | 0 | 0 | 112 | L1354 D1443 | L1354-H1447 HydrophobicContact CD1-CB 3.66Å; L1354-H1447 HydrophobicContact CG-CB 4.47Å; D1443-H1447 WeakPolarHBondContact O-CB 3.35Å; D1443-H1447 PolarHBondContact O-N 3.04Å; D1443-H1447 IonicContact OD1-CD2 3.23Å; D1443-H1447 PolarHBondContact OD1-CD2 3.36Å |
| 1448 | L | 95 | Very high | 91 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -96.8 | 1.7 | -178.5 | -52.1 | -176.2 | 0 | 0 | 0 | 114 | L1354 S1425 F1426 C1429 V1431 L1439 D1443 L1444 M1450 | L1354-L1448 HydrophobicContact CD1-CD2 3.91Å; L1354-L1448 HydrophobicContact CD1-CG 4.17Å; S1425-L1448 WeakPolarHBondContact O-CD2 3.35Å; F1426-L1448 HydrophobicContact CD1-CD1 4.49Å; F1426-L1448 HydrophobicContact CD2-CB 4.27Å; F1426-L1448 HydrophobicContact CD2-CD1 4.14Å; F1426-L1448 HydrophobicContact CD2-CD2 4.28Å; F1426-L1448 HydrophobicContact CD2-CG 4.47Å; F1426-L1448 HydrophobicContact CE1-CD1 4.12Å; F1426-L1448 HydrophobicContact CE2-CB 3.96Å; F1426-L1448 HydrophobicContact CE2-CD1 3.73Å; F1426-L1448 HydrophobicContact CE2-CG 4.31Å; F1426-L1448 HydrophobicContact CZ-CD1 3.72Å; C1429-L1448 HydrophobicContact CB-CD2 3.6Å; V1431-L1448 HydrophobicContact CG2-CD1 4.05Å; V1431-L1448 HydrophobicContact CG2-CD2 3.8Å; L1439-L1448 HydrophobicContact CD1-CD1 3.87Å; L1439-L1448 HydrophobicContact CD2-CD1 4.3Å; D1443-L1448 PolarHBondContact O-N 3.22Å; L1444-L1448 HydrophobicContact CD2-CD1 4.22Å; L1444-L1448 CarbonylContact O-C 3.56Å; L1448-M1450 PolarHBondContact O-N 2.83Å; L1448-M1450 VanDerWaalsContact O-N 3.08Å |
| 1449 | K | 93.5 | Very high | 91.4 | Very high | 103 Ų | 103 | 49.2 Ų | 49.2 | 45% | 0.448 | 23% | 0.23 | S | C | . | . | trans | 60.6 | 17.4 | 170.9 | -50.8 | 173.4 | -162.3 | 130.4 | 0 | 114.1 | S1425 E1428 L1444 R1445 V1451 | S1425-K1449 WeakPolarHBondContact OG-CD 3.49Å; S1425-K1449 PolarHBondContact OG-NZ 3.4Å; E1428-K1449 IonicContact OE2-NZ 3.4Å; E1428-K1449 PolarHBondContact OE2-NZ 3.44Å; L1444-K1449 PolarHBondContact O-N 3.25Å; L1444-K1449 VanDerWaalsContact O-N 3.15Å; R1445-K1449 WeakPolarHBondContact O-CA 3.44Å; K1449-V1451 PolarHBondContact O-N 3.04Å; K1449-V1451 VanDerWaalsContact O-N 3.15Å | ||
| 1450 | M | 94.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -88.5 | 70.5 | -178.9 | -164.5 | -176.2 | -80.8 | 0 | 0 | 110.7 | L1419 Y1422 F1426 L1444 L1448 H1455 R1456 L1459 | L1419-M1450 HydrophobicContact CD1-CE 4.27Å; Y1422-M1450 HydrophobicContact CD1-CB 4.14Å; Y1422-M1450 HydrophobicContact CD1-CE 4.36Å; Y1422-M1450 HydrophobicContact CD1-CG 4.42Å; Y1422-M1450 HydrophobicContact CD2-CE 3.58Å; Y1422-M1450 HydrophobicContact CD2-CG 4.5Å; Y1422-M1450 HydrophobicContact CE1-CB 3.93Å; Y1422-M1450 HydrophobicContact CE1-CG 4.06Å; Y1422-M1450 HydrophobicContact CE2-CE 4.01Å; Y1422-M1450 HydrophobicContact CE2-CG 4.1Å; Y1422-M1450 HydrophobicContact CG-CE 3.77Å; F1426-M1450 HydrophobicContact CE2-CE 4.02Å; F1426-M1450 HydrophobicContact CZ-CE 4.26Å; L1444-M1450 WeakPolarHBondContact O-CA 3.49Å; L1444-M1450 WeakPolarHBondContact O-CB 3.19Å; L1444-M1450 PolarHBondContact O-N 3.18Å; L1448-M1450 PolarHBondContact O-N 2.83Å; L1448-M1450 VanDerWaalsContact O-N 3.08Å; M1450-H1455 HydrophobicContact CG-CB 4.02Å; M1450-H1455 HydrophobicContact SD-CB 4.21Å; M1450-R1456 HydrophobicContact CB-CG 4.43Å; M1450-R1456 HydrophobicContact CG-CG 3.79Å; M1450-R1456 WeakPolarHBondContact O-CD 3.28Å; M1450-R1456 PolarHBondContact O-NE 3.39Å; M1450-R1456 HydrophobicContact SD-CB 4.4Å; M1450-R1456 HydrophobicContact SD-CG 3.67Å; M1450-L1459 HydrophobicContact CE-CB 4.48Å; M1450-L1459 HydrophobicContact CE-CD2 4.15Å; M1450-L1459 HydrophobicContact SD-CB 4.29Å; M1450-L1459 HydrophobicContact SD-CD2 4.03Å | ||
| 1451 | V | 86.7 | Confident | 92 | Very high | 99 Ų | 99 | 48.3 Ų | 48.3 | 60% | 0.6 | 22% | 0.222 | S | C | * | . | trans | -65.6 | -42.9 | 179.4 | -178.1 | 0 | 0 | 0 | 0 | 111.7 | K1449 R1456 | K1449-V1451 PolarHBondContact O-N 3.04Å; K1449-V1451 VanDerWaalsContact O-N 3.15Å; V1451-R1456 PolarHBondContact O-NE 3.41Å; V1451-R1456 PolarHBondContact O-NH2 3.15Å | ||
| 1452 | D | 91.3 | Very high | 92.4 | Very high | 66 Ų | 66 | 46.7 Ų | 46.7 | 35% | 0.353 | 22% | 0.215 | S | C | . | . | trans | -48.4 | 140.4 | 179.7 | -162.8 | -48.5 | 0 | 0 | 0 | 112.6 | F1454 H1455 R1456 | D1452-F1454 WeakPolarHBondContact OD1-CB 3.37Å; D1452-F1454 PolarHBondContact OD1-N 2.84Å; D1452-H1455 HydrophobicContact CB-CB 4.12Å; D1452-H1455 VanDerWaalsContact CB-ND1 3.35Å; D1452-H1455 WeakPolarHBondContact CB-ND1 3.48Å; D1452-H1455 PolarHBondContact OD1-N 2.89Å; D1452-H1455 IonicContact OD1-ND1 3.16Å; D1452-H1455 IonicContact OD2-CE1 2.72Å; D1452-H1455 PolarHBondContact OD2-CE1 3.36Å; D1452-H1455 IonicContact OD2-ND1 2.75Å; D1452-H1455 PolarHBondContact OD2-ND1 3.05Å; D1452-R1456 WeakPolarHBondContact O-CG 3.37Å; D1452-R1456 PolarHBondContact O-NE 2.97Å; D1452-R1456 PolarHBondContact O-NH2 3.26Å | ||
| 1453 | Q | 89.6 | Confident | 92.8 | Very high | 124 Ų | 124 | 38.8 Ų | 38.8 | 58% | 0.579 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -83.2 | -38.4 | 178.4 | -177.5 | 153.2 | -41.9 | 0 | 0 | 112.6 | R1456 L1457 | Q1453-R1456 PolarHBondContact O-N 3.31Å; Q1453-L1457 PolarHBondContact O-N 3.13Å |
| 1454 | F | 93 | Very high | 92.6 | Very high | 54 Ų | 54 | 39.9 Ų | 39.9 | 24% | 0.237 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.9 | -42.3 | -179.2 | -174.5 | -108.6 | 0 | 0 | 0 | 111.1 | D1452 R1456 L1457 S1458 S1517 V1519 L1523 F1530 I1538 | D1452-F1454 WeakPolarHBondContact OD1-CB 3.37Å; D1452-F1454 PolarHBondContact OD1-N 2.84Å; F1454-R1456 VanDerWaalsContact C-N 3.29Å; F1454-R1456 PolarHBondContact O-N 3.19Å; F1454-L1457 PolarHBondContact O-N 3.47Å; F1454-S1458 WeakPolarHBondContact O-CB 3.29Å; F1454-S1458 PolarHBondContact O-N 2.82Å; F1454-S1517 VanDerWaalsContact CE1-O 3.26Å; F1454-S1517 WeakPolarHBondContact CE1-O 3.32Å; F1454-V1519 HydrophobicContact CE1-CG2 4.16Å; F1454-V1519 HydrophobicContact CZ-CG2 4.17Å; F1454-L1523 HydrophobicContact CE1-CD2 4.4Å; F1454-L1523 HydrophobicContact CE2-CD2 4.14Å; F1454-L1523 HydrophobicContact CZ-CD2 3.6Å; F1454-F1530 HydrophobicContact CE2-CD2 4.41Å; F1454-F1530 HydrophobicContact CZ-CD2 4.41Å; F1454-F1530 HydrophobicContact CZ-CE2 4.11Å; F1454-I1538 HydrophobicContact CE1-CD1 3.69Å; F1454-I1538 HydrophobicContact CE1-CG1 4.41Å; F1454-I1538 HydrophobicContact CE2-CD1 4.03Å; F1454-I1538 HydrophobicContact CZ-CD1 3.32Å; F1454-I1538 HydrophobicContact CZ-CG1 4.43Å |
| 1455 | H | 96 | Very high | 92.5 | Very high | 9 Ų | 9 | 40.1 Ų | 40.1 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.8 | -30.7 | 174.5 | -60.3 | 133.3 | 0 | 0 | 0 | 113.3 | L1419 Y1422 M1450 D1452 L1459 D1516 S1517 | L1419-H1455 HydrophobicContact CD2-CB 3.76Å; L1419-H1455 VanDerWaalsContact CD2-CD2 3.45Å; L1419-H1455 WeakPolarHBondContact CD2-CD2 3.25Å; Y1422-H1455 HydrophobicContact CE2-CB 3.88Å; Y1422-H1455 AromaticContact CE2-CG 3.82Å; Y1422-H1455 AromaticContact CE2-ND1 3.79Å; Y1422-H1455 AromaticContact CZ-ND1 3.93Å; Y1422-H1455 PolarHBondContact OH-ND1 3.19Å; Y1422-H1455 VanDerWaalsContact OH-ND1 3.15Å; M1450-H1455 HydrophobicContact CG-CB 4.02Å; M1450-H1455 HydrophobicContact SD-CB 4.21Å; D1452-H1455 HydrophobicContact CB-CB 4.12Å; D1452-H1455 VanDerWaalsContact CB-ND1 3.35Å; D1452-H1455 WeakPolarHBondContact CB-ND1 3.48Å; D1452-H1455 PolarHBondContact OD1-N 2.89Å; D1452-H1455 IonicContact OD1-ND1 3.16Å; D1452-H1455 IonicContact OD2-CE1 2.72Å; D1452-H1455 PolarHBondContact OD2-CE1 3.36Å; D1452-H1455 IonicContact OD2-ND1 2.75Å; D1452-H1455 PolarHBondContact OD2-ND1 3.05Å; H1455-L1459 WeakPolarHBondContact O-CB 3.35Å; H1455-L1459 PolarHBondContact O-N 3.05Å; H1455-D1516 PolarHBondContact NE2-O 3.11Å; H1455-S1517 PolarHBondContact CD2-O 2.69Å; H1455-S1517 PolarHBondContact NE2-O 3.21Å |
| 1456 | R | 95 | Very high | 92.5 | Very high | 13 Ų | 13 | 35.3 Ų | 35.3 | 5% | 0.049 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -71.1 | -37.2 | 173.4 | -75 | -177.6 | -78.6 | 118.8 | 1.6 | 112 | L1444 M1450 V1451 D1452 Q1453 F1454 Y1460 | L1444-R1456 HydrophobicContact CB-CG 4.34Å; L1444-R1456 HydrophobicContact CD1-CG 4.02Å; M1450-R1456 HydrophobicContact CB-CG 4.43Å; M1450-R1456 HydrophobicContact CG-CG 3.79Å; M1450-R1456 WeakPolarHBondContact O-CD 3.28Å; M1450-R1456 PolarHBondContact O-NE 3.39Å; M1450-R1456 HydrophobicContact SD-CB 4.4Å; M1450-R1456 HydrophobicContact SD-CG 3.67Å; V1451-R1456 PolarHBondContact O-NE 3.41Å; V1451-R1456 PolarHBondContact O-NH2 3.15Å; D1452-R1456 WeakPolarHBondContact O-CG 3.37Å; D1452-R1456 PolarHBondContact O-NE 2.97Å; D1452-R1456 PolarHBondContact O-NH2 3.26Å; Q1453-R1456 PolarHBondContact O-N 3.31Å; F1454-R1456 VanDerWaalsContact C-N 3.29Å; F1454-R1456 PolarHBondContact O-N 3.19Å; R1456-Y1460 PolarHBondContact O-N 2.86Å |
| 1457 | L | 92.3 | Very high | 92.5 | Very high | 36 Ų | 36 | 35.6 Ų | 35.6 | 19% | 0.188 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.2 | -44.4 | 174.6 | -172.4 | 62.6 | 0 | 0 | 0 | 111.5 | Q1453 F1454 L1459 Y1460 Y1461 D1527 I1588 | Q1453-L1457 PolarHBondContact O-N 3.13Å; F1454-L1457 PolarHBondContact O-N 3.47Å; L1457-L1459 PolarHBondContact O-N 2.91Å; L1457-Y1460 WeakPolarHBondContact O-CB 3.36Å; L1457-Y1460 PolarHBondContact O-N 3.06Å; L1457-Y1461 HydrophobicContact CD1-CD2 4.1Å; L1457-Y1461 HydrophobicContact CD1-CE2 3.42Å; L1457-Y1461 VanDerWaalsContact CD1-CE2 3.42Å; L1457-Y1461 HydrophobicContact CD2-CE2 4.29Å; L1457-Y1461 HydrophobicContact CG-CD2 3.99Å; L1457-Y1461 HydrophobicContact CG-CE2 3.58Å; L1457-Y1461 WeakPolarHBondContact O-CD2 3.47Å; L1457-Y1461 PolarHBondContact O-N 2.74Å; L1457-D1527 WeakPolarHBondContact CD2-OD2 3.46Å; L1457-I1588 HydrophobicContact CD1-CD1 4.16Å |
| 1458 | S | 94.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -55 | -49.3 | 170 | 166.7 | 0 | 0 | 0 | 0 | 112.2 | F1454 Y1460 Y1461 G1462 G1518 H1520 | F1454-S1458 WeakPolarHBondContact O-CB 3.29Å; F1454-S1458 PolarHBondContact O-N 2.82Å; S1458-Y1460 VanDerWaalsContact C-N 3.3Å; S1458-Y1460 PolarHBondContact O-N 3.37Å; S1458-Y1461 PolarHBondContact O-N 3.03Å; S1458-G1462 PolarHBondContact O-N 2.62Å; S1458-G1518 WeakPolarHBondContact CB-O 3.48Å; S1458-G1518 WeakPolarHBondContact OG-CA 3.46Å; S1458-G1518 PolarHBondContact OG-O 3.27Å; S1458-H1520 PolarHBondContact O-CE1 3.06Å; S1458-H1520 VanDerWaalsContact O-CE1 3.3Å; S1458-H1520 PolarHBondContact OG-CE1 3.06Å; S1458-H1520 PolarHBondContact OG-ND1 2.93Å |
| 1459 | L | 96.4 | Very high | 91.7 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.3 | -42.8 | 176.2 | -176.8 | 70.1 | 0 | 0 | 0 | 111.5 | W1413 L1414 L1417 L1419 F1426 L1444 M1450 H1455 L1457 G1462 I1463 | W1413-L1459 HydrophobicContact CH2-CD1 3.74Å; W1413-L1459 HydrophobicContact CZ3-CD1 3.85Å; L1414-L1459 HydrophobicContact CD1-CD1 4.1Å; L1417-L1459 HydrophobicContact CD1-CD1 4.31Å; L1419-L1459 HydrophobicContact CD1-CB 4.13Å; L1419-L1459 HydrophobicContact CD1-CD1 4.41Å; F1426-L1459 HydrophobicContact CE1-CD1 4.37Å; F1426-L1459 HydrophobicContact CZ-CD1 4.12Å; F1426-L1459 HydrophobicContact CZ-CD2 3.95Å; L1444-L1459 HydrophobicContact CD2-CD2 3.58Å; M1450-L1459 HydrophobicContact CE-CB 4.48Å; M1450-L1459 HydrophobicContact CE-CD2 4.15Å; M1450-L1459 HydrophobicContact SD-CB 4.29Å; M1450-L1459 HydrophobicContact SD-CD2 4.03Å; H1455-L1459 WeakPolarHBondContact O-CB 3.35Å; H1455-L1459 PolarHBondContact O-N 3.05Å; L1457-L1459 PolarHBondContact O-N 2.91Å; L1459-G1462 PolarHBondContact O-N 3.42Å; L1459-I1463 HydrophobicContact CG-CD1 4.05Å; L1459-I1463 VanDerWaalsContact O-CG1 3.25Å; L1459-I1463 WeakPolarHBondContact O-CG1 3.41Å; L1459-I1463 PolarHBondContact O-N 3.46Å |
| 1460 | Y | 94.5 | Very high | 90.9 | Very high | 17 Ų | 17 | 38.1 Ų | 38.1 | 7% | 0.067 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.3 | -49 | 176.9 | 170.5 | -105.4 | 0 | 0 | 0 | 112.4 | R1456 L1457 S1458 G1462 I1463 M1464 T1583 A1584 W1587 | R1456-Y1460 PolarHBondContact O-N 2.86Å; L1457-Y1460 WeakPolarHBondContact O-CB 3.36Å; L1457-Y1460 PolarHBondContact O-N 3.06Å; S1458-Y1460 VanDerWaalsContact C-N 3.3Å; S1458-Y1460 PolarHBondContact O-N 3.37Å; Y1460-G1462 VanDerWaalsContact C-N 3.32Å; Y1460-G1462 PolarHBondContact O-N 2.87Å; Y1460-I1463 CarbonylContact O-C 3.22Å; Y1460-I1463 WeakPolarHBondContact O-CA 3.31Å; Y1460-I1463 WeakPolarHBondContact O-CB 3.41Å; Y1460-I1463 PolarHBondContact O-N 2.92Å; Y1460-I1463 VanDerWaalsContact O-N 3.08Å; Y1460-M1464 HydrophobicContact CD1-CG 4.46Å; Y1460-M1464 HydrophobicContact CD1-SD 4.25Å; Y1460-M1464 HydrophobicContact CE1-CG 4.1Å; Y1460-M1464 HydrophobicContact CE1-SD 3.51Å; Y1460-M1464 VanDerWaalsContact CE1-SD 3.51Å; Y1460-M1464 HydrophobicContact CE2-CG 4.27Å; Y1460-M1464 WeakPolarHBondContact O-CG 3.5Å; Y1460-M1464 PolarHBondContact O-N 3.07Å; Y1460-T1583 PolarHBondContact OH-O 2.86Å; Y1460-A1584 HydrophobicContact CE1-CB 3.72Å; Y1460-W1587 HydrophobicContact CD2-CB 4.07Å; Y1460-W1587 AromaticContact CD2-CD2 3.67Å; Y1460-W1587 HydrophobicContact CD2-CD2 3.67Å; Y1460-W1587 AromaticContact CD2-CE3 3.39Å; Y1460-W1587 HydrophobicContact CD2-CE3 3.39Å; Y1460-W1587 AromaticContact CD2-CG 3.96Å; Y1460-W1587 HydrophobicContact CD2-CG 3.96Å; Y1460-W1587 HydrophobicContact CD2-CZ3 4.1Å; Y1460-W1587 HydrophobicContact CE2-CB 3.59Å; Y1460-W1587 AromaticContact CE2-CD2 3.79Å; Y1460-W1587 HydrophobicContact CE2-CD2 3.79Å; Y1460-W1587 HydrophobicContact CE2-CE3 4.01Å; Y1460-W1587 AromaticContact CE2-CG 3.6Å; Y1460-W1587 HydrophobicContact CE2-CG 3.6Å; Y1460-W1587 HydrophobicContact CG-CE3 4.3Å |
| 1461 | Y | 95.2 | Very high | 90.5 | Very high | 12 Ų | 12 | 39.5 Ų | 39.5 | 5% | 0.047 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68 | -31.2 | 177.6 | -68.8 | -62.4 | 0 | 0 | 0 | 113.1 | L1457 S1458 M1464 C1465 L1523 L1526 D1527 | L1457-Y1461 HydrophobicContact CD1-CD2 4.1Å; L1457-Y1461 HydrophobicContact CD1-CE2 3.42Å; L1457-Y1461 VanDerWaalsContact CD1-CE2 3.42Å; L1457-Y1461 HydrophobicContact CD2-CE2 4.29Å; L1457-Y1461 HydrophobicContact CG-CD2 3.99Å; L1457-Y1461 HydrophobicContact CG-CE2 3.58Å; L1457-Y1461 WeakPolarHBondContact O-CD2 3.47Å; L1457-Y1461 PolarHBondContact O-N 2.74Å; S1458-Y1461 PolarHBondContact O-N 3.03Å; Y1461-M1464 HydrophobicContact CD1-SD 3.68Å; Y1461-M1464 HydrophobicContact CE1-SD 3.9Å; Y1461-M1464 PolarHBondContact O-N 3.12Å; Y1461-C1465 PolarHBondContact O-N 3.23Å; Y1461-L1523 HydrophobicContact CD2-CD1 3.62Å; Y1461-L1523 HydrophobicContact CE2-CD1 4.2Å; Y1461-L1526 HydrophobicContact CD1-CB 3.41Å; Y1461-L1526 VanDerWaalsContact CD1-CB 3.41Å; Y1461-L1526 HydrophobicContact CD1-CD1 4.26Å; Y1461-L1526 HydrophobicContact CE1-CB 3.82Å; Y1461-L1526 WeakPolarHBondContact CE1-O 3.24Å; Y1461-L1526 HydrophobicContact CG-CB 4.21Å; Y1461-D1527 HydrophobicContact CD2-CB 3.93Å; Y1461-D1527 HydrophobicContact CE1-CB 4.46Å; Y1461-D1527 HydrophobicContact CE2-CB 3.4Å; Y1461-D1527 VanDerWaalsContact CE2-CB 3.4Å; Y1461-D1527 WeakPolarHBondContact CE2-OD2 3.48Å |
| 1462 | G | 94.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.7 | -42.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1458 L1459 Y1460 C1465 L1466 | S1458-G1462 PolarHBondContact O-N 2.62Å; L1459-G1462 PolarHBondContact O-N 3.42Å; Y1460-G1462 VanDerWaalsContact C-N 3.32Å; Y1460-G1462 PolarHBondContact O-N 2.87Å; G1462-C1465 WeakPolarHBondContact O-CB 3.44Å; G1462-C1465 PolarHBondContact O-N 3.5Å; G1462-L1466 PolarHBondContact O-N 3.32Å; G1462-L1466 VanDerWaalsContact O-N 3.13Å |
| 1463 | I | 92.1 | Very high | 89.9 | Confident | 3 Ų | 3 | 35.7 Ų | 35.7 | 2% | 0.015 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.2 | -39.6 | 174.9 | -64.8 | 163.8 | 0 | 0 | 0 | 110.8 | W1413 L1436 L1459 Y1460 C1465 L1466 K1467 W1587 | W1413-I1463 HydrophobicContact CH2-CG1 3.94Å; W1413-I1463 HydrophobicContact CZ2-CG1 4.3Å; L1436-I1463 HydrophobicContact CB-CD1 3.99Å; L1436-I1463 HydrophobicContact CB-CG1 4.01Å; L1436-I1463 HydrophobicContact CB-CG2 4.46Å; L1436-I1463 HydrophobicContact CD1-CG1 4.21Å; L1436-I1463 HydrophobicContact CD2-CD1 4.36Å; L1436-I1463 HydrophobicContact CD2-CG1 4.43Å; L1436-I1463 HydrophobicContact CG-CG1 4.45Å; L1459-I1463 HydrophobicContact CG-CD1 4.05Å; L1459-I1463 VanDerWaalsContact O-CG1 3.25Å; L1459-I1463 WeakPolarHBondContact O-CG1 3.41Å; L1459-I1463 PolarHBondContact O-N 3.46Å; Y1460-I1463 CarbonylContact O-C 3.22Å; Y1460-I1463 WeakPolarHBondContact O-CA 3.31Å; Y1460-I1463 WeakPolarHBondContact O-CB 3.41Å; Y1460-I1463 PolarHBondContact O-N 2.92Å; Y1460-I1463 VanDerWaalsContact O-N 3.08Å; I1463-C1465 VanDerWaalsContact C-N 3.27Å; I1463-C1465 PolarHBondContact O-N 3.32Å; I1463-L1466 PolarHBondContact O-N 3.43Å; I1463-K1467 HydrophobicContact CG2-CD 4.3Å; I1463-K1467 WeakPolarHBondContact O-CG 3.42Å; I1463-K1467 PolarHBondContact O-N 3.36Å; I1463-W1587 HydrophobicContact CD1-CH2 4.3Å |
| 1464 | M | 89.1 | Confident | 89.6 | Confident | 42 Ų | 42 | 33.3 Ų | 33.3 | 21% | 0.207 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.6 | -34.7 | 173.2 | -66.5 | -166.7 | 94.1 | 0 | 0 | 112.3 | Y1460 Y1461 K1467 R1468 L1526 | Y1460-M1464 HydrophobicContact CD1-CG 4.46Å; Y1460-M1464 HydrophobicContact CD1-SD 4.25Å; Y1460-M1464 HydrophobicContact CE1-CG 4.1Å; Y1460-M1464 HydrophobicContact CE1-SD 3.51Å; Y1460-M1464 VanDerWaalsContact CE1-SD 3.51Å; Y1460-M1464 HydrophobicContact CE2-CG 4.27Å; Y1460-M1464 WeakPolarHBondContact O-CG 3.5Å; Y1460-M1464 PolarHBondContact O-N 3.07Å; Y1461-M1464 HydrophobicContact CD1-SD 3.68Å; Y1461-M1464 HydrophobicContact CE1-SD 3.9Å; Y1461-M1464 PolarHBondContact O-N 3.12Å; M1464-K1467 PolarHBondContact O-N 2.58Å; M1464-R1468 WeakPolarHBondContact O-CB 3.43Å; M1464-R1468 WeakPolarHBondContact O-CG 3.39Å; M1464-R1468 PolarHBondContact O-N 3.08Å; M1464-L1526 HydrophobicContact CB-CD1 3.8Å |
| 1465 | C | 91.3 | Very high | 89.2 | Confident | 14 Ų | 14 | 33 Ų | 33 | 10% | 0.095 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.4 | -44.8 | 174.5 | -170.8 | 0 | 0 | 0 | 0 | 111.7 | Y1461 G1462 I1463 K1467 R1468 L1469 L1491 A1522 | Y1461-C1465 PolarHBondContact O-N 3.23Å; G1462-C1465 WeakPolarHBondContact O-CB 3.44Å; G1462-C1465 PolarHBondContact O-N 3.5Å; I1463-C1465 VanDerWaalsContact C-N 3.27Å; I1463-C1465 PolarHBondContact O-N 3.32Å; C1465-K1467 VanDerWaalsContact C-N 3.35Å; C1465-K1467 PolarHBondContact O-N 2.99Å; C1465-R1468 PolarHBondContact O-N 3.22Å; C1465-L1469 WeakPolarHBondContact O-CG 3.42Å; C1465-L1469 PolarHBondContact O-N 3.43Å; C1465-L1491 PolarHBondContact SG-O 3.43Å; C1465-A1522 HydrophobicContact CB-CB 3.6Å |
| 1466 | L | 90.4 | Very high | 88.8 | Confident | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.016 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.4 | -45.4 | 172.5 | -67.5 | -175.4 | 0 | 0 | 0 | 112.1 | W1408 W1413 L1436 G1462 I1463 R1468 L1469 D1470 Y1471 I1476 | W1408-L1466 HydrophobicContact CH2-CD2 4.13Å; W1408-L1466 HydrophobicContact CZ3-CD2 4.4Å; W1413-L1466 HydrophobicContact CD2-CD1 4.35Å; W1413-L1466 HydrophobicContact CH2-CD1 4.32Å; W1413-L1466 HydrophobicContact CZ2-CD1 3.53Å; W1413-L1466 HydrophobicContact CZ2-CG 3.96Å; L1436-L1466 HydrophobicContact CD1-CD1 3.59Å; G1462-L1466 PolarHBondContact O-N 3.32Å; G1462-L1466 VanDerWaalsContact O-N 3.13Å; I1463-L1466 PolarHBondContact O-N 3.43Å; L1466-R1468 PolarHBondContact O-N 2.79Å; L1466-L1469 CarbonylContact O-C 3.56Å; L1466-L1469 PolarHBondContact O-N 2.95Å; L1466-L1469 VanDerWaalsContact O-N 3.12Å; L1466-D1470 PolarHBondContact O-N 3.5Å; L1466-Y1471 HydrophobicContact CB-CD1 3.8Å; L1466-Y1471 HydrophobicContact CB-CE1 3.79Å; L1466-Y1471 HydrophobicContact CB-CG 4.38Å; L1466-Y1471 HydrophobicContact CD1-CD1 4.08Å; L1466-Y1471 HydrophobicContact CD1-CE1 3.96Å; L1466-Y1471 HydrophobicContact CG-CD1 4.49Å; L1466-Y1471 PolarHBondContact O-N 3.45Å; L1466-I1476 HydrophobicContact CD2-CD1 3.41Å; L1466-I1476 VanDerWaalsContact CD2-CD1 3.41Å |
| 1467 | K | 86.3 | Confident | 88.4 | Confident | 95 Ų | 95 | 35.2 Ų | 35.2 | 41% | 0.413 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -61.9 | -38.8 | 178 | -75 | -179.6 | 175.2 | -174.3 | 0 | 112.9 | I1463 M1464 C1465 L1469 D1470 Y1471 | I1463-K1467 HydrophobicContact CG2-CD 4.3Å; I1463-K1467 WeakPolarHBondContact O-CG 3.42Å; I1463-K1467 PolarHBondContact O-N 3.36Å; M1464-K1467 PolarHBondContact O-N 2.58Å; C1465-K1467 VanDerWaalsContact C-N 3.35Å; C1465-K1467 PolarHBondContact O-N 2.99Å; K1467-L1469 PolarHBondContact O-N 3.07Å; K1467-D1470 PolarHBondContact O-N 3.44Å; K1467-Y1471 HydrophobicContact CB-CE2 4.43Å; K1467-Y1471 WeakPolarHBondContact CE-OH 3.45Å; K1467-Y1471 HydrophobicContact CG-CE2 3.65Å; K1467-Y1471 WeakPolarHBondContact CG-OH 3.45Å |
| 1468 | R | 85.5 | Confident | 88.3 | Confident | 98 Ų | 98 | 39 Ų | 39 | 37% | 0.37 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -4.1 | 175.7 | -79.5 | -173.4 | 170.5 | 95.8 | -2.4 | 114.5 | M1464 C1465 L1466 L1526 M1579 | M1464-R1468 WeakPolarHBondContact O-CB 3.43Å; M1464-R1468 WeakPolarHBondContact O-CG 3.39Å; M1464-R1468 PolarHBondContact O-N 3.08Å; C1465-R1468 PolarHBondContact O-N 3.22Å; L1466-R1468 PolarHBondContact O-N 2.79Å; R1468-L1526 VanDerWaalsContact NH1-CD2 3.32Å; R1468-M1579 PolarHBondContact NH2-SD 2.86Å |
| 1469 | L | 83.5 | Confident | 88.1 | Confident | 9 Ų | 9 | 40 Ų | 40 | 5% | 0.047 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | 20.4 | 180 | -63.2 | 171 | 0 | 0 | 0 | 111.4 | C1465 L1466 K1467 Y1471 D1472 I1476 V1492 | C1465-L1469 WeakPolarHBondContact O-CG 3.42Å; C1465-L1469 PolarHBondContact O-N 3.43Å; L1466-L1469 CarbonylContact O-C 3.56Å; L1466-L1469 PolarHBondContact O-N 2.95Å; L1466-L1469 VanDerWaalsContact O-N 3.12Å; K1467-L1469 PolarHBondContact O-N 3.07Å; L1469-Y1471 PolarHBondContact O-N 2.88Å; L1469-D1472 WeakPolarHBondContact O-CB 3.28Å; L1469-D1472 PolarHBondContact O-N 3.37Å; L1469-I1476 HydrophobicContact CB-CG1 4.12Å; L1469-I1476 HydrophobicContact CD1-CD1 4.5Å; L1469-I1476 HydrophobicContact CD1-CG1 3.51Å; L1469-I1476 HydrophobicContact CG-CG1 4.43Å; L1469-V1492 HydrophobicContact CD1-CG1 4.03Å |
| 1470 | D | 77.1 | Confident | 87.9 | Confident | 104 Ų | 104 | 42 Ų | 42 | 56% | 0.556 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 24.9 | -177.7 | -55.2 | -35.2 | 0 | 0 | 0 | 114.1 | L1466 K1467 D1472 | L1466-D1470 PolarHBondContact O-N 3.5Å; K1467-D1470 PolarHBondContact O-N 3.44Å; D1470-D1472 PolarHBondContact O-N 3.21Å |
| 1471 | Y | 85.7 | Confident | 87.6 | Confident | 29 Ų | 29 | 48.1 Ų | 48.1 | 11% | 0.114 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 30.6 | -168.6 | -65.8 | -99.8 | 0 | 0 | 0 | 113.3 | P1398 L1399 L1404 A1433 L1466 K1467 L1469 R1473 | P1398-Y1471 WeakPolarHBondContact CB-O 3.28Å; L1399-Y1471 HydrophobicContact CD1-CG 4.2Å; L1399-Y1471 HydrophobicContact CD2-CD1 4.38Å; L1399-Y1471 HydrophobicContact CD2-CG 4.33Å; L1404-Y1471 HydrophobicContact CD1-CD1 4.12Å; L1404-Y1471 HydrophobicContact CD1-CG 4.4Å; L1404-Y1471 WeakPolarHBondContact CD1-O 3.23Å; A1433-Y1471 HydrophobicContact CB-CD1 4.08Å; A1433-Y1471 HydrophobicContact CB-CE1 4.28Å; L1466-Y1471 HydrophobicContact CB-CD1 3.8Å; L1466-Y1471 HydrophobicContact CB-CE1 3.79Å; L1466-Y1471 HydrophobicContact CB-CG 4.38Å; L1466-Y1471 HydrophobicContact CD1-CD1 4.08Å; L1466-Y1471 HydrophobicContact CD1-CE1 3.96Å; L1466-Y1471 HydrophobicContact CG-CD1 4.49Å; L1466-Y1471 PolarHBondContact O-N 3.45Å; K1467-Y1471 HydrophobicContact CB-CE2 4.43Å; K1467-Y1471 WeakPolarHBondContact CE-OH 3.45Å; K1467-Y1471 HydrophobicContact CG-CE2 3.65Å; K1467-Y1471 WeakPolarHBondContact CG-OH 3.45Å; L1469-Y1471 PolarHBondContact O-N 2.88Å; Y1471-R1473 PolarHBondContact O-N 3.04Å |
| 1472 | D | 80.2 | Confident | 87.1 | Confident | 26 Ų | 26 | 50.5 Ų | 50.5 | 14% | 0.139 | 24% | 0.244 | C | C | . | . | trans | -80.6 | 96.6 | 175.4 | -166.2 | -38.9 | 0 | 0 | 0 | 110.4 | P1398 L1469 D1470 S1474 E1475 I1476 R1647 | P1398-D1472 HydrophobicContact CG-CB 4.5Å; L1469-D1472 WeakPolarHBondContact O-CB 3.28Å; L1469-D1472 PolarHBondContact O-N 3.37Å; D1470-D1472 PolarHBondContact O-N 3.21Å; D1472-S1474 PolarHBondContact O-N 3.45Å; D1472-S1474 WeakPolarHBondContact OD1-CB 3.33Å; D1472-S1474 PolarHBondContact OD1-N 2.78Å; D1472-S1474 VanDerWaalsContact OD1-N 3.11Å; D1472-E1475 HydrophobicContact CB-CB 3.88Å; D1472-E1475 PolarHBondContact O-N 2.92Å; D1472-E1475 VanDerWaalsContact O-N 3.16Å; D1472-E1475 PolarHBondContact OD1-N 3.22Å; D1472-I1476 WeakPolarHBondContact O-CD1 3.37Å; D1472-I1476 WeakPolarHBondContact O-CG1 3.36Å; D1472-I1476 PolarHBondContact O-N 3.47Å; D1472-R1647 IonicContact OD2-CZ 2.67Å; D1472-R1647 IonicContact OD2-NH1 3.71Å; D1472-R1647 PolarHBondContact OD2-NH1 2.96Å; D1472-R1647 IonicContact OD2-NH2 3.86Å | ||
| 1473 | R | 86 | Confident | 86.7 | Confident | 59 Ų | 59 | 50.6 Ų | 50.6 | 22% | 0.223 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -51.6 | -43.4 | 177.2 | -178.9 | 177.2 | 162.8 | 177.2 | -3.8 | 112.3 | E1403 L1404 W1408 Y1471 E1475 I1476 E1477 | E1403-R1473 VanDerWaalsContact O-CD 3.23Å; E1403-R1473 WeakPolarHBondContact O-CD 3.42Å; E1403-R1473 PolarHBondContact O-NH1 3.08Å; L1404-R1473 HydrophobicContact CD2-CB 3.76Å; L1404-R1473 HydrophobicContact CD2-CG 4.18Å; L1404-R1473 HydrophobicContact CG-CB 4.28Å; W1408-R1473 HydrophobicContact CZ2-CG 4.05Å; W1408-R1473 VanDerWaalsContact NE1-NE 3.18Å; Y1471-R1473 PolarHBondContact O-N 3.04Å; R1473-E1475 VanDerWaalsContact C-N 3.34Å; R1473-I1476 PolarHBondContact O-N 2.99Å; R1473-E1477 IonicContact CZ-OE1 2.63Å; R1473-E1477 IonicContact NE-OE1 3.51Å; R1473-E1477 PolarHBondContact NE-OE1 2.69Å; R1473-E1477 IonicContact NE-OE2 2.74Å; R1473-E1477 IonicContact NH2-OE1 3.75Å; R1473-E1477 PolarHBondContact NH2-OE1 2.69Å; R1473-E1477 VanDerWaalsContact NH2-OE1 3.16Å; R1473-E1477 IonicContact NH2-OE2 3.51Å; R1473-E1477 WeakPolarHBondContact O-CG 3.5Å; R1473-E1477 PolarHBondContact O-N 2.96Å |
| 1474 | S | 82.3 | Confident | 86.2 | Confident | 74 Ų | 74 | 55 Ų | 55 | 52% | 0.517 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -68.2 | -37.2 | -177 | -67.4 | 0 | 0 | 0 | 0 | 111 | D1472 R1478 | D1472-S1474 PolarHBondContact O-N 3.45Å; D1472-S1474 WeakPolarHBondContact OD1-CB 3.33Å; D1472-S1474 PolarHBondContact OD1-N 2.78Å; D1472-S1474 VanDerWaalsContact OD1-N 3.11Å; S1474-R1478 WeakPolarHBondContact O-CB 3.48Å; S1474-R1478 PolarHBondContact O-N 2.86Å |
| 1475 | E | 85.1 | Confident | 85.8 | Confident | 48 Ų | 48 | 60.6 Ų | 60.6 | 22% | 0.224 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70.1 | -38.3 | 175.2 | -175.1 | 61 | -169.8 | 0 | 0 | 112.4 | D1472 R1473 R1478 R1479 | D1472-E1475 HydrophobicContact CB-CB 3.88Å; D1472-E1475 PolarHBondContact O-N 2.92Å; D1472-E1475 VanDerWaalsContact O-N 3.16Å; D1472-E1475 PolarHBondContact OD1-N 3.22Å; R1473-E1475 VanDerWaalsContact C-N 3.34Å; E1475-R1478 VanDerWaalsContact CD-NH2 3.34Å; E1475-R1478 PolarHBondContact O-N 3.02Å; E1475-R1478 IonicContact OE1-CZ 2.75Å; E1475-R1478 IonicContact OE1-NE 3.8Å; E1475-R1478 IonicContact OE1-NH2 3.67Å; E1475-R1478 PolarHBondContact OE1-NH2 3.03Å; E1475-R1478 IonicContact OE2-CZ 4Å; E1475-R1478 IonicContact OE2-NE 3.54Å; E1475-R1478 PolarHBondContact OE2-NE 3.32Å; E1475-R1478 IonicContact OE2-NH2 3.85Å; E1475-R1478 PolarHBondContact OE2-NH2 3.24Å; E1475-R1479 HydrophobicContact CG-CG 4.4Å; E1475-R1479 WeakPolarHBondContact O-CB 3.22Å; E1475-R1479 VanDerWaalsContact O-CG 3.26Å; E1475-R1479 WeakPolarHBondContact O-CG 3.49Å; E1475-R1479 PolarHBondContact O-N 3.41Å; E1475-R1479 WeakPolarHBondContact OE1-CD 3.43Å |
| 1476 | I | 86.9 | Confident | 85.2 | Confident | 6 Ų | 6 | 61.6 Ų | 61.6 | 3% | 0.031 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.1 | -50.5 | 173 | -66.9 | 154.8 | 0 | 0 | 0 | 110.8 | W1408 L1466 L1469 D1472 R1473 R1479 R1480 | W1408-I1476 HydrophobicContact CH2-CD1 4.32Å; L1466-I1476 HydrophobicContact CD2-CD1 3.41Å; L1466-I1476 VanDerWaalsContact CD2-CD1 3.41Å; L1469-I1476 HydrophobicContact CB-CG1 4.12Å; L1469-I1476 HydrophobicContact CD1-CD1 4.5Å; L1469-I1476 HydrophobicContact CD1-CG1 3.51Å; L1469-I1476 HydrophobicContact CG-CG1 4.43Å; D1472-I1476 WeakPolarHBondContact O-CD1 3.37Å; D1472-I1476 WeakPolarHBondContact O-CG1 3.36Å; D1472-I1476 PolarHBondContact O-N 3.47Å; R1473-I1476 PolarHBondContact O-N 2.99Å; I1476-R1479 PolarHBondContact O-N 3.46Å; I1476-R1480 WeakPolarHBondContact O-CB 3.49Å; I1476-R1480 WeakPolarHBondContact O-CG 3.36Å; I1476-R1480 PolarHBondContact O-N 2.84Å |
| 1477 | E | 87.7 | Confident | 84.7 | Confident | 63 Ų | 63 | 65 Ų | 65 | 29% | 0.294 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64 | -44.5 | 179.9 | -70.9 | 173.7 | -177.6 | 0 | 0 | 110.4 | W1408 R1473 R1479 R1480 E1481 | W1408-E1477 PolarHBondContact NE1-OE1 2.75Å; R1473-E1477 IonicContact CZ-OE1 2.63Å; R1473-E1477 IonicContact NE-OE1 3.51Å; R1473-E1477 PolarHBondContact NE-OE1 2.69Å; R1473-E1477 IonicContact NE-OE2 2.74Å; R1473-E1477 IonicContact NH2-OE1 3.75Å; R1473-E1477 PolarHBondContact NH2-OE1 2.69Å; R1473-E1477 VanDerWaalsContact NH2-OE1 3.16Å; R1473-E1477 IonicContact NH2-OE2 3.51Å; R1473-E1477 WeakPolarHBondContact O-CG 3.5Å; R1473-E1477 PolarHBondContact O-N 2.96Å; E1477-R1479 PolarHBondContact O-N 3.43Å; E1477-R1480 PolarHBondContact O-N 2.85Å; E1477-E1481 WeakPolarHBondContact O-CG 3.3Å; E1477-E1481 PolarHBondContact O-N 2.88Å |
| 1478 | R | 90 | Very high | 84.5 | Confident | 114 Ų | 114 | 65.4 Ų | 65.4 | 43% | 0.43 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.9 | -42 | 176.4 | -170.5 | -163.3 | 71.9 | 71.5 | -2.3 | 113.7 | S1474 E1475 A1482 | S1474-R1478 WeakPolarHBondContact O-CB 3.48Å; S1474-R1478 PolarHBondContact O-N 2.86Å; E1475-R1478 VanDerWaalsContact CD-NH2 3.34Å; E1475-R1478 PolarHBondContact O-N 3.02Å; E1475-R1478 IonicContact OE1-CZ 2.75Å; E1475-R1478 IonicContact OE1-NE 3.8Å; E1475-R1478 IonicContact OE1-NH2 3.67Å; E1475-R1478 PolarHBondContact OE1-NH2 3.03Å; E1475-R1478 IonicContact OE2-CZ 4Å; E1475-R1478 IonicContact OE2-NE 3.54Å; E1475-R1478 PolarHBondContact OE2-NE 3.32Å; E1475-R1478 IonicContact OE2-NH2 3.85Å; E1475-R1478 PolarHBondContact OE2-NH2 3.24Å; R1478-A1482 PolarHBondContact O-N 2.93Å; R1478-A1482 VanDerWaalsContact O-N 3.13Å |
| 1479 | R | 90 | Very high | 84.6 | Confident | 22 Ų | 22 | 62.5 Ų | 62.5 | 8% | 0.083 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -68.7 | -38.5 | 178.2 | -72.8 | 175.7 | 71.6 | 153.7 | -3.8 | 111 | E1475 I1476 E1477 A1482 C1483 D1489 V1492 | E1475-R1479 HydrophobicContact CG-CG 4.4Å; E1475-R1479 WeakPolarHBondContact O-CB 3.22Å; E1475-R1479 VanDerWaalsContact O-CG 3.26Å; E1475-R1479 WeakPolarHBondContact O-CG 3.49Å; E1475-R1479 PolarHBondContact O-N 3.41Å; E1475-R1479 WeakPolarHBondContact OE1-CD 3.43Å; I1476-R1479 PolarHBondContact O-N 3.46Å; E1477-R1479 PolarHBondContact O-N 3.43Å; R1479-A1482 PolarHBondContact O-N 3Å; R1479-C1483 PolarHBondContact O-N 3.12Å; R1479-D1489 IonicContact CZ-OD1 2.71Å; R1479-D1489 IonicContact CZ-OD2 3.5Å; R1479-D1489 IonicContact NE-OD1 3.79Å; R1479-D1489 IonicContact NE-OD2 3.26Å; R1479-D1489 PolarHBondContact NE-OD2 3.17Å; R1479-D1489 VanDerWaalsContact NH2-CG 3.31Å; R1479-D1489 IonicContact NH2-OD1 2.64Å; R1479-D1489 PolarHBondContact NH2-OD1 3.37Å; R1479-D1489 IonicContact NH2-OD2 3.85Å; R1479-D1489 PolarHBondContact NH2-OD2 3.28Å; R1479-D1489 VanDerWaalsContact NH2-OD2 3.15Å; R1479-V1492 HydrophobicContact CB-CB 4.31Å; R1479-V1492 HydrophobicContact CB-CG1 3.94Å; R1479-V1492 HydrophobicContact CB-CG2 3.87Å |
| 1480 | R | 92.5 | Very high | 84.9 | Confident | 44 Ų | 44 | 62.2 Ų | 62.2 | 17% | 0.166 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 173.8 | -76.9 | 173 | 167.6 | -169.6 | -9.3 | 113.1 | S1416 I1476 E1477 A1482 C1483 Q1484 V1492 | S1416-R1480 VanDerWaalsContact CB-NH1 3.31Å; S1416-R1480 PolarHBondContact OG-NH1 2.87Å; S1416-R1480 PolarHBondContact OG-NH2 2.91Å; I1476-R1480 WeakPolarHBondContact O-CB 3.49Å; I1476-R1480 WeakPolarHBondContact O-CG 3.36Å; I1476-R1480 PolarHBondContact O-N 2.84Å; E1477-R1480 PolarHBondContact O-N 2.85Å; R1480-A1482 VanDerWaalsContact C-N 3.33Å; R1480-A1482 PolarHBondContact O-N 3.5Å; R1480-C1483 PolarHBondContact O-N 3.11Å; R1480-C1483 PolarHBondContact O-SG 3.37Å; R1480-Q1484 PolarHBondContact O-N 3.16Å; R1480-V1492 HydrophobicContact CG-CB 4.17Å; R1480-V1492 HydrophobicContact CG-CG2 4.12Å; R1480-V1492 WeakPolarHBondContact CG-O 3.2Å; R1480-V1492 PolarHBondContact NE-O 3.17Å |
| 1481 | E | 88 | Confident | 85.6 | Confident | 145 Ų | 145 | 57.8 Ų | 57.8 | 68% | 0.678 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -61.6 | -40.9 | 172.8 | -72.4 | -178.1 | 164.1 | 0 | 0 | 111.9 | E1477 Q1484 | E1477-E1481 WeakPolarHBondContact O-CG 3.3Å; E1477-E1481 PolarHBondContact O-N 2.88Å; E1481-Q1484 WeakPolarHBondContact O-CB 3.3Å; E1481-Q1484 PolarHBondContact O-N 3.03Å |
| 1482 | A | 84.2 | Confident | 85.9 | Confident | 62 Ų | 62 | 56.5 Ų | 56.5 | 51% | 0.512 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68.7 | -35.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | R1478 R1479 R1480 Q1484 S1486 | R1478-A1482 PolarHBondContact O-N 2.93Å; R1478-A1482 VanDerWaalsContact O-N 3.13Å; R1479-A1482 PolarHBondContact O-N 3Å; R1480-A1482 VanDerWaalsContact C-N 3.33Å; R1480-A1482 PolarHBondContact O-N 3.5Å; A1482-Q1484 VanDerWaalsContact C-N 3.32Å; A1482-S1486 PolarHBondContact O-OG 3.48Å |
| 1483 | C | 86 | Confident | 86.6 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.014 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -82.1 | -5.5 | 177 | 78.5 | 0 | 0 | 0 | 0 | 113.8 | R1479 R1480 N1485 S1486 N1488 D1489 R1497 | R1479-C1483 PolarHBondContact O-N 3.12Å; R1480-C1483 PolarHBondContact O-N 3.11Å; R1480-C1483 PolarHBondContact O-SG 3.37Å; C1483-N1485 VanDerWaalsContact C-N 3.33Å; C1483-N1485 PolarHBondContact O-N 3.41Å; C1483-S1486 PolarHBondContact O-N 2.98Å; C1483-N1488 VanDerWaalsContact CB-O 3.3Å; C1483-N1488 WeakPolarHBondContact CB-O 3.39Å; C1483-D1489 HydrophobicContact CB-CB 4.37Å; C1483-R1497 PolarHBondContact O-NE 2.97Å; C1483-R1497 PolarHBondContact O-NH2 2.86Å |
| 1484 | Q | 83.1 | Confident | 87.1 | Confident | 95 Ų | 95 | 53.2 Ų | 53.2 | 44% | 0.444 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -40.2 | -173 | -172.3 | 60.7 | 22.7 | 0 | 0 | 113.2 | R1480 E1481 A1482 R1497 | R1480-Q1484 PolarHBondContact O-N 3.16Å; E1481-Q1484 WeakPolarHBondContact O-CB 3.3Å; E1481-Q1484 PolarHBondContact O-N 3.03Å; A1482-Q1484 VanDerWaalsContact C-N 3.32Å; Q1484-R1497 PolarHBondContact O-NE 2.92Å |
| 1485 | N | 79.9 | Confident | 87.7 | Confident | 161 Ų | 161 | 50 Ų | 50 | 86% | 0.861 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.4 | 10.3 | -177.7 | -62.7 | -15 | 0 | 0 | 0 | 113.3 | C1483 | C1483-N1485 VanDerWaalsContact C-N 3.33Å; C1483-N1485 PolarHBondContact O-N 3.41Å |
| 1486 | S | 79.5 | Confident | 88.2 | Confident | 34 Ų | 34 | 52.7 Ų | 52.7 | 24% | 0.238 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -129.2 | 156.2 | -178.2 | 64.7 | 0 | 0 | 0 | 0 | 111.4 | A1482 C1483 N1488 R1497 | A1482-S1486 PolarHBondContact O-OG 3.48Å; C1483-S1486 PolarHBondContact O-N 2.98Å; S1486-N1488 PolarHBondContact O-N 2.99Å; S1486-R1497 PolarHBondContact O-NH2 3.31Å |
| 1487 | L | 80.3 | Confident | 88.5 | Confident | 75 Ų | 75 | 53.2 Ų | 53.2 | 39% | 0.393 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -89.7 | 37 | 175.4 | -60.6 | -176.5 | 0 | 0 | 0 | 111.8 | W1493 L1559 | L1487-W1493 HydrophobicContact CD2-CH2 3.98Å; L1487-W1493 HydrophobicContact CD2-CZ2 4.35Å; L1487-L1559 HydrophobicContact CB-CD2 4.03Å; L1487-L1559 HydrophobicContact CD2-CD2 4.36Å |
| 1488 | N | 82.2 | Confident | 88.9 | Confident | 103 Ų | 103 | 50.2 Ų | 50.2 | 55% | 0.551 | 26% | 0.258 | S | S | * | . | trans | -112.1 | 162.8 | -176.5 | -63.3 | -29.9 | 0 | 0 | 0 | 110.8 | C1483 S1486 L1490 W1493 | C1483-N1488 VanDerWaalsContact CB-O 3.3Å; C1483-N1488 WeakPolarHBondContact CB-O 3.39Å; S1486-N1488 PolarHBondContact O-N 2.99Å; N1488-L1490 PolarHBondContact O-N 2.85Å; N1488-W1493 PolarHBondContact O-NE1 3.29Å | ||
| 1489 | D | 86.6 | Confident | 89.1 | Confident | 37 Ų | 37 | 45.4 Ų | 45.4 | 20% | 0.198 | 24% | 0.241 | C | C | . | . | trans | 54 | 50.1 | 170.1 | -158.7 | 9.5 | 0 | 0 | 0 | 114.6 | R1479 C1483 L1491 V1492 Y1563 | R1479-D1489 IonicContact CZ-OD1 2.71Å; R1479-D1489 IonicContact CZ-OD2 3.5Å; R1479-D1489 IonicContact NE-OD1 3.79Å; R1479-D1489 IonicContact NE-OD2 3.26Å; R1479-D1489 PolarHBondContact NE-OD2 3.17Å; R1479-D1489 VanDerWaalsContact NH2-CG 3.31Å; R1479-D1489 IonicContact NH2-OD1 2.64Å; R1479-D1489 PolarHBondContact NH2-OD1 3.37Å; R1479-D1489 IonicContact NH2-OD2 3.85Å; R1479-D1489 PolarHBondContact NH2-OD2 3.28Å; R1479-D1489 VanDerWaalsContact NH2-OD2 3.15Å; C1483-D1489 HydrophobicContact CB-CB 4.37Å; D1489-L1491 PolarHBondContact O-N 3.45Å; D1489-L1491 VanDerWaalsContact O-N 3.13Å; D1489-V1492 HydrophobicContact CB-CG2 4.38Å; D1489-V1492 WeakPolarHBondContact O-CG2 3.37Å; D1489-V1492 PolarHBondContact O-N 2.82Å; D1489-Y1563 VanDerWaalsContact CA-OH 3.29Å; D1489-Y1563 WeakPolarHBondContact CA-OH 3.08Å; D1489-Y1563 PolarHBondContact N-OH 3.33Å | ||
| 1490 | L | 90.6 | Very high | 89.3 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -55 | -33.6 | -176.8 | -177.3 | 60.5 | 0 | 0 | 0 | 112.9 | N1488 V1492 W1493 G1521 M1524 V1525 L1559 L1560 Y1563 | N1488-L1490 PolarHBondContact O-N 2.85Å; L1490-V1492 PolarHBondContact O-N 3.29Å; L1490-W1493 HydrophobicContact CD1-CB 4.32Å; L1490-W1493 HydrophobicContact CD1-CD2 3.46Å; L1490-W1493 VanDerWaalsContact CD1-CD2 3.46Å; L1490-W1493 HydrophobicContact CD1-CE3 3.46Å; L1490-W1493 VanDerWaalsContact CD1-CE3 3.46Å; L1490-W1493 HydrophobicContact CD1-CG 3.88Å; L1490-W1493 HydrophobicContact CD1-CH2 4.26Å; L1490-W1493 HydrophobicContact CD1-CZ2 4.27Å; L1490-W1493 HydrophobicContact CD1-CZ3 3.87Å; L1490-W1493 WeakPolarHBondContact O-CB 3.3Å; L1490-W1493 PolarHBondContact O-N 3Å; L1490-G1521 CarbonylContact O-C 3.16Å; L1490-G1521 WeakPolarHBondContact O-CA 3.01Å; L1490-M1524 HydrophobicContact CD1-CE 4.41Å; L1490-M1524 HydrophobicContact CD1-SD 4.36Å; L1490-M1524 HydrophobicContact CD2-CB 4.46Å; L1490-V1525 HydrophobicContact CB-CG2 3.79Å; L1490-V1525 HydrophobicContact CD2-CG2 3.54Å; L1490-V1525 HydrophobicContact CG-CG2 3.56Å; L1490-L1559 HydrophobicContact CD2-CB 4.19Å; L1490-L1560 HydrophobicContact CD2-CD2 3.66Å; L1490-Y1563 HydrophobicContact CB-CD2 4.49Å; L1490-Y1563 HydrophobicContact CB-CE2 3.71Å; L1490-Y1563 PolarHBondContact N-OH 2.78Å |
| 1491 | L | 90.8 | Very high | 89.4 | Confident | 11 Ų | 11 | 44.4 Ų | 44.4 | 6% | 0.058 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -50.5 | -32.8 | 179.6 | 177.8 | 62.6 | 0 | 0 | 0 | 113.8 | C1465 D1489 A1522 V1525 L1526 | C1465-L1491 PolarHBondContact SG-O 3.43Å; D1489-L1491 PolarHBondContact O-N 3.45Å; D1489-L1491 VanDerWaalsContact O-N 3.13Å; L1491-A1522 HydrophobicContact CD1-CB 4.07Å; L1491-A1522 WeakPolarHBondContact O-CB 3.31Å; L1491-A1522 PolarHBondContact O-N 3.44Å; L1491-V1525 HydrophobicContact CD1-CG1 4.41Å; L1491-L1526 HydrophobicContact CD1-CD1 3.87Å; L1491-L1526 HydrophobicContact CD1-CD2 4.04Å; L1491-L1526 HydrophobicContact CD1-CG 3.89Å |
| 1492 | V | 91.9 | Very high | 89.7 | Confident | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.012 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -95.6 | -8.2 | -177.5 | -55 | 0 | 0 | 0 | 0 | 114.4 | L1469 R1479 R1480 D1489 L1490 S1494 | L1469-V1492 HydrophobicContact CD1-CG1 4.03Å; R1479-V1492 HydrophobicContact CB-CB 4.31Å; R1479-V1492 HydrophobicContact CB-CG1 3.94Å; R1479-V1492 HydrophobicContact CB-CG2 3.87Å; R1480-V1492 HydrophobicContact CG-CB 4.17Å; R1480-V1492 HydrophobicContact CG-CG2 4.12Å; R1480-V1492 WeakPolarHBondContact CG-O 3.2Å; R1480-V1492 PolarHBondContact NE-O 3.17Å; D1489-V1492 HydrophobicContact CB-CG2 4.38Å; D1489-V1492 WeakPolarHBondContact O-CG2 3.37Å; D1489-V1492 PolarHBondContact O-N 2.82Å; L1490-V1492 PolarHBondContact O-N 3.29Å; V1492-S1494 PolarHBondContact O-N 3.32Å |
| 1493 | W | 95.9 | Very high | 90.1 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | trans | -59 | 131.4 | -172.7 | -73.3 | 24 | 0 | 0 | 0 | 111.9 | L1487 N1488 L1490 R1497 V1498 W1501 G1521 L1559 | L1487-W1493 HydrophobicContact CD2-CH2 3.98Å; L1487-W1493 HydrophobicContact CD2-CZ2 4.35Å; N1488-W1493 PolarHBondContact O-NE1 3.29Å; L1490-W1493 HydrophobicContact CD1-CB 4.32Å; L1490-W1493 HydrophobicContact CD1-CD2 3.46Å; L1490-W1493 VanDerWaalsContact CD1-CD2 3.46Å; L1490-W1493 HydrophobicContact CD1-CE3 3.46Å; L1490-W1493 VanDerWaalsContact CD1-CE3 3.46Å; L1490-W1493 HydrophobicContact CD1-CG 3.88Å; L1490-W1493 HydrophobicContact CD1-CH2 4.26Å; L1490-W1493 HydrophobicContact CD1-CZ2 4.27Å; L1490-W1493 HydrophobicContact CD1-CZ3 3.87Å; L1490-W1493 WeakPolarHBondContact O-CB 3.3Å; L1490-W1493 PolarHBondContact O-N 3Å; W1493-R1497 HydrophobicContact CB-CB 4.12Å; W1493-R1497 HydrophobicContact CB-CG 3.92Å; W1493-R1497 HydrophobicContact CD2-CG 3.53Å; W1493-R1497 HydrophobicContact CE3-CG 3.82Å; W1493-R1497 HydrophobicContact CG-CB 4.32Å; W1493-R1497 HydrophobicContact CG-CG 3.57Å; W1493-V1498 HydrophobicContact CB-CG2 4.4Å; W1493-V1498 HydrophobicContact CE3-CG2 4.12Å; W1493-W1501 HydrophobicContact CH2-CB 4.15Å; W1493-W1501 HydrophobicContact CH2-CG 4.14Å; W1493-W1501 HydrophobicContact CZ3-CB 3.64Å; W1493-W1501 HydrophobicContact CZ3-CD2 4.26Å; W1493-W1501 AromaticContact CZ3-CG 3.83Å; W1493-W1501 HydrophobicContact CZ3-CG 3.83Å; W1493-G1521 PolarHBondContact O-N 2.89Å; W1493-L1559 HydrophobicContact CH2-CD1 3.74Å; W1493-L1559 HydrophobicContact CH2-CD2 4.16Å; W1493-L1559 HydrophobicContact CZ3-CD1 3.91Å | ||
| 1494 | S | 94.7 | Very high | 90.4 | Very high | 16 Ų | 16 | 43.4 Ų | 43.4 | 11% | 0.112 | 24% | 0.239 | C | C | . | . | trans | -73.7 | 162.8 | 169.2 | 60.5 | 0 | 0 | 0 | 0 | 111.8 | S1416 V1492 D1496 R1497 V1498 | S1416-S1494 CarbonylContact O-C 3.6Å; S1416-S1494 VanDerWaalsContact O-CA 3.23Å; S1416-S1494 WeakPolarHBondContact O-CA 3.39Å; V1492-S1494 PolarHBondContact O-N 3.32Å; S1494-D1496 VanDerWaalsContact C-N 3.25Å; S1494-D1496 PolarHBondContact O-N 3.09Å; S1494-R1497 WeakPolarHBondContact O-CA 3.23Å; S1494-R1497 WeakPolarHBondContact O-CB 3.41Å; S1494-R1497 PolarHBondContact O-N 3.37Å; S1494-R1497 PolarHBondContact OG-N 3.44Å; S1494-V1498 PolarHBondContact O-N 2.59Å | ||
| 1495 | N | 96.2 | Very high | 90.7 | Very high | 7 Ų | 7 | 39.7 Ų | 39.7 | 4% | 0.037 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -48.6 | -46.5 | 166.5 | -179 | -103.6 | 0 | 0 | 0 | 111.6 | S1416 R1497 V1498 I1499 L1514 V1519 | S1416-N1495 PolarHBondContact O-N 2.81Å; N1495-R1497 VanDerWaalsContact C-N 3.3Å; N1495-R1497 PolarHBondContact O-N 3.37Å; N1495-V1498 PolarHBondContact O-N 3.18Å; N1495-V1498 VanDerWaalsContact O-N 3.17Å; N1495-I1499 VanDerWaalsContact O-CG1 3.3Å; N1495-I1499 WeakPolarHBondContact O-CG1 3.27Å; N1495-I1499 PolarHBondContact O-N 2.8Å; N1495-I1499 WeakPolarHBondContact OD1-CD1 3.48Å; N1495-L1514 PolarHBondContact ND2-O 3.47Å; N1495-V1519 PolarHBondContact ND2-O 3.45Å |
| 1496 | D | 95.1 | Very high | 91.1 | Very high | 104 Ų | 104 | 33.5 Ų | 33.5 | 56% | 0.556 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -58 | -38.1 | 174.7 | -53.8 | -75.9 | 0 | 0 | 0 | 113.5 | S1494 I1499 A1500 | S1494-D1496 VanDerWaalsContact C-N 3.25Å; S1494-D1496 PolarHBondContact O-N 3.09Å; D1496-I1499 PolarHBondContact O-N 3.36Å; D1496-A1500 WeakPolarHBondContact O-CB 3.45Å; D1496-A1500 PolarHBondContact O-N 3.42Å |
| 1497 | R | 94.3 | Very high | 91.6 | Very high | 17 Ų | 17 | 31.9 Ų | 31.9 | 6% | 0.064 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -71.3 | -35.2 | 179.1 | 179.4 | 63.8 | -170.1 | 92.3 | -3.8 | 111.9 | C1483 Q1484 S1486 W1493 S1494 N1495 W1501 | C1483-R1497 PolarHBondContact O-NE 2.97Å; C1483-R1497 PolarHBondContact O-NH2 2.86Å; Q1484-R1497 PolarHBondContact O-NE 2.92Å; S1486-R1497 PolarHBondContact O-NH2 3.31Å; W1493-R1497 HydrophobicContact CB-CB 4.12Å; W1493-R1497 HydrophobicContact CB-CG 3.92Å; W1493-R1497 HydrophobicContact CD2-CG 3.53Å; W1493-R1497 HydrophobicContact CE3-CG 3.82Å; W1493-R1497 HydrophobicContact CG-CB 4.32Å; W1493-R1497 HydrophobicContact CG-CG 3.57Å; S1494-R1497 WeakPolarHBondContact O-CA 3.23Å; S1494-R1497 WeakPolarHBondContact O-CB 3.41Å; S1494-R1497 PolarHBondContact O-N 3.37Å; S1494-R1497 PolarHBondContact OG-N 3.44Å; N1495-R1497 VanDerWaalsContact C-N 3.3Å; N1495-R1497 PolarHBondContact O-N 3.37Å; R1497-W1501 PolarHBondContact O-N 3.12Å |
| 1498 | V | 95.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.9 | -45.8 | 170.9 | 179.3 | 0 | 0 | 0 | 0 | 110.2 | W1493 S1494 N1495 A1500 W1501 L1502 L1514 M1524 F1535 | W1493-V1498 HydrophobicContact CB-CG2 4.4Å; W1493-V1498 HydrophobicContact CE3-CG2 4.12Å; S1494-V1498 PolarHBondContact O-N 2.59Å; N1495-V1498 PolarHBondContact O-N 3.18Å; N1495-V1498 VanDerWaalsContact O-N 3.17Å; V1498-A1500 VanDerWaalsContact C-N 3.31Å; V1498-A1500 PolarHBondContact O-N 2.78Å; V1498-W1501 HydrophobicContact CG1-CE3 4.33Å; V1498-W1501 PolarHBondContact O-N 3.25Å; V1498-W1501 VanDerWaalsContact O-N 3.13Å; V1498-L1502 HydrophobicContact CG1-CD1 4.44Å; V1498-L1502 WeakPolarHBondContact O-CG 3.4Å; V1498-L1502 PolarHBondContact O-N 3.39Å; V1498-L1514 HydrophobicContact CB-CD1 4.47Å; V1498-L1514 HydrophobicContact CG1-CD1 3.68Å; V1498-M1524 HydrophobicContact CG1-SD 4.19Å; V1498-M1524 HydrophobicContact CG2-SD 3.79Å; V1498-F1535 HydrophobicContact CG1-CZ 3.83Å |
| 1499 | I | 94.8 | Very high | 92.4 | Very high | 13 Ų | 13 | 33 Ų | 33 | 7% | 0.067 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.4 | -42.2 | 174.6 | -68.9 | 173.7 | 0 | 0 | 0 | 111.1 | N1495 D1496 L1502 K1503 A1511 L1514 I1515 | N1495-I1499 VanDerWaalsContact O-CG1 3.3Å; N1495-I1499 WeakPolarHBondContact O-CG1 3.27Å; N1495-I1499 PolarHBondContact O-N 2.8Å; N1495-I1499 WeakPolarHBondContact OD1-CD1 3.48Å; D1496-I1499 PolarHBondContact O-N 3.36Å; I1499-L1502 PolarHBondContact O-N 2.82Å; I1499-K1503 HydrophobicContact CG2-CD 4.27Å; I1499-K1503 VanDerWaalsContact O-CG 3.28Å; I1499-K1503 WeakPolarHBondContact O-CG 3.46Å; I1499-K1503 PolarHBondContact O-N 3.13Å; I1499-K1503 VanDerWaalsContact O-N 3.08Å; I1499-A1511 WeakPolarHBondContact CG1-O 3.47Å; I1499-A1511 HydrophobicContact CG2-CB 4.21Å; I1499-L1514 HydrophobicContact CD1-CB 4.08Å; I1499-L1514 HydrophobicContact CG1-CB 3.89Å; I1499-L1514 HydrophobicContact CG1-CD1 4.26Å; I1499-I1515 HydrophobicContact CD1-CG1 3.94Å |
| 1500 | A | 94.1 | Very high | 92.6 | Very high | 43 Ų | 43 | 32.6 Ų | 32.6 | 36% | 0.355 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -65.7 | -37.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D1496 V1498 S1504 | D1496-A1500 WeakPolarHBondContact O-CB 3.45Å; D1496-A1500 PolarHBondContact O-N 3.42Å; V1498-A1500 VanDerWaalsContact C-N 3.31Å; V1498-A1500 PolarHBondContact O-N 2.78Å; A1500-S1504 PolarHBondContact O-N 2.94Å |
| 1501 | W | 94 | Very high | 92.7 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.2 | -44.8 | 173.8 | 164.6 | 74 | 0 | 0 | 0 | 112.3 | W1493 R1497 V1498 K1503 S1504 I1505 M1524 F1535 L1552 E1555 L1556 L1559 | W1493-W1501 HydrophobicContact CH2-CB 4.15Å; W1493-W1501 HydrophobicContact CH2-CG 4.14Å; W1493-W1501 HydrophobicContact CZ3-CB 3.64Å; W1493-W1501 HydrophobicContact CZ3-CD2 4.26Å; W1493-W1501 AromaticContact CZ3-CG 3.83Å; W1493-W1501 HydrophobicContact CZ3-CG 3.83Å; R1497-W1501 PolarHBondContact O-N 3.12Å; V1498-W1501 HydrophobicContact CG1-CE3 4.33Å; V1498-W1501 PolarHBondContact O-N 3.25Å; V1498-W1501 VanDerWaalsContact O-N 3.13Å; W1501-K1503 VanDerWaalsContact C-N 3.25Å; W1501-K1503 PolarHBondContact O-N 3.44Å; W1501-S1504 WeakPolarHBondContact CA-OG 3.39Å; W1501-S1504 CarbonylContact O-C 3.6Å; W1501-S1504 WeakPolarHBondContact O-CA 3.42Å; W1501-S1504 WeakPolarHBondContact O-CB 3.45Å; W1501-S1504 PolarHBondContact O-N 3.24Å; W1501-S1504 PolarHBondContact O-OG 3.42Å; W1501-I1505 HydrophobicContact CH2-CD1 4.09Å; W1501-I1505 HydrophobicContact CZ2-CD1 3.9Å; W1501-I1505 PolarHBondContact O-N 2.85Å; W1501-M1524 HydrophobicContact CZ3-CE 4.47Å; W1501-F1535 HydrophobicContact CH2-CE1 4.28Å; W1501-F1535 AromaticContact CZ3-CE1 3.8Å; W1501-F1535 HydrophobicContact CZ3-CE1 3.8Å; W1501-F1535 HydrophobicContact CZ3-CZ 4.2Å; W1501-L1552 HydrophobicContact CH2-CD1 4.19Å; W1501-L1552 HydrophobicContact CZ3-CD1 4.41Å; W1501-E1555 HydrophobicContact CZ2-CB 3.81Å; W1501-L1556 HydrophobicContact CH2-CB 4.43Å; W1501-L1559 HydrophobicContact CD2-CD1 3.87Å; W1501-L1559 HydrophobicContact CE3-CD1 4.46Å; W1501-L1559 HydrophobicContact CG-CD1 4.32Å; W1501-L1559 HydrophobicContact CH2-CD1 4.19Å; W1501-L1559 HydrophobicContact CZ2-CD1 3.54Å; W1501-L1559 HydrophobicContact CZ2-CG 4.24Å |
| 1502 | L | 94.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.2 | -41.9 | 175.5 | -74.9 | 175.1 | 0 | 0 | 0 | 111.8 | V1498 I1499 I1505 G1506 L1507 A1511 L1514 F1535 L1539 L1552 | V1498-L1502 HydrophobicContact CG1-CD1 4.44Å; V1498-L1502 WeakPolarHBondContact O-CG 3.4Å; V1498-L1502 PolarHBondContact O-N 3.39Å; I1499-L1502 PolarHBondContact O-N 2.82Å; L1502-I1505 HydrophobicContact CD2-CD1 4.28Å; L1502-I1505 VanDerWaalsContact O-CG1 3.3Å; L1502-I1505 WeakPolarHBondContact O-CG1 3.41Å; L1502-I1505 PolarHBondContact O-N 2.88Å; L1502-G1506 PolarHBondContact O-N 3.47Å; L1502-L1507 HydrophobicContact CB-CB 4.44Å; L1502-L1507 HydrophobicContact CD2-CB 4.49Å; L1502-L1507 HydrophobicContact CD2-CD1 3.89Å; L1502-L1507 PolarHBondContact O-N 3.44Å; L1502-A1511 HydrophobicContact CB-CB 3.75Å; L1502-A1511 HydrophobicContact CD1-CB 4.21Å; L1502-L1514 HydrophobicContact CD1-CD1 3.49Å; L1502-L1514 VanDerWaalsContact CD1-CD1 3.49Å; L1502-L1514 HydrophobicContact CD1-CG 4.06Å; L1502-F1535 HydrophobicContact CD1-CZ 4.25Å; L1502-F1535 HydrophobicContact CD2-CZ 4.3Å; L1502-L1539 HydrophobicContact CD1-CD1 4.16Å; L1502-L1539 HydrophobicContact CD1-CD2 3.61Å; L1502-L1539 HydrophobicContact CD1-CG 4.49Å; L1502-L1539 HydrophobicContact CD2-CD1 4.13Å; L1502-L1552 HydrophobicContact CD2-CD1 3.62Å |
| 1503 | K | 93.4 | Very high | 92.7 | Very high | 99 Ų | 99 | 39.8 Ų | 39.8 | 43% | 0.43 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.3 | -42.7 | 172 | -70.9 | 172.9 | 178.7 | 177.9 | 0 | 112.2 | I1499 W1501 I1505 G1506 N1508 A1511 | I1499-K1503 HydrophobicContact CG2-CD 4.27Å; I1499-K1503 VanDerWaalsContact O-CG 3.28Å; I1499-K1503 WeakPolarHBondContact O-CG 3.46Å; I1499-K1503 PolarHBondContact O-N 3.13Å; I1499-K1503 VanDerWaalsContact O-N 3.08Å; W1501-K1503 VanDerWaalsContact C-N 3.25Å; W1501-K1503 PolarHBondContact O-N 3.44Å; K1503-I1505 VanDerWaalsContact C-N 3.34Å; K1503-I1505 PolarHBondContact O-N 2.91Å; K1503-G1506 PolarHBondContact O-N 3.39Å; K1503-N1508 WeakPolarHBondContact CA-OD1 3.33Å; K1503-N1508 WeakPolarHBondContact CB-OD1 3.45Å; K1503-N1508 VanDerWaalsContact CG-OD1 3.31Å; K1503-N1508 WeakPolarHBondContact CG-OD1 3.05Å; K1503-N1508 PolarHBondContact O-OD1 3.06Å; K1503-A1511 HydrophobicContact CG-CB 3.94Å |
| 1504 | S | 90.4 | Very high | 92.6 | Very high | 89 Ų | 89 | 39.7 Ų | 39.7 | 62% | 0.622 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -66.1 | -29.4 | 178.2 | 74.7 | 0 | 0 | 0 | 0 | 114.4 | A1500 W1501 G1506 | A1500-S1504 PolarHBondContact O-N 2.94Å; W1501-S1504 WeakPolarHBondContact CA-OG 3.39Å; W1501-S1504 CarbonylContact O-C 3.6Å; W1501-S1504 WeakPolarHBondContact O-CA 3.42Å; W1501-S1504 WeakPolarHBondContact O-CB 3.45Å; W1501-S1504 PolarHBondContact O-N 3.24Å; W1501-S1504 PolarHBondContact O-OG 3.42Å; S1504-G1506 VanDerWaalsContact C-N 3.3Å |
| 1505 | I | 90.1 | Very high | 92.5 | Very high | 18 Ų | 18 | 44.1 Ų | 44.1 | 9% | 0.092 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 0.1 | 172.6 | 68.2 | 169.7 | 0 | 0 | 0 | 112.9 | W1501 L1502 K1503 L1507 K1551 E1555 | W1501-I1505 HydrophobicContact CH2-CD1 4.09Å; W1501-I1505 HydrophobicContact CZ2-CD1 3.9Å; W1501-I1505 PolarHBondContact O-N 2.85Å; L1502-I1505 HydrophobicContact CD2-CD1 4.28Å; L1502-I1505 VanDerWaalsContact O-CG1 3.3Å; L1502-I1505 WeakPolarHBondContact O-CG1 3.41Å; L1502-I1505 PolarHBondContact O-N 2.88Å; K1503-I1505 VanDerWaalsContact C-N 3.34Å; K1503-I1505 PolarHBondContact O-N 2.91Å; I1505-L1507 HydrophobicContact CD1-CD1 3.89Å; I1505-L1507 HydrophobicContact CD1-CG 4.43Å; I1505-L1507 HydrophobicContact CG1-CD1 4.3Å; I1505-L1507 HydrophobicContact CG1-CG 4.33Å; I1505-K1551 WeakPolarHBondContact O-CE 3.44Å; I1505-K1551 PolarHBondContact O-NZ 3.08Å; I1505-E1555 HydrophobicContact CB-CG 4.33Å; I1505-E1555 HydrophobicContact CD1-CB 3.9Å; I1505-E1555 HydrophobicContact CD1-CG 4.31Å; I1505-E1555 HydrophobicContact CG2-CB 4.25Å; I1505-E1555 HydrophobicContact CG2-CG 3.86Å; I1505-E1555 WeakPolarHBondContact CG2-OE2 3.29Å |
| 1506 | G | 88.4 | Confident | 92.3 | Very high | 30 Ų | 30 | 46.3 Ų | 46.3 | 31% | 0.309 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 99.3 | -3.4 | 173 | 0 | 0 | 0 | 0 | 0 | 116 | L1502 K1503 S1504 N1508 | L1502-G1506 PolarHBondContact O-N 3.47Å; K1503-G1506 PolarHBondContact O-N 3.39Å; S1504-G1506 VanDerWaalsContact C-N 3.3Å; G1506-N1508 PolarHBondContact O-N 2.99Å |
| 1507 | L | 90.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -78 | 44.2 | 178.7 | -62.6 | 174.9 | 0 | 0 | 0 | 112.3 | L1502 I1505 E1509 Y1510 A1511 M1548 L1552 | L1502-L1507 HydrophobicContact CB-CB 4.44Å; L1502-L1507 HydrophobicContact CD2-CB 4.49Å; L1502-L1507 HydrophobicContact CD2-CD1 3.89Å; L1502-L1507 PolarHBondContact O-N 3.44Å; I1505-L1507 HydrophobicContact CD1-CD1 3.89Å; I1505-L1507 HydrophobicContact CD1-CG 4.43Å; I1505-L1507 HydrophobicContact CG1-CD1 4.3Å; I1505-L1507 HydrophobicContact CG1-CG 4.33Å; L1507-E1509 VanDerWaalsContact C-N 3.34Å; L1507-E1509 PolarHBondContact O-N 2.92Å; L1507-Y1510 HydrophobicContact CD2-CD2 4.1Å; L1507-Y1510 PolarHBondContact O-N 2.86Å; L1507-A1511 WeakPolarHBondContact O-CB 3.2Å; L1507-A1511 PolarHBondContact O-N 3.48Å; L1507-M1548 HydrophobicContact CD2-CB 3.74Å; L1507-M1548 HydrophobicContact CD2-CE 4.28Å; L1507-M1548 HydrophobicContact CD2-CG 4Å; L1507-M1548 HydrophobicContact CD2-SD 3.43Å; L1507-M1548 WeakPolarHBondContact CD2-SD 3.36Å; L1507-L1552 HydrophobicContact CD1-CB 3.95Å; L1507-L1552 HydrophobicContact CD1-CD1 3.81Å; L1507-L1552 HydrophobicContact CD1-CG 4.42Å | ||
| 1508 | N | 89.7 | Confident | 92.3 | Very high | 95 Ų | 95 | 41.1 Ų | 41.1 | 51% | 0.508 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -39.7 | -170.7 | -76.8 | -59.7 | 0 | 0 | 0 | 113.5 | K1503 G1506 | K1503-N1508 WeakPolarHBondContact CA-OD1 3.33Å; K1503-N1508 WeakPolarHBondContact CB-OD1 3.45Å; K1503-N1508 VanDerWaalsContact CG-OD1 3.31Å; K1503-N1508 WeakPolarHBondContact CG-OD1 3.05Å; K1503-N1508 PolarHBondContact O-OD1 3.06Å; G1506-N1508 PolarHBondContact O-N 2.99Å |
| 1509 | E | 88.6 | Confident | 92.3 | Very high | 106 Ų | 106 | 41.1 Ų | 41.1 | 50% | 0.495 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -33.4 | -175.7 | 67.7 | -151.6 | 126.2 | 0 | 0 | 113.5 | L1507 K1512 | L1507-E1509 VanDerWaalsContact C-N 3.34Å; L1507-E1509 PolarHBondContact O-N 2.92Å; E1509-K1512 VanDerWaalsContact O-CD 3.32Å; E1509-K1512 WeakPolarHBondContact O-CD 3.43Å; E1509-K1512 VanDerWaalsContact O-CE 3.24Å; E1509-K1512 WeakPolarHBondContact O-CE 3.28Å; E1509-K1512 WeakPolarHBondContact O-CG 3.3Å; E1509-K1512 PolarHBondContact O-NZ 3.16Å |
| 1510 | Y | 91.3 | Very high | 92.3 | Very high | 30 Ų | 30 | 40.6 Ų | 40.6 | 12% | 0.118 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -30.8 | 178.7 | -59.8 | -67.9 | 0 | 0 | 0 | 112.3 | L1507 K1512 N1513 I1541 P1542 D1545 M1548 | L1507-Y1510 HydrophobicContact CD2-CD2 4.1Å; L1507-Y1510 PolarHBondContact O-N 2.86Å; Y1510-K1512 PolarHBondContact O-N 3.33Å; Y1510-N1513 VanDerWaalsContact O-CB 3.24Å; Y1510-N1513 WeakPolarHBondContact O-CB 3.11Å; Y1510-N1513 PolarHBondContact O-N 3.27Å; Y1510-I1541 HydrophobicContact CD1-CG1 3.84Å; Y1510-I1541 HydrophobicContact CD2-CD1 4.42Å; Y1510-I1541 HydrophobicContact CD2-CG1 3.98Å; Y1510-I1541 HydrophobicContact CE1-CB 4.33Å; Y1510-I1541 HydrophobicContact CE1-CG1 4.08Å; Y1510-I1541 HydrophobicContact CE1-CG2 4.48Å; Y1510-I1541 HydrophobicContact CE2-CG1 4.19Å; Y1510-I1541 HydrophobicContact CE2-CG2 4.34Å; Y1510-I1541 HydrophobicContact CG-CG1 3.79Å; Y1510-P1542 WeakPolarHBondContact OH-CD 3.43Å; Y1510-D1545 PolarHBondContact OH-OD2 3.43Å; Y1510-M1548 HydrophobicContact CE2-CB 4.37Å; Y1510-M1548 HydrophobicContact CE2-CG 4.21Å |
| 1511 | A | 92.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -56.1 | -26.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | I1499 L1502 K1503 L1507 N1513 L1514 | I1499-A1511 WeakPolarHBondContact CG1-O 3.47Å; I1499-A1511 HydrophobicContact CG2-CB 4.21Å; L1502-A1511 HydrophobicContact CB-CB 3.75Å; L1502-A1511 HydrophobicContact CD1-CB 4.21Å; K1503-A1511 HydrophobicContact CG-CB 3.94Å; L1507-A1511 WeakPolarHBondContact O-CB 3.2Å; L1507-A1511 PolarHBondContact O-N 3.48Å; A1511-N1513 PolarHBondContact O-N 2.88Å; A1511-L1514 PolarHBondContact O-N 3.26Å |
| 1512 | K | 91.2 | Very high | 92.4 | Very high | 125 Ų | 125 | 38.6 Ų | 38.6 | 54% | 0.543 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -64.6 | -25.1 | 174.5 | 75.4 | -163.9 | -177.6 | -128.8 | 0 | 113.3 | E1509 Y1510 L1514 I1515 | E1509-K1512 VanDerWaalsContact O-CD 3.32Å; E1509-K1512 WeakPolarHBondContact O-CD 3.43Å; E1509-K1512 VanDerWaalsContact O-CE 3.24Å; E1509-K1512 WeakPolarHBondContact O-CE 3.28Å; E1509-K1512 WeakPolarHBondContact O-CG 3.3Å; E1509-K1512 PolarHBondContact O-NZ 3.16Å; Y1510-K1512 PolarHBondContact O-N 3.33Å; K1512-L1514 PolarHBondContact O-N 3.08Å; K1512-I1515 WeakPolarHBondContact O-CG1 3.17Å; K1512-I1515 PolarHBondContact O-N 3.42Å |
| 1513 | N | 92.4 | Very high | 92.4 | Very high | 41 Ų | 41 | 38.6 Ų | 38.6 | 22% | 0.219 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -74.4 | -10.2 | -175.5 | -59.3 | -13.2 | 0 | 0 | 0 | 112.5 | Y1510 A1511 I1515 L1539 | Y1510-N1513 VanDerWaalsContact O-CB 3.24Å; Y1510-N1513 WeakPolarHBondContact O-CB 3.11Å; Y1510-N1513 PolarHBondContact O-N 3.27Å; A1511-N1513 PolarHBondContact O-N 2.88Å; N1513-I1515 VanDerWaalsContact C-N 3.33Å; N1513-L1539 PolarHBondContact ND2-O 3Å |
| 1514 | L | 93.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -79.7 | -11.2 | 172.7 | -64 | -165 | 0 | 0 | 0 | 114.5 | N1495 V1498 I1499 L1502 A1511 K1512 D1516 S1517 V1519 F1535 I1538 L1539 | N1495-L1514 PolarHBondContact ND2-O 3.47Å; V1498-L1514 HydrophobicContact CB-CD1 4.47Å; V1498-L1514 HydrophobicContact CG1-CD1 3.68Å; I1499-L1514 HydrophobicContact CD1-CB 4.08Å; I1499-L1514 HydrophobicContact CG1-CB 3.89Å; I1499-L1514 HydrophobicContact CG1-CD1 4.26Å; L1502-L1514 HydrophobicContact CD1-CD1 3.49Å; L1502-L1514 VanDerWaalsContact CD1-CD1 3.49Å; L1502-L1514 HydrophobicContact CD1-CG 4.06Å; A1511-L1514 PolarHBondContact O-N 3.26Å; K1512-L1514 PolarHBondContact O-N 3.08Å; L1514-D1516 PolarHBondContact O-N 3.18Å; L1514-S1517 WeakPolarHBondContact CA-OG 3.48Å; L1514-S1517 WeakPolarHBondContact O-CB 3.3Å; L1514-S1517 PolarHBondContact O-N 3.48Å; L1514-S1517 PolarHBondContact O-OG 3.49Å; L1514-V1519 HydrophobicContact CD1-CB 4.43Å; L1514-V1519 HydrophobicContact CD1-CG1 4.46Å; L1514-V1519 HydrophobicContact CD2-CB 4.26Å; L1514-V1519 HydrophobicContact CD2-CG2 4.25Å; L1514-F1535 HydrophobicContact CD1-CE2 3.81Å; L1514-F1535 HydrophobicContact CD1-CZ 4.18Å; L1514-F1535 HydrophobicContact CD2-CD2 4.49Å; L1514-F1535 HydrophobicContact CD2-CE2 3.9Å; L1514-F1535 HydrophobicContact CG-CE2 4.45Å; L1514-I1538 HydrophobicContact CD2-CG2 3.95Å; L1514-L1539 HydrophobicContact CD1-CD2 4.32Å; L1514-L1539 HydrophobicContact CD2-CD2 3.55Å; L1514-L1539 HydrophobicContact CD2-CG 3.91Å; L1514-L1539 HydrophobicContact CG-CD2 3.65Å; L1514-L1539 HydrophobicContact CG-CG 4.49Å |
| 1515 | I | 92.2 | Very high | 92.4 | Very high | 109 Ų | 109 | 30.7 Ų | 30.7 | 56% | 0.559 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 127.4 | 174.2 | -60.1 | 171.4 | 0 | 0 | 0 | 107.6 | I1499 K1512 N1513 S1517 | I1499-I1515 HydrophobicContact CD1-CG1 3.94Å; K1512-I1515 WeakPolarHBondContact O-CG1 3.17Å; K1512-I1515 PolarHBondContact O-N 3.42Å; N1513-I1515 VanDerWaalsContact C-N 3.33Å; I1515-S1517 PolarHBondContact O-N 3.37Å |
| 1516 | D | 92.4 | Very high | 92.3 | Very high | 52 Ų | 52 | 30.5 Ų | 30.5 | 28% | 0.278 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 18.6 | -176.1 | -79.1 | -30.9 | 0 | 0 | 0 | 116.7 | G1418 A1420 R1421 H1455 L1514 | G1418-D1516 CarbonylContact O-C 3.54Å; G1418-D1516 WeakPolarHBondContact O-CA 3.45Å; A1420-D1516 WeakPolarHBondContact CA-OD1 3.36Å; A1420-D1516 WeakPolarHBondContact CB-OD1 3.34Å; A1420-D1516 PolarHBondContact N-OD1 2.77Å; R1421-D1516 HydrophobicContact CB-CB 4.38Å; R1421-D1516 PolarHBondContact N-OD1 3.18Å; H1455-D1516 PolarHBondContact NE2-O 3.11Å; L1514-D1516 PolarHBondContact O-N 3.18Å |
| 1517 | S | 92.5 | Very high | 92.3 | Very high | 13 Ų | 13 | 29.3 Ų | 29.3 | 9% | 0.091 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -88 | -16.8 | 176.9 | 69.6 | 0 | 0 | 0 | 0 | 115.9 | G1418 F1454 H1455 L1514 I1515 V1519 | G1418-S1517 PolarHBondContact O-N 3.22Å; F1454-S1517 VanDerWaalsContact CE1-O 3.26Å; F1454-S1517 WeakPolarHBondContact CE1-O 3.32Å; H1455-S1517 PolarHBondContact CD2-O 2.69Å; H1455-S1517 PolarHBondContact NE2-O 3.21Å; L1514-S1517 WeakPolarHBondContact CA-OG 3.48Å; L1514-S1517 WeakPolarHBondContact O-CB 3.3Å; L1514-S1517 PolarHBondContact O-N 3.48Å; L1514-S1517 PolarHBondContact O-OG 3.49Å; I1515-S1517 PolarHBondContact O-N 3.37Å; S1517-V1519 VanDerWaalsContact C-N 3.32Å; S1517-V1519 PolarHBondContact O-N 3.19Å; S1517-V1519 PolarHBondContact OG-N 3.13Å |
| 1518 | G | 95.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | 77.6 | -1.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | L1417 G1418 S1458 H1520 | L1417-G1518 CarbonylContact O-C 3.53Å; L1417-G1518 VanDerWaalsContact O-CA 3.27Å; L1417-G1518 WeakPolarHBondContact O-CA 3.39Å; G1418-G1518 WeakPolarHBondContact O-CA 3.42Å; G1418-G1518 PolarHBondContact O-N 3.41Å; S1458-G1518 WeakPolarHBondContact CB-O 3.48Å; S1458-G1518 WeakPolarHBondContact OG-CA 3.46Å; S1458-G1518 PolarHBondContact OG-O 3.27Å; G1518-H1520 PolarHBondContact O-N 3.36Å; G1518-H1520 PolarHBondContact O-ND1 2.96Å | ||
| 1519 | V | 96.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -77.3 | 126.8 | 179.1 | -176.8 | 0 | 0 | 0 | 0 | 111.6 | F1454 N1495 L1514 S1517 L1523 M1524 F1530 F1535 I1538 | F1454-V1519 HydrophobicContact CE1-CG2 4.16Å; F1454-V1519 HydrophobicContact CZ-CG2 4.17Å; N1495-V1519 PolarHBondContact ND2-O 3.45Å; L1514-V1519 HydrophobicContact CD1-CB 4.43Å; L1514-V1519 HydrophobicContact CD1-CG1 4.46Å; L1514-V1519 HydrophobicContact CD2-CB 4.26Å; L1514-V1519 HydrophobicContact CD2-CG2 4.25Å; S1517-V1519 VanDerWaalsContact C-N 3.32Å; S1517-V1519 PolarHBondContact O-N 3.19Å; S1517-V1519 PolarHBondContact OG-N 3.13Å; V1519-L1523 HydrophobicContact CG2-CD2 4.3Å; V1519-M1524 HydrophobicContact CG1-CG 4.34Å; V1519-M1524 HydrophobicContact CG1-SD 4.44Å; V1519-F1530 HydrophobicContact CG1-CE2 4.47Å; V1519-F1530 HydrophobicContact CG1-CZ 3.94Å; V1519-F1530 HydrophobicContact CG2-CE2 4.24Å; V1519-F1530 HydrophobicContact CG2-CZ 4.35Å; V1519-F1535 HydrophobicContact CG1-CD2 4.28Å; V1519-F1535 HydrophobicContact CG1-CE2 3.73Å; V1519-F1535 HydrophobicContact CG1-CZ 4.24Å; V1519-I1538 HydrophobicContact CG2-CD1 3.93Å; V1519-I1538 HydrophobicContact CG2-CG2 3.82Å | ||
| 1520 | H | 95.8 | Very high | 91.5 | Very high | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.009 | 14% | 0.143 | C | C | . | . | trans | -154.9 | 168 | 178.2 | 63.1 | -78.2 | 0 | 0 | 0 | 109.8 | L1417 S1458 G1518 A1522 L1523 M1524 | L1417-H1520 PolarHBondContact O-ND1 2.67Å; S1458-H1520 PolarHBondContact O-CE1 3.06Å; S1458-H1520 VanDerWaalsContact O-CE1 3.3Å; S1458-H1520 PolarHBondContact OG-CE1 3.06Å; S1458-H1520 PolarHBondContact OG-ND1 2.93Å; G1518-H1520 PolarHBondContact O-N 3.36Å; G1518-H1520 PolarHBondContact O-ND1 2.96Å; H1520-A1522 VanDerWaalsContact C-N 3.34Å; H1520-A1522 PolarHBondContact O-N 3.23Å; H1520-L1523 PolarHBondContact NE2-N 3.08Å; H1520-L1523 WeakPolarHBondContact O-CB 3.12Å; H1520-L1523 PolarHBondContact O-N 2.88Å; H1520-L1523 VanDerWaalsContact O-N 3.14Å; H1520-M1524 WeakPolarHBondContact O-CG 3.4Å; H1520-M1524 PolarHBondContact O-N 3.4Å | ||
| 1521 | G | 94.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.7 | -32.7 | -168.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | L1490 W1493 M1524 V1525 | L1490-G1521 CarbonylContact O-C 3.16Å; L1490-G1521 WeakPolarHBondContact O-CA 3.01Å; W1493-G1521 PolarHBondContact O-N 2.89Å; G1521-M1524 PolarHBondContact O-N 2.9Å; G1521-V1525 WeakPolarHBondContact O-CG2 3.38Å; G1521-V1525 PolarHBondContact O-N 3.48Å; G1521-V1525 VanDerWaalsContact O-N 3.11Å |
| 1522 | A | 94.3 | Very high | 91.2 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.008 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68.8 | -36 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | C1465 L1491 H1520 L1526 | C1465-A1522 HydrophobicContact CB-CB 3.6Å; L1491-A1522 HydrophobicContact CD1-CB 4.07Å; L1491-A1522 WeakPolarHBondContact O-CB 3.31Å; L1491-A1522 PolarHBondContact O-N 3.44Å; H1520-A1522 VanDerWaalsContact C-N 3.34Å; H1520-A1522 PolarHBondContact O-N 3.23Å; A1522-L1526 HydrophobicContact CB-CD1 4.25Å; A1522-L1526 WeakPolarHBondContact O-CB 3.45Å; A1522-L1526 VanDerWaalsContact O-CG 3.22Å; A1522-L1526 WeakPolarHBondContact O-CG 3.41Å; A1522-L1526 PolarHBondContact O-N 2.95Å |
| 1523 | L | 95.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.8 | -55.1 | 169.2 | 178.6 | 73.2 | 0 | 0 | 0 | 109.8 | F1454 Y1461 V1519 H1520 V1525 L1526 D1527 F1530 | F1454-L1523 HydrophobicContact CE1-CD2 4.4Å; F1454-L1523 HydrophobicContact CE2-CD2 4.14Å; F1454-L1523 HydrophobicContact CZ-CD2 3.6Å; Y1461-L1523 HydrophobicContact CD2-CD1 3.62Å; Y1461-L1523 HydrophobicContact CE2-CD1 4.2Å; V1519-L1523 HydrophobicContact CG2-CD2 4.3Å; H1520-L1523 PolarHBondContact NE2-N 3.08Å; H1520-L1523 WeakPolarHBondContact O-CB 3.12Å; H1520-L1523 PolarHBondContact O-N 2.88Å; H1520-L1523 VanDerWaalsContact O-N 3.14Å; L1523-V1525 PolarHBondContact O-N 3.36Å; L1523-V1525 VanDerWaalsContact O-N 3.1Å; L1523-L1526 PolarHBondContact O-N 3.26Å; L1523-D1527 HydrophobicContact CD1-CB 3.84Å; L1523-D1527 WeakPolarHBondContact CD1-OD2 3.43Å; L1523-D1527 HydrophobicContact CG-CB 4.4Å; L1523-D1527 WeakPolarHBondContact O-CB 3.44Å; L1523-D1527 PolarHBondContact O-N 3.23Å; L1523-F1530 HydrophobicContact CD2-CD2 3.78Å; L1523-F1530 HydrophobicContact CD2-CE2 3.71Å; L1523-F1530 HydrophobicContact CD2-CZ 4.49Å; L1523-F1530 HydrophobicContact CG-CD2 3.96Å; L1523-F1530 HydrophobicContact CG-CE2 4.32Å; L1523-F1530 HydrophobicContact CG-CG 4.38Å |
| 1524 | M | 93 | Very high | 91.1 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -55.7 | -34.4 | -176.5 | -58.2 | 165.5 | 71.5 | 0 | 0 | 113.4 | L1490 V1498 W1501 V1519 H1520 G1521 F1530 F1535 L1556 L1560 | L1490-M1524 HydrophobicContact CD1-CE 4.41Å; L1490-M1524 HydrophobicContact CD1-SD 4.36Å; L1490-M1524 HydrophobicContact CD2-CB 4.46Å; V1498-M1524 HydrophobicContact CG1-SD 4.19Å; V1498-M1524 HydrophobicContact CG2-SD 3.79Å; W1501-M1524 HydrophobicContact CZ3-CE 4.47Å; V1519-M1524 HydrophobicContact CG1-CG 4.34Å; V1519-M1524 HydrophobicContact CG1-SD 4.44Å; H1520-M1524 WeakPolarHBondContact O-CG 3.4Å; H1520-M1524 PolarHBondContact O-N 3.4Å; G1521-M1524 PolarHBondContact O-N 2.9Å; M1524-F1530 HydrophobicContact CB-CD1 4.37Å; M1524-F1530 HydrophobicContact CB-CE1 4.35Å; M1524-F1530 HydrophobicContact CG-CD1 4.22Å; M1524-F1530 HydrophobicContact CG-CE1 3.75Å; M1524-F1530 HydrophobicContact CG-CZ 4.32Å; M1524-F1535 HydrophobicContact CE-CE1 3.93Å; M1524-F1535 HydrophobicContact CE-CZ 4.36Å; M1524-L1556 HydrophobicContact CE-CD1 3.42Å; M1524-L1556 VanDerWaalsContact CE-CD1 3.42Å; M1524-L1560 HydrophobicContact CB-CD2 4.29Å; M1524-L1560 WeakPolarHBondContact O-CD2 3.49Å |
| 1525 | V | 89.4 | Confident | 91.2 | Very high | 23 Ų | 23 | 27.7 Ų | 27.7 | 14% | 0.139 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -90.6 | -34.3 | -177.1 | 171.7 | 0 | 0 | 0 | 0 | 113.6 | L1490 L1491 G1521 L1523 L1560 Y1563 | L1490-V1525 HydrophobicContact CB-CG2 3.79Å; L1490-V1525 HydrophobicContact CD2-CG2 3.54Å; L1490-V1525 HydrophobicContact CG-CG2 3.56Å; L1491-V1525 HydrophobicContact CD1-CG1 4.41Å; G1521-V1525 WeakPolarHBondContact O-CG2 3.38Å; G1521-V1525 PolarHBondContact O-N 3.48Å; G1521-V1525 VanDerWaalsContact O-N 3.11Å; L1523-V1525 PolarHBondContact O-N 3.36Å; L1523-V1525 VanDerWaalsContact O-N 3.1Å; V1525-L1560 HydrophobicContact CG2-CD2 4.34Å; V1525-Y1563 HydrophobicContact CG1-CD1 3.64Å; V1525-Y1563 HydrophobicContact CG1-CE1 4.23Å; V1525-Y1563 HydrophobicContact CG1-CG 3.88Å; V1525-Y1563 HydrophobicContact CG2-CD1 4.4Å; V1525-Y1563 HydrophobicContact CG2-CD2 4.12Å; V1525-Y1563 HydrophobicContact CG2-CE2 4.37Å; V1525-Y1563 HydrophobicContact CG2-CG 4.14Å |
| 1526 | L | 88.7 | Confident | 91.2 | Very high | 13 Ų | 13 | 22.6 Ų | 22.6 | 7% | 0.068 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -103.4 | -19.3 | -170.7 | -58.3 | 179.6 | 0 | 0 | 0 | 114.1 | Y1461 M1464 R1468 L1491 A1522 L1523 P1528 M1579 | Y1461-L1526 HydrophobicContact CD1-CB 3.41Å; Y1461-L1526 VanDerWaalsContact CD1-CB 3.41Å; Y1461-L1526 HydrophobicContact CD1-CD1 4.26Å; Y1461-L1526 HydrophobicContact CE1-CB 3.82Å; Y1461-L1526 WeakPolarHBondContact CE1-O 3.24Å; Y1461-L1526 HydrophobicContact CG-CB 4.21Å; M1464-L1526 HydrophobicContact CB-CD1 3.8Å; R1468-L1526 VanDerWaalsContact NH1-CD2 3.32Å; L1491-L1526 HydrophobicContact CD1-CD1 3.87Å; L1491-L1526 HydrophobicContact CD1-CD2 4.04Å; L1491-L1526 HydrophobicContact CD1-CG 3.89Å; A1522-L1526 HydrophobicContact CB-CD1 4.25Å; A1522-L1526 WeakPolarHBondContact O-CB 3.45Å; A1522-L1526 VanDerWaalsContact O-CG 3.22Å; A1522-L1526 WeakPolarHBondContact O-CG 3.41Å; A1522-L1526 PolarHBondContact O-N 2.95Å; L1523-L1526 PolarHBondContact O-N 3.26Å; L1526-P1528 WeakPolarHBondContact O-CD 3.31Å; L1526-M1579 HydrophobicContact CD2-CE 4.12Å |
| 1527 | D | 89.2 | Confident | 91.2 | Very high | 5 Ų | 5 | 25.4 Ų | 25.4 | 3% | 0.027 | 15% | 0.145 | C | C | . | . | trans | -91.2 | 105.6 | 173.4 | -167.4 | -18.4 | 0 | 0 | 0 | 109.1 | L1457 Y1461 L1523 D1529 F1530 R1564 | L1457-D1527 WeakPolarHBondContact CD2-OD2 3.46Å; Y1461-D1527 HydrophobicContact CD2-CB 3.93Å; Y1461-D1527 HydrophobicContact CE1-CB 4.46Å; Y1461-D1527 HydrophobicContact CE2-CB 3.4Å; Y1461-D1527 VanDerWaalsContact CE2-CB 3.4Å; Y1461-D1527 WeakPolarHBondContact CE2-OD2 3.48Å; L1523-D1527 HydrophobicContact CD1-CB 3.84Å; L1523-D1527 WeakPolarHBondContact CD1-OD2 3.43Å; L1523-D1527 HydrophobicContact CG-CB 4.4Å; L1523-D1527 WeakPolarHBondContact O-CB 3.44Å; L1523-D1527 PolarHBondContact O-N 3.23Å; D1527-D1529 VanDerWaalsContact C-N 3.29Å; D1527-D1529 PolarHBondContact OD1-N 3.17Å; D1527-F1530 HydrophobicContact CB-CB 3.78Å; D1527-F1530 WeakPolarHBondContact O-CB 3.44Å; D1527-F1530 PolarHBondContact O-N 3.02Å; D1527-F1530 PolarHBondContact OD1-N 3.42Å; D1527-R1564 PolarHBondContact O-NH2 3.4Å | ||
| 1528 | P | 80 | Confident | 91.2 | Very high | 55 Ų | 55 | 26.6 Ų | 26.6 | 36% | 0.357 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -79.7 | -17.1 | -175.7 | -3.2 | 23.6 | 0 | 0 | 0 | 111.6 | L1526 F1530 R1564 Y1581 | L1526-P1528 WeakPolarHBondContact O-CD 3.31Å; P1528-F1530 VanDerWaalsContact C-N 3.32Å; P1528-R1564 PolarHBondContact O-NH1 3.06Å; P1528-Y1581 HydrophobicContact CB-CE2 4.07Å; P1528-Y1581 VanDerWaalsContact CB-OH 3.25Å; P1528-Y1581 WeakPolarHBondContact CB-OH 3.36Å; P1528-Y1581 HydrophobicContact CG-CE2 3.62Å |
| 1529 | D | 81.8 | Confident | 91.1 | Very high | 106 Ų | 106 | 26.6 Ų | 26.6 | 57% | 0.567 | 15% | 0.15 | S | C | * | . | S | Bend | trans | -75 | -21.5 | 170.4 | -62.5 | -15.6 | 0 | 0 | 0 | 111.9 | D1527 D1531 Y1581 | D1527-D1529 VanDerWaalsContact C-N 3.29Å; D1527-D1529 PolarHBondContact OD1-N 3.17Å; D1529-D1531 PolarHBondContact O-N 2.94Å; D1529-Y1581 PolarHBondContact N-OH 2.98Å; D1529-Y1581 WeakPolarHBondContact OD1-CE1 3.46Å; D1529-Y1581 PolarHBondContact OD1-OH 2.98Å |
| 1530 | F | 90.1 | Very high | 90.9 | Very high | 4 Ų | 4 | 33.1 Ų | 33.1 | 2% | 0.018 | 18% | 0.18 | C | C | . | . | trans | -69.8 | 103.7 | 178.5 | -170.8 | -86.4 | 0 | 0 | 0 | 111.2 | F1454 V1519 L1523 M1524 D1527 P1528 F1535 I1538 R1564 | F1454-F1530 HydrophobicContact CE2-CD2 4.41Å; F1454-F1530 HydrophobicContact CZ-CD2 4.41Å; F1454-F1530 HydrophobicContact CZ-CE2 4.11Å; V1519-F1530 HydrophobicContact CG1-CE2 4.47Å; V1519-F1530 HydrophobicContact CG1-CZ 3.94Å; V1519-F1530 HydrophobicContact CG2-CE2 4.24Å; V1519-F1530 HydrophobicContact CG2-CZ 4.35Å; L1523-F1530 HydrophobicContact CD2-CD2 3.78Å; L1523-F1530 HydrophobicContact CD2-CE2 3.71Å; L1523-F1530 HydrophobicContact CD2-CZ 4.49Å; L1523-F1530 HydrophobicContact CG-CD2 3.96Å; L1523-F1530 HydrophobicContact CG-CE2 4.32Å; L1523-F1530 HydrophobicContact CG-CG 4.38Å; M1524-F1530 HydrophobicContact CB-CD1 4.37Å; M1524-F1530 HydrophobicContact CB-CE1 4.35Å; M1524-F1530 HydrophobicContact CG-CD1 4.22Å; M1524-F1530 HydrophobicContact CG-CE1 3.75Å; M1524-F1530 HydrophobicContact CG-CZ 4.32Å; D1527-F1530 HydrophobicContact CB-CB 3.78Å; D1527-F1530 WeakPolarHBondContact O-CB 3.44Å; D1527-F1530 PolarHBondContact O-N 3.02Å; D1527-F1530 PolarHBondContact OD1-N 3.42Å; P1528-F1530 VanDerWaalsContact C-N 3.32Å; F1530-F1535 HydrophobicContact CE1-CB 3.92Å; F1530-F1535 HydrophobicContact CE1-CD1 4.15Å; F1530-F1535 HydrophobicContact CE1-CD2 4.44Å; F1530-F1535 AromaticContact CE1-CG 3.95Å; F1530-F1535 HydrophobicContact CE1-CG 3.95Å; F1530-F1535 HydrophobicContact CZ-CB 3.72Å; F1530-F1535 HydrophobicContact CZ-CD1 4.3Å; F1530-F1535 AromaticContact CZ-CD2 3.79Å; F1530-F1535 HydrophobicContact CZ-CD2 3.79Å; F1530-F1535 HydrophobicContact CZ-CE2 4.44Å; F1530-F1535 AromaticContact CZ-CG 3.7Å; F1530-F1535 HydrophobicContact CZ-CG 3.7Å; F1530-I1538 HydrophobicContact CE2-CD1 3.9Å; F1530-R1564 PolarHBondContact O-NH2 2.96Å | ||
| 1531 | D | 87.6 | Confident | 90.6 | Very high | 54 Ų | 54 | 33.2 Ų | 33.2 | 29% | 0.289 | 18% | 0.181 | S | C | . | . | trans | -114.6 | 179.7 | -176.7 | 88.1 | -52.5 | 0 | 0 | 0 | 113 | D1529 N1533 S1534 F1535 | D1529-D1531 PolarHBondContact O-N 2.94Å; D1531-N1533 VanDerWaalsContact C-N 3.34Å; D1531-N1533 PolarHBondContact O-N 3.02Å; D1531-N1533 PolarHBondContact OD1-N 3.44Å; D1531-N1533 WeakPolarHBondContact OD2-CB 3.27Å; D1531-N1533 PolarHBondContact OD2-N 3.01Å; D1531-N1533 PolarHBondContact OD2-ND2 2.87Å; D1531-S1534 WeakPolarHBondContact OD1-CB 3.09Å; D1531-S1534 PolarHBondContact OD1-N 2.95Å; D1531-S1534 PolarHBondContact OD1-OG 2.89Å; D1531-F1535 WeakPolarHBondContact O-CB 3.4Å; D1531-F1535 PolarHBondContact O-N 3.35Å | ||
| 1532 | A | 90 | Very high | 90.3 | Very high | 9 Ų | 9 | 36.1 Ų | 36.1 | 7% | 0.074 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.4 | -34.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | F1535 A1536 E1553 L1556 | A1532-F1535 PolarHBondContact O-N 3.27Å; A1532-A1536 WeakPolarHBondContact O-CB 3.35Å; A1532-A1536 PolarHBondContact O-N 3.46Å; A1532-E1553 HydrophobicContact CB-CB 3.72Å; A1532-E1553 HydrophobicContact CB-CG 3.84Å; A1532-L1556 HydrophobicContact CB-CD2 3.98Å |
| 1533 | N | 90.3 | Very high | 89.8 | Confident | 92 Ų | 92 | 41.6 Ų | 41.6 | 49% | 0.492 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -70.4 | -46.2 | 179.9 | -62.5 | -75.5 | 0 | 0 | 0 | 111.3 | D1531 F1535 A1536 L1537 | D1531-N1533 VanDerWaalsContact C-N 3.34Å; D1531-N1533 PolarHBondContact O-N 3.02Å; D1531-N1533 PolarHBondContact OD1-N 3.44Å; D1531-N1533 WeakPolarHBondContact OD2-CB 3.27Å; D1531-N1533 PolarHBondContact OD2-N 3.01Å; D1531-N1533 PolarHBondContact OD2-ND2 2.87Å; N1533-F1535 VanDerWaalsContact C-N 3.28Å; N1533-F1535 PolarHBondContact O-N 2.87Å; N1533-A1536 PolarHBondContact O-N 3.25Å; N1533-L1537 VanDerWaalsContact O-CG 3.31Å; N1533-L1537 WeakPolarHBondContact O-CG 3.4Å; N1533-L1537 PolarHBondContact O-N 3.26Å |
| 1534 | S | 91.1 | Very high | 89.5 | Confident | 44 Ų | 44 | 45.8 Ų | 45.8 | 31% | 0.308 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -56.5 | -44.4 | 173 | -59.7 | 0 | 0 | 0 | 0 | 111 | D1531 L1537 I1538 | D1531-S1534 WeakPolarHBondContact OD1-CB 3.09Å; D1531-S1534 PolarHBondContact OD1-N 2.95Å; D1531-S1534 PolarHBondContact OD1-OG 2.89Å; S1534-L1537 PolarHBondContact O-N 3.17Å; S1534-I1538 WeakPolarHBondContact O-CD1 3.25Å; S1534-I1538 VanDerWaalsContact O-CG1 3.27Å; S1534-I1538 WeakPolarHBondContact O-CG1 3.45Å; S1534-I1538 PolarHBondContact O-N 3.38Å |
| 1535 | F | 95.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.7 | -41 | 178.4 | -164.6 | -168.1 | 0 | 0 | 0 | 112.8 | V1498 W1501 L1502 L1514 V1519 M1524 F1530 D1531 A1532 N1533 L1537 I1538 L1539 L1552 L1556 | V1498-F1535 HydrophobicContact CG1-CZ 3.83Å; W1501-F1535 HydrophobicContact CH2-CE1 4.28Å; W1501-F1535 AromaticContact CZ3-CE1 3.8Å; W1501-F1535 HydrophobicContact CZ3-CE1 3.8Å; W1501-F1535 HydrophobicContact CZ3-CZ 4.2Å; L1502-F1535 HydrophobicContact CD1-CZ 4.25Å; L1502-F1535 HydrophobicContact CD2-CZ 4.3Å; L1514-F1535 HydrophobicContact CD1-CE2 3.81Å; L1514-F1535 HydrophobicContact CD1-CZ 4.18Å; L1514-F1535 HydrophobicContact CD2-CD2 4.49Å; L1514-F1535 HydrophobicContact CD2-CE2 3.9Å; L1514-F1535 HydrophobicContact CG-CE2 4.45Å; V1519-F1535 HydrophobicContact CG1-CD2 4.28Å; V1519-F1535 HydrophobicContact CG1-CE2 3.73Å; V1519-F1535 HydrophobicContact CG1-CZ 4.24Å; M1524-F1535 HydrophobicContact CE-CE1 3.93Å; M1524-F1535 HydrophobicContact CE-CZ 4.36Å; F1530-F1535 HydrophobicContact CE1-CB 3.92Å; F1530-F1535 HydrophobicContact CE1-CD1 4.15Å; F1530-F1535 HydrophobicContact CE1-CD2 4.44Å; F1530-F1535 AromaticContact CE1-CG 3.95Å; F1530-F1535 HydrophobicContact CE1-CG 3.95Å; F1530-F1535 HydrophobicContact CZ-CB 3.72Å; F1530-F1535 HydrophobicContact CZ-CD1 4.3Å; F1530-F1535 AromaticContact CZ-CD2 3.79Å; F1530-F1535 HydrophobicContact CZ-CD2 3.79Å; F1530-F1535 HydrophobicContact CZ-CE2 4.44Å; F1530-F1535 AromaticContact CZ-CG 3.7Å; F1530-F1535 HydrophobicContact CZ-CG 3.7Å; D1531-F1535 WeakPolarHBondContact O-CB 3.4Å; D1531-F1535 PolarHBondContact O-N 3.35Å; A1532-F1535 PolarHBondContact O-N 3.27Å; N1533-F1535 VanDerWaalsContact C-N 3.28Å; N1533-F1535 PolarHBondContact O-N 2.87Å; F1535-L1537 VanDerWaalsContact C-N 3.35Å; F1535-L1537 PolarHBondContact O-N 3.34Å; F1535-I1538 PolarHBondContact O-N 3.17Å; F1535-L1539 HydrophobicContact CD2-CD1 3.92Å; F1535-L1539 HydrophobicContact CD2-CG 4.17Å; F1535-L1539 HydrophobicContact CE2-CD1 3.92Å; F1535-L1539 HydrophobicContact CE2-CG 4.17Å; F1535-L1539 HydrophobicContact CG-CD1 4.33Å; F1535-L1539 HydrophobicContact CZ-CD1 4.34Å; F1535-L1539 WeakPolarHBondContact O-CB 3.43Å; F1535-L1539 WeakPolarHBondContact O-CG 3.45Å; F1535-L1539 PolarHBondContact O-N 3Å; F1535-L1552 HydrophobicContact CB-CD2 4.3Å; F1535-L1552 HydrophobicContact CD1-CD1 3.88Å; F1535-L1552 HydrophobicContact CD1-CD2 4.15Å; F1535-L1552 HydrophobicContact CD1-CG 4.26Å; F1535-L1552 HydrophobicContact CE1-CD1 3.88Å; F1535-L1552 HydrophobicContact CG-CD2 4.24Å; F1535-L1556 HydrophobicContact CD1-CD1 4Å; F1535-L1556 HydrophobicContact CD1-CD2 4.05Å; F1535-L1556 HydrophobicContact CE1-CD1 4.08Å |
| 1536 | A | 92.9 | Very high | 89.3 | Confident | 2 Ų | 2 | 49.2 Ų | 49.2 | 2% | 0.017 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.3 | -36.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A1532 N1533 L1539 Q1540 I1541 R1549 L1552 | A1532-A1536 WeakPolarHBondContact O-CB 3.35Å; A1532-A1536 PolarHBondContact O-N 3.46Å; N1533-A1536 PolarHBondContact O-N 3.25Å; A1536-L1539 PolarHBondContact O-N 3.39Å; A1536-Q1540 PolarHBondContact O-N 3.44Å; A1536-Q1540 VanDerWaalsContact O-N 3.15Å; A1536-I1541 HydrophobicContact CB-CD1 4.42Å; A1536-I1541 PolarHBondContact O-N 3.04Å; A1536-R1549 HydrophobicContact CB-CG 4.12Å; A1536-L1552 HydrophobicContact CB-CD2 3.96Å |
| 1537 | L | 91.6 | Very high | 89.3 | Confident | 110 Ų | 110 | 56.4 Ų | 56.4 | 58% | 0.576 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -64.8 | -44.6 | 173.5 | -71.8 | 168.7 | 0 | 0 | 0 | 111.6 | N1533 S1534 F1535 L1539 Q1540 | N1533-L1537 VanDerWaalsContact O-CG 3.31Å; N1533-L1537 WeakPolarHBondContact O-CG 3.4Å; N1533-L1537 PolarHBondContact O-N 3.26Å; S1534-L1537 PolarHBondContact O-N 3.17Å; F1535-L1537 VanDerWaalsContact C-N 3.35Å; F1535-L1537 PolarHBondContact O-N 3.34Å; L1537-L1539 VanDerWaalsContact C-N 3.32Å; L1537-L1539 PolarHBondContact O-N 3.47Å; L1537-Q1540 PolarHBondContact O-N 2.94Å |
| 1538 | I | 92.1 | Very high | 89.2 | Confident | 39 Ų | 39 | 58.2 Ų | 58.2 | 20% | 0.2 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.8 | -37.6 | 176.8 | -63.5 | 157.7 | 0 | 0 | 0 | 111.3 | F1454 L1514 V1519 F1530 S1534 F1535 Q1540 | F1454-I1538 HydrophobicContact CE1-CD1 3.69Å; F1454-I1538 HydrophobicContact CE1-CG1 4.41Å; F1454-I1538 HydrophobicContact CE2-CD1 4.03Å; F1454-I1538 HydrophobicContact CZ-CD1 3.32Å; F1454-I1538 HydrophobicContact CZ-CG1 4.43Å; L1514-I1538 HydrophobicContact CD2-CG2 3.95Å; V1519-I1538 HydrophobicContact CG2-CD1 3.93Å; V1519-I1538 HydrophobicContact CG2-CG2 3.82Å; F1530-I1538 HydrophobicContact CE2-CD1 3.9Å; S1534-I1538 WeakPolarHBondContact O-CD1 3.25Å; S1534-I1538 VanDerWaalsContact O-CG1 3.27Å; S1534-I1538 WeakPolarHBondContact O-CG1 3.45Å; S1534-I1538 PolarHBondContact O-N 3.38Å; F1535-I1538 PolarHBondContact O-N 3.17Å; I1538-Q1540 PolarHBondContact O-N 3.12Å |
| 1539 | L | 93.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -9.9 | 173.1 | -76.6 | 165.9 | 0 | 0 | 0 | 113.9 | L1502 N1513 L1514 F1535 A1536 L1537 I1541 L1552 | L1502-L1539 HydrophobicContact CD1-CD1 4.16Å; L1502-L1539 HydrophobicContact CD1-CD2 3.61Å; L1502-L1539 HydrophobicContact CD1-CG 4.49Å; L1502-L1539 HydrophobicContact CD2-CD1 4.13Å; N1513-L1539 PolarHBondContact ND2-O 3Å; L1514-L1539 HydrophobicContact CD1-CD2 4.32Å; L1514-L1539 HydrophobicContact CD2-CD2 3.55Å; L1514-L1539 HydrophobicContact CD2-CG 3.91Å; L1514-L1539 HydrophobicContact CG-CD2 3.65Å; L1514-L1539 HydrophobicContact CG-CG 4.49Å; F1535-L1539 HydrophobicContact CD2-CD1 3.92Å; F1535-L1539 HydrophobicContact CD2-CG 4.17Å; F1535-L1539 HydrophobicContact CE2-CD1 3.92Å; F1535-L1539 HydrophobicContact CE2-CG 4.17Å; F1535-L1539 HydrophobicContact CG-CD1 4.33Å; F1535-L1539 HydrophobicContact CZ-CD1 4.34Å; F1535-L1539 WeakPolarHBondContact O-CB 3.43Å; F1535-L1539 WeakPolarHBondContact O-CG 3.45Å; F1535-L1539 PolarHBondContact O-N 3Å; A1536-L1539 PolarHBondContact O-N 3.39Å; L1537-L1539 VanDerWaalsContact C-N 3.32Å; L1537-L1539 PolarHBondContact O-N 3.47Å; L1539-I1541 HydrophobicContact CB-CD1 4.08Å; L1539-I1541 HydrophobicContact CB-CG1 3.83Å; L1539-I1541 HydrophobicContact CD1-CD1 4.15Å; L1539-I1541 PolarHBondContact O-N 3.26Å; L1539-L1552 HydrophobicContact CD1-CD1 4.02Å; L1539-L1552 HydrophobicContact CD1-CD2 3.66Å |
| 1540 | Q | 92 | Very high | 90.1 | Very high | 137 Ų | 137 | 57.4 Ų | 57.4 | 64% | 0.64 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 34.6 | -175.6 | -57.5 | 167.2 | 49 | 0 | 0 | 112.6 | A1536 L1537 I1538 | A1536-Q1540 PolarHBondContact O-N 3.44Å; A1536-Q1540 VanDerWaalsContact O-N 3.15Å; L1537-Q1540 PolarHBondContact O-N 2.94Å; I1538-Q1540 PolarHBondContact O-N 3.12Å |
| 1541 | I | 90.4 | Very high | 90.1 | Very high | 4 Ų | 4 | 61.8 Ų | 61.8 | 2% | 0.021 | 33% | 0.325 | C | S | . | . | trans | -72.1 | 125.2 | 171.4 | -55.9 | 174.6 | 0 | 0 | 0 | 107.6 | Y1510 A1536 L1539 D1545 M1548 R1549 L1552 | Y1510-I1541 HydrophobicContact CD1-CG1 3.84Å; Y1510-I1541 HydrophobicContact CD2-CD1 4.42Å; Y1510-I1541 HydrophobicContact CD2-CG1 3.98Å; Y1510-I1541 HydrophobicContact CE1-CB 4.33Å; Y1510-I1541 HydrophobicContact CE1-CG1 4.08Å; Y1510-I1541 HydrophobicContact CE1-CG2 4.48Å; Y1510-I1541 HydrophobicContact CE2-CG1 4.19Å; Y1510-I1541 HydrophobicContact CE2-CG2 4.34Å; Y1510-I1541 HydrophobicContact CG-CG1 3.79Å; A1536-I1541 HydrophobicContact CB-CD1 4.42Å; A1536-I1541 PolarHBondContact O-N 3.04Å; L1539-I1541 HydrophobicContact CB-CD1 4.08Å; L1539-I1541 HydrophobicContact CB-CG1 3.83Å; L1539-I1541 HydrophobicContact CD1-CD1 4.15Å; L1539-I1541 PolarHBondContact O-N 3.26Å; I1541-D1545 HydrophobicContact CG2-CB 3.89Å; I1541-M1548 HydrophobicContact CG2-CB 4.2Å; I1541-R1549 HydrophobicContact CB-CG 4.32Å; I1541-R1549 HydrophobicContact CG2-CG 3.75Å; I1541-R1549 PolarHBondContact O-NE 3.28Å; I1541-R1549 PolarHBondContact O-NH2 3Å; I1541-L1552 HydrophobicContact CD1-CD2 4.1Å | ||
| 1542 | P | 87.3 | Confident | 90.4 | Very high | 60 Ų | 60 | 59.2 Ų | 59.2 | 39% | 0.39 | 31% | 0.311 | S | S | . | . | trans | -54.4 | 149.7 | 177.9 | -26.5 | 35.6 | 0 | 0 | 0 | 112.4 | Y1510 S1544 D1545 R1549 | Y1510-P1542 WeakPolarHBondContact OH-CD 3.43Å; P1542-S1544 PolarHBondContact O-N 2.86Å; P1542-D1545 HydrophobicContact CB-CB 4.29Å; P1542-D1545 PolarHBondContact O-N 2.99Å; P1542-D1545 VanDerWaalsContact O-N 3.15Å; P1542-R1549 WeakPolarHBondContact O-CD 3.47Å; P1542-R1549 PolarHBondContact O-NE 3.12Å | ||
| 1543 | N | 85.3 | Confident | 90.5 | Very high | 117 Ų | 117 | 62.3 Ų | 62.3 | 63% | 0.626 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -23.8 | 174.7 | -72.2 | -2.9 | 0 | 0 | 0 | 112.3 | D1545 R1549 | N1543-D1545 VanDerWaalsContact C-N 3.35Å; N1543-R1549 VanDerWaalsContact OD1-CZ 3.26Å; N1543-R1549 PolarHBondContact OD1-NH2 3.23Å |
| 1544 | S | 87.8 | Confident | 90.4 | Very high | 87 Ų | 87 | 60.9 Ų | 60.9 | 61% | 0.608 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -18.6 | 173.1 | 53.2 | 0 | 0 | 0 | 0 | 113.8 | P1542 V1546 | P1542-S1544 PolarHBondContact O-N 2.86Å; S1544-V1546 PolarHBondContact O-N 3.48Å |
| 1545 | D | 88.9 | Confident | 90.4 | Very high | 36 Ų | 36 | 60.8 Ų | 60.8 | 19% | 0.193 | 32% | 0.315 | C | S | . | . | trans | -85.7 | 64.8 | 176.9 | -170.8 | -5.6 | 0 | 0 | 0 | 110.1 | Y1510 I1541 P1542 N1543 Q1547 M1548 R1549 | Y1510-D1545 PolarHBondContact OH-OD2 3.43Å; I1541-D1545 HydrophobicContact CG2-CB 3.89Å; P1542-D1545 HydrophobicContact CB-CB 4.29Å; P1542-D1545 PolarHBondContact O-N 2.99Å; P1542-D1545 VanDerWaalsContact O-N 3.15Å; N1543-D1545 VanDerWaalsContact C-N 3.35Å; D1545-Q1547 PolarHBondContact O-N 2.89Å; D1545-M1548 VanDerWaalsContact CG-CB 3.49Å; D1545-M1548 VanDerWaalsContact CG-CG 3.48Å; D1545-M1548 PolarHBondContact O-N 3.39Å; D1545-M1548 VanDerWaalsContact OD1-CB 3.24Å; D1545-M1548 WeakPolarHBondContact OD1-CB 3.39Å; D1545-M1548 WeakPolarHBondContact OD1-CG 3.22Å; D1545-M1548 PolarHBondContact OD1-N 3.39Å; D1545-M1548 VanDerWaalsContact OD1-N 3.07Å; D1545-M1548 WeakPolarHBondContact OD2-CB 3.31Å; D1545-M1548 WeakPolarHBondContact OD2-CG 3.19Å; D1545-R1549 WeakPolarHBondContact O-CB 3.41Å; D1545-R1549 WeakPolarHBondContact O-CG 3.46Å; D1545-R1549 PolarHBondContact O-N 2.83Å; D1545-R1549 VanDerWaalsContact O-N 3.11Å | ||
| 1546 | V | 89 | Confident | 90.2 | Very high | 59 Ų | 59 | 60.8 Ų | 60.8 | 36% | 0.358 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62 | -35.7 | -177.5 | -176.7 | 0 | 0 | 0 | 0 | 110.8 | S1544 R1549 H1550 | S1544-V1546 PolarHBondContact O-N 3.48Å; V1546-R1549 PolarHBondContact O-N 2.79Å; V1546-H1550 WeakPolarHBondContact O-CB 3.49Å; V1546-H1550 PolarHBondContact O-N 2.99Å |
| 1547 | Q | 88.5 | Confident | 90 | Very high | 165 Ų | 165 | 64.5 Ų | 64.5 | 77% | 0.771 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -65 | -47.6 | -179.2 | -168.1 | -179.2 | 21 | 0 | 0 | 111.9 | D1545 K1551 | D1545-Q1547 PolarHBondContact O-N 2.89Å; Q1547-K1551 WeakPolarHBondContact O-CB 3.19Å; Q1547-K1551 PolarHBondContact O-N 3.16Å |
| 1548 | M | 88.3 | Confident | 89.8 | Confident | 42 Ų | 42 | 65.4 Ų | 65.4 | 21% | 0.207 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -70.6 | -33.6 | 177.6 | -65.2 | -66.1 | -146.2 | 0 | 0 | 112.2 | L1507 Y1510 I1541 D1545 K1551 L1552 | L1507-M1548 HydrophobicContact CD2-CB 3.74Å; L1507-M1548 HydrophobicContact CD2-CE 4.28Å; L1507-M1548 HydrophobicContact CD2-CG 4Å; L1507-M1548 HydrophobicContact CD2-SD 3.43Å; L1507-M1548 WeakPolarHBondContact CD2-SD 3.36Å; Y1510-M1548 HydrophobicContact CE2-CB 4.37Å; Y1510-M1548 HydrophobicContact CE2-CG 4.21Å; I1541-M1548 HydrophobicContact CG2-CB 4.2Å; D1545-M1548 VanDerWaalsContact CG-CB 3.49Å; D1545-M1548 VanDerWaalsContact CG-CG 3.48Å; D1545-M1548 PolarHBondContact O-N 3.39Å; D1545-M1548 VanDerWaalsContact OD1-CB 3.24Å; D1545-M1548 WeakPolarHBondContact OD1-CB 3.39Å; D1545-M1548 WeakPolarHBondContact OD1-CG 3.22Å; D1545-M1548 PolarHBondContact OD1-N 3.39Å; D1545-M1548 VanDerWaalsContact OD1-N 3.07Å; D1545-M1548 WeakPolarHBondContact OD2-CB 3.31Å; D1545-M1548 WeakPolarHBondContact OD2-CG 3.19Å; M1548-K1551 PolarHBondContact O-N 2.88Å; M1548-L1552 WeakPolarHBondContact O-CB 3.44Å; M1548-L1552 PolarHBondContact O-N 3Å |
| 1549 | R | 91.7 | Very high | 89.6 | Confident | 37 Ų | 37 | 64 Ų | 64 | 14% | 0.14 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.1 | -49.9 | 174.1 | -76.4 | 179.3 | 163.8 | -99.9 | -7.3 | 112.4 | A1536 I1541 P1542 N1543 D1545 V1546 K1551 L1552 E1553 | A1536-R1549 HydrophobicContact CB-CG 4.12Å; I1541-R1549 HydrophobicContact CB-CG 4.32Å; I1541-R1549 HydrophobicContact CG2-CG 3.75Å; I1541-R1549 PolarHBondContact O-NE 3.28Å; I1541-R1549 PolarHBondContact O-NH2 3Å; P1542-R1549 WeakPolarHBondContact O-CD 3.47Å; P1542-R1549 PolarHBondContact O-NE 3.12Å; N1543-R1549 VanDerWaalsContact OD1-CZ 3.26Å; N1543-R1549 PolarHBondContact OD1-NH2 3.23Å; D1545-R1549 WeakPolarHBondContact O-CB 3.41Å; D1545-R1549 WeakPolarHBondContact O-CG 3.46Å; D1545-R1549 PolarHBondContact O-N 2.83Å; D1545-R1549 VanDerWaalsContact O-N 3.11Å; V1546-R1549 PolarHBondContact O-N 2.79Å; R1549-K1551 VanDerWaalsContact C-N 3.32Å; R1549-K1551 PolarHBondContact O-N 3.41Å; R1549-L1552 WeakPolarHBondContact O-CB 3.41Å; R1549-L1552 PolarHBondContact O-N 3.33Å; R1549-E1553 WeakPolarHBondContact O-CB 3.34Å; R1549-E1553 PolarHBondContact O-N 2.88Å |
| 1550 | H | 89.6 | Confident | 89.3 | Confident | 108 Ų | 108 | 64.2 Ų | 64.2 | 50% | 0.5 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.8 | -37.9 | 177.3 | -176.6 | 55.8 | 0 | 0 | 0 | 111.9 | V1546 L1552 E1553 C1554 | V1546-H1550 WeakPolarHBondContact O-CB 3.49Å; V1546-H1550 PolarHBondContact O-N 2.99Å; H1550-L1552 PolarHBondContact O-N 3.4Å; H1550-E1553 IonicContact ND1-OE2 2.88Å; H1550-E1553 PolarHBondContact ND1-OE2 3.15Å; H1550-E1553 WeakPolarHBondContact O-CB 3.42Å; H1550-E1553 PolarHBondContact O-N 3.28Å; H1550-C1554 PolarHBondContact CE1-SG 2.82Å; H1550-C1554 PolarHBondContact O-N 3.05Å; H1550-C1554 PolarHBondContact O-SG 3.39Å |
| 1551 | K | 89.9 | Confident | 88.6 | Confident | 95 Ų | 95 | 63.6 Ų | 63.6 | 41% | 0.413 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63 | -41.3 | 174.5 | -163.4 | -177.7 | -164.3 | -171.6 | 0 | 112.7 | I1505 Q1547 M1548 R1549 E1555 | I1505-K1551 WeakPolarHBondContact O-CE 3.44Å; I1505-K1551 PolarHBondContact O-NZ 3.08Å; Q1547-K1551 WeakPolarHBondContact O-CB 3.19Å; Q1547-K1551 PolarHBondContact O-N 3.16Å; M1548-K1551 PolarHBondContact O-N 2.88Å; R1549-K1551 VanDerWaalsContact C-N 3.32Å; R1549-K1551 PolarHBondContact O-N 3.41Å; K1551-E1555 PolarHBondContact O-N 3.28Å |
| 1552 | L | 93.3 | Very high | 88 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.7 | -46.9 | 173.4 | 178.9 | 67.6 | 0 | 0 | 0 | 111 | W1501 L1502 L1507 F1535 A1536 L1539 I1541 M1548 R1549 H1550 L1556 | W1501-L1552 HydrophobicContact CH2-CD1 4.19Å; W1501-L1552 HydrophobicContact CZ3-CD1 4.41Å; L1502-L1552 HydrophobicContact CD2-CD1 3.62Å; L1507-L1552 HydrophobicContact CD1-CB 3.95Å; L1507-L1552 HydrophobicContact CD1-CD1 3.81Å; L1507-L1552 HydrophobicContact CD1-CG 4.42Å; F1535-L1552 HydrophobicContact CB-CD2 4.3Å; F1535-L1552 HydrophobicContact CD1-CD1 3.88Å; F1535-L1552 HydrophobicContact CD1-CD2 4.15Å; F1535-L1552 HydrophobicContact CD1-CG 4.26Å; F1535-L1552 HydrophobicContact CE1-CD1 3.88Å; F1535-L1552 HydrophobicContact CG-CD2 4.24Å; A1536-L1552 HydrophobicContact CB-CD2 3.96Å; L1539-L1552 HydrophobicContact CD1-CD1 4.02Å; L1539-L1552 HydrophobicContact CD1-CD2 3.66Å; I1541-L1552 HydrophobicContact CD1-CD2 4.1Å; M1548-L1552 WeakPolarHBondContact O-CB 3.44Å; M1548-L1552 PolarHBondContact O-N 3Å; R1549-L1552 WeakPolarHBondContact O-CB 3.41Å; R1549-L1552 PolarHBondContact O-N 3.33Å; H1550-L1552 PolarHBondContact O-N 3.4Å; L1552-L1556 WeakPolarHBondContact O-CB 3.41Å; L1552-L1556 PolarHBondContact O-N 3.5Å |
| 1553 | E | 92 | Very high | 87.4 | Confident | 74 Ų | 74 | 67.7 Ų | 67.7 | 35% | 0.346 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.2 | -51.7 | -180 | 177.1 | 177.7 | -138.5 | 0 | 0 | 112.3 | A1532 R1549 H1550 E1555 L1556 N1557 | A1532-E1553 HydrophobicContact CB-CB 3.72Å; A1532-E1553 HydrophobicContact CB-CG 3.84Å; R1549-E1553 WeakPolarHBondContact O-CB 3.34Å; R1549-E1553 PolarHBondContact O-N 2.88Å; H1550-E1553 IonicContact ND1-OE2 2.88Å; H1550-E1553 PolarHBondContact ND1-OE2 3.15Å; H1550-E1553 WeakPolarHBondContact O-CB 3.42Å; H1550-E1553 PolarHBondContact O-N 3.28Å; E1553-E1555 PolarHBondContact O-N 2.88Å; E1553-L1556 PolarHBondContact O-N 3.33Å; E1553-N1557 WeakPolarHBondContact CG-ND2 3.25Å; E1553-N1557 VanDerWaalsContact O-CB 3.29Å; E1553-N1557 WeakPolarHBondContact O-CB 3.4Å; E1553-N1557 VanDerWaalsContact O-CG 3.32Å; E1553-N1557 PolarHBondContact O-N 3.4Å; E1553-N1557 PolarHBondContact O-ND2 3.24Å |
| 1554 | C | 88.8 | Confident | 86.6 | Confident | 62 Ų | 62 | 66.8 Ų | 66.8 | 42% | 0.419 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.6 | -46.5 | 179.4 | -72.7 | 0 | 0 | 0 | 0 | 112.4 | H1550 R1558 | H1550-C1554 PolarHBondContact CE1-SG 2.82Å; H1550-C1554 PolarHBondContact O-N 3.05Å; H1550-C1554 PolarHBondContact O-SG 3.39Å; C1554-R1558 VanDerWaalsContact O-CB 3.3Å; C1554-R1558 WeakPolarHBondContact O-CB 3.43Å; C1554-R1558 PolarHBondContact O-N 3.33Å |
| 1555 | E | 90.1 | Very high | 84.5 | Confident | 42 Ų | 42 | 65.7 Ų | 65.7 | 20% | 0.196 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -72.6 | -33.9 | 179.9 | -80.7 | -70.7 | 122.2 | 0 | 0 | 112.8 | W1501 I1505 K1551 E1553 R1558 L1559 | W1501-E1555 HydrophobicContact CZ2-CB 3.81Å; I1505-E1555 HydrophobicContact CB-CG 4.33Å; I1505-E1555 HydrophobicContact CD1-CB 3.9Å; I1505-E1555 HydrophobicContact CD1-CG 4.31Å; I1505-E1555 HydrophobicContact CG2-CB 4.25Å; I1505-E1555 HydrophobicContact CG2-CG 3.86Å; I1505-E1555 WeakPolarHBondContact CG2-OE2 3.29Å; K1551-E1555 PolarHBondContact O-N 3.28Å; E1553-E1555 PolarHBondContact O-N 2.88Å; E1555-R1558 VanDerWaalsContact CD-NH2 3.34Å; E1555-R1558 IonicContact OE1-CZ 3.45Å; E1555-R1558 IonicContact OE1-NE 2.67Å; E1555-R1558 PolarHBondContact OE1-NE 3.4Å; E1555-R1558 IonicContact OE1-NH2 3.76Å; E1555-R1558 PolarHBondContact OE1-NH2 2.89Å; E1555-R1558 VanDerWaalsContact OE1-NH2 3.16Å; E1555-R1558 IonicContact OE2-CZ 2.68Å; E1555-R1558 IonicContact OE2-NE 3.33Å; E1555-R1558 IonicContact OE2-NH2 2.97Å; E1555-R1558 PolarHBondContact OE2-NH2 2.85Å; E1555-L1559 PolarHBondContact O-N 2.84Å; E1555-L1559 VanDerWaalsContact O-N 3.13Å |
| 1556 | L | 91.4 | Very high | 82.1 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.2 | -49.6 | 173 | 179.4 | 69.5 | 0 | 0 | 0 | 111 | W1501 M1524 A1532 F1535 L1552 E1553 R1558 L1559 L1560 | W1501-L1556 HydrophobicContact CH2-CB 4.43Å; M1524-L1556 HydrophobicContact CE-CD1 3.42Å; M1524-L1556 VanDerWaalsContact CE-CD1 3.42Å; A1532-L1556 HydrophobicContact CB-CD2 3.98Å; F1535-L1556 HydrophobicContact CD1-CD1 4Å; F1535-L1556 HydrophobicContact CD1-CD2 4.05Å; F1535-L1556 HydrophobicContact CE1-CD1 4.08Å; L1552-L1556 WeakPolarHBondContact O-CB 3.41Å; L1552-L1556 PolarHBondContact O-N 3.5Å; E1553-L1556 PolarHBondContact O-N 3.33Å; L1556-R1558 VanDerWaalsContact C-N 3.27Å; L1556-R1558 PolarHBondContact O-N 2.97Å; L1556-L1559 CarbonylContact O-C 3.55Å; L1556-L1559 WeakPolarHBondContact O-CB 3.46Å; L1556-L1559 PolarHBondContact O-N 3.43Å; L1556-L1560 HydrophobicContact CD1-CD1 3.9Å; L1556-L1560 HydrophobicContact CD1-CG 4.17Å; L1556-L1560 HydrophobicContact CD2-CD1 4.27Å; L1556-L1560 HydrophobicContact CG-CD1 3.78Å; L1556-L1560 HydrophobicContact CG-CG 4.3Å; L1556-L1560 WeakPolarHBondContact O-CG 3.43Å; L1556-L1560 PolarHBondContact O-N 2.95Å |
| 1557 | N | 88.3 | Confident | 79.3 | Confident | 80 Ų | 80 | 73.6 Ų | 73.6 | 43% | 0.428 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.1 | -37.4 | 178.9 | -74.6 | -28.9 | 0 | 0 | 0 | 110.9 | E1553 L1559 L1560 H1561 | E1553-N1557 WeakPolarHBondContact CG-ND2 3.25Å; E1553-N1557 VanDerWaalsContact O-CB 3.29Å; E1553-N1557 WeakPolarHBondContact O-CB 3.4Å; E1553-N1557 VanDerWaalsContact O-CG 3.32Å; E1553-N1557 PolarHBondContact O-N 3.4Å; E1553-N1557 PolarHBondContact O-ND2 3.24Å; N1557-L1559 VanDerWaalsContact C-N 3.31Å; N1557-L1559 PolarHBondContact O-N 3.45Å; N1557-L1560 PolarHBondContact O-N 3.02Å; N1557-H1561 WeakPolarHBondContact O-CB 3.49Å; N1557-H1561 PolarHBondContact O-N 3.22Å |
| 1558 | R | 88.1 | Confident | 76.5 | Confident | 130 Ų | 130 | 73.5 Ų | 73.5 | 49% | 0.491 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.9 | -34.1 | 172.6 | -166 | 175.1 | 70.5 | 76.1 | -0.6 | 113.2 | C1554 E1555 L1556 | C1554-R1558 VanDerWaalsContact O-CB 3.3Å; C1554-R1558 WeakPolarHBondContact O-CB 3.43Å; C1554-R1558 PolarHBondContact O-N 3.33Å; E1555-R1558 VanDerWaalsContact CD-NH2 3.34Å; E1555-R1558 IonicContact OE1-CZ 3.45Å; E1555-R1558 IonicContact OE1-NE 2.67Å; E1555-R1558 PolarHBondContact OE1-NE 3.4Å; E1555-R1558 IonicContact OE1-NH2 3.76Å; E1555-R1558 PolarHBondContact OE1-NH2 2.89Å; E1555-R1558 VanDerWaalsContact OE1-NH2 3.16Å; E1555-R1558 IonicContact OE2-CZ 2.68Å; E1555-R1558 IonicContact OE2-NE 3.33Å; E1555-R1558 IonicContact OE2-NH2 2.97Å; E1555-R1558 PolarHBondContact OE2-NH2 2.85Å; L1556-R1558 VanDerWaalsContact C-N 3.27Å; L1556-R1558 PolarHBondContact O-N 2.97Å |
| 1559 | L | 87.9 | Confident | 73.4 | Confident | 10 Ų | 10 | 78.8 Ų | 78.8 | 5% | 0.052 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -77.9 | -32.6 | 173.2 | -75.3 | -173.5 | 0 | 0 | 0 | 113.8 | L1487 L1490 W1493 W1501 E1555 L1556 N1557 P1562 | L1487-L1559 HydrophobicContact CB-CD2 4.03Å; L1487-L1559 HydrophobicContact CD2-CD2 4.36Å; L1490-L1559 HydrophobicContact CD2-CB 4.19Å; W1493-L1559 HydrophobicContact CH2-CD1 3.74Å; W1493-L1559 HydrophobicContact CH2-CD2 4.16Å; W1493-L1559 HydrophobicContact CZ3-CD1 3.91Å; W1501-L1559 HydrophobicContact CD2-CD1 3.87Å; W1501-L1559 HydrophobicContact CE3-CD1 4.46Å; W1501-L1559 HydrophobicContact CG-CD1 4.32Å; W1501-L1559 HydrophobicContact CH2-CD1 4.19Å; W1501-L1559 HydrophobicContact CZ2-CD1 3.54Å; W1501-L1559 HydrophobicContact CZ2-CG 4.24Å; E1555-L1559 PolarHBondContact O-N 2.84Å; E1555-L1559 VanDerWaalsContact O-N 3.13Å; L1556-L1559 CarbonylContact O-C 3.55Å; L1556-L1559 WeakPolarHBondContact O-CB 3.46Å; L1556-L1559 PolarHBondContact O-N 3.43Å; N1557-L1559 VanDerWaalsContact C-N 3.31Å; N1557-L1559 PolarHBondContact O-N 3.45Å; L1559-P1562 WeakPolarHBondContact O-CD 3.37Å |
| 1560 | L | 86.7 | Confident | 70.4 | Confident | 4 Ų | 4 | 84 Ų | 84 | 2% | 0.021 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -86.9 | -21 | -176.7 | -67.9 | -179.7 | 0 | 0 | 0 | 114 | L1490 M1524 V1525 L1556 N1557 P1562 Y1563 R1564 | L1490-L1560 HydrophobicContact CD2-CD2 3.66Å; M1524-L1560 HydrophobicContact CB-CD2 4.29Å; M1524-L1560 WeakPolarHBondContact O-CD2 3.49Å; V1525-L1560 HydrophobicContact CG2-CD2 4.34Å; L1556-L1560 HydrophobicContact CD1-CD1 3.9Å; L1556-L1560 HydrophobicContact CD1-CG 4.17Å; L1556-L1560 HydrophobicContact CD2-CD1 4.27Å; L1556-L1560 HydrophobicContact CG-CD1 3.78Å; L1556-L1560 HydrophobicContact CG-CG 4.3Å; L1556-L1560 WeakPolarHBondContact O-CG 3.43Å; L1556-L1560 PolarHBondContact O-N 2.95Å; N1557-L1560 PolarHBondContact O-N 3.02Å; L1560-P1562 VanDerWaalsContact C-CD 3.48Å; L1560-Y1563 WeakPolarHBondContact O-CA 3.47Å; L1560-Y1563 PolarHBondContact O-N 3.38Å; L1560-R1564 HydrophobicContact CB-CG 4.49Å; L1560-R1564 PolarHBondContact O-N 3.22Å |
| 1561 | H | 78.4 | Confident | 67.3 | Low | 124 Ų | 124 | 82.4 Ų | 82.4 | 57% | 0.574 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -52 | -44.4 | -179.3 | -165.3 | 91.1 | 0 | 0 | 0 | 113.9 | N1557 Y1563 R1564 S1565 | N1557-H1561 WeakPolarHBondContact O-CB 3.49Å; N1557-H1561 PolarHBondContact O-N 3.22Å; H1561-Y1563 PolarHBondContact O-N 3.42Å; H1561-Y1563 VanDerWaalsContact O-N 3.09Å; H1561-R1564 PolarHBondContact O-N 2.94Å; H1561-S1565 PolarHBondContact CD2-OG 3.33Å; H1561-S1565 PolarHBondContact CE1-OG 2.9Å; H1561-S1565 PolarHBondContact ND1-OG 3.44Å; H1561-S1565 PolarHBondContact NE2-OG 2.86Å; H1561-S1565 VanDerWaalsContact NE2-OG 3.1Å; H1561-S1565 VanDerWaalsContact O-CB 3.27Å; H1561-S1565 WeakPolarHBondContact O-CB 3.3Å; H1561-S1565 PolarHBondContact O-N 2.9Å; H1561-S1565 VanDerWaalsContact O-N 3.13Å; H1561-S1565 PolarHBondContact O-OG 3.2Å |
| 1562 | P | 76.2 | Confident | 64.2 | Low | 73 Ų | 73 | 82.5 Ų | 82.5 | 47% | 0.474 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.8 | -15.7 | 176.7 | -21.3 | 34.7 | 0 | 0 | 0 | 114.9 | L1559 L1560 | L1559-P1562 WeakPolarHBondContact O-CD 3.37Å; L1560-P1562 VanDerWaalsContact C-CD 3.48Å |
| 1563 | Y | 75 | Confident | 60.9 | Low | 76 Ų | 76 | 93.3 Ų | 93.3 | 30% | 0.298 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -105.1 | -33.2 | -177.6 | -63.4 | -79.4 | 0 | 0 | 0 | 113 | D1489 L1490 V1525 L1560 H1561 | D1489-Y1563 VanDerWaalsContact CA-OH 3.29Å; D1489-Y1563 WeakPolarHBondContact CA-OH 3.08Å; D1489-Y1563 PolarHBondContact N-OH 3.33Å; L1490-Y1563 HydrophobicContact CB-CD2 4.49Å; L1490-Y1563 HydrophobicContact CB-CE2 3.71Å; L1490-Y1563 PolarHBondContact N-OH 2.78Å; V1525-Y1563 HydrophobicContact CG1-CD1 3.64Å; V1525-Y1563 HydrophobicContact CG1-CE1 4.23Å; V1525-Y1563 HydrophobicContact CG1-CG 3.88Å; V1525-Y1563 HydrophobicContact CG2-CD1 4.4Å; V1525-Y1563 HydrophobicContact CG2-CD2 4.12Å; V1525-Y1563 HydrophobicContact CG2-CE2 4.37Å; V1525-Y1563 HydrophobicContact CG2-CG 4.14Å; L1560-Y1563 WeakPolarHBondContact O-CA 3.47Å; L1560-Y1563 PolarHBondContact O-N 3.38Å; H1561-Y1563 PolarHBondContact O-N 3.42Å; H1561-Y1563 VanDerWaalsContact O-N 3.09Å |
| 1564 | R | 69.3 | Low | 58.3 | Low | 99 Ų | 99 | 95.4 Ų | 95.4 | 37% | 0.374 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -90 | -25.6 | -179 | -64.1 | -169.6 | -179.6 | -136.1 | 0.3 | 113.8 | D1527 P1528 F1530 L1560 H1561 V1566 | D1527-R1564 PolarHBondContact O-NH2 3.4Å; P1528-R1564 PolarHBondContact O-NH1 3.06Å; F1530-R1564 PolarHBondContact O-NH2 2.96Å; L1560-R1564 HydrophobicContact CB-CG 4.49Å; L1560-R1564 PolarHBondContact O-N 3.22Å; H1561-R1564 PolarHBondContact O-N 2.94Å; R1564-V1566 PolarHBondContact O-N 2.99Å; R1564-V1566 VanDerWaalsContact O-N 3.09Å |
| 1565 | S | 43.9 | Very low | 55.2 | Low | 64 Ų | 64 | 97.9 Ų | 97.9 | 45% | 0.448 | 51% | 0.507 | S | S | . | . | G | 310 helix | trans | -76.3 | 10.9 | -175.3 | -60.1 | 0 | 0 | 0 | 0 | 116.2 | H1561 | H1561-S1565 PolarHBondContact CD2-OG 3.33Å; H1561-S1565 PolarHBondContact CE1-OG 2.9Å; H1561-S1565 PolarHBondContact ND1-OG 3.44Å; H1561-S1565 PolarHBondContact NE2-OG 2.86Å; H1561-S1565 VanDerWaalsContact NE2-OG 3.1Å; H1561-S1565 VanDerWaalsContact O-CB 3.27Å; H1561-S1565 WeakPolarHBondContact O-CB 3.3Å; H1561-S1565 PolarHBondContact O-N 2.9Å; H1561-S1565 VanDerWaalsContact O-N 3.13Å; H1561-S1565 PolarHBondContact O-OG 3.2Å |
| 1566 | V | 38.1 | Very low | 52.2 | Low | 105 Ų | 105 | 102.7 Ų | 102.7 | 64% | 0.636 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -78.4 | -19.6 | -176.2 | -178.9 | 0 | 0 | 0 | 0 | 113 | R1564 Q1568 | R1564-V1566 PolarHBondContact O-N 2.99Å; R1564-V1566 VanDerWaalsContact O-N 3.09Å; V1566-Q1568 PolarHBondContact O-N 2.77Å |
| 1567 | N | 30.5 | Very low | 49.2 | Very low | 155 Ų | 155 | 108.4 Ų | 108.4 | 83% | 0.829 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -89.2 | 10.8 | -167.4 | -79.7 | 7.8 | 0 | 0 | 0 | 116.8 | ||
| 1568 | Q | 28.5 | Very low | 46.4 | Very low | 164 Ų | 164 | 112 Ų | 112 | 77% | 0.766 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -117 | -6.4 | -176 | -70.3 | -166.6 | 4.2 | 0 | 0 | 116.7 | V1566 | V1566-Q1568 PolarHBondContact O-N 2.77Š|
| 1569 | N | 24.6 | Very low | 43.7 | Very low | 152 Ų | 152 | 111 Ų | 111 | 81% | 0.813 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -150.5 | 85.3 | 179.4 | -90.1 | -57.2 | 0 | 0 | 0 | 114.1 | ||
| 1570 | T | 27.4 | Very low | 41.1 | Very low | 147 Ų | 147 | 114.7 Ų | 114.7 | 90% | 0.902 | 61% | 0.613 | S | S | * | * | trans | -171.7 | 134.5 | 139.8 | 9.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1571 | S | 24.3 | Very low | 38.6 | Very low | 75 Ų | 75 | 119.6 Ų | 119.6 | 52% | 0.524 | 63% | 0.632 | S | S | . | * | trans | -97.3 | 162.6 | 176.3 | -168.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1572 | V | 24.5 | Very low | 36.6 | Very low | 97 Ų | 97 | 119 Ų | 119 | 59% | 0.588 | 63% | 0.634 | S | S | * | * | S | Bend | trans | 71 | 73.6 | 167.7 | -165.5 | 0 | 0 | 0 | 0 | 117.3 | ||
| 1573 | R | 25.7 | Very low | 35 | Very low | 226 Ų | 226 | 119 Ų | 119 | 85% | 0.853 | 63% | 0.632 | S | S | * | * | 173.4 | 117.9 | 113.6 | -96.2 | 170.5 | -174 | -152.4 | -0.3 | 112.1 | N1575 | R1573-N1575 PolarHBondContact O-N 3.32Š| |||
| 1574 | P | 36.7 | Very low | 33.1 | Very low | 119 Ų | 119 | 115.8 Ų | 115.8 | 77% | 0.773 | 62% | 0.622 | S | S | * | * | trans | -82.6 | 110 | 173.9 | 31.9 | -30.5 | 0 | 0 | 0 | 110.2 | ||||
| 1575 | N | 24.7 | Very low | 31.7 | Very low | 113 Ų | 113 | 113.9 Ų | 113.9 | 60% | 0.604 | 63% | 0.627 | S | S | * | * | trans | 172.3 | 73.5 | 151.7 | -95.8 | -47.1 | 0 | 0 | 0 | 111.3 | R1573 R1684 | R1573-N1575 PolarHBondContact O-N 3.32Å; N1575-R1684 PolarHBondContact OD1-NH1 3.07Å; N1575-R1684 PolarHBondContact OD1-NH2 3.36Å | ||
| 1576 | D | 26.1 | Very low | 31.5 | Very low | 143 Ų | 143 | 113.5 Ų | 113.5 | 77% | 0.765 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -167.8 | 118 | 142.1 | -98.2 | -21.1 | 0 | 0 | 0 | 111.2 | I1578 | D1576-I1578 PolarHBondContact O-N 3.16Š|
| 1577 | S | 28.9 | Very low | 31.6 | Very low | 120 Ų | 120 | 110.9 Ų | 110.9 | 84% | 0.839 | 60% | 0.603 | S | S | * | * | trans | 33.5 | 69.7 | 163.3 | -150.6 | 0 | 0 | 0 | 0 | 117.5 | M1579 | S1577-M1579 PolarHBondContact O-N 2.67Š| ||
| 1578 | I | 29.8 | Very low | 32.2 | Very low | 156 Ų | 156 | 105.3 Ų | 105.3 | 80% | 0.8 | 57% | 0.573 | S | S | * | * | trans | -53.7 | 138.2 | 157.7 | -69.7 | 175.2 | 0 | 0 | 0 | 107.9 | D1576 N1580 | D1576-I1578 PolarHBondContact O-N 3.16Å; I1578-N1580 VanDerWaalsContact C-N 3.27Å; I1578-N1580 PolarHBondContact O-N 3.13Å | ||
| 1579 | M | 31 | Very low | 32.8 | Very low | 110 Ų | 110 | 100 Ų | 100 | 54% | 0.542 | 56% | 0.557 | S | S | . | * | trans | -61.3 | 86.2 | 179.3 | -70.4 | -80.7 | -133.5 | 0 | 0 | 110.5 | R1468 L1526 S1577 Y1581 | R1468-M1579 PolarHBondContact NH2-SD 2.86Å; L1526-M1579 HydrophobicContact CD2-CE 4.12Å; S1577-M1579 PolarHBondContact O-N 2.67Å; M1579-Y1581 PolarHBondContact O-N 3.29Å; M1579-Y1581 VanDerWaalsContact O-N 3.11Å | ||
| 1580 | N | 33.2 | Very low | 33.7 | Very low | 86 Ų | 86 | 95.7 Ų | 95.7 | 46% | 0.46 | 54% | 0.539 | S | S | . | . | trans | -75.2 | 106.8 | -173.8 | -167.9 | 11.1 | 0 | 0 | 0 | 109.3 | I1578 D1582 T1583 | I1578-N1580 VanDerWaalsContact C-N 3.27Å; I1578-N1580 PolarHBondContact O-N 3.13Å; N1580-D1582 PolarHBondContact O-N 2.87Å; N1580-D1582 WeakPolarHBondContact OD1-CB 3.34Å; N1580-D1582 PolarHBondContact OD1-N 2.76Å; N1580-T1583 PolarHBondContact ND2-OG1 3.38Å; N1580-T1583 WeakPolarHBondContact O-CA 3.33Å; N1580-T1583 VanDerWaalsContact O-CB 3.28Å; N1580-T1583 WeakPolarHBondContact O-CB 3.5Å; N1580-T1583 PolarHBondContact O-N 3.06Å | ||
| 1581 | Y | 33 | Very low | 34.6 | Very low | 107 Ų | 107 | 89.4 Ų | 89.4 | 42% | 0.42 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -55.5 | -37 | 172.3 | -103.2 | -93.6 | 0 | 0 | 0 | 111.2 | P1528 D1529 M1579 T1583 A1584 A1585 | P1528-Y1581 HydrophobicContact CB-CE2 4.07Å; P1528-Y1581 VanDerWaalsContact CB-OH 3.25Å; P1528-Y1581 WeakPolarHBondContact CB-OH 3.36Å; P1528-Y1581 HydrophobicContact CG-CE2 3.62Å; D1529-Y1581 PolarHBondContact N-OH 2.98Å; D1529-Y1581 WeakPolarHBondContact OD1-CE1 3.46Å; D1529-Y1581 PolarHBondContact OD1-OH 2.98Å; M1579-Y1581 PolarHBondContact O-N 3.29Å; M1579-Y1581 VanDerWaalsContact O-N 3.11Å; Y1581-T1583 PolarHBondContact O-N 2.88Å; Y1581-T1583 VanDerWaalsContact O-N 3.12Å; Y1581-A1584 PolarHBondContact O-N 2.89Å; Y1581-A1585 PolarHBondContact O-N 2.74Å |
| 1582 | D | 36.7 | Very low | 34.8 | Very low | 112 Ų | 112 | 91.1 Ų | 91.1 | 60% | 0.599 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.7 | -21.4 | 172.9 | -64.4 | -27.9 | 0 | 0 | 0 | 111.7 | N1580 S1586 | N1580-D1582 PolarHBondContact O-N 2.87Å; N1580-D1582 WeakPolarHBondContact OD1-CB 3.34Å; N1580-D1582 PolarHBondContact OD1-N 2.76Å; D1582-S1586 WeakPolarHBondContact O-CA 3.4Å; D1582-S1586 WeakPolarHBondContact O-CB 3.5Å; D1582-S1586 PolarHBondContact O-N 2.86Å |
| 1583 | T | 42.7 | Very low | 35.1 | Very low | 72 Ų | 72 | 95.4 Ų | 95.4 | 44% | 0.442 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -80.3 | -21.7 | 172.2 | -60.1 | 0 | 0 | 0 | 0 | 113 | Y1460 N1580 Y1581 W1587 | Y1460-T1583 PolarHBondContact OH-O 2.86Å; N1580-T1583 PolarHBondContact ND2-OG1 3.38Å; N1580-T1583 WeakPolarHBondContact O-CA 3.33Å; N1580-T1583 VanDerWaalsContact O-CB 3.28Å; N1580-T1583 WeakPolarHBondContact O-CB 3.5Å; N1580-T1583 PolarHBondContact O-N 3.06Å; Y1581-T1583 PolarHBondContact O-N 2.88Å; Y1581-T1583 VanDerWaalsContact O-N 3.12Å; T1583-W1587 VanDerWaalsContact O-CB 3.26Å; T1583-W1587 WeakPolarHBondContact O-CB 3.39Å; T1583-W1587 PolarHBondContact O-N 3.36Å |
| 1584 | A | 35.5 | Very low | 35.3 | Very low | 10 Ų | 10 | 90 Ų | 90 | 8% | 0.083 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -79.2 | -48.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y1460 Y1581 W1587 I1588 | Y1460-A1584 HydrophobicContact CE1-CB 3.72Å; Y1581-A1584 PolarHBondContact O-N 2.89Å; A1584-W1587 PolarHBondContact O-N 2.97Å; A1584-W1587 VanDerWaalsContact O-N 3.15Å; A1584-I1588 PolarHBondContact O-N 3.38Å |
| 1585 | A | 40 | Very low | 34.7 | Very low | 58 Ų | 58 | 93.2 Ų | 93.2 | 48% | 0.479 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y1581 I1588 A1589 | Y1581-A1585 PolarHBondContact O-N 2.74Å; A1585-I1588 CarbonylContact O-C 3.58Å; A1585-I1588 WeakPolarHBondContact O-CA 3.31Å; A1585-I1588 WeakPolarHBondContact O-CB 3.3Å; A1585-I1588 PolarHBondContact O-N 3.49Å; A1585-A1589 WeakPolarHBondContact O-CB 3.41Å; A1585-A1589 PolarHBondContact O-N 3.31Å |
| 1586 | S | 40.1 | Very low | 34.8 | Very low | 57 Ų | 57 | 91.6 Ų | 91.6 | 40% | 0.399 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -79 | -9 | 172.3 | -163.3 | 0 | 0 | 0 | 0 | 113.5 | D1582 S1590 | D1582-S1586 WeakPolarHBondContact O-CA 3.4Å; D1582-S1586 WeakPolarHBondContact O-CB 3.5Å; D1582-S1586 PolarHBondContact O-N 2.86Å; S1586-S1590 WeakPolarHBondContact O-CA 3.46Å; S1586-S1590 WeakPolarHBondContact O-CB 3.41Å; S1586-S1590 PolarHBondContact O-N 3.18Å; S1586-S1590 PolarHBondContact O-OG 3.08Å; S1586-S1590 PolarHBondContact OG-OG 3.4Å; S1586-S1590 VanDerWaalsContact OG-OG 3.13Å |
| 1587 | W | 40.4 | Very low | 34.8 | Very low | 50 Ų | 50 | 89.1 Ų | 89.1 | 19% | 0.189 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -67.7 | -57 | 155.8 | -143.5 | 64.7 | 0 | 0 | 0 | 107.7 | L1436 Y1460 I1463 T1583 A1584 A1589 S1590 V1591 | L1436-W1587 WeakPolarHBondContact O-CH2 3.48Å; Y1460-W1587 HydrophobicContact CD2-CB 4.07Å; Y1460-W1587 AromaticContact CD2-CD2 3.67Å; Y1460-W1587 HydrophobicContact CD2-CD2 3.67Å; Y1460-W1587 AromaticContact CD2-CE3 3.39Å; Y1460-W1587 HydrophobicContact CD2-CE3 3.39Å; Y1460-W1587 AromaticContact CD2-CG 3.96Å; Y1460-W1587 HydrophobicContact CD2-CG 3.96Å; Y1460-W1587 HydrophobicContact CD2-CZ3 4.1Å; Y1460-W1587 HydrophobicContact CE2-CB 3.59Å; Y1460-W1587 AromaticContact CE2-CD2 3.79Å; Y1460-W1587 HydrophobicContact CE2-CD2 3.79Å; Y1460-W1587 HydrophobicContact CE2-CE3 4.01Å; Y1460-W1587 AromaticContact CE2-CG 3.6Å; Y1460-W1587 HydrophobicContact CE2-CG 3.6Å; Y1460-W1587 HydrophobicContact CG-CE3 4.3Å; I1463-W1587 HydrophobicContact CD1-CH2 4.3Å; T1583-W1587 VanDerWaalsContact O-CB 3.26Å; T1583-W1587 WeakPolarHBondContact O-CB 3.39Å; T1583-W1587 PolarHBondContact O-N 3.36Å; A1584-W1587 PolarHBondContact O-N 2.97Å; A1584-W1587 VanDerWaalsContact O-N 3.15Å; W1587-A1589 PolarHBondContact O-N 3.14Å; W1587-S1590 PolarHBondContact O-N 2.9Å; W1587-V1591 HydrophobicContact CD2-CG2 3.71Å; W1587-V1591 HydrophobicContact CE3-CG2 3.78Å; W1587-V1591 HydrophobicContact CG-CG2 4.19Å; W1587-V1591 HydrophobicContact CH2-CG2 4.31Å; W1587-V1591 HydrophobicContact CZ2-CG2 4.23Å; W1587-V1591 HydrophobicContact CZ3-CG2 4.09Å; W1587-V1591 WeakPolarHBondContact O-CB 3.45Å; W1587-V1591 WeakPolarHBondContact O-CG2 3.29Å; W1587-V1591 PolarHBondContact O-N 3.05Å |
| 1588 | I | 42.1 | Very low | 34.6 | Very low | 38 Ų | 38 | 90.2 Ų | 90.2 | 20% | 0.195 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -55.5 | -26.9 | -180 | -65.8 | 169 | 0 | 0 | 0 | 113.6 | L1457 A1584 A1585 | L1457-I1588 HydrophobicContact CD1-CD1 4.16Å; A1584-I1588 PolarHBondContact O-N 3.38Å; A1585-I1588 CarbonylContact O-C 3.58Å; A1585-I1588 WeakPolarHBondContact O-CA 3.31Å; A1585-I1588 WeakPolarHBondContact O-CB 3.3Å; A1585-I1588 PolarHBondContact O-N 3.49Å |
| 1589 | A | 41.1 | Very low | 34.3 | Very low | 51 Ų | 51 | 93.2 Ų | 93.2 | 42% | 0.421 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -98.8 | -30.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | A1585 W1587 V1591 E1592 | A1585-A1589 WeakPolarHBondContact O-CB 3.41Å; A1585-A1589 PolarHBondContact O-N 3.31Å; W1587-A1589 PolarHBondContact O-N 3.14Å; A1589-V1591 PolarHBondContact O-N 2.95Å; A1589-E1592 WeakPolarHBondContact O-CA 3.3Å; A1589-E1592 WeakPolarHBondContact O-CB 3.24Å; A1589-E1592 PolarHBondContact O-N 2.9Å |
| 1590 | S | 44.2 | Very low | 34 | Very low | 62 Ų | 62 | 94.5 Ų | 94.5 | 43% | 0.434 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -73.3 | -23.6 | 169.3 | -63.4 | 0 | 0 | 0 | 0 | 111.8 | S1586 W1587 E1592 R1593 | S1586-S1590 WeakPolarHBondContact O-CA 3.46Å; S1586-S1590 WeakPolarHBondContact O-CB 3.41Å; S1586-S1590 PolarHBondContact O-N 3.18Å; S1586-S1590 PolarHBondContact O-OG 3.08Å; S1586-S1590 PolarHBondContact OG-OG 3.4Å; S1586-S1590 VanDerWaalsContact OG-OG 3.13Å; W1587-S1590 PolarHBondContact O-N 2.9Å; S1590-E1592 PolarHBondContact O-N 3.37Å; S1590-R1593 WeakPolarHBondContact O-CB 3.36Å; S1590-R1593 PolarHBondContact O-N 2.85Å |
| 1591 | V | 45.5 | Very low | 33.7 | Very low | 15 Ų | 15 | 96.6 Ų | 96.6 | 9% | 0.091 | 50% | 0.504 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -5.4 | 165.1 | 164.9 | 0 | 0 | 0 | 0 | 110.4 | T1440 K1441 W1587 A1589 | T1440-V1591 VanDerWaalsContact C-CG1 3.41Å; T1440-V1591 WeakPolarHBondContact CB-O 3.45Å; K1441-V1591 HydrophobicContact CB-CG1 3.81Å; K1441-V1591 VanDerWaalsContact CB-O 3.29Å; K1441-V1591 WeakPolarHBondContact CB-O 3.23Å; K1441-V1591 HydrophobicContact CG-CG1 4.43Å; K1441-V1591 PolarHBondContact N-O 3Å; W1587-V1591 HydrophobicContact CD2-CG2 3.71Å; W1587-V1591 HydrophobicContact CE3-CG2 3.78Å; W1587-V1591 HydrophobicContact CG-CG2 4.19Å; W1587-V1591 HydrophobicContact CH2-CG2 4.31Å; W1587-V1591 HydrophobicContact CZ2-CG2 4.23Å; W1587-V1591 HydrophobicContact CZ3-CG2 4.09Å; W1587-V1591 WeakPolarHBondContact O-CB 3.45Å; W1587-V1591 WeakPolarHBondContact O-CG2 3.29Å; W1587-V1591 PolarHBondContact O-N 3.05Å; A1589-V1591 PolarHBondContact O-N 2.95Å |
| 1592 | E | 29.6 | Very low | 33.3 | Very low | 112 Ų | 112 | 100.2 Ų | 100.2 | 52% | 0.523 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 18.1 | 167.6 | -149.7 | 150.9 | -131.1 | 0 | 0 | 113.2 | K1441 A1589 S1590 | K1441-E1592 HydrophobicContact CD-CB 4.14Å; K1441-E1592 HydrophobicContact CD-CG 4.06Å; K1441-E1592 WeakPolarHBondContact CD-OE1 3.48Å; K1441-E1592 WeakPolarHBondContact CE-OE1 3.33Å; K1441-E1592 IonicContact NZ-OE1 3.49Å; K1441-E1592 PolarHBondContact NZ-OE1 3.19Å; K1441-E1592 IonicContact NZ-OE2 2.74Å; K1441-E1592 PolarHBondContact NZ-OE2 3.17Å; A1589-E1592 WeakPolarHBondContact O-CA 3.3Å; A1589-E1592 WeakPolarHBondContact O-CB 3.24Å; A1589-E1592 PolarHBondContact O-N 2.9Å; S1590-E1592 PolarHBondContact O-N 3.37Å |
| 1593 | R | 30.2 | Very low | 32.7 | Very low | 187 Ų | 187 | 102.5 Ų | 102.5 | 71% | 0.706 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -49.5 | 132.5 | 174.2 | -110.9 | -169.8 | -174.1 | -142.2 | 2.2 | 111.8 | S1590 | S1590-R1593 WeakPolarHBondContact O-CB 3.36Å; S1590-R1593 PolarHBondContact O-N 2.85Å |
| 1594 | P | 29.7 | Very low | 31.9 | Very low | 112 Ų | 112 | 108.4 Ų | 108.4 | 73% | 0.727 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 158.4 | 161.1 | -22.1 | 34 | 0 | 0 | 0 | 111.3 | P1596 | P1594-P1596 WeakPolarHBondContact O-CD 3.5Š|
| 1595 | E | 23.7 | Very low | 31.5 | Very low | 187 Ų | 187 | 114.4 Ų | 114.4 | 87% | 0.874 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 120.2 | -179.7 | -70.6 | -167 | 150.1 | 0 | 0 | 111.2 | A1597 | E1595-A1597 PolarHBondContact O-N 3.08Š|
| 1596 | P | 28.1 | Very low | 30.9 | Very low | 79 Ų | 79 | 115.4 Ų | 115.4 | 51% | 0.513 | 60% | 0.604 | S | S | . | * | P | Polyproline II helix | trans | -71.3 | 126.5 | 168 | 29.9 | -31.4 | 0 | 0 | 0 | 108.4 | P1594 Y1598 | P1594-P1596 WeakPolarHBondContact O-CD 3.5Å; P1596-Y1598 PolarHBondContact O-N 3.24Å |
| 1597 | A | 25.1 | Very low | 30.1 | Very low | 90 Ų | 90 | 120.4 Ų | 120.4 | 74% | 0.744 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 122.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | E1595 Y1599 | E1595-A1597 PolarHBondContact O-N 3.08Å; A1597-Y1599 PolarHBondContact O-N 3.32Å |
| 1598 | Y | 25.7 | Very low | 29.5 | Very low | 144 Ų | 144 | 122.1 Ų | 122.1 | 57% | 0.565 | 65% | 0.652 | S | S | * | * | trans | -70.6 | 114.6 | -179.5 | -84.4 | -110.7 | 0 | 0 | 0 | 109.1 | E1341 R1360 P1596 E1600 | E1341-Y1598 HydrophobicContact CB-CD1 4.28Å; E1341-Y1598 HydrophobicContact CB-CE1 4.14Å; E1341-Y1598 HydrophobicContact CG-CE1 4.33Å; R1360-Y1598 PolarHBondContact NH2-OH 2.96Å; P1596-Y1598 PolarHBondContact O-N 3.24Å; Y1598-E1600 PolarHBondContact O-N 2.81Å | ||
| 1599 | Y | 22.3 | Very low | 28.6 | Very low | 219 Ų | 219 | 128.9 Ų | 128.9 | 86% | 0.859 | 69% | 0.687 | S | S | * | * | trans | -66.6 | 129.8 | 167.3 | -96.9 | -98.2 | 0 | 0 | 0 | 109.9 | A1597 | A1597-Y1599 PolarHBondContact O-N 3.32Š| ||
| 1600 | E | 25.9 | Very low | 27.9 | Very low | 137 Ų | 137 | 129.7 Ų | 129.7 | 64% | 0.64 | 70% | 0.701 | S | S | * | * | trans | -99.1 | 105.9 | -175.8 | -171.2 | 159.8 | -144.6 | 0 | 0 | 109.3 | Y1598 Q1602 | Y1598-E1600 PolarHBondContact O-N 2.81Å; E1600-Q1602 PolarHBondContact O-N 3.44Å; E1600-Q1602 VanDerWaalsContact O-N 3.16Å | ||
| 1601 | N | 25.8 | Very low | 27 | Very low | 129 Ų | 129 | 132 Ų | 132 | 69% | 0.69 | 72% | 0.716 | S | S | * | * | trans | -76 | 100.7 | -177.2 | -72.8 | -22.1 | 0 | 0 | 0 | 111 | F1603 | N1601-F1603 HydrophobicContact CB-CD2 4.25Å; N1601-F1603 HydrophobicContact CB-CE2 4.01Å; N1601-F1603 PolarHBondContact O-N 3.11Å | ||
| 1602 | Q | 24.8 | Very low | 26 | Very low | 183 Ų | 183 | 138.9 Ų | 138.9 | 86% | 0.855 | 75% | 0.753 | S | S | * | * | trans | -82 | 104.5 | 165.5 | -69.3 | -171.6 | -10.4 | 0 | 0 | 110 | E1600 | E1600-Q1602 PolarHBondContact O-N 3.44Å; E1600-Q1602 VanDerWaalsContact O-N 3.16Å | ||
| 1603 | F | 24 | Very low | 25.8 | Very low | 160 Ų | 160 | 139.2 Ų | 139.2 | 70% | 0.702 | 77% | 0.768 | S | S | * | * | trans | -87.1 | 120.4 | 166 | -74.3 | -92.2 | 0 | 0 | 0 | 109.4 | N1601 | N1601-F1603 HydrophobicContact CB-CD2 4.25Å; N1601-F1603 HydrophobicContact CB-CE2 4.01Å; N1601-F1603 PolarHBondContact O-N 3.11Å | ||
| 1604 | E | 25.3 | Very low | 25.5 | Very low | 197 Ų | 197 | 135.1 Ų | 135.1 | 92% | 0.921 | 77% | 0.768 | S | S | * | * | trans | -109.6 | 137.9 | 155.4 | -70 | -154.9 | 144.4 | 0 | 0 | 109.9 | ||||
| 1605 | T | 28.6 | Very low | 25.2 | Very low | 135 Ų | 135 | 140.8 Ų | 140.8 | 83% | 0.828 | 78% | 0.776 | S | S | * | * | trans | -105.3 | 129.5 | -171.6 | 51.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1606 | G | 26.3 | Very low | 25.6 | Very low | 79 Ų | 79 | 142.2 Ų | 142.2 | 81% | 0.814 | 77% | 0.774 | S | S | * | * | trans | -142.4 | 107.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1607 | D | 24.8 | Very low | 25.6 | Very low | 163 Ų | 163 | 143.5 Ų | 143.5 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | trans | -74.1 | 147.5 | 172.6 | -60.7 | -77.3 | 0 | 0 | 0 | 112.1 | ||||
| 1608 | A | 25.9 | Very low | 25.5 | Very low | 86 Ų | 86 | 143.6 Ų | 143.6 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | 171.8 | 112 | 117.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 1609 | L | 25.1 | Very low | 25.4 | Very low | 179 Ų | 179 | 142.1 Ų | 142.1 | 94% | 0.937 | 78% | 0.783 | S | S | * | * | 57.6 | 112.9 | 126.3 | -57.9 | 171.9 | 0 | 0 | 0 | 122.9 | |||||
| 1610 | G | 24.8 | Very low | 25.5 | Very low | 69 Ų | 69 | 139.4 Ų | 139.4 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | trans | 99.4 | 154.7 | 134.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1611 | S | 25 | Very low | 25.3 | Very low | 109 Ų | 109 | 141.3 Ų | 141.3 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | cis | -167.6 | 149.9 | -11.4 | 53.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1612 | D | 24.5 | Very low | 25.5 | Very low | 160 Ų | 160 | 144.6 Ų | 144.6 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | trans | 36.9 | 125.1 | 156.9 | -63.8 | -20.3 | 0 | 0 | 0 | 121.3 | ||||
| 1613 | S | 26.2 | Very low | 25.4 | Very low | 120 Ų | 120 | 144 Ų | 144 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | -171.4 | 162.4 | 91.9 | -165.4 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1614 | S | 23.6 | Very low | 25.5 | Very low | 101 Ų | 101 | 148.3 Ų | 148.3 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | trans | -117.7 | 151.9 | -173.8 | 69.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1615 | Y | 23.7 | Very low | 25.5 | Very low | 230 Ų | 230 | 147.7 Ų | 147.7 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | trans | -143.6 | 143.4 | 156.8 | -112.8 | -80.9 | 0 | 0 | 0 | 113.1 | ||||
| 1616 | R | 32.4 | Very low | 25.4 | Very low | 218 Ų | 218 | 144.6 Ų | 144.6 | 82% | 0.823 | 80% | 0.798 | S | S | * | * | trans | -155.6 | 123 | -176.4 | 175.7 | -156.6 | 173 | -162.9 | 0.2 | 111.4 | ||||
| 1617 | P | 28.9 | Very low | 25.4 | Very low | 106 Ų | 106 | 148.9 Ų | 148.9 | 69% | 0.688 | 80% | 0.801 | S | S | * | * | trans | -124.6 | 147.2 | 140.6 | 3.7 | 19.3 | 0 | 0 | 0 | 110.7 | ||||
| 1618 | S | 22.1 | Very low | 25.3 | Very low | 91 Ų | 91 | 146 Ų | 146 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | 74.8 | 136.8 | 58.4 | -53.3 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1619 | T | 24 | Very low | 25.3 | Very low | 113 Ų | 113 | 153.2 Ų | 153.2 | 69% | 0.693 | 80% | 0.802 | S | S | * | * | cis | -164.4 | 167.7 | 9 | -4.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1620 | Q | 22.9 | Very low | 25.3 | Very low | 163 Ų | 163 | 151.7 Ų | 151.7 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | trans | 59.2 | 115.9 | 153.4 | -70.1 | 158.1 | -11.9 | 0 | 0 | 118.6 | ||||
| 1621 | Q | 22.3 | Very low | 25.4 | Very low | 177 Ų | 177 | 155.3 Ų | 155.3 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | 65.3 | 112.7 | 69.9 | -71.8 | -169 | -13.4 | 0 | 0 | 116 | |||||
| 1622 | H | 29.6 | Very low | 25.7 | Very low | 197 Ų | 197 | 156 Ų | 156 | 91% | 0.912 | 80% | 0.796 | S | S | * | * | trans | -150.6 | 157.1 | 139 | -102.6 | -70.1 | 0 | 0 | 0 | 110.8 | ||||
| 1623 | Q | 23.3 | Very low | 26.5 | Very low | 172 Ų | 172 | 151.7 Ų | 151.7 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -104 | 155.3 | -170.5 | -57.4 | 161.5 | -28.2 | 0 | 0 | 112.4 | ||||
| 1624 | R | 26.9 | Very low | 26.4 | Very low | 249 Ų | 249 | 153.9 Ų | 153.9 | 94% | 0.94 | 78% | 0.777 | S | S | * | * | trans | -166.1 | 169.6 | 134.8 | -110 | 166.3 | -170.5 | -147.3 | 0.1 | 113.9 | ||||
| 1625 | H | 24.2 | Very low | 26.5 | Very low | 185 Ų | 185 | 154.2 Ų | 154.2 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | trans | -120.3 | 164.7 | -170.8 | -58 | -65.8 | 0 | 0 | 0 | 112.8 | ||||
| 1626 | G | 26.7 | Very low | 26.7 | Very low | 69 Ų | 69 | 151.7 Ų | 151.7 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | trans | 146.4 | 75.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1627 | I | 25.8 | Very low | 26.4 | Very low | 169 Ų | 169 | 146.8 Ų | 146.8 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | 76.9 | 125.4 | 83.8 | -64.4 | 176.2 | 0 | 0 | 0 | 113.9 | |||||
| 1628 | S | 24.4 | Very low | 26.4 | Very low | 103 Ų | 103 | 147 Ų | 147 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | trans | -73.1 | 164.6 | -165 | -34.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1629 | R | 25.5 | Very low | 26.6 | Very low | 238 Ų | 238 | 151 Ų | 151 | 90% | 0.898 | 79% | 0.793 | S | S | * | * | trans | -132.5 | 140.1 | 141.4 | -81.4 | -171.3 | 169.9 | 171.2 | -2.5 | 110.9 | ||||
| 1630 | N | 24.2 | Very low | 26.7 | Very low | 146 Ų | 146 | 148.4 Ų | 148.4 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | trans | -99.5 | 142.6 | 172.3 | -61.3 | -27.8 | 0 | 0 | 0 | 109.7 | ||||
| 1631 | I | 28 | Very low | 27.1 | Very low | 146 Ų | 146 | 144.1 Ų | 144.1 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | trans | -138.2 | 147.2 | 147.8 | -62.5 | -172.9 | 0 | 0 | 0 | 108 | ||||
| 1632 | V | 30.6 | Very low | 27.3 | Very low | 124 Ų | 124 | 140.9 Ų | 140.9 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | trans | -141.7 | 134.1 | -176.5 | 168.4 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 1633 | P | 41.6 | Very low | 27.2 | Very low | 68 Ų | 68 | 137 Ų | 137 | 44% | 0.442 | 77% | 0.768 | S | S | . | * | -161 | 158.7 | 90.5 | 42.2 | -21.1 | 0 | 0 | 0 | 120.7 | M262 | M262-P1633 HydrophobicContact CE-CG 3.52Š| |||
| 1634 | I | 24.7 | Very low | 27.5 | Very low | 167 Ų | 167 | 134 Ų | 134 | 86% | 0.856 | 76% | 0.756 | S | S | * | * | trans | 72.8 | 161 | 138.9 | -70.8 | 167.1 | 0 | 0 | 0 | 118.7 | ||||
| 1635 | S | 25.5 | Very low | 27.3 | Very low | 107 Ų | 107 | 127.2 Ų | 127.2 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | trans | -135.9 | 150.4 | -153 | 54.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1636 | E | 26.1 | Very low | 27.5 | Very low | 178 Ų | 178 | 126 Ų | 126 | 83% | 0.832 | 74% | 0.743 | S | S | * | * | trans | -138.9 | 160.1 | 163.8 | -143.5 | 168.6 | -125.8 | 0 | 0 | 111.4 | ||||
| 1637 | S | 27.9 | Very low | 27.4 | Very low | 115 Ų | 115 | 130.6 Ų | 130.6 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | trans | -98.4 | 134.8 | -163 | 56.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1638 | S | 27.4 | Very low | 27.4 | Very low | 110 Ų | 110 | 126.6 Ų | 126.6 | 77% | 0.769 | 73% | 0.731 | S | S | * | * | trans | -135.1 | 127.9 | 164.3 | 51 | 0 | 0 | 0 | 0 | 111.4 | G1640 | S1638-G1640 PolarHBondContact O-N 3.35Š| ||
| 1639 | N | 27.9 | Very low | 27.6 | Very low | 175 Ų | 175 | 128.6 Ų | 128.6 | 94% | 0.936 | 73% | 0.729 | S | S | * | * | trans | -81.8 | 51.6 | -179.3 | -74 | -36.9 | 0 | 0 | 0 | 111.9 | ||||
| 1640 | G | 26.1 | Very low | 27.7 | Very low | 59 Ų | 59 | 126.8 Ų | 126.8 | 61% | 0.608 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 134.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | S1638 | S1638-G1640 PolarHBondContact O-N 3.35Š|
| 1641 | A | 30.7 | Very low | 27.8 | Very low | 72 Ų | 72 | 127.2 Ų | 127.2 | 60% | 0.595 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 129.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||
| 1642 | P | 26.6 | Very low | 27.9 | Very low | 109 Ų | 109 | 126.1 Ų | 126.1 | 71% | 0.708 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -63 | 128 | -173.1 | 24.1 | -33.2 | 0 | 0 | 0 | 109.8 | I1644 | P1642-I1644 PolarHBondContact O-N 3.14Š|
| 1643 | P | 27.8 | Very low | 27.8 | Very low | 116 Ų | 116 | 128.5 Ų | 128.5 | 75% | 0.753 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -59 | 139.2 | -178.7 | 24.2 | -33.7 | 0 | 0 | 0 | 109.8 | P1645 | P1643-P1645 WeakPolarHBondContact O-CD 3.35Š|
| 1644 | I | 28.3 | Very low | 27 | Very low | 108 Ų | 108 | 136.5 Ų | 136.5 | 55% | 0.554 | 75% | 0.749 | S | S | * | * | trans | -50.4 | 115 | -172.9 | -61.2 | 174.1 | 0 | 0 | 0 | 109.1 | P1642 I1646 | P1642-I1644 PolarHBondContact O-N 3.14Å; I1644-I1646 PolarHBondContact O-N 2.8Å | ||
| 1645 | P | 24.3 | Very low | 27.3 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | trans | -70.2 | 91.7 | -173.7 | -23 | 35.4 | 0 | 0 | 0 | 111.9 | P1643 R1647 | P1643-P1645 WeakPolarHBondContact O-CD 3.35Å; P1645-R1647 PolarHBondContact O-N 2.93Å | ||
| 1646 | I | 26.3 | Very low | 27.2 | Very low | 160 Ų | 160 | 145.5 Ų | 145.5 | 82% | 0.821 | 76% | 0.757 | S | S | * | * | trans | -52.8 | 130 | 163.2 | -59.8 | 176.3 | 0 | 0 | 0 | 107 | I1644 A1648 | I1644-I1646 PolarHBondContact O-N 2.8Å; I1646-A1648 VanDerWaalsContact C-N 3.28Å; I1646-A1648 PolarHBondContact O-N 3.47Å | ||
| 1647 | R | 25 | Very low | 27.4 | Very low | 164 Ų | 164 | 142.8 Ų | 142.8 | 62% | 0.619 | 76% | 0.755 | S | S | * | * | trans | -66.8 | 73.2 | -161.4 | -169.9 | 177.4 | 179 | 131.7 | -2.9 | 113.5 | D1472 P1645 Q1649 | D1472-R1647 IonicContact OD2-CZ 2.67Å; D1472-R1647 IonicContact OD2-NH1 3.71Å; D1472-R1647 PolarHBondContact OD2-NH1 2.96Å; D1472-R1647 IonicContact OD2-NH2 3.86Å; P1645-R1647 PolarHBondContact O-N 2.93Å; R1647-Q1649 PolarHBondContact O-N 3.23Å | ||
| 1648 | A | 27.1 | Very low | 27.4 | Very low | 85 Ų | 85 | 143.6 Ų | 143.6 | 70% | 0.702 | 76% | 0.755 | S | S | * | * | trans | -54.1 | 128 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109 | I1646 R1650 | I1646-A1648 VanDerWaalsContact C-N 3.28Å; I1646-A1648 PolarHBondContact O-N 3.47Å; A1648-R1650 PolarHBondContact O-N 2.95Å | ||
| 1649 | Q | 27.9 | Very low | 27.1 | Very low | 146 Ų | 146 | 143.2 Ų | 143.2 | 68% | 0.682 | 75% | 0.752 | S | S | * | * | trans | -60.4 | 111.7 | -169.2 | -68.2 | 177.7 | -18.6 | 0 | 0 | 110.7 | R1647 N1651 | R1647-Q1649 PolarHBondContact O-N 3.23Å; Q1649-N1651 PolarHBondContact O-N 2.94Å | ||
| 1650 | R | 27.8 | Very low | 27 | Very low | 199 Ų | 199 | 140.8 Ų | 140.8 | 75% | 0.751 | 74% | 0.744 | S | S | * | * | trans | -67.9 | 99 | 177.3 | -77.3 | -172.3 | 178.7 | 167.4 | 3.7 | 110.1 | A1648 T1652 | A1648-R1650 PolarHBondContact O-N 2.95Å; R1650-T1652 HydrophobicContact CB-CG2 4.12Å; R1650-T1652 PolarHBondContact O-N 3.04Å | ||
| 1651 | N | 27 | Very low | 27 | Very low | 156 Ų | 156 | 142.9 Ų | 142.9 | 83% | 0.834 | 75% | 0.749 | S | S | * | * | trans | -65.6 | 96.3 | 158.2 | -84.1 | -23.7 | 0 | 0 | 0 | 108.6 | Q1649 E1653 | Q1649-N1651 PolarHBondContact O-N 2.94Å; N1651-E1653 PolarHBondContact O-N 3.43Å | ||
| 1652 | T | 29.6 | Very low | 26.7 | Very low | 122 Ų | 122 | 148.2 Ų | 148.2 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | -78.8 | 60.3 | -174.9 | 56.7 | 0 | 0 | 0 | 0 | 112.7 | R1650 | R1650-T1652 HydrophobicContact CB-CG2 4.12Å; R1650-T1652 PolarHBondContact O-N 3.04Å | ||
| 1653 | E | 27.3 | Very low | 26.7 | Very low | 175 Ų | 175 | 150.8 Ų | 150.8 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -116.4 | 85.1 | 174.9 | -70 | -161.5 | 169.9 | 0 | 0 | 112.3 | N1651 | N1651-E1653 PolarHBondContact O-N 3.43Š| ||
| 1654 | R | 26.5 | Very low | 26.6 | Very low | 236 Ų | 236 | 150.8 Ų | 150.8 | 89% | 0.891 | 77% | 0.767 | S | S | * | * | trans | -167 | 89.5 | 150.7 | -105 | 156.8 | -157.5 | -117.7 | 3 | 109.9 | ||||
| 1655 | R | 29.5 | Very low | 26.4 | Very low | 247 Ų | 247 | 151.3 Ų | 151.3 | 93% | 0.932 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 127.2 | 158 | -77.4 | -178.9 | 174.4 | 166 | -1.1 | 107.7 | ||
| 1656 | Y | 24.2 | Very low | 26.6 | Very low | 216 Ų | 216 | 152.9 Ų | 152.9 | 85% | 0.847 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 124.4 | 161.1 | -74.8 | -94.3 | 0 | 0 | 0 | 108.1 | ||
| 1657 | P | 30 | Very low | 26.6 | Very low | 121 Ų | 121 | 150.3 Ų | 150.3 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 126.4 | -174.1 | 30.3 | -33.5 | 0 | 0 | 0 | 111.4 | S1659 | P1657-S1659 PolarHBondContact O-N 3.05Š|
| 1658 | T | 27.4 | Very low | 26.7 | Very low | 132 Ų | 132 | 151.1 Ų | 151.1 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 123.9 | 172.8 | -46.3 | 0 | 0 | 0 | 0 | 110.2 | T1660 | T1658-T1660 PolarHBondContact O-N 2.92Š|
| 1659 | S | 22.5 | Very low | 26.8 | Very low | 101 Ų | 101 | 154.8 Ų | 154.8 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 128.9 | 170.6 | -48.6 | 0 | 0 | 0 | 0 | 111.6 | P1657 | P1657-S1659 PolarHBondContact O-N 3.05Š|
| 1660 | T | 24.8 | Very low | 26.7 | Very low | 125 Ų | 125 | 157 Ų | 157 | 77% | 0.767 | 80% | 0.803 | S | S | * | * | 163.9 | 157.2 | 104.9 | -70.2 | 0 | 0 | 0 | 0 | 110.5 | T1658 | T1658-T1660 PolarHBondContact O-N 2.92Š| |||
| 1661 | S | 25.8 | Very low | 26.9 | Very low | 102 Ų | 102 | 153.1 Ų | 153.1 | 71% | 0.713 | 80% | 0.804 | S | S | * | * | trans | 82.8 | 85.1 | 170.9 | -56.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1662 | Q | 24.1 | Very low | 27.1 | Very low | 184 Ų | 184 | 151.6 Ų | 151.6 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | 42 | 111.6 | 128.6 | -59.6 | 175.2 | -1 | 0 | 0 | 119.5 | |||||
| 1663 | L | 28.4 | Very low | 26.9 | Very low | 163 Ų | 163 | 154.4 Ų | 154.4 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | -173 | 97.8 | 114.5 | -98.5 | 162.2 | 0 | 0 | 0 | 112.6 | |||||
| 1664 | T | 24.2 | Very low | 27 | Very low | 116 Ų | 116 | 153.3 Ų | 153.3 | 71% | 0.712 | 81% | 0.811 | S | S | * | * | 46.4 | 103.8 | 127.4 | -46.4 | 0 | 0 | 0 | 0 | 121 | |||||
| 1665 | V | 24.3 | Very low | 27 | Very low | 120 Ų | 120 | 146 Ų | 146 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | 90.6 | 143.4 | 134.8 | 168.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1666 | N | 29.6 | Very low | 26.9 | Very low | 141 Ų | 141 | 142 Ų | 142 | 75% | 0.754 | 80% | 0.799 | S | S | * | * | trans | 73.1 | 83.8 | 166 | -73.1 | -11.1 | 0 | 0 | 0 | 120.9 | ||||
| 1667 | S | 25 | Very low | 27 | Very low | 106 Ų | 106 | 138.8 Ų | 138.8 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | 35.7 | 141.6 | 105.7 | -53.2 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 1668 | Q | 26.7 | Very low | 26.8 | Very low | 180 Ų | 180 | 138.4 Ų | 138.4 | 84% | 0.841 | 80% | 0.796 | S | S | * | * | trans | 68.6 | 92.3 | 163.2 | -66.6 | 178.6 | -28.8 | 0 | 0 | 117.5 | ||||
| 1669 | N | 30.8 | Very low | 26.7 | Very low | 163 Ų | 163 | 143.4 Ų | 143.4 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | -172.5 | 130.8 | 110.7 | -92.3 | -36.2 | 0 | 0 | 0 | 112.1 | |||||
| 1670 | Q | 25.7 | Very low | 26.9 | Very low | 193 Ų | 193 | 145.9 Ų | 145.9 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 129.6 | 164.8 | -76.8 | -178.2 | -29.4 | 0 | 0 | 109.5 | ||
| 1671 | P | 31.8 | Very low | 26.9 | Very low | 117 Ų | 117 | 146.8 Ų | 146.8 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 147.8 | 151 | 33.8 | -27.8 | 0 | 0 | 0 | 110.5 | ||
| 1672 | P | 30.7 | Very low | 27 | Very low | 124 Ų | 124 | 150.7 Ų | 150.7 | 81% | 0.805 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 150 | -169.4 | 32.8 | -36 | 0 | 0 | 0 | 114.2 | N1674 | P1672-N1674 PolarHBondContact O-N 3.36Š|
| 1673 | L | 25.5 | Very low | 27.2 | Very low | 181 Ų | 181 | 151.5 Ų | 151.5 | 95% | 0.948 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -61 | 125.1 | 161.5 | -70.7 | 160.6 | 0 | 0 | 0 | 109.6 | ||
| 1674 | N | 28.6 | Very low | 27 | Very low | 151 Ų | 151 | 151.6 Ų | 151.6 | 81% | 0.807 | 80% | 0.797 | S | S | * | * | trans | -107.3 | 104.3 | 165.6 | -167.3 | 1.7 | 0 | 0 | 0 | 109.1 | P1672 | P1672-N1674 PolarHBondContact O-N 3.36Š| ||
| 1675 | A | 27.6 | Very low | 27.1 | Very low | 84 Ų | 84 | 153.1 Ų | 153.1 | 69% | 0.694 | 80% | 0.801 | S | S | * | * | trans | -90.1 | 111.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1676 | N | 28 | Very low | 27.1 | Very low | 162 Ų | 162 | 152.2 Ų | 152.2 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | trans | -157.1 | 75.1 | 158.5 | -100.7 | -35.3 | 0 | 0 | 0 | 110.2 | ||||
| 1677 | L | 26.5 | Very low | 27 | Very low | 148 Ų | 148 | 148.9 Ų | 148.9 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | trans | -150.1 | 68.3 | 176.5 | -141.5 | 176.7 | 0 | 0 | 0 | 110.2 | ||||
| 1678 | S | 24.6 | Very low | 26.9 | Very low | 114 Ų | 114 | 152.3 Ų | 152.3 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | -170 | 80.1 | 167.2 | -84.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1679 | R | 24.9 | Very low | 26.9 | Very low | 237 Ų | 237 | 148.8 Ų | 148.8 | 89% | 0.894 | 81% | 0.805 | S | S | * | * | 168.2 | 102.9 | 127.7 | -94.3 | 174.9 | 175.9 | 173.5 | -1.1 | 111.5 | |||||
| 1680 | N | 27.7 | Very low | 26.8 | Very low | 152 Ų | 152 | 149 Ų | 149 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | -155 | 97.3 | 102.2 | -99.8 | -17.8 | 0 | 0 | 0 | 110.3 | |||||
| 1681 | L | 25.5 | Very low | 27 | Very low | 145 Ų | 145 | 145.4 Ų | 145.4 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | trans | -116.8 | 97.6 | 153.3 | -90.9 | 171.5 | 0 | 0 | 0 | 105.7 | ||||
| 1682 | Q | 27.3 | Very low | 26.8 | Very low | 183 Ų | 183 | 144.9 Ų | 144.9 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | trans | -137.1 | 112.7 | 160.3 | -126.9 | 174.8 | -10.6 | 0 | 0 | 106.8 | ||||
| 1683 | Y | 28.4 | Very low | 26.6 | Very low | 202 Ų | 202 | 150.3 Ų | 150.3 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | trans | -64.8 | 137.1 | 175.6 | -85.9 | -109.2 | 0 | 0 | 0 | 109.3 | ||||
| 1684 | R | 24.1 | Very low | 26.5 | Very low | 165 Ų | 165 | 145.9 Ų | 145.9 | 62% | 0.623 | 78% | 0.775 | S | S | * | * | trans | -149.5 | 142.1 | 136.5 | -122.1 | 173.9 | -174 | -132.6 | -17.2 | 111.4 | N1575 | N1575-R1684 PolarHBondContact OD1-NH1 3.07Å; N1575-R1684 PolarHBondContact OD1-NH2 3.36Å | ||
| 1685 | N | 25.8 | Very low | 26.4 | Very low | 148 Ų | 148 | 146.1 Ų | 146.1 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | -89 | 127.8 | -174.9 | -46.9 | -51.3 | 0 | 0 | 0 | 110 | ||||
| 1686 | A | 25.3 | Very low | 26.3 | Very low | 100 Ų | 100 | 149.2 Ų | 149.2 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | trans | 178.2 | 154.8 | 138.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | M1688 | A1686-M1688 PolarHBondContact O-N 2.76Š| ||
| 1687 | G | 25.6 | Very low | 26.3 | Very low | 71 Ų | 71 | 148.4 Ų | 148.4 | 73% | 0.732 | 76% | 0.763 | S | S | * | * | trans | 69.2 | 31.6 | 147.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | C1689 | G1687-C1689 PolarHBondContact O-N 3.47Š| ||
| 1688 | M | 24.6 | Very low | 26.4 | Very low | 178 Ų | 178 | 148.1 Ų | 148.1 | 88% | 0.877 | 76% | 0.763 | S | S | * | * | trans | -81.8 | 74.7 | 145.8 | -76.1 | -99.5 | 65.3 | 0 | 0 | 107.8 | A1686 | A1686-M1688 PolarHBondContact O-N 2.76Š| ||
| 1689 | C | 25.6 | Very low | 26.6 | Very low | 107 Ų | 107 | 149.5 Ų | 149.5 | 72% | 0.723 | 76% | 0.756 | S | S | * | * | trans | -67.7 | 144.5 | 145 | -74.8 | 0 | 0 | 0 | 0 | 107 | G1687 D1691 | G1687-C1689 PolarHBondContact O-N 3.47Å; C1689-D1691 PolarHBondContact O-N 3.21Å | ||
| 1690 | D | 29.3 | Very low | 26.9 | Very low | 168 Ų | 168 | 144.1 Ų | 144.1 | 90% | 0.898 | 75% | 0.752 | S | S | * | * | trans | -62.7 | 124.8 | 168.4 | -56.1 | -88.1 | 0 | 0 | 0 | 109.1 | ||||
| 1691 | D | 30 | Very low | 27.6 | Very low | 116 Ų | 116 | 139.9 Ų | 139.9 | 62% | 0.62 | 73% | 0.734 | S | S | * | * | trans | -136.3 | 126.4 | 152.2 | -145.1 | -7.4 | 0 | 0 | 0 | 108.9 | C1689 | C1689-D1691 PolarHBondContact O-N 3.21Š| ||
| 1692 | N | 26.5 | Very low | 28.2 | Very low | 107 Ų | 107 | 140.2 Ų | 140.2 | 57% | 0.572 | 73% | 0.732 | S | S | * | * | trans | 62.2 | 120.1 | 173.1 | -52.9 | -65.4 | 0 | 0 | 0 | 116.2 | ||||
| 1693 | Y | 26.3 | Very low | 28.5 | Very low | 238 Ų | 238 | 137 Ų | 137 | 93% | 0.933 | 72% | 0.72 | S | S | * | * | cis | 54.3 | 24.2 | 19.9 | -97.7 | -68.2 | 0 | 0 | 0 | 115.8 | ||||
| 1694 | S | 24.5 | Very low | 29.1 | Very low | 88 Ų | 88 | 134.2 Ų | 134.2 | 62% | 0.615 | 72% | 0.715 | S | S | * | * | trans | -109 | 122.9 | 153.2 | 63.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1695 | F | 25.4 | Very low | 30.1 | Very low | 156 Ų | 156 | 135.9 Ų | 135.9 | 68% | 0.684 | 72% | 0.721 | S | S | * | * | cis | -114.2 | 160.8 | 14.5 | -106.6 | -128.9 | 0 | 0 | 0 | 110.4 | H1697 | F1695-H1697 HydrophobicContact CD1-CB 4.36Å; F1695-H1697 HydrophobicContact CE1-CB 4.02Å; F1695-H1697 HydrophobicContact CZ-CB 4.45Å | ||
| 1696 | L | 26.4 | Very low | 30.8 | Very low | 148 Ų | 148 | 137.9 Ų | 137.9 | 78% | 0.775 | 72% | 0.717 | S | S | * | * | cis | -122.7 | 119.5 | 46.5 | -68.3 | 167 | 0 | 0 | 0 | 114.6 | N1698 | L1696-N1698 PolarHBondContact O-N 3.16Š| ||
| 1697 | H | 27.1 | Very low | 31.5 | Very low | 145 Ų | 145 | 139.2 Ų | 139.2 | 67% | 0.671 | 71% | 0.71 | S | S | * | * | trans | -61.2 | 125.9 | 134.1 | -99.5 | -93.7 | 0 | 0 | 0 | 108.5 | F1695 | F1695-H1697 HydrophobicContact CD1-CB 4.36Å; F1695-H1697 HydrophobicContact CE1-CB 4.02Å; F1695-H1697 HydrophobicContact CZ-CB 4.45Å | ||
| 1698 | N | 29.3 | Very low | 32.4 | Very low | 143 Ų | 143 | 144.2 Ų | 144.2 | 77% | 0.765 | 71% | 0.712 | S | S | * | * | trans | -176.7 | 112.7 | 132.8 | -91.6 | -25.1 | 0 | 0 | 0 | 111.8 | L1696 | L1696-N1698 PolarHBondContact O-N 3.16Š| ||
| 1699 | E | 30 | Very low | 33 | Very low | 142 Ų | 142 | 144.7 Ų | 144.7 | 66% | 0.664 | 71% | 0.709 | S | S | * | * | trans | 47.2 | 82.8 | 148.9 | -77.4 | -70.3 | 122.5 | 0 | 0 | 118.5 | S1701 | E1699-S1701 PolarHBondContact O-N 3.37Å; E1699-S1701 VanDerWaalsContact OE2-CB 3.3Å; E1699-S1701 WeakPolarHBondContact OE2-CB 3.42Å; E1699-S1701 PolarHBondContact OE2-OG 3.49Å | ||
| 1700 | P | 30 | Very low | 33.3 | Very low | 125 Ų | 125 | 149 Ų | 149 | 81% | 0.812 | 73% | 0.725 | S | S | * | * | trans | -72.1 | 31.8 | 170.2 | 32.3 | -35.8 | 0 | 0 | 0 | 114.4 | Q1702 | P1700-Q1702 PolarHBondContact O-N 3.15Š| ||
| 1701 | S | 41.7 | Very low | 33.5 | Very low | 62 Ų | 62 | 148.1 Ų | 148.1 | 43% | 0.434 | 72% | 0.716 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.5 | 2.6 | -166.1 | -58.1 | 0 | 0 | 0 | 0 | 115.6 | E1699 | E1699-S1701 PolarHBondContact O-N 3.37Å; E1699-S1701 VanDerWaalsContact OE2-CB 3.3Å; E1699-S1701 WeakPolarHBondContact OE2-CB 3.42Å; E1699-S1701 PolarHBondContact OE2-OG 3.49Å |
| 1702 | Q | 39.7 | Very low | 33.6 | Very low | 152 Ų | 152 | 149.8 Ų | 149.8 | 71% | 0.71 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.7 | -33 | -173.3 | -73.2 | -85.8 | -4.3 | 0 | 0 | 114.4 | P1700 R1705 | P1700-Q1702 PolarHBondContact O-N 3.15Å; Q1702-R1705 PolarHBondContact O-N 3.03Å |
| 1703 | L | 33.6 | Very low | 34 | Very low | 116 Ų | 116 | 152.2 Ų | 152.2 | 61% | 0.607 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -31.9 | -172.6 | -164.1 | 67 | 0 | 0 | 0 | 112.9 | R1705 R1706 L1707 | L1703-R1705 PolarHBondContact O-N 3.07Å; L1703-R1706 HydrophobicContact CD1-CB 4.45Å; L1703-R1706 WeakPolarHBondContact O-CA 3.49Å; L1703-R1706 WeakPolarHBondContact O-CB 3.45Å; L1703-R1706 PolarHBondContact O-N 3.49Å; L1703-L1707 PolarHBondContact O-N 3.21Å; L1703-L1707 VanDerWaalsContact O-N 3.08Å |
| 1704 | E | 41.2 | Very low | 34.5 | Very low | 144 Ų | 144 | 147.1 Ų | 147.1 | 67% | 0.673 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -28.7 | 175.1 | -157.5 | -175.5 | -150.1 | 0 | 0 | 112.1 | R1706 L1707 K1708 | E1704-R1706 VanDerWaalsContact C-N 3.28Å; E1704-R1706 PolarHBondContact O-N 3.37Å; E1704-L1707 PolarHBondContact O-N 3.27Å; E1704-K1708 PolarHBondContact O-N 3.48Å |
| 1705 | R | 44 | Very low | 35.1 | Very low | 199 Ų | 199 | 150.8 Ų | 150.8 | 75% | 0.751 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -16.3 | 170.9 | -66.6 | -172.3 | 179.9 | -167.4 | 0.7 | 114 | Q1702 L1703 | Q1702-R1705 PolarHBondContact O-N 3.03Å; L1703-R1705 PolarHBondContact O-N 3.07Å |
| 1706 | R | 40.9 | Very low | 35.8 | Very low | 190 Ų | 190 | 150.5 Ų | 150.5 | 72% | 0.717 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -33.5 | 171.8 | -81.4 | -175.3 | 161.8 | -179.6 | -5.2 | 112.6 | L1703 E1704 K1708 K1709 N1710 | L1703-R1706 HydrophobicContact CD1-CB 4.45Å; L1703-R1706 WeakPolarHBondContact O-CA 3.49Å; L1703-R1706 WeakPolarHBondContact O-CB 3.45Å; L1703-R1706 PolarHBondContact O-N 3.49Å; E1704-R1706 VanDerWaalsContact C-N 3.28Å; E1704-R1706 PolarHBondContact O-N 3.37Å; R1706-K1708 PolarHBondContact O-N 2.95Å; R1706-K1709 PolarHBondContact O-N 3.31Å; R1706-N1710 PolarHBondContact O-N 3.47Å; R1706-N1710 VanDerWaalsContact O-N 3.17Å |
| 1707 | L | 39.6 | Very low | 36.4 | Very low | 129 Ų | 129 | 150.6 Ų | 150.6 | 68% | 0.675 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | 6 | 171.6 | -74 | 168.4 | 0 | 0 | 0 | 114.4 | L1703 E1704 | L1703-L1707 PolarHBondContact O-N 3.21Å; L1703-L1707 VanDerWaalsContact O-N 3.08Å; E1704-L1707 PolarHBondContact O-N 3.27Å |
| 1708 | K | 44.4 | Very low | 37.1 | Very low | 176 Ų | 176 | 151.1 Ų | 151.1 | 77% | 0.765 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.3 | 19.6 | 160.7 | -77.4 | -178.9 | 174.7 | 168.2 | 0 | 112.7 | E1704 R1706 | E1704-K1708 PolarHBondContact O-N 3.48Å; R1706-K1708 PolarHBondContact O-N 2.95Å |
| 1709 | K | 38.3 | Very low | 37.8 | Very low | 187 Ų | 187 | 151.8 Ų | 151.8 | 81% | 0.813 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.6 | -4.2 | 176.6 | -124 | -177.2 | -177.6 | -175.7 | 0 | 115.7 | R1706 | R1706-K1709 PolarHBondContact O-N 3.31Š|
| 1710 | N | 30.5 | Very low | 38.5 | Very low | 199 Ų | 199 | 152.6 Ų | 152.6 | 100% | 1.064 | 73% | 0.729 | S | S | * | * | trans | -111.9 | 0 | 148.5 | -69.5 | -6.5 | 0 | 0 | 0 | 107.4 | R1706 | R1706-N1710 PolarHBondContact O-N 3.47Å; R1706-N1710 VanDerWaalsContact O-N 3.17Å |
Retrieved 1,710 of 1,710 residues in 241.4 ms
(Link to these results)