| 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 | 32.2 | Very low | 28.7 | Very low | 254 Ų | 254 | 154.8 Ų | 154.8 | 100% | 1.251 | 81% | 0.806 | S | S | * | * | 0 | 105.2 | 0 | -70.6 | 174.9 | 172 | 0 | 0 | 108.1 | |||||
| 2 | A | 28.3 | Very low | 28.9 | Very low | 98 Ų | 98 | 151.4 Ų | 151.4 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | trans | -98.4 | 121.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | T4 | A2-T4 PolarHBondContact O-N 2.82Š| ||
| 3 | A | 26.9 | Very low | 28.8 | Very low | 99 Ų | 99 | 146.5 Ų | 146.5 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -76 | 111.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | K5 | A3-K5 PolarHBondContact O-N 3.46Š| ||
| 4 | T | 26.5 | Very low | 29 | Very low | 132 Ų | 132 | 150.1 Ų | 150.1 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | -64 | 103.1 | 175.4 | -42.2 | 0 | 0 | 0 | 0 | 109.7 | A2 T6 | A2-T4 PolarHBondContact O-N 2.82Å; T4-T6 PolarHBondContact O-N 3.38Å | ||
| 5 | K | 28.1 | Very low | 29.3 | Very low | 189 Ų | 189 | 144.9 Ų | 144.9 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | trans | -66.6 | 100.5 | 171.5 | -81.4 | -175.4 | 175.5 | 179 | 0 | 109.3 | A3 F7 | A3-K5 PolarHBondContact O-N 3.46Å; K5-F7 PolarHBondContact O-N 3.36Å | ||
| 6 | T | 25.3 | Very low | 30.1 | Very low | 132 Ų | 132 | 143.9 Ų | 143.9 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | -63.8 | 100.7 | 167.9 | 17.2 | 0 | 0 | 0 | 0 | 109.5 | T4 R8 | T4-T6 PolarHBondContact O-N 3.38Å; T6-R8 PolarHBondContact O-N 2.79Å | ||
| 7 | F | 27.4 | Very low | 31.7 | Very low | 198 Ų | 198 | 145.8 Ų | 145.8 | 87% | 0.868 | 78% | 0.784 | S | S | * | * | trans | -63.5 | 94.6 | 168.4 | -108.8 | -90.2 | 0 | 0 | 0 | 109.1 | K5 R9 | K5-F7 PolarHBondContact O-N 3.36Å; F7-R9 PolarHBondContact O-N 3.43Å | ||
| 8 | R | 26.3 | Very low | 33.8 | Very low | 228 Ų | 228 | 139.5 Ų | 139.5 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | trans | -60.8 | 106.6 | 160.2 | -85 | -176.1 | 169.7 | 178.2 | -2.9 | 107.1 | T6 T10 | T6-R8 PolarHBondContact O-N 2.79Å; R8-T10 WeakPolarHBondContact O-CG2 3.19Å; R8-T10 PolarHBondContact O-N 2.85Å; R8-T10 VanDerWaalsContact O-N 3.09Å | ||
| 9 | R | 30.5 | Very low | 36.2 | Very low | 173 Ų | 173 | 134.1 Ų | 134.1 | 65% | 0.653 | 73% | 0.726 | S | S | * | * | trans | -61.6 | 110.2 | 172 | -91.5 | -178.8 | 167.2 | 177.2 | -5.5 | 109.2 | F7 D11 K178 | F7-R9 PolarHBondContact O-N 3.43Å; R9-D11 VanDerWaalsContact C-N 3.26Å; R9-D11 PolarHBondContact O-N 2.77Å; R9-K178 PolarHBondContact NH1-O 3.18Å | ||
| 10 | T | 28.8 | Very low | 38.5 | Very low | 117 Ų | 117 | 127.4 Ų | 127.4 | 72% | 0.718 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | 49.2 | -173.1 | 50.8 | 0 | 0 | 0 | 0 | 113.8 | R8 | R8-T10 WeakPolarHBondContact O-CG2 3.19Å; R8-T10 PolarHBondContact O-N 2.85Å; R8-T10 VanDerWaalsContact O-N 3.09Å |
| 11 | D | 35.5 | Very low | 40.7 | Very low | 83 Ų | 83 | 125.8 Ų | 125.8 | 44% | 0.444 | 68% | 0.676 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.6 | -11.6 | 166.6 | -81.9 | 8 | 0 | 0 | 0 | 111.5 | R9 A13 R109 R307 | R9-D11 VanDerWaalsContact C-N 3.26Å; R9-D11 PolarHBondContact O-N 2.77Å; D11-A13 PolarHBondContact O-N 3.41Å; D11-A13 VanDerWaalsContact O-N 3.07Å; D11-R109 IonicContact OD2-CZ 2.68Å; D11-R109 IonicContact OD2-NH1 2.65Å; D11-R109 PolarHBondContact OD2-NH1 3.36Å; D11-R307 IonicContact OD1-NH2 2.86Å; D11-R307 PolarHBondContact OD1-NH2 3.27Å |
| 12 | S | 30.9 | Very low | 43.3 | Very low | 114 Ų | 114 | 116.6 Ų | 116.6 | 80% | 0.797 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | 17.3 | 173.2 | -167.6 | 0 | 0 | 0 | 0 | 114 | ||
| 13 | A | 27.4 | Very low | 46.2 | Very low | 88 Ų | 88 | 112 Ų | 112 | 73% | 0.727 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -2.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D11 | D11-A13 PolarHBondContact O-N 3.41Å; D11-A13 VanDerWaalsContact O-N 3.07Å |
| 14 | R | 31.8 | Very low | 49.1 | Very low | 197 Ų | 197 | 109.4 Ų | 109.4 | 74% | 0.743 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -118.2 | 134.6 | 159 | -71.7 | -174.8 | 174.3 | 179 | -2.3 | 108.4 | D16 | R14-D16 WeakPolarHBondContact CB-OD2 3.25Å; R14-D16 PolarHBondContact O-N 3.4Å |
| 15 | G | 34.1 | Very low | 52.1 | Low | 72 Ų | 72 | 106.9 Ų | 106.9 | 74% | 0.742 | 55% | 0.55 | S | S | * | * | trans | -75.5 | 29.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | F17 | G15-F17 PolarHBondContact O-N 3.3Š| ||
| 16 | D | 42.2 | Very low | 55.1 | Low | 128 Ų | 128 | 97.9 Ų | 97.9 | 68% | 0.684 | 51% | 0.511 | S | S | * | . | trans | -76.6 | 107.9 | -179.1 | -60.1 | -32.7 | 0 | 0 | 0 | 108 | R14 S18 | R14-D16 WeakPolarHBondContact CB-OD2 3.25Å; R14-D16 PolarHBondContact O-N 3.4Å; D16-S18 PolarHBondContact O-N 3.48Å | ||
| 17 | F | 56.3 | Low | 58.2 | Low | 177 Ų | 177 | 92.9 Ų | 92.9 | 78% | 0.776 | 48% | 0.478 | S | S | * | . | trans | -64.8 | 118.2 | 172.9 | -72.8 | -102.2 | 0 | 0 | 0 | 108.5 | G15 | G15-F17 PolarHBondContact O-N 3.3Š| ||
| 18 | S | 69.7 | Low | 61.3 | Low | 32 Ų | 32 | 89.9 Ų | 89.9 | 22% | 0.224 | 47% | 0.465 | C | S | . | . | trans | -55.9 | 129.8 | 173.2 | 164.2 | 0 | 0 | 0 | 0 | 109.6 | D16 L20 K21 E337 | D16-S18 PolarHBondContact O-N 3.48Å; S18-L20 PolarHBondContact O-N 2.84Å; S18-L20 VanDerWaalsContact O-N 3.12Å; S18-L20 PolarHBondContact OG-N 2.85Å; S18-K21 WeakPolarHBondContact O-CB 3.3Å; S18-K21 PolarHBondContact O-N 3.32Å; S18-E337 PolarHBondContact OG-OE2 3.44Å | ||
| 19 | P | 80.1 | Confident | 64.5 | Low | 37 Ų | 37 | 81.6 Ų | 81.6 | 24% | 0.24 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -29.5 | 176.9 | -27.5 | 33.7 | 0 | 0 | 0 | 113.8 | K21 H22 E337 E338 S341 | P19-K21 PolarHBondContact O-N 3.27Å; P19-K21 VanDerWaalsContact O-N 3.16Å; P19-H22 WeakPolarHBondContact O-CB 3.29Å; P19-H22 PolarHBondContact O-N 2.93Å; P19-E337 HydrophobicContact CB-CB 4.1Å; P19-E337 WeakPolarHBondContact CD-OE2 3.43Å; P19-E337 HydrophobicContact CG-CB 4.14Å; P19-E338 HydrophobicContact CB-CG 4.08Å; P19-E338 HydrophobicContact CG-CG 3.65Å; P19-S341 VanDerWaalsContact O-CB 3.29Å; P19-S341 WeakPolarHBondContact O-CB 3.45Å; P19-S341 PolarHBondContact O-OG 2.92Å |
| 20 | L | 82.2 | Confident | 67.5 | Low | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -57.8 | -31.2 | 177.5 | -59.6 | -178 | 0 | 0 | 0 | 113.2 | S18 H22 F23 V24 M88 L181 D184 L186 E337 I340 | S18-L20 PolarHBondContact O-N 2.84Å; S18-L20 VanDerWaalsContact O-N 3.12Å; S18-L20 PolarHBondContact OG-N 2.85Å; L20-H22 PolarHBondContact O-N 2.82Å; L20-H22 VanDerWaalsContact O-N 3.17Å; L20-F23 PolarHBondContact O-N 3.04Å; L20-F23 VanDerWaalsContact O-N 3.12Å; L20-V24 PolarHBondContact O-N 2.73Å; L20-M88 HydrophobicContact CB-CE 4.14Å; L20-M88 HydrophobicContact CD2-CE 3.9Å; L20-M88 HydrophobicContact CD2-SD 4.35Å; L20-L181 HydrophobicContact CD1-CD2 3.66Å; L20-D184 HydrophobicContact CB-CB 3.63Å; L20-D184 HydrophobicContact CD1-CB 4.45Å; L20-L186 HydrophobicContact CD1-CD2 4.25Å; L20-E337 HydrophobicContact CD1-CG 3.98Å; L20-E337 HydrophobicContact CD2-CB 4.01Å; L20-E337 HydrophobicContact CD2-CG 3.93Å; L20-E337 HydrophobicContact CG-CB 4.07Å; L20-E337 HydrophobicContact CG-CG 3.73Å; L20-I340 HydrophobicContact CD2-CG2 3.46Å; L20-I340 VanDerWaalsContact CD2-CG2 3.46Å |
| 21 | K | 84.6 | Confident | 70.6 | Confident | 93 Ų | 93 | 68.9 Ų | 68.9 | 40% | 0.404 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.2 | -23.8 | 174.9 | -68.1 | -175.4 | 174.9 | -177 | 0 | 113.1 | S18 P19 F23 V24 V25 | S18-K21 WeakPolarHBondContact O-CB 3.3Å; S18-K21 PolarHBondContact O-N 3.32Å; P19-K21 PolarHBondContact O-N 3.27Å; P19-K21 VanDerWaalsContact O-N 3.16Å; K21-F23 VanDerWaalsContact C-N 3.31Å; K21-F23 PolarHBondContact O-N 3.1Å; K21-V24 PolarHBondContact O-N 2.84Å; K21-V25 WeakPolarHBondContact O-CB 3.3Å; K21-V25 VanDerWaalsContact O-CG2 3.28Å; K21-V25 WeakPolarHBondContact O-CG2 3.35Å; K21-V25 PolarHBondContact O-N 2.89Å |
| 22 | H | 86.6 | Confident | 73.4 | Confident | 62 Ų | 62 | 68 Ų | 68 | 29% | 0.287 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -58.3 | -44.8 | 174.8 | -176.6 | 80.6 | 0 | 0 | 0 | 110.9 | P19 L20 A26 Y750 | P19-H22 WeakPolarHBondContact O-CB 3.29Å; P19-H22 PolarHBondContact O-N 2.93Å; L20-H22 PolarHBondContact O-N 2.82Å; L20-H22 VanDerWaalsContact O-N 3.17Å; H22-A26 VanDerWaalsContact O-CB 3.23Å; H22-A26 WeakPolarHBondContact O-CB 3.4Å; H22-A26 PolarHBondContact O-N 3.07Å; H22-Y750 AromaticContact CE1-CD1 3.32Å; H22-Y750 WeakPolarHBondContact CE1-CD1 3.33Å; H22-Y750 AromaticContact CE1-CE1 3.64Å; H22-Y750 AromaticContact ND1-CD1 3.95Å; H22-Y750 AromaticContact ND1-CE1 3.84Å; H22-Y750 AromaticContact NE2-CD1 3.53Å |
| 23 | F | 88.7 | Confident | 76.4 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.7 | -44.7 | 175.6 | 177.9 | -91.4 | 0 | 0 | 0 | 112 | L20 K21 V25 A26 K27 M88 D185 A344 V345 K348 F349 | L20-F23 PolarHBondContact O-N 3.04Å; L20-F23 VanDerWaalsContact O-N 3.12Å; K21-F23 VanDerWaalsContact C-N 3.31Å; K21-F23 PolarHBondContact O-N 3.1Å; F23-V25 PolarHBondContact O-N 2.9Å; F23-A26 PolarHBondContact O-N 3.25Å; F23-K27 HydrophobicContact CE1-CB 4.4Å; F23-K27 HydrophobicContact CE1-CD 4.02Å; F23-K27 VanDerWaalsContact O-CB 3.24Å; F23-K27 WeakPolarHBondContact O-CB 3.26Å; F23-K27 PolarHBondContact O-N 2.95Å; F23-M88 HydrophobicContact CB-CE 3.82Å; F23-M88 HydrophobicContact CB-CG 4.21Å; F23-M88 HydrophobicContact CB-SD 3.55Å; F23-M88 VanDerWaalsContact CB-SD 3.55Å; F23-M88 HydrophobicContact CD1-CE 3.89Å; F23-M88 HydrophobicContact CD1-CG 3.57Å; F23-M88 HydrophobicContact CD1-SD 3.99Å; F23-M88 HydrophobicContact CD2-CG 3.74Å; F23-M88 HydrophobicContact CD2-SD 4.1Å; F23-M88 HydrophobicContact CE1-CG 3.8Å; F23-M88 HydrophobicContact CE2-CG 3.97Å; F23-M88 HydrophobicContact CG-CE 4Å; F23-M88 HydrophobicContact CG-CG 3.55Å; F23-M88 HydrophobicContact CG-SD 3.61Å; F23-M88 HydrophobicContact CZ-CG 4Å; F23-D185 HydrophobicContact CD1-CB 4.49Å; F23-D185 HydrophobicContact CE1-CB 4.25Å; F23-A344 HydrophobicContact CD2-CB 3.75Å; F23-A344 HydrophobicContact CE2-CB 3.84Å; F23-V345 HydrophobicContact CB-CG2 4.13Å; F23-V345 HydrophobicContact CD2-CG2 3.79Å; F23-V345 HydrophobicContact CG-CG2 4.39Å; F23-K348 HydrophobicContact CE2-CD 3.99Å; F23-K348 HydrophobicContact CZ-CD 4.03Å; F23-F349 AromaticContact CD2-CE2 3.99Å; F23-F349 HydrophobicContact CD2-CE2 3.99Å; F23-F349 HydrophobicContact CD2-CZ 4.34Å; F23-F349 AromaticContact CE2-CE2 3.64Å; F23-F349 HydrophobicContact CE2-CE2 3.64Å; F23-F349 AromaticContact CE2-CZ 3.6Å; F23-F349 HydrophobicContact CE2-CZ 3.6Å; F23-F349 HydrophobicContact CZ-CE2 4.24Å; F23-F349 AromaticContact CZ-CZ 3.75Å; F23-F349 HydrophobicContact CZ-CZ 3.75Å |
| 24 | V | 87.9 | Confident | 79.6 | Confident | 45 Ų | 45 | 58.8 Ų | 58.8 | 27% | 0.273 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.1 | -43.6 | -179.7 | -176.3 | 0 | 0 | 0 | 0 | 111.6 | L20 K21 K27 K28 D184 | L20-V24 PolarHBondContact O-N 2.73Å; K21-V24 PolarHBondContact O-N 2.84Å; V24-K27 PolarHBondContact O-N 3.45Å; V24-K28 PolarHBondContact O-N 3.01Å; V24-D184 HydrophobicContact CG2-CB 3.76Å |
| 25 | V | 90.1 | Very high | 82.6 | Confident | 79 Ų | 79 | 54.3 Ų | 54.3 | 48% | 0.479 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.7 | -41 | 177 | 175.2 | 0 | 0 | 0 | 0 | 110.8 | K21 F23 K28 K29 Y750 | K21-V25 WeakPolarHBondContact O-CB 3.3Å; K21-V25 VanDerWaalsContact O-CG2 3.28Å; K21-V25 WeakPolarHBondContact O-CG2 3.35Å; K21-V25 PolarHBondContact O-N 2.89Å; F23-V25 PolarHBondContact O-N 2.9Å; V25-K28 PolarHBondContact O-N 2.8Å; V25-K29 WeakPolarHBondContact O-CB 3.03Å; V25-K29 PolarHBondContact O-N 2.87Å; V25-Y750 WeakPolarHBondContact CG1-OH 3.3Å |
| 26 | A | 90.9 | Very high | 85.5 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.3 | -48.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | H22 F23 K28 K29 I30 V345 F349 F746 Y750 | H22-A26 VanDerWaalsContact O-CB 3.23Å; H22-A26 WeakPolarHBondContact O-CB 3.4Å; H22-A26 PolarHBondContact O-N 3.07Å; F23-A26 PolarHBondContact O-N 3.25Å; A26-K28 VanDerWaalsContact C-N 3.31Å; A26-K28 PolarHBondContact O-N 2.99Å; A26-K29 PolarHBondContact O-N 2.91Å; A26-I30 WeakPolarHBondContact O-CG2 3.49Å; A26-I30 PolarHBondContact O-N 3.42Å; A26-V345 HydrophobicContact CB-CG1 4.42Å; A26-V345 HydrophobicContact CB-CG2 3.77Å; A26-F349 HydrophobicContact CB-CD2 4.49Å; A26-F349 HydrophobicContact CB-CE2 4.24Å; A26-F746 HydrophobicContact CB-CE2 4.12Å; A26-F746 HydrophobicContact CB-CZ 4.33Å; A26-F746 WeakPolarHBondContact O-CE2 3.13Å; A26-Y750 HydrophobicContact CB-CD1 3.53Å; A26-Y750 HydrophobicContact CB-CE1 3.78Å; A26-Y750 HydrophobicContact CB-CG 4.06Å |
| 27 | K | 91 | Very high | 88.1 | Confident | 27 Ų | 27 | 49.1 Ų | 49.1 | 12% | 0.117 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -56.2 | -43.6 | 176.4 | -178.8 | 178.2 | 171.5 | 179.1 | 0 | 111.3 | F23 V24 I30 S31 L83 A84 R86 D185 F349 | F23-K27 HydrophobicContact CE1-CB 4.4Å; F23-K27 HydrophobicContact CE1-CD 4.02Å; F23-K27 VanDerWaalsContact O-CB 3.24Å; F23-K27 WeakPolarHBondContact O-CB 3.26Å; F23-K27 PolarHBondContact O-N 2.95Å; V24-K27 PolarHBondContact O-N 3.45Å; K27-I30 WeakPolarHBondContact O-CG2 3.49Å; K27-S31 VanDerWaalsContact O-CB 3.26Å; K27-S31 WeakPolarHBondContact O-CB 3.26Å; K27-S31 PolarHBondContact O-N 3.36Å; K27-S31 PolarHBondContact O-OG 2.88Å; K27-L83 WeakPolarHBondContact CE-O 3.19Å; K27-A84 WeakPolarHBondContact CE-O 3.49Å; K27-A84 PolarHBondContact NZ-O 2.95Å; K27-R86 VanDerWaalsContact CE-O 3.32Å; K27-R86 WeakPolarHBondContact CE-O 3.47Å; K27-R86 PolarHBondContact NZ-O 2.99Å; K27-D185 WeakPolarHBondContact CD-OD2 3.32Å; K27-D185 IonicContact NZ-OD2 2.68Å; K27-D185 PolarHBondContact NZ-OD2 3.06Å; K27-F349 HydrophobicContact CB-CE2 4.31Å; K27-F349 HydrophobicContact CB-CZ 3.76Å; K27-F349 HydrophobicContact CG-CZ 4.13Å |
| 28 | K | 91.9 | Very high | 89.9 | Confident | 136 Ų | 136 | 41.5 Ų | 41.5 | 59% | 0.591 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -64.4 | -55.1 | 175 | -174 | 176.8 | 177.7 | -177.3 | 0 | 111.2 | V24 V25 A26 I30 S31 D32 | V24-K28 PolarHBondContact O-N 3.01Å; V25-K28 PolarHBondContact O-N 2.8Å; A26-K28 VanDerWaalsContact C-N 3.31Å; A26-K28 PolarHBondContact O-N 2.99Å; K28-I30 VanDerWaalsContact C-N 3.32Å; K28-I30 PolarHBondContact O-N 3.46Å; K28-S31 PolarHBondContact O-N 2.88Å; K28-D32 WeakPolarHBondContact CE-OD2 3.33Å; K28-D32 VanDerWaalsContact O-CG 3.24Å; K28-D32 PolarHBondContact O-N 2.89Å |
| 29 | K | 93.1 | Very high | 91.1 | Very high | 53 Ų | 53 | 43.6 Ų | 43.6 | 23% | 0.23 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56 | -44.8 | -178.4 | -172.1 | 170.5 | 176.1 | 172 | 0 | 111.6 | V25 A26 D32 L33 E745 F746 Y750 | V25-K29 WeakPolarHBondContact O-CB 3.03Å; V25-K29 PolarHBondContact O-N 2.87Å; A26-K29 PolarHBondContact O-N 2.91Å; K29-D32 PolarHBondContact O-N 3.42Å; K29-L33 HydrophobicContact CG-CD1 4.42Å; K29-L33 WeakPolarHBondContact O-CG 3.35Å; K29-L33 PolarHBondContact O-N 3.15Å; K29-E745 IonicContact NZ-OE1 3.48Å; K29-E745 PolarHBondContact NZ-OE1 3.14Å; K29-F746 HydrophobicContact CB-CD2 4.41Å; K29-F746 HydrophobicContact CD-CD2 4.26Å; K29-F746 HydrophobicContact CG-CD2 4.21Å; K29-Y750 HydrophobicContact CD-CE2 3.93Å |
| 30 | I | 93.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.8 | -34.4 | 177.7 | -160.6 | 59 | 0 | 0 | 0 | 112.7 | A26 K27 K28 L33 F34 L83 F349 L743 F746 | A26-I30 WeakPolarHBondContact O-CG2 3.49Å; A26-I30 PolarHBondContact O-N 3.42Å; K27-I30 WeakPolarHBondContact O-CG2 3.49Å; K28-I30 VanDerWaalsContact C-N 3.32Å; K28-I30 PolarHBondContact O-N 3.46Å; I30-L33 HydrophobicContact CD1-CD1 4.2Å; I30-L33 PolarHBondContact O-N 3.24Å; I30-F34 HydrophobicContact CD1-CD2 4.01Å; I30-F34 HydrophobicContact CD1-CE2 3.88Å; I30-F34 HydrophobicContact CG1-CD2 3.92Å; I30-F34 HydrophobicContact CG1-CE2 3.92Å; I30-F34 VanDerWaalsContact O-CD2 3.31Å; I30-F34 WeakPolarHBondContact O-CD2 3.37Å; I30-F34 PolarHBondContact O-N 3.45Å; I30-L83 HydrophobicContact CG2-CD2 4.46Å; I30-F349 HydrophobicContact CG2-CD1 3.92Å; I30-F349 HydrophobicContact CG2-CE1 4.06Å; I30-F349 HydrophobicContact CG2-CG 4.19Å; I30-F349 HydrophobicContact CG2-CZ 4.43Å; I30-L743 HydrophobicContact CD1-CD2 3.8Å; I30-F746 HydrophobicContact CB-CD2 4.47Å; I30-F746 HydrophobicContact CB-CE1 4.31Å; I30-F746 HydrophobicContact CB-CE2 3.87Å; I30-F746 HydrophobicContact CB-CZ 3.78Å; I30-F746 HydrophobicContact CD1-CD1 3.93Å; I30-F746 HydrophobicContact CD1-CE1 3.93Å; I30-F746 HydrophobicContact CD1-CG 4.26Å; I30-F746 HydrophobicContact CD1-CZ 4.27Å; I30-F746 HydrophobicContact CG1-CE1 4.21Å; I30-F746 HydrophobicContact CG1-CZ 4.17Å; I30-F746 HydrophobicContact CG2-CZ 4.41Å |
| 31 | S | 93.4 | Very high | 92.5 | Very high | 23 Ų | 23 | 42.1 Ų | 42.1 | 16% | 0.161 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.4 | -43.1 | 175.4 | -59.4 | 0 | 0 | 0 | 0 | 111.7 | K27 K28 L33 F34 E35 | K27-S31 VanDerWaalsContact O-CB 3.26Å; K27-S31 WeakPolarHBondContact O-CB 3.26Å; K27-S31 PolarHBondContact O-N 3.36Å; K27-S31 PolarHBondContact O-OG 2.88Å; K28-S31 PolarHBondContact O-N 2.88Å; S31-L33 VanDerWaalsContact C-N 3.33Å; S31-L33 PolarHBondContact O-N 2.87Å; S31-F34 PolarHBondContact O-N 3.41Å; S31-E35 PolarHBondContact O-N 3.41Å |
| 32 | D | 94.4 | Very high | 92.9 | Very high | 66 Ų | 66 | 43.1 Ų | 43.1 | 35% | 0.353 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.9 | -39.7 | 175.9 | -61.8 | -11.9 | 0 | 0 | 0 | 110.6 | K28 K29 E35 Q36 | K28-D32 WeakPolarHBondContact CE-OD2 3.33Å; K28-D32 VanDerWaalsContact O-CG 3.24Å; K28-D32 PolarHBondContact O-N 2.89Å; K29-D32 PolarHBondContact O-N 3.42Å; D32-E35 PolarHBondContact O-N 2.91Å; D32-Q36 WeakPolarHBondContact O-CG 3.44Å; D32-Q36 PolarHBondContact O-N 3.03Å; D32-Q36 VanDerWaalsContact O-N 3.07Å |
| 33 | L | 95.1 | Very high | 93.3 | Very high | 8 Ų | 8 | 43.4 Ų | 43.4 | 4% | 0.042 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.7 | -42.7 | 173.8 | -71.4 | 173.6 | 0 | 0 | 0 | 112.7 | K29 I30 S31 E35 Q36 L37 Q742 L743 F746 | K29-L33 HydrophobicContact CG-CD1 4.42Å; K29-L33 WeakPolarHBondContact O-CG 3.35Å; K29-L33 PolarHBondContact O-N 3.15Å; I30-L33 HydrophobicContact CD1-CD1 4.2Å; I30-L33 PolarHBondContact O-N 3.24Å; S31-L33 VanDerWaalsContact C-N 3.33Å; S31-L33 PolarHBondContact O-N 2.87Å; L33-E35 VanDerWaalsContact C-N 3.29Å; L33-E35 PolarHBondContact O-N 3.42Å; L33-Q36 PolarHBondContact O-N 3.39Å; L33-L37 VanDerWaalsContact O-CB 3.27Å; L33-L37 WeakPolarHBondContact O-CB 3.37Å; L33-L37 PolarHBondContact O-N 3.19Å; L33-Q742 HydrophobicContact CD2-CB 3.61Å; L33-Q742 HydrophobicContact CD2-CG 4.4Å; L33-L743 HydrophobicContact CD1-CD2 4.08Å; L33-F746 HydrophobicContact CD1-CB 4.16Å |
| 34 | F | 94.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.8 | -29.3 | 176.8 | -94.2 | -101 | 0 | 0 | 0 | 112.7 | I30 S31 L38 L76 I79 L83 H352 A356 | I30-F34 HydrophobicContact CD1-CD2 4.01Å; I30-F34 HydrophobicContact CD1-CE2 3.88Å; I30-F34 HydrophobicContact CG1-CD2 3.92Å; I30-F34 HydrophobicContact CG1-CE2 3.92Å; I30-F34 VanDerWaalsContact O-CD2 3.31Å; I30-F34 WeakPolarHBondContact O-CD2 3.37Å; I30-F34 PolarHBondContact O-N 3.45Å; S31-F34 PolarHBondContact O-N 3.41Å; F34-L38 VanDerWaalsContact O-CB 3.27Å; F34-L38 WeakPolarHBondContact O-CB 3.19Å; F34-L38 PolarHBondContact O-N 2.91Å; F34-L76 HydrophobicContact CD1-CD2 3.9Å; F34-L76 HydrophobicContact CE1-CD2 3.73Å; F34-I79 HydrophobicContact CD1-CB 4.27Å; F34-I79 HydrophobicContact CD1-CG2 3.85Å; F34-I79 HydrophobicContact CE1-CB 3.84Å; F34-I79 HydrophobicContact CE1-CD1 4.26Å; F34-I79 HydrophobicContact CE1-CG2 3.26Å; F34-I79 HydrophobicContact CZ-CG2 3.74Å; F34-L83 HydrophobicContact CB-CD1 4.23Å; F34-L83 HydrophobicContact CD1-CD1 4.08Å; F34-L83 HydrophobicContact CD2-CD1 3.61Å; F34-L83 HydrophobicContact CE1-CD1 4.34Å; F34-L83 HydrophobicContact CE2-CD1 3.87Å; F34-L83 HydrophobicContact CG-CD1 3.69Å; F34-L83 HydrophobicContact CZ-CD1 4.22Å; F34-H352 HydrophobicContact CE2-CB 4.5Å; F34-H352 HydrophobicContact CZ-CB 4Å; F34-H352 WeakPolarHBondContact CZ-O 3.41Å; F34-A356 HydrophobicContact CE1-CB 4.33Å; F34-A356 HydrophobicContact CE2-CB 4.05Å; F34-A356 HydrophobicContact CZ-CB 3.69Å |
| 35 | E | 94.8 | Very high | 93.8 | Very high | 103 Ų | 103 | 41.5 Ų | 41.5 | 48% | 0.481 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -68.8 | -46.7 | 171.7 | 178.6 | 150.6 | -115.9 | 0 | 0 | 112.2 | S31 D32 L33 L37 L38 S39 K80 | S31-E35 PolarHBondContact O-N 3.41Å; D32-E35 PolarHBondContact O-N 2.91Å; L33-E35 VanDerWaalsContact C-N 3.29Å; L33-E35 PolarHBondContact O-N 3.42Å; E35-L37 VanDerWaalsContact C-N 3.35Å; E35-L37 PolarHBondContact O-N 3.22Å; E35-L38 PolarHBondContact O-N 3Å; E35-S39 PolarHBondContact O-N 3.42Å; E35-K80 VanDerWaalsContact CD-NZ 3.26Å; E35-K80 IonicContact OE1-NZ 3.68Å; E35-K80 PolarHBondContact OE1-NZ 3.45Å; E35-K80 IonicContact OE2-NZ 2.74Å |
| 36 | Q | 95.3 | Very high | 93.8 | Very high | 88 Ų | 88 | 44 Ų | 44 | 41% | 0.411 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.2 | -43.6 | 174.2 | -68.1 | 174.4 | 55.6 | 0 | 0 | 111.7 | D32 L33 S39 Y40 L739 | D32-Q36 WeakPolarHBondContact O-CG 3.44Å; D32-Q36 PolarHBondContact O-N 3.03Å; D32-Q36 VanDerWaalsContact O-N 3.07Å; L33-Q36 PolarHBondContact O-N 3.39Å; Q36-S39 WeakPolarHBondContact O-CB 3.39Å; Q36-S39 PolarHBondContact O-N 3.34Å; Q36-Y40 WeakPolarHBondContact O-CB 3.46Å; Q36-Y40 PolarHBondContact O-N 3.19Å; Q36-L739 HydrophobicContact CB-CD2 3.83Å |
| 37 | L | 95.3 | Very high | 93.9 | Very high | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.4 | -42.6 | 176.4 | 178.9 | 55.6 | 0 | 0 | 0 | 112.1 | L33 E35 S39 Y40 V41 L76 A356 I360 L739 | L33-L37 VanDerWaalsContact O-CB 3.27Å; L33-L37 WeakPolarHBondContact O-CB 3.37Å; L33-L37 PolarHBondContact O-N 3.19Å; E35-L37 VanDerWaalsContact C-N 3.35Å; E35-L37 PolarHBondContact O-N 3.22Å; L37-S39 VanDerWaalsContact C-N 3.32Å; L37-S39 PolarHBondContact O-N 3.02Å; L37-Y40 HydrophobicContact CD1-CD1 4.1Å; L37-Y40 PolarHBondContact O-N 2.99Å; L37-V41 HydrophobicContact CD1-CG2 4.09Å; L37-V41 WeakPolarHBondContact O-CG2 3.38Å; L37-V41 PolarHBondContact O-N 2.88Å; L37-L76 HydrophobicContact CD1-CD1 4.49Å; L37-L76 HydrophobicContact CD2-CD1 4.24Å; L37-L76 HydrophobicContact CD2-CD2 3.65Å; L37-L76 HydrophobicContact CG-CD1 3.82Å; L37-L76 HydrophobicContact CG-CD2 4.1Å; L37-A356 HydrophobicContact CD2-CB 3.79Å; L37-I360 HydrophobicContact CD1-CD1 3.87Å; L37-I360 HydrophobicContact CD1-CG1 3.4Å; L37-I360 VanDerWaalsContact CD1-CG1 3.4Å; L37-I360 HydrophobicContact CD2-CD1 4.21Å; L37-I360 HydrophobicContact CD2-CG1 4.23Å; L37-I360 HydrophobicContact CG-CG1 4.48Å; L37-L739 HydrophobicContact CD1-CD1 4.21Å |
| 38 | L | 95.2 | Very high | 93.8 | Very high | 17 Ų | 17 | 44 Ų | 44 | 9% | 0.089 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.3 | -38.6 | 174.6 | -179 | 62.5 | 0 | 0 | 0 | 111.8 | F34 E35 K42 A73 L76 A77 K80 | F34-L38 VanDerWaalsContact O-CB 3.27Å; F34-L38 WeakPolarHBondContact O-CB 3.19Å; F34-L38 PolarHBondContact O-N 2.91Å; E35-L38 PolarHBondContact O-N 3Å; L38-K42 HydrophobicContact CG-CD 4.44Å; L38-K42 WeakPolarHBondContact O-CB 3.3Å; L38-K42 VanDerWaalsContact O-CG 3.31Å; L38-K42 WeakPolarHBondContact O-CG 3.41Å; L38-K42 PolarHBondContact O-N 2.87Å; L38-K42 VanDerWaalsContact O-N 3.11Å; L38-A73 HydrophobicContact CD1-CB 4.15Å; L38-A73 VanDerWaalsContact CD1-O 3.25Å; L38-A73 WeakPolarHBondContact CD1-O 3.49Å; L38-L76 HydrophobicContact CD1-CB 4.07Å; L38-A77 HydrophobicContact CD1-CB 4.45Å; L38-A77 HydrophobicContact CD2-CB 4.36Å; L38-K80 HydrophobicContact CD2-CD 4.43Å |
| 39 | S | 95.6 | Very high | 93.7 | Very high | 76 Ų | 76 | 42.3 Ų | 42.3 | 53% | 0.531 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.6 | -45.8 | 174.2 | -165.8 | 0 | 0 | 0 | 0 | 111.6 | E35 Q36 L37 K42 E43 | E35-S39 PolarHBondContact O-N 3.42Å; Q36-S39 WeakPolarHBondContact O-CB 3.39Å; Q36-S39 PolarHBondContact O-N 3.34Å; L37-S39 VanDerWaalsContact C-N 3.32Å; L37-S39 PolarHBondContact O-N 3.02Å; S39-K42 PolarHBondContact O-N 3.44Å; S39-E43 WeakPolarHBondContact O-CB 3.34Å; S39-E43 PolarHBondContact O-N 3.29Å |
| 40 | Y | 95.4 | Very high | 93.4 | Very high | 6 Ų | 6 | 44.5 Ų | 44.5 | 2% | 0.024 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.5 | -45.1 | 177.9 | 164.9 | -107.4 | 0 | 0 | 0 | 112.9 | Q36 L37 K42 E43 T44 V363 L732 K735 A736 L739 | Q36-Y40 WeakPolarHBondContact O-CB 3.46Å; Q36-Y40 PolarHBondContact O-N 3.19Å; L37-Y40 HydrophobicContact CD1-CD1 4.1Å; L37-Y40 PolarHBondContact O-N 2.99Å; Y40-K42 VanDerWaalsContact C-N 3.33Å; Y40-K42 PolarHBondContact O-N 3.2Å; Y40-E43 PolarHBondContact O-N 2.93Å; Y40-T44 WeakPolarHBondContact CE2-OG1 3.42Å; Y40-T44 VanDerWaalsContact O-CB 3.31Å; Y40-T44 WeakPolarHBondContact O-CB 3.42Å; Y40-T44 PolarHBondContact O-N 3.49Å; Y40-T44 PolarHBondContact O-OG1 2.89Å; Y40-V363 HydrophobicContact CE1-CB 4.42Å; Y40-V363 HydrophobicContact CE1-CG1 3.83Å; Y40-L732 HydrophobicContact CD2-CD2 4.22Å; Y40-L732 HydrophobicContact CE2-CB 4.06Å; Y40-L732 HydrophobicContact CE2-CD2 3.98Å; Y40-L732 WeakPolarHBondContact CE2-O 3.41Å; Y40-L732 PolarHBondContact OH-O 3.12Å; Y40-K735 HydrophobicContact CD2-CB 3.93Å; Y40-K735 HydrophobicContact CD2-CD 4.42Å; Y40-K735 HydrophobicContact CE2-CB 4.17Å; Y40-A736 HydrophobicContact CE1-CB 4.14Å; Y40-A736 HydrophobicContact CE2-CB 4.41Å; Y40-L739 HydrophobicContact CD1-CD1 4.02Å; Y40-L739 HydrophobicContact CG-CD1 3.9Å |
| 41 | V | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.7 | -33.6 | 179.3 | 178.6 | 0 | 0 | 0 | 0 | 111.2 | L37 T44 S45 I69 A73 L76 I359 V363 | L37-V41 HydrophobicContact CD1-CG2 4.09Å; L37-V41 WeakPolarHBondContact O-CG2 3.38Å; L37-V41 PolarHBondContact O-N 2.88Å; V41-T44 PolarHBondContact O-N 2.88Å; V41-S45 PolarHBondContact O-N 3.32Å; V41-I69 HydrophobicContact CG1-CG2 3.75Å; V41-I69 WeakPolarHBondContact CG1-O 3.35Å; V41-I69 WeakPolarHBondContact O-CG2 3.23Å; V41-A73 HydrophobicContact CG1-CB 3.96Å; V41-L76 HydrophobicContact CB-CD1 4.24Å; V41-L76 HydrophobicContact CG2-CD1 3.75Å; V41-I359 HydrophobicContact CG2-CG2 4.49Å; V41-V363 HydrophobicContact CG2-CG2 4.34Å |
| 42 | K | 94.2 | Very high | 92.5 | Very high | 114 Ų | 114 | 45.3 Ų | 45.3 | 50% | 0.496 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -67.2 | -48.5 | 172.8 | -76 | 178.6 | 177 | -172.5 | 0 | 112.7 | L38 S39 Y40 T44 S45 E46 A73 | L38-K42 HydrophobicContact CG-CD 4.44Å; L38-K42 WeakPolarHBondContact O-CB 3.3Å; L38-K42 VanDerWaalsContact O-CG 3.31Å; L38-K42 WeakPolarHBondContact O-CG 3.41Å; L38-K42 PolarHBondContact O-N 2.87Å; L38-K42 VanDerWaalsContact O-N 3.11Å; S39-K42 PolarHBondContact O-N 3.44Å; Y40-K42 VanDerWaalsContact C-N 3.33Å; Y40-K42 PolarHBondContact O-N 3.2Å; K42-T44 PolarHBondContact O-N 3.36Å; K42-S45 WeakPolarHBondContact O-CB 3.21Å; K42-S45 PolarHBondContact O-N 3.04Å; K42-S45 VanDerWaalsContact O-N 3.07Å; K42-E46 PolarHBondContact O-N 2.92Å; K42-A73 HydrophobicContact CG-CB 4.41Å |
| 43 | E | 94.2 | Very high | 91.5 | Very high | 68 Ų | 68 | 45.2 Ų | 45.2 | 32% | 0.318 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -55.8 | -41.1 | 174.2 | -173 | -172.6 | 163.3 | 0 | 0 | 111 | S39 Y40 E46 F47 L732 K735 | S39-E43 WeakPolarHBondContact O-CB 3.34Å; S39-E43 PolarHBondContact O-N 3.29Å; Y40-E43 PolarHBondContact O-N 2.93Å; E43-E46 PolarHBondContact O-N 3.31Å; E43-F47 WeakPolarHBondContact O-CB 3.49Å; E43-F47 PolarHBondContact O-N 3.14Å; E43-L732 HydrophobicContact CG-CD2 3.98Å; E43-K735 IonicContact OE1-NZ 3.16Å; E43-K735 PolarHBondContact OE1-NZ 3.26Å; E43-K735 IonicContact OE2-NZ 3.72Å; E43-K735 PolarHBondContact OE2-NZ 3.38Å |
| 44 | T | 93.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.9 | -39.7 | 175.4 | -60.9 | 0 | 0 | 0 | 0 | 112.6 | Y40 V41 K42 F47 V48 I69 V363 M367 | Y40-T44 WeakPolarHBondContact CE2-OG1 3.42Å; Y40-T44 VanDerWaalsContact O-CB 3.31Å; Y40-T44 WeakPolarHBondContact O-CB 3.42Å; Y40-T44 PolarHBondContact O-N 3.49Å; Y40-T44 PolarHBondContact O-OG1 2.89Å; V41-T44 PolarHBondContact O-N 2.88Å; K42-T44 PolarHBondContact O-N 3.36Å; T44-F47 PolarHBondContact O-N 2.91Å; T44-V48 WeakPolarHBondContact O-CG2 3.28Å; T44-V48 PolarHBondContact O-N 3.13Å; T44-I69 HydrophobicContact CG2-CD1 4.09Å; T44-I69 HydrophobicContact CG2-CG2 4.27Å; T44-V363 HydrophobicContact CG2-CG1 3.58Å; T44-M367 HydrophobicContact CG2-CE 3.34Å |
| 45 | S | 93 | Very high | 89.5 | Confident | 5 Ų | 5 | 56.4 Ų | 56.4 | 4% | 0.035 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.3 | -43 | 175.9 | -169.9 | 0 | 0 | 0 | 0 | 112.1 | V41 K42 V48 E49 | V41-S45 PolarHBondContact O-N 3.32Å; K42-S45 WeakPolarHBondContact O-CB 3.21Å; K42-S45 PolarHBondContact O-N 3.04Å; K42-S45 VanDerWaalsContact O-N 3.07Å; S45-V48 PolarHBondContact O-N 3.49Å; S45-E49 PolarHBondContact O-N 3.5Å |
| 46 | E | 91.6 | Very high | 88 | Confident | 132 Ų | 132 | 53.9 Ų | 53.9 | 62% | 0.617 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -64.9 | -42.6 | 176.8 | -175 | 174.3 | -172.4 | 0 | 0 | 111.7 | K42 E43 V48 E49 V50 | K42-E46 PolarHBondContact O-N 2.92Å; E43-E46 PolarHBondContact O-N 3.31Å; E46-V48 PolarHBondContact O-N 2.9Å; E46-E49 WeakPolarHBondContact O-CB 3.22Å; E46-E49 PolarHBondContact O-N 3.4Å; E46-V50 WeakPolarHBondContact O-CG2 3.23Å; E46-V50 PolarHBondContact O-N 2.76Å |
| 47 | F | 91.6 | Very high | 86.7 | Confident | 26 Ų | 26 | 50.2 Ų | 50.2 | 11% | 0.114 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.4 | -45.2 | 173.6 | 173.5 | -111.1 | 0 | 0 | 0 | 112.6 | E43 T44 E49 V50 I51 M367 I370 V725 C728 L732 | E43-F47 WeakPolarHBondContact O-CB 3.49Å; E43-F47 PolarHBondContact O-N 3.14Å; T44-F47 PolarHBondContact O-N 2.91Å; F47-E49 VanDerWaalsContact C-N 3.33Å; F47-E49 PolarHBondContact O-N 2.92Å; F47-V50 PolarHBondContact O-N 2.83Å; F47-I51 HydrophobicContact CD1-CD1 4.05Å; F47-I51 HydrophobicContact CD2-CD1 4.26Å; F47-I51 HydrophobicContact CE1-CD1 3.57Å; F47-I51 HydrophobicContact CE2-CD1 3.78Å; F47-I51 HydrophobicContact CE2-CG1 4.45Å; F47-I51 HydrophobicContact CG-CD1 4.4Å; F47-I51 HydrophobicContact CZ-CD1 3.44Å; F47-I51 VanDerWaalsContact CZ-CD1 3.44Å; F47-I51 WeakPolarHBondContact O-CG1 3.4Å; F47-I51 PolarHBondContact O-N 2.96Å; F47-M367 HydrophobicContact CD1-CE 3.97Å; F47-M367 HydrophobicContact CD1-SD 4.1Å; F47-M367 HydrophobicContact CE1-CE 4.18Å; F47-M367 HydrophobicContact CE1-SD 3.68Å; F47-I370 HydrophobicContact CE1-CG2 4.33Å; F47-V725 HydrophobicContact CZ-CG1 4.17Å; F47-V725 WeakPolarHBondContact CZ-O 3.43Å; F47-C728 HydrophobicContact CD2-CB 4.12Å; F47-C728 VanDerWaalsContact CD2-SG 3.54Å; F47-C728 HydrophobicContact CE2-CB 3.48Å; F47-C728 VanDerWaalsContact CE2-CB 3.48Å; F47-C728 VanDerWaalsContact CE2-SG 3.57Å; F47-C728 HydrophobicContact CZ-CB 3.97Å; F47-L732 HydrophobicContact CB-CD1 3.99Å; F47-L732 HydrophobicContact CD1-CD1 3.56Å; F47-L732 HydrophobicContact CE1-CD1 4.11Å; F47-L732 HydrophobicContact CG-CD1 3.8Å |
| 48 | V | 90.1 | Very high | 85.2 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.6 | -37 | 176.1 | 168.6 | 0 | 0 | 0 | 0 | 111.7 | T44 S45 E46 I51 S52 A61 K66 I69 I370 | T44-V48 WeakPolarHBondContact O-CG2 3.28Å; T44-V48 PolarHBondContact O-N 3.13Å; S45-V48 PolarHBondContact O-N 3.49Å; E46-V48 PolarHBondContact O-N 2.9Å; V48-I51 PolarHBondContact O-N 3.25Å; V48-S52 VanDerWaalsContact O-CB 3.31Å; V48-S52 WeakPolarHBondContact O-CB 3.47Å; V48-S52 PolarHBondContact O-N 3.22Å; V48-S52 PolarHBondContact O-OG 2.54Å; V48-A61 HydrophobicContact CG1-CB 4.13Å; V48-K66 HydrophobicContact CG1-CB 3.9Å; V48-K66 HydrophobicContact CG1-CG 4.44Å; V48-I69 HydrophobicContact CB-CD1 4.38Å; V48-I69 HydrophobicContact CG2-CD1 3.76Å; V48-I370 HydrophobicContact CG2-CD1 3.72Å |
| 49 | E | 88.5 | Confident | 84 | Confident | 100 Ų | 100 | 56.3 Ų | 56.3 | 47% | 0.467 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.6 | -51.3 | 173.1 | 171.1 | 145.9 | -129.1 | 0 | 0 | 112.1 | S45 E46 F47 I51 S52 G53 K66 | S45-E49 PolarHBondContact O-N 3.5Å; E46-E49 WeakPolarHBondContact O-CB 3.22Å; E46-E49 PolarHBondContact O-N 3.4Å; F47-E49 VanDerWaalsContact C-N 3.33Å; F47-E49 PolarHBondContact O-N 2.92Å; E49-I51 VanDerWaalsContact C-N 3.27Å; E49-I51 PolarHBondContact O-N 3.42Å; E49-S52 PolarHBondContact O-N 3.35Å; E49-S52 VanDerWaalsContact O-N 3.13Å; E49-S52 PolarHBondContact O-OG 2.79Å; E49-G53 PolarHBondContact O-N 3.49Å; E49-K66 HydrophobicContact CB-CD 4.21Å; E49-K66 IonicContact OE1-NZ 3.15Å; E49-K66 PolarHBondContact OE1-NZ 3.19Å; E49-K66 VanDerWaalsContact OE2-CE 3.29Å; E49-K66 WeakPolarHBondContact OE2-CE 3.41Å; E49-K66 IonicContact OE2-NZ 3.71Å; E49-K66 PolarHBondContact OE2-NZ 2.89Å |
| 50 | V | 86.8 | Confident | 83.2 | Confident | 99 Ų | 99 | 52.8 Ų | 52.8 | 60% | 0.6 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -57.8 | -38.5 | 179.1 | 171.6 | 0 | 0 | 0 | 0 | 112.1 | E46 F47 | E46-V50 WeakPolarHBondContact O-CG2 3.23Å; E46-V50 PolarHBondContact O-N 2.76Å; F47-V50 PolarHBondContact O-N 2.83Å |
| 51 | I | 86.6 | Confident | 82.5 | Confident | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.015 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -69.3 | -48.7 | 175.1 | -65.9 | 168.8 | 0 | 0 | 0 | 110.7 | F47 V48 E49 G53 N54 I60 A61 I370 V725 | F47-I51 HydrophobicContact CD1-CD1 4.05Å; F47-I51 HydrophobicContact CD2-CD1 4.26Å; F47-I51 HydrophobicContact CE1-CD1 3.57Å; F47-I51 HydrophobicContact CE2-CD1 3.78Å; F47-I51 HydrophobicContact CE2-CG1 4.45Å; F47-I51 HydrophobicContact CG-CD1 4.4Å; F47-I51 HydrophobicContact CZ-CD1 3.44Å; F47-I51 VanDerWaalsContact CZ-CD1 3.44Å; F47-I51 WeakPolarHBondContact O-CG1 3.4Å; F47-I51 PolarHBondContact O-N 2.96Å; V48-I51 PolarHBondContact O-N 3.25Å; E49-I51 VanDerWaalsContact C-N 3.27Å; E49-I51 PolarHBondContact O-N 3.42Å; I51-G53 PolarHBondContact O-N 3.39Å; I51-N54 PolarHBondContact O-N 3.44Å; I51-N54 VanDerWaalsContact O-N 3.13Å; I51-I60 HydrophobicContact CG2-CB 3.83Å; I51-I60 HydrophobicContact CG2-CG2 4.22Å; I51-A61 HydrophobicContact CB-CB 4.26Å; I51-A61 HydrophobicContact CG2-CB 3.78Å; I51-I370 HydrophobicContact CD1-CG2 4.09Å; I51-V725 HydrophobicContact CD1-CG1 3.75Å; I51-V725 HydrophobicContact CD1-CG2 4.08Å; I51-V725 HydrophobicContact CG1-CG1 4.47Å; I51-V725 HydrophobicContact CG1-CG2 3.97Å |
| 52 | S | 80.9 | Confident | 81.8 | Confident | 37 Ų | 37 | 55.6 Ų | 55.6 | 26% | 0.259 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.1 | -23.4 | -175.6 | 73.7 | 0 | 0 | 0 | 0 | 114.2 | V48 E49 | V48-S52 VanDerWaalsContact O-CB 3.31Å; V48-S52 WeakPolarHBondContact O-CB 3.47Å; V48-S52 PolarHBondContact O-N 3.22Å; V48-S52 PolarHBondContact O-OG 2.54Å; E49-S52 PolarHBondContact O-N 3.35Å; E49-S52 VanDerWaalsContact O-N 3.13Å; E49-S52 PolarHBondContact O-OG 2.79Å |
| 53 | G | 74.4 | Confident | 81.3 | Confident | 64 Ų | 64 | 57.7 Ų | 57.7 | 66% | 0.66 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -5.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | E49 I51 | E49-G53 PolarHBondContact O-N 3.49Å; I51-G53 PolarHBondContact O-N 3.39Å |
| 54 | N | 78.9 | Confident | 80.8 | Confident | 52 Ų | 52 | 60.4 Ų | 60.4 | 28% | 0.278 | 35% | 0.345 | S | S | . | . | trans | -102.9 | 92.8 | -171.5 | -169.7 | -12 | 0 | 0 | 0 | 111.4 | I51 A56 L57 | I51-N54 PolarHBondContact O-N 3.44Å; I51-N54 VanDerWaalsContact O-N 3.13Å; N54-A56 PolarHBondContact O-N 3.05Å; N54-A56 PolarHBondContact OD1-N 3.36Å; N54-L57 HydrophobicContact CB-CD1 4.06Å; N54-L57 HydrophobicContact CB-CG 4.4Å; N54-L57 WeakPolarHBondContact ND2-CD1 3.41Å; N54-L57 PolarHBondContact O-N 3.35Å | ||
| 55 | E | 69.6 | Low | 80.5 | Confident | 192 Ų | 192 | 62 Ų | 62 | 90% | 0.897 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -52 | -31.6 | -178 | -62.7 | -175.6 | 158.2 | 0 | 0 | 113.5 | L57 G58 | E55-L57 VanDerWaalsContact C-N 3.27Å; E55-L57 PolarHBondContact O-N 3.31Å; E55-G58 PolarHBondContact O-N 2.91Å; E55-G58 VanDerWaalsContact O-N 3.16Å |
| 56 | A | 63.6 | Low | 80.3 | Confident | 49 Ų | 49 | 64.3 Ų | 64.3 | 41% | 0.405 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -71 | -15.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | N54 | N54-A56 PolarHBondContact O-N 3.05Å; N54-A56 PolarHBondContact OD1-N 3.36Å |
| 57 | L | 66.9 | Low | 80.2 | Confident | 11 Ų | 11 | 62.4 Ų | 62.4 | 6% | 0.058 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -92.1 | -14.5 | 173.5 | -70.9 | 174 | 0 | 0 | 0 | 112.2 | N54 E55 I60 K377 K721 L722 V725 | N54-L57 HydrophobicContact CB-CD1 4.06Å; N54-L57 HydrophobicContact CB-CG 4.4Å; N54-L57 WeakPolarHBondContact ND2-CD1 3.41Å; N54-L57 PolarHBondContact O-N 3.35Å; E55-L57 VanDerWaalsContact C-N 3.27Å; E55-L57 PolarHBondContact O-N 3.31Å; L57-I60 HydrophobicContact CB-CD1 3.81Å; L57-I60 HydrophobicContact CB-CG1 4.42Å; L57-I60 HydrophobicContact CD2-CD1 4.04Å; L57-I60 HydrophobicContact CG-CD1 4.37Å; L57-I60 WeakPolarHBondContact O-CG1 3.42Å; L57-K377 PolarHBondContact O-NZ 3.21Å; L57-K377 VanDerWaalsContact O-NZ 3.09Å; L57-K721 HydrophobicContact CD2-CB 4Å; L57-L722 HydrophobicContact CD2-CD2 3.73Å; L57-L722 HydrophobicContact CD2-CG 3.84Å; L57-V725 HydrophobicContact CD1-CG2 4.08Å |
| 58 | G | 64.8 | Low | 80.2 | Confident | 38 Ų | 38 | 64.7 Ų | 64.7 | 39% | 0.392 | 37% | 0.37 | S | S | . | . | trans | 60.9 | -166.2 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E55 I60 | E55-G58 PolarHBondContact O-N 2.91Å; E55-G58 VanDerWaalsContact O-N 3.16Å; G58-I60 PolarHBondContact O-N 3.42Å | ||
| 59 | T | 69.9 | Low | 80.3 | Confident | 110 Ų | 110 | 64.7 Ų | 64.7 | 68% | 0.675 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -69.4 | 87.7 | 173.4 | 45.2 | 0 | 0 | 0 | 0 | 110.5 | E373 K377 | T59-E373 VanDerWaalsContact O-OE2 3.07Å; T59-K377 PolarHBondContact O-NZ 2.92Å |
| 60 | I | 78.9 | Confident | 80.6 | Confident | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.01 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -95.5 | -31.8 | 161.9 | -60.3 | 178.7 | 0 | 0 | 0 | 110.1 | I51 L57 G58 I370 E373 A374 K377 L722 | I51-I60 HydrophobicContact CG2-CB 3.83Å; I51-I60 HydrophobicContact CG2-CG2 4.22Å; L57-I60 HydrophobicContact CB-CD1 3.81Å; L57-I60 HydrophobicContact CB-CG1 4.42Å; L57-I60 HydrophobicContact CD2-CD1 4.04Å; L57-I60 HydrophobicContact CG-CD1 4.37Å; L57-I60 WeakPolarHBondContact O-CG1 3.42Å; G58-I60 PolarHBondContact O-N 3.42Å; I60-I370 HydrophobicContact CG2-CG2 4.05Å; I60-E373 WeakPolarHBondContact CA-OE2 3Å; I60-E373 HydrophobicContact CG2-CB 4.28Å; I60-A374 HydrophobicContact CD1-CB 4.47Å; I60-A374 HydrophobicContact CG2-CB 4.27Å; I60-K377 HydrophobicContact CD1-CD 4.19Å; I60-K377 HydrophobicContact CG1-CD 3.81Å; I60-L722 HydrophobicContact CD1-CD2 3.45Å; I60-L722 VanDerWaalsContact CD1-CD2 3.45Å |
| 61 | A | 78.8 | Confident | 80.9 | Confident | 6 Ų | 6 | 61.3 Ų | 61.3 | 5% | 0.05 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -128.6 | 138.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | V48 I51 I370 | V48-A61 HydrophobicContact CG1-CB 4.13Å; I51-A61 HydrophobicContact CB-CB 4.26Å; I51-A61 HydrophobicContact CG2-CB 3.78Å; A61-I370 HydrophobicContact CB-CD1 4.2Å; A61-I370 HydrophobicContact CB-CG1 4.39Å |
| 62 | T | 81.9 | Confident | 81.3 | Confident | 59 Ų | 59 | 62.6 Ų | 62.6 | 36% | 0.362 | 36% | 0.357 | S | S | . | . | trans | -92.4 | 153.1 | 176 | 58.1 | 0 | 0 | 0 | 0 | 111 | D64 Q65 K66 | T62-D64 PolarHBondContact O-N 3.21Å; T62-Q65 PolarHBondContact O-N 3.01Å; T62-Q65 WeakPolarHBondContact OG1-CG 3.48Å; T62-Q65 PolarHBondContact OG1-N 3.08Å; T62-Q65 PolarHBondContact OG1-OE1 3.01Å; T62-K66 PolarHBondContact O-N 2.72Å | ||
| 63 | K | 82.3 | Confident | 81.9 | Confident | 158 Ų | 158 | 60.9 Ų | 60.9 | 69% | 0.687 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -62.4 | -28.6 | 173.7 | -67.2 | -176.7 | 179.4 | 178.9 | 0 | 111.6 | K66 V67 | K63-K66 WeakPolarHBondContact O-CB 3.27Å; K63-K66 PolarHBondContact O-N 2.99Å; K63-V67 WeakPolarHBondContact O-CG2 3.28Å; K63-V67 PolarHBondContact O-N 3.07Å; K63-V67 VanDerWaalsContact O-N 3.1Å |
| 64 | D | 85.2 | Confident | 82.8 | Confident | 125 Ų | 125 | 62 Ų | 62 | 67% | 0.668 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -66.3 | -41.7 | 177.1 | -55.7 | -31.6 | 0 | 0 | 0 | 111.9 | T62 K66 V67 E68 | T62-D64 PolarHBondContact O-N 3.21Å; D64-K66 VanDerWaalsContact C-N 3.3Å; D64-K66 PolarHBondContact O-N 2.94Å; D64-V67 PolarHBondContact O-N 2.87Å; D64-V67 VanDerWaalsContact O-N 3.17Å; D64-E68 PolarHBondContact O-N 3.26Å |
| 65 | Q | 87.1 | Confident | 83.4 | Confident | 35 Ų | 35 | 63.2 Ų | 63.2 | 16% | 0.164 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.1 | -41.8 | 172.6 | -75.7 | 164.8 | -22.8 | 0 | 0 | 111.6 | T62 E68 I69 I366 | T62-Q65 PolarHBondContact O-N 3.01Å; T62-Q65 WeakPolarHBondContact OG1-CG 3.48Å; T62-Q65 PolarHBondContact OG1-N 3.08Å; T62-Q65 PolarHBondContact OG1-OE1 3.01Å; Q65-E68 PolarHBondContact O-N 3.5Å; Q65-I69 WeakPolarHBondContact O-CD1 3.41Å; Q65-I69 VanDerWaalsContact O-CG1 3.23Å; Q65-I69 WeakPolarHBondContact O-CG1 3.42Å; Q65-I69 PolarHBondContact O-N 2.91Å; Q65-I366 HydrophobicContact CB-CG2 4.08Å; Q65-I366 HydrophobicContact CG-CG2 3.9Å |
| 66 | K | 87.8 | Confident | 84.5 | Confident | 52 Ų | 52 | 54 Ų | 54 | 23% | 0.226 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59 | -48.5 | 174.6 | -169.3 | -166.1 | 174.6 | -174 | 0 | 111.3 | V48 E49 T62 K63 D64 E68 I69 Q70 | V48-K66 HydrophobicContact CG1-CB 3.9Å; V48-K66 HydrophobicContact CG1-CG 4.44Å; E49-K66 HydrophobicContact CB-CD 4.21Å; E49-K66 IonicContact OE1-NZ 3.15Å; E49-K66 PolarHBondContact OE1-NZ 3.19Å; E49-K66 VanDerWaalsContact OE2-CE 3.29Å; E49-K66 WeakPolarHBondContact OE2-CE 3.41Å; E49-K66 IonicContact OE2-NZ 3.71Å; E49-K66 PolarHBondContact OE2-NZ 2.89Å; T62-K66 PolarHBondContact O-N 2.72Å; K63-K66 WeakPolarHBondContact O-CB 3.27Å; K63-K66 PolarHBondContact O-N 2.99Å; D64-K66 VanDerWaalsContact C-N 3.3Å; D64-K66 PolarHBondContact O-N 2.94Å; K66-E68 VanDerWaalsContact C-N 3.31Å; K66-E68 PolarHBondContact O-N 3.15Å; K66-I69 PolarHBondContact O-N 2.92Å; K66-Q70 WeakPolarHBondContact O-CB 3.3Å; K66-Q70 PolarHBondContact O-N 2.88Å |
| 67 | V | 90.1 | Very high | 85.9 | Confident | 92 Ų | 92 | 53.4 Ų | 53.4 | 56% | 0.558 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -63.5 | -37.9 | -179.9 | 174.6 | 0 | 0 | 0 | 0 | 111.2 | K63 D64 T71 | K63-V67 WeakPolarHBondContact O-CG2 3.28Å; K63-V67 PolarHBondContact O-N 3.07Å; K63-V67 VanDerWaalsContact O-N 3.1Å; D64-V67 PolarHBondContact O-N 2.87Å; D64-V67 VanDerWaalsContact O-N 3.17Å; V67-T71 WeakPolarHBondContact O-CB 3.38Å; V67-T71 PolarHBondContact O-N 3.31Å; V67-T71 PolarHBondContact O-OG1 2.92Å |
| 68 | E | 91.9 | Very high | 87.1 | Confident | 74 Ų | 74 | 57.4 Ų | 57.4 | 35% | 0.346 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.8 | -48.6 | 175.8 | -156.2 | -166.5 | 154.7 | 0 | 0 | 111.7 | D64 Q65 K66 Q70 T71 Y72 | D64-E68 PolarHBondContact O-N 3.26Å; Q65-E68 PolarHBondContact O-N 3.5Å; K66-E68 VanDerWaalsContact C-N 3.31Å; K66-E68 PolarHBondContact O-N 3.15Å; E68-Q70 PolarHBondContact O-N 3.02Å; E68-T71 WeakPolarHBondContact O-CB 2.97Å; E68-T71 PolarHBondContact O-N 3.37Å; E68-Y72 HydrophobicContact CG-CD2 4.38Å; E68-Y72 HydrophobicContact CG-CE2 3.6Å; E68-Y72 WeakPolarHBondContact O-CD2 3.12Å; E68-Y72 PolarHBondContact O-N 2.9Å; E68-Y72 VanDerWaalsContact OE1-CE2 3.24Å; E68-Y72 WeakPolarHBondContact OE1-CE2 3.3Å; E68-Y72 VanDerWaalsContact OE1-CZ 3.28Å; E68-Y72 PolarHBondContact OE1-OH 3.47Å |
| 69 | I | 92.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 178 | -64.6 | 161.2 | 0 | 0 | 0 | 111 | V41 T44 V48 Q65 K66 T71 Y72 A73 I366 | V41-I69 HydrophobicContact CG1-CG2 3.75Å; V41-I69 WeakPolarHBondContact CG1-O 3.35Å; V41-I69 WeakPolarHBondContact O-CG2 3.23Å; T44-I69 HydrophobicContact CG2-CD1 4.09Å; T44-I69 HydrophobicContact CG2-CG2 4.27Å; V48-I69 HydrophobicContact CB-CD1 4.38Å; V48-I69 HydrophobicContact CG2-CD1 3.76Å; Q65-I69 WeakPolarHBondContact O-CD1 3.41Å; Q65-I69 VanDerWaalsContact O-CG1 3.23Å; Q65-I69 WeakPolarHBondContact O-CG1 3.42Å; Q65-I69 PolarHBondContact O-N 2.91Å; K66-I69 PolarHBondContact O-N 2.92Å; I69-T71 VanDerWaalsContact C-N 3.33Å; I69-T71 PolarHBondContact O-N 3.33Å; I69-Y72 WeakPolarHBondContact O-CA 3.46Å; I69-Y72 WeakPolarHBondContact O-CB 3.44Å; I69-Y72 PolarHBondContact O-N 3.46Å; I69-Y72 VanDerWaalsContact O-N 3.08Å; I69-A73 PolarHBondContact O-N 3.41Å; I69-I366 HydrophobicContact CD1-CD1 4.35Å; I69-I366 HydrophobicContact CD1-CG2 4.08Å; I69-I366 HydrophobicContact CG1-CD1 3.98Å |
| 70 | Q | 93.1 | Very high | 89.3 | Confident | 73 Ų | 73 | 53.7 Ų | 53.7 | 34% | 0.341 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 175.3 | -174 | 59 | 47.3 | 0 | 0 | 111.5 | K66 E68 Y72 A73 D74 | K66-Q70 WeakPolarHBondContact O-CB 3.3Å; K66-Q70 PolarHBondContact O-N 2.88Å; E68-Q70 PolarHBondContact O-N 3.02Å; Q70-Y72 PolarHBondContact O-N 3.48Å; Q70-A73 WeakPolarHBondContact O-CB 3.41Å; Q70-A73 PolarHBondContact O-N 2.94Å; Q70-D74 PolarHBondContact NE2-OD1 3.47Å; Q70-D74 VanDerWaalsContact O-CG 3.31Å; Q70-D74 PolarHBondContact O-N 2.83Å |
| 71 | T | 93.9 | Very high | 89.8 | Confident | 55 Ų | 55 | 58.6 Ų | 58.6 | 34% | 0.337 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.8 | -33.1 | 175.1 | -56 | 0 | 0 | 0 | 0 | 111.6 | V67 E68 I69 K75 | V67-T71 WeakPolarHBondContact O-CB 3.38Å; V67-T71 PolarHBondContact O-N 3.31Å; V67-T71 PolarHBondContact O-OG1 2.92Å; E68-T71 WeakPolarHBondContact O-CB 2.97Å; E68-T71 PolarHBondContact O-N 3.37Å; I69-T71 VanDerWaalsContact C-N 3.33Å; I69-T71 PolarHBondContact O-N 3.33Å; T71-K75 HydrophobicContact CG2-CD 4.3Å; T71-K75 WeakPolarHBondContact O-CB 3.24Å; T71-K75 WeakPolarHBondContact O-CD 3.35Å; T71-K75 WeakPolarHBondContact O-CG 3.45Å; T71-K75 PolarHBondContact O-N 2.92Å; T71-K75 VanDerWaalsContact O-N 3.12Å |
| 72 | Y | 94.1 | Very high | 90.2 | Very high | 30 Ų | 30 | 60.5 Ų | 60.5 | 12% | 0.118 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -70.3 | -39.9 | 171.9 | -66.1 | -51.1 | 0 | 0 | 0 | 112.8 | E68 I69 Q70 D74 K75 L76 I359 K362 V363 | E68-Y72 HydrophobicContact CG-CD2 4.38Å; E68-Y72 HydrophobicContact CG-CE2 3.6Å; E68-Y72 WeakPolarHBondContact O-CD2 3.12Å; E68-Y72 PolarHBondContact O-N 2.9Å; E68-Y72 VanDerWaalsContact OE1-CE2 3.24Å; E68-Y72 WeakPolarHBondContact OE1-CE2 3.3Å; E68-Y72 VanDerWaalsContact OE1-CZ 3.28Å; E68-Y72 PolarHBondContact OE1-OH 3.47Å; I69-Y72 WeakPolarHBondContact O-CA 3.46Å; I69-Y72 WeakPolarHBondContact O-CB 3.44Å; I69-Y72 PolarHBondContact O-N 3.46Å; I69-Y72 VanDerWaalsContact O-N 3.08Å; Q70-Y72 PolarHBondContact O-N 3.48Å; Y72-D74 VanDerWaalsContact C-N 3.34Å; Y72-D74 PolarHBondContact O-N 3.24Å; Y72-K75 HydrophobicContact CD1-CD 4.11Å; Y72-K75 PolarHBondContact O-N 3.37Å; Y72-L76 WeakPolarHBondContact O-CB 3.3Å; Y72-L76 VanDerWaalsContact O-CG 3.27Å; Y72-L76 WeakPolarHBondContact O-CG 3.46Å; Y72-L76 PolarHBondContact O-N 2.88Å; Y72-I359 HydrophobicContact CD1-CD1 4.26Å; Y72-I359 HydrophobicContact CD1-CG1 3.76Å; Y72-I359 HydrophobicContact CD1-CG2 4.23Å; Y72-I359 HydrophobicContact CE1-CG1 4.27Å; Y72-I359 HydrophobicContact CG-CG1 4.41Å; Y72-I359 HydrophobicContact CG-CG2 4.01Å; Y72-K362 HydrophobicContact CE2-CB 4.04Å; Y72-V363 HydrophobicContact CD2-CG2 4.06Å |
| 73 | A | 93.8 | Very high | 90.4 | Very high | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.008 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.7 | -43.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L38 V41 K42 I69 Q70 L76 A77 | L38-A73 HydrophobicContact CD1-CB 4.15Å; L38-A73 VanDerWaalsContact CD1-O 3.25Å; L38-A73 WeakPolarHBondContact CD1-O 3.49Å; V41-A73 HydrophobicContact CG1-CB 3.96Å; K42-A73 HydrophobicContact CG-CB 4.41Å; I69-A73 PolarHBondContact O-N 3.41Å; Q70-A73 WeakPolarHBondContact O-CB 3.41Å; Q70-A73 PolarHBondContact O-N 2.94Å; A73-L76 PolarHBondContact O-N 2.98Å; A73-A77 PolarHBondContact O-N 2.93Å |
| 74 | D | 92.8 | Very high | 90.5 | Very high | 88 Ų | 88 | 53.1 Ų | 53.1 | 47% | 0.471 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.7 | -42.3 | 179.1 | -58.8 | -22.1 | 0 | 0 | 0 | 111.4 | Q70 Y72 L76 A77 V78 | Q70-D74 PolarHBondContact NE2-OD1 3.47Å; Q70-D74 VanDerWaalsContact O-CG 3.31Å; Q70-D74 PolarHBondContact O-N 2.83Å; Y72-D74 VanDerWaalsContact C-N 3.34Å; Y72-D74 PolarHBondContact O-N 3.24Å; D74-L76 VanDerWaalsContact C-N 3.31Å; D74-L76 PolarHBondContact O-N 3.41Å; D74-A77 PolarHBondContact O-N 2.88Å; D74-V78 PolarHBondContact O-N 2.88Å; D74-V78 VanDerWaalsContact O-N 3.11Å |
| 75 | K | 92.1 | Very high | 90.4 | Very high | 77 Ų | 77 | 55.3 Ų | 55.3 | 34% | 0.335 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.6 | -42 | 172 | -75.2 | 163.1 | -177.9 | 162.8 | 0 | 111.7 | T71 Y72 I79 | T71-K75 HydrophobicContact CG2-CD 4.3Å; T71-K75 WeakPolarHBondContact O-CB 3.24Å; T71-K75 WeakPolarHBondContact O-CD 3.35Å; T71-K75 WeakPolarHBondContact O-CG 3.45Å; T71-K75 PolarHBondContact O-N 2.92Å; T71-K75 VanDerWaalsContact O-N 3.12Å; Y72-K75 HydrophobicContact CD1-CD 4.11Å; Y72-K75 PolarHBondContact O-N 3.37Å; K75-I79 WeakPolarHBondContact O-CD1 3.29Å; K75-I79 VanDerWaalsContact O-CG1 3.28Å; K75-I79 WeakPolarHBondContact O-CG1 3.32Å; K75-I79 PolarHBondContact O-N 2.95Å; K75-I79 VanDerWaalsContact O-N 3.12Å |
| 76 | L | 93.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.7 | -38.3 | 178.7 | -73.4 | 168 | 0 | 0 | 0 | 112.4 | F34 L37 L38 V41 Y72 A73 D74 I79 K80 I359 | F34-L76 HydrophobicContact CD1-CD2 3.9Å; F34-L76 HydrophobicContact CE1-CD2 3.73Å; L37-L76 HydrophobicContact CD1-CD1 4.49Å; L37-L76 HydrophobicContact CD2-CD1 4.24Å; L37-L76 HydrophobicContact CD2-CD2 3.65Å; L37-L76 HydrophobicContact CG-CD1 3.82Å; L37-L76 HydrophobicContact CG-CD2 4.1Å; L38-L76 HydrophobicContact CD1-CB 4.07Å; V41-L76 HydrophobicContact CB-CD1 4.24Å; V41-L76 HydrophobicContact CG2-CD1 3.75Å; Y72-L76 WeakPolarHBondContact O-CB 3.3Å; Y72-L76 VanDerWaalsContact O-CG 3.27Å; Y72-L76 WeakPolarHBondContact O-CG 3.46Å; Y72-L76 PolarHBondContact O-N 2.88Å; A73-L76 PolarHBondContact O-N 2.98Å; D74-L76 VanDerWaalsContact C-N 3.31Å; D74-L76 PolarHBondContact O-N 3.41Å; L76-I79 PolarHBondContact O-N 3.36Å; L76-K80 PolarHBondContact O-N 3.31Å; L76-I359 HydrophobicContact CD1-CG2 4.07Å; L76-I359 HydrophobicContact CD2-CD1 3.95Å; L76-I359 HydrophobicContact CG-CD1 4.06Å |
| 77 | A | 92.3 | Very high | 90.2 | Very high | 36 Ų | 36 | 57.3 Ų | 57.3 | 30% | 0.298 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.6 | -45.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | L38 A73 D74 I79 K80 E81 | L38-A77 HydrophobicContact CD1-CB 4.45Å; L38-A77 HydrophobicContact CD2-CB 4.36Å; A73-A77 PolarHBondContact O-N 2.93Å; D74-A77 PolarHBondContact O-N 2.88Å; A77-I79 PolarHBondContact O-N 3.44Å; A77-K80 WeakPolarHBondContact O-CB 3.37Å; A77-K80 PolarHBondContact O-N 3.4Å; A77-E81 PolarHBondContact O-N 3.11Å; A77-E81 VanDerWaalsContact O-N 3.12Å |
| 78 | V | 92.4 | Very high | 90.2 | Very high | 95 Ų | 95 | 53 Ų | 53 | 58% | 0.576 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -62 | -41.9 | 174.9 | 174.1 | 0 | 0 | 0 | 0 | 111.6 | D74 K80 E81 V82 | D74-V78 PolarHBondContact O-N 2.88Å; D74-V78 VanDerWaalsContact O-N 3.11Å; V78-K80 VanDerWaalsContact C-N 3.35Å; V78-K80 PolarHBondContact O-N 3.32Å; V78-E81 PolarHBondContact O-N 3.47Å; V78-V82 WeakPolarHBondContact O-CG2 3.21Å; V78-V82 PolarHBondContact O-N 3.33Å; V78-V82 VanDerWaalsContact O-N 3.07Å |
| 79 | I | 90 | Very high | 90.1 | Very high | 8 Ų | 8 | 50.3 Ų | 50.3 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.9 | -39.4 | 176.6 | -64 | 162 | 0 | 0 | 0 | 110.9 | F34 K75 L76 A77 E81 V82 L83 H352 R355 | F34-I79 HydrophobicContact CD1-CB 4.27Å; F34-I79 HydrophobicContact CD1-CG2 3.85Å; F34-I79 HydrophobicContact CE1-CB 3.84Å; F34-I79 HydrophobicContact CE1-CD1 4.26Å; F34-I79 HydrophobicContact CE1-CG2 3.26Å; F34-I79 HydrophobicContact CZ-CG2 3.74Å; K75-I79 WeakPolarHBondContact O-CD1 3.29Å; K75-I79 VanDerWaalsContact O-CG1 3.28Å; K75-I79 WeakPolarHBondContact O-CG1 3.32Å; K75-I79 PolarHBondContact O-N 2.95Å; K75-I79 VanDerWaalsContact O-N 3.12Å; L76-I79 PolarHBondContact O-N 3.36Å; A77-I79 PolarHBondContact O-N 3.44Å; I79-E81 PolarHBondContact O-N 3.44Å; I79-V82 PolarHBondContact O-N 3.45Å; I79-V82 VanDerWaalsContact O-N 3.15Å; I79-L83 HydrophobicContact CG2-CD1 3.9Å; I79-L83 HydrophobicContact CG2-CG 4.05Å; I79-L83 VanDerWaalsContact O-CG 3.31Å; I79-L83 WeakPolarHBondContact O-CG 3.36Å; I79-L83 PolarHBondContact O-N 3.16Å; I79-H352 HydrophobicContact CG2-CB 4.05Å; I79-R355 HydrophobicContact CD1-CG 4.43Å |
| 80 | K | 90.6 | Very high | 90.1 | Very high | 62 Ų | 62 | 50.3 Ų | 50.3 | 27% | 0.27 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.3 | -45.4 | 176.2 | -171.2 | -174.9 | -179.5 | -172 | 0 | 111.9 | E35 L38 L76 A77 V78 L83 A84 | E35-K80 VanDerWaalsContact CD-NZ 3.26Å; E35-K80 IonicContact OE1-NZ 3.68Å; E35-K80 PolarHBondContact OE1-NZ 3.45Å; E35-K80 IonicContact OE2-NZ 2.74Å; L38-K80 HydrophobicContact CD2-CD 4.43Å; L76-K80 PolarHBondContact O-N 3.31Å; A77-K80 WeakPolarHBondContact O-CB 3.37Å; A77-K80 PolarHBondContact O-N 3.4Å; V78-K80 VanDerWaalsContact C-N 3.35Å; V78-K80 PolarHBondContact O-N 3.32Å; K80-L83 PolarHBondContact O-N 3.22Å; K80-A84 PolarHBondContact O-N 3.49Å |
| 81 | E | 88.9 | Confident | 90.1 | Very high | 104 Ų | 104 | 46.9 Ų | 46.9 | 49% | 0.486 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.6 | -42.8 | 174 | -73.1 | -170 | -157.6 | 0 | 0 | 112.6 | A77 V78 I79 L83 A84 R85 | A77-E81 PolarHBondContact O-N 3.11Å; A77-E81 VanDerWaalsContact O-N 3.12Å; V78-E81 PolarHBondContact O-N 3.47Å; I79-E81 PolarHBondContact O-N 3.44Å; E81-L83 VanDerWaalsContact C-N 3.35Å; E81-L83 PolarHBondContact O-N 3.45Å; E81-A84 PolarHBondContact O-N 2.96Å; E81-R85 WeakPolarHBondContact O-CG 3.49Å; E81-R85 PolarHBondContact O-N 3.11Å; E81-R85 IonicContact OE2-CZ 2.8Å; E81-R85 IonicContact OE2-NH1 2.68Å; E81-R85 IonicContact OE2-NH2 2.65Å; E81-R85 PolarHBondContact OE2-NH2 3.33Å |
| 82 | V | 87.8 | Confident | 90.1 | Very high | 47 Ų | 47 | 44.3 Ų | 44.3 | 29% | 0.285 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.8 | -37.9 | 178.4 | 167.9 | 0 | 0 | 0 | 0 | 111.6 | V78 I79 R86 | V78-V82 WeakPolarHBondContact O-CG2 3.21Å; V78-V82 PolarHBondContact O-N 3.33Å; V78-V82 VanDerWaalsContact O-N 3.07Å; I79-V82 PolarHBondContact O-N 3.45Å; I79-V82 VanDerWaalsContact O-N 3.15Å; V82-R86 VanDerWaalsContact CG1-NE 3.28Å; V82-R86 WeakPolarHBondContact O-CD 3.3Å; V82-R86 VanDerWaalsContact O-CG 3.24Å; V82-R86 WeakPolarHBondContact O-CG 3.4Å; V82-R86 PolarHBondContact O-N 2.96Å |
| 83 | L | 87.4 | Confident | 89.9 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67 | -42.6 | 175.6 | -71.4 | 173 | 0 | 0 | 0 | 111.9 | K27 I30 F34 I79 K80 E81 R85 R86 F349 | K27-L83 WeakPolarHBondContact CE-O 3.19Å; I30-L83 HydrophobicContact CG2-CD2 4.46Å; F34-L83 HydrophobicContact CB-CD1 4.23Å; F34-L83 HydrophobicContact CD1-CD1 4.08Å; F34-L83 HydrophobicContact CD2-CD1 3.61Å; F34-L83 HydrophobicContact CE1-CD1 4.34Å; F34-L83 HydrophobicContact CE2-CD1 3.87Å; F34-L83 HydrophobicContact CG-CD1 3.69Å; F34-L83 HydrophobicContact CZ-CD1 4.22Å; I79-L83 HydrophobicContact CG2-CD1 3.9Å; I79-L83 HydrophobicContact CG2-CG 4.05Å; I79-L83 VanDerWaalsContact O-CG 3.31Å; I79-L83 WeakPolarHBondContact O-CG 3.36Å; I79-L83 PolarHBondContact O-N 3.16Å; K80-L83 PolarHBondContact O-N 3.22Å; E81-L83 VanDerWaalsContact C-N 3.35Å; E81-L83 PolarHBondContact O-N 3.45Å; L83-R85 VanDerWaalsContact C-N 3.34Å; L83-R85 PolarHBondContact O-N 2.98Å; L83-R86 PolarHBondContact O-N 3.43Å; L83-F349 HydrophobicContact CD2-CD1 3.51Å; L83-F349 HydrophobicContact CD2-CE1 3.75Å |
| 84 | A | 84.1 | Confident | 89.7 | Confident | 61 Ų | 61 | 42.9 Ų | 42.9 | 50% | 0.504 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.2 | -42.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | K27 K80 E81 R86 | K27-A84 WeakPolarHBondContact CE-O 3.49Å; K27-A84 PolarHBondContact NZ-O 2.95Å; K80-A84 PolarHBondContact O-N 3.49Å; E81-A84 PolarHBondContact O-N 2.96Å; A84-R86 VanDerWaalsContact C-N 3.34Å; A84-R86 PolarHBondContact O-N 3.11Å |
| 85 | R | 82.3 | Confident | 89.5 | Confident | 171 Ų | 171 | 42.3 Ų | 42.3 | 65% | 0.645 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -74.9 | -15.6 | -179.6 | -65.8 | 176.9 | -170.1 | 140.3 | 15.4 | 114.4 | E81 L83 H87 | E81-R85 WeakPolarHBondContact O-CG 3.49Å; E81-R85 PolarHBondContact O-N 3.11Å; E81-R85 IonicContact OE2-CZ 2.8Å; E81-R85 IonicContact OE2-NH1 2.68Å; E81-R85 IonicContact OE2-NH2 2.65Å; E81-R85 PolarHBondContact OE2-NH2 3.33Å; L83-R85 VanDerWaalsContact C-N 3.34Å; L83-R85 PolarHBondContact O-N 2.98Å; R85-H87 PolarHBondContact O-N 3.36Å |
| 86 | R | 82.6 | Confident | 89.2 | Confident | 77 Ų | 77 | 39.9 Ų | 39.9 | 29% | 0.291 | 20% | 0.199 | S | C | . | . | trans | -72.2 | 122.5 | -176.3 | -85.6 | 164.9 | -176.9 | -133.8 | -9.4 | 111.8 | K27 V82 L83 A84 K348 H352 | K27-R86 VanDerWaalsContact CE-O 3.32Å; K27-R86 WeakPolarHBondContact CE-O 3.47Å; K27-R86 PolarHBondContact NZ-O 2.99Å; V82-R86 VanDerWaalsContact CG1-NE 3.28Å; V82-R86 WeakPolarHBondContact O-CD 3.3Å; V82-R86 VanDerWaalsContact O-CG 3.24Å; V82-R86 WeakPolarHBondContact O-CG 3.4Å; V82-R86 PolarHBondContact O-N 2.96Å; L83-R86 PolarHBondContact O-N 3.43Å; A84-R86 VanDerWaalsContact C-N 3.34Å; A84-R86 PolarHBondContact O-N 3.11Å; R86-K348 HydrophobicContact CB-CD 4.08Å; R86-K348 HydrophobicContact CG-CD 4.24Å; R86-K348 PolarHBondContact NH1-O 3.44Å; R86-H352 PolarHBondContact NH1-NE2 3.1Å | ||
| 87 | H | 87.9 | Confident | 88.8 | Confident | 53 Ų | 53 | 42.6 Ų | 42.6 | 25% | 0.245 | 22% | 0.218 | C | C | . | . | trans | -116.2 | 158.7 | 171.4 | 56.2 | 79.6 | 0 | 0 | 0 | 109.2 | R85 D185 V187 K348 | R85-H87 PolarHBondContact O-N 3.36Å; H87-D185 WeakPolarHBondContact CB-O 3.28Å; H87-V187 HydrophobicContact CB-CG2 3.88Å; H87-V187 VanDerWaalsContact CG-CG2 3.48Å; H87-V187 WeakPolarHBondContact ND1-CG2 3.46Å; H87-K348 WeakPolarHBondContact O-CE 3.19Å; H87-K348 PolarHBondContact O-NZ 3.37Å | ||
| 88 | M | 90.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 139.7 | 166.4 | -62.6 | -173.6 | -81.5 | 0 | 0 | 108.9 | L20 F23 D184 D185 L186 V187 D212 I340 A344 | L20-M88 HydrophobicContact CB-CE 4.14Å; L20-M88 HydrophobicContact CD2-CE 3.9Å; L20-M88 HydrophobicContact CD2-SD 4.35Å; F23-M88 HydrophobicContact CB-CE 3.82Å; F23-M88 HydrophobicContact CB-CG 4.21Å; F23-M88 HydrophobicContact CB-SD 3.55Å; F23-M88 VanDerWaalsContact CB-SD 3.55Å; F23-M88 HydrophobicContact CD1-CE 3.89Å; F23-M88 HydrophobicContact CD1-CG 3.57Å; F23-M88 HydrophobicContact CD1-SD 3.99Å; F23-M88 HydrophobicContact CD2-CG 3.74Å; F23-M88 HydrophobicContact CD2-SD 4.1Å; F23-M88 HydrophobicContact CE1-CG 3.8Å; F23-M88 HydrophobicContact CE2-CG 3.97Å; F23-M88 HydrophobicContact CG-CE 4Å; F23-M88 HydrophobicContact CG-CG 3.55Å; F23-M88 HydrophobicContact CG-SD 3.61Å; F23-M88 HydrophobicContact CZ-CG 4Å; M88-D184 WeakPolarHBondContact CE-O 3.43Å; M88-D185 PolarHBondContact N-O 2.87Å; M88-L186 HydrophobicContact CB-CD1 3.88Å; M88-V187 WeakPolarHBondContact O-CB 3.39Å; M88-V187 PolarHBondContact O-N 2.85Å; M88-D212 WeakPolarHBondContact CA-OD2 3.49Å; M88-I340 HydrophobicContact CB-CD1 3.72Å; M88-I340 HydrophobicContact CB-CG1 4.36Å; M88-I340 HydrophobicContact CG-CD1 4.43Å; M88-I340 HydrophobicContact SD-CD1 4.16Å; M88-I340 HydrophobicContact SD-CG1 4.25Å; M88-I340 HydrophobicContact SD-CG2 4.24Å; M88-A344 HydrophobicContact CB-CB 4.37Å; M88-A344 HydrophobicContact CG-CB 3.64Å; M88-A344 HydrophobicContact SD-CB 4.18Å |
| 89 | K | 90.9 | Very high | 88.5 | Confident | 19 Ų | 19 | 37.5 Ų | 37.5 | 8% | 0.083 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 128.8 | -176.6 | -173.3 | -178 | -171.7 | 179.4 | 0 | 111.1 | V187 V189 F207 D210 A211 D212 | K89-V187 WeakPolarHBondContact CA-O 3.34Å; K89-V189 HydrophobicContact CG-CG2 4.25Å; K89-F207 WeakPolarHBondContact CE-O 3.36Å; K89-F207 PolarHBondContact NZ-O 2.91Å; K89-D210 WeakPolarHBondContact CD-OD2 3.27Å; K89-D210 IonicContact NZ-OD1 3.51Å; K89-D210 PolarHBondContact NZ-OD1 3.36Å; K89-D210 IonicContact NZ-OD2 3.66Å; K89-D210 PolarHBondContact NZ-OD2 3.35Å; K89-A211 HydrophobicContact CD-CB 4.46Å; K89-A211 HydrophobicContact CG-CB 4.45Å; K89-D212 PolarHBondContact N-OD2 3.01Å; K89-D212 PolarHBondContact O-N 2.91Å |
| 90 | V | 92.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 132.7 | 177.5 | -179.4 | 0 | 0 | 0 | 0 | 110.4 | F92 L186 V187 L188 V189 V213 V215 F336 I340 | V90-F92 HydrophobicContact CB-CE2 4.29Å; V90-F92 HydrophobicContact CG1-CD2 4.17Å; V90-F92 HydrophobicContact CG1-CE2 3.6Å; V90-F92 HydrophobicContact CG1-CZ 4.08Å; V90-L186 HydrophobicContact CG2-CD1 4.11Å; V90-V187 PolarHBondContact N-O 3.5Å; V90-L188 HydrophobicContact CB-CD2 4.24Å; V90-V189 PolarHBondContact O-N 3.31Å; V90-V213 WeakPolarHBondContact CA-O 3.38Å; V90-V213 HydrophobicContact CG1-CG1 4.43Å; V90-V213 HydrophobicContact CG2-CB 4.13Å; V90-V215 HydrophobicContact CG1-CG2 3.76Å; V90-F336 HydrophobicContact CB-CE2 4.3Å; V90-F336 HydrophobicContact CB-CZ 4.21Å; V90-F336 HydrophobicContact CG1-CE2 3.68Å; V90-F336 HydrophobicContact CG1-CZ 3.99Å; V90-F336 HydrophobicContact CG2-CE2 3.79Å; V90-F336 HydrophobicContact CG2-CZ 3.64Å; V90-I340 HydrophobicContact CG2-CD1 3.22Å; V90-I340 HydrophobicContact CG2-CG1 4.13Å |
| 91 | A | 92.8 | Very high | 88.6 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.008 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 125.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | F93 V189 A211 V213 F214 V215 | A91-F93 HydrophobicContact CB-CD2 4.19Å; A91-F93 HydrophobicContact CB-CE2 3.4Å; A91-F93 VanDerWaalsContact CB-CE2 3.4Å; A91-F93 HydrophobicContact CB-CZ 4.05Å; A91-V189 HydrophobicContact CB-CB 4.41Å; A91-A211 HydrophobicContact CB-CB 4.34Å; A91-V213 PolarHBondContact N-O 3.31Å; A91-F214 HydrophobicContact CB-CD1 4.3Å; A91-F214 HydrophobicContact CB-CE1 4.42Å; A91-F214 WeakPolarHBondContact O-CA 3.33Å; A91-V215 PolarHBondContact O-N 3.07Å |
| 92 | F | 92.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 124.4 | -179.7 | -69 | -103.2 | 0 | 0 | 0 | 109.9 | V90 V103 I104 M107 L188 V189 S191 V215 V217 | V90-F92 HydrophobicContact CB-CE2 4.29Å; V90-F92 HydrophobicContact CG1-CD2 4.17Å; V90-F92 HydrophobicContact CG1-CE2 3.6Å; V90-F92 HydrophobicContact CG1-CZ 4.08Å; F92-V103 HydrophobicContact CD1-CG1 4.3Å; F92-V103 HydrophobicContact CE1-CG1 3.81Å; F92-I104 HydrophobicContact CB-CD1 4.1Å; F92-I104 HydrophobicContact CD1-CD1 4.45Å; F92-I104 HydrophobicContact CD1-CG1 4.04Å; F92-I104 HydrophobicContact CD2-CD1 3.7Å; F92-I104 HydrophobicContact CD2-CG1 3.75Å; F92-I104 HydrophobicContact CE1-CG1 4.13Å; F92-I104 HydrophobicContact CE2-CD1 4.27Å; F92-I104 HydrophobicContact CE2-CG1 3.87Å; F92-I104 HydrophobicContact CG-CD1 3.83Å; F92-I104 HydrophobicContact CG-CG1 3.86Å; F92-I104 HydrophobicContact CZ-CG1 4.06Å; F92-M107 HydrophobicContact CE1-SD 3.96Å; F92-M107 HydrophobicContact CZ-CE 4.33Å; F92-M107 HydrophobicContact CZ-SD 3.66Å; F92-L188 HydrophobicContact CE2-CB 4.32Å; F92-L188 HydrophobicContact CE2-CD2 4.07Å; F92-V189 PolarHBondContact N-O 3.43Å; F92-S191 VanDerWaalsContact O-CB 3.29Å; F92-S191 WeakPolarHBondContact O-CB 3.32Å; F92-S191 PolarHBondContact O-N 2.95Å; F92-S191 PolarHBondContact O-OG 3.3Å; F92-V215 CarbonylContact C-O 3.54Å; F92-V215 WeakPolarHBondContact CA-O 3.37Å; F92-V215 HydrophobicContact CD1-CB 3.64Å; F92-V215 HydrophobicContact CD1-CG1 3.74Å; F92-V215 HydrophobicContact CD1-CG2 4.28Å; F92-V215 HydrophobicContact CE1-CB 3.74Å; F92-V215 HydrophobicContact CE1-CG1 3.71Å; F92-V215 HydrophobicContact CE1-CG2 3.92Å; F92-V215 HydrophobicContact CG-CB 4.19Å; F92-V215 HydrophobicContact CZ-CB 4.35Å; F92-V215 HydrophobicContact CZ-CG2 4.09Å; F92-V217 HydrophobicContact CD1-CG2 4.2Å |
| 93 | F | 91.2 | Very high | 89 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 0% | 0.004 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 164.9 | -177.5 | -71.3 | -75.4 | 0 | 0 | 0 | 112 | A91 K100 F124 S191 T194 C208 F214 V215 V217 F231 F232 | A91-F93 HydrophobicContact CB-CD2 4.19Å; A91-F93 HydrophobicContact CB-CE2 3.4Å; A91-F93 VanDerWaalsContact CB-CE2 3.4Å; A91-F93 HydrophobicContact CB-CZ 4.05Å; F93-K100 VanDerWaalsContact C-CD 3.44Å; F93-F124 HydrophobicContact CE1-CE1 4.12Å; F93-F124 HydrophobicContact CE1-CZ 4.37Å; F93-F124 HydrophobicContact CZ-CE1 4.22Å; F93-S191 VanDerWaalsContact CD1-CB 3.48Å; F93-S191 WeakPolarHBondContact CD1-OG 3.32Å; F93-T194 HydrophobicContact CB-CG2 4.48Å; F93-T194 HydrophobicContact CD1-CG2 4.29Å; F93-C208 WeakPolarHBondContact CZ-SG 3.47Å; F93-F214 AromaticContact CD2-CD1 3.99Å; F93-F214 HydrophobicContact CD2-CD1 3.99Å; F93-F214 AromaticContact CE2-CD1 3.75Å; F93-F214 HydrophobicContact CE2-CD1 3.75Å; F93-F214 HydrophobicContact CE2-CE1 4Å; F93-V215 PolarHBondContact N-O 3.35Å; F93-V217 PolarHBondContact O-N 3.37Å; F93-F231 HydrophobicContact CB-CD1 4.35Å; F93-F231 HydrophobicContact CB-CE1 3.99Å; F93-F231 HydrophobicContact CD1-CD1 4.27Å; F93-F231 AromaticContact CD1-CE1 3.47Å; F93-F231 HydrophobicContact CD1-CE1 3.47Å; F93-F231 VanDerWaalsContact CD1-CE1 3.47Å; F93-F231 HydrophobicContact CD1-CE2 4.17Å; F93-F231 AromaticContact CD1-CZ 3.41Å; F93-F231 HydrophobicContact CD1-CZ 3.41Å; F93-F231 VanDerWaalsContact CD1-CZ 3.41Å; F93-F231 AromaticContact CD2-CE1 3.66Å; F93-F231 HydrophobicContact CD2-CE1 3.66Å; F93-F231 HydrophobicContact CD2-CZ 4.04Å; F93-F231 AromaticContact CE1-CE1 3.83Å; F93-F231 HydrophobicContact CE1-CE1 3.83Å; F93-F231 HydrophobicContact CE1-CE2 4.02Å; F93-F231 AromaticContact CE1-CZ 3.3Å; F93-F231 HydrophobicContact CE1-CZ 3.3Å; F93-F231 AromaticContact CE2-CE1 3.97Å; F93-F231 HydrophobicContact CE2-CE1 3.97Å; F93-F231 AromaticContact CE2-CZ 3.9Å; F93-F231 HydrophobicContact CE2-CZ 3.9Å; F93-F231 HydrophobicContact CG-CD1 4.2Å; F93-F231 AromaticContact CG-CE1 3.39Å; F93-F231 HydrophobicContact CG-CE1 3.39Å; F93-F231 AromaticContact CG-CZ 3.81Å; F93-F231 HydrophobicContact CG-CZ 3.81Å; F93-F231 HydrophobicContact CZ-CE1 4.09Å; F93-F231 AromaticContact CZ-CZ 3.58Å; F93-F231 HydrophobicContact CZ-CZ 3.58Å; F93-F232 HydrophobicContact CB-CE2 4.02Å; F93-F232 HydrophobicContact CB-CZ 4.04Å; F93-F232 HydrophobicContact CD2-CZ 4.29Å |
| 94 | G | 89.4 | Confident | 89.3 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | 134.9 | 166.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | K100 T194 | G94-K100 PolarHBondContact O-NZ 2.79Å; G94-T194 VanDerWaalsContact C-OG1 3.31Å; G94-T194 PolarHBondContact O-N 3.43Å; G94-T194 PolarHBondContact O-OG1 3.14Å | ||
| 95 | R | 87.9 | Confident | 89.6 | Confident | 77 Ų | 77 | 26.7 Ų | 26.7 | 29% | 0.291 | 13% | 0.126 | S | C | . | . | trans | -63.6 | 164.5 | -175.4 | -71.3 | 177.6 | 64.5 | -162.8 | -0.9 | 114 | N98 T194 D195 E228 | R95-N98 PolarHBondContact N-ND2 3.45Å; R95-N98 PolarHBondContact O-N 3.47Å; R95-T194 PolarHBondContact N-OG1 3.41Å; R95-D195 WeakPolarHBondContact CB-OD2 3.32Å; R95-D195 HydrophobicContact CG-CB 4.19Å; R95-D195 IonicContact CZ-OD2 3.33Å; R95-D195 IonicContact NE-OD2 2.8Å; R95-D195 PolarHBondContact NE-OD2 2.84Å; R95-D195 IonicContact NH2-OD2 3.67Å; R95-D195 PolarHBondContact NH2-OD2 2.92Å; R95-E228 HydrophobicContact CG-CG 3.85Å; R95-E228 WeakPolarHBondContact CG-OE1 3.44Å; R95-E228 PolarHBondContact N-OE1 2.91Å | ||
| 96 | T | 85.6 | Confident | 90.1 | Very high | 26 Ų | 26 | 18.5 Ų | 18.5 | 16% | 0.16 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 139 | 170.6 | -54.6 | 0 | 0 | 0 | 0 | 109.8 | N98 H119 D195 V196 | T96-N98 PolarHBondContact O-N 2.89Å; T96-N98 VanDerWaalsContact O-N 3.15Å; T96-H119 WeakPolarHBondContact CG2-ND1 3.17Å; T96-D195 WeakPolarHBondContact CB-OD1 3.43Å; T96-D195 PolarHBondContact N-OD1 3.29Å; T96-D195 PolarHBondContact OG1-OD1 3.47Å; T96-V196 VanDerWaalsContact OG1-CG2 3.25Å; T96-V196 WeakPolarHBondContact OG1-CG2 3.29Å |
| 97 | S | 84.9 | Confident | 90.5 | Very high | 57 Ų | 57 | 14.9 Ų | 14.9 | 40% | 0.399 | 8% | 0.082 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | 0.3 | -178.6 | -52.5 | 0 | 0 | 0 | 0 | 117.7 | G99 R250 | S97-G99 PolarHBondContact O-N 3.28Å; S97-G99 VanDerWaalsContact O-N 3.1Å; S97-R250 PolarHBondContact O-NH2 3.02Å |
| 98 | N | 89.2 | Confident | 90.5 | Very high | 9 Ų | 9 | 12.5 Ų | 12.5 | 5% | 0.048 | 7% | 0.071 | C | C | . | . | S | Bend | trans | -62.8 | -14.8 | 171.2 | -74.8 | 10.3 | 0 | 0 | 0 | 113.3 | R95 T96 V217 E228 N249 | R95-N98 PolarHBondContact N-ND2 3.45Å; R95-N98 PolarHBondContact O-N 3.47Å; T96-N98 PolarHBondContact O-N 2.89Å; T96-N98 VanDerWaalsContact O-N 3.15Å; N98-V217 HydrophobicContact CB-CG1 4.4Å; N98-V217 WeakPolarHBondContact CB-O 3.48Å; N98-V217 PolarHBondContact ND2-O 2.89Å; N98-E228 PolarHBondContact ND2-OE1 2.8Å; N98-N249 PolarHBondContact O-ND2 2.84Å |
| 99 | G | 89.1 | Confident | 90.4 | Very high | 15 Ų | 15 | 18.2 Ų | 18.2 | 16% | 0.155 | 9% | 0.092 | C | C | . | . | trans | 96.8 | 24.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | S97 S101 T102 V103 | S97-G99 PolarHBondContact O-N 3.28Å; S97-G99 VanDerWaalsContact O-N 3.1Å; G99-S101 PolarHBondContact O-N 3.46Å; G99-T102 CarbonylContact O-C 3.52Å; G99-T102 WeakPolarHBondContact O-CA 3.25Å; G99-T102 VanDerWaalsContact O-CB 3.25Å; G99-T102 WeakPolarHBondContact O-CB 3.4Å; G99-T102 PolarHBondContact O-N 3.27Å; G99-V103 PolarHBondContact O-N 2.96Å | ||
| 100 | K | 90.9 | Very high | 90.2 | Very high | 13 Ų | 13 | 20.1 Ų | 20.1 | 6% | 0.057 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -48 | -57.7 | 177.1 | -56.5 | -167.2 | -60.8 | -83.2 | 0 | 113.3 | F93 G94 T102 V103 I104 D190 S191 P192 V217 | F93-K100 VanDerWaalsContact C-CD 3.44Å; G94-K100 PolarHBondContact O-NZ 2.79Å; K100-T102 PolarHBondContact O-N 2.81Å; K100-V103 WeakPolarHBondContact O-CB 3.43Å; K100-V103 PolarHBondContact O-N 3.23Å; K100-I104 PolarHBondContact O-N 3.28Å; K100-D190 WeakPolarHBondContact CB-OD1 3.45Å; K100-S191 WeakPolarHBondContact CE-O 3.39Å; K100-S191 WeakPolarHBondContact CE-OG 3.36Å; K100-S191 PolarHBondContact NZ-O 3.05Å; K100-P192 PolarHBondContact NZ-O 2.93Å; K100-V217 HydrophobicContact CG-CB 4.05Å; K100-V217 HydrophobicContact CG-CG2 4.19Å |
| 101 | S | 91.3 | Very high | 89.9 | Confident | 10 Ų | 10 | 25.4 Ų | 25.4 | 7% | 0.07 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.8 | -28.9 | 177.3 | -24.7 | 0 | 0 | 0 | 0 | 112.3 | G99 N105 P114 D190 | G99-S101 PolarHBondContact O-N 3.46Å; S101-N105 VanDerWaalsContact O-CB 3.3Å; S101-N105 WeakPolarHBondContact O-CB 3.32Å; S101-N105 PolarHBondContact O-N 3.32Å; S101-N105 PolarHBondContact O-ND2 2.81Å; S101-P114 WeakPolarHBondContact CB-O 3.42Å; S101-D190 WeakPolarHBondContact CB-OD2 3.18Å; S101-D190 PolarHBondContact OG-OD2 3.03Å |
| 102 | T | 91.9 | Very high | 89.6 | Confident | 30 Ų | 30 | 25.5 Ų | 25.5 | 18% | 0.184 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -72.3 | -39 | 173.3 | -47.5 | 0 | 0 | 0 | 0 | 112.1 | G99 K100 A106 A297 K298 L301 | G99-T102 CarbonylContact O-C 3.52Å; G99-T102 WeakPolarHBondContact O-CA 3.25Å; G99-T102 VanDerWaalsContact O-CB 3.25Å; G99-T102 WeakPolarHBondContact O-CB 3.4Å; G99-T102 PolarHBondContact O-N 3.27Å; K100-T102 PolarHBondContact O-N 2.81Å; T102-A106 VanDerWaalsContact O-CB 3.31Å; T102-A106 WeakPolarHBondContact O-CB 3.3Å; T102-A106 PolarHBondContact O-N 3Å; T102-A297 HydrophobicContact CG2-CB 4.03Å; T102-K298 HydrophobicContact CG2-CB 4.48Å; T102-L301 HydrophobicContact CG2-CD2 4.19Å |
| 103 | V | 93.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.4 | -48.9 | 172.1 | 173.2 | 0 | 0 | 0 | 0 | 109.9 | F92 G99 K100 N105 A106 M107 V217 L247 A297 F329 | F92-V103 HydrophobicContact CD1-CG1 4.3Å; F92-V103 HydrophobicContact CE1-CG1 3.81Å; G99-V103 PolarHBondContact O-N 2.96Å; K100-V103 WeakPolarHBondContact O-CB 3.43Å; K100-V103 PolarHBondContact O-N 3.23Å; V103-N105 PolarHBondContact O-N 3.49Å; V103-A106 WeakPolarHBondContact O-CB 3.34Å; V103-A106 PolarHBondContact O-N 3.14Å; V103-A106 VanDerWaalsContact O-N 3.14Å; V103-M107 HydrophobicContact CG1-SD 4.1Å; V103-M107 WeakPolarHBondContact O-CG 3.18Å; V103-M107 PolarHBondContact O-N 3.25Å; V103-V217 HydrophobicContact CG2-CG1 3.96Å; V103-V217 HydrophobicContact CG2-CG2 4.15Å; V103-L247 HydrophobicContact CG1-CD1 3.64Å; V103-L247 HydrophobicContact CG2-CD1 4.3Å; V103-A297 HydrophobicContact CB-CB 4.33Å; V103-A297 HydrophobicContact CG2-CB 3.69Å; V103-F329 HydrophobicContact CG1-CE2 4.48Å |
| 104 | I | 93.3 | Very high | 89.1 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.4 | -47.8 | 178.7 | -65 | 166.6 | 0 | 0 | 0 | 110.6 | F92 K100 A106 M107 L108 L113 L188 D190 | F92-I104 HydrophobicContact CB-CD1 4.1Å; F92-I104 HydrophobicContact CD1-CD1 4.45Å; F92-I104 HydrophobicContact CD1-CG1 4.04Å; F92-I104 HydrophobicContact CD2-CD1 3.7Å; F92-I104 HydrophobicContact CD2-CG1 3.75Å; F92-I104 HydrophobicContact CE1-CG1 4.13Å; F92-I104 HydrophobicContact CE2-CD1 4.27Å; F92-I104 HydrophobicContact CE2-CG1 3.87Å; F92-I104 HydrophobicContact CG-CD1 3.83Å; F92-I104 HydrophobicContact CG-CG1 3.86Å; F92-I104 HydrophobicContact CZ-CG1 4.06Å; K100-I104 PolarHBondContact O-N 3.28Å; I104-A106 VanDerWaalsContact C-N 3.31Å; I104-A106 PolarHBondContact O-N 3.13Å; I104-M107 PolarHBondContact O-N 2.88Å; I104-L108 HydrophobicContact CG2-CD1 3.71Å; I104-L108 HydrophobicContact CG2-CG 4.24Å; I104-L108 WeakPolarHBondContact O-CB 3.1Å; I104-L108 VanDerWaalsContact O-CG 3.29Å; I104-L108 WeakPolarHBondContact O-CG 3.47Å; I104-L108 PolarHBondContact O-N 3.43Å; I104-L113 HydrophobicContact CB-CD1 4.01Å; I104-L113 HydrophobicContact CD1-CD1 3.84Å; I104-L113 HydrophobicContact CG2-CD1 3.63Å; I104-L113 HydrophobicContact CG2-CG 4.45Å; I104-L188 HydrophobicContact CG2-CB 4.39Å; I104-L188 HydrophobicContact CG2-CD1 3.98Å; I104-D190 HydrophobicContact CD1-CB 3.56Å |
| 105 | N | 91.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.8 | -40.4 | 174.4 | -75.9 | -21.4 | 0 | 0 | 0 | 112.4 | S101 V103 L108 R109 D110 V112 L113 L301 | S101-N105 VanDerWaalsContact O-CB 3.3Å; S101-N105 WeakPolarHBondContact O-CB 3.32Å; S101-N105 PolarHBondContact O-N 3.32Å; S101-N105 PolarHBondContact O-ND2 2.81Å; V103-N105 PolarHBondContact O-N 3.49Å; N105-L108 PolarHBondContact O-N 3.44Å; N105-R109 PolarHBondContact O-N 2.95Å; N105-D110 CarbonylContact C-O 3.57Å; N105-D110 WeakPolarHBondContact CA-O 3.35Å; N105-D110 WeakPolarHBondContact CB-O 3.4Å; N105-D110 PolarHBondContact O-N 3.17Å; N105-D110 VanDerWaalsContact O-O 3.09Å; N105-D110 PolarHBondContact OD1-O 3.41Å; N105-V112 PolarHBondContact OD1-N 3.36Å; N105-L113 PolarHBondContact ND2-O 3.21Å; N105-L113 PolarHBondContact OD1-N 2.83Å; N105-L301 HydrophobicContact CB-CD1 4.16Å; N105-L301 HydrophobicContact CB-CD2 3.85Å |
| 106 | A | 91.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.4 | -45.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | T102 V103 I104 R109 A297 V300 L301 R304 F329 | T102-A106 VanDerWaalsContact O-CB 3.31Å; T102-A106 WeakPolarHBondContact O-CB 3.3Å; T102-A106 PolarHBondContact O-N 3Å; V103-A106 WeakPolarHBondContact O-CB 3.34Å; V103-A106 PolarHBondContact O-N 3.14Å; V103-A106 VanDerWaalsContact O-N 3.14Å; I104-A106 VanDerWaalsContact C-N 3.31Å; I104-A106 PolarHBondContact O-N 3.13Å; A106-R109 PolarHBondContact O-N 3.29Å; A106-A297 HydrophobicContact CB-CB 4.36Å; A106-V300 HydrophobicContact CB-CG1 4.29Å; A106-L301 HydrophobicContact CB-CB 4.08Å; A106-R304 WeakPolarHBondContact O-CD 3.49Å; A106-R304 PolarHBondContact O-NH1 3.16Å; A106-F329 HydrophobicContact CB-CE1 4.29Å; A106-F329 HydrophobicContact CB-CE2 4.25Å; A106-F329 HydrophobicContact CB-CZ 3.66Å |
| 107 | M | 90.6 | Very high | 86.9 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.1 | -46.7 | 174.6 | -66.7 | 174.5 | 74.9 | 0 | 0 | 111.5 | F92 V103 I104 R109 L181 F329 F332 F336 | F92-M107 HydrophobicContact CE1-SD 3.96Å; F92-M107 HydrophobicContact CZ-CE 4.33Å; F92-M107 HydrophobicContact CZ-SD 3.66Å; V103-M107 HydrophobicContact CG1-SD 4.1Å; V103-M107 WeakPolarHBondContact O-CG 3.18Å; V103-M107 PolarHBondContact O-N 3.25Å; I104-M107 PolarHBondContact O-N 2.88Å; M107-R109 WeakPolarHBondContact O-CG 3.21Å; M107-R109 PolarHBondContact O-N 3.05Å; M107-R109 VanDerWaalsContact O-N 3.16Å; M107-L181 HydrophobicContact CB-CD1 3.95Å; M107-L181 WeakPolarHBondContact O-CD1 3.35Å; M107-F329 HydrophobicContact CG-CE1 4.23Å; M107-F329 HydrophobicContact CG-CZ 3.83Å; M107-F332 HydrophobicContact CE-CE1 4.14Å; M107-F332 HydrophobicContact CE-CZ 4.4Å; M107-F332 HydrophobicContact SD-CE1 3.91Å; M107-F332 HydrophobicContact SD-CZ 4.39Å; M107-F336 HydrophobicContact CE-CD1 3.74Å; M107-F336 HydrophobicContact CE-CE1 3.42Å; M107-F336 VanDerWaalsContact CE-CE1 3.42Å; M107-F336 HydrophobicContact CE-CE2 4.49Å; M107-F336 HydrophobicContact CE-CG 4.39Å; M107-F336 HydrophobicContact CE-CZ 3.82Å |
| 108 | L | 89.3 | Confident | 86 | Confident | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.3 | -15.4 | 177.9 | -67.6 | 175.4 | 0 | 0 | 0 | 113.6 | I104 N105 D110 V112 V127 C179 L182 L188 | I104-L108 HydrophobicContact CG2-CD1 3.71Å; I104-L108 HydrophobicContact CG2-CG 4.24Å; I104-L108 WeakPolarHBondContact O-CB 3.1Å; I104-L108 VanDerWaalsContact O-CG 3.29Å; I104-L108 WeakPolarHBondContact O-CG 3.47Å; I104-L108 PolarHBondContact O-N 3.43Å; N105-L108 PolarHBondContact O-N 3.44Å; L108-D110 PolarHBondContact O-N 3.08Å; L108-V112 HydrophobicContact CB-CG2 4.3Å; L108-V112 HydrophobicContact CD1-CB 3.87Å; L108-V112 HydrophobicContact CD1-CG1 4.25Å; L108-V112 HydrophobicContact CD1-CG2 3.81Å; L108-V127 HydrophobicContact CD1-CG1 4.01Å; L108-C179 HydrophobicContact CD2-CB 4.45Å; L108-C179 VanDerWaalsContact CD2-SG 3.56Å; L108-C179 PolarHBondContact O-SG 2.79Å; L108-C179 VanDerWaalsContact O-SG 3.35Å; L108-L182 HydrophobicContact CD2-CD1 3.81Å; L108-L182 HydrophobicContact CD2-CD2 4Å; L108-L182 HydrophobicContact CD2-CG 3.74Å; L108-L188 HydrophobicContact CD1-CD1 4.48Å; L108-L188 HydrophobicContact CD2-CD1 3.84Å; L108-L188 HydrophobicContact CG-CD1 4.06Å |
| 109 | R | 88.5 | Confident | 84.8 | Confident | 120 Ų | 120 | 36.9 Ų | 36.9 | 45% | 0.453 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 18.7 | -177.3 | -44 | -169.7 | 177.3 | -176.8 | 0.3 | 114.5 | D11 N105 A106 M107 | D11-R109 IonicContact OD2-CZ 2.68Å; D11-R109 IonicContact OD2-NH1 2.65Å; D11-R109 PolarHBondContact OD2-NH1 3.36Å; N105-R109 PolarHBondContact O-N 2.95Å; A106-R109 PolarHBondContact O-N 3.29Å; M107-R109 WeakPolarHBondContact O-CG 3.21Å; M107-R109 PolarHBondContact O-N 3.05Å; M107-R109 VanDerWaalsContact O-N 3.16Å |
| 110 | D | 86.6 | Confident | 83.6 | Confident | 59 Ų | 59 | 37.7 Ų | 37.7 | 32% | 0.316 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -151.8 | 162.1 | 180 | -157.4 | -6.4 | 0 | 0 | 0 | 110 | N105 L108 V112 | N105-D110 CarbonylContact C-O 3.57Å; N105-D110 WeakPolarHBondContact CA-O 3.35Å; N105-D110 WeakPolarHBondContact CB-O 3.4Å; N105-D110 PolarHBondContact O-N 3.17Å; N105-D110 VanDerWaalsContact O-O 3.09Å; N105-D110 PolarHBondContact OD1-O 3.41Å; L108-D110 PolarHBondContact O-N 3.08Å; D110-V112 HydrophobicContact CB-CG2 4.32Å; D110-V112 PolarHBondContact O-N 2.84Å |
| 111 | R | 86.1 | Confident | 82.6 | Confident | 111 Ų | 111 | 37.7 Ų | 37.7 | 42% | 0.419 | 21% | 0.205 | S | C | . | . | trans | -83.3 | 101 | 171.5 | -65.2 | -176.5 | -174.5 | -173.9 | 1.6 | 107.9 | V151 L301 M305 | R111-V151 HydrophobicContact CB-CG2 4.14Å; R111-V151 WeakPolarHBondContact O-CG2 3.29Å; R111-L301 HydrophobicContact CG-CD2 4.37Å; R111-M305 HydrophobicContact CG-CE 3.97Å; R111-M305 HydrophobicContact CG-SD 3.76Å; R111-M305 PolarHBondContact NE-SD 3.47Å | ||
| 112 | V | 86.3 | Confident | 81.8 | Confident | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.018 | 22% | 0.219 | C | C | . | . | trans | -105.4 | -51.8 | 179.2 | -179.8 | 0 | 0 | 0 | 0 | 110.1 | N105 L108 D110 V127 V172 W174 | N105-V112 PolarHBondContact OD1-N 3.36Å; L108-V112 HydrophobicContact CB-CG2 4.3Å; L108-V112 HydrophobicContact CD1-CB 3.87Å; L108-V112 HydrophobicContact CD1-CG1 4.25Å; L108-V112 HydrophobicContact CD1-CG2 3.81Å; D110-V112 HydrophobicContact CB-CG2 4.32Å; D110-V112 PolarHBondContact O-N 2.84Å; V112-V127 HydrophobicContact CG1-CG1 4.18Å; V112-V127 HydrophobicContact CG1-CG2 4.46Å; V112-V172 HydrophobicContact CG1-CG1 4.24Å; V112-W174 HydrophobicContact CG1-CD2 3.96Å; V112-W174 HydrophobicContact CG1-CE3 3.77Å; V112-W174 HydrophobicContact CG1-CG 4.34Å; V112-W174 HydrophobicContact CG1-CZ3 4.23Å; V112-W174 HydrophobicContact CG2-CD2 3.86Å; V112-W174 HydrophobicContact CG2-CE3 4.25Å; V112-W174 HydrophobicContact CG2-CG 4.31Å; V112-W174 HydrophobicContact CG2-CH2 4.26Å; V112-W174 HydrophobicContact CG2-CZ2 3.89Å; V112-W174 HydrophobicContact CG2-CZ3 4.43Å | ||
| 113 | L | 87.9 | Confident | 81.2 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -89.4 | 149.8 | 177.8 | -64.7 | 179.1 | 0 | 0 | 0 | 111.5 | I104 N105 S115 L125 V127 D190 | I104-L113 HydrophobicContact CB-CD1 4.01Å; I104-L113 HydrophobicContact CD1-CD1 3.84Å; I104-L113 HydrophobicContact CG2-CD1 3.63Å; I104-L113 HydrophobicContact CG2-CG 4.45Å; N105-L113 PolarHBondContact ND2-O 3.21Å; N105-L113 PolarHBondContact OD1-N 2.83Å; L113-S115 PolarHBondContact O-N 3.46Å; L113-L125 HydrophobicContact CD2-CB 3.95Å; L113-L125 HydrophobicContact CD2-CD1 3.89Å; L113-V127 HydrophobicContact CD1-CG2 4.11Å; L113-V127 HydrophobicContact CD2-CG2 3.67Å; L113-V127 HydrophobicContact CG-CG2 3.94Å; L113-D190 HydrophobicContact CD1-CB 3.84Å |
| 114 | P | 84.6 | Confident | 80.8 | Confident | 5 Ų | 5 | 39.2 Ų | 39.2 | 3% | 0.032 | 21% | 0.212 | C | C | . | . | trans | -62.7 | 131.6 | 172.2 | 29.3 | -35.5 | 0 | 0 | 0 | 110.3 | S101 L125 V151 A155 L158 | S101-P114 WeakPolarHBondContact CB-O 3.42Å; P114-L125 HydrophobicContact CG-CD1 4.35Å; P114-V151 HydrophobicContact CB-CG1 4.31Å; P114-A155 HydrophobicContact CB-CB 3.96Å; P114-L158 HydrophobicContact CG-CD1 4.17Å | ||
| 115 | S | 79.7 | Confident | 80.6 | Confident | 47 Ų | 47 | 39.2 Ų | 39.2 | 33% | 0.329 | 21% | 0.212 | S | C | . | . | trans | -140.3 | 116.6 | 178.5 | 63 | 0 | 0 | 0 | 0 | 109.3 | L113 | L113-S115 PolarHBondContact O-N 3.46Š| ||
| 116 | G | 71.9 | Confident | 80.6 | Confident | 48 Ų | 48 | 39.4 Ų | 39.4 | 50% | 0.495 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -167 | -173.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 117 | I | 66.6 | Low | 80.6 | Confident | 177 Ų | 177 | 39.4 Ų | 39.4 | 91% | 0.908 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -84 | 129.8 | 176.6 | -60 | 173.3 | 0 | 0 | 0 | 108.5 | ||
| 118 | G | 64.4 | Low | 80.6 | Confident | 32 Ų | 32 | 41 Ų | 41 | 33% | 0.33 | 22% | 0.221 | S | C | . | . | S | Bend | trans | 106.7 | -174.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | T120 | G118-T120 VanDerWaalsContact C-N 3.3Å; G118-T120 PolarHBondContact O-N 3.36Å |
| 119 | H | 65.9 | Low | 80.6 | Confident | 99 Ų | 99 | 41.9 Ų | 41.9 | 46% | 0.458 | 23% | 0.231 | S | C | . | . | trans | -75.1 | 78.6 | 178.2 | -60.3 | -84.2 | 0 | 0 | 0 | 110.6 | T96 T121 N122 H159 | T96-H119 WeakPolarHBondContact CG2-ND1 3.17Å; H119-T121 VanDerWaalsContact C-N 3.28Å; H119-T121 PolarHBondContact O-N 3.5Å; H119-N122 WeakPolarHBondContact CB-OD1 3.31Å; H119-N122 PolarHBondContact O-OD1 3.15Å; H119-H159 PolarHBondContact O-CE1 2.72Å | ||
| 120 | T | 63.8 | Low | 80.6 | Confident | 32 Ų | 32 | 36.7 Ų | 36.7 | 20% | 0.196 | 21% | 0.213 | C | C | . | . | trans | -77.9 | -11.4 | -179 | 43.5 | 0 | 0 | 0 | 0 | 114.4 | G118 | G118-T120 VanDerWaalsContact C-N 3.3Å; G118-T120 PolarHBondContact O-N 3.36Å | ||
| 121 | T | 68.6 | Low | 80.6 | Confident | 13 Ų | 13 | 40.2 Ų | 40.2 | 8% | 0.08 | 23% | 0.231 | C | C | . | . | trans | -135.2 | 98.2 | -179.3 | -57.2 | 0 | 0 | 0 | 0 | 108.5 | H119 C123 L125 D190 | H119-T121 VanDerWaalsContact C-N 3.28Å; H119-T121 PolarHBondContact O-N 3.5Å; T121-C123 WeakPolarHBondContact CG2-O 3.41Å; T121-L125 HydrophobicContact CG2-CD1 3.94Å; T121-L125 HydrophobicContact CG2-CG 4.01Å; T121-D190 PolarHBondContact OG1-OD2 3.49Å | ||
| 122 | N | 74.6 | Confident | 80.5 | Confident | 68 Ų | 68 | 39.1 Ų | 39.1 | 36% | 0.364 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -89.9 | -29.4 | 178.1 | -75.2 | -5.8 | 0 | 0 | 0 | 113 | H119 A166 P192 | H119-N122 WeakPolarHBondContact CB-OD1 3.31Å; H119-N122 PolarHBondContact O-OD1 3.15Å; N122-A166 WeakPolarHBondContact O-CA 3.49Å; N122-A166 WeakPolarHBondContact O-CB 3.25Å; N122-P192 VanDerWaalsContact O-CG 3.3Å; N122-P192 WeakPolarHBondContact O-CG 3.38Å |
| 123 | C | 79.3 | Confident | 80.2 | Confident | 4 Ų | 4 | 47 Ų | 47 | 3% | 0.027 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -120 | 173.4 | -179.5 | 67.7 | 0 | 0 | 0 | 0 | 110.6 | T121 C168 | T121-C123 WeakPolarHBondContact CG2-O 3.41Å; C123-C168 HydrophobicContact CB-CB 4.36Å; C123-C168 WeakPolarHBondContact CB-O 3.38Å |
| 124 | F | 86.6 | Confident | 79.9 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 0% | 0.004 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 133.4 | 176.4 | -77.1 | -98.7 | 0 | 0 | 0 | 111.1 | F93 C168 L169 V170 V189 P192 W203 F207 | F93-F124 HydrophobicContact CE1-CE1 4.12Å; F93-F124 HydrophobicContact CE1-CZ 4.37Å; F93-F124 HydrophobicContact CZ-CE1 4.22Å; F124-C168 PolarHBondContact N-O 3.43Å; F124-L169 HydrophobicContact CB-CD1 3.61Å; F124-V170 PolarHBondContact O-N 3.45Å; F124-V189 HydrophobicContact CD1-CG1 3.77Å; F124-P192 HydrophobicContact CD2-CG 4.21Å; F124-P192 HydrophobicContact CE2-CG 4.18Å; F124-W203 HydrophobicContact CE2-CB 3.95Å; F124-W203 AromaticContact CE2-CD2 3.5Å; F124-W203 HydrophobicContact CE2-CD2 3.5Å; F124-W203 VanDerWaalsContact CE2-CD2 3.5Å; F124-W203 AromaticContact CE2-CE2 3.98Å; F124-W203 AromaticContact CE2-CE3 3.75Å; F124-W203 HydrophobicContact CE2-CE3 3.75Å; F124-W203 AromaticContact CE2-CG 3.61Å; F124-W203 HydrophobicContact CE2-CG 3.61Å; F124-W203 HydrophobicContact CE2-CZ3 4.42Å; F124-W203 HydrophobicContact CZ-CB 3.84Å; F124-W203 AromaticContact CZ-CD2 3.86Å; F124-W203 HydrophobicContact CZ-CD2 3.86Å; F124-W203 AromaticContact CZ-CE3 3.74Å; F124-W203 HydrophobicContact CZ-CE3 3.74Å; F124-W203 AromaticContact CZ-CG 3.94Å; F124-W203 HydrophobicContact CZ-CG 3.94Å; F124-F207 HydrophobicContact CB-CD2 4.46Å; F124-F207 HydrophobicContact CB-CE2 4.46Å; F124-F207 HydrophobicContact CD1-CB 4.3Å; F124-F207 HydrophobicContact CD1-CD2 4.16Å; F124-F207 HydrophobicContact CD1-CG 4.39Å; F124-F207 AromaticContact CD2-CD2 3.43Å; F124-F207 HydrophobicContact CD2-CD2 3.43Å; F124-F207 VanDerWaalsContact CD2-CD2 3.43Å; F124-F207 AromaticContact CD2-CE2 3.52Å; F124-F207 HydrophobicContact CD2-CE2 3.52Å; F124-F207 HydrophobicContact CD2-CG 4.36Å; F124-F207 HydrophobicContact CE1-CB 4.29Å; F124-F207 HydrophobicContact CE1-CD2 4.28Å; F124-F207 AromaticContact CE2-CD2 3.58Å; F124-F207 HydrophobicContact CE2-CD2 3.58Å; F124-F207 AromaticContact CE2-CE2 3.96Å; F124-F207 HydrophobicContact CE2-CE2 3.96Å; F124-F207 AromaticContact CG-CD2 3.75Å; F124-F207 HydrophobicContact CG-CD2 3.75Å; F124-F207 HydrophobicContact CG-CE2 4.05Å; F124-F207 HydrophobicContact CG-CG 4.25Å; F124-F207 HydrophobicContact CZ-CD2 4.02Å |
| 125 | L | 88.8 | Confident | 80 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 111.1 | 176.3 | -54 | 179.2 | 0 | 0 | 0 | 109.6 | L113 P114 T121 L158 V170 V189 D190 | L113-L125 HydrophobicContact CD2-CB 3.95Å; L113-L125 HydrophobicContact CD2-CD1 3.89Å; P114-L125 HydrophobicContact CG-CD1 4.35Å; T121-L125 HydrophobicContact CG2-CD1 3.94Å; T121-L125 HydrophobicContact CG2-CG 4.01Å; L125-L158 HydrophobicContact CD1-CD1 4Å; L125-L158 HydrophobicContact CD2-CD1 3.88Å; L125-L158 HydrophobicContact CD2-CD2 3.9Å; L125-V170 WeakPolarHBondContact CA-O 3.21Å; L125-V170 HydrophobicContact CD2-CB 3.86Å; L125-V170 HydrophobicContact CD2-CG2 4.4Å; L125-V189 CarbonylContact O-C 3.52Å; L125-V189 WeakPolarHBondContact O-CA 3.47Å; L125-D190 HydrophobicContact CB-CB 4.29Å; L125-D190 PolarHBondContact N-O 3.24Å; L125-D190 PolarHBondContact O-N 3.45Å |
| 126 | S | 91.3 | Very high | 80.4 | Confident | 5 Ų | 5 | 53.6 Ų | 53.6 | 4% | 0.035 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 125 | 173.4 | -179.1 | 0 | 0 | 0 | 0 | 109.6 | E128 V170 R171 V172 V187 L188 | S126-E128 PolarHBondContact OG-OE1 3.37Å; S126-V170 PolarHBondContact N-O 3.22Å; S126-R171 CarbonylContact O-C 3.59Å; S126-R171 WeakPolarHBondContact O-CA 3.47Å; S126-V172 PolarHBondContact O-N 3.48Å; S126-V187 WeakPolarHBondContact OG-CG1 3.43Å; S126-L188 CarbonylContact C-O 3.56Å; S126-L188 WeakPolarHBondContact CA-O 3.41Å |
| 127 | V | 91.7 | Very high | 81 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 119.7 | 173.4 | -174.5 | 0 | 0 | 0 | 0 | 109.2 | L108 V112 L113 V172 W174 L182 V187 L188 | L108-V127 HydrophobicContact CD1-CG1 4.01Å; V112-V127 HydrophobicContact CG1-CG1 4.18Å; V112-V127 HydrophobicContact CG1-CG2 4.46Å; L113-V127 HydrophobicContact CD1-CG2 4.11Å; L113-V127 HydrophobicContact CD2-CG2 3.67Å; L113-V127 HydrophobicContact CG-CG2 3.94Å; V127-V172 WeakPolarHBondContact CA-O 3.35Å; V127-W174 HydrophobicContact CG1-CB 4.38Å; V127-L182 HydrophobicContact CG1-CD1 3.91Å; V127-L182 HydrophobicContact CG1-CD2 4.27Å; V127-V187 WeakPolarHBondContact O-CA 3.39Å; V127-L188 PolarHBondContact N-O 3.48Å; V127-L188 PolarHBondContact O-N 3.26Å; V127-L188 VanDerWaalsContact O-N 3.17Å |
| 128 | E | 90.9 | Very high | 82 | Confident | 33 Ų | 33 | 45.1 Ų | 45.1 | 15% | 0.154 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 150.9 | -175.8 | -58.4 | -176.5 | -151.4 | 0 | 0 | 110.5 | S126 R171 V172 F173 W174 V187 | S126-E128 PolarHBondContact OG-OE1 3.37Å; E128-R171 VanDerWaalsContact OE1-CD 3.28Å; E128-R171 WeakPolarHBondContact OE1-CD 3.21Å; E128-R171 IonicContact OE1-NE 2.7Å; E128-V172 PolarHBondContact N-O 3.31Å; E128-F173 HydrophobicContact CB-CD1 3.89Å; E128-F173 HydrophobicContact CB-CE1 3.84Å; E128-F173 HydrophobicContact CG-CE1 4.44Å; E128-F173 WeakPolarHBondContact O-CA 3.27Å; E128-F173 VanDerWaalsContact OE2-CE1 3.31Å; E128-F173 WeakPolarHBondContact OE2-CE1 3.29Å; E128-W174 PolarHBondContact O-N 3.23Å; E128-V187 HydrophobicContact CG-CB 4.48Å; E128-V187 HydrophobicContact CG-CG1 3.9Å; E128-V187 HydrophobicContact CG-CG2 3.86Å |
| 129 | G | 88.8 | Confident | 82.8 | Confident | 22 Ų | 22 | 44.6 Ų | 44.6 | 23% | 0.227 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 122.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | W174 K176 | G129-W174 WeakPolarHBondContact CA-O 3.19Å; G129-K176 WeakPolarHBondContact O-CE 3.42Å |
| 130 | T | 88.2 | Confident | 83.1 | Confident | 12 Ų | 12 | 44.6 Ų | 44.6 | 7% | 0.074 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 148.4 | 168.8 | -177.7 | 0 | 0 | 0 | 0 | 112.3 | E132 Y136 F173 W174 K176 | T130-E132 HydrophobicContact CG2-CB 4.16Å; T130-E132 PolarHBondContact OG1-N 2.9Å; T130-E132 VanDerWaalsContact OG1-N 3.17Å; T130-Y136 HydrophobicContact CG2-CE1 4.3Å; T130-F173 HydrophobicContact CG2-CB 4Å; T130-W174 PolarHBondContact N-O 2.78Å; T130-K176 WeakPolarHBondContact O-CB 3.24Å; T130-K176 WeakPolarHBondContact O-CG 3.29Å; T130-K176 PolarHBondContact O-N 3.1Å |
| 131 | D | 85.8 | Confident | 83.4 | Confident | 132 Ų | 132 | 47.5 Ų | 47.5 | 71% | 0.706 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -77.2 | -10.7 | 172 | -61.8 | -66.4 | 0 | 0 | 0 | 112.5 | K176 | D131-K176 VanDerWaalsContact OD1-CD 3.27Å; D131-K176 WeakPolarHBondContact OD1-CD 3.31Å; D131-K176 IonicContact OD1-NZ 2.73Å; D131-K176 PolarHBondContact OD1-NZ 3.03Å; D131-K176 IonicContact OD2-NZ 2.84Å; D131-K176 PolarHBondContact OD2-NZ 3.33Å |
| 132 | E | 84.6 | Confident | 83.6 | Confident | 88 Ų | 88 | 48.8 Ų | 48.8 | 41% | 0.411 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -72.6 | 152 | 174.1 | -69.7 | 176.7 | -123.8 | 0 | 0 | 113.3 | T130 K134 Y136 P175 | T130-E132 HydrophobicContact CG2-CB 4.16Å; T130-E132 PolarHBondContact OG1-N 2.9Å; T130-E132 VanDerWaalsContact OG1-N 3.17Å; E132-K134 VanDerWaalsContact C-N 3.31Å; E132-K134 PolarHBondContact O-N 3.29Å; E132-Y136 VanDerWaalsContact OE1-CE1 3.3Å; E132-Y136 WeakPolarHBondContact OE1-CE1 3.34Å; E132-Y136 PolarHBondContact OE1-OH 2.92Å; E132-P175 VanDerWaalsContact O-CB 3.29Å; E132-P175 WeakPolarHBondContact O-CB 3.43Å; E132-P175 WeakPolarHBondContact O-CG 3.33Å |
| 133 | E | 80.1 | Confident | 83.4 | Confident | 169 Ų | 169 | 52.7 Ų | 52.7 | 79% | 0.79 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -75 | -18.2 | 177.6 | -62 | -167.3 | 152.5 | 0 | 0 | 114.1 | P175 | E133-P175 VanDerWaalsContact O-CG 3.26Å; E133-P175 WeakPolarHBondContact O-CG 3.31Å |
| 134 | K | 82.8 | Confident | 83.4 | Confident | 158 Ų | 158 | 58.9 Ų | 58.9 | 69% | 0.687 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -107 | 143.9 | -175.7 | -66.4 | 175.8 | -174.3 | 166.1 | 0 | 110.4 | E132 | E132-K134 VanDerWaalsContact C-N 3.31Å; E132-K134 PolarHBondContact O-N 3.29Å |
| 135 | A | 85.7 | Confident | 83.2 | Confident | 6 Ų | 6 | 63.9 Ų | 63.9 | 5% | 0.05 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 141.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | I148 F173 W174 | A135-I148 HydrophobicContact CB-CB 4.3Å; A135-I148 PolarHBondContact O-N 3.37Å; A135-F173 VanDerWaalsContact CA-O 3.24Å; A135-F173 WeakPolarHBondContact CA-O 3.48Å; A135-F173 WeakPolarHBondContact CB-O 3.31Å; A135-W174 HydrophobicContact CB-CD2 4.38Å; A135-W174 HydrophobicContact CB-CE3 3.47Å; A135-W174 VanDerWaalsContact CB-CE3 3.47Å; A135-W174 HydrophobicContact CB-CZ3 3.69Å |
| 136 | Y | 88.1 | Confident | 82.7 | Confident | 26 Ų | 26 | 67.9 Ų | 67.9 | 10% | 0.102 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 166.1 | 175.7 | 60.5 | -96.2 | 0 | 0 | 0 | 110.8 | T130 E132 K138 E145 K146 F173 | T130-Y136 HydrophobicContact CG2-CE1 4.3Å; E132-Y136 VanDerWaalsContact OE1-CE1 3.3Å; E132-Y136 WeakPolarHBondContact OE1-CE1 3.34Å; E132-Y136 PolarHBondContact OE1-OH 2.92Å; Y136-K138 HydrophobicContact CD2-CG 4.43Å; Y136-K138 HydrophobicContact CE2-CG 4.39Å; Y136-E145 HydrophobicContact CD2-CB 4.24Å; Y136-E145 HydrophobicContact CD2-CG 3.91Å; Y136-E145 HydrophobicContact CE2-CG 4.02Å; Y136-E145 HydrophobicContact CG-CB 4.49Å; Y136-K146 WeakPolarHBondContact CA-O 3.47Å; Y136-F173 HydrophobicContact CD1-CB 4.16Å; Y136-F173 HydrophobicContact CD2-CB 3.9Å; Y136-F173 AromaticContact CD2-CD2 3.64Å; Y136-F173 HydrophobicContact CD2-CD2 3.64Å; Y136-F173 HydrophobicContact CD2-CG 4.06Å; Y136-F173 HydrophobicContact CE1-CB 3.94Å; Y136-F173 HydrophobicContact CE1-CG 4.47Å; Y136-F173 HydrophobicContact CE2-CB 3.64Å; Y136-F173 HydrophobicContact CE2-CD1 4.36Å; Y136-F173 AromaticContact CE2-CD2 3.18Å; Y136-F173 HydrophobicContact CE2-CD2 3.18Å; Y136-F173 AromaticContact CE2-CE2 3.91Å; Y136-F173 HydrophobicContact CE2-CE2 3.91Å; Y136-F173 AromaticContact CE2-CG 3.45Å; Y136-F173 HydrophobicContact CE2-CG 3.45Å; Y136-F173 VanDerWaalsContact CE2-CG 3.45Å; Y136-F173 HydrophobicContact CG-CB 4.17Å; Y136-F173 AromaticContact CZ-CD2 3.96Å; Y136-F173 AromaticContact CZ-CG 3.72Å; Y136-F173 PolarHBondContact N-O 3.23Å; Y136-F173 PolarHBondContact O-N 3.16Å |
| 137 | L | 85.4 | Confident | 82.1 | Confident | 13 Ų | 13 | 71.4 Ų | 71.4 | 7% | 0.068 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 150.2 | 171.9 | 69.9 | 101.1 | 0 | 0 | 0 | 111.9 | T139 K146 I148 L154 V170 R171 | L137-T139 HydrophobicContact CD1-CG2 3.89Å; L137-K146 HydrophobicContact CD1-CB 4.15Å; L137-K146 HydrophobicContact CD1-CD 4.15Å; L137-K146 HydrophobicContact CD1-CG 4.28Å; L137-K146 HydrophobicContact CD2-CB 4.19Å; L137-K146 HydrophobicContact CG-CB 3.91Å; L137-K146 PolarHBondContact N-O 3.47Å; L137-K146 PolarHBondContact O-N 3.38Å; L137-K146 VanDerWaalsContact O-N 3.07Å; L137-I148 HydrophobicContact CB-CD1 4.17Å; L137-I148 HydrophobicContact CD2-CD1 4.27Å; L137-I148 HydrophobicContact CD2-CG1 3.96Å; L137-L154 HydrophobicContact CD2-CD1 4.02Å; L137-V170 HydrophobicContact CB-CG1 4.26Å; L137-V170 HydrophobicContact CD1-CG1 4.21Å; L137-R171 CarbonylContact C-O 3.57Å; L137-R171 WeakPolarHBondContact CA-O 3.38Å |
| 138 | K | 86.3 | Confident | 81.2 | Confident | 35 Ų | 35 | 72.6 Ų | 72.6 | 15% | 0.152 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 135.4 | 165.9 | -67.3 | -169.7 | 170 | -173.5 | 0 | 109.2 | Y136 E143 E145 R171 F173 | Y136-K138 HydrophobicContact CD2-CG 4.43Å; Y136-K138 HydrophobicContact CE2-CG 4.39Å; K138-E143 WeakPolarHBondContact CE-O 3.26Å; K138-E143 IonicContact NZ-OE2 3.65Å; K138-E143 PolarHBondContact NZ-OE2 3.41Å; K138-E145 HydrophobicContact CD-CG 4.38Å; K138-E145 WeakPolarHBondContact CE-OE1 2.93Å; K138-E145 HydrophobicContact CG-CG 4.26Å; K138-E145 IonicContact NZ-OE1 3.86Å; K138-E145 PolarHBondContact NZ-OE1 3.37Å; K138-R171 PolarHBondContact N-O 3.28Å; K138-R171 PolarHBondContact O-N 3.06Å; K138-F173 HydrophobicContact CB-CE2 4.32Å; K138-F173 HydrophobicContact CD-CE2 4.18Å; K138-F173 HydrophobicContact CG-CE2 4.15Å |
| 139 | T | 80.9 | Confident | 80 | Confident | 21 Ų | 21 | 79 Ų | 79 | 13% | 0.129 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 146.1 | 176.8 | 47.4 | 0 | 0 | 0 | 0 | 110.3 | L137 G141 S142 L164 V170 | L137-T139 HydrophobicContact CD1-CG2 3.89Å; T139-G141 PolarHBondContact O-N 3.18Å; T139-S142 PolarHBondContact O-N 3.03Å; T139-L164 HydrophobicContact CG2-CD2 4.28Å; T139-V170 HydrophobicContact CG2-CG2 4.38Å |
| 140 | E | 72.4 | Confident | 78.8 | Confident | 98 Ų | 98 | 81.5 Ų | 81.5 | 46% | 0.458 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 123.7 | 176.9 | -162.6 | 173.8 | 177.6 | 0 | 0 | 112 | C168 L169 K206 | E140-C168 WeakPolarHBondContact OE2-CA 3.21Å; E140-L169 WeakPolarHBondContact CB-O 3.2Å; E140-L169 PolarHBondContact N-O 3.32Å; E140-L169 VanDerWaalsContact N-O 3.13Å; E140-L169 PolarHBondContact OE2-N 3.01Å; E140-K206 WeakPolarHBondContact OE1-CE 3.18Å; E140-K206 IonicContact OE1-NZ 3.75Å; E140-K206 PolarHBondContact OE1-NZ 3.25Å; E140-K206 IonicContact OE2-NZ 2.69Å; E140-K206 PolarHBondContact OE2-NZ 2.91Å |
| 141 | G | 69.8 | Low | 77.9 | Confident | 93 Ų | 93 | 82.3 Ų | 82.3 | 96% | 0.959 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.1 | -3.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | T139 | T139-G141 PolarHBondContact O-N 3.18Š|
| 142 | S | 73.1 | Confident | 77.1 | Confident | 40 Ų | 40 | 81.4 Ų | 81.4 | 28% | 0.28 | 43% | 0.425 | S | S | . | . | trans | -131.2 | 131.4 | 172.3 | -176 | 0 | 0 | 0 | 0 | 112.2 | T139 E144 | T139-S142 PolarHBondContact O-N 3.03Å; S142-E144 VanDerWaalsContact C-N 3.25Å; S142-E144 WeakPolarHBondContact OG-CB 3.37Å; S142-E144 WeakPolarHBondContact OG-CG 3.43Å; S142-E144 PolarHBondContact OG-N 3.13Å | ||
| 143 | E | 71.6 | Confident | 76.2 | Confident | 150 Ų | 150 | 82 Ų | 82 | 70% | 0.701 | 43% | 0.427 | S | S | * | . | trans | -81.5 | -0.4 | 171.5 | -77.5 | -67.7 | 161.8 | 0 | 0 | 113 | K138 E145 | K138-E143 WeakPolarHBondContact CE-O 3.26Å; K138-E143 IonicContact NZ-OE2 3.65Å; K138-E143 PolarHBondContact NZ-OE2 3.41Å; E143-E145 PolarHBondContact O-N 3.05Å | ||
| 144 | E | 78.2 | Confident | 75.8 | Confident | 135 Ų | 135 | 74 Ų | 74 | 63% | 0.631 | 39% | 0.39 | S | S | * | . | trans | -66 | 123.9 | 179.6 | -69.3 | -173.2 | 158.4 | 0 | 0 | 112.7 | S142 K146 | S142-E144 VanDerWaalsContact C-N 3.25Å; S142-E144 WeakPolarHBondContact OG-CB 3.37Å; S142-E144 WeakPolarHBondContact OG-CG 3.43Å; S142-E144 PolarHBondContact OG-N 3.13Å; E144-K146 PolarHBondContact O-N 2.96Å | ||
| 145 | E | 82 | Confident | 75.2 | Confident | 105 Ų | 105 | 67.6 Ų | 67.6 | 49% | 0.491 | 37% | 0.367 | S | S | . | . | trans | -88.1 | 100.1 | -178.2 | -70.8 | 167.4 | -175.2 | 0 | 0 | 111.1 | Y136 K138 E143 S147 | Y136-E145 HydrophobicContact CD2-CB 4.24Å; Y136-E145 HydrophobicContact CD2-CG 3.91Å; Y136-E145 HydrophobicContact CE2-CG 4.02Å; Y136-E145 HydrophobicContact CG-CB 4.49Å; K138-E145 HydrophobicContact CD-CG 4.38Å; K138-E145 WeakPolarHBondContact CE-OE1 2.93Å; K138-E145 HydrophobicContact CG-CG 4.26Å; K138-E145 IonicContact NZ-OE1 3.86Å; K138-E145 PolarHBondContact NZ-OE1 3.37Å; E143-E145 PolarHBondContact O-N 3.05Å; E145-S147 PolarHBondContact O-N 2.88Å | ||
| 146 | K | 79.8 | Confident | 74.4 | Confident | 85 Ų | 85 | 73.3 Ų | 73.3 | 37% | 0.37 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 111.1 | 175.9 | -44.1 | -177 | -170 | 170.7 | 0 | 109.1 | Y136 L137 E144 | Y136-K146 WeakPolarHBondContact CA-O 3.47Å; L137-K146 HydrophobicContact CD1-CB 4.15Å; L137-K146 HydrophobicContact CD1-CD 4.15Å; L137-K146 HydrophobicContact CD1-CG 4.28Å; L137-K146 HydrophobicContact CD2-CB 4.19Å; L137-K146 HydrophobicContact CG-CB 3.91Å; L137-K146 PolarHBondContact N-O 3.47Å; L137-K146 PolarHBondContact O-N 3.38Å; L137-K146 VanDerWaalsContact O-N 3.07Å; E144-K146 PolarHBondContact O-N 2.96Å |
| 147 | S | 77.8 | Confident | 73.4 | Confident | 79 Ų | 79 | 74.4 Ų | 74.4 | 55% | 0.552 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 132.4 | -176.8 | 72 | 0 | 0 | 0 | 0 | 112.7 | E145 | E145-S147 PolarHBondContact O-N 2.88Å |
| 148 | I | 72.1 | Confident | 72.6 | Confident | 24 Ų | 24 | 74.7 Ų | 74.7 | 12% | 0.123 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 119 | 177.1 | -56.8 | 168.4 | 0 | 0 | 0 | 109.6 | A135 L137 L154 V172 | A135-I148 HydrophobicContact CB-CB 4.3Å; A135-I148 PolarHBondContact O-N 3.37Å; L137-I148 HydrophobicContact CB-CD1 4.17Å; L137-I148 HydrophobicContact CD2-CD1 4.27Å; L137-I148 HydrophobicContact CD2-CG1 3.96Å; I148-L154 HydrophobicContact CD1-CD1 4.5Å; I148-V172 HydrophobicContact CD1-CG1 3.87Å |
| 149 | K | 65.7 | Low | 71.7 | Confident | 169 Ų | 169 | 77.4 Ų | 77.4 | 74% | 0.735 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -99 | -23.3 | 170.6 | -57.8 | 178.2 | -177.7 | 173.2 | 0 | 113 | ||
| 150 | T | 64.8 | Low | 70.7 | Confident | 74 Ų | 74 | 83.5 Ų | 83.5 | 45% | 0.454 | 45% | 0.45 | S | S | . | . | trans | -156.7 | 144.8 | -179.6 | -48.7 | 0 | 0 | 0 | 0 | 111.3 | N152 Q153 L154 | T150-N152 HydrophobicContact CG2-CB 4.34Å; T150-N152 PolarHBondContact O-N 2.81Å; T150-Q153 WeakPolarHBondContact O-CB 3.24Å; T150-Q153 PolarHBondContact O-N 3.47Å; T150-L154 PolarHBondContact O-N 3.1Å | ||
| 151 | V | 68.9 | Low | 70.3 | Confident | 29 Ų | 29 | 81.3 Ų | 81.3 | 18% | 0.176 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -53.9 | -35.4 | 177.1 | -172.2 | 0 | 0 | 0 | 0 | 112.8 | R111 P114 Q153 L154 A155 | R111-V151 HydrophobicContact CB-CG2 4.14Å; R111-V151 WeakPolarHBondContact O-CG2 3.29Å; P114-V151 HydrophobicContact CB-CG1 4.31Å; V151-Q153 PolarHBondContact O-N 2.91Å; V151-L154 WeakPolarHBondContact O-CA 3.4Å; V151-L154 WeakPolarHBondContact O-CB 3.27Å; V151-L154 PolarHBondContact O-N 3.38Å; V151-L154 VanDerWaalsContact O-N 3.08Å; V151-A155 PolarHBondContact O-N 2.64Å |
| 152 | N | 68.4 | Low | 69.5 | Low | 112 Ų | 112 | 86.6 Ų | 86.6 | 60% | 0.599 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -63.2 | -31 | 177.4 | -61.5 | 3.8 | 0 | 0 | 0 | 112.2 | T150 A155 H156 | T150-N152 HydrophobicContact CG2-CB 4.34Å; T150-N152 PolarHBondContact O-N 2.81Å; N152-A155 PolarHBondContact O-N 3.41Å; N152-H156 PolarHBondContact O-CD2 3.17Å; N152-H156 PolarHBondContact O-N 3.41Å |
| 153 | Q | 66.6 | Low | 68.7 | Low | 100 Ų | 100 | 88.8 Ų | 88.8 | 47% | 0.467 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -71.4 | -35.9 | 174.1 | -62.5 | 175.9 | -28.2 | 0 | 0 | 111.3 | T150 V151 A157 | T150-Q153 WeakPolarHBondContact O-CB 3.24Å; T150-Q153 PolarHBondContact O-N 3.47Å; V151-Q153 PolarHBondContact O-N 2.91Å; Q153-A157 VanDerWaalsContact O-CB 3.26Å; Q153-A157 WeakPolarHBondContact O-CB 3.45Å; Q153-A157 PolarHBondContact O-N 2.92Å |
| 154 | L | 72.4 | Confident | 68.3 | Low | 2 Ų | 2 | 83 Ų | 83 | 1% | 0.01 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -64 | -46.3 | 171.8 | 178.8 | 62.8 | 0 | 0 | 0 | 110.6 | L137 I148 T150 V151 H156 A157 L158 V172 | L137-L154 HydrophobicContact CD2-CD1 4.02Å; I148-L154 HydrophobicContact CD1-CD1 4.5Å; T150-L154 PolarHBondContact O-N 3.1Å; V151-L154 WeakPolarHBondContact O-CA 3.4Å; V151-L154 WeakPolarHBondContact O-CB 3.27Å; V151-L154 PolarHBondContact O-N 3.38Å; V151-L154 VanDerWaalsContact O-N 3.08Å; L154-H156 PolarHBondContact O-N 2.94Å; L154-A157 PolarHBondContact O-N 3.47Å; L154-L158 HydrophobicContact CD1-CD1 3.99Å; L154-L158 HydrophobicContact CD1-CG 4.13Å; L154-L158 HydrophobicContact CG-CD1 3.95Å; L154-L158 HydrophobicContact CG-CG 4.49Å; L154-L158 WeakPolarHBondContact O-CB 3.11Å; L154-L158 VanDerWaalsContact O-CG 3.25Å; L154-L158 WeakPolarHBondContact O-CG 3.27Å; L154-L158 PolarHBondContact O-N 3.41Å; L154-V172 HydrophobicContact CD1-CG2 4.49Å; L154-V172 HydrophobicContact CD2-CG2 4.23Å |
| 155 | A | 70.2 | Confident | 67.6 | Low | 24 Ų | 24 | 81.7 Ų | 81.7 | 20% | 0.198 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -57.4 | -47.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | P114 V151 N152 L158 H159 | P114-A155 HydrophobicContact CB-CB 3.96Å; V151-A155 PolarHBondContact O-N 2.64Å; N152-A155 PolarHBondContact O-N 3.41Å; A155-L158 PolarHBondContact O-N 3.31Å; A155-H159 WeakPolarHBondContact O-CB 3.38Å; A155-H159 PolarHBondContact O-CD2 2.92Å; A155-H159 PolarHBondContact O-N 2.84Å |
| 156 | H | 68.2 | Low | 66.6 | Low | 126 Ų | 126 | 78 Ų | 78 | 58% | 0.583 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -65.4 | -39.6 | 176.8 | -78.8 | -64.1 | 0 | 0 | 0 | 112.7 | N152 L154 H159 M160 | N152-H156 PolarHBondContact O-CD2 3.17Å; N152-H156 PolarHBondContact O-N 3.41Å; L154-H156 PolarHBondContact O-N 2.94Å; H156-H159 PolarHBondContact O-N 2.85Å; H156-M160 WeakPolarHBondContact O-CB 3.37Å; H156-M160 WeakPolarHBondContact O-CG 3.48Å; H156-M160 PolarHBondContact O-N 3.15Å |
| 157 | A | 66.3 | Low | 65.9 | Low | 48 Ų | 48 | 74.8 Ų | 74.8 | 40% | 0.397 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.4 | -41.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q153 L154 H159 D161 | Q153-A157 VanDerWaalsContact O-CB 3.26Å; Q153-A157 WeakPolarHBondContact O-CB 3.45Å; Q153-A157 PolarHBondContact O-N 2.92Å; L154-A157 PolarHBondContact O-N 3.47Å; A157-H159 VanDerWaalsContact C-N 3.26Å; A157-H159 PolarHBondContact O-N 3.31Å; A157-D161 WeakPolarHBondContact O-CB 3.08Å; A157-D161 PolarHBondContact O-N 3.23Å |
| 158 | L | 69.5 | Low | 65.9 | Low | 20 Ų | 20 | 72.2 Ų | 72.2 | 11% | 0.105 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -69.5 | -19.8 | 177.3 | -66.9 | 170.1 | 0 | 0 | 0 | 113.7 | P114 L125 L154 A155 L164 V170 | P114-L158 HydrophobicContact CG-CD1 4.17Å; L125-L158 HydrophobicContact CD1-CD1 4Å; L125-L158 HydrophobicContact CD2-CD1 3.88Å; L125-L158 HydrophobicContact CD2-CD2 3.9Å; L154-L158 HydrophobicContact CD1-CD1 3.99Å; L154-L158 HydrophobicContact CD1-CG 4.13Å; L154-L158 HydrophobicContact CG-CD1 3.95Å; L154-L158 HydrophobicContact CG-CG 4.49Å; L154-L158 WeakPolarHBondContact O-CB 3.11Å; L154-L158 VanDerWaalsContact O-CG 3.25Å; L154-L158 WeakPolarHBondContact O-CG 3.27Å; L154-L158 PolarHBondContact O-N 3.41Å; A155-L158 PolarHBondContact O-N 3.31Å; L158-L164 HydrophobicContact CD2-CD1 4.05Å; L158-V170 HydrophobicContact CD2-CB 4.47Å; L158-V170 HydrophobicContact CD2-CG2 3.95Å |
| 159 | H | 67.3 | Low | 66.5 | Low | 92 Ų | 92 | 72.3 Ų | 72.3 | 43% | 0.426 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -100.3 | -19 | -179.3 | -80.5 | -53.4 | 0 | 0 | 0 | 115 | H119 A155 H156 A157 | H119-H159 PolarHBondContact O-CE1 2.72Å; A155-H159 WeakPolarHBondContact O-CB 3.38Å; A155-H159 PolarHBondContact O-CD2 2.92Å; A155-H159 PolarHBondContact O-N 2.84Å; H156-H159 PolarHBondContact O-N 2.85Å; A157-H159 VanDerWaalsContact C-N 3.26Å; A157-H159 PolarHBondContact O-N 3.31Å |
| 160 | M | 59.6 | Low | 67.5 | Low | 148 Ų | 148 | 64.3 Ų | 64.3 | 73% | 0.729 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -102.5 | -10.4 | -176.4 | -60.8 | -81.3 | 79.5 | 0 | 0 | 113.5 | H156 E162 | H156-M160 WeakPolarHBondContact O-CB 3.37Å; H156-M160 WeakPolarHBondContact O-CG 3.48Å; H156-M160 PolarHBondContact O-N 3.15Å; M160-E162 PolarHBondContact O-N 3.04Å |
| 161 | D | 63.2 | Low | 68.6 | Low | 53 Ų | 53 | 66.4 Ų | 66.4 | 28% | 0.283 | 35% | 0.353 | S | S | . | . | trans | -93.6 | 94.4 | -179.1 | -160 | -26 | 0 | 0 | 0 | 109.9 | A157 S163 L164 | A157-D161 WeakPolarHBondContact O-CB 3.08Å; A157-D161 PolarHBondContact O-N 3.23Å; D161-S163 PolarHBondContact O-N 3.48Å; D161-S163 WeakPolarHBondContact OD1-CB 3.42Å; D161-S163 PolarHBondContact OD1-N 3.31Å; D161-S163 PolarHBondContact OD1-OG 3.36Å; D161-L164 HydrophobicContact CB-CD1 3.89Å; D161-L164 HydrophobicContact CB-CG 4Å; D161-L164 PolarHBondContact O-N 2.88Å; D161-L164 VanDerWaalsContact O-N 3.09Å | ||
| 162 | E | 54.9 | Low | 69.6 | Low | 204 Ų | 204 | 65 Ų | 65 | 95% | 0.953 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -10.8 | 179.2 | -66.7 | -174.2 | 156 | 0 | 0 | 113.5 | M160 | M160-E162 PolarHBondContact O-N 3.04Š|
| 163 | S | 55.1 | Low | 70.6 | Confident | 86 Ų | 86 | 61 Ų | 61 | 60% | 0.601 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -13.3 | 176 | 76.1 | 0 | 0 | 0 | 0 | 114.4 | D161 D165 | D161-S163 PolarHBondContact O-N 3.48Å; D161-S163 WeakPolarHBondContact OD1-CB 3.42Å; D161-S163 PolarHBondContact OD1-N 3.31Å; D161-S163 PolarHBondContact OD1-OG 3.36Å; S163-D165 PolarHBondContact O-N 2.97Å; S163-D165 VanDerWaalsContact O-N 3.14Å |
| 164 | L | 62.9 | Low | 71.7 | Confident | 29 Ų | 29 | 57.4 Ų | 57.4 | 15% | 0.152 | 30% | 0.304 | C | S | . | . | trans | -86.4 | 78.9 | -179.4 | -64.8 | 179.5 | 0 | 0 | 0 | 111.7 | T139 L158 D161 C168 V170 | T139-L164 HydrophobicContact CG2-CD2 4.28Å; L158-L164 HydrophobicContact CD2-CD1 4.05Å; D161-L164 HydrophobicContact CB-CD1 3.89Å; D161-L164 HydrophobicContact CB-CG 4Å; D161-L164 PolarHBondContact O-N 2.88Å; D161-L164 VanDerWaalsContact O-N 3.09Å; L164-C168 HydrophobicContact CD2-CB 4.39Å; L164-V170 HydrophobicContact CD1-CG2 4.44Å; L164-V170 HydrophobicContact CD2-CG2 4.25Å | ||
| 165 | D | 64 | Low | 72.4 | Confident | 107 Ų | 107 | 57.3 Ų | 57.3 | 57% | 0.572 | 30% | 0.304 | S | S | * | . | trans | -65.1 | 160.6 | 170.4 | -176.7 | 37.4 | 0 | 0 | 0 | 112 | S163 G167 C168 | S163-D165 PolarHBondContact O-N 2.97Å; S163-D165 VanDerWaalsContact O-N 3.14Å; D165-G167 PolarHBondContact O-N 3.11Å; D165-C168 WeakPolarHBondContact O-CB 3.3Å; D165-C168 PolarHBondContact O-N 2.66Å | ||
| 166 | A | 60.4 | Low | 73.2 | Confident | 26 Ų | 26 | 58.1 Ų | 58.1 | 22% | 0.215 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -14 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | N122 W203 | N122-A166 WeakPolarHBondContact O-CA 3.49Å; N122-A166 WeakPolarHBondContact O-CB 3.25Å; A166-W203 HydrophobicContact CB-CZ2 3.75Å; A166-W203 WeakPolarHBondContact O-CZ2 3.44Å; A166-W203 PolarHBondContact O-NE1 2.8Å |
| 167 | G | 64.9 | Low | 73.8 | Confident | 18 Ų | 18 | 57.7 Ų | 57.7 | 19% | 0.186 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 3.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | D165 K206 F207 | D165-G167 PolarHBondContact O-N 3.11Å; G167-K206 PolarHBondContact O-NZ 2.76Å; G167-F207 WeakPolarHBondContact O-CE2 3.14Å; G167-F207 VanDerWaalsContact O-CZ 3.28Å; G167-F207 WeakPolarHBondContact O-CZ 3.41Å |
| 168 | C | 78.3 | Confident | 74.4 | Confident | 26 Ų | 26 | 60 Ų | 60 | 18% | 0.176 | 31% | 0.31 | C | S | . | . | trans | -87 | 152.3 | -179.5 | -67.6 | 0 | 0 | 0 | 0 | 113.6 | C123 F124 E140 L164 D165 | C123-C168 HydrophobicContact CB-CB 4.36Å; C123-C168 WeakPolarHBondContact CB-O 3.38Å; F124-C168 PolarHBondContact N-O 3.43Å; E140-C168 WeakPolarHBondContact OE2-CA 3.21Å; L164-C168 HydrophobicContact CD2-CB 4.39Å; D165-C168 WeakPolarHBondContact O-CB 3.3Å; D165-C168 PolarHBondContact O-N 2.66Å | ||
| 169 | L | 84.4 | Confident | 74.9 | Confident | 25 Ų | 25 | 59.2 Ų | 59.2 | 13% | 0.131 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 125.3 | 170.4 | -174.5 | 67 | 0 | 0 | 0 | 112.1 | F124 E140 R171 F207 | F124-L169 HydrophobicContact CB-CD1 3.61Å; E140-L169 WeakPolarHBondContact CB-O 3.2Å; E140-L169 PolarHBondContact N-O 3.32Å; E140-L169 VanDerWaalsContact N-O 3.13Å; E140-L169 PolarHBondContact OE2-N 3.01Å; L169-R171 HydrophobicContact CD2-CG 4.42Å; L169-R171 HydrophobicContact CG-CG 4.47Å; L169-F207 HydrophobicContact CB-CD1 4.43Å; L169-F207 HydrophobicContact CB-CE1 3.57Å; L169-F207 HydrophobicContact CB-CZ 3.86Å; L169-F207 HydrophobicContact CD1-CD1 4.44Å; L169-F207 HydrophobicContact CD1-CE1 4.35Å; L169-F207 HydrophobicContact CD2-CD1 4.35Å; L169-F207 HydrophobicContact CD2-CE1 4.1Å; L169-F207 HydrophobicContact CG-CE1 4.23Å |
| 170 | V | 86.3 | Confident | 75.5 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.006 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 125.7 | 169 | -176.7 | 0 | 0 | 0 | 0 | 108.8 | F124 L125 S126 L137 T139 L158 L164 | F124-V170 PolarHBondContact O-N 3.45Å; L125-V170 WeakPolarHBondContact CA-O 3.21Å; L125-V170 HydrophobicContact CD2-CB 3.86Å; L125-V170 HydrophobicContact CD2-CG2 4.4Å; S126-V170 PolarHBondContact N-O 3.22Å; L137-V170 HydrophobicContact CB-CG1 4.26Å; L137-V170 HydrophobicContact CD1-CG1 4.21Å; T139-V170 HydrophobicContact CG2-CG2 4.38Å; L158-V170 HydrophobicContact CD2-CB 4.47Å; L158-V170 HydrophobicContact CD2-CG2 3.95Å; L164-V170 HydrophobicContact CD1-CG2 4.44Å; L164-V170 HydrophobicContact CD2-CG2 4.25Å |
| 171 | R | 88.9 | Confident | 76.6 | Confident | 118 Ų | 118 | 50.7 Ų | 50.7 | 45% | 0.445 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 123.9 | 176.1 | -62.2 | -179.1 | -173 | 176.3 | 6.2 | 109.4 | S126 E128 L137 K138 L169 F173 | S126-R171 CarbonylContact O-C 3.59Å; S126-R171 WeakPolarHBondContact O-CA 3.47Å; E128-R171 VanDerWaalsContact OE1-CD 3.28Å; E128-R171 WeakPolarHBondContact OE1-CD 3.21Å; E128-R171 IonicContact OE1-NE 2.7Å; L137-R171 CarbonylContact C-O 3.57Å; L137-R171 WeakPolarHBondContact CA-O 3.38Å; K138-R171 PolarHBondContact N-O 3.28Å; K138-R171 PolarHBondContact O-N 3.06Å; L169-R171 HydrophobicContact CD2-CG 4.42Å; L169-R171 HydrophobicContact CG-CG 4.47Å; R171-F173 HydrophobicContact CB-CD2 4.38Å; R171-F173 HydrophobicContact CB-CE2 3.68Å; R171-F173 HydrophobicContact CB-CZ 4.17Å |
| 172 | V | 89.4 | Confident | 77.5 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 107.3 | 178.7 | 178.7 | 0 | 0 | 0 | 0 | 107.8 | V112 S126 V127 E128 I148 L154 | V112-V172 HydrophobicContact CG1-CG1 4.24Å; S126-V172 PolarHBondContact O-N 3.48Å; V127-V172 WeakPolarHBondContact CA-O 3.35Å; E128-V172 PolarHBondContact N-O 3.31Å; I148-V172 HydrophobicContact CD1-CG1 3.87Å; L154-V172 HydrophobicContact CD1-CG2 4.49Å; L154-V172 HydrophobicContact CD2-CG2 4.23Å |
| 173 | F | 89.9 | Confident | 78.8 | Confident | 27 Ų | 27 | 44.9 Ų | 44.9 | 12% | 0.118 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 117.7 | 178.1 | -69.3 | -85.3 | 0 | 0 | 0 | 109.3 | E128 T130 A135 Y136 K138 R171 | E128-F173 HydrophobicContact CB-CD1 3.89Å; E128-F173 HydrophobicContact CB-CE1 3.84Å; E128-F173 HydrophobicContact CG-CE1 4.44Å; E128-F173 WeakPolarHBondContact O-CA 3.27Å; E128-F173 VanDerWaalsContact OE2-CE1 3.31Å; E128-F173 WeakPolarHBondContact OE2-CE1 3.29Å; T130-F173 HydrophobicContact CG2-CB 4Å; A135-F173 VanDerWaalsContact CA-O 3.24Å; A135-F173 WeakPolarHBondContact CA-O 3.48Å; A135-F173 WeakPolarHBondContact CB-O 3.31Å; Y136-F173 HydrophobicContact CD1-CB 4.16Å; Y136-F173 HydrophobicContact CD2-CB 3.9Å; Y136-F173 AromaticContact CD2-CD2 3.64Å; Y136-F173 HydrophobicContact CD2-CD2 3.64Å; Y136-F173 HydrophobicContact CD2-CG 4.06Å; Y136-F173 HydrophobicContact CE1-CB 3.94Å; Y136-F173 HydrophobicContact CE1-CG 4.47Å; Y136-F173 HydrophobicContact CE2-CB 3.64Å; Y136-F173 HydrophobicContact CE2-CD1 4.36Å; Y136-F173 AromaticContact CE2-CD2 3.18Å; Y136-F173 HydrophobicContact CE2-CD2 3.18Å; Y136-F173 AromaticContact CE2-CE2 3.91Å; Y136-F173 HydrophobicContact CE2-CE2 3.91Å; Y136-F173 AromaticContact CE2-CG 3.45Å; Y136-F173 HydrophobicContact CE2-CG 3.45Å; Y136-F173 VanDerWaalsContact CE2-CG 3.45Å; Y136-F173 HydrophobicContact CG-CB 4.17Å; Y136-F173 AromaticContact CZ-CD2 3.96Å; Y136-F173 AromaticContact CZ-CG 3.72Å; Y136-F173 PolarHBondContact N-O 3.23Å; Y136-F173 PolarHBondContact O-N 3.16Å; K138-F173 HydrophobicContact CB-CE2 4.32Å; K138-F173 HydrophobicContact CD-CE2 4.18Å; K138-F173 HydrophobicContact CG-CE2 4.15Å; R171-F173 HydrophobicContact CB-CD2 4.38Å; R171-F173 HydrophobicContact CB-CE2 3.68Å; R171-F173 HydrophobicContact CB-CZ 4.17Å |
| 174 | W | 89.1 | Confident | 80.2 | Confident | 24 Ų | 24 | 41.7 Ų | 41.7 | 9% | 0.091 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 137.2 | -176.9 | -164.9 | -101.6 | 0 | 0 | 0 | 111.8 | V112 V127 E128 G129 T130 A135 K176 K178 L182 | V112-W174 HydrophobicContact CG1-CD2 3.96Å; V112-W174 HydrophobicContact CG1-CE3 3.77Å; V112-W174 HydrophobicContact CG1-CG 4.34Å; V112-W174 HydrophobicContact CG1-CZ3 4.23Å; V112-W174 HydrophobicContact CG2-CD2 3.86Å; V112-W174 HydrophobicContact CG2-CE3 4.25Å; V112-W174 HydrophobicContact CG2-CG 4.31Å; V112-W174 HydrophobicContact CG2-CH2 4.26Å; V112-W174 HydrophobicContact CG2-CZ2 3.89Å; V112-W174 HydrophobicContact CG2-CZ3 4.43Å; V127-W174 HydrophobicContact CG1-CB 4.38Å; E128-W174 PolarHBondContact O-N 3.23Å; G129-W174 WeakPolarHBondContact CA-O 3.19Å; T130-W174 PolarHBondContact N-O 2.78Å; A135-W174 HydrophobicContact CB-CD2 4.38Å; A135-W174 HydrophobicContact CB-CE3 3.47Å; A135-W174 VanDerWaalsContact CB-CE3 3.47Å; A135-W174 HydrophobicContact CB-CZ3 3.69Å; W174-K176 PolarHBondContact O-N 3.18Å; W174-K178 HydrophobicContact CZ2-CD 4.07Å; W174-L182 HydrophobicContact CB-CD1 3.81Å; W174-L182 HydrophobicContact CG-CD1 4.32Å |
| 175 | P | 88.2 | Confident | 81.2 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 121.5 | -176.8 | -29.4 | 36.2 | 0 | 0 | 0 | 114 | E132 E133 T177 K178 | E132-P175 VanDerWaalsContact O-CB 3.29Å; E132-P175 WeakPolarHBondContact O-CB 3.43Å; E132-P175 WeakPolarHBondContact O-CG 3.33Å; E133-P175 VanDerWaalsContact O-CG 3.26Å; E133-P175 WeakPolarHBondContact O-CG 3.31Å; P175-T177 PolarHBondContact O-N 3.27Å; P175-T177 VanDerWaalsContact O-N 3.07Å; P175-K178 HydrophobicContact CB-CD 4.17Å; P175-K178 HydrophobicContact CB-CG 4.21Å; P175-K178 HydrophobicContact CG-CD 4.26Å; P175-K178 PolarHBondContact O-N 3.29Å |
| 176 | K | 85.7 | Confident | 82.4 | Confident | 42 Ų | 42 | 37.4 Ų | 37.4 | 18% | 0.183 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -24.1 | 174 | -80.4 | -179.5 | -159.8 | 169.1 | 0 | 113.6 | G129 T130 D131 W174 K178 R183 | G129-K176 WeakPolarHBondContact O-CE 3.42Å; T130-K176 WeakPolarHBondContact O-CB 3.24Å; T130-K176 WeakPolarHBondContact O-CG 3.29Å; T130-K176 PolarHBondContact O-N 3.1Å; D131-K176 VanDerWaalsContact OD1-CD 3.27Å; D131-K176 WeakPolarHBondContact OD1-CD 3.31Å; D131-K176 IonicContact OD1-NZ 2.73Å; D131-K176 PolarHBondContact OD1-NZ 3.03Å; D131-K176 IonicContact OD2-NZ 2.84Å; D131-K176 PolarHBondContact OD2-NZ 3.33Å; W174-K176 PolarHBondContact O-N 3.18Å; K176-K178 VanDerWaalsContact C-N 3.29Å; K176-K178 PolarHBondContact O-N 3.09Å; K176-R183 HydrophobicContact CB-CG 3.96Å; K176-R183 HydrophobicContact CG-CG 4.38Å; K176-R183 VanDerWaalsContact O-CD 3.3Å; K176-R183 WeakPolarHBondContact O-CD 3.4Å; K176-R183 WeakPolarHBondContact O-CG 3.48Å |
| 177 | T | 82.6 | Confident | 84 | Confident | 116 Ų | 116 | 36.5 Ų | 36.5 | 71% | 0.712 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69 | -23.6 | 175.6 | 54.9 | 0 | 0 | 0 | 0 | 113.6 | P175 | P175-T177 PolarHBondContact O-N 3.27Å; P175-T177 VanDerWaalsContact O-N 3.07Å |
| 178 | K | 78.9 | Confident | 85.3 | Confident | 96 Ų | 96 | 35.6 Ų | 35.6 | 42% | 0.417 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -37.2 | -174.7 | -66 | 179.1 | -177.2 | 176.9 | 0 | 113.5 | R9 W174 P175 K176 | R9-K178 PolarHBondContact NH1-O 3.18Å; W174-K178 HydrophobicContact CZ2-CD 4.07Å; P175-K178 HydrophobicContact CB-CD 4.17Å; P175-K178 HydrophobicContact CB-CG 4.21Å; P175-K178 HydrophobicContact CG-CD 4.26Å; P175-K178 PolarHBondContact O-N 3.29Å; K176-K178 VanDerWaalsContact C-N 3.29Å; K176-K178 PolarHBondContact O-N 3.09Å |
| 179 | C | 78.8 | Confident | 85.9 | Confident | 5 Ų | 5 | 34.5 Ų | 34.5 | 3% | 0.034 | 17% | 0.167 | C | C | . | . | trans | -119.6 | 132.2 | -175.8 | -171.6 | 0 | 0 | 0 | 0 | 111.4 | L108 L182 | L108-C179 HydrophobicContact CD2-CB 4.45Å; L108-C179 VanDerWaalsContact CD2-SG 3.56Å; L108-C179 PolarHBondContact O-SG 2.79Å; L108-C179 VanDerWaalsContact O-SG 3.35Å; C179-L182 HydrophobicContact CB-CB 4.46Å; C179-L182 HydrophobicContact CB-CD1 4.2Å; C179-L182 HydrophobicContact CB-CG 4.26Å | ||
| 180 | A | 79.5 | Confident | 86.3 | Confident | 47 Ų | 47 | 33.3 Ų | 33.3 | 39% | 0.388 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -68.3 | -43.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L182 R183 | A180-L182 PolarHBondContact O-N 3.44Å; A180-R183 WeakPolarHBondContact O-CB 3.42Å; A180-R183 PolarHBondContact O-N 3.46Å; A180-R183 PolarHBondContact O-NE 3.21Å |
| 181 | L | 82.4 | Confident | 86.4 | Confident | 13 Ų | 13 | 33.3 Ų | 33.3 | 7% | 0.068 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -60.1 | -43.1 | -174.7 | -65.2 | 171.4 | 0 | 0 | 0 | 112.7 | L20 M107 R183 D184 L186 E337 | L20-L181 HydrophobicContact CD1-CD2 3.66Å; M107-L181 HydrophobicContact CB-CD1 3.95Å; M107-L181 WeakPolarHBondContact O-CD1 3.35Å; L181-R183 PolarHBondContact O-N 3.44Å; L181-D184 PolarHBondContact O-N 2.91Å; L181-L186 HydrophobicContact CB-CD2 4.1Å; L181-L186 WeakPolarHBondContact O-CB 3.46Å; L181-E337 HydrophobicContact CD2-CG 4.33Å; L181-E337 WeakPolarHBondContact CD2-OE1 3.43Å |
| 182 | L | 84 | Confident | 86.2 | Confident | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -72.4 | -7.2 | -178.1 | -61.4 | 180 | 0 | 0 | 0 | 114 | L108 V127 W174 C179 A180 L186 | L108-L182 HydrophobicContact CD2-CD1 3.81Å; L108-L182 HydrophobicContact CD2-CD2 4Å; L108-L182 HydrophobicContact CD2-CG 3.74Å; V127-L182 HydrophobicContact CG1-CD1 3.91Å; V127-L182 HydrophobicContact CG1-CD2 4.27Å; W174-L182 HydrophobicContact CB-CD1 3.81Å; W174-L182 HydrophobicContact CG-CD1 4.32Å; C179-L182 HydrophobicContact CB-CB 4.46Å; C179-L182 HydrophobicContact CB-CD1 4.2Å; C179-L182 HydrophobicContact CB-CG 4.26Å; A180-L182 PolarHBondContact O-N 3.44Å; L182-L186 WeakPolarHBondContact CD2-O 3.31Å |
| 183 | R | 82 | Confident | 86 | Confident | 135 Ų | 135 | 27.9 Ų | 27.9 | 51% | 0.509 | 14% | 0.142 | S | C | . | . | G | 310 helix | trans | -76.5 | -29 | 174.5 | -65.3 | -175.2 | -61.7 | -169 | -1.4 | 112.8 | K176 A180 L181 D185 | K176-R183 HydrophobicContact CB-CG 3.96Å; K176-R183 HydrophobicContact CG-CG 4.38Å; K176-R183 VanDerWaalsContact O-CD 3.3Å; K176-R183 WeakPolarHBondContact O-CD 3.4Å; K176-R183 WeakPolarHBondContact O-CG 3.48Å; A180-R183 WeakPolarHBondContact O-CB 3.42Å; A180-R183 PolarHBondContact O-N 3.46Å; A180-R183 PolarHBondContact O-NE 3.21Å; L181-R183 PolarHBondContact O-N 3.44Å; R183-D185 VanDerWaalsContact C-N 3.32Å; R183-D185 PolarHBondContact O-N 3Å |
| 184 | D | 83.6 | Confident | 85.7 | Confident | 18 Ų | 18 | 26.9 Ų | 26.9 | 10% | 0.096 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 42.7 | -169.1 | -62.4 | -51.2 | 0 | 0 | 0 | 111.1 | L20 V24 M88 L181 L186 | L20-D184 HydrophobicContact CB-CB 3.63Å; L20-D184 HydrophobicContact CD1-CB 4.45Å; V24-D184 HydrophobicContact CG2-CB 3.76Å; M88-D184 WeakPolarHBondContact CE-O 3.43Å; L181-D184 PolarHBondContact O-N 2.91Å; D184-L186 VanDerWaalsContact C-N 3.3Å; D184-L186 PolarHBondContact O-N 3.18Å |
| 185 | D | 84.2 | Confident | 85.2 | Confident | 46 Ų | 46 | 28.8 Ų | 28.8 | 25% | 0.246 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 36.2 | 180 | -76.7 | -3.6 | 0 | 0 | 0 | 115.2 | F23 K27 H87 M88 R183 | F23-D185 HydrophobicContact CD1-CB 4.49Å; F23-D185 HydrophobicContact CE1-CB 4.25Å; K27-D185 WeakPolarHBondContact CD-OD2 3.32Å; K27-D185 IonicContact NZ-OD2 2.68Å; K27-D185 PolarHBondContact NZ-OD2 3.06Å; H87-D185 WeakPolarHBondContact CB-O 3.28Å; M88-D185 PolarHBondContact N-O 2.87Å; R183-D185 VanDerWaalsContact C-N 3.32Å; R183-D185 PolarHBondContact O-N 3Å |
| 186 | L | 89.9 | Confident | 84.4 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 131.2 | 175.8 | -173.7 | 61.7 | 0 | 0 | 0 | 112.6 | L20 M88 V90 L181 L182 D184 L188 F336 I340 | L20-L186 HydrophobicContact CD1-CD2 4.25Å; M88-L186 HydrophobicContact CB-CD1 3.88Å; V90-L186 HydrophobicContact CG2-CD1 4.11Å; L181-L186 HydrophobicContact CB-CD2 4.1Å; L181-L186 WeakPolarHBondContact O-CB 3.46Å; L182-L186 WeakPolarHBondContact CD2-O 3.31Å; D184-L186 VanDerWaalsContact C-N 3.3Å; D184-L186 PolarHBondContact O-N 3.18Å; L186-L188 HydrophobicContact CD1-CD2 4.27Å; L186-L188 HydrophobicContact CD2-CD2 3.75Å; L186-L188 HydrophobicContact CD2-CG 4.49Å; L186-L188 HydrophobicContact CG-CD2 3.83Å; L186-L188 HydrophobicContact CG-CG 4.44Å; L186-F336 HydrophobicContact CD2-CE1 4.29Å; L186-I340 HydrophobicContact CD1-CD1 3.3Å |
| 187 | V | 92 | Very high | 83.6 | Confident | 6 Ų | 6 | 31.7 Ų | 31.7 | 4% | 0.036 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 125.6 | 172.3 | 177.8 | 0 | 0 | 0 | 0 | 110.1 | H87 M88 K89 V90 S126 V127 E128 V189 | H87-V187 HydrophobicContact CB-CG2 3.88Å; H87-V187 VanDerWaalsContact CG-CG2 3.48Å; H87-V187 WeakPolarHBondContact ND1-CG2 3.46Å; M88-V187 WeakPolarHBondContact O-CB 3.39Å; M88-V187 PolarHBondContact O-N 2.85Å; K89-V187 WeakPolarHBondContact CA-O 3.34Å; V90-V187 PolarHBondContact N-O 3.5Å; S126-V187 WeakPolarHBondContact OG-CG1 3.43Å; V127-V187 WeakPolarHBondContact O-CA 3.39Å; E128-V187 HydrophobicContact CG-CB 4.48Å; E128-V187 HydrophobicContact CG-CG1 3.9Å; E128-V187 HydrophobicContact CG-CG2 3.86Å; V187-V189 HydrophobicContact CG1-CG2 4.31Å |
| 188 | L | 92.9 | Very high | 83 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 128.6 | 179.2 | -53.3 | 179.4 | 0 | 0 | 0 | 109.3 | V90 F92 I104 L108 S126 V127 L186 | V90-L188 HydrophobicContact CB-CD2 4.24Å; F92-L188 HydrophobicContact CE2-CB 4.32Å; F92-L188 HydrophobicContact CE2-CD2 4.07Å; I104-L188 HydrophobicContact CG2-CB 4.39Å; I104-L188 HydrophobicContact CG2-CD1 3.98Å; L108-L188 HydrophobicContact CD1-CD1 4.48Å; L108-L188 HydrophobicContact CD2-CD1 3.84Å; L108-L188 HydrophobicContact CG-CD1 4.06Å; S126-L188 CarbonylContact C-O 3.56Å; S126-L188 WeakPolarHBondContact CA-O 3.41Å; V127-L188 PolarHBondContact N-O 3.48Å; V127-L188 PolarHBondContact O-N 3.26Å; V127-L188 VanDerWaalsContact O-N 3.17Å; L186-L188 HydrophobicContact CD1-CD2 4.27Å; L186-L188 HydrophobicContact CD2-CD2 3.75Å; L186-L188 HydrophobicContact CD2-CG 4.49Å; L186-L188 HydrophobicContact CG-CD2 3.83Å; L186-L188 HydrophobicContact CG-CG 4.44Å |
| 189 | V | 92.2 | Very high | 82.6 | Confident | 3 Ų | 3 | 33.3 Ų | 33.3 | 2% | 0.018 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 115.6 | -178.6 | -176.7 | 0 | 0 | 0 | 0 | 109.7 | K89 V90 A91 F92 F124 L125 V187 | K89-V189 HydrophobicContact CG-CG2 4.25Å; V90-V189 PolarHBondContact O-N 3.31Å; A91-V189 HydrophobicContact CB-CB 4.41Å; F92-V189 PolarHBondContact N-O 3.43Å; F124-V189 HydrophobicContact CD1-CG1 3.77Å; L125-V189 CarbonylContact O-C 3.52Å; L125-V189 WeakPolarHBondContact O-CA 3.47Å; V187-V189 HydrophobicContact CG1-CG2 4.31Å |
| 190 | D | 91.4 | Very high | 82.4 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 123.6 | 168.6 | -164.4 | 25.8 | 0 | 0 | 0 | 109 | K100 S101 I104 L113 T121 L125 | K100-D190 WeakPolarHBondContact CB-OD1 3.45Å; S101-D190 WeakPolarHBondContact CB-OD2 3.18Å; S101-D190 PolarHBondContact OG-OD2 3.03Å; I104-D190 HydrophobicContact CD1-CB 3.56Å; L113-D190 HydrophobicContact CD1-CB 3.84Å; T121-D190 PolarHBondContact OG1-OD2 3.49Å; L125-D190 HydrophobicContact CB-CB 4.29Å; L125-D190 PolarHBondContact N-O 3.24Å; L125-D190 PolarHBondContact O-N 3.45Å |
| 191 | S | 88.8 | Confident | 82.2 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.007 | 18% | 0.176 | C | C | . | . | P | Polyproline II helix | trans | -85.2 | 159.1 | 173.5 | 82.5 | 0 | 0 | 0 | 0 | 111.5 | F92 F93 K100 | F92-S191 VanDerWaalsContact O-CB 3.29Å; F92-S191 WeakPolarHBondContact O-CB 3.32Å; F92-S191 PolarHBondContact O-N 2.95Å; F92-S191 PolarHBondContact O-OG 3.3Å; F93-S191 VanDerWaalsContact CD1-CB 3.48Å; F93-S191 WeakPolarHBondContact CD1-OG 3.32Å; K100-S191 WeakPolarHBondContact CE-O 3.39Å; K100-S191 WeakPolarHBondContact CE-OG 3.36Å; K100-S191 PolarHBondContact NZ-O 3.05Å |
| 192 | P | 85.8 | Confident | 82.2 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -59.5 | 171 | 159.7 | -18.9 | 32.1 | 0 | 0 | 0 | 111.6 | K100 N122 F124 T194 W203 | K100-P192 PolarHBondContact NZ-O 2.93Å; N122-P192 VanDerWaalsContact O-CG 3.3Å; N122-P192 WeakPolarHBondContact O-CG 3.38Å; F124-P192 HydrophobicContact CD2-CG 4.21Å; F124-P192 HydrophobicContact CE2-CG 4.18Å; P192-T194 PolarHBondContact O-N 3.15Å; P192-W203 HydrophobicContact CB-CH2 3.5Å; P192-W203 VanDerWaalsContact CB-CH2 3.5Å; P192-W203 HydrophobicContact CB-CZ2 4.4Å; P192-W203 HydrophobicContact CB-CZ3 3.8Å; P192-W203 HydrophobicContact CG-CH2 3.6Å; P192-W203 HydrophobicContact CG-CZ2 4.11Å; P192-W203 HydrophobicContact CG-CZ3 3.89Å |
| 193 | G | 84.1 | Confident | 82.1 | Confident | 3 Ų | 3 | 36 Ų | 36 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -62.3 | 129.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D195 V196 | G193-D195 PolarHBondContact O-N 3.26Å; G193-D195 VanDerWaalsContact O-N 3.07Å; G193-V196 WeakPolarHBondContact O-CB 3.39Å; G193-V196 WeakPolarHBondContact O-CG2 3.16Å; G193-V196 PolarHBondContact O-N 3.06Å |
| 194 | T | 83 | Confident | 82.1 | Confident | 7 Ų | 7 | 29.6 Ų | 29.6 | 4% | 0.043 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -8.5 | 176 | 51.9 | 0 | 0 | 0 | 0 | 113.7 | F93 G94 R95 P192 F231 | F93-T194 HydrophobicContact CB-CG2 4.48Å; F93-T194 HydrophobicContact CD1-CG2 4.29Å; G94-T194 VanDerWaalsContact C-OG1 3.31Å; G94-T194 PolarHBondContact O-N 3.43Å; G94-T194 PolarHBondContact O-OG1 3.14Å; R95-T194 PolarHBondContact N-OG1 3.41Å; P192-T194 PolarHBondContact O-N 3.15Å; T194-F231 HydrophobicContact CG2-CB 4.48Å; T194-F231 HydrophobicContact CG2-CD1 4.49Å; T194-F231 HydrophobicContact CG2-CG 4.22Å |
| 195 | D | 78.4 | Confident | 82.1 | Confident | 63 Ų | 63 | 32.3 Ų | 32.3 | 34% | 0.337 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 1.7 | 174.6 | 51.3 | -5.2 | 0 | 0 | 0 | 114.4 | R95 T96 G193 | R95-D195 WeakPolarHBondContact CB-OD2 3.32Å; R95-D195 HydrophobicContact CG-CB 4.19Å; R95-D195 IonicContact CZ-OD2 3.33Å; R95-D195 IonicContact NE-OD2 2.8Å; R95-D195 PolarHBondContact NE-OD2 2.84Å; R95-D195 IonicContact NH2-OD2 3.67Å; R95-D195 PolarHBondContact NH2-OD2 2.92Å; T96-D195 WeakPolarHBondContact CB-OD1 3.43Å; T96-D195 PolarHBondContact N-OD1 3.29Å; T96-D195 PolarHBondContact OG1-OD1 3.47Å; G193-D195 PolarHBondContact O-N 3.26Å; G193-D195 VanDerWaalsContact O-N 3.07Å |
| 196 | V | 72 | Confident | 82 | Confident | 71 Ų | 71 | 34.9 Ų | 34.9 | 43% | 0.43 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | -29.2 | -175 | -174.9 | 0 | 0 | 0 | 0 | 113.3 | T96 G193 | T96-V196 VanDerWaalsContact OG1-CG2 3.25Å; T96-V196 WeakPolarHBondContact OG1-CG2 3.29Å; G193-V196 WeakPolarHBondContact O-CB 3.39Å; G193-V196 WeakPolarHBondContact O-CG2 3.16Å; G193-V196 PolarHBondContact O-N 3.06Å |
| 197 | T | 69.3 | Low | 81.6 | Confident | 33 Ų | 33 | 35.2 Ų | 35.2 | 20% | 0.202 | 19% | 0.194 | C | C | . | . | trans | -128.8 | 155.6 | -176.6 | -164.9 | 0 | 0 | 0 | 0 | 112.9 | Q199 L200 W203 | T197-Q199 PolarHBondContact OG1-N 2.92Å; T197-Q199 VanDerWaalsContact OG1-N 3.11Å; T197-L200 HydrophobicContact CG2-CD2 3.85Å; T197-W203 HydrophobicContact CG2-CD2 4.09Å; T197-W203 HydrophobicContact CG2-CE3 3.94Å; T197-W203 HydrophobicContact CG2-CH2 3.23Å; T197-W203 HydrophobicContact CG2-CZ2 3.41Å; T197-W203 VanDerWaalsContact CG2-CZ2 3.41Å; T197-W203 HydrophobicContact CG2-CZ3 3.52Å | ||
| 198 | T | 69.2 | Low | 80.9 | Confident | 130 Ų | 130 | 35 Ų | 35 | 80% | 0.798 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -93.5 | -14.1 | 165.7 | 53.2 | 0 | 0 | 0 | 0 | 112.9 | L200 | T198-L200 PolarHBondContact O-N 3.21Š|
| 199 | Q | 71.6 | Confident | 80.4 | Confident | 116 Ų | 116 | 39 Ų | 39 | 54% | 0.542 | 21% | 0.213 | S | C | . | . | trans | -82.1 | 39.9 | -174.2 | -61.3 | -173.7 | -6 | 0 | 0 | 113.9 | T197 D201 S202 | T197-Q199 PolarHBondContact OG1-N 2.92Å; T197-Q199 VanDerWaalsContact OG1-N 3.11Å; Q199-D201 PolarHBondContact O-N 3.44Å; Q199-S202 PolarHBondContact O-N 2.88Å; Q199-S202 PolarHBondContact O-OG 3.28Å | ||
| 200 | L | 73.2 | Confident | 80 | Confident | 11 Ų | 11 | 42.6 Ų | 42.6 | 6% | 0.058 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.2 | -30.1 | -172.4 | -60.7 | 174.1 | 0 | 0 | 0 | 113.7 | T197 T198 W203 I204 F231 K234 | T197-L200 HydrophobicContact CG2-CD2 3.85Å; T198-L200 PolarHBondContact O-N 3.21Å; L200-W203 HydrophobicContact CD2-CE3 4.38Å; L200-W203 PolarHBondContact O-N 3.22Å; L200-I204 WeakPolarHBondContact O-CG1 3.03Å; L200-I204 PolarHBondContact O-N 2.97Å; L200-I204 VanDerWaalsContact O-N 3.12Å; L200-F231 HydrophobicContact CB-CD2 4.23Å; L200-F231 HydrophobicContact CD1-CB 4.4Å; L200-F231 HydrophobicContact CD1-CD2 4.23Å; L200-F231 HydrophobicContact CD2-CD2 4.01Å; L200-F231 HydrophobicContact CG-CD2 4.38Å; L200-K234 HydrophobicContact CB-CD 4.44Å |
| 201 | D | 77.1 | Confident | 79.8 | Confident | 50 Ų | 50 | 43.2 Ų | 43.2 | 27% | 0.267 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.5 | -41.8 | -177.2 | -53.2 | -62.4 | 0 | 0 | 0 | 112.3 | Q199 W203 I204 D205 K234 | Q199-D201 PolarHBondContact O-N 3.44Å; D201-W203 VanDerWaalsContact C-N 3.25Å; D201-W203 PolarHBondContact O-N 3.17Å; D201-I204 PolarHBondContact O-N 3.4Å; D201-D205 PolarHBondContact O-N 3.05Å; D201-K234 WeakPolarHBondContact OD1-CD 3.31Å; D201-K234 WeakPolarHBondContact OD1-CE 3.18Å; D201-K234 IonicContact OD1-NZ 2.71Å; D201-K234 PolarHBondContact OD1-NZ 2.9Å; D201-K234 IonicContact OD2-NZ 3.84Å; D201-K234 PolarHBondContact OD2-NZ 2.97Å |
| 202 | S | 82.4 | Confident | 79.8 | Confident | 57 Ų | 57 | 43.6 Ų | 43.6 | 40% | 0.399 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.1 | -32.1 | 179.4 | 67.5 | 0 | 0 | 0 | 0 | 112 | Q199 K206 | Q199-S202 PolarHBondContact O-N 2.88Å; Q199-S202 PolarHBondContact O-OG 3.28Å; S202-K206 WeakPolarHBondContact O-CB 3.43Å; S202-K206 PolarHBondContact O-N 3.46Å |
| 203 | W | 81.9 | Confident | 80.1 | Confident | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.015 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -71.8 | -38.4 | 175.6 | -67.9 | 6.6 | 0 | 0 | 0 | 112.3 | F124 A166 P192 T197 L200 D201 F207 C208 | F124-W203 HydrophobicContact CE2-CB 3.95Å; F124-W203 AromaticContact CE2-CD2 3.5Å; F124-W203 HydrophobicContact CE2-CD2 3.5Å; F124-W203 VanDerWaalsContact CE2-CD2 3.5Å; F124-W203 AromaticContact CE2-CE2 3.98Å; F124-W203 AromaticContact CE2-CE3 3.75Å; F124-W203 HydrophobicContact CE2-CE3 3.75Å; F124-W203 AromaticContact CE2-CG 3.61Å; F124-W203 HydrophobicContact CE2-CG 3.61Å; F124-W203 HydrophobicContact CE2-CZ3 4.42Å; F124-W203 HydrophobicContact CZ-CB 3.84Å; F124-W203 AromaticContact CZ-CD2 3.86Å; F124-W203 HydrophobicContact CZ-CD2 3.86Å; F124-W203 AromaticContact CZ-CE3 3.74Å; F124-W203 HydrophobicContact CZ-CE3 3.74Å; F124-W203 AromaticContact CZ-CG 3.94Å; F124-W203 HydrophobicContact CZ-CG 3.94Å; A166-W203 HydrophobicContact CB-CZ2 3.75Å; A166-W203 WeakPolarHBondContact O-CZ2 3.44Å; A166-W203 PolarHBondContact O-NE1 2.8Å; P192-W203 HydrophobicContact CB-CH2 3.5Å; P192-W203 VanDerWaalsContact CB-CH2 3.5Å; P192-W203 HydrophobicContact CB-CZ2 4.4Å; P192-W203 HydrophobicContact CB-CZ3 3.8Å; P192-W203 HydrophobicContact CG-CH2 3.6Å; P192-W203 HydrophobicContact CG-CZ2 4.11Å; P192-W203 HydrophobicContact CG-CZ3 3.89Å; T197-W203 HydrophobicContact CG2-CD2 4.09Å; T197-W203 HydrophobicContact CG2-CE3 3.94Å; T197-W203 HydrophobicContact CG2-CH2 3.23Å; T197-W203 HydrophobicContact CG2-CZ2 3.41Å; T197-W203 VanDerWaalsContact CG2-CZ2 3.41Å; T197-W203 HydrophobicContact CG2-CZ3 3.52Å; L200-W203 HydrophobicContact CD2-CE3 4.38Å; L200-W203 PolarHBondContact O-N 3.22Å; D201-W203 VanDerWaalsContact C-N 3.25Å; D201-W203 PolarHBondContact O-N 3.17Å; W203-F207 WeakPolarHBondContact O-CB 3.33Å; W203-F207 PolarHBondContact O-N 3.4Å; W203-C208 PolarHBondContact O-SG 3.29Å; W203-C208 VanDerWaalsContact O-SG 3.38Å |
| 204 | I | 80.9 | Confident | 80.5 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64 | -52.3 | 175.5 | -66.4 | 165.6 | 0 | 0 | 0 | 109.5 | L200 D201 K206 C208 L209 F231 K234 V235 R238 | L200-I204 WeakPolarHBondContact O-CG1 3.03Å; L200-I204 PolarHBondContact O-N 2.97Å; L200-I204 VanDerWaalsContact O-N 3.12Å; D201-I204 PolarHBondContact O-N 3.4Å; I204-K206 PolarHBondContact O-N 3.03Å; I204-C208 HydrophobicContact CB-CB 4.49Å; I204-C208 HydrophobicContact CG2-CB 4.27Å; I204-C208 WeakPolarHBondContact O-CA 3.33Å; I204-C208 VanDerWaalsContact O-CB 3.26Å; I204-C208 WeakPolarHBondContact O-CB 3.41Å; I204-C208 PolarHBondContact O-N 3.41Å; I204-L209 HydrophobicContact CG2-CD2 4.49Å; I204-L209 PolarHBondContact O-N 2.86Å; I204-F231 HydrophobicContact CD1-CD2 4.32Å; I204-F231 HydrophobicContact CD1-CE2 3.91Å; I204-F231 HydrophobicContact CD1-CZ 4.46Å; I204-F231 HydrophobicContact CG1-CE2 3.74Å; I204-F231 HydrophobicContact CG1-CZ 4.08Å; I204-K234 HydrophobicContact CD1-CB 3.68Å; I204-V235 HydrophobicContact CD1-CG2 3.81Å; I204-V235 HydrophobicContact CG1-CG2 3.98Å; I204-R238 HydrophobicContact CG2-CB 4.14Å; I204-R238 HydrophobicContact CG2-CG 3.9Å |
| 205 | D | 83.1 | Confident | 81 | Confident | 75 Ų | 75 | 43.1 Ų | 43.1 | 40% | 0.401 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.8 | -38.9 | -177.1 | -69.6 | -20.3 | 0 | 0 | 0 | 112.6 | D201 L209 | D201-D205 PolarHBondContact O-N 3.05Å; D205-L209 WeakPolarHBondContact O-CD1 3.47Å |
| 206 | K | 83 | Confident | 81.8 | Confident | 99 Ų | 99 | 40.2 Ų | 40.2 | 43% | 0.43 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -82.5 | -33.9 | -176.4 | -167.5 | 179.6 | 170.5 | -167.5 | 0 | 114.2 | E140 G167 S202 I204 | E140-K206 WeakPolarHBondContact OE1-CE 3.18Å; E140-K206 IonicContact OE1-NZ 3.75Å; E140-K206 PolarHBondContact OE1-NZ 3.25Å; E140-K206 IonicContact OE2-NZ 2.69Å; E140-K206 PolarHBondContact OE2-NZ 2.91Å; G167-K206 PolarHBondContact O-NZ 2.76Å; S202-K206 WeakPolarHBondContact O-CB 3.43Å; S202-K206 PolarHBondContact O-N 3.46Å; I204-K206 PolarHBondContact O-N 3.03Å |
| 207 | F | 80.8 | Confident | 82.8 | Confident | 9 Ų | 9 | 36.8 Ų | 36.8 | 4% | 0.039 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -126.2 | -10.3 | -167.7 | -57.4 | -53.3 | 0 | 0 | 0 | 116.1 | K89 F124 G167 L169 W203 | K89-F207 WeakPolarHBondContact CE-O 3.36Å; K89-F207 PolarHBondContact NZ-O 2.91Å; F124-F207 HydrophobicContact CB-CD2 4.46Å; F124-F207 HydrophobicContact CB-CE2 4.46Å; F124-F207 HydrophobicContact CD1-CB 4.3Å; F124-F207 HydrophobicContact CD1-CD2 4.16Å; F124-F207 HydrophobicContact CD1-CG 4.39Å; F124-F207 AromaticContact CD2-CD2 3.43Å; F124-F207 HydrophobicContact CD2-CD2 3.43Å; F124-F207 VanDerWaalsContact CD2-CD2 3.43Å; F124-F207 AromaticContact CD2-CE2 3.52Å; F124-F207 HydrophobicContact CD2-CE2 3.52Å; F124-F207 HydrophobicContact CD2-CG 4.36Å; F124-F207 HydrophobicContact CE1-CB 4.29Å; F124-F207 HydrophobicContact CE1-CD2 4.28Å; F124-F207 AromaticContact CE2-CD2 3.58Å; F124-F207 HydrophobicContact CE2-CD2 3.58Å; F124-F207 AromaticContact CE2-CE2 3.96Å; F124-F207 HydrophobicContact CE2-CE2 3.96Å; F124-F207 AromaticContact CG-CD2 3.75Å; F124-F207 HydrophobicContact CG-CD2 3.75Å; F124-F207 HydrophobicContact CG-CE2 4.05Å; F124-F207 HydrophobicContact CG-CG 4.25Å; F124-F207 HydrophobicContact CZ-CD2 4.02Å; G167-F207 WeakPolarHBondContact O-CE2 3.14Å; G167-F207 VanDerWaalsContact O-CZ 3.28Å; G167-F207 WeakPolarHBondContact O-CZ 3.41Å; L169-F207 HydrophobicContact CB-CD1 4.43Å; L169-F207 HydrophobicContact CB-CE1 3.57Å; L169-F207 HydrophobicContact CB-CZ 3.86Å; L169-F207 HydrophobicContact CD1-CD1 4.44Å; L169-F207 HydrophobicContact CD1-CE1 4.35Å; L169-F207 HydrophobicContact CD2-CD1 4.35Å; L169-F207 HydrophobicContact CD2-CE1 4.1Å; L169-F207 HydrophobicContact CG-CE1 4.23Å; W203-F207 WeakPolarHBondContact O-CB 3.33Å; W203-F207 PolarHBondContact O-N 3.4Å |
| 208 | C | 78.7 | Confident | 84 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | -22.3 | -169 | -53.4 | 0 | 0 | 0 | 0 | 114.9 | F93 W203 I204 D210 A211 F214 | F93-C208 WeakPolarHBondContact CZ-SG 3.47Å; W203-C208 PolarHBondContact O-SG 3.29Å; W203-C208 VanDerWaalsContact O-SG 3.38Å; I204-C208 HydrophobicContact CB-CB 4.49Å; I204-C208 HydrophobicContact CG2-CB 4.27Å; I204-C208 WeakPolarHBondContact O-CA 3.33Å; I204-C208 VanDerWaalsContact O-CB 3.26Å; I204-C208 WeakPolarHBondContact O-CB 3.41Å; I204-C208 PolarHBondContact O-N 3.41Å; C208-D210 PolarHBondContact O-N 3.47Å; C208-D210 VanDerWaalsContact O-N 3.13Å; C208-A211 WeakPolarHBondContact O-CB 3.45Å; C208-A211 PolarHBondContact O-N 3.33Å; C208-A211 VanDerWaalsContact O-N 3.1Å; C208-F214 HydrophobicContact CB-CE1 3.99Å; C208-F214 HydrophobicContact CB-CZ 4.26Å |
| 209 | L | 81.4 | Confident | 84.9 | Confident | 86 Ų | 86 | 30 Ų | 30 | 45% | 0.45 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -20.9 | -175.9 | -63.8 | -179.4 | 0 | 0 | 0 | 114.4 | I204 D205 R238 L239 | I204-L209 HydrophobicContact CG2-CD2 4.49Å; I204-L209 PolarHBondContact O-N 2.86Å; D205-L209 WeakPolarHBondContact O-CD1 3.47Å; L209-R238 HydrophobicContact CD2-CB 4.09Å; L209-L239 HydrophobicContact CD2-CD2 4.31Å |
| 210 | D | 83.4 | Confident | 85.7 | Confident | 77 Ų | 77 | 25 Ų | 25 | 41% | 0.412 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 5.8 | -180 | 65.3 | -37.9 | 0 | 0 | 0 | 113.8 | K89 C208 | K89-D210 WeakPolarHBondContact CD-OD2 3.27Å; K89-D210 IonicContact NZ-OD1 3.51Å; K89-D210 PolarHBondContact NZ-OD1 3.36Å; K89-D210 IonicContact NZ-OD2 3.66Å; K89-D210 PolarHBondContact NZ-OD2 3.35Å; C208-D210 PolarHBondContact O-N 3.47Å; C208-D210 VanDerWaalsContact O-N 3.13Å |
| 211 | A | 87.6 | Confident | 86.3 | Confident | 14 Ų | 14 | 29.8 Ų | 29.8 | 12% | 0.116 | 16% | 0.157 | C | C | . | . | trans | -79.1 | 134.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | K89 A91 C208 F214 | K89-A211 HydrophobicContact CD-CB 4.46Å; K89-A211 HydrophobicContact CG-CB 4.45Å; A91-A211 HydrophobicContact CB-CB 4.34Å; C208-A211 WeakPolarHBondContact O-CB 3.45Å; C208-A211 PolarHBondContact O-N 3.33Å; C208-A211 VanDerWaalsContact O-N 3.1Å; A211-F214 HydrophobicContact CB-CE1 4.16Å; A211-F214 HydrophobicContact CB-CE2 4.26Å; A211-F214 HydrophobicContact CB-CZ 3.84Å | ||
| 212 | D | 89.6 | Confident | 86.7 | Confident | 9 Ų | 9 | 28.9 Ų | 28.9 | 5% | 0.048 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -88.8 | -26.3 | -178.4 | -53.1 | -71 | 0 | 0 | 0 | 112.9 | M88 K89 I340 S343 A344 T347 K348 | M88-D212 WeakPolarHBondContact CA-OD2 3.49Å; K89-D212 PolarHBondContact N-OD2 3.01Å; K89-D212 PolarHBondContact O-N 2.91Å; D212-I340 HydrophobicContact CB-CG1 4.36Å; D212-S343 PolarHBondContact O-OG 2.95Å; D212-S343 VanDerWaalsContact O-OG 3.13Å; D212-A344 HydrophobicContact CB-CB 4.08Å; D212-T347 PolarHBondContact OD1-OG1 2.88Å; D212-K348 WeakPolarHBondContact OD1-CE 3.4Å; D212-K348 IonicContact OD1-NZ 2.73Å; D212-K348 PolarHBondContact OD1-NZ 2.87Å; D212-K348 WeakPolarHBondContact OD2-CE 3.39Å; D212-K348 IonicContact OD2-NZ 3.07Å; D212-K348 PolarHBondContact OD2-NZ 3.13Å |
| 213 | V | 91.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 139.5 | -178.6 | 173.7 | 0 | 0 | 0 | 0 | 109.8 | V90 A91 V215 N243 F245 F336 I340 | V90-V213 WeakPolarHBondContact CA-O 3.38Å; V90-V213 HydrophobicContact CG1-CG1 4.43Å; V90-V213 HydrophobicContact CG2-CB 4.13Å; A91-V213 PolarHBondContact N-O 3.31Å; V213-V215 HydrophobicContact CG1-CG2 4.38Å; V213-N243 WeakPolarHBondContact CA-O 3.19Å; V213-N243 HydrophobicContact CG2-CB 4.28Å; V213-F245 HydrophobicContact CG1-CD2 3.53Å; V213-F245 HydrophobicContact CG1-CE2 3.8Å; V213-F336 HydrophobicContact CG1-CD2 4.29Å; V213-F336 HydrophobicContact CG1-CE2 4.14Å; V213-I340 HydrophobicContact CB-CG1 4.48Å; V213-I340 HydrophobicContact CG2-CB 3.92Å; V213-I340 HydrophobicContact CG2-CG1 3.87Å |
| 214 | F | 92.5 | Very high | 86.9 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 0% | 0.004 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 139.7 | 173.5 | -65.2 | -90.9 | 0 | 0 | 0 | 110.3 | A91 F93 C208 A211 F232 V235 L239 P242 N243 I244 F245 | A91-F214 HydrophobicContact CB-CD1 4.3Å; A91-F214 HydrophobicContact CB-CE1 4.42Å; A91-F214 WeakPolarHBondContact O-CA 3.33Å; F93-F214 AromaticContact CD2-CD1 3.99Å; F93-F214 HydrophobicContact CD2-CD1 3.99Å; F93-F214 AromaticContact CE2-CD1 3.75Å; F93-F214 HydrophobicContact CE2-CD1 3.75Å; F93-F214 HydrophobicContact CE2-CE1 4Å; C208-F214 HydrophobicContact CB-CE1 3.99Å; C208-F214 HydrophobicContact CB-CZ 4.26Å; A211-F214 HydrophobicContact CB-CE1 4.16Å; A211-F214 HydrophobicContact CB-CE2 4.26Å; A211-F214 HydrophobicContact CB-CZ 3.84Å; F214-F232 HydrophobicContact CB-CE1 3.76Å; F214-F232 HydrophobicContact CB-CZ 4.2Å; F214-F232 HydrophobicContact CD1-CE1 4.28Å; F214-F232 HydrophobicContact CG-CE1 4.15Å; F214-V235 HydrophobicContact CE1-CG1 4.15Å; F214-V235 HydrophobicContact CE2-CG1 4.21Å; F214-V235 HydrophobicContact CZ-CG1 3.94Å; F214-L239 HydrophobicContact CE2-CD1 3.64Å; F214-L239 HydrophobicContact CZ-CD1 3.56Å; F214-P242 HydrophobicContact CD2-CB 3.84Å; F214-P242 HydrophobicContact CE2-CB 3.88Å; F214-N243 PolarHBondContact N-O 2.91Å; F214-I244 HydrophobicContact CB-CG1 4.21Å; F214-I244 CarbonylContact O-C 3.46Å; F214-I244 WeakPolarHBondContact O-CA 3.29Å; F214-F245 PolarHBondContact O-N 3.39Å |
| 215 | V | 94.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 107.6 | 176.6 | -175.1 | 0 | 0 | 0 | 0 | 109.5 | V90 A91 F92 F93 V213 V217 F245 L247 F332 F336 | V90-V215 HydrophobicContact CG1-CG2 3.76Å; A91-V215 PolarHBondContact O-N 3.07Å; F92-V215 CarbonylContact C-O 3.54Å; F92-V215 WeakPolarHBondContact CA-O 3.37Å; F92-V215 HydrophobicContact CD1-CB 3.64Å; F92-V215 HydrophobicContact CD1-CG1 3.74Å; F92-V215 HydrophobicContact CD1-CG2 4.28Å; F92-V215 HydrophobicContact CE1-CB 3.74Å; F92-V215 HydrophobicContact CE1-CG1 3.71Å; F92-V215 HydrophobicContact CE1-CG2 3.92Å; F92-V215 HydrophobicContact CG-CB 4.19Å; F92-V215 HydrophobicContact CZ-CB 4.35Å; F92-V215 HydrophobicContact CZ-CG2 4.09Å; F93-V215 PolarHBondContact N-O 3.35Å; V213-V215 HydrophobicContact CG1-CG2 4.38Å; V215-V217 HydrophobicContact CG1-CG2 4.31Å; V215-F245 HydrophobicContact CG2-CB 4.4Å; V215-L247 HydrophobicContact CG1-CD1 3.57Å; V215-L247 HydrophobicContact CG1-CG 3.79Å; V215-F332 HydrophobicContact CG1-CZ 4.39Å; V215-F336 HydrophobicContact CG2-CE2 4.2Å |
| 216 | L | 94.5 | Very high | 87.2 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 111.6 | 172.3 | 171 | 53.5 | 0 | 0 | 0 | 109.5 | L224 E228 F232 F245 I246 L247 F275 | L216-L224 HydrophobicContact CD2-CD1 3.83Å; L216-E228 HydrophobicContact CD1-CB 4.19Å; L216-E228 HydrophobicContact CD1-CG 4.4Å; L216-F232 HydrophobicContact CB-CE2 3.7Å; L216-F232 HydrophobicContact CB-CZ 4.01Å; L216-F232 HydrophobicContact CD1-CE2 3.98Å; L216-F232 HydrophobicContact CD2-CD2 4.11Å; L216-F232 HydrophobicContact CD2-CE2 4.03Å; L216-F232 HydrophobicContact CG-CE2 4.11Å; L216-F245 PolarHBondContact N-O 3.5Å; L216-I246 HydrophobicContact CB-CG1 4.43Å; L216-I246 HydrophobicContact CD2-CD1 4.44Å; L216-I246 HydrophobicContact CD2-CG1 4.28Å; L216-I246 WeakPolarHBondContact O-CA 3.4Å; L216-L247 PolarHBondContact O-N 2.82Å; L216-F275 HydrophobicContact CD2-CE1 4.4Å |
| 217 | V | 93.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 99.9 | 173.5 | -171.8 | 0 | 0 | 0 | 0 | 108.6 | F92 F93 N98 K100 V103 V215 L247 N249 | F92-V217 HydrophobicContact CD1-CG2 4.2Å; F93-V217 PolarHBondContact O-N 3.37Å; N98-V217 HydrophobicContact CB-CG1 4.4Å; N98-V217 WeakPolarHBondContact CB-O 3.48Å; N98-V217 PolarHBondContact ND2-O 2.89Å; K100-V217 HydrophobicContact CG-CB 4.05Å; K100-V217 HydrophobicContact CG-CG2 4.19Å; V103-V217 HydrophobicContact CG2-CG1 3.96Å; V103-V217 HydrophobicContact CG2-CG2 4.15Å; V215-V217 HydrophobicContact CG1-CG2 4.31Å; V217-L247 HydrophobicContact CG2-CD1 4.47Å; V217-N249 HydrophobicContact CG1-CB 3.72Å |
| 218 | A | 92.7 | Very high | 87.5 | Confident | 3 Ų | 3 | 33.7 Ų | 33.7 | 3% | 0.025 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 155 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | L247 N249 | A218-L247 PolarHBondContact N-O 3.21Å; A218-N249 PolarHBondContact O-N 3.49Å |
| 219 | N | 89.9 | Confident | 88 | Confident | 18 Ų | 18 | 35.5 Ų | 35.5 | 10% | 0.096 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 115.6 | 170.5 | 176.4 | 12.3 | 0 | 0 | 0 | 109.9 | E221 S222 R250 | N219-E221 PolarHBondContact ND2-OE2 2.87Å; N219-E221 PolarHBondContact O-N 3.39Å; N219-E221 WeakPolarHBondContact OD1-CB 3.37Å; N219-E221 WeakPolarHBondContact OD1-CG 3.33Å; N219-E221 PolarHBondContact OD1-N 3.49Å; N219-S222 CarbonylContact O-C 3.58Å; N219-S222 PolarHBondContact O-N 3.13Å; N219-S222 PolarHBondContact O-OG 2.68Å; N219-R250 WeakPolarHBondContact OD1-CD 3.33Å |
| 220 | S | 88.1 | Confident | 88.3 | Confident | 9 Ų | 9 | 36 Ų | 36 | 6% | 0.063 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -21.3 | 179.5 | -60.2 | 0 | 0 | 0 | 0 | 115.3 | S222 N248 N249 H268 | S220-S222 PolarHBondContact O-N 2.99Å; S220-N248 WeakPolarHBondContact OG-CB 3.48Å; S220-N248 PolarHBondContact OG-O 3.37Å; S220-N248 VanDerWaalsContact OG-O 3.06Å; S220-N249 WeakPolarHBondContact CB-O 3.28Å; S220-N249 PolarHBondContact N-O 3.09Å; S220-N249 PolarHBondContact OG-O 3.48Å; S220-H268 PolarHBondContact O-CE1 3.09Å |
| 221 | E | 85.6 | Confident | 88.5 | Confident | 112 Ų | 112 | 32.4 Ų | 32.4 | 52% | 0.523 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -11.1 | 172.6 | -57.7 | 159.2 | -155.8 | 0 | 0 | 112.1 | N219 R250 A253 | N219-E221 PolarHBondContact ND2-OE2 2.87Å; N219-E221 PolarHBondContact O-N 3.39Å; N219-E221 WeakPolarHBondContact OD1-CB 3.37Å; N219-E221 WeakPolarHBondContact OD1-CG 3.33Å; N219-E221 PolarHBondContact OD1-N 3.49Å; E221-R250 WeakPolarHBondContact OE1-CD 3.34Å; E221-R250 IonicContact OE1-CZ 3.82Å; E221-R250 IonicContact OE1-NE 2.64Å; E221-R250 IonicContact OE1-NH1 3.8Å; E221-R250 PolarHBondContact OE1-NH1 3.02Å; E221-R250 IonicContact OE2-NH1 2.96Å; E221-R250 PolarHBondContact OE2-NH1 2.97Å; E221-A253 HydrophobicContact CG-CB 3.85Å |
| 222 | S | 84.3 | Confident | 88.5 | Confident | 31 Ų | 31 | 31.8 Ų | 31.8 | 22% | 0.217 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -139.6 | 152.6 | -174 | 59.8 | 0 | 0 | 0 | 0 | 112 | N219 S220 H268 | N219-S222 CarbonylContact O-C 3.58Å; N219-S222 PolarHBondContact O-N 3.13Å; N219-S222 PolarHBondContact O-OG 2.68Å; S220-S222 PolarHBondContact O-N 2.99Å; S222-H268 PolarHBondContact O-CE1 2.8Å; S222-H268 VanDerWaalsContact O-CE1 3.25Å |
| 223 | T | 82.2 | Confident | 88.5 | Confident | 60 Ų | 60 | 34.2 Ų | 34.2 | 37% | 0.368 | 18% | 0.179 | S | C | . | . | P | Polyproline II helix | trans | -72.1 | 154.3 | 174.4 | 63 | 0 | 0 | 0 | 0 | 111 | M225 | T223-M225 PolarHBondContact O-N 2.89Š|
| 224 | L | 86.2 | Confident | 88.3 | Confident | 23 Ų | 23 | 35.8 Ų | 35.8 | 12% | 0.12 | 19% | 0.185 | C | C | . | . | P | Polyproline II helix | trans | -56 | 121 | 177.8 | 177.4 | 63.3 | 0 | 0 | 0 | 110.8 | L216 E228 K229 F275 | L216-L224 HydrophobicContact CD2-CD1 3.83Å; L224-E228 HydrophobicContact CD1-CB 3.81Å; L224-K229 HydrophobicContact CD2-CG 3.96Å; L224-K229 HydrophobicContact CG-CG 4.04Å; L224-F275 HydrophobicContact CD2-CB 4.26Å; L224-F275 HydrophobicContact CD2-CD1 3.64Å; L224-F275 HydrophobicContact CD2-CE1 4.1Å; L224-F275 HydrophobicContact CD2-CG 3.88Å |
| 225 | M | 85.6 | Confident | 88.1 | Confident | 66 Ų | 66 | 35.7 Ų | 35.7 | 33% | 0.325 | 19% | 0.185 | S | C | . | . | P | Polyproline II helix | trans | -84.9 | 150.8 | -170.3 | -69 | -79 | 166.2 | 0 | 0 | 112.4 | T223 T227 E228 K229 | T223-M225 PolarHBondContact O-N 2.89Å; M225-T227 PolarHBondContact O-N 3.48Å; M225-T227 VanDerWaalsContact O-N 3.14Å; M225-E228 PolarHBondContact N-OE2 3.49Å; M225-E228 PolarHBondContact O-N 3.18Å; M225-E228 VanDerWaalsContact O-N 3.07Å; M225-K229 PolarHBondContact O-N 3.26Å; M225-K229 VanDerWaalsContact O-N 3.07Å |
| 226 | N | 84.9 | Confident | 87.7 | Confident | 129 Ų | 129 | 37.7 Ų | 37.7 | 69% | 0.69 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -59.3 | -26.8 | 178 | -73.7 | -10.2 | 0 | 0 | 0 | 113.6 | H230 | N226-H230 WeakPolarHBondContact O-CB 3.43Å; N226-H230 PolarHBondContact O-N 3.46Å |
| 227 | T | 84.1 | Confident | 87.3 | Confident | 65 Ų | 65 | 44.7 Ų | 44.7 | 40% | 0.399 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -67 | -41.7 | 175.1 | 49.5 | 0 | 0 | 0 | 0 | 112.3 | M225 H230 F231 | M225-T227 PolarHBondContact O-N 3.48Å; M225-T227 VanDerWaalsContact O-N 3.14Å; T227-H230 PolarHBondContact O-N 2.96Å; T227-F231 PolarHBondContact O-N 3.25Å; T227-F231 VanDerWaalsContact O-N 3.14Å |
| 228 | E | 87 | Confident | 86.8 | Confident | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.019 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69.3 | -42 | 177 | -65.4 | 166.4 | 138.2 | 0 | 0 | 110.5 | R95 N98 L216 L224 M225 F232 | R95-E228 HydrophobicContact CG-CG 3.85Å; R95-E228 WeakPolarHBondContact CG-OE1 3.44Å; R95-E228 PolarHBondContact N-OE1 2.91Å; N98-E228 PolarHBondContact ND2-OE1 2.8Å; L216-E228 HydrophobicContact CD1-CB 4.19Å; L216-E228 HydrophobicContact CD1-CG 4.4Å; L224-E228 HydrophobicContact CD1-CB 3.81Å; M225-E228 PolarHBondContact N-OE2 3.49Å; M225-E228 PolarHBondContact O-N 3.18Å; M225-E228 VanDerWaalsContact O-N 3.07Å; E228-F232 WeakPolarHBondContact O-CD2 3.32Å; E228-F232 PolarHBondContact O-N 3.25Å |
| 229 | K | 88.6 | Confident | 86.2 | Confident | 38 Ų | 38 | 52.3 Ų | 52.3 | 17% | 0.165 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.5 | -50 | 171.8 | -67.2 | -170.5 | 159.4 | -158.8 | 0 | 112.3 | L224 M225 F231 F232 H233 F275 E279 | L224-K229 HydrophobicContact CD2-CG 3.96Å; L224-K229 HydrophobicContact CG-CG 4.04Å; M225-K229 PolarHBondContact O-N 3.26Å; M225-K229 VanDerWaalsContact O-N 3.07Å; K229-F231 VanDerWaalsContact C-N 3.31Å; K229-F231 PolarHBondContact O-N 2.87Å; K229-F232 PolarHBondContact O-N 2.9Å; K229-F232 VanDerWaalsContact O-N 3.09Å; K229-H233 PolarHBondContact O-CD2 2.9Å; K229-H233 PolarHBondContact O-N 3.02Å; K229-F275 HydrophobicContact CB-CD2 4.44Å; K229-F275 HydrophobicContact CB-CE2 3.72Å; K229-F275 HydrophobicContact CB-CZ 4.12Å; K229-F275 HydrophobicContact CD-CD2 4Å; K229-F275 HydrophobicContact CD-CE2 4.11Å; K229-F275 HydrophobicContact CG-CD2 3.86Å; K229-F275 HydrophobicContact CG-CE2 3.58Å; K229-F275 HydrophobicContact CG-CZ 4.03Å; K229-E279 IonicContact NZ-OE1 2.7Å; K229-E279 PolarHBondContact NZ-OE1 3.47Å; K229-E279 IonicContact NZ-OE2 3.54Å; K229-E279 PolarHBondContact NZ-OE2 3.23Å |
| 230 | H | 88.3 | Confident | 85.4 | Confident | 97 Ų | 97 | 57.4 Ų | 57.4 | 45% | 0.449 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.9 | -38.8 | -177.2 | -177.8 | 62.1 | 0 | 0 | 0 | 112.5 | N226 T227 F232 H233 K234 | N226-H230 WeakPolarHBondContact O-CB 3.43Å; N226-H230 PolarHBondContact O-N 3.46Å; T227-H230 PolarHBondContact O-N 2.96Å; H230-F232 PolarHBondContact O-N 3.35Å; H230-H233 PolarHBondContact O-N 3.38Å; H230-K234 WeakPolarHBondContact NE2-CE 3.41Å; H230-K234 PolarHBondContact O-N 2.87Å; H230-K234 VanDerWaalsContact O-N 3.15Å |
| 231 | F | 87.5 | Confident | 85.1 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 0% | 0.004 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57.5 | -48.7 | 172.2 | 175.8 | -98.6 | 0 | 0 | 0 | 111.8 | F93 T194 L200 I204 T227 K229 H233 K234 V235 | F93-F231 HydrophobicContact CB-CD1 4.35Å; F93-F231 HydrophobicContact CB-CE1 3.99Å; F93-F231 HydrophobicContact CD1-CD1 4.27Å; F93-F231 AromaticContact CD1-CE1 3.47Å; F93-F231 HydrophobicContact CD1-CE1 3.47Å; F93-F231 VanDerWaalsContact CD1-CE1 3.47Å; F93-F231 HydrophobicContact CD1-CE2 4.17Å; F93-F231 AromaticContact CD1-CZ 3.41Å; F93-F231 HydrophobicContact CD1-CZ 3.41Å; F93-F231 VanDerWaalsContact CD1-CZ 3.41Å; F93-F231 AromaticContact CD2-CE1 3.66Å; F93-F231 HydrophobicContact CD2-CE1 3.66Å; F93-F231 HydrophobicContact CD2-CZ 4.04Å; F93-F231 AromaticContact CE1-CE1 3.83Å; F93-F231 HydrophobicContact CE1-CE1 3.83Å; F93-F231 HydrophobicContact CE1-CE2 4.02Å; F93-F231 AromaticContact CE1-CZ 3.3Å; F93-F231 HydrophobicContact CE1-CZ 3.3Å; F93-F231 AromaticContact CE2-CE1 3.97Å; F93-F231 HydrophobicContact CE2-CE1 3.97Å; F93-F231 AromaticContact CE2-CZ 3.9Å; F93-F231 HydrophobicContact CE2-CZ 3.9Å; F93-F231 HydrophobicContact CG-CD1 4.2Å; F93-F231 AromaticContact CG-CE1 3.39Å; F93-F231 HydrophobicContact CG-CE1 3.39Å; F93-F231 AromaticContact CG-CZ 3.81Å; F93-F231 HydrophobicContact CG-CZ 3.81Å; F93-F231 HydrophobicContact CZ-CE1 4.09Å; F93-F231 AromaticContact CZ-CZ 3.58Å; F93-F231 HydrophobicContact CZ-CZ 3.58Å; T194-F231 HydrophobicContact CG2-CB 4.48Å; T194-F231 HydrophobicContact CG2-CD1 4.49Å; T194-F231 HydrophobicContact CG2-CG 4.22Å; L200-F231 HydrophobicContact CB-CD2 4.23Å; L200-F231 HydrophobicContact CD1-CB 4.4Å; L200-F231 HydrophobicContact CD1-CD2 4.23Å; L200-F231 HydrophobicContact CD2-CD2 4.01Å; L200-F231 HydrophobicContact CG-CD2 4.38Å; I204-F231 HydrophobicContact CD1-CD2 4.32Å; I204-F231 HydrophobicContact CD1-CE2 3.91Å; I204-F231 HydrophobicContact CD1-CZ 4.46Å; I204-F231 HydrophobicContact CG1-CE2 3.74Å; I204-F231 HydrophobicContact CG1-CZ 4.08Å; T227-F231 PolarHBondContact O-N 3.25Å; T227-F231 VanDerWaalsContact O-N 3.14Å; K229-F231 VanDerWaalsContact C-N 3.31Å; K229-F231 PolarHBondContact O-N 2.87Å; F231-H233 PolarHBondContact O-N 3.35Å; F231-K234 WeakPolarHBondContact O-CB 3.33Å; F231-K234 PolarHBondContact O-N 2.78Å; F231-V235 HydrophobicContact CD1-CG2 4.17Å; F231-V235 HydrophobicContact CE1-CG2 3.62Å; F231-V235 HydrophobicContact CE2-CG2 4.34Å; F231-V235 HydrophobicContact CZ-CG2 3.72Å; F231-V235 WeakPolarHBondContact O-CG2 3.31Å; F231-V235 PolarHBondContact O-N 3.02Å |
| 232 | F | 88.5 | Confident | 85 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 0% | 0.004 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -72.4 | -27 | -179 | -84.7 | -75.7 | 0 | 0 | 0 | 114.1 | F93 F214 L216 E228 K229 H230 V235 N236 I244 F275 L280 | F93-F232 HydrophobicContact CB-CE2 4.02Å; F93-F232 HydrophobicContact CB-CZ 4.04Å; F93-F232 HydrophobicContact CD2-CZ 4.29Å; F214-F232 HydrophobicContact CB-CE1 3.76Å; F214-F232 HydrophobicContact CB-CZ 4.2Å; F214-F232 HydrophobicContact CD1-CE1 4.28Å; F214-F232 HydrophobicContact CG-CE1 4.15Å; L216-F232 HydrophobicContact CB-CE2 3.7Å; L216-F232 HydrophobicContact CB-CZ 4.01Å; L216-F232 HydrophobicContact CD1-CE2 3.98Å; L216-F232 HydrophobicContact CD2-CD2 4.11Å; L216-F232 HydrophobicContact CD2-CE2 4.03Å; L216-F232 HydrophobicContact CG-CE2 4.11Å; E228-F232 WeakPolarHBondContact O-CD2 3.32Å; E228-F232 PolarHBondContact O-N 3.25Å; K229-F232 PolarHBondContact O-N 2.9Å; K229-F232 VanDerWaalsContact O-N 3.09Å; H230-F232 PolarHBondContact O-N 3.35Å; F232-V235 HydrophobicContact CD1-CB 4.44Å; F232-V235 PolarHBondContact O-N 2.73Å; F232-N236 WeakPolarHBondContact O-CB 3.47Å; F232-N236 PolarHBondContact O-N 3.1Å; F232-I244 HydrophobicContact CD1-CD1 3.55Å; F232-I244 HydrophobicContact CD1-CG1 4.07Å; F232-I244 HydrophobicContact CE1-CD1 3.99Å; F232-I244 HydrophobicContact CE1-CG1 3.98Å; F232-I244 HydrophobicContact CE1-CG2 4.19Å; F232-I244 HydrophobicContact CG-CD1 4.39Å; F232-F275 HydrophobicContact CB-CE1 4.41Å; F232-F275 HydrophobicContact CB-CZ 3.89Å; F232-L280 HydrophobicContact CB-CD1 4.23Å; F232-L280 HydrophobicContact CB-CD2 4.49Å |
| 233 | H | 88.9 | Confident | 85.2 | Confident | 60 Ų | 60 | 58.6 Ų | 58.6 | 28% | 0.278 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.4 | -46.7 | 166.5 | -76.6 | -68.3 | 0 | 0 | 0 | 111.4 | K229 H230 F231 V235 N236 E237 | K229-H233 PolarHBondContact O-CD2 2.9Å; K229-H233 PolarHBondContact O-N 3.02Å; H230-H233 PolarHBondContact O-N 3.38Å; F231-H233 PolarHBondContact O-N 3.35Å; H233-V235 VanDerWaalsContact C-N 3.34Å; H233-V235 PolarHBondContact O-N 2.92Å; H233-N236 CarbonylContact O-C 3.55Å; H233-N236 WeakPolarHBondContact O-CB 3.5Å; H233-N236 PolarHBondContact O-N 2.9Å; H233-N236 VanDerWaalsContact O-N 3.1Å; H233-E237 WeakPolarHBondContact O-CG 3.3Å; H233-E237 PolarHBondContact O-N 3.17Å |
| 234 | K | 87.6 | Confident | 85.6 | Confident | 32 Ų | 32 | 55.7 Ų | 55.7 | 14% | 0.139 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.6 | -38.4 | 174.6 | -71.1 | -177.5 | 157.3 | -150.6 | 0 | 112.9 | L200 D201 I204 H230 F231 N236 E237 R238 | L200-K234 HydrophobicContact CB-CD 4.44Å; D201-K234 WeakPolarHBondContact OD1-CD 3.31Å; D201-K234 WeakPolarHBondContact OD1-CE 3.18Å; D201-K234 IonicContact OD1-NZ 2.71Å; D201-K234 PolarHBondContact OD1-NZ 2.9Å; D201-K234 IonicContact OD2-NZ 3.84Å; D201-K234 PolarHBondContact OD2-NZ 2.97Å; I204-K234 HydrophobicContact CD1-CB 3.68Å; H230-K234 WeakPolarHBondContact NE2-CE 3.41Å; H230-K234 PolarHBondContact O-N 2.87Å; H230-K234 VanDerWaalsContact O-N 3.15Å; F231-K234 WeakPolarHBondContact O-CB 3.33Å; F231-K234 PolarHBondContact O-N 2.78Å; K234-N236 VanDerWaalsContact C-N 3.33Å; K234-N236 PolarHBondContact O-N 3.19Å; K234-E237 PolarHBondContact O-N 3.08Å; K234-R238 WeakPolarHBondContact O-CG 3.22Å; K234-R238 PolarHBondContact O-N 3.2Å |
| 235 | V | 86.4 | Confident | 86 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 172.9 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | I204 F214 F231 F232 H233 E237 R238 L239 P242 | I204-V235 HydrophobicContact CD1-CG2 3.81Å; I204-V235 HydrophobicContact CG1-CG2 3.98Å; F214-V235 HydrophobicContact CE1-CG1 4.15Å; F214-V235 HydrophobicContact CE2-CG1 4.21Å; F214-V235 HydrophobicContact CZ-CG1 3.94Å; F231-V235 HydrophobicContact CD1-CG2 4.17Å; F231-V235 HydrophobicContact CE1-CG2 3.62Å; F231-V235 HydrophobicContact CE2-CG2 4.34Å; F231-V235 HydrophobicContact CZ-CG2 3.72Å; F231-V235 WeakPolarHBondContact O-CG2 3.31Å; F231-V235 PolarHBondContact O-N 3.02Å; F232-V235 HydrophobicContact CD1-CB 4.44Å; F232-V235 PolarHBondContact O-N 2.73Å; H233-V235 VanDerWaalsContact C-N 3.34Å; H233-V235 PolarHBondContact O-N 2.92Å; V235-E237 VanDerWaalsContact C-N 3.33Å; V235-E237 PolarHBondContact O-N 3.26Å; V235-R238 PolarHBondContact O-N 3.32Å; V235-R238 VanDerWaalsContact O-N 3.14Å; V235-L239 HydrophobicContact CG1-CD1 4.06Å; V235-L239 PolarHBondContact O-N 3.42Å; V235-P242 HydrophobicContact CG1-CB 4.24Å; V235-P242 HydrophobicContact CG1-CG 4.35Å |
| 236 | N | 86.1 | Confident | 86.5 | Confident | 42 Ų | 42 | 51.5 Ų | 51.5 | 23% | 0.225 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -71.1 | -23.7 | 179 | -156.1 | 46 | 0 | 0 | 0 | 113.5 | F232 H233 K234 R238 L239 P242 L280 V282 | F232-N236 WeakPolarHBondContact O-CB 3.47Å; F232-N236 PolarHBondContact O-N 3.1Å; H233-N236 CarbonylContact O-C 3.55Å; H233-N236 WeakPolarHBondContact O-CB 3.5Å; H233-N236 PolarHBondContact O-N 2.9Å; H233-N236 VanDerWaalsContact O-N 3.1Å; K234-N236 VanDerWaalsContact C-N 3.33Å; K234-N236 PolarHBondContact O-N 3.19Å; N236-R238 VanDerWaalsContact C-N 3.34Å; N236-L239 CarbonylContact C-O 3.55Å; N236-L239 VanDerWaalsContact O-O 3.08Å; N236-P242 WeakPolarHBondContact OD1-CD 3.48Å; N236-L280 HydrophobicContact CB-CD2 4.17Å; N236-L280 PolarHBondContact ND2-O 3.28Å; N236-V282 WeakPolarHBondContact OD1-CG1 3.45Å |
| 237 | E | 86.3 | Confident | 86.9 | Confident | 147 Ų | 147 | 45.3 Ų | 45.3 | 69% | 0.687 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -71.1 | -28.2 | 169.2 | -72.2 | 169.7 | -167.5 | 0 | 0 | 112.5 | H233 K234 V235 | H233-E237 WeakPolarHBondContact O-CG 3.3Å; H233-E237 PolarHBondContact O-N 3.17Å; K234-E237 PolarHBondContact O-N 3.08Å; V235-E237 VanDerWaalsContact C-N 3.33Å; V235-E237 PolarHBondContact O-N 3.26Å |
| 238 | R | 83.7 | Confident | 87.4 | Confident | 128 Ų | 128 | 42.4 Ų | 42.4 | 48% | 0.483 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -95 | -32.2 | -179.9 | -58.3 | -59.6 | 179.1 | 171.9 | 3.8 | 113.7 | I204 L209 K234 V235 N236 | I204-R238 HydrophobicContact CG2-CB 4.14Å; I204-R238 HydrophobicContact CG2-CG 3.9Å; L209-R238 HydrophobicContact CD2-CB 4.09Å; K234-R238 WeakPolarHBondContact O-CG 3.22Å; K234-R238 PolarHBondContact O-N 3.2Å; V235-R238 PolarHBondContact O-N 3.32Å; V235-R238 VanDerWaalsContact O-N 3.14Å; N236-R238 VanDerWaalsContact C-N 3.34Å |
| 239 | L | 81.4 | Confident | 87.7 | Confident | 36 Ų | 36 | 42.5 Ų | 42.5 | 19% | 0.188 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -120.2 | 122.8 | -178.6 | -65 | 174.9 | 0 | 0 | 0 | 109.3 | L209 F214 V235 N236 K241 P242 | L209-L239 HydrophobicContact CD2-CD2 4.31Å; F214-L239 HydrophobicContact CE2-CD1 3.64Å; F214-L239 HydrophobicContact CZ-CD1 3.56Å; V235-L239 HydrophobicContact CG1-CD1 4.06Å; V235-L239 PolarHBondContact O-N 3.42Å; N236-L239 CarbonylContact C-O 3.55Å; N236-L239 VanDerWaalsContact O-O 3.08Å; L239-K241 VanDerWaalsContact C-N 3.3Å; L239-K241 PolarHBondContact O-N 3.41Å; L239-P242 HydrophobicContact CB-CB 4.44Å; L239-P242 WeakPolarHBondContact O-CD 3.47Å |
| 240 | S | 73.2 | Confident | 87.8 | Confident | 125 Ų | 125 | 44.4 Ų | 44.4 | 87% | 0.874 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -70.2 | -19.2 | -170.1 | -44.9 | 0 | 0 | 0 | 0 | 115.5 | ||
| 241 | K | 79.8 | Confident | 87.8 | Confident | 128 Ų | 128 | 40.4 Ų | 40.4 | 56% | 0.557 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -159.2 | 75.1 | 175.5 | -164.5 | 174.6 | -173.6 | 176.8 | 0 | 111.3 | L239 V282 | L239-K241 VanDerWaalsContact C-N 3.3Å; L239-K241 PolarHBondContact O-N 3.41Å; K241-V282 WeakPolarHBondContact CE-O 3.37Å |
| 242 | P | 84.8 | Confident | 87.8 | Confident | 7 Ų | 7 | 42.1 Ų | 42.1 | 5% | 0.045 | 20% | 0.204 | C | C | . | . | trans | -70 | 134.6 | 177.8 | 28.8 | -35 | 0 | 0 | 0 | 111.3 | F214 V235 N236 L239 I244 V282 | F214-P242 HydrophobicContact CD2-CB 3.84Å; F214-P242 HydrophobicContact CE2-CB 3.88Å; V235-P242 HydrophobicContact CG1-CB 4.24Å; V235-P242 HydrophobicContact CG1-CG 4.35Å; N236-P242 WeakPolarHBondContact OD1-CD 3.48Å; L239-P242 HydrophobicContact CB-CB 4.44Å; L239-P242 WeakPolarHBondContact O-CD 3.47Å; P242-I244 HydrophobicContact CB-CD1 4.44Å; P242-I244 HydrophobicContact CB-CG1 4.24Å; P242-I244 HydrophobicContact CG-CD1 4.02Å; P242-I244 HydrophobicContact CG-CG1 4.34Å; P242-I244 PolarHBondContact O-N 3.09Å; P242-V282 HydrophobicContact CG-CG1 4.03Å | ||
| 243 | N | 87.8 | Confident | 87.6 | Confident | 41 Ų | 41 | 43.7 Ų | 43.7 | 22% | 0.219 | 22% | 0.217 | C | C | . | . | trans | -79.6 | 109.1 | 172.4 | -72.3 | -40.8 | 0 | 0 | 0 | 109.6 | V213 F214 S343 | V213-N243 WeakPolarHBondContact CA-O 3.19Å; V213-N243 HydrophobicContact CG2-CB 4.28Å; F214-N243 PolarHBondContact N-O 2.91Å; N243-S343 PolarHBondContact ND2-OG 3.05Å | ||
| 244 | I | 91.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 134.2 | -174.6 | -58.7 | 166.5 | 0 | 0 | 0 | 110.1 | F214 F232 P242 I246 L276 L280 V282 H291 | F214-I244 HydrophobicContact CB-CG1 4.21Å; F214-I244 CarbonylContact O-C 3.46Å; F214-I244 WeakPolarHBondContact O-CA 3.29Å; F232-I244 HydrophobicContact CD1-CD1 3.55Å; F232-I244 HydrophobicContact CD1-CG1 4.07Å; F232-I244 HydrophobicContact CE1-CD1 3.99Å; F232-I244 HydrophobicContact CE1-CG1 3.98Å; F232-I244 HydrophobicContact CE1-CG2 4.19Å; F232-I244 HydrophobicContact CG-CD1 4.39Å; P242-I244 HydrophobicContact CB-CD1 4.44Å; P242-I244 HydrophobicContact CB-CG1 4.24Å; P242-I244 HydrophobicContact CG-CD1 4.02Å; P242-I244 HydrophobicContact CG-CG1 4.34Å; P242-I244 PolarHBondContact O-N 3.09Å; I244-I246 HydrophobicContact CG2-CG1 4.41Å; I244-L276 HydrophobicContact CB-CD2 4.04Å; I244-L276 HydrophobicContact CG2-CD2 4.04Å; I244-L280 HydrophobicContact CD1-CD1 3.61Å; I244-V282 HydrophobicContact CD1-CG2 4.42Å; I244-H291 PolarHBondContact O-ND1 2.96Å |
| 245 | F | 94.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 143.4 | 164.1 | -74.1 | -79.8 | 0 | 0 | 0 | 110.1 | V213 F214 V215 L216 H291 F293 F332 R335 F336 C339 | V213-F245 HydrophobicContact CG1-CD2 3.53Å; V213-F245 HydrophobicContact CG1-CE2 3.8Å; F214-F245 PolarHBondContact O-N 3.39Å; V215-F245 HydrophobicContact CG2-CB 4.4Å; L216-F245 PolarHBondContact N-O 3.5Å; F245-H291 CarbonylContact C-O 3.59Å; F245-H291 WeakPolarHBondContact CA-O 3.44Å; F245-H291 HydrophobicContact CD1-CB 4.15Å; F245-H291 AromaticContact CD1-ND1 3.86Å; F245-H291 HydrophobicContact CE1-CB 4.42Å; F245-H291 AromaticContact CE1-CG 4Å; F245-H291 AromaticContact CE1-ND1 3.68Å; F245-H291 AromaticContact CZ-CE1 3.96Å; F245-H291 AromaticContact CZ-ND1 3.95Å; F245-F293 HydrophobicContact CD1-CD2 4.49Å; F245-F293 AromaticContact CD1-CE2 3.84Å; F245-F293 HydrophobicContact CD1-CE2 3.84Å; F245-F293 HydrophobicContact CE1-CE2 4.09Å; F245-F332 HydrophobicContact CB-CE2 4.25Å; F245-F332 HydrophobicContact CD1-CE2 4.42Å; F245-F332 HydrophobicContact CG-CE2 4.22Å; F245-R335 HydrophobicContact CE1-CG 3.95Å; F245-R335 HydrophobicContact CZ-CG 4.24Å; F245-F336 HydrophobicContact CD2-CD2 4.42Å; F245-F336 HydrophobicContact CE2-CD2 4.42Å; F245-C339 HydrophobicContact CE2-CB 4.04Å; F245-C339 HydrophobicContact CZ-CB 3.75Å |
| 246 | I | 94.7 | Very high | 86.2 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 115.8 | 174.8 | -55.5 | -177.6 | 0 | 0 | 0 | 109.1 | L216 I244 C272 F275 L276 H291 I292 F293 | L216-I246 HydrophobicContact CB-CG1 4.43Å; L216-I246 HydrophobicContact CD2-CD1 4.44Å; L216-I246 HydrophobicContact CD2-CG1 4.28Å; L216-I246 WeakPolarHBondContact O-CA 3.4Å; I244-I246 HydrophobicContact CG2-CG1 4.41Å; I246-C272 HydrophobicContact CD1-CB 4.02Å; I246-F275 HydrophobicContact CD1-CD1 4.13Å; I246-L276 HydrophobicContact CD1-CD1 3.76Å; I246-L276 HydrophobicContact CD1-CD2 4.11Å; I246-L276 HydrophobicContact CD1-CG 3.85Å; I246-L276 HydrophobicContact CG1-CD1 4.24Å; I246-H291 PolarHBondContact N-O 2.82Å; I246-I292 HydrophobicContact CB-CG1 4.48Å; I246-I292 WeakPolarHBondContact O-CA 3.36Å; I246-F293 PolarHBondContact O-N 3.26Å |
| 247 | L | 95.3 | Very high | 85.9 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 104.4 | 172.8 | -62.7 | -176 | 0 | 0 | 0 | 109.2 | V103 V215 L216 V217 A218 N249 F293 V295 F332 | V103-L247 HydrophobicContact CG1-CD1 3.64Å; V103-L247 HydrophobicContact CG2-CD1 4.3Å; V215-L247 HydrophobicContact CG1-CD1 3.57Å; V215-L247 HydrophobicContact CG1-CG 3.79Å; L216-L247 PolarHBondContact O-N 2.82Å; V217-L247 HydrophobicContact CG2-CD1 4.47Å; A218-L247 PolarHBondContact N-O 3.21Å; L247-N249 VanDerWaalsContact C-N 3.31Å; L247-N249 PolarHBondContact O-N 2.88Å; L247-F293 HydrophobicContact CD2-CB 3.87Å; L247-F293 HydrophobicContact CD2-CD2 4.18Å; L247-F293 HydrophobicContact CD2-CG 4.42Å; L247-V295 HydrophobicContact CB-CG2 4.29Å; L247-F332 HydrophobicContact CD1-CD1 4.33Å; L247-F332 HydrophobicContact CD1-CE1 3.85Å; L247-F332 HydrophobicContact CD1-CE2 4.31Å; L247-F332 HydrophobicContact CD1-CZ 3.84Å; L247-F332 HydrophobicContact CD2-CB 4.41Å; L247-F332 HydrophobicContact CD2-CD1 4.04Å; L247-F332 HydrophobicContact CD2-CD2 3.64Å; L247-F332 HydrophobicContact CD2-CE1 4.25Å; L247-F332 HydrophobicContact CD2-CE2 3.86Å; L247-F332 HydrophobicContact CD2-CG 3.73Å; L247-F332 HydrophobicContact CD2-CZ 4.17Å; L247-F332 HydrophobicContact CG-CE2 4.36Å; L247-F332 HydrophobicContact CG-CZ 4.37Å |
| 248 | N | 94.1 | Very high | 85.4 | Confident | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 89.2 | 166.1 | -69.6 | -71.7 | 0 | 0 | 0 | 107.3 | S220 F293 F294 V295 | S220-N248 WeakPolarHBondContact OG-CB 3.48Å; S220-N248 PolarHBondContact OG-O 3.37Å; S220-N248 VanDerWaalsContact OG-O 3.06Å; N248-F293 PolarHBondContact N-O 3.26Å; N248-F294 HydrophobicContact CB-CD1 3.69Å; N248-F294 HydrophobicContact CB-CE1 3.85Å; N248-F294 HydrophobicContact CB-CG 4.25Å; N248-V295 PolarHBondContact O-N 2.68Å |
| 249 | N | 92.6 | Very high | 85.2 | Confident | 6 Ų | 6 | 51.4 Ų | 51.4 | 3% | 0.032 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 159.8 | -175.8 | -174 | 38.6 | 0 | 0 | 0 | 111.5 | N98 V217 A218 S220 L247 V295 A297 | N98-N249 PolarHBondContact O-ND2 2.84Å; V217-N249 HydrophobicContact CG1-CB 3.72Å; A218-N249 PolarHBondContact O-N 3.49Å; S220-N249 WeakPolarHBondContact CB-O 3.28Å; S220-N249 PolarHBondContact N-O 3.09Å; S220-N249 PolarHBondContact OG-O 3.48Å; L247-N249 VanDerWaalsContact C-N 3.31Å; L247-N249 PolarHBondContact O-N 2.88Å; N249-V295 CarbonylContact C-O 3.49Å; N249-V295 WeakPolarHBondContact CA-O 3.15Å; N249-V295 HydrophobicContact CB-CG2 4.24Å; N249-A297 WeakPolarHBondContact OD1-CB 3.25Å; N249-A297 PolarHBondContact OD1-N 2.88Å |
| 250 | R | 90 | Very high | 85.2 | Confident | 79 Ų | 79 | 56.5 Ų | 56.5 | 30% | 0.298 | 29% | 0.294 | S | S | . | . | trans | 69.7 | 29.3 | -169.6 | -46.7 | -171.6 | -178.9 | -172.1 | 0.8 | 114.7 | S97 N219 E221 D252 A253 V295 | S97-R250 PolarHBondContact O-NH2 3.02Å; N219-R250 WeakPolarHBondContact OD1-CD 3.33Å; E221-R250 WeakPolarHBondContact OE1-CD 3.34Å; E221-R250 IonicContact OE1-CZ 3.82Å; E221-R250 IonicContact OE1-NE 2.64Å; E221-R250 IonicContact OE1-NH1 3.8Å; E221-R250 PolarHBondContact OE1-NH1 3.02Å; E221-R250 IonicContact OE2-NH1 2.96Å; E221-R250 PolarHBondContact OE2-NH1 2.97Å; R250-D252 VanDerWaalsContact CA-OD1 3.29Å; R250-D252 WeakPolarHBondContact CA-OD1 3.47Å; R250-D252 PolarHBondContact O-N 2.87Å; R250-A253 WeakPolarHBondContact O-CB 3.34Å; R250-A253 PolarHBondContact O-N 3.1Å; R250-V295 PolarHBondContact N-O 3.25Å | ||
| 251 | W | 89.8 | Confident | 85.6 | Confident | 13 Ų | 13 | 53.3 Ų | 53.3 | 5% | 0.049 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | 0.7 | 172.5 | -162.9 | -115.3 | 0 | 0 | 0 | 113.8 | A253 S254 M261 V264 R265 F294 V295 R325 | W251-A253 VanDerWaalsContact C-N 3.3Å; W251-S254 VanDerWaalsContact CE2-OG 3.29Å; W251-S254 PolarHBondContact O-OG 3.3Å; W251-S254 VanDerWaalsContact O-OG 3.12Å; W251-M261 HydrophobicContact CH2-CG 4.36Å; W251-M261 HydrophobicContact CZ2-CG 3.57Å; W251-V264 HydrophobicContact CH2-CB 4.3Å; W251-V264 HydrophobicContact CH2-CG1 3.95Å; W251-V264 HydrophobicContact CZ3-CG1 4.02Å; W251-R265 HydrophobicContact CH2-CB 3.99Å; W251-R265 HydrophobicContact CZ2-CB 3.85Å; W251-R265 HydrophobicContact CZ2-CG 4.28Å; W251-F294 HydrophobicContact CB-CB 4.4Å; W251-F294 HydrophobicContact CD2-CB 4.2Å; W251-F294 AromaticContact CD2-CD1 3.91Å; W251-F294 HydrophobicContact CD2-CD1 3.91Å; W251-F294 AromaticContact CE3-CD1 3.86Å; W251-F294 HydrophobicContact CE3-CD1 3.86Å; W251-F294 HydrophobicContact CG-CB 3.94Å; W251-F294 HydrophobicContact CG-CD1 4.47Å; W251-F294 HydrophobicContact CH2-CD1 4.42Å; W251-F294 HydrophobicContact CZ2-CD1 4.48Å; W251-F294 HydrophobicContact CZ3-CD1 4.12Å; W251-F294 HydrophobicContact CZ3-CE1 4.39Å; W251-V295 PolarHBondContact N-O 2.86Å; W251-R325 WeakPolarHBondContact O-CD 3.5Å |
| 252 | D | 86.6 | Confident | 85.8 | Confident | 36 Ų | 36 | 54.8 Ų | 54.8 | 19% | 0.193 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -24.5 | 163.9 | 50.4 | -60.1 | 0 | 0 | 0 | 113 | R250 S254 A255 S296 E299 | R250-D252 VanDerWaalsContact CA-OD1 3.29Å; R250-D252 WeakPolarHBondContact CA-OD1 3.47Å; R250-D252 PolarHBondContact O-N 2.87Å; D252-S254 PolarHBondContact O-N 3.47Å; D252-A255 WeakPolarHBondContact O-CB 3.35Å; D252-A255 PolarHBondContact O-N 3.4Å; D252-S296 WeakPolarHBondContact OD1-CB 3.36Å; D252-S296 PolarHBondContact OD1-OG 3.2Å; D252-E299 HydrophobicContact CB-CG 4.28Å |
| 253 | A | 85.1 | Confident | 85.9 | Confident | 34 Ų | 34 | 59.8 Ų | 59.8 | 28% | 0.281 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -67.1 | -35.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | E221 R250 W251 A255 N256 | E221-A253 HydrophobicContact CG-CB 3.85Å; R250-A253 WeakPolarHBondContact O-CB 3.34Å; R250-A253 PolarHBondContact O-N 3.1Å; W251-A253 VanDerWaalsContact C-N 3.3Å; A253-A255 PolarHBondContact O-N 3.43Å; A253-N256 PolarHBondContact O-N 2.88Å; A253-N256 PolarHBondContact O-ND2 3.19Å |
| 254 | S | 79.7 | Confident | 85.9 | Confident | 22 Ų | 22 | 60.2 Ų | 60.2 | 15% | 0.154 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -73.6 | -12.7 | 178.6 | 52.8 | 0 | 0 | 0 | 0 | 113.7 | W251 D252 N256 E257 | W251-S254 VanDerWaalsContact CE2-OG 3.29Å; W251-S254 PolarHBondContact O-OG 3.3Å; W251-S254 VanDerWaalsContact O-OG 3.12Å; D252-S254 PolarHBondContact O-N 3.47Å; S254-N256 PolarHBondContact O-N 2.89Å; S254-E257 CarbonylContact O-C 3.56Å; S254-E257 PolarHBondContact O-N 3.01Å |
| 255 | A | 77.4 | Confident | 85.7 | Confident | 23 Ų | 23 | 64.6 Ų | 64.6 | 19% | 0.19 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -65.7 | -14.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | D252 A253 E257 A319 | D252-A255 WeakPolarHBondContact O-CB 3.35Å; D252-A255 PolarHBondContact O-N 3.4Å; A253-A255 PolarHBondContact O-N 3.43Å; A255-E257 VanDerWaalsContact C-N 3.33Å; A255-A319 HydrophobicContact CB-CB 3.86Å |
| 256 | N | 76.5 | Confident | 85.5 | Confident | 133 Ų | 133 | 70.8 Ų | 70.8 | 71% | 0.711 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -77.8 | -17.7 | 172.2 | -57.7 | -54.1 | 0 | 0 | 0 | 112.9 | A253 S254 | A253-N256 PolarHBondContact O-N 2.88Å; A253-N256 PolarHBondContact O-ND2 3.19Å; S254-N256 PolarHBondContact O-N 2.89Å |
| 257 | E | 79.1 | Confident | 85.3 | Confident | 136 Ų | 136 | 75.2 Ų | 75.2 | 64% | 0.636 | 37% | 0.369 | S | S | * | . | trans | -133.6 | 65.2 | -174.1 | -65 | -177 | 176.9 | 0 | 0 | 110.8 | S254 A255 E259 Y260 | S254-E257 CarbonylContact O-C 3.56Å; S254-E257 PolarHBondContact O-N 3.01Å; A255-E257 VanDerWaalsContact C-N 3.33Å; E257-E259 VanDerWaalsContact C-N 3.26Å; E257-E259 PolarHBondContact O-N 2.91Å; E257-Y260 PolarHBondContact O-N 3.32Å | ||
| 258 | P | 75.4 | Confident | 85.1 | Confident | 88 Ų | 88 | 75.7 Ų | 75.7 | 57% | 0.571 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -63.9 | -26.6 | -170.9 | 25.5 | -35.1 | 0 | 0 | 0 | 114 | Y260 M261 | P258-Y260 VanDerWaalsContact C-N 3.29Å; P258-Y260 PolarHBondContact O-N 3.19Å; P258-M261 WeakPolarHBondContact O-CB 3.5Å; P258-M261 PolarHBondContact O-N 3.29Å |
| 259 | E | 80.5 | Confident | 85 | Confident | 170 Ų | 170 | 77.3 Ų | 77.3 | 79% | 0.794 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -62.7 | -31 | -176.9 | -63.2 | -174.6 | 176.8 | 0 | 0 | 113.6 | E257 | E257-E259 VanDerWaalsContact C-N 3.26Å; E257-E259 PolarHBondContact O-N 2.91Å |
| 260 | Y | 80.3 | Confident | 84.9 | Confident | 143 Ų | 143 | 80.7 Ų | 80.7 | 56% | 0.561 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -105.7 | 2 | -178.6 | -59 | -64 | 0 | 0 | 0 | 113.5 | E257 P258 E262 D263 V264 | E257-Y260 PolarHBondContact O-N 3.32Å; P258-Y260 VanDerWaalsContact C-N 3.29Å; P258-Y260 PolarHBondContact O-N 3.19Å; Y260-E262 VanDerWaalsContact C-N 3.34Å; Y260-E262 PolarHBondContact O-N 3.32Å; Y260-D263 PolarHBondContact O-N 2.98Å; Y260-V264 WeakPolarHBondContact O-CG2 3.27Å; Y260-V264 PolarHBondContact O-N 3.07Å |
| 261 | M | 82.6 | Confident | 84.9 | Confident | 58 Ų | 58 | 81.8 Ų | 81.8 | 29% | 0.286 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.2 | -40.8 | -170.3 | -175.5 | -178.1 | 63.9 | 0 | 0 | 113 | W251 P258 R265 | W251-M261 HydrophobicContact CH2-CG 4.36Å; W251-M261 HydrophobicContact CZ2-CG 3.57Å; P258-M261 WeakPolarHBondContact O-CB 3.5Å; P258-M261 PolarHBondContact O-N 3.29Å; M261-R265 VanDerWaalsContact O-CB 3.31Å; M261-R265 WeakPolarHBondContact O-CB 3.36Å; M261-R265 PolarHBondContact O-N 3.47Å |
| 262 | E | 84.3 | Confident | 85 | Confident | 158 Ų | 158 | 81.3 Ų | 81.3 | 74% | 0.738 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -71.2 | -44.8 | -179.1 | -64.4 | -167.1 | 163.3 | 0 | 0 | 112.4 | Y260 R265 K266 | Y260-E262 VanDerWaalsContact C-N 3.34Å; Y260-E262 PolarHBondContact O-N 3.32Å; E262-R265 PolarHBondContact O-N 3.31Å; E262-K266 WeakPolarHBondContact O-CB 3.23Å; E262-K266 PolarHBondContact O-N 3.49Å |
| 263 | D | 86 | Confident | 85.3 | Confident | 113 Ų | 113 | 80.1 Ų | 80.1 | 60% | 0.604 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -63.8 | -41.7 | 178 | -79.5 | -29.6 | 0 | 0 | 0 | 111.7 | Y260 K266 Q267 | Y260-D263 PolarHBondContact O-N 2.98Å; D263-K266 PolarHBondContact O-N 2.93Å; D263-Q267 WeakPolarHBondContact O-CB 3.46Å; D263-Q267 PolarHBondContact O-N 3.27Å |
| 264 | V | 87.3 | Confident | 85.7 | Confident | 49 Ų | 49 | 81.1 Ų | 81.1 | 30% | 0.297 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.8 | -45.3 | 174.4 | 174.9 | 0 | 0 | 0 | 0 | 110.6 | W251 Y260 K266 Q267 H268 | W251-V264 HydrophobicContact CH2-CB 4.3Å; W251-V264 HydrophobicContact CH2-CG1 3.95Å; W251-V264 HydrophobicContact CZ3-CG1 4.02Å; Y260-V264 WeakPolarHBondContact O-CG2 3.27Å; Y260-V264 PolarHBondContact O-N 3.07Å; V264-K266 VanDerWaalsContact C-N 3.31Å; V264-K266 PolarHBondContact O-N 3.08Å; V264-Q267 PolarHBondContact O-N 3.4Å; V264-H268 PolarHBondContact O-CD2 3.18Å; V264-H268 VanDerWaalsContact O-CD2 3.26Å; V264-H268 PolarHBondContact O-N 2.84Å |
| 265 | R | 89 | Confident | 86.3 | Confident | 92 Ų | 92 | 80 Ų | 80 | 35% | 0.347 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.1 | -43.6 | 177.1 | -168.1 | 179.8 | -173.4 | 177.8 | 2.6 | 111.1 | W251 M261 E262 H268 T269 F294 E328 | W251-R265 HydrophobicContact CH2-CB 3.99Å; W251-R265 HydrophobicContact CZ2-CB 3.85Å; W251-R265 HydrophobicContact CZ2-CG 4.28Å; M261-R265 VanDerWaalsContact O-CB 3.31Å; M261-R265 WeakPolarHBondContact O-CB 3.36Å; M261-R265 PolarHBondContact O-N 3.47Å; E262-R265 PolarHBondContact O-N 3.31Å; R265-H268 PolarHBondContact O-N 3.05Å; R265-T269 WeakPolarHBondContact O-CB 3.49Å; R265-T269 PolarHBondContact O-N 3.35Å; R265-T269 PolarHBondContact O-OG1 3.03Å; R265-F294 HydrophobicContact CG-CD1 4.06Å; R265-F294 HydrophobicContact CG-CD2 3.86Å; R265-F294 HydrophobicContact CG-CE1 3.9Å; R265-F294 HydrophobicContact CG-CE2 3.68Å; R265-F294 HydrophobicContact CG-CG 4.04Å; R265-F294 HydrophobicContact CG-CZ 3.7Å; R265-F294 WeakPolarHBondContact O-CZ 3.49Å; R265-E328 IonicContact CZ-OE1 3.89Å; R265-E328 IonicContact NH2-OE1 2.71Å; R265-E328 PolarHBondContact NH2-OE1 2.96Å; R265-E328 IonicContact NH2-OE2 3.9Å; R265-E328 PolarHBondContact NH2-OE2 3.47Å |
| 266 | K | 90 | Very high | 87 | Confident | 131 Ų | 131 | 79 Ų | 79 | 57% | 0.57 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -62.9 | -49 | 176.3 | -173.8 | 177.3 | 178.2 | -177.3 | 0 | 111.5 | E262 D263 V264 H268 T269 D270 | E262-K266 WeakPolarHBondContact O-CB 3.23Å; E262-K266 PolarHBondContact O-N 3.49Å; D263-K266 PolarHBondContact O-N 2.93Å; V264-K266 VanDerWaalsContact C-N 3.31Å; V264-K266 PolarHBondContact O-N 3.08Å; K266-H268 VanDerWaalsContact C-N 3.32Å; K266-H268 PolarHBondContact O-N 3.3Å; K266-T269 WeakPolarHBondContact O-CB 3.28Å; K266-T269 PolarHBondContact O-N 2.86Å; K266-T269 VanDerWaalsContact O-N 3.08Å; K266-D270 PolarHBondContact O-N 3.36Å |
| 267 | Q | 90.1 | Very high | 87.7 | Confident | 92 Ų | 92 | 74.2 Ų | 74.2 | 43% | 0.43 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.8 | -40.6 | 178.5 | -168.6 | -167.7 | 74 | 0 | 0 | 112.7 | D263 V264 R271 | D263-Q267 WeakPolarHBondContact O-CB 3.46Å; D263-Q267 PolarHBondContact O-N 3.27Å; V264-Q267 PolarHBondContact O-N 3.4Å; Q267-R271 WeakPolarHBondContact O-CG 3.37Å; Q267-R271 PolarHBondContact O-N 3.36Å |
| 268 | H | 90.1 | Very high | 88.3 | Confident | 11 Ų | 11 | 72.8 Ų | 72.8 | 5% | 0.051 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68.5 | -40.7 | 174.4 | -82.5 | -118.1 | 0 | 0 | 0 | 111.8 | S220 S222 V264 R265 K266 R271 C272 F294 | S220-H268 PolarHBondContact O-CE1 3.09Å; S222-H268 PolarHBondContact O-CE1 2.8Å; S222-H268 VanDerWaalsContact O-CE1 3.25Å; V264-H268 PolarHBondContact O-CD2 3.18Å; V264-H268 VanDerWaalsContact O-CD2 3.26Å; V264-H268 PolarHBondContact O-N 2.84Å; R265-H268 PolarHBondContact O-N 3.05Å; K266-H268 VanDerWaalsContact C-N 3.32Å; K266-H268 PolarHBondContact O-N 3.3Å; H268-R271 PolarHBondContact O-N 2.98Å; H268-C272 WeakPolarHBondContact O-CB 3.47Å; H268-C272 PolarHBondContact O-N 2.87Å; H268-C272 PolarHBondContact O-SG 3.16Å; H268-F294 HydrophobicContact CB-CE1 3.69Å; H268-F294 HydrophobicContact CB-CZ 3.74Å |
| 269 | T | 91.6 | Very high | 89 | Confident | 37 Ų | 37 | 72.2 Ų | 72.2 | 23% | 0.227 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.7 | -51.9 | 177.6 | -55.8 | 0 | 0 | 0 | 0 | 110.9 | R265 K266 R271 C272 V273 F294 | R265-T269 WeakPolarHBondContact O-CB 3.49Å; R265-T269 PolarHBondContact O-N 3.35Å; R265-T269 PolarHBondContact O-OG1 3.03Å; K266-T269 WeakPolarHBondContact O-CB 3.28Å; K266-T269 PolarHBondContact O-N 2.86Å; K266-T269 VanDerWaalsContact O-N 3.08Å; T269-R271 VanDerWaalsContact C-N 3.32Å; T269-R271 PolarHBondContact O-N 3.28Å; T269-C272 PolarHBondContact O-N 2.97Å; T269-V273 HydrophobicContact CG2-CG2 4.29Å; T269-V273 WeakPolarHBondContact O-CG2 3.39Å; T269-V273 PolarHBondContact O-N 3.22Å; T269-F294 WeakPolarHBondContact OG1-CE2 3.4Å; T269-F294 WeakPolarHBondContact OG1-CZ 3.27Å |
| 270 | D | 91.3 | Very high | 89.4 | Confident | 76 Ų | 76 | 64.2 Ų | 64.2 | 41% | 0.406 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.3 | -43.1 | -179.6 | -70.3 | -24.6 | 0 | 0 | 0 | 111.4 | K266 C272 V273 N274 | K266-D270 PolarHBondContact O-N 3.36Å; D270-C272 PolarHBondContact O-N 3.41Å; D270-V273 PolarHBondContact O-N 2.89Å; D270-N274 PolarHBondContact O-N 3.31Å; D270-N274 PolarHBondContact O-OD1 3.01Å |
| 271 | R | 90.4 | Very high | 89.8 | Confident | 103 Ų | 103 | 67.3 Ų | 67.3 | 39% | 0.389 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.9 | -39.1 | 174.8 | -75 | -178.4 | 180 | 131.4 | 0.4 | 113.3 | Q267 H268 T269 F275 | Q267-R271 WeakPolarHBondContact O-CG 3.37Å; Q267-R271 PolarHBondContact O-N 3.36Å; H268-R271 PolarHBondContact O-N 2.98Å; T269-R271 VanDerWaalsContact C-N 3.32Å; T269-R271 PolarHBondContact O-N 3.28Å; R271-F275 WeakPolarHBondContact O-CB 3.3Å; R271-F275 PolarHBondContact O-N 3.19Å |
| 272 | C | 92.4 | Very high | 89.9 | Confident | 2 Ų | 2 | 64.8 Ų | 64.8 | 1% | 0.014 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -70.7 | -38 | 178 | -68.4 | 0 | 0 | 0 | 0 | 111.9 | I246 H268 T269 D270 F275 L276 I292 | I246-C272 HydrophobicContact CD1-CB 4.02Å; H268-C272 WeakPolarHBondContact O-CB 3.47Å; H268-C272 PolarHBondContact O-N 2.87Å; H268-C272 PolarHBondContact O-SG 3.16Å; T269-C272 PolarHBondContact O-N 2.97Å; D270-C272 PolarHBondContact O-N 3.41Å; C272-F275 PolarHBondContact O-N 2.94Å; C272-L276 WeakPolarHBondContact O-CG 3.3Å; C272-L276 PolarHBondContact O-N 3.14Å; C272-I292 HydrophobicContact CB-CD1 3.51Å; C272-I292 HydrophobicContact CB-CG1 3.84Å; C272-I292 HydrophobicContact CB-CG2 4.04Å |
| 273 | V | 93 | Very high | 90 | Very high | 12 Ų | 12 | 57.8 Ų | 57.8 | 7% | 0.073 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64 | -49.4 | 174.3 | 171.8 | 0 | 0 | 0 | 0 | 110.3 | T269 D270 F275 L276 V277 R285 A288 I292 | T269-V273 HydrophobicContact CG2-CG2 4.29Å; T269-V273 WeakPolarHBondContact O-CG2 3.39Å; T269-V273 PolarHBondContact O-N 3.22Å; D270-V273 PolarHBondContact O-N 2.89Å; V273-F275 VanDerWaalsContact C-N 3.27Å; V273-F275 PolarHBondContact O-N 3.05Å; V273-L276 PolarHBondContact O-N 3.14Å; V273-V277 HydrophobicContact CG1-CG2 4.02Å; V273-V277 WeakPolarHBondContact O-CB 3.45Å; V273-V277 VanDerWaalsContact O-CG2 3.27Å; V273-V277 WeakPolarHBondContact O-CG2 3.21Å; V273-V277 PolarHBondContact O-N 3.06Å; V273-R285 HydrophobicContact CG1-CG 4.27Å; V273-A288 HydrophobicContact CG1-CB 4.24Å; V273-A288 HydrophobicContact CG2-CB 4.14Å; V273-I292 HydrophobicContact CG2-CD1 3.6Å |
| 274 | N | 92.8 | Very high | 90.1 | Very high | 54 Ų | 54 | 56.9 Ų | 56.9 | 29% | 0.289 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.8 | -39 | 177.3 | -70 | 18.1 | 0 | 0 | 0 | 111.6 | D270 E278 E279 | D270-N274 PolarHBondContact O-N 3.31Å; D270-N274 PolarHBondContact O-OD1 3.01Å; N274-E278 HydrophobicContact CB-CG 4.49Å; N274-E278 PolarHBondContact ND2-OE2 2.79Å; N274-E278 WeakPolarHBondContact O-CA 3.4Å; N274-E278 VanDerWaalsContact O-CB 3.28Å; N274-E278 WeakPolarHBondContact O-CB 3.22Å; N274-E278 PolarHBondContact O-N 3.41Å; N274-E279 PolarHBondContact O-N 3Å; N274-E279 VanDerWaalsContact O-N 3.1Å |
| 275 | F | 92.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 28% | 0.277 | C | S | . | . | I | π-helix | trans | -63.3 | -45.8 | 176.1 | -179.8 | -120.7 | 0 | 0 | 0 | 113 | L216 L224 K229 F232 I246 R271 C272 V273 E279 L280 | L216-F275 HydrophobicContact CD2-CE1 4.4Å; L224-F275 HydrophobicContact CD2-CB 4.26Å; L224-F275 HydrophobicContact CD2-CD1 3.64Å; L224-F275 HydrophobicContact CD2-CE1 4.1Å; L224-F275 HydrophobicContact CD2-CG 3.88Å; K229-F275 HydrophobicContact CB-CD2 4.44Å; K229-F275 HydrophobicContact CB-CE2 3.72Å; K229-F275 HydrophobicContact CB-CZ 4.12Å; K229-F275 HydrophobicContact CD-CD2 4Å; K229-F275 HydrophobicContact CD-CE2 4.11Å; K229-F275 HydrophobicContact CG-CD2 3.86Å; K229-F275 HydrophobicContact CG-CE2 3.58Å; K229-F275 HydrophobicContact CG-CZ 4.03Å; F232-F275 HydrophobicContact CB-CE1 4.41Å; F232-F275 HydrophobicContact CB-CZ 3.89Å; I246-F275 HydrophobicContact CD1-CD1 4.13Å; R271-F275 WeakPolarHBondContact O-CB 3.3Å; R271-F275 PolarHBondContact O-N 3.19Å; C272-F275 PolarHBondContact O-N 2.94Å; V273-F275 VanDerWaalsContact C-N 3.27Å; V273-F275 PolarHBondContact O-N 3.05Å; F275-E279 HydrophobicContact CD2-CB 4Å; F275-E279 WeakPolarHBondContact O-CB 3.3Å; F275-L280 HydrophobicContact CD1-CD1 4.26Å; F275-L280 HydrophobicContact CD2-CG 4.35Å; F275-L280 HydrophobicContact CE1-CD1 3.66Å; F275-L280 HydrophobicContact CE1-CG 4.31Å; F275-L280 HydrophobicContact CE2-CD1 4.11Å; F275-L280 HydrophobicContact CE2-CD2 4.19Å; F275-L280 HydrophobicContact CE2-CG 3.86Å; F275-L280 HydrophobicContact CZ-CD1 3.57Å; F275-L280 HydrophobicContact CZ-CD2 4.2Å; F275-L280 HydrophobicContact CZ-CG 3.85Å; F275-L280 WeakPolarHBondContact O-CB 3.24Å; F275-L280 WeakPolarHBondContact O-CG 3.41Å; F275-L280 PolarHBondContact O-N 2.92Å |
| 276 | L | 91.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | I | π-helix | trans | -73.6 | -36 | -178.9 | -68.9 | 166.4 | 0 | 0 | 0 | 113.3 | I244 I246 C272 V273 L280 R281 V282 L283 H291 I292 | I244-L276 HydrophobicContact CB-CD2 4.04Å; I244-L276 HydrophobicContact CG2-CD2 4.04Å; I246-L276 HydrophobicContact CD1-CD1 3.76Å; I246-L276 HydrophobicContact CD1-CD2 4.11Å; I246-L276 HydrophobicContact CD1-CG 3.85Å; I246-L276 HydrophobicContact CG1-CD1 4.24Å; C272-L276 WeakPolarHBondContact O-CG 3.3Å; C272-L276 PolarHBondContact O-N 3.14Å; V273-L276 PolarHBondContact O-N 3.14Å; L276-L280 HydrophobicContact CD2-CD1 4.45Å; L276-R281 PolarHBondContact O-N 3.47Å; L276-V282 HydrophobicContact CD2-CG2 4.13Å; L276-V282 WeakPolarHBondContact O-CG2 3.35Å; L276-V282 PolarHBondContact O-N 3.41Å; L276-V282 VanDerWaalsContact O-N 3.12Å; L276-L283 HydrophobicContact CB-CD1 4.43Å; L276-L283 HydrophobicContact CD1-CD1 4.21Å; L276-L283 HydrophobicContact CD2-CD1 4.41Å; L276-H291 HydrophobicContact CD1-CB 4.39Å; L276-I292 HydrophobicContact CD1-CD1 4.22Å; L276-I292 HydrophobicContact CD1-CG1 4.03Å |
| 277 | V | 92.4 | Very high | 89.9 | Confident | 34 Ų | 34 | 62.7 Ų | 62.7 | 21% | 0.206 | 29% | 0.291 | C | S | . | . | I | π-helix | trans | -95.8 | -48.2 | -171.8 | -177 | 0 | 0 | 0 | 0 | 112.3 | V273 R281 L283 R285 A288 | V273-V277 HydrophobicContact CG1-CG2 4.02Å; V273-V277 WeakPolarHBondContact O-CB 3.45Å; V273-V277 VanDerWaalsContact O-CG2 3.27Å; V273-V277 WeakPolarHBondContact O-CG2 3.21Å; V273-V277 PolarHBondContact O-N 3.06Å; V277-R281 WeakPolarHBondContact O-CA 3.27Å; V277-L283 WeakPolarHBondContact CG2-O 3.41Å; V277-R285 HydrophobicContact CG1-CB 4.47Å; V277-A288 HydrophobicContact CG2-CB 3.75Å |
| 278 | E | 90.4 | Very high | 89.7 | Confident | 106 Ų | 106 | 58.3 Ų | 58.3 | 50% | 0.495 | 27% | 0.271 | S | S | . | . | I | π-helix | trans | -90 | -45.7 | -172.9 | -54.2 | -178.1 | 154.7 | 0 | 0 | 111.8 | N274 | N274-E278 HydrophobicContact CB-CG 4.49Å; N274-E278 PolarHBondContact ND2-OE2 2.79Å; N274-E278 WeakPolarHBondContact O-CA 3.4Å; N274-E278 VanDerWaalsContact O-CB 3.28Å; N274-E278 WeakPolarHBondContact O-CB 3.22Å; N274-E278 PolarHBondContact O-N 3.41Å |
| 279 | E | 91.3 | Very high | 89.6 | Confident | 75 Ų | 75 | 61.1 Ų | 61.1 | 35% | 0.35 | 29% | 0.29 | S | S | . | . | I | π-helix | trans | -82.5 | -50.6 | -175.9 | -63.1 | 173.9 | -120.3 | 0 | 0 | 112.7 | K229 N274 F275 | K229-E279 IonicContact NZ-OE1 2.7Å; K229-E279 PolarHBondContact NZ-OE1 3.47Å; K229-E279 IonicContact NZ-OE2 3.54Å; K229-E279 PolarHBondContact NZ-OE2 3.23Å; N274-E279 PolarHBondContact O-N 3Å; N274-E279 VanDerWaalsContact O-N 3.1Å; F275-E279 HydrophobicContact CD2-CB 4Å; F275-E279 WeakPolarHBondContact O-CB 3.3Å |
| 280 | L | 88.3 | Confident | 89.4 | Confident | 3 Ų | 3 | 62.4 Ų | 62.4 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -89.4 | -28.8 | 179.9 | -68.7 | -176.1 | 0 | 0 | 0 | 114.1 | F232 N236 I244 F275 L276 V282 | F232-L280 HydrophobicContact CB-CD1 4.23Å; F232-L280 HydrophobicContact CB-CD2 4.49Å; N236-L280 HydrophobicContact CB-CD2 4.17Å; N236-L280 PolarHBondContact ND2-O 3.28Å; I244-L280 HydrophobicContact CD1-CD1 3.61Å; F275-L280 HydrophobicContact CD1-CD1 4.26Å; F275-L280 HydrophobicContact CD2-CG 4.35Å; F275-L280 HydrophobicContact CE1-CD1 3.66Å; F275-L280 HydrophobicContact CE1-CG 4.31Å; F275-L280 HydrophobicContact CE2-CD1 4.11Å; F275-L280 HydrophobicContact CE2-CD2 4.19Å; F275-L280 HydrophobicContact CE2-CG 3.86Å; F275-L280 HydrophobicContact CZ-CD1 3.57Å; F275-L280 HydrophobicContact CZ-CD2 4.2Å; F275-L280 HydrophobicContact CZ-CG 3.85Å; F275-L280 WeakPolarHBondContact O-CB 3.24Å; F275-L280 WeakPolarHBondContact O-CG 3.41Å; F275-L280 PolarHBondContact O-N 2.92Å; L276-L280 HydrophobicContact CD2-CD1 4.45Å; L280-V282 VanDerWaalsContact C-N 3.25Å; L280-V282 HydrophobicContact CB-CG1 4.13Å; L280-V282 HydrophobicContact CB-CG2 3.99Å; L280-V282 HydrophobicContact CD1-CG2 4.46Å; L280-V282 PolarHBondContact O-N 3.48Å |
| 281 | R | 88.6 | Confident | 89.4 | Confident | 207 Ų | 207 | 59.4 Ų | 59.4 | 78% | 0.781 | 28% | 0.279 | S | S | * | . | trans | 57 | 33.3 | -178.1 | -52.9 | 179.8 | -179 | -175.8 | -1.2 | 114.4 | L276 V277 | L276-R281 PolarHBondContact O-N 3.47Å; V277-R281 WeakPolarHBondContact O-CA 3.27Å | ||
| 282 | V | 86.3 | Confident | 89.5 | Confident | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.03 | 26% | 0.263 | C | S | . | . | trans | -93.1 | -21.7 | -177.5 | -68.3 | 0 | 0 | 0 | 0 | 113.5 | N236 K241 P242 I244 L276 L280 | N236-V282 WeakPolarHBondContact OD1-CG1 3.45Å; K241-V282 WeakPolarHBondContact CE-O 3.37Å; P242-V282 HydrophobicContact CG-CG1 4.03Å; I244-V282 HydrophobicContact CD1-CG2 4.42Å; L276-V282 HydrophobicContact CD2-CG2 4.13Å; L276-V282 WeakPolarHBondContact O-CG2 3.35Å; L276-V282 PolarHBondContact O-N 3.41Å; L276-V282 VanDerWaalsContact O-N 3.12Å; L280-V282 VanDerWaalsContact C-N 3.25Å; L280-V282 HydrophobicContact CB-CG1 4.13Å; L280-V282 HydrophobicContact CB-CG2 3.99Å; L280-V282 HydrophobicContact CD1-CG2 4.46Å; L280-V282 PolarHBondContact O-N 3.48Å | ||
| 283 | L | 86.1 | Confident | 89.6 | Confident | 12 Ų | 12 | 55.4 Ų | 55.4 | 6% | 0.063 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -135.8 | 152.4 | -176.4 | -70.1 | 170.1 | 0 | 0 | 0 | 111.2 | L276 V277 H291 | L276-L283 HydrophobicContact CB-CD1 4.43Å; L276-L283 HydrophobicContact CD1-CD1 4.21Å; L276-L283 HydrophobicContact CD2-CD1 4.41Å; V277-L283 WeakPolarHBondContact CG2-O 3.41Å; L283-H291 HydrophobicContact CD1-CB 3.92Å |
| 284 | D | 88.3 | Confident | 89.6 | Confident | 94 Ų | 94 | 55.1 Ų | 55.1 | 50% | 0.503 | 26% | 0.263 | S | S | . | . | trans | -80.8 | 155.2 | 171 | -59.7 | -58.6 | 0 | 0 | 0 | 111.1 | D286 Q287 A288 | D284-D286 PolarHBondContact O-N 2.9Å; D284-Q287 PolarHBondContact O-N 3.48Å; D284-A288 PolarHBondContact O-N 3.49Å | ||
| 285 | R | 87.1 | Confident | 89.7 | Confident | 155 Ų | 155 | 52.6 Ų | 52.6 | 59% | 0.585 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -31.1 | -174.5 | -163.8 | 174 | -172.6 | 138.8 | 6.6 | 113.6 | V273 V277 P289 | V273-R285 HydrophobicContact CG1-CG 4.27Å; V277-R285 HydrophobicContact CG1-CB 4.47Å; R285-P289 VanDerWaalsContact O-CD 3.28Å; R285-P289 WeakPolarHBondContact O-CD 3.44Å |
| 286 | D | 87.2 | Confident | 89.7 | Confident | 144 Ų | 144 | 52.6 Ų | 52.6 | 77% | 0.77 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -25.4 | 177.5 | -55.4 | -40.7 | 0 | 0 | 0 | 112.7 | D284 | D284-D286 PolarHBondContact O-N 2.9Š|
| 287 | Q | 85.8 | Confident | 89.8 | Confident | 95 Ų | 95 | 52.6 Ų | 52.6 | 44% | 0.444 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -34.4 | 179.4 | -63.1 | -172.8 | 4.1 | 0 | 0 | 112 | D284 P289 N290 | D284-Q287 PolarHBondContact O-N 3.48Å; Q287-P289 VanDerWaalsContact C-CD 3.45Å; Q287-N290 VanDerWaalsContact O-CB 3.31Å; Q287-N290 WeakPolarHBondContact O-CB 3.32Å; Q287-N290 PolarHBondContact O-N 3.06Å |
| 288 | A | 87.2 | Confident | 89.6 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -50.7 | -40.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | V273 V277 D284 N290 H291 I292 | V273-A288 HydrophobicContact CG1-CB 4.24Å; V273-A288 HydrophobicContact CG2-CB 4.14Å; V277-A288 HydrophobicContact CG2-CB 3.75Å; D284-A288 PolarHBondContact O-N 3.49Å; A288-N290 PolarHBondContact O-N 3Å; A288-H291 PolarHBondContact O-N 3.15Å; A288-I292 WeakPolarHBondContact O-CD1 3.33Å |
| 289 | P | 86.8 | Confident | 89.6 | Confident | 70 Ų | 70 | 52.7 Ų | 52.7 | 46% | 0.455 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -60.1 | -27.8 | 175.7 | -25.4 | 35.6 | 0 | 0 | 0 | 114 | R285 Q287 H291 | R285-P289 VanDerWaalsContact O-CD 3.28Å; R285-P289 WeakPolarHBondContact O-CD 3.44Å; Q287-P289 VanDerWaalsContact C-CD 3.45Å; P289-H291 PolarHBondContact O-N 3.4Å |
| 290 | N | 87.9 | Confident | 89.6 | Confident | 63 Ų | 63 | 49.1 Ų | 49.1 | 34% | 0.337 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -75.5 | -4.9 | 177.1 | -65.3 | -82.3 | 0 | 0 | 0 | 113.5 | Q287 A288 F293 R335 | Q287-N290 VanDerWaalsContact O-CB 3.31Å; Q287-N290 WeakPolarHBondContact O-CB 3.32Å; Q287-N290 PolarHBondContact O-N 3.06Å; A288-N290 PolarHBondContact O-N 3Å; N290-F293 WeakPolarHBondContact O-CE2 3.33Å; N290-F293 VanDerWaalsContact O-CZ 3.24Å; N290-F293 WeakPolarHBondContact O-CZ 3.34Å; N290-R335 PolarHBondContact OD1-NH2 3.16Å |
| 291 | H | 90.8 | Very high | 89.7 | Confident | 14 Ų | 14 | 49.2 Ų | 49.2 | 7% | 0.065 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -109.1 | -2.5 | -179.9 | -74.8 | -108.8 | 0 | 0 | 0 | 113.1 | I244 F245 I246 L276 L283 A288 P289 | I244-H291 PolarHBondContact O-ND1 2.96Å; F245-H291 CarbonylContact C-O 3.59Å; F245-H291 WeakPolarHBondContact CA-O 3.44Å; F245-H291 HydrophobicContact CD1-CB 4.15Å; F245-H291 AromaticContact CD1-ND1 3.86Å; F245-H291 HydrophobicContact CE1-CB 4.42Å; F245-H291 AromaticContact CE1-CG 4Å; F245-H291 AromaticContact CE1-ND1 3.68Å; F245-H291 AromaticContact CZ-CE1 3.96Å; F245-H291 AromaticContact CZ-ND1 3.95Å; I246-H291 PolarHBondContact N-O 2.82Å; L276-H291 HydrophobicContact CD1-CB 4.39Å; L283-H291 HydrophobicContact CD1-CB 3.92Å; A288-H291 PolarHBondContact O-N 3.15Å; P289-H291 PolarHBondContact O-N 3.4Å |
| 292 | I | 93.8 | Very high | 89.7 | Confident | 9 Ų | 9 | 42 Ų | 42 | 5% | 0.046 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 122.4 | -173.8 | -57.3 | 158.5 | 0 | 0 | 0 | 109 | I246 C272 V273 L276 A288 F294 | I246-I292 HydrophobicContact CB-CG1 4.48Å; I246-I292 WeakPolarHBondContact O-CA 3.36Å; C272-I292 HydrophobicContact CB-CD1 3.51Å; C272-I292 HydrophobicContact CB-CG1 3.84Å; C272-I292 HydrophobicContact CB-CG2 4.04Å; V273-I292 HydrophobicContact CG2-CD1 3.6Å; L276-I292 HydrophobicContact CD1-CD1 4.22Å; L276-I292 HydrophobicContact CD1-CG1 4.03Å; A288-I292 WeakPolarHBondContact O-CD1 3.33Å; I292-F294 HydrophobicContact CG2-CE2 4.13Å |
| 293 | F | 95 | Very high | 89.7 | Confident | 12 Ų | 12 | 42 Ų | 42 | 5% | 0.053 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 145.4 | -176.5 | -59.1 | -88.2 | 0 | 0 | 0 | 112.3 | F245 I246 L247 N248 N290 V295 E328 F332 R335 | F245-F293 HydrophobicContact CD1-CD2 4.49Å; F245-F293 AromaticContact CD1-CE2 3.84Å; F245-F293 HydrophobicContact CD1-CE2 3.84Å; F245-F293 HydrophobicContact CE1-CE2 4.09Å; I246-F293 PolarHBondContact O-N 3.26Å; L247-F293 HydrophobicContact CD2-CB 3.87Å; L247-F293 HydrophobicContact CD2-CD2 4.18Å; L247-F293 HydrophobicContact CD2-CG 4.42Å; N248-F293 PolarHBondContact N-O 3.26Å; N290-F293 WeakPolarHBondContact O-CE2 3.33Å; N290-F293 VanDerWaalsContact O-CZ 3.24Å; N290-F293 WeakPolarHBondContact O-CZ 3.34Å; F293-V295 HydrophobicContact CB-CG1 4.2Å; F293-E328 HydrophobicContact CB-CG 4.07Å; F293-E328 HydrophobicContact CD1-CG 4.11Å; F293-F332 HydrophobicContact CB-CB 4.3Å; F293-F332 HydrophobicContact CD1-CB 3.89Å; F293-F332 HydrophobicContact CD2-CB 3.9Å; F293-F332 AromaticContact CD2-CD2 3.76Å; F293-F332 HydrophobicContact CD2-CD2 3.76Å; F293-F332 HydrophobicContact CD2-CG 4.23Å; F293-F332 HydrophobicContact CE1-CB 4.14Å; F293-F332 HydrophobicContact CE2-CB 4.16Å; F293-F332 AromaticContact CE2-CD2 3.86Å; F293-F332 HydrophobicContact CE2-CD2 3.86Å; F293-F332 HydrophobicContact CG-CB 3.76Å; F293-F332 HydrophobicContact CG-CD2 4.45Å; F293-F332 HydrophobicContact CG-CG 4.48Å; F293-F332 HydrophobicContact CZ-CB 4.27Å; F293-R335 HydrophobicContact CZ-CB 4.14Å; F293-R335 HydrophobicContact CZ-CG 4.25Å |
| 294 | F | 93.2 | Very high | 89.7 | Confident | 6 Ų | 6 | 42.8 Ų | 42.8 | 3% | 0.026 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 105.6 | 179.9 | -68.8 | -95.8 | 0 | 0 | 0 | 111.3 | N248 W251 R265 H268 T269 I292 E328 | N248-F294 HydrophobicContact CB-CD1 3.69Å; N248-F294 HydrophobicContact CB-CE1 3.85Å; N248-F294 HydrophobicContact CB-CG 4.25Å; W251-F294 HydrophobicContact CB-CB 4.4Å; W251-F294 HydrophobicContact CD2-CB 4.2Å; W251-F294 AromaticContact CD2-CD1 3.91Å; W251-F294 HydrophobicContact CD2-CD1 3.91Å; W251-F294 AromaticContact CE3-CD1 3.86Å; W251-F294 HydrophobicContact CE3-CD1 3.86Å; W251-F294 HydrophobicContact CG-CB 3.94Å; W251-F294 HydrophobicContact CG-CD1 4.47Å; W251-F294 HydrophobicContact CH2-CD1 4.42Å; W251-F294 HydrophobicContact CZ2-CD1 4.48Å; W251-F294 HydrophobicContact CZ3-CD1 4.12Å; W251-F294 HydrophobicContact CZ3-CE1 4.39Å; R265-F294 HydrophobicContact CG-CD1 4.06Å; R265-F294 HydrophobicContact CG-CD2 3.86Å; R265-F294 HydrophobicContact CG-CE1 3.9Å; R265-F294 HydrophobicContact CG-CE2 3.68Å; R265-F294 HydrophobicContact CG-CG 4.04Å; R265-F294 HydrophobicContact CG-CZ 3.7Å; R265-F294 WeakPolarHBondContact O-CZ 3.49Å; H268-F294 HydrophobicContact CB-CE1 3.69Å; H268-F294 HydrophobicContact CB-CZ 3.74Å; T269-F294 WeakPolarHBondContact OG1-CE2 3.4Å; T269-F294 WeakPolarHBondContact OG1-CZ 3.27Å; I292-F294 HydrophobicContact CG2-CE2 4.13Å; F294-E328 PolarHBondContact N-OE1 3.06Å; F294-E328 WeakPolarHBondContact O-CG 3.49Å |
| 295 | V | 93.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 158.3 | -163.8 | -62.1 | 0 | 0 | 0 | 0 | 113.7 | L247 N248 N249 R250 W251 F293 E328 F329 | L247-V295 HydrophobicContact CB-CG2 4.29Å; N248-V295 PolarHBondContact O-N 2.68Å; N249-V295 CarbonylContact C-O 3.49Å; N249-V295 WeakPolarHBondContact CA-O 3.15Å; N249-V295 HydrophobicContact CB-CG2 4.24Å; R250-V295 PolarHBondContact N-O 3.25Å; W251-V295 PolarHBondContact N-O 2.86Å; F293-V295 HydrophobicContact CB-CG1 4.2Å; V295-E328 HydrophobicContact CG1-CG 4.24Å; V295-F329 HydrophobicContact CB-CD2 3.98Å; V295-F329 HydrophobicContact CG1-CB 4.11Å; V295-F329 HydrophobicContact CG1-CD2 3.95Å; V295-F329 HydrophobicContact CG2-CD2 4.42Å |
| 296 | S | 92.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -121.1 | 97.3 | 160.5 | -176 | 0 | 0 | 0 | 0 | 110.3 | D252 K298 E299 V300 | D252-S296 WeakPolarHBondContact OD1-CB 3.36Å; D252-S296 PolarHBondContact OD1-OG 3.2Å; S296-K298 PolarHBondContact O-N 3.19Å; S296-E299 WeakPolarHBondContact CB-OE2 3.43Å; S296-E299 PolarHBondContact O-N 3.14Å; S296-E299 PolarHBondContact OG-N 2.95Å; S296-V300 VanDerWaalsContact O-CG2 3.28Å; S296-V300 WeakPolarHBondContact O-CG2 3.43Å; S296-V300 PolarHBondContact O-N 2.8Å; S296-V300 VanDerWaalsContact O-N 3.15Å | ||
| 297 | A | 92.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.5 | -28.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T102 V103 A106 N249 L301 | T102-A297 HydrophobicContact CG2-CB 4.03Å; V103-A297 HydrophobicContact CB-CB 4.33Å; V103-A297 HydrophobicContact CG2-CB 3.69Å; A106-A297 HydrophobicContact CB-CB 4.36Å; N249-A297 WeakPolarHBondContact OD1-CB 3.25Å; N249-A297 PolarHBondContact OD1-N 2.88Å; A297-L301 WeakPolarHBondContact O-CB 3.31Å; A297-L301 PolarHBondContact O-N 3.49Å |
| 298 | K | 89.9 | Confident | 88.9 | Confident | 131 Ų | 131 | 31.8 Ų | 31.8 | 57% | 0.57 | 16% | 0.16 | S | C | * | . | H | α-helix | trans | -69.6 | -47.8 | -179.7 | -176.4 | -175.5 | 174.5 | -167.6 | 0 | 111.8 | T102 S296 N302 | T102-K298 HydrophobicContact CG2-CB 4.48Å; S296-K298 PolarHBondContact O-N 3.19Å; K298-N302 WeakPolarHBondContact O-CB 3.39Å; K298-N302 VanDerWaalsContact O-CG 3.31Å; K298-N302 PolarHBondContact O-N 3.05Å; K298-N302 VanDerWaalsContact O-N 3.11Å; K298-N302 PolarHBondContact O-ND2 3.34Å |
| 299 | E | 89.9 | Confident | 88.6 | Confident | 12 Ų | 12 | 38.3 Ų | 38.3 | 6% | 0.056 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.8 | -45.9 | 175.1 | -68.5 | -175.9 | 130.6 | 0 | 0 | 111 | D252 S296 N302 S303 L318 A319 F322 R325 | D252-E299 HydrophobicContact CB-CG 4.28Å; S296-E299 WeakPolarHBondContact CB-OE2 3.43Å; S296-E299 PolarHBondContact O-N 3.14Å; S296-E299 PolarHBondContact OG-N 2.95Å; E299-N302 PolarHBondContact O-N 3.16Å; E299-S303 WeakPolarHBondContact O-CB 3.49Å; E299-S303 PolarHBondContact O-N 3.4Å; E299-L318 HydrophobicContact CB-CD2 3.88Å; E299-L318 HydrophobicContact CG-CD2 3.97Å; E299-A319 PolarHBondContact OE1-N 3.31Å; E299-F322 HydrophobicContact CB-CD2 3.65Å; E299-F322 HydrophobicContact CB-CE2 3.65Å; E299-F322 HydrophobicContact CG-CD2 4.28Å; E299-R325 IonicContact OE1-CZ 2.63Å; E299-R325 IonicContact OE1-NH2 2.75Å; E299-R325 PolarHBondContact OE1-NH2 3.05Å; E299-R325 IonicContact OE2-CZ 2.72Å; E299-R325 VanDerWaalsContact OE2-CZ 3.31Å; E299-R325 IonicContact OE2-NE 2.74Å; E299-R325 PolarHBondContact OE2-NE 3.42Å; E299-R325 IonicContact OE2-NH2 3.07Å; E299-R325 PolarHBondContact OE2-NH2 2.91Å |
| 300 | V | 90.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.9 | -45.5 | -180 | 174.6 | 0 | 0 | 0 | 0 | 111.9 | A106 S296 R304 L326 F329 | A106-V300 HydrophobicContact CB-CG1 4.29Å; S296-V300 VanDerWaalsContact O-CG2 3.28Å; S296-V300 WeakPolarHBondContact O-CG2 3.43Å; S296-V300 PolarHBondContact O-N 2.8Å; S296-V300 VanDerWaalsContact O-N 3.15Å; V300-R304 HydrophobicContact CG1-CG 4.45Å; V300-R304 VanDerWaalsContact CG1-NE 3.28Å; V300-R304 WeakPolarHBondContact O-CB 3.34Å; V300-R304 VanDerWaalsContact O-CG 3.23Å; V300-R304 WeakPolarHBondContact O-CG 3.37Å; V300-R304 PolarHBondContact O-N 3.27Å; V300-L326 HydrophobicContact CG1-CD1 4.19Å; V300-L326 HydrophobicContact CG2-CD1 3.96Å; V300-F329 HydrophobicContact CG1-CD1 3.76Å; V300-F329 HydrophobicContact CG1-CE1 3.92Å; V300-F329 HydrophobicContact CG1-CG 4.12Å; V300-F329 HydrophobicContact CG1-CZ 4.44Å; V300-F329 HydrophobicContact CG2-CB 4Å; V300-F329 HydrophobicContact CG2-CD1 4.5Å; V300-F329 HydrophobicContact CG2-CD2 4.38Å; V300-F329 HydrophobicContact CG2-CG 4.05Å |
| 301 | L | 89.9 | Confident | 87.6 | Confident | 5 Ų | 5 | 40.2 Ų | 40.2 | 3% | 0.026 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.7 | -48.4 | 176.2 | 176 | 58.2 | 0 | 0 | 0 | 111.4 | T102 N105 A106 R111 A297 S303 R304 M305 | T102-L301 HydrophobicContact CG2-CD2 4.19Å; N105-L301 HydrophobicContact CB-CD1 4.16Å; N105-L301 HydrophobicContact CB-CD2 3.85Å; A106-L301 HydrophobicContact CB-CB 4.08Å; R111-L301 HydrophobicContact CG-CD2 4.37Å; A297-L301 WeakPolarHBondContact O-CB 3.31Å; A297-L301 PolarHBondContact O-N 3.49Å; L301-S303 PolarHBondContact O-N 3.34Å; L301-R304 PolarHBondContact O-N 2.9Å; L301-M305 HydrophobicContact CD1-CG 4.07Å; L301-M305 HydrophobicContact CD1-SD 4.05Å; L301-M305 HydrophobicContact CG-SD 4.15Å; L301-M305 VanDerWaalsContact O-CG 3.29Å; L301-M305 WeakPolarHBondContact O-CG 3.29Å; L301-M305 PolarHBondContact O-N 3.1Å |
| 302 | N | 88.4 | Confident | 86.8 | Confident | 56 Ų | 56 | 43.8 Ų | 43.8 | 30% | 0.299 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.2 | -44.3 | -179.4 | -73.9 | -22.6 | 0 | 0 | 0 | 111.9 | K298 E299 M305 Q306 | K298-N302 WeakPolarHBondContact O-CB 3.39Å; K298-N302 VanDerWaalsContact O-CG 3.31Å; K298-N302 PolarHBondContact O-N 3.05Å; K298-N302 VanDerWaalsContact O-N 3.11Å; K298-N302 PolarHBondContact O-ND2 3.34Å; E299-N302 PolarHBondContact O-N 3.16Å; N302-M305 PolarHBondContact O-N 2.67Å; N302-Q306 WeakPolarHBondContact O-CG 3.41Å; N302-Q306 PolarHBondContact O-N 3.43Å |
| 303 | S | 87.3 | Confident | 85.4 | Confident | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.3 | -42.5 | 177.6 | -171.4 | 0 | 0 | 0 | 0 | 112 | E299 L301 M305 Q306 R307 E313 | E299-S303 WeakPolarHBondContact O-CB 3.49Å; E299-S303 PolarHBondContact O-N 3.4Å; L301-S303 PolarHBondContact O-N 3.34Å; S303-M305 PolarHBondContact O-N 3.39Å; S303-Q306 PolarHBondContact O-N 3.32Å; S303-R307 PolarHBondContact O-N 3.1Å; S303-E313 WeakPolarHBondContact OG-CB 3.3Å; S303-E313 PolarHBondContact OG-O 2.93Å |
| 304 | R | 86.9 | Confident | 83.8 | Confident | 30 Ų | 30 | 51 Ų | 51 | 11% | 0.113 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63 | -40.9 | 174.7 | -73.2 | 171.9 | -178.5 | -150.9 | -3.7 | 112.6 | A106 V300 L301 A308 E333 | A106-R304 WeakPolarHBondContact O-CD 3.49Å; A106-R304 PolarHBondContact O-NH1 3.16Å; V300-R304 HydrophobicContact CG1-CG 4.45Å; V300-R304 VanDerWaalsContact CG1-NE 3.28Å; V300-R304 WeakPolarHBondContact O-CB 3.34Å; V300-R304 VanDerWaalsContact O-CG 3.23Å; V300-R304 WeakPolarHBondContact O-CG 3.37Å; V300-R304 PolarHBondContact O-N 3.27Å; L301-R304 PolarHBondContact O-N 2.9Å; R304-A308 WeakPolarHBondContact O-CB 3.31Å; R304-A308 PolarHBondContact O-N 3.33Å; R304-E333 IonicContact CZ-OE1 3.59Å; R304-E333 IonicContact CZ-OE2 3.71Å; R304-E333 IonicContact NH1-OE1 2.58Å; R304-E333 PolarHBondContact NH1-OE1 2.65Å; R304-E333 IonicContact NH1-OE2 3.97Å; R304-E333 VanDerWaalsContact NH2-CD 3.3Å; R304-E333 IonicContact NH2-OE1 2.85Å; R304-E333 PolarHBondContact NH2-OE1 2.79Å; R304-E333 IonicContact NH2-OE2 2.69Å; R304-E333 PolarHBondContact NH2-OE2 2.95Å |
| 305 | M | 84.7 | Confident | 81.9 | Confident | 38 Ų | 38 | 53.1 Ų | 53.1 | 19% | 0.187 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.5 | -43 | 175.6 | -71.8 | -178 | 78 | 0 | 0 | 112.2 | R111 L301 N302 S303 A308 Q309 | R111-M305 HydrophobicContact CG-CE 3.97Å; R111-M305 HydrophobicContact CG-SD 3.76Å; R111-M305 PolarHBondContact NE-SD 3.47Å; L301-M305 HydrophobicContact CD1-CG 4.07Å; L301-M305 HydrophobicContact CD1-SD 4.05Å; L301-M305 HydrophobicContact CG-SD 4.15Å; L301-M305 VanDerWaalsContact O-CG 3.29Å; L301-M305 WeakPolarHBondContact O-CG 3.29Å; L301-M305 PolarHBondContact O-N 3.1Å; N302-M305 PolarHBondContact O-N 2.67Å; S303-M305 PolarHBondContact O-N 3.39Å; M305-A308 PolarHBondContact O-N 2.88Å; M305-Q309 WeakPolarHBondContact O-CG 3.47Å; M305-Q309 PolarHBondContact O-N 3.05Å |
| 306 | Q | 84.1 | Confident | 80.3 | Confident | 39 Ų | 39 | 54.6 Ų | 54.6 | 18% | 0.182 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.1 | -47.2 | 175.6 | -75.9 | 177.9 | -17.1 | 0 | 0 | 111.4 | N302 S303 A308 Q309 G310 M311 | N302-Q306 WeakPolarHBondContact O-CG 3.41Å; N302-Q306 PolarHBondContact O-N 3.43Å; S303-Q306 PolarHBondContact O-N 3.32Å; Q306-A308 VanDerWaalsContact C-N 3.32Å; Q306-A308 PolarHBondContact O-N 3.44Å; Q306-Q309 CarbonylContact O-C 3.42Å; Q306-Q309 WeakPolarHBondContact O-CA 3.5Å; Q306-Q309 PolarHBondContact O-N 2.91Å; Q306-G310 PolarHBondContact O-N 3.02Å; Q306-M311 HydrophobicContact CB-CB 4.16Å; Q306-M311 PolarHBondContact O-N 3.47Å |
| 307 | R | 81.8 | Confident | 78.8 | Confident | 124 Ų | 124 | 60.3 Ų | 60.3 | 47% | 0.468 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.3 | -41.7 | 173.5 | 179 | 176.7 | 171.3 | 159.4 | -8.5 | 112.2 | D11 S303 Q309 G310 E313 | D11-R307 IonicContact OD1-NH2 2.86Å; D11-R307 PolarHBondContact OD1-NH2 3.27Å; S303-R307 PolarHBondContact O-N 3.1Å; R307-Q309 PolarHBondContact O-N 3.33Å; R307-G310 PolarHBondContact O-N 2.95Å; R307-E313 HydrophobicContact CB-CG 4.2Å; R307-E313 WeakPolarHBondContact CD-OE1 3.48Å; R307-E313 IonicContact CZ-OE1 2.68Å; R307-E313 IonicContact NE-OE1 2.7Å; R307-E313 IonicContact NH1-OE1 2.93Å; R307-E313 PolarHBondContact NH1-OE1 3.36Å |
| 308 | A | 80.3 | Confident | 77.9 | Confident | 56 Ų | 56 | 62.5 Ų | 62.5 | 46% | 0.463 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.9 | -25.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | R304 M305 Q306 | R304-A308 WeakPolarHBondContact O-CB 3.31Å; R304-A308 PolarHBondContact O-N 3.33Å; M305-A308 PolarHBondContact O-N 2.88Å; Q306-A308 VanDerWaalsContact C-N 3.32Å; Q306-A308 PolarHBondContact O-N 3.44Å |
| 309 | Q | 81.3 | Confident | 77 | Confident | 136 Ų | 136 | 57.9 Ų | 57.9 | 64% | 0.636 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | 1.5 | 173.5 | -66.6 | 174 | 4.7 | 0 | 0 | 113.4 | M305 Q306 R307 | M305-Q309 WeakPolarHBondContact O-CG 3.47Å; M305-Q309 PolarHBondContact O-N 3.05Å; Q306-Q309 CarbonylContact O-C 3.42Å; Q306-Q309 WeakPolarHBondContact O-CA 3.5Å; Q306-Q309 PolarHBondContact O-N 2.91Å; R307-Q309 PolarHBondContact O-N 3.33Å |
| 310 | G | 76.8 | Confident | 76.3 | Confident | 69 Ų | 69 | 65.8 Ų | 65.8 | 71% | 0.711 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.9 | 10.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q306 R307 | Q306-G310 PolarHBondContact O-N 3.02Å; R307-G310 PolarHBondContact O-N 2.95Å |
| 311 | M | 76.7 | Confident | 75.8 | Confident | 105 Ų | 105 | 67.3 Ų | 67.3 | 52% | 0.517 | 41% | 0.413 | S | S | . | . | trans | -87 | 152.9 | 174 | -64.4 | -175.3 | -178.8 | 0 | 0 | 111.1 | Q306 | Q306-M311 HydrophobicContact CB-CB 4.16Å; Q306-M311 PolarHBondContact O-N 3.47Å | ||
| 312 | P | 73.7 | Confident | 75.5 | Confident | 88 Ų | 88 | 67.8 Ų | 67.8 | 57% | 0.571 | 42% | 0.415 | S | S | * | . | trans | -63.3 | 144.2 | 175.8 | 26.3 | -34.5 | 0 | 0 | 0 | 111.9 | T314 G315 | P312-T314 PolarHBondContact O-N 3.33Å; P312-G315 PolarHBondContact O-N 3.47Å | ||
| 313 | E | 64.7 | Low | 75.3 | Confident | 72 Ų | 72 | 73.2 Ų | 73.2 | 34% | 0.336 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -18.2 | -176.3 | -69.8 | -177.1 | 156.1 | 0 | 0 | 114.6 | S303 R307 | S303-E313 WeakPolarHBondContact OG-CB 3.3Å; S303-E313 PolarHBondContact OG-O 2.93Å; R307-E313 HydrophobicContact CB-CG 4.2Å; R307-E313 WeakPolarHBondContact CD-OE1 3.48Å; R307-E313 IonicContact CZ-OE1 2.68Å; R307-E313 IonicContact NE-OE1 2.7Å; R307-E313 IonicContact NH1-OE1 2.93Å; R307-E313 PolarHBondContact NH1-OE1 3.36Å |
| 314 | T | 60.3 | Low | 75.3 | Confident | 100 Ų | 100 | 79.3 Ų | 79.3 | 61% | 0.613 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | 10.1 | 177.3 | 46 | 0 | 0 | 0 | 0 | 113.9 | P312 G316 | P312-T314 PolarHBondContact O-N 3.33Å; T314-G316 PolarHBondContact O-N 2.68Å |
| 315 | G | 54 | Low | 75.4 | Confident | 52 Ų | 52 | 78.3 Ų | 78.3 | 54% | 0.536 | 46% | 0.46 | S | S | . | . | trans | -75.5 | 0.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | P312 | P312-G315 PolarHBondContact O-N 3.47Š| ||
| 316 | G | 60.5 | Low | 75.6 | Confident | 31 Ų | 31 | 77.5 Ų | 77.5 | 32% | 0.32 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -106.1 | 164 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | T314 L318 | T314-G316 PolarHBondContact O-N 2.68Å; G316-L318 VanDerWaalsContact C-N 3.27Å; G316-L318 PolarHBondContact O-N 2.8Å |
| 317 | A | 60.4 | Low | 75.9 | Confident | 119 Ų | 119 | 83.1 Ų | 83.1 | 98% | 0.983 | 48% | 0.48 | S | S | * | . | trans | -69.7 | 86.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 318 | L | 73.5 | Confident | 76.3 | Confident | 46 Ų | 46 | 79 Ų | 79 | 24% | 0.241 | 47% | 0.467 | C | S | . | . | P | Polyproline II helix | trans | -101.2 | 142.2 | 179.6 | -63.6 | 163.9 | 0 | 0 | 0 | 108.8 | E299 G316 F322 | E299-L318 HydrophobicContact CB-CD2 3.88Å; E299-L318 HydrophobicContact CG-CD2 3.97Å; G316-L318 VanDerWaalsContact C-N 3.27Å; G316-L318 PolarHBondContact O-N 2.8Å; L318-F322 HydrophobicContact CB-CB 4.25Å; L318-F322 HydrophobicContact CB-CG 4.28Å; L318-F322 HydrophobicContact CD1-CD1 3.77Å; L318-F322 HydrophobicContact CD1-CE1 3.86Å; L318-F322 HydrophobicContact CD1-CG 4.2Å; L318-F322 HydrophobicContact CD1-CZ 4.37Å; L318-F322 HydrophobicContact CD2-CD2 4.1Å; L318-F322 HydrophobicContact CD2-CE2 4.21Å; L318-F322 HydrophobicContact CD2-CG 4.31Å; L318-F322 HydrophobicContact CD2-CZ 4.5Å; L318-F322 HydrophobicContact CG-CG 4.5Å |
| 319 | A | 71.9 | Confident | 76.9 | Confident | 35 Ų | 35 | 76.4 Ų | 76.4 | 29% | 0.289 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -77.6 | 160.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | A255 E299 F322 R325 | A255-A319 HydrophobicContact CB-CB 3.86Å; E299-A319 PolarHBondContact OE1-N 3.31Å; A319-F322 WeakPolarHBondContact O-CB 3.38Å; A319-F322 PolarHBondContact O-N 2.99Å; A319-R325 PolarHBondContact O-NH2 3.42Å; A319-R325 VanDerWaalsContact O-NH2 3.13Å |
| 320 | E | 74.9 | Confident | 77.3 | Confident | 177 Ų | 177 | 74.6 Ų | 74.6 | 83% | 0.827 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 147.7 | 174.4 | -167.7 | 161.3 | -169.8 | 0 | 0 | 110.7 | F322 R325 | E320-F322 VanDerWaalsContact C-N 3.33Å; E320-F322 PolarHBondContact O-N 3.36Å; E320-R325 VanDerWaalsContact O-CZ 3.32Å; E320-R325 PolarHBondContact O-NH1 3.01Å; E320-R325 PolarHBondContact O-NH2 3.22Å |
| 321 | G | 79.3 | Confident | 78 | Confident | 32 Ų | 32 | 74.3 Ų | 74.3 | 33% | 0.33 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | 1.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | K323 E324 R325 | G321-K323 PolarHBondContact O-N 2.87Å; G321-K323 VanDerWaalsContact O-N 3.08Å; G321-E324 WeakPolarHBondContact O-CB 3.46Å; G321-E324 PolarHBondContact O-N 3.49Å; G321-R325 PolarHBondContact O-N 3.34Å |
| 322 | F | 84.2 | Confident | 78.7 | Confident | 15 Ų | 15 | 69.3 Ų | 69.3 | 7% | 0.066 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -50 | -39.3 | -179.1 | 167.1 | -111.2 | 0 | 0 | 0 | 114.2 | E299 L318 A319 E320 E324 R325 L326 | E299-F322 HydrophobicContact CB-CD2 3.65Å; E299-F322 HydrophobicContact CB-CE2 3.65Å; E299-F322 HydrophobicContact CG-CD2 4.28Å; L318-F322 HydrophobicContact CB-CB 4.25Å; L318-F322 HydrophobicContact CB-CG 4.28Å; L318-F322 HydrophobicContact CD1-CD1 3.77Å; L318-F322 HydrophobicContact CD1-CE1 3.86Å; L318-F322 HydrophobicContact CD1-CG 4.2Å; L318-F322 HydrophobicContact CD1-CZ 4.37Å; L318-F322 HydrophobicContact CD2-CD2 4.1Å; L318-F322 HydrophobicContact CD2-CE2 4.21Å; L318-F322 HydrophobicContact CD2-CG 4.31Å; L318-F322 HydrophobicContact CD2-CZ 4.5Å; L318-F322 HydrophobicContact CG-CG 4.5Å; A319-F322 WeakPolarHBondContact O-CB 3.38Å; A319-F322 PolarHBondContact O-N 2.99Å; E320-F322 VanDerWaalsContact C-N 3.33Å; E320-F322 PolarHBondContact O-N 3.36Å; F322-E324 PolarHBondContact O-N 3.21Å; F322-R325 PolarHBondContact O-N 3Å; F322-L326 HydrophobicContact CE1-CD2 4.05Å; F322-L326 HydrophobicContact CE2-CB 4.14Å; F322-L326 HydrophobicContact CZ-CB 4.08Å; F322-L326 HydrophobicContact CZ-CD1 4.4Å; F322-L326 HydrophobicContact CZ-CD2 3.91Å; F322-L326 HydrophobicContact CZ-CG 4.35Å; F322-L326 WeakPolarHBondContact O-CB 3.39Å; F322-L326 PolarHBondContact O-N 3.4Å |
| 323 | K | 85.1 | Confident | 79.5 | Confident | 170 Ų | 170 | 65.9 Ų | 65.9 | 74% | 0.739 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -59.7 | -34.5 | 179.2 | -70 | 179.5 | -179.5 | 173.1 | 0 | 112.8 | G321 K327 | G321-K323 PolarHBondContact O-N 2.87Å; G321-K323 VanDerWaalsContact O-N 3.08Å; K323-K327 WeakPolarHBondContact O-CB 3.29Å; K323-K327 PolarHBondContact O-N 3.4Å; K323-K327 VanDerWaalsContact O-N 3.08Å |
| 324 | E | 86.4 | Confident | 80.7 | Confident | 131 Ų | 131 | 70.5 Ų | 70.5 | 61% | 0.612 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -75.1 | -44.4 | 178.2 | -58.2 | -171.6 | 166.6 | 0 | 0 | 110.7 | G321 F322 L326 K327 E328 | G321-E324 WeakPolarHBondContact O-CB 3.46Å; G321-E324 PolarHBondContact O-N 3.49Å; F322-E324 PolarHBondContact O-N 3.21Å; E324-L326 VanDerWaalsContact C-N 3.3Å; E324-L326 PolarHBondContact O-N 3.24Å; E324-K327 WeakPolarHBondContact O-CB 3.47Å; E324-K327 PolarHBondContact O-N 3.31Å; E324-K327 VanDerWaalsContact O-N 3.13Å; E324-E328 PolarHBondContact O-N 2.92Å |
| 325 | R | 88.9 | Confident | 82 | Confident | 9 Ų | 9 | 70.2 Ų | 70.2 | 3% | 0.034 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.1 | -37.5 | 174.4 | -65.2 | -170.5 | -67.4 | -85.8 | -2.4 | 112.5 | W251 E299 A319 E320 G321 F322 F329 | W251-R325 WeakPolarHBondContact O-CD 3.5Å; E299-R325 IonicContact OE1-CZ 2.63Å; E299-R325 IonicContact OE1-NH2 2.75Å; E299-R325 PolarHBondContact OE1-NH2 3.05Å; E299-R325 IonicContact OE2-CZ 2.72Å; E299-R325 VanDerWaalsContact OE2-CZ 3.31Å; E299-R325 IonicContact OE2-NE 2.74Å; E299-R325 PolarHBondContact OE2-NE 3.42Å; E299-R325 IonicContact OE2-NH2 3.07Å; E299-R325 PolarHBondContact OE2-NH2 2.91Å; A319-R325 PolarHBondContact O-NH2 3.42Å; A319-R325 VanDerWaalsContact O-NH2 3.13Å; E320-R325 VanDerWaalsContact O-CZ 3.32Å; E320-R325 PolarHBondContact O-NH1 3.01Å; E320-R325 PolarHBondContact O-NH2 3.22Å; G321-R325 PolarHBondContact O-N 3.34Å; F322-R325 PolarHBondContact O-N 3Å; R325-F329 PolarHBondContact O-N 2.94Å |
| 326 | L | 88.5 | Confident | 83.8 | Confident | 22 Ų | 22 | 67.8 Ų | 67.8 | 12% | 0.115 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66.4 | -42.3 | 173.3 | 179.3 | 63.5 | 0 | 0 | 0 | 111.8 | V300 F322 E324 F329 Q330 | V300-L326 HydrophobicContact CG1-CD1 4.19Å; V300-L326 HydrophobicContact CG2-CD1 3.96Å; F322-L326 HydrophobicContact CE1-CD2 4.05Å; F322-L326 HydrophobicContact CE2-CB 4.14Å; F322-L326 HydrophobicContact CZ-CB 4.08Å; F322-L326 HydrophobicContact CZ-CD1 4.4Å; F322-L326 HydrophobicContact CZ-CD2 3.91Å; F322-L326 HydrophobicContact CZ-CG 4.35Å; F322-L326 WeakPolarHBondContact O-CB 3.39Å; F322-L326 PolarHBondContact O-N 3.4Å; E324-L326 VanDerWaalsContact C-N 3.3Å; E324-L326 PolarHBondContact O-N 3.24Å; L326-F329 PolarHBondContact O-N 2.74Å; L326-Q330 WeakPolarHBondContact O-CG 3.31Å; L326-Q330 PolarHBondContact O-N 2.92Å |
| 327 | K | 90 | Very high | 85.1 | Confident | 156 Ų | 156 | 67.9 Ų | 67.9 | 68% | 0.678 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -65.6 | -40.4 | 176 | -175.1 | -175 | 175.4 | -169 | 0 | 111.7 | K323 E324 Q330 S331 | K323-K327 WeakPolarHBondContact O-CB 3.29Å; K323-K327 PolarHBondContact O-N 3.4Å; K323-K327 VanDerWaalsContact O-N 3.08Å; E324-K327 WeakPolarHBondContact O-CB 3.47Å; E324-K327 PolarHBondContact O-N 3.31Å; E324-K327 VanDerWaalsContact O-N 3.13Å; K327-Q330 PolarHBondContact O-N 3.28Å; K327-S331 WeakPolarHBondContact O-CB 3.4Å; K327-S331 PolarHBondContact O-N 2.99Å |
| 328 | E | 90.9 | Very high | 86.3 | Confident | 39 Ų | 39 | 64.9 Ų | 64.9 | 18% | 0.182 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.5 | -45.7 | 174.1 | -168 | 102.1 | 146 | 0 | 0 | 110.9 | R265 F293 F294 V295 E324 Q330 S331 F332 | R265-E328 IonicContact CZ-OE1 3.89Å; R265-E328 IonicContact NH2-OE1 2.71Å; R265-E328 PolarHBondContact NH2-OE1 2.96Å; R265-E328 IonicContact NH2-OE2 3.9Å; R265-E328 PolarHBondContact NH2-OE2 3.47Å; F293-E328 HydrophobicContact CB-CG 4.07Å; F293-E328 HydrophobicContact CD1-CG 4.11Å; F294-E328 PolarHBondContact N-OE1 3.06Å; F294-E328 WeakPolarHBondContact O-CG 3.49Å; V295-E328 HydrophobicContact CG1-CG 4.24Å; E324-E328 PolarHBondContact O-N 2.92Å; E328-Q330 VanDerWaalsContact C-N 3.33Å; E328-Q330 PolarHBondContact O-N 2.81Å; E328-S331 WeakPolarHBondContact O-CA 3.31Å; E328-S331 VanDerWaalsContact O-CB 3.29Å; E328-S331 WeakPolarHBondContact O-CB 3.39Å; E328-S331 PolarHBondContact O-N 3.5Å; E328-S331 VanDerWaalsContact O-N 3.11Å; E328-F332 PolarHBondContact O-N 3.26Å |
| 329 | F | 92.7 | Very high | 86.9 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63 | -38 | 177.2 | -166.5 | -84.8 | 0 | 0 | 0 | 112.6 | V103 A106 M107 V295 V300 R325 L326 F332 E333 | V103-F329 HydrophobicContact CG1-CE2 4.48Å; A106-F329 HydrophobicContact CB-CE1 4.29Å; A106-F329 HydrophobicContact CB-CE2 4.25Å; A106-F329 HydrophobicContact CB-CZ 3.66Å; M107-F329 HydrophobicContact CG-CE1 4.23Å; M107-F329 HydrophobicContact CG-CZ 3.83Å; V295-F329 HydrophobicContact CB-CD2 3.98Å; V295-F329 HydrophobicContact CG1-CB 4.11Å; V295-F329 HydrophobicContact CG1-CD2 3.95Å; V295-F329 HydrophobicContact CG2-CD2 4.42Å; V300-F329 HydrophobicContact CG1-CD1 3.76Å; V300-F329 HydrophobicContact CG1-CE1 3.92Å; V300-F329 HydrophobicContact CG1-CG 4.12Å; V300-F329 HydrophobicContact CG1-CZ 4.44Å; V300-F329 HydrophobicContact CG2-CB 4Å; V300-F329 HydrophobicContact CG2-CD1 4.5Å; V300-F329 HydrophobicContact CG2-CD2 4.38Å; V300-F329 HydrophobicContact CG2-CG 4.05Å; R325-F329 PolarHBondContact O-N 2.94Å; L326-F329 PolarHBondContact O-N 2.74Å; F329-F332 WeakPolarHBondContact O-CB 3.32Å; F329-F332 PolarHBondContact O-N 3.13Å; F329-E333 HydrophobicContact CD1-CG 4.04Å; F329-E333 HydrophobicContact CE1-CG 3.85Å; F329-E333 WeakPolarHBondContact CE1-OE1 3.48Å; F329-E333 WeakPolarHBondContact O-CG 3.35Å; F329-E333 PolarHBondContact O-N 3.46Å |
| 330 | Q | 90.4 | Very high | 87.7 | Confident | 99 Ų | 99 | 62 Ų | 62 | 46% | 0.463 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67 | -35.5 | 172.8 | -71.8 | 171.5 | -0.5 | 0 | 0 | 112.3 | L326 K327 E328 R334 | L326-Q330 WeakPolarHBondContact O-CG 3.31Å; L326-Q330 PolarHBondContact O-N 2.92Å; K327-Q330 PolarHBondContact O-N 3.28Å; E328-Q330 VanDerWaalsContact C-N 3.33Å; E328-Q330 PolarHBondContact O-N 2.81Å; Q330-R334 WeakPolarHBondContact O-CB 3.25Å; Q330-R334 PolarHBondContact O-N 3.35Å |
| 331 | S | 90.8 | Very high | 88.3 | Confident | 62 Ų | 62 | 53.8 Ų | 53.8 | 43% | 0.434 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.3 | -44.8 | 173.7 | -164.5 | 0 | 0 | 0 | 0 | 111.1 | K327 E328 R334 R335 | K327-S331 WeakPolarHBondContact O-CB 3.4Å; K327-S331 PolarHBondContact O-N 2.99Å; E328-S331 WeakPolarHBondContact O-CA 3.31Å; E328-S331 VanDerWaalsContact O-CB 3.29Å; E328-S331 WeakPolarHBondContact O-CB 3.39Å; E328-S331 PolarHBondContact O-N 3.5Å; E328-S331 VanDerWaalsContact O-N 3.11Å; S331-R334 PolarHBondContact O-N 2.7Å; S331-R335 WeakPolarHBondContact O-CB 3.49Å; S331-R335 PolarHBondContact O-N 3.48Å |
| 332 | F | 92.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.5 | -55.4 | 171.4 | 162.9 | -112.4 | 0 | 0 | 0 | 111.4 | M107 V215 F245 L247 F293 E328 F329 R334 R335 F336 | M107-F332 HydrophobicContact CE-CE1 4.14Å; M107-F332 HydrophobicContact CE-CZ 4.4Å; M107-F332 HydrophobicContact SD-CE1 3.91Å; M107-F332 HydrophobicContact SD-CZ 4.39Å; V215-F332 HydrophobicContact CG1-CZ 4.39Å; F245-F332 HydrophobicContact CB-CE2 4.25Å; F245-F332 HydrophobicContact CD1-CE2 4.42Å; F245-F332 HydrophobicContact CG-CE2 4.22Å; L247-F332 HydrophobicContact CD1-CD1 4.33Å; L247-F332 HydrophobicContact CD1-CE1 3.85Å; L247-F332 HydrophobicContact CD1-CE2 4.31Å; L247-F332 HydrophobicContact CD1-CZ 3.84Å; L247-F332 HydrophobicContact CD2-CB 4.41Å; L247-F332 HydrophobicContact CD2-CD1 4.04Å; L247-F332 HydrophobicContact CD2-CD2 3.64Å; L247-F332 HydrophobicContact CD2-CE1 4.25Å; L247-F332 HydrophobicContact CD2-CE2 3.86Å; L247-F332 HydrophobicContact CD2-CG 3.73Å; L247-F332 HydrophobicContact CD2-CZ 4.17Å; L247-F332 HydrophobicContact CG-CE2 4.36Å; L247-F332 HydrophobicContact CG-CZ 4.37Å; F293-F332 HydrophobicContact CB-CB 4.3Å; F293-F332 HydrophobicContact CD1-CB 3.89Å; F293-F332 HydrophobicContact CD2-CB 3.9Å; F293-F332 AromaticContact CD2-CD2 3.76Å; F293-F332 HydrophobicContact CD2-CD2 3.76Å; F293-F332 HydrophobicContact CD2-CG 4.23Å; F293-F332 HydrophobicContact CE1-CB 4.14Å; F293-F332 HydrophobicContact CE2-CB 4.16Å; F293-F332 AromaticContact CE2-CD2 3.86Å; F293-F332 HydrophobicContact CE2-CD2 3.86Å; F293-F332 HydrophobicContact CG-CB 3.76Å; F293-F332 HydrophobicContact CG-CD2 4.45Å; F293-F332 HydrophobicContact CG-CG 4.48Å; F293-F332 HydrophobicContact CZ-CB 4.27Å; E328-F332 PolarHBondContact O-N 3.26Å; F329-F332 WeakPolarHBondContact O-CB 3.32Å; F329-F332 PolarHBondContact O-N 3.13Å; F332-R334 VanDerWaalsContact C-N 3.28Å; F332-R334 PolarHBondContact O-N 3.23Å; F332-R335 PolarHBondContact O-N 3Å; F332-F336 HydrophobicContact CD2-CB 4.27Å; F332-F336 HydrophobicContact CE2-CB 3.91Å; F332-F336 HydrophobicContact CE2-CD2 4.2Å; F332-F336 HydrophobicContact CE2-CG 4.3Å; F332-F336 HydrophobicContact CZ-CB 4.2Å; F332-F336 HydrophobicContact CZ-CD2 4.13Å; F332-F336 HydrophobicContact CZ-CG 4.21Å; F332-F336 WeakPolarHBondContact O-CB 3.39Å; F332-F336 PolarHBondContact O-N 2.97Å |
| 333 | E | 90 | Very high | 88.6 | Confident | 17 Ų | 17 | 58.2 Ų | 58.2 | 8% | 0.079 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -54 | -45.6 | -179.6 | -77.3 | 179 | 139.8 | 0 | 0 | 111.7 | R304 F329 F336 E337 | R304-E333 IonicContact CZ-OE1 3.59Å; R304-E333 IonicContact CZ-OE2 3.71Å; R304-E333 IonicContact NH1-OE1 2.58Å; R304-E333 PolarHBondContact NH1-OE1 2.65Å; R304-E333 IonicContact NH1-OE2 3.97Å; R304-E333 VanDerWaalsContact NH2-CD 3.3Å; R304-E333 IonicContact NH2-OE1 2.85Å; R304-E333 PolarHBondContact NH2-OE1 2.79Å; R304-E333 IonicContact NH2-OE2 2.69Å; R304-E333 PolarHBondContact NH2-OE2 2.95Å; F329-E333 HydrophobicContact CD1-CG 4.04Å; F329-E333 HydrophobicContact CE1-CG 3.85Å; F329-E333 WeakPolarHBondContact CE1-OE1 3.48Å; F329-E333 WeakPolarHBondContact O-CG 3.35Å; F329-E333 PolarHBondContact O-N 3.46Å; E333-F336 PolarHBondContact O-N 3.45Å; E333-E337 WeakPolarHBondContact O-CG 3.48Å; E333-E337 PolarHBondContact O-N 3.32Å |
| 334 | R | 89.1 | Confident | 88.7 | Confident | 169 Ų | 169 | 50.1 Ų | 50.1 | 64% | 0.638 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -62.6 | -52.6 | 177.9 | -180 | 178.2 | 174.3 | 163.6 | 3 | 112.4 | Q330 S331 F332 F336 E337 E338 | Q330-R334 WeakPolarHBondContact O-CB 3.25Å; Q330-R334 PolarHBondContact O-N 3.35Å; S331-R334 PolarHBondContact O-N 2.7Å; F332-R334 VanDerWaalsContact C-N 3.28Å; F332-R334 PolarHBondContact O-N 3.23Å; R334-F336 PolarHBondContact O-N 3.03Å; R334-E337 PolarHBondContact O-N 2.86Å; R334-E338 WeakPolarHBondContact CG-OE1 3.48Å; R334-E338 IonicContact CZ-OE1 3.84Å; R334-E338 IonicContact NE-OE1 3.04Å; R334-E338 PolarHBondContact NE-OE1 3.42Å; R334-E338 IonicContact NH2-OE1 3.31Å; R334-E338 PolarHBondContact NH2-OE1 2.93Å; R334-E338 WeakPolarHBondContact O-CG 3.25Å; R334-E338 PolarHBondContact O-N 2.72Å |
| 335 | R | 88.9 | Confident | 88.8 | Confident | 94 Ų | 94 | 43.9 Ų | 43.9 | 36% | 0.355 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -64.2 | -33.2 | -178.8 | 175.6 | 61.7 | 91.7 | 163.1 | 5.7 | 111.5 | F245 N290 F293 S331 F332 C339 | F245-R335 HydrophobicContact CE1-CG 3.95Å; F245-R335 HydrophobicContact CZ-CG 4.24Å; N290-R335 PolarHBondContact OD1-NH2 3.16Å; F293-R335 HydrophobicContact CZ-CB 4.14Å; F293-R335 HydrophobicContact CZ-CG 4.25Å; S331-R335 WeakPolarHBondContact O-CB 3.49Å; S331-R335 PolarHBondContact O-N 3.48Å; F332-R335 PolarHBondContact O-N 3Å; R335-C339 WeakPolarHBondContact O-CB 3.41Å; R335-C339 PolarHBondContact O-N 2.88Å |
| 336 | F | 90 | Very high | 88.7 | Confident | 1 Ų | 1 | 48 Ų | 48 | 0% | 0.004 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.2 | -50.4 | 172.7 | 169 | -96 | 0 | 0 | 0 | 111.8 | V90 M107 L186 V213 V215 F245 F332 E333 R334 E338 C339 I340 | V90-F336 HydrophobicContact CB-CE2 4.3Å; V90-F336 HydrophobicContact CB-CZ 4.21Å; V90-F336 HydrophobicContact CG1-CE2 3.68Å; V90-F336 HydrophobicContact CG1-CZ 3.99Å; V90-F336 HydrophobicContact CG2-CE2 3.79Å; V90-F336 HydrophobicContact CG2-CZ 3.64Å; M107-F336 HydrophobicContact CE-CD1 3.74Å; M107-F336 HydrophobicContact CE-CE1 3.42Å; M107-F336 VanDerWaalsContact CE-CE1 3.42Å; M107-F336 HydrophobicContact CE-CE2 4.49Å; M107-F336 HydrophobicContact CE-CG 4.39Å; M107-F336 HydrophobicContact CE-CZ 3.82Å; L186-F336 HydrophobicContact CD2-CE1 4.29Å; V213-F336 HydrophobicContact CG1-CD2 4.29Å; V213-F336 HydrophobicContact CG1-CE2 4.14Å; V215-F336 HydrophobicContact CG2-CE2 4.2Å; F245-F336 HydrophobicContact CD2-CD2 4.42Å; F245-F336 HydrophobicContact CE2-CD2 4.42Å; F332-F336 HydrophobicContact CD2-CB 4.27Å; F332-F336 HydrophobicContact CE2-CB 3.91Å; F332-F336 HydrophobicContact CE2-CD2 4.2Å; F332-F336 HydrophobicContact CE2-CG 4.3Å; F332-F336 HydrophobicContact CZ-CB 4.2Å; F332-F336 HydrophobicContact CZ-CD2 4.13Å; F332-F336 HydrophobicContact CZ-CG 4.21Å; F332-F336 WeakPolarHBondContact O-CB 3.39Å; F332-F336 PolarHBondContact O-N 2.97Å; E333-F336 PolarHBondContact O-N 3.45Å; R334-F336 PolarHBondContact O-N 3.03Å; F336-E338 VanDerWaalsContact C-N 3.33Å; F336-E338 PolarHBondContact O-N 2.93Å; F336-C339 PolarHBondContact O-N 3.09Å; F336-I340 HydrophobicContact CZ-CD1 4.48Å; F336-I340 WeakPolarHBondContact O-CB 3.42Å; F336-I340 WeakPolarHBondContact O-CG2 3.33Å; F336-I340 PolarHBondContact O-N 2.92Å |
| 337 | E | 88.4 | Confident | 88.4 | Confident | 33 Ų | 33 | 50.8 Ų | 50.8 | 15% | 0.154 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.1 | -41 | 176.4 | -73.1 | -173.9 | -149.9 | 0 | 0 | 112 | S18 P19 L20 L181 E333 R334 S341 | S18-E337 PolarHBondContact OG-OE2 3.44Å; P19-E337 HydrophobicContact CB-CB 4.1Å; P19-E337 WeakPolarHBondContact CD-OE2 3.43Å; P19-E337 HydrophobicContact CG-CB 4.14Å; L20-E337 HydrophobicContact CD1-CG 3.98Å; L20-E337 HydrophobicContact CD2-CB 4.01Å; L20-E337 HydrophobicContact CD2-CG 3.93Å; L20-E337 HydrophobicContact CG-CB 4.07Å; L20-E337 HydrophobicContact CG-CG 3.73Å; L181-E337 HydrophobicContact CD2-CG 4.33Å; L181-E337 WeakPolarHBondContact CD2-OE1 3.43Å; E333-E337 WeakPolarHBondContact O-CG 3.48Å; E333-E337 PolarHBondContact O-N 3.32Å; R334-E337 PolarHBondContact O-N 2.86Å; E337-S341 WeakPolarHBondContact O-CB 3.45Å; E337-S341 PolarHBondContact O-N 3.46Å; E337-S341 PolarHBondContact O-OG 2.97Å |
| 338 | E | 86.4 | Confident | 88.3 | Confident | 55 Ų | 55 | 44.2 Ų | 44.2 | 26% | 0.257 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.1 | -47.6 | 175.9 | -69.4 | 170.7 | -178.1 | 0 | 0 | 111.6 | P19 R334 F336 S341 Q342 | P19-E338 HydrophobicContact CB-CG 4.08Å; P19-E338 HydrophobicContact CG-CG 3.65Å; R334-E338 WeakPolarHBondContact CG-OE1 3.48Å; R334-E338 IonicContact CZ-OE1 3.84Å; R334-E338 IonicContact NE-OE1 3.04Å; R334-E338 PolarHBondContact NE-OE1 3.42Å; R334-E338 IonicContact NH2-OE1 3.31Å; R334-E338 PolarHBondContact NH2-OE1 2.93Å; R334-E338 WeakPolarHBondContact O-CG 3.25Å; R334-E338 PolarHBondContact O-N 2.72Å; F336-E338 VanDerWaalsContact C-N 3.33Å; F336-E338 PolarHBondContact O-N 2.93Å; E338-S341 PolarHBondContact O-OG 2.95Å; E338-S341 VanDerWaalsContact O-OG 3.08Å; E338-Q342 WeakPolarHBondContact O-CG 3.39Å; E338-Q342 PolarHBondContact O-N 3.28Å |
| 339 | C | 86.4 | Confident | 88.2 | Confident | 21 Ų | 21 | 42.3 Ų | 42.3 | 14% | 0.142 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.4 | -46 | -178 | -179.2 | 0 | 0 | 0 | 0 | 112.8 | F245 R335 F336 S341 S343 | F245-C339 HydrophobicContact CE2-CB 4.04Å; F245-C339 HydrophobicContact CZ-CB 3.75Å; R335-C339 WeakPolarHBondContact O-CB 3.41Å; R335-C339 PolarHBondContact O-N 2.88Å; F336-C339 PolarHBondContact O-N 3.09Å; C339-S341 PolarHBondContact O-N 2.91Å; C339-S343 WeakPolarHBondContact O-CB 3.41Å; C339-S343 PolarHBondContact O-N 3.47Å |
| 340 | I | 88.3 | Confident | 88.1 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.8 | -41.2 | -177.9 | -163.5 | -168.7 | 0 | 0 | 0 | 111.7 | L20 M88 V90 L186 D212 V213 F336 Q342 S343 A344 | L20-I340 HydrophobicContact CD2-CG2 3.46Å; L20-I340 VanDerWaalsContact CD2-CG2 3.46Å; M88-I340 HydrophobicContact CB-CD1 3.72Å; M88-I340 HydrophobicContact CB-CG1 4.36Å; M88-I340 HydrophobicContact CG-CD1 4.43Å; M88-I340 HydrophobicContact SD-CD1 4.16Å; M88-I340 HydrophobicContact SD-CG1 4.25Å; M88-I340 HydrophobicContact SD-CG2 4.24Å; V90-I340 HydrophobicContact CG2-CD1 3.22Å; V90-I340 HydrophobicContact CG2-CG1 4.13Å; L186-I340 HydrophobicContact CD1-CD1 3.3Å; D212-I340 HydrophobicContact CB-CG1 4.36Å; V213-I340 HydrophobicContact CB-CG1 4.48Å; V213-I340 HydrophobicContact CG2-CB 3.92Å; V213-I340 HydrophobicContact CG2-CG1 3.87Å; F336-I340 HydrophobicContact CZ-CD1 4.48Å; F336-I340 WeakPolarHBondContact O-CB 3.42Å; F336-I340 WeakPolarHBondContact O-CG2 3.33Å; F336-I340 PolarHBondContact O-N 2.92Å; I340-Q342 PolarHBondContact O-N 3.41Å; I340-S343 PolarHBondContact O-N 3.37Å; I340-A344 WeakPolarHBondContact O-CB 3.37Å; I340-A344 PolarHBondContact O-N 3.46Å |
| 341 | S | 86.9 | Confident | 88 | Confident | 4 Ų | 4 | 47 Ų | 47 | 3% | 0.028 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.2 | -42.1 | -177.5 | 56.4 | 0 | 0 | 0 | 0 | 111.6 | P19 E337 E338 C339 V345 | P19-S341 VanDerWaalsContact O-CB 3.29Å; P19-S341 WeakPolarHBondContact O-CB 3.45Å; P19-S341 PolarHBondContact O-OG 2.92Å; E337-S341 WeakPolarHBondContact O-CB 3.45Å; E337-S341 PolarHBondContact O-N 3.46Å; E337-S341 PolarHBondContact O-OG 2.97Å; E338-S341 PolarHBondContact O-OG 2.95Å; E338-S341 VanDerWaalsContact O-OG 3.08Å; C339-S341 PolarHBondContact O-N 2.91Å; S341-V345 WeakPolarHBondContact O-CB 3.19Å; S341-V345 WeakPolarHBondContact O-CG2 3.23Å; S341-V345 PolarHBondContact O-N 3.48Å |
| 342 | Q | 84.4 | Confident | 88 | Confident | 125 Ų | 125 | 45.2 Ų | 45.2 | 58% | 0.584 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -68.6 | -48.3 | 174.3 | -66.2 | 179.7 | -2.7 | 0 | 0 | 112.2 | E338 I340 V345 K346 | E338-Q342 WeakPolarHBondContact O-CG 3.39Å; E338-Q342 PolarHBondContact O-N 3.28Å; I340-Q342 PolarHBondContact O-N 3.41Å; Q342-V345 PolarHBondContact O-N 2.94Å; Q342-K346 PolarHBondContact O-N 2.9Å; Q342-K346 VanDerWaalsContact O-N 3.16Å |
| 343 | S | 84.9 | Confident | 87.9 | Confident | 16 Ų | 16 | 45.3 Ų | 45.3 | 11% | 0.112 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.8 | -53.6 | 179.6 | 179.5 | 0 | 0 | 0 | 0 | 111.3 | D212 N243 C339 I340 V345 K346 T347 | D212-S343 PolarHBondContact O-OG 2.95Å; D212-S343 VanDerWaalsContact O-OG 3.13Å; N243-S343 PolarHBondContact ND2-OG 3.05Å; C339-S343 WeakPolarHBondContact O-CB 3.41Å; C339-S343 PolarHBondContact O-N 3.47Å; I340-S343 PolarHBondContact O-N 3.37Å; S343-V345 PolarHBondContact O-N 3.47Å; S343-K346 PolarHBondContact O-N 3.49Å; S343-K346 VanDerWaalsContact O-N 3.16Å; S343-T347 WeakPolarHBondContact O-CG2 3.39Å; S343-T347 PolarHBondContact O-N 3.42Å; S343-T347 PolarHBondContact O-OG1 3.2Å |
| 344 | A | 87.2 | Confident | 88 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.8 | -36.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | F23 M88 D212 I340 K346 T347 K348 | F23-A344 HydrophobicContact CD2-CB 3.75Å; F23-A344 HydrophobicContact CE2-CB 3.84Å; M88-A344 HydrophobicContact CB-CB 4.37Å; M88-A344 HydrophobicContact CG-CB 3.64Å; M88-A344 HydrophobicContact SD-CB 4.18Å; D212-A344 HydrophobicContact CB-CB 4.08Å; I340-A344 WeakPolarHBondContact O-CB 3.37Å; I340-A344 PolarHBondContact O-N 3.46Å; A344-K346 VanDerWaalsContact C-N 3.31Å; A344-K346 PolarHBondContact O-N 3.12Å; A344-T347 WeakPolarHBondContact CA-OG1 3.19Å; A344-T347 PolarHBondContact O-OG1 2.71Å; A344-K348 WeakPolarHBondContact O-CB 3.22Å; A344-K348 VanDerWaalsContact O-CG 3.3Å; A344-K348 WeakPolarHBondContact O-CG 3.41Å; A344-K348 PolarHBondContact O-N 2.68Å |
| 345 | V | 89.1 | Confident | 88.1 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.5 | -45.4 | 172.8 | 162 | 0 | 0 | 0 | 0 | 110.3 | F23 A26 S341 Q342 S343 F349 Y750 L751 | F23-V345 HydrophobicContact CB-CG2 4.13Å; F23-V345 HydrophobicContact CD2-CG2 3.79Å; F23-V345 HydrophobicContact CG-CG2 4.39Å; A26-V345 HydrophobicContact CB-CG1 4.42Å; A26-V345 HydrophobicContact CB-CG2 3.77Å; S341-V345 WeakPolarHBondContact O-CB 3.19Å; S341-V345 WeakPolarHBondContact O-CG2 3.23Å; S341-V345 PolarHBondContact O-N 3.48Å; Q342-V345 PolarHBondContact O-N 2.94Å; S343-V345 PolarHBondContact O-N 3.47Å; V345-F349 HydrophobicContact CB-CD2 4.32Å; V345-F349 HydrophobicContact CG1-CD2 4.2Å; V345-F349 HydrophobicContact CG2-CD2 4.37Å; V345-F349 HydrophobicContact CG2-CE2 4.24Å; V345-F349 VanDerWaalsContact O-CB 3.32Å; V345-F349 WeakPolarHBondContact O-CB 3.42Å; V345-F349 WeakPolarHBondContact O-CD2 3.43Å; V345-F349 PolarHBondContact O-N 3.29Å; V345-Y750 WeakPolarHBondContact CG1-O 3.38Å; V345-L751 HydrophobicContact CG1-CD2 4.05Å |
| 346 | K | 86.7 | Confident | 88.3 | Confident | 95 Ų | 95 | 40.7 Ų | 40.7 | 41% | 0.413 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -67 | -59.8 | 179.3 | -171.1 | 170.6 | -175.8 | 172.1 | 0 | 112.2 | Q342 S343 A344 K348 F349 E350 | Q342-K346 PolarHBondContact O-N 2.9Å; Q342-K346 VanDerWaalsContact O-N 3.16Å; S343-K346 PolarHBondContact O-N 3.49Å; S343-K346 VanDerWaalsContact O-N 3.16Å; A344-K346 VanDerWaalsContact C-N 3.31Å; A344-K346 PolarHBondContact O-N 3.12Å; K346-K348 PolarHBondContact O-N 3.01Å; K346-F349 PolarHBondContact O-N 3.01Å; K346-E350 VanDerWaalsContact CE-CD 3.47Å; K346-E350 WeakPolarHBondContact CE-OE1 3.39Å; K346-E350 WeakPolarHBondContact CE-OE2 3.31Å; K346-E350 HydrophobicContact CG-CB 4.4Å; K346-E350 WeakPolarHBondContact CG-OE2 3.46Å; K346-E350 IonicContact NZ-OE1 3.53Å; K346-E350 WeakPolarHBondContact O-CB 3.42Å; K346-E350 PolarHBondContact O-N 3.49Å |
| 347 | T | 83.3 | Confident | 88.5 | Confident | 80 Ų | 80 | 43.1 Ų | 43.1 | 49% | 0.491 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -57.1 | -35.6 | -177.4 | 58.4 | 0 | 0 | 0 | 0 | 112.4 | D212 S343 A344 | D212-T347 PolarHBondContact OD1-OG1 2.88Å; S343-T347 WeakPolarHBondContact O-CG2 3.39Å; S343-T347 PolarHBondContact O-N 3.42Å; S343-T347 PolarHBondContact O-OG1 3.2Å; A344-T347 WeakPolarHBondContact CA-OG1 3.19Å; A344-T347 PolarHBondContact O-OG1 2.71Å |
| 348 | K | 86.4 | Confident | 88.8 | Confident | 18 Ų | 18 | 46.7 Ų | 46.7 | 8% | 0.078 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -93.6 | -21.3 | -174.5 | -59.9 | -173.1 | -148.3 | -84.4 | 0 | 115.1 | F23 R86 H87 D212 A344 K346 H352 | F23-K348 HydrophobicContact CE2-CD 3.99Å; F23-K348 HydrophobicContact CZ-CD 4.03Å; R86-K348 HydrophobicContact CB-CD 4.08Å; R86-K348 HydrophobicContact CG-CD 4.24Å; R86-K348 PolarHBondContact NH1-O 3.44Å; H87-K348 WeakPolarHBondContact O-CE 3.19Å; H87-K348 PolarHBondContact O-NZ 3.37Å; D212-K348 WeakPolarHBondContact OD1-CE 3.4Å; D212-K348 IonicContact OD1-NZ 2.73Å; D212-K348 PolarHBondContact OD1-NZ 2.87Å; D212-K348 WeakPolarHBondContact OD2-CE 3.39Å; D212-K348 IonicContact OD2-NZ 3.07Å; D212-K348 PolarHBondContact OD2-NZ 3.13Å; A344-K348 WeakPolarHBondContact O-CB 3.22Å; A344-K348 VanDerWaalsContact O-CG 3.3Å; A344-K348 WeakPolarHBondContact O-CG 3.41Å; A344-K348 PolarHBondContact O-N 2.68Å; K346-K348 PolarHBondContact O-N 3.01Å; K348-H352 PolarHBondContact O-CD2 3.17Å |
| 349 | F | 90.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -119.4 | -20.6 | -175.5 | -50.9 | -45.5 | 0 | 0 | 0 | 115.1 | F23 A26 K27 I30 L83 V345 K346 H352 T353 F746 L751 | F23-F349 AromaticContact CD2-CE2 3.99Å; F23-F349 HydrophobicContact CD2-CE2 3.99Å; F23-F349 HydrophobicContact CD2-CZ 4.34Å; F23-F349 AromaticContact CE2-CE2 3.64Å; F23-F349 HydrophobicContact CE2-CE2 3.64Å; F23-F349 AromaticContact CE2-CZ 3.6Å; F23-F349 HydrophobicContact CE2-CZ 3.6Å; F23-F349 HydrophobicContact CZ-CE2 4.24Å; F23-F349 AromaticContact CZ-CZ 3.75Å; F23-F349 HydrophobicContact CZ-CZ 3.75Å; A26-F349 HydrophobicContact CB-CD2 4.49Å; A26-F349 HydrophobicContact CB-CE2 4.24Å; K27-F349 HydrophobicContact CB-CE2 4.31Å; K27-F349 HydrophobicContact CB-CZ 3.76Å; K27-F349 HydrophobicContact CG-CZ 4.13Å; I30-F349 HydrophobicContact CG2-CD1 3.92Å; I30-F349 HydrophobicContact CG2-CE1 4.06Å; I30-F349 HydrophobicContact CG2-CG 4.19Å; I30-F349 HydrophobicContact CG2-CZ 4.43Å; L83-F349 HydrophobicContact CD2-CD1 3.51Å; L83-F349 HydrophobicContact CD2-CE1 3.75Å; V345-F349 HydrophobicContact CB-CD2 4.32Å; V345-F349 HydrophobicContact CG1-CD2 4.2Å; V345-F349 HydrophobicContact CG2-CD2 4.37Å; V345-F349 HydrophobicContact CG2-CE2 4.24Å; V345-F349 VanDerWaalsContact O-CB 3.32Å; V345-F349 WeakPolarHBondContact O-CB 3.42Å; V345-F349 WeakPolarHBondContact O-CD2 3.43Å; V345-F349 PolarHBondContact O-N 3.29Å; K346-F349 PolarHBondContact O-N 3.01Å; F349-H352 PolarHBondContact O-N 2.98Å; F349-T353 WeakPolarHBondContact O-CB 3.21Å; F349-T353 PolarHBondContact O-N 3.28Å; F349-T353 PolarHBondContact O-OG1 3.24Å; F349-F746 HydrophobicContact CB-CE1 4.19Å; F349-F746 HydrophobicContact CB-CZ 4.26Å; F349-F746 HydrophobicContact CD2-CZ 4.26Å; F349-F746 HydrophobicContact CG-CZ 4.5Å; F349-L751 HydrophobicContact CB-CD2 4.46Å |
| 350 | E | 89.1 | Confident | 89.6 | Confident | 64 Ų | 64 | 43.3 Ų | 43.3 | 30% | 0.299 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -57.7 | -55.2 | -176.4 | -175.4 | 170.2 | -139 | 0 | 0 | 112.7 | K346 H352 T353 I354 L751 | K346-E350 VanDerWaalsContact CE-CD 3.47Å; K346-E350 WeakPolarHBondContact CE-OE1 3.39Å; K346-E350 WeakPolarHBondContact CE-OE2 3.31Å; K346-E350 HydrophobicContact CG-CB 4.4Å; K346-E350 WeakPolarHBondContact CG-OE2 3.46Å; K346-E350 IonicContact NZ-OE1 3.53Å; K346-E350 WeakPolarHBondContact O-CB 3.42Å; K346-E350 PolarHBondContact O-N 3.49Å; E350-H352 VanDerWaalsContact C-N 3.33Å; E350-H352 PolarHBondContact O-N 3.12Å; E350-T353 WeakPolarHBondContact O-CB 3.47Å; E350-T353 PolarHBondContact O-N 2.92Å; E350-I354 HydrophobicContact CG-CD1 4.12Å; E350-I354 WeakPolarHBondContact O-CG1 3.41Å; E350-I354 PolarHBondContact O-N 3.43Å; E350-L751 HydrophobicContact CB-CD1 4.48Å; E350-L751 HydrophobicContact CB-CD2 4.16Å |
| 351 | Q | 87.9 | Confident | 89.9 | Confident | 132 Ų | 132 | 48.1 Ų | 48.1 | 62% | 0.617 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -63 | -36.9 | -178.2 | -66.8 | -61.9 | -34.8 | 0 | 0 | 113.2 | R355 | Q351-R355 WeakPolarHBondContact O-CB 3.36Å; Q351-R355 PolarHBondContact O-N 3.25Å |
| 352 | H | 91.1 | Very high | 90.2 | Very high | 26 Ų | 26 | 53 Ų | 53 | 12% | 0.12 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -70.9 | -38.9 | 176.8 | -67.8 | -46.4 | 0 | 0 | 0 | 111.5 | F34 I79 R86 K348 F349 E350 R355 A356 | F34-H352 HydrophobicContact CE2-CB 4.5Å; F34-H352 HydrophobicContact CZ-CB 4Å; F34-H352 WeakPolarHBondContact CZ-O 3.41Å; I79-H352 HydrophobicContact CG2-CB 4.05Å; R86-H352 PolarHBondContact NH1-NE2 3.1Å; K348-H352 PolarHBondContact O-CD2 3.17Å; F349-H352 PolarHBondContact O-N 2.98Å; E350-H352 VanDerWaalsContact C-N 3.33Å; E350-H352 PolarHBondContact O-N 3.12Å; H352-R355 PolarHBondContact O-N 3.25Å; H352-A356 WeakPolarHBondContact O-CB 3.27Å; H352-A356 PolarHBondContact O-N 2.88Å |
| 353 | T | 91.9 | Very high | 90.6 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.012 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.9 | -44.4 | 174.7 | -57 | 0 | 0 | 0 | 0 | 111.4 | F349 E350 A356 K357 L743 F746 L751 | F349-T353 WeakPolarHBondContact O-CB 3.21Å; F349-T353 PolarHBondContact O-N 3.28Å; F349-T353 PolarHBondContact O-OG1 3.24Å; E350-T353 WeakPolarHBondContact O-CB 3.47Å; E350-T353 PolarHBondContact O-N 2.92Å; T353-A356 PolarHBondContact O-N 2.93Å; T353-K357 WeakPolarHBondContact O-CG 3.44Å; T353-K357 PolarHBondContact O-N 3.27Å; T353-K357 VanDerWaalsContact O-N 3.09Å; T353-L743 HydrophobicContact CG2-CD2 4.25Å; T353-F746 HydrophobicContact CG2-CD1 4.4Å; T353-L751 HydrophobicContact CG2-CD1 4.09Å |
| 354 | I | 91 | Very high | 91 | Very high | 74 Ų | 74 | 48.4 Ų | 48.4 | 38% | 0.379 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.2 | -47.5 | 174.8 | -66.6 | 164.1 | 0 | 0 | 0 | 110.5 | E350 A356 K357 Q358 | E350-I354 HydrophobicContact CG-CD1 4.12Å; E350-I354 WeakPolarHBondContact O-CG1 3.41Å; E350-I354 PolarHBondContact O-N 3.43Å; I354-A356 VanDerWaalsContact C-N 3.34Å; I354-A356 PolarHBondContact O-N 3.16Å; I354-K357 PolarHBondContact O-N 3.43Å; I354-Q358 WeakPolarHBondContact O-CG 3.46Å; I354-Q358 PolarHBondContact O-N 3.38Å |
| 355 | R | 91.9 | Very high | 91.3 | Very high | 108 Ų | 108 | 52.3 Ų | 52.3 | 41% | 0.408 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.2 | -35.2 | 179.5 | -172.4 | 169.7 | 176.6 | 168.9 | -2.7 | 112.9 | I79 Q351 H352 Q358 I359 | I79-R355 HydrophobicContact CD1-CG 4.43Å; Q351-R355 WeakPolarHBondContact O-CB 3.36Å; Q351-R355 PolarHBondContact O-N 3.25Å; H352-R355 PolarHBondContact O-N 3.25Å; R355-Q358 PolarHBondContact O-N 3.17Å; R355-I359 HydrophobicContact CG-CD1 4.28Å; R355-I359 VanDerWaalsContact O-CG1 3.3Å; R355-I359 WeakPolarHBondContact O-CG1 3.44Å; R355-I359 PolarHBondContact O-N 3.48Å |
| 356 | A | 93.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.7 | -45.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F34 L37 H352 T353 I354 Q358 I359 I360 L743 | F34-A356 HydrophobicContact CE1-CB 4.33Å; F34-A356 HydrophobicContact CE2-CB 4.05Å; F34-A356 HydrophobicContact CZ-CB 3.69Å; L37-A356 HydrophobicContact CD2-CB 3.79Å; H352-A356 WeakPolarHBondContact O-CB 3.27Å; H352-A356 PolarHBondContact O-N 2.88Å; T353-A356 PolarHBondContact O-N 2.93Å; I354-A356 VanDerWaalsContact C-N 3.34Å; I354-A356 PolarHBondContact O-N 3.16Å; A356-Q358 PolarHBondContact O-N 2.88Å; A356-I359 PolarHBondContact O-N 3.38Å; A356-I360 WeakPolarHBondContact O-CG1 3.49Å; A356-I360 PolarHBondContact O-N 2.93Å; A356-L743 HydrophobicContact CB-CD1 3.9Å; A356-L743 HydrophobicContact CB-CD2 4.46Å |
| 357 | K | 93.6 | Very high | 91.7 | Very high | 52 Ų | 52 | 48.6 Ų | 48.6 | 23% | 0.226 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.5 | -46.2 | 174.8 | -70.2 | -175.5 | -178.7 | -173.4 | 0 | 112 | T353 I354 I359 I360 E361 L743 T747 | T353-K357 WeakPolarHBondContact O-CG 3.44Å; T353-K357 PolarHBondContact O-N 3.27Å; T353-K357 VanDerWaalsContact O-N 3.09Å; I354-K357 PolarHBondContact O-N 3.43Å; K357-I359 VanDerWaalsContact C-N 3.31Å; K357-I359 PolarHBondContact O-N 3.28Å; K357-I360 PolarHBondContact O-N 3.34Å; K357-E361 WeakPolarHBondContact O-CB 3.47Å; K357-E361 PolarHBondContact O-N 3.38Å; K357-L743 HydrophobicContact CG-CB 4.32Å; K357-L743 HydrophobicContact CG-CD1 4.25Å; K357-T747 PolarHBondContact NZ-OG1 3.32Å |
| 358 | Q | 94.5 | Very high | 92.1 | Very high | 108 Ų | 108 | 46.5 Ų | 46.5 | 51% | 0.505 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58.9 | -39.7 | 175.5 | -70.7 | 173.1 | -11.1 | 0 | 0 | 112.7 | I354 R355 A356 K362 | I354-Q358 WeakPolarHBondContact O-CG 3.46Å; I354-Q358 PolarHBondContact O-N 3.38Å; R355-Q358 PolarHBondContact O-N 3.17Å; A356-Q358 PolarHBondContact O-N 2.88Å; Q358-K362 VanDerWaalsContact O-CG 3.27Å; Q358-K362 WeakPolarHBondContact O-CG 3.37Å; Q358-K362 PolarHBondContact O-N 3.26Å |
| 359 | I | 94.3 | Very high | 92.3 | Very high | 6 Ų | 6 | 47.6 Ų | 47.6 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.1 | -44.6 | 176.7 | -70.4 | 169.7 | 0 | 0 | 0 | 110.8 | V41 Y72 L76 R355 A356 K357 E361 K362 V363 | V41-I359 HydrophobicContact CG2-CG2 4.49Å; Y72-I359 HydrophobicContact CD1-CD1 4.26Å; Y72-I359 HydrophobicContact CD1-CG1 3.76Å; Y72-I359 HydrophobicContact CD1-CG2 4.23Å; Y72-I359 HydrophobicContact CE1-CG1 4.27Å; Y72-I359 HydrophobicContact CG-CG1 4.41Å; Y72-I359 HydrophobicContact CG-CG2 4.01Å; L76-I359 HydrophobicContact CD1-CG2 4.07Å; L76-I359 HydrophobicContact CD2-CD1 3.95Å; L76-I359 HydrophobicContact CG-CD1 4.06Å; R355-I359 HydrophobicContact CG-CD1 4.28Å; R355-I359 VanDerWaalsContact O-CG1 3.3Å; R355-I359 WeakPolarHBondContact O-CG1 3.44Å; R355-I359 PolarHBondContact O-N 3.48Å; A356-I359 PolarHBondContact O-N 3.38Å; K357-I359 VanDerWaalsContact C-N 3.31Å; K357-I359 PolarHBondContact O-N 3.28Å; I359-E361 PolarHBondContact O-N 3.41Å; I359-K362 PolarHBondContact O-N 2.71Å; I359-V363 HydrophobicContact CG2-CG2 4.36Å; I359-V363 WeakPolarHBondContact O-CG2 3.49Å; I359-V363 PolarHBondContact O-N 3.42Å |
| 360 | I | 94.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.7 | -48.6 | 175.9 | -68.9 | 166.5 | 0 | 0 | 0 | 110.4 | L37 A356 K357 K362 V363 K364 A736 L739 E740 L743 | L37-I360 HydrophobicContact CD1-CD1 3.87Å; L37-I360 HydrophobicContact CD1-CG1 3.4Å; L37-I360 VanDerWaalsContact CD1-CG1 3.4Å; L37-I360 HydrophobicContact CD2-CD1 4.21Å; L37-I360 HydrophobicContact CD2-CG1 4.23Å; L37-I360 HydrophobicContact CG-CG1 4.48Å; A356-I360 WeakPolarHBondContact O-CG1 3.49Å; A356-I360 PolarHBondContact O-N 2.93Å; K357-I360 PolarHBondContact O-N 3.34Å; I360-K362 VanDerWaalsContact C-N 3.33Å; I360-K362 PolarHBondContact O-N 3.14Å; I360-V363 PolarHBondContact O-N 3.05Å; I360-K364 WeakPolarHBondContact O-CB 3.43Å; I360-K364 PolarHBondContact O-N 3.26Å; I360-A736 HydrophobicContact CG2-CB 4.14Å; I360-L739 HydrophobicContact CD1-CB 4.03Å; I360-E740 HydrophobicContact CG2-CB 4.28Å; I360-L743 HydrophobicContact CD1-CD1 3.39Å |
| 361 | E | 94.8 | Very high | 92.5 | Very high | 100 Ų | 100 | 45.7 Ų | 45.7 | 47% | 0.467 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -57.4 | -44.1 | 178.1 | -168.4 | -166.2 | 164.9 | 0 | 0 | 111.7 | K357 I359 N365 | K357-E361 WeakPolarHBondContact O-CB 3.47Å; K357-E361 PolarHBondContact O-N 3.38Å; I359-E361 PolarHBondContact O-N 3.41Å; E361-N365 WeakPolarHBondContact O-CB 3.18Å; E361-N365 PolarHBondContact O-N 3.07Å; E361-N365 PolarHBondContact O-ND2 3.15Å |
| 362 | K | 93.8 | Very high | 92.7 | Very high | 106 Ų | 106 | 43.7 Ų | 43.7 | 46% | 0.461 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64.7 | -47 | 177.2 | -70.4 | -69.5 | 175.1 | -171.9 | 0 | 112.7 | Y72 Q358 I359 I360 K364 N365 I366 | Y72-K362 HydrophobicContact CE2-CB 4.04Å; Q358-K362 VanDerWaalsContact O-CG 3.27Å; Q358-K362 WeakPolarHBondContact O-CG 3.37Å; Q358-K362 PolarHBondContact O-N 3.26Å; I359-K362 PolarHBondContact O-N 2.71Å; I360-K362 VanDerWaalsContact C-N 3.33Å; I360-K362 PolarHBondContact O-N 3.14Å; K362-K364 VanDerWaalsContact C-N 3.34Å; K362-K364 PolarHBondContact O-N 3.07Å; K362-N365 PolarHBondContact O-N 3.49Å; K362-I366 WeakPolarHBondContact O-CG1 3.38Å; K362-I366 PolarHBondContact O-N 2.97Å; K362-I366 VanDerWaalsContact O-N 3.09Å |
| 363 | V | 93.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66 | -38.2 | 178.8 | 177.6 | 0 | 0 | 0 | 0 | 111.2 | Y40 V41 T44 Y72 I359 I360 I366 M367 | Y40-V363 HydrophobicContact CE1-CB 4.42Å; Y40-V363 HydrophobicContact CE1-CG1 3.83Å; V41-V363 HydrophobicContact CG2-CG2 4.34Å; T44-V363 HydrophobicContact CG2-CG1 3.58Å; Y72-V363 HydrophobicContact CD2-CG2 4.06Å; I359-V363 HydrophobicContact CG2-CG2 4.36Å; I359-V363 WeakPolarHBondContact O-CG2 3.49Å; I359-V363 PolarHBondContact O-N 3.42Å; I360-V363 PolarHBondContact O-N 3.05Å; V363-I366 PolarHBondContact O-N 3.03Å; V363-M367 WeakPolarHBondContact O-CB 3.31Å; V363-M367 PolarHBondContact O-N 2.93Å |
| 364 | K | 93.1 | Very high | 92.6 | Very high | 45 Ų | 45 | 46.1 Ų | 46.1 | 20% | 0.196 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.6 | -46.3 | 173.7 | -174.1 | -178.2 | -176.3 | -178.3 | 0 | 111.7 | I360 K362 I366 M367 D368 R733 A736 E740 | I360-K364 WeakPolarHBondContact O-CB 3.43Å; I360-K364 PolarHBondContact O-N 3.26Å; K362-K364 VanDerWaalsContact C-N 3.34Å; K362-K364 PolarHBondContact O-N 3.07Å; K364-I366 PolarHBondContact O-N 3.25Å; K364-M367 WeakPolarHBondContact O-CB 3.43Å; K364-M367 PolarHBondContact O-N 2.97Å; K364-M367 VanDerWaalsContact O-N 3.13Å; K364-D368 PolarHBondContact O-N 2.99Å; K364-R733 HydrophobicContact CG-CG 4.26Å; K364-A736 HydrophobicContact CB-CB 4.4Å; K364-A736 HydrophobicContact CG-CB 4.48Å; K364-E740 IonicContact NZ-OE1 2.83Å; K364-E740 IonicContact NZ-OE2 3.31Å; K364-E740 PolarHBondContact NZ-OE2 2.89Å |
| 365 | N | 92.8 | Very high | 92.7 | Very high | 83 Ų | 83 | 44 Ų | 44 | 44% | 0.444 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.2 | -39.7 | 175.9 | -73.9 | -38.7 | 0 | 0 | 0 | 112.9 | E361 K362 M367 D368 A369 | E361-N365 WeakPolarHBondContact O-CB 3.18Å; E361-N365 PolarHBondContact O-N 3.07Å; E361-N365 PolarHBondContact O-ND2 3.15Å; K362-N365 PolarHBondContact O-N 3.49Å; N365-M367 VanDerWaalsContact C-N 3.33Å; N365-D368 PolarHBondContact O-N 3.38Å; N365-A369 PolarHBondContact O-N 2.93Å; N365-A369 VanDerWaalsContact O-N 3.07Å |
| 366 | I | 91.6 | Very high | 92.7 | Very high | 16 Ų | 16 | 44.8 Ų | 44.8 | 8% | 0.082 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.4 | -42.1 | 173.1 | -64.4 | 165.3 | 0 | 0 | 0 | 110.3 | Q65 I69 K362 V363 K364 A369 I370 | Q65-I366 HydrophobicContact CB-CG2 4.08Å; Q65-I366 HydrophobicContact CG-CG2 3.9Å; I69-I366 HydrophobicContact CD1-CD1 4.35Å; I69-I366 HydrophobicContact CD1-CG2 4.08Å; I69-I366 HydrophobicContact CG1-CD1 3.98Å; K362-I366 WeakPolarHBondContact O-CG1 3.38Å; K362-I366 PolarHBondContact O-N 2.97Å; K362-I366 VanDerWaalsContact O-N 3.09Å; V363-I366 PolarHBondContact O-N 3.03Å; K364-I366 PolarHBondContact O-N 3.25Å; I366-A369 PolarHBondContact O-N 2.93Å; I366-I370 HydrophobicContact CG2-CD1 4.01Å; I366-I370 WeakPolarHBondContact O-CG1 3.32Å; I366-I370 PolarHBondContact O-N 3.36Å |
| 367 | M | 91.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.5 | -39.6 | 178.5 | -164.3 | 57 | 60.2 | 0 | 0 | 112.6 | T44 F47 V363 K364 N365 I370 N371 S729 L732 | T44-M367 HydrophobicContact CG2-CE 3.34Å; F47-M367 HydrophobicContact CD1-CE 3.97Å; F47-M367 HydrophobicContact CD1-SD 4.1Å; F47-M367 HydrophobicContact CE1-CE 4.18Å; F47-M367 HydrophobicContact CE1-SD 3.68Å; V363-M367 WeakPolarHBondContact O-CB 3.31Å; V363-M367 PolarHBondContact O-N 2.93Å; K364-M367 WeakPolarHBondContact O-CB 3.43Å; K364-M367 PolarHBondContact O-N 2.97Å; K364-M367 VanDerWaalsContact O-N 3.13Å; N365-M367 VanDerWaalsContact C-N 3.33Å; M367-I370 PolarHBondContact O-N 3.01Å; M367-N371 WeakPolarHBondContact O-CB 3.46Å; M367-N371 PolarHBondContact O-N 3.23Å; M367-S729 WeakPolarHBondContact CG-O 3.22Å; M367-S729 WeakPolarHBondContact CG-OG 3.47Å; M367-S729 PolarHBondContact O-OG 3.43Å; M367-S729 VanDerWaalsContact O-OG 3.11Å; M367-S729 VanDerWaalsContact SD-CA 3.58Å; M367-S729 PolarHBondContact SD-OG 3.47Å; M367-L732 HydrophobicContact CE-CB 3.96Å; M367-L732 HydrophobicContact CE-CD1 3.5Å; M367-L732 HydrophobicContact CE-CG 4.37Å; M367-L732 HydrophobicContact CG-CB 4.25Å; M367-L732 HydrophobicContact SD-CB 4.15Å; M367-L732 HydrophobicContact SD-CD1 4.04Å |
| 368 | D | 91.9 | Very high | 92.5 | Very high | 37 Ų | 37 | 48.5 Ų | 48.5 | 20% | 0.198 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.7 | -40.8 | 174.9 | -84.2 | -49.1 | 0 | 0 | 0 | 112 | K364 N365 N371 I372 R733 | K364-D368 PolarHBondContact O-N 2.99Å; N365-D368 PolarHBondContact O-N 3.38Å; D368-N371 PolarHBondContact O-N 2.82Å; D368-I372 VanDerWaalsContact O-CG1 3.28Å; D368-I372 WeakPolarHBondContact O-CG1 3.35Å; D368-I372 PolarHBondContact O-N 3.41Å; D368-R733 WeakPolarHBondContact OD1-CD 3.39Å; D368-R733 IonicContact OD1-CZ 2.8Å; D368-R733 IonicContact OD1-NE 2.68Å; D368-R733 IonicContact OD1-NH1 3.78Å; D368-R733 PolarHBondContact OD1-NH1 2.74Å |
| 369 | A | 91 | Very high | 92.4 | Very high | 40 Ų | 40 | 46.5 Ų | 46.5 | 33% | 0.331 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.1 | -46.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | N365 I366 N371 I372 E373 | N365-A369 PolarHBondContact O-N 2.93Å; N365-A369 VanDerWaalsContact O-N 3.07Å; I366-A369 PolarHBondContact O-N 2.93Å; A369-N371 VanDerWaalsContact C-N 3.32Å; A369-N371 PolarHBondContact O-N 3.45Å; A369-I372 PolarHBondContact O-N 2.99Å; A369-E373 PolarHBondContact O-N 3.37Å |
| 370 | I | 90.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.7 | -42.3 | 175 | -72.5 | 169 | 0 | 0 | 0 | 111.4 | F47 V48 I51 I60 A61 I366 M367 I372 A374 V725 | F47-I370 HydrophobicContact CE1-CG2 4.33Å; V48-I370 HydrophobicContact CG2-CD1 3.72Å; I51-I370 HydrophobicContact CD1-CG2 4.09Å; I60-I370 HydrophobicContact CG2-CG2 4.05Å; A61-I370 HydrophobicContact CB-CD1 4.2Å; A61-I370 HydrophobicContact CB-CG1 4.39Å; I366-I370 HydrophobicContact CG2-CD1 4.01Å; I366-I370 WeakPolarHBondContact O-CG1 3.32Å; I366-I370 PolarHBondContact O-N 3.36Å; M367-I370 PolarHBondContact O-N 3.01Å; I370-I372 VanDerWaalsContact C-N 3.34Å; I370-I372 PolarHBondContact O-N 3.49Å; I370-A374 WeakPolarHBondContact O-CB 3.2Å; I370-A374 PolarHBondContact O-N 3.48Å; I370-V725 HydrophobicContact CG2-CG1 4.29Å |
| 371 | N | 92.4 | Very high | 92.2 | Very high | 24 Ų | 24 | 49.1 Ų | 49.1 | 13% | 0.128 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.8 | -35.1 | 178.2 | 178.5 | 64.5 | 0 | 0 | 0 | 113 | M367 D368 A369 A375 Q726 S729 | M367-N371 WeakPolarHBondContact O-CB 3.46Å; M367-N371 PolarHBondContact O-N 3.23Å; D368-N371 PolarHBondContact O-N 2.82Å; A369-N371 VanDerWaalsContact C-N 3.32Å; A369-N371 PolarHBondContact O-N 3.45Å; N371-A375 WeakPolarHBondContact O-CB 3.44Å; N371-A375 PolarHBondContact O-N 3.44Å; N371-Q726 PolarHBondContact O-NE2 3.35Å; N371-S729 WeakPolarHBondContact CB-OG 3.44Å |
| 372 | I | 92.1 | Very high | 92.1 | Very high | 90 Ų | 90 | 46.4 Ų | 46.4 | 46% | 0.462 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -70.8 | -52.4 | 177.3 | -68.4 | 163.4 | 0 | 0 | 0 | 110.3 | D368 A369 I370 A374 A375 E376 | D368-I372 VanDerWaalsContact O-CG1 3.28Å; D368-I372 WeakPolarHBondContact O-CG1 3.35Å; D368-I372 PolarHBondContact O-N 3.41Å; A369-I372 PolarHBondContact O-N 2.99Å; I370-I372 VanDerWaalsContact C-N 3.34Å; I370-I372 PolarHBondContact O-N 3.49Å; I372-A374 VanDerWaalsContact C-N 3.28Å; I372-A374 PolarHBondContact O-N 2.99Å; I372-A375 WeakPolarHBondContact O-CA 3.46Å; I372-A375 WeakPolarHBondContact O-CB 3.35Å; I372-A375 PolarHBondContact O-N 3.2Å; I372-E376 PolarHBondContact O-N 2.98Å |
| 373 | E | 90.9 | Very high | 92.2 | Very high | 79 Ų | 79 | 47.3 Ų | 47.3 | 37% | 0.369 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.8 | -38 | 178 | -73.9 | -164.2 | -168.1 | 0 | 0 | 112.2 | T59 I60 A369 A375 E376 K377 | T59-E373 VanDerWaalsContact O-OE2 3.07Å; I60-E373 WeakPolarHBondContact CA-OE2 3Å; I60-E373 HydrophobicContact CG2-CB 4.28Å; A369-E373 PolarHBondContact O-N 3.37Å; E373-A375 VanDerWaalsContact C-N 3.29Å; E373-A375 PolarHBondContact O-N 2.94Å; E373-E376 PolarHBondContact O-N 3.35Å; E373-K377 WeakPolarHBondContact O-CB 3.38Å; E373-K377 WeakPolarHBondContact O-CG 3.45Å; E373-K377 PolarHBondContact O-N 3.28Å |
| 374 | A | 91.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.1 | -30.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I60 I370 I372 R378 L722 V725 Q726 | I60-A374 HydrophobicContact CD1-CB 4.47Å; I60-A374 HydrophobicContact CG2-CB 4.27Å; I370-A374 WeakPolarHBondContact O-CB 3.2Å; I370-A374 PolarHBondContact O-N 3.48Å; I372-A374 VanDerWaalsContact C-N 3.28Å; I372-A374 PolarHBondContact O-N 2.99Å; A374-R378 VanDerWaalsContact O-CB 3.22Å; A374-R378 WeakPolarHBondContact O-CB 3.24Å; A374-R378 PolarHBondContact O-N 3.49Å; A374-R378 VanDerWaalsContact O-N 3.15Å; A374-L722 HydrophobicContact CB-CD2 4.42Å; A374-V725 HydrophobicContact CB-CG1 3.86Å; A374-Q726 HydrophobicContact CB-CG 3.82Å |
| 375 | A | 91.8 | Very high | 92.2 | Very high | 29 Ų | 29 | 53.4 Ų | 53.4 | 24% | 0.24 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.8 | -51.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | N371 I372 E373 R378 V379 | N371-A375 WeakPolarHBondContact O-CB 3.44Å; N371-A375 PolarHBondContact O-N 3.44Å; I372-A375 WeakPolarHBondContact O-CA 3.46Å; I372-A375 WeakPolarHBondContact O-CB 3.35Å; I372-A375 PolarHBondContact O-N 3.2Å; E373-A375 VanDerWaalsContact C-N 3.29Å; E373-A375 PolarHBondContact O-N 2.94Å; A375-R378 PolarHBondContact O-N 3.36Å; A375-R378 VanDerWaalsContact O-N 3.14Å; A375-V379 WeakPolarHBondContact O-CG2 3.28Å; A375-V379 PolarHBondContact O-N 3.03Å |
| 376 | E | 91.8 | Very high | 92.3 | Very high | 125 Ų | 125 | 55 Ų | 55 | 58% | 0.584 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -61.6 | -47.5 | -176.6 | -68.4 | 175.7 | 173.8 | 0 | 0 | 110.8 | I372 E373 R378 V379 A380 | I372-E376 PolarHBondContact O-N 2.98Å; E373-E376 PolarHBondContact O-N 3.35Å; E376-R378 VanDerWaalsContact C-N 3.31Å; E376-R378 PolarHBondContact O-N 3.44Å; E376-V379 PolarHBondContact O-N 3.05Å; E376-A380 PolarHBondContact O-N 3.36Å |
| 377 | K | 90.3 | Very high | 92.4 | Very high | 65 Ų | 65 | 61.4 Ų | 61.4 | 28% | 0.283 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.9 | -34.4 | 174.3 | -73.8 | 177.8 | -179 | 171.3 | 0 | 113.3 | L57 T59 I60 E373 A381 L722 | L57-K377 PolarHBondContact O-NZ 3.21Å; L57-K377 VanDerWaalsContact O-NZ 3.09Å; T59-K377 PolarHBondContact O-NZ 2.92Å; I60-K377 HydrophobicContact CD1-CD 4.19Å; I60-K377 HydrophobicContact CG1-CD 3.81Å; E373-K377 WeakPolarHBondContact O-CB 3.38Å; E373-K377 WeakPolarHBondContact O-CG 3.45Å; E373-K377 PolarHBondContact O-N 3.28Å; K377-A381 VanDerWaalsContact O-CB 3.25Å; K377-A381 WeakPolarHBondContact O-CB 3.48Å; K377-A381 PolarHBondContact O-N 3.04Å; K377-L722 HydrophobicContact CB-CD1 4.17Å; K377-L722 HydrophobicContact CB-CD2 4.05Å |
| 378 | R | 92.6 | Very high | 92.4 | Very high | 65 Ų | 65 | 63.4 Ų | 63.4 | 25% | 0.245 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -69.1 | -38.3 | 177.1 | -167.1 | -179.6 | 65 | 76.3 | 16.9 | 111.3 | A374 A375 E376 L382 I719 L722 | A374-R378 VanDerWaalsContact O-CB 3.22Å; A374-R378 WeakPolarHBondContact O-CB 3.24Å; A374-R378 PolarHBondContact O-N 3.49Å; A374-R378 VanDerWaalsContact O-N 3.15Å; A375-R378 PolarHBondContact O-N 3.36Å; A375-R378 VanDerWaalsContact O-N 3.14Å; E376-R378 VanDerWaalsContact C-N 3.31Å; E376-R378 PolarHBondContact O-N 3.44Å; R378-L382 HydrophobicContact CG-CD1 4.33Å; R378-L382 WeakPolarHBondContact O-CB 3.48Å; R378-L382 WeakPolarHBondContact O-CD1 3.41Å; R378-L382 WeakPolarHBondContact O-CG 3.27Å; R378-L382 PolarHBondContact O-N 3.32Å; R378-I719 HydrophobicContact CG-CG2 4.18Å; R378-L722 HydrophobicContact CB-CB 4Å; R378-L722 HydrophobicContact CB-CD1 4.2Å; R378-L722 HydrophobicContact CG-CB 4.12Å |
| 379 | V | 93.7 | Very high | 92.5 | Very high | 66 Ų | 66 | 67.4 Ų | 67.4 | 40% | 0.4 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.9 | -50.8 | 173.9 | 174 | 0 | 0 | 0 | 0 | 110.4 | A375 E376 A381 L382 E383 | A375-V379 WeakPolarHBondContact O-CG2 3.28Å; A375-V379 PolarHBondContact O-N 3.03Å; E376-V379 PolarHBondContact O-N 3.05Å; V379-A381 VanDerWaalsContact C-N 3.34Å; V379-A381 PolarHBondContact O-N 3.48Å; V379-L382 WeakPolarHBondContact O-CB 3.48Å; V379-L382 PolarHBondContact O-N 2.94Å; V379-E383 HydrophobicContact CG1-CG 4.49Å; V379-E383 WeakPolarHBondContact O-CG 3.42Å; V379-E383 PolarHBondContact O-N 3.45Å |
| 380 | A | 91.8 | Very high | 92.7 | Very high | 49 Ų | 49 | 69.2 Ų | 69.2 | 41% | 0.405 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -57.9 | -43.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E376 L382 E383 D384 | E376-A380 PolarHBondContact O-N 3.36Å; A380-L382 VanDerWaalsContact C-N 3.32Å; A380-L382 PolarHBondContact O-N 3.14Å; A380-E383 PolarHBondContact O-N 2.86Å; A380-D384 WeakPolarHBondContact O-CB 3.44Å; A380-D384 PolarHBondContact O-N 2.7Å |
| 381 | A | 91.9 | Very high | 92.7 | Very high | 12 Ų | 12 | 72.9 Ų | 72.9 | 10% | 0.099 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.3 | -29.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | K377 V379 R385 I719 L722 | K377-A381 VanDerWaalsContact O-CB 3.25Å; K377-A381 WeakPolarHBondContact O-CB 3.48Å; K377-A381 PolarHBondContact O-N 3.04Å; V379-A381 VanDerWaalsContact C-N 3.34Å; V379-A381 PolarHBondContact O-N 3.48Å; A381-R385 VanDerWaalsContact O-CB 3.25Å; A381-R385 WeakPolarHBondContact O-CB 3.43Å; A381-R385 PolarHBondContact O-N 2.99Å; A381-I719 HydrophobicContact CB-CD1 4.43Å; A381-I719 HydrophobicContact CB-CG1 3.84Å; A381-L722 HydrophobicContact CB-CD1 4.49Å |
| 382 | L | 93.6 | Very high | 92.7 | Very high | 44 Ų | 44 | 72.2 Ų | 72.2 | 23% | 0.23 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -69.7 | -45.8 | 173.3 | -78.8 | 165.4 | 0 | 0 | 0 | 111.4 | R378 V379 A380 R385 E386 I719 | R378-L382 HydrophobicContact CG-CD1 4.33Å; R378-L382 WeakPolarHBondContact O-CB 3.48Å; R378-L382 WeakPolarHBondContact O-CD1 3.41Å; R378-L382 WeakPolarHBondContact O-CG 3.27Å; R378-L382 PolarHBondContact O-N 3.32Å; V379-L382 WeakPolarHBondContact O-CB 3.48Å; V379-L382 PolarHBondContact O-N 2.94Å; A380-L382 VanDerWaalsContact C-N 3.32Å; A380-L382 PolarHBondContact O-N 3.14Å; L382-R385 VanDerWaalsContact CD2-NH2 3.26Å; L382-R385 PolarHBondContact O-N 3.34Å; L382-E386 WeakPolarHBondContact O-CB 3.46Å; L382-E386 PolarHBondContact O-N 3.48Å; L382-I719 HydrophobicContact CD2-CD1 3.75Å; L382-I719 HydrophobicContact CD2-CG1 4.34Å; L382-I719 HydrophobicContact CD2-CG2 4.17Å; L382-I719 HydrophobicContact CG-CD1 4.03Å; L382-I719 HydrophobicContact CG-CG1 4.24Å; L382-I719 HydrophobicContact CG-CG2 4.43Å |
| 383 | E | 94.7 | Very high | 92.8 | Very high | 124 Ų | 124 | 72.2 Ų | 72.2 | 58% | 0.579 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -60.9 | -47.8 | 176.3 | -69.4 | 174.1 | 172.7 | 0 | 0 | 111.1 | V379 A380 R385 E386 Y387 | V379-E383 HydrophobicContact CG1-CG 4.49Å; V379-E383 WeakPolarHBondContact O-CG 3.42Å; V379-E383 PolarHBondContact O-N 3.45Å; A380-E383 PolarHBondContact O-N 2.86Å; E383-R385 VanDerWaalsContact C-N 3.34Å; E383-R385 PolarHBondContact O-N 3.34Å; E383-E386 PolarHBondContact O-N 2.99Å; E383-Y387 WeakPolarHBondContact O-CB 3.45Å; E383-Y387 PolarHBondContact O-N 3.05Å |
| 384 | D | 92.8 | Very high | 92.8 | Very high | 93 Ų | 93 | 73 Ų | 73 | 50% | 0.497 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.4 | -44.3 | 174 | -93.1 | -3.8 | 0 | 0 | 0 | 111.6 | A380 E386 Y387 Q388 L715 | A380-D384 WeakPolarHBondContact O-CB 3.44Å; A380-D384 PolarHBondContact O-N 2.7Å; D384-E386 VanDerWaalsContact C-N 3.34Å; D384-E386 PolarHBondContact O-N 2.98Å; D384-Y387 PolarHBondContact O-N 2.9Å; D384-Q388 VanDerWaalsContact O-CG 3.3Å; D384-Q388 WeakPolarHBondContact O-CG 3.25Å; D384-Q388 PolarHBondContact O-N 3.47Å; D384-L715 HydrophobicContact CB-CD1 4.18Å; D384-L715 HydrophobicContact CB-CD2 4.35Å |
| 385 | R | 95.1 | Very high | 92.8 | Very high | 80 Ų | 80 | 73 Ų | 73 | 30% | 0.302 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.9 | -40.6 | 179.3 | -173.7 | -164.2 | 64.1 | -177.7 | -0.3 | 111.5 | A381 L382 E383 Q388 R389 I712 L715 T716 I719 | A381-R385 VanDerWaalsContact O-CB 3.25Å; A381-R385 WeakPolarHBondContact O-CB 3.43Å; A381-R385 PolarHBondContact O-N 2.99Å; L382-R385 VanDerWaalsContact CD2-NH2 3.26Å; L382-R385 PolarHBondContact O-N 3.34Å; E383-R385 VanDerWaalsContact C-N 3.34Å; E383-R385 PolarHBondContact O-N 3.34Å; R385-Q388 PolarHBondContact O-N 3.3Å; R385-R389 WeakPolarHBondContact O-CB 2.96Å; R385-R389 PolarHBondContact O-N 3.05Å; R385-I712 HydrophobicContact CG-CG2 4.15Å; R385-L715 HydrophobicContact CB-CB 4.06Å; R385-L715 HydrophobicContact CB-CD1 4.16Å; R385-L715 HydrophobicContact CG-CB 4.26Å; R385-T716 WeakPolarHBondContact CD-OG1 3.48Å; R385-I719 HydrophobicContact CB-CD1 4.25Å |
| 386 | E | 94.8 | Very high | 92.7 | Very high | 116 Ų | 116 | 75.6 Ų | 75.6 | 54% | 0.542 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66 | -44.5 | 177.1 | -169.3 | 155.4 | -150.9 | 0 | 0 | 110.9 | L382 E383 D384 Q388 R389 D390 | L382-E386 WeakPolarHBondContact O-CB 3.46Å; L382-E386 PolarHBondContact O-N 3.48Å; E383-E386 PolarHBondContact O-N 2.99Å; D384-E386 VanDerWaalsContact C-N 3.34Å; D384-E386 PolarHBondContact O-N 2.98Å; E386-Q388 PolarHBondContact O-N 2.57Å; E386-R389 WeakPolarHBondContact O-CB 3.27Å; E386-R389 PolarHBondContact O-N 2.98Å; E386-R389 VanDerWaalsContact O-N 3.12Å; E386-D390 PolarHBondContact O-N 2.99Å |
| 387 | Y | 94 | Very high | 92.8 | Very high | 152 Ų | 152 | 73.6 Ų | 73.6 | 60% | 0.596 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -56.9 | -46 | 172.3 | 177.2 | -94.5 | 0 | 0 | 0 | 113.1 | E383 D384 R389 D390 R391 | E383-Y387 WeakPolarHBondContact O-CB 3.45Å; E383-Y387 PolarHBondContact O-N 3.05Å; D384-Y387 PolarHBondContact O-N 2.9Å; Y387-R389 VanDerWaalsContact C-N 3.34Å; Y387-R389 PolarHBondContact O-N 3.2Å; Y387-D390 PolarHBondContact O-N 2.96Å; Y387-R391 WeakPolarHBondContact O-CB 3.42Å; Y387-R391 PolarHBondContact O-N 3.11Å |
| 388 | Q | 91.9 | Very high | 92.8 | Very high | 42 Ų | 42 | 73.7 Ų | 73.7 | 20% | 0.196 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.5 | -36.6 | 176.2 | -63.7 | -57.4 | -35.7 | 0 | 0 | 112 | D384 R385 E386 R391 L392 I712 L715 | D384-Q388 VanDerWaalsContact O-CG 3.3Å; D384-Q388 WeakPolarHBondContact O-CG 3.25Å; D384-Q388 PolarHBondContact O-N 3.47Å; R385-Q388 PolarHBondContact O-N 3.3Å; E386-Q388 PolarHBondContact O-N 2.57Å; Q388-R391 PolarHBondContact O-N 3.31Å; Q388-L392 VanDerWaalsContact O-CB 3.31Å; Q388-L392 WeakPolarHBondContact O-CB 3.34Å; Q388-L392 PolarHBondContact O-N 2.93Å; Q388-I712 HydrophobicContact CB-CD1 4.25Å; Q388-I712 HydrophobicContact CB-CG1 3.72Å; Q388-L715 HydrophobicContact CG-CD1 4.16Å |
| 389 | R | 94.1 | Very high | 92.6 | Very high | 120 Ų | 120 | 71.3 Ų | 71.3 | 45% | 0.453 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.9 | -44.8 | 177.3 | -164.6 | -161.7 | 79.6 | 81.8 | 22.7 | 111.4 | R385 E386 Y387 L392 E393 I712 | R385-R389 WeakPolarHBondContact O-CB 2.96Å; R385-R389 PolarHBondContact O-N 3.05Å; E386-R389 WeakPolarHBondContact O-CB 3.27Å; E386-R389 PolarHBondContact O-N 2.98Å; E386-R389 VanDerWaalsContact O-N 3.12Å; Y387-R389 VanDerWaalsContact C-N 3.34Å; Y387-R389 PolarHBondContact O-N 3.2Å; R389-L392 WeakPolarHBondContact O-CB 3.28Å; R389-L392 PolarHBondContact O-N 3.5Å; R389-E393 IonicContact CZ-OE2 2.8Å; R389-E393 IonicContact NH1-OE2 2.66Å; R389-E393 IonicContact NH2-OE2 3.21Å; R389-E393 PolarHBondContact NH2-OE2 3.3Å; R389-E393 VanDerWaalsContact NH2-OE2 3.07Å; R389-E393 PolarHBondContact O-N 3.46Å; R389-I712 HydrophobicContact CB-CD1 4.37Å |
| 390 | D | 94.1 | Very high | 92.5 | Very high | 78 Ų | 78 | 73.1 Ų | 73.1 | 42% | 0.417 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -70.9 | -35.3 | 178.9 | -69.8 | -1.9 | 0 | 0 | 0 | 111.3 | E386 Y387 E393 F394 | E386-D390 PolarHBondContact O-N 2.99Å; Y387-D390 PolarHBondContact O-N 2.96Å; D390-E393 PolarHBondContact O-N 3.07Å; D390-F394 WeakPolarHBondContact O-CB 3.36Å; D390-F394 PolarHBondContact O-N 3.39Å |
| 391 | R | 91.1 | Very high | 92.5 | Very high | 77 Ų | 77 | 76.2 Ų | 76.2 | 29% | 0.291 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.5 | -40.9 | 170.8 | -177.9 | 61.4 | -176.3 | 178.5 | 5.2 | 111.9 | Y387 Q388 F394 V395 P494 L708 | Y387-R391 WeakPolarHBondContact O-CB 3.42Å; Y387-R391 PolarHBondContact O-N 3.11Å; Q388-R391 PolarHBondContact O-N 3.31Å; R391-F394 PolarHBondContact O-N 3.49Å; R391-V395 WeakPolarHBondContact O-CG2 3.16Å; R391-V395 PolarHBondContact O-N 3.24Å; R391-P494 PolarHBondContact NH2-O 3.33Å; R391-L708 HydrophobicContact CG-CD1 4.35Å; R391-L708 HydrophobicContact CG-CD2 4.4Å |
| 392 | L | 92.7 | Very high | 92.4 | Very high | 11 Ų | 11 | 76.5 Ų | 76.5 | 6% | 0.058 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 175 | 174.3 | 64.4 | 0 | 0 | 0 | 111.6 | Q388 R389 V395 R396 E705 L708 E709 I712 | Q388-L392 VanDerWaalsContact O-CB 3.31Å; Q388-L392 WeakPolarHBondContact O-CB 3.34Å; Q388-L392 PolarHBondContact O-N 2.93Å; R389-L392 WeakPolarHBondContact O-CB 3.28Å; R389-L392 PolarHBondContact O-N 3.5Å; L392-V395 PolarHBondContact O-N 2.93Å; L392-R396 WeakPolarHBondContact O-CG 3.49Å; L392-R396 PolarHBondContact O-N 3.37Å; L392-E705 HydrophobicContact CD1-CB 4.41Å; L392-E705 HydrophobicContact CD1-CG 3.39Å; L392-L708 HydrophobicContact CB-CB 4.42Å; L392-L708 HydrophobicContact CB-CD1 4.35Å; L392-L708 HydrophobicContact CD1-CB 4.18Å; L392-L708 HydrophobicContact CD1-CD1 4.36Å; L392-E709 HydrophobicContact CD1-CG 4.45Å; L392-E709 HydrophobicContact CD2-CG 3.88Å; L392-I712 HydrophobicContact CB-CD1 4.29Å; L392-I712 HydrophobicContact CD2-CD1 3.66Å |
| 393 | E | 93.3 | Very high | 92.2 | Very high | 90 Ų | 90 | 75.5 Ų | 75.5 | 42% | 0.421 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.9 | -42 | 176.5 | -172.1 | 169.2 | 168.9 | 0 | 0 | 111.6 | R389 D390 N397 | R389-E393 IonicContact CZ-OE2 2.8Å; R389-E393 IonicContact NH1-OE2 2.66Å; R389-E393 IonicContact NH2-OE2 3.21Å; R389-E393 PolarHBondContact NH2-OE2 3.3Å; R389-E393 VanDerWaalsContact NH2-OE2 3.07Å; R389-E393 PolarHBondContact O-N 3.46Å; D390-E393 PolarHBondContact O-N 3.07Å; E393-N397 WeakPolarHBondContact O-CB 3.47Å; E393-N397 VanDerWaalsContact O-CG 3.3Å; E393-N397 PolarHBondContact O-N 2.91Å; E393-N397 PolarHBondContact O-ND2 3.11Å |
| 394 | F | 92.1 | Very high | 92.1 | Very high | 94 Ų | 94 | 73.9 Ų | 73.9 | 41% | 0.412 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.4 | -49.5 | 172.9 | 175.9 | -93.1 | 0 | 0 | 0 | 112.4 | D390 R391 R396 N397 Q398 L495 | D390-F394 WeakPolarHBondContact O-CB 3.36Å; D390-F394 PolarHBondContact O-N 3.39Å; R391-F394 PolarHBondContact O-N 3.49Å; F394-R396 PolarHBondContact O-N 3.12Å; F394-N397 PolarHBondContact O-N 2.97Å; F394-Q398 HydrophobicContact CD1-CG 4.25Å; F394-Q398 HydrophobicContact CD2-CG 4.28Å; F394-Q398 HydrophobicContact CE1-CG 3.83Å; F394-Q398 HydrophobicContact CE2-CG 3.87Å; F394-Q398 HydrophobicContact CG-CG 4.46Å; F394-Q398 HydrophobicContact CZ-CG 3.62Å; F394-Q398 WeakPolarHBondContact O-CB 3.36Å; F394-Q398 WeakPolarHBondContact O-CG 3.3Å; F394-Q398 PolarHBondContact O-N 3.08Å; F394-L495 HydrophobicContact CE1-CD2 4.17Å |
| 395 | V | 90.3 | Very high | 92 | Very high | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.4 | -45.3 | -179.6 | 168.3 | 0 | 0 | 0 | 0 | 111.1 | R391 L392 Q398 L399 L495 V701 | R391-V395 WeakPolarHBondContact O-CG2 3.16Å; R391-V395 PolarHBondContact O-N 3.24Å; L392-V395 PolarHBondContact O-N 2.93Å; V395-Q398 PolarHBondContact O-N 2.94Å; V395-L399 VanDerWaalsContact O-CB 3.3Å; V395-L399 WeakPolarHBondContact O-CB 3.11Å; V395-L399 PolarHBondContact O-N 2.94Å; V395-L495 HydrophobicContact CG1-CB 4.49Å; V395-V701 HydrophobicContact CG1-CG1 3.65Å |
| 396 | R | 91.4 | Very high | 91.7 | Very high | 84 Ų | 84 | 70 Ų | 70 | 32% | 0.317 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.8 | -47.8 | 175.6 | -77.8 | 174.6 | 165.3 | 157.2 | 1.4 | 112.4 | L392 F394 L399 N400 E705 E709 | L392-R396 WeakPolarHBondContact O-CG 3.49Å; L392-R396 PolarHBondContact O-N 3.37Å; F394-R396 PolarHBondContact O-N 3.12Å; R396-L399 PolarHBondContact O-N 2.8Å; R396-N400 PolarHBondContact O-N 3.47Å; R396-N400 PolarHBondContact O-ND2 3.49Å; R396-E705 HydrophobicContact CG-CG 4.44Å; R396-E705 WeakPolarHBondContact CG-OE2 3.42Å; R396-E705 IonicContact CZ-OE1 2.64Å; R396-E705 VanDerWaalsContact NE-CD 3.29Å; R396-E705 IonicContact NE-OE1 2.84Å; R396-E705 PolarHBondContact NE-OE1 2.85Å; R396-E705 IonicContact NE-OE2 2.74Å; R396-E705 IonicContact NH2-OE1 3.97Å; R396-E705 PolarHBondContact NH2-OE1 2.96Å; R396-E709 IonicContact CZ-OE1 3.61Å; R396-E709 IonicContact NH1-OE1 2.67Å; R396-E709 IonicContact NH2-OE1 3.39Å; R396-E709 PolarHBondContact NH2-OE1 2.98Å |
| 397 | N | 92.2 | Very high | 91.5 | Very high | 84 Ų | 84 | 69.6 Ų | 69.6 | 45% | 0.449 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65 | -41.8 | -179.5 | -75.1 | -28.8 | 0 | 0 | 0 | 112 | E393 F394 L401 | E393-N397 WeakPolarHBondContact O-CB 3.47Å; E393-N397 VanDerWaalsContact O-CG 3.3Å; E393-N397 PolarHBondContact O-N 2.91Å; E393-N397 PolarHBondContact O-ND2 3.11Å; F394-N397 PolarHBondContact O-N 2.97Å; N397-L401 WeakPolarHBondContact O-CG 3.49Å; N397-L401 PolarHBondContact O-N 2.95Å |
| 398 | Q | 89.9 | Confident | 91.4 | Very high | 67 Ų | 67 | 69.4 Ų | 69.4 | 31% | 0.313 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67.4 | -41.9 | 175.3 | -68.5 | -61.4 | -57.6 | 0 | 0 | 112.5 | F394 V395 N400 L401 L402 L495 | F394-Q398 HydrophobicContact CD1-CG 4.25Å; F394-Q398 HydrophobicContact CD2-CG 4.28Å; F394-Q398 HydrophobicContact CE1-CG 3.83Å; F394-Q398 HydrophobicContact CE2-CG 3.87Å; F394-Q398 HydrophobicContact CG-CG 4.46Å; F394-Q398 HydrophobicContact CZ-CG 3.62Å; F394-Q398 WeakPolarHBondContact O-CB 3.36Å; F394-Q398 WeakPolarHBondContact O-CG 3.3Å; F394-Q398 PolarHBondContact O-N 3.08Å; V395-Q398 PolarHBondContact O-N 2.94Å; Q398-N400 VanDerWaalsContact C-N 3.31Å; Q398-N400 PolarHBondContact O-N 2.91Å; Q398-L401 PolarHBondContact O-N 3.44Å; Q398-L402 WeakPolarHBondContact O-CB 3.01Å; Q398-L402 WeakPolarHBondContact O-CG 3.4Å; Q398-L402 PolarHBondContact O-N 3.01Å; Q398-L495 HydrophobicContact CB-CD1 3.97Å; Q398-L495 HydrophobicContact CB-CD2 3.5Å; Q398-L495 HydrophobicContact CB-CG 4.39Å; Q398-L495 HydrophobicContact CG-CD2 3.99Å |
| 399 | L | 89.8 | Confident | 91.3 | Very high | 15 Ų | 15 | 70.5 Ų | 70.5 | 8% | 0.079 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.7 | -42 | 177.3 | -178.5 | 63.3 | 0 | 0 | 0 | 111.4 | V395 R396 T403 M492 L495 V701 | V395-L399 VanDerWaalsContact O-CB 3.3Å; V395-L399 WeakPolarHBondContact O-CB 3.11Å; V395-L399 PolarHBondContact O-N 2.94Å; R396-L399 PolarHBondContact O-N 2.8Å; L399-T403 VanDerWaalsContact O-CB 3.24Å; L399-T403 WeakPolarHBondContact O-CB 3.46Å; L399-T403 PolarHBondContact O-N 2.96Å; L399-T403 PolarHBondContact O-OG1 3.22Å; L399-M492 HydrophobicContact CD1-CE 3.79Å; L399-L495 HydrophobicContact CB-CD1 4.36Å; L399-V701 HydrophobicContact CD1-CB 4.3Å; L399-V701 HydrophobicContact CD1-CG1 4.2Å; L399-V701 HydrophobicContact CD1-CG2 4.5Å; L399-V701 HydrophobicContact CD2-CB 4.38Å; L399-V701 HydrophobicContact CD2-CG1 3.91Å; L399-V701 HydrophobicContact CG-CG1 4.43Å |
| 400 | N | 91.1 | Very high | 91.1 | Very high | 104 Ų | 104 | 65.4 Ų | 65.4 | 56% | 0.556 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -62.2 | -44.8 | 175.9 | -75.6 | -33.4 | 0 | 0 | 0 | 112.4 | R396 Q398 T403 E404 | R396-N400 PolarHBondContact O-N 3.47Å; R396-N400 PolarHBondContact O-ND2 3.49Å; Q398-N400 VanDerWaalsContact C-N 3.31Å; Q398-N400 PolarHBondContact O-N 2.91Å; N400-T403 PolarHBondContact O-N 3.3Å; N400-E404 PolarHBondContact O-N 3.13Å |
| 401 | L | 91.4 | Very high | 91 | Very high | 113 Ų | 113 | 68 Ų | 68 | 59% | 0.592 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -64.4 | -48.6 | 177.8 | -69.4 | 171.4 | 0 | 0 | 0 | 111.8 | N397 Q398 T403 E404 E405 | N397-L401 WeakPolarHBondContact O-CG 3.49Å; N397-L401 PolarHBondContact O-N 2.95Å; Q398-L401 PolarHBondContact O-N 3.44Å; L401-T403 VanDerWaalsContact C-N 3.29Å; L401-T403 PolarHBondContact O-N 2.96Å; L401-E404 PolarHBondContact O-N 3.37Å; L401-E405 PolarHBondContact O-N 2.88Å; L401-E405 VanDerWaalsContact O-N 3.1Å |
| 402 | L | 89.9 | Confident | 91 | Very high | 18 Ų | 18 | 67 Ų | 67 | 9% | 0.094 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.4 | -35.7 | 177.3 | -71 | 178.7 | 0 | 0 | 0 | 112.1 | Q398 E404 E405 I406 S491 M492 L495 | Q398-L402 WeakPolarHBondContact O-CB 3.01Å; Q398-L402 WeakPolarHBondContact O-CG 3.4Å; Q398-L402 PolarHBondContact O-N 3.01Å; L402-E404 VanDerWaalsContact C-N 3.34Å; L402-E404 PolarHBondContact O-N 3.29Å; L402-E405 PolarHBondContact O-N 3.35Å; L402-I406 HydrophobicContact CB-CD1 4.43Å; L402-I406 VanDerWaalsContact O-CB 3.27Å; L402-I406 WeakPolarHBondContact O-CB 3.46Å; L402-I406 VanDerWaalsContact O-CG1 3.23Å; L402-I406 WeakPolarHBondContact O-CG1 3.28Å; L402-I406 PolarHBondContact O-N 3.26Å; L402-S491 VanDerWaalsContact CD1-O 3.28Å; L402-S491 WeakPolarHBondContact CD1-O 3.37Å; L402-M492 HydrophobicContact CD1-CG 4.24Å; L402-L495 HydrophobicContact CD1-CD1 3.84Å |
| 403 | T | 89.9 | Confident | 90.9 | Very high | 23 Ų | 23 | 67 Ų | 67 | 14% | 0.141 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.7 | -44.4 | 176.8 | -65.9 | 0 | 0 | 0 | 0 | 111.5 | L399 N400 L401 K407 F694 | L399-T403 VanDerWaalsContact O-CB 3.24Å; L399-T403 WeakPolarHBondContact O-CB 3.46Å; L399-T403 PolarHBondContact O-N 2.96Å; L399-T403 PolarHBondContact O-OG1 3.22Å; N400-T403 PolarHBondContact O-N 3.3Å; L401-T403 VanDerWaalsContact C-N 3.29Å; L401-T403 PolarHBondContact O-N 2.96Å; T403-K407 HydrophobicContact CG2-CD 4.18Å; T403-K407 WeakPolarHBondContact O-CB 3.33Å; T403-K407 WeakPolarHBondContact O-CD 3.42Å; T403-K407 WeakPolarHBondContact O-CG 3.44Å; T403-K407 PolarHBondContact O-N 3.18Å; T403-F694 HydrophobicContact CG2-CE1 4.18Å; T403-F694 HydrophobicContact CG2-CZ 3.94Å |
| 404 | E | 91.4 | Very high | 90.7 | Very high | 90 Ų | 90 | 62.9 Ų | 62.9 | 42% | 0.421 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -73.4 | -33 | 178.2 | -68.2 | -54.6 | 122.7 | 0 | 0 | 113.2 | N400 L401 L402 K407 K408 | N400-E404 PolarHBondContact O-N 3.13Å; L401-E404 PolarHBondContact O-N 3.37Å; L402-E404 VanDerWaalsContact C-N 3.34Å; L402-E404 PolarHBondContact O-N 3.29Å; E404-K407 WeakPolarHBondContact OE1-CD 3.4Å; E404-K407 IonicContact OE1-NZ 2.81Å; E404-K407 PolarHBondContact OE1-NZ 3.34Å; E404-K408 WeakPolarHBondContact O-CD 3.04Å; E404-K408 VanDerWaalsContact O-CG 3.27Å; E404-K408 WeakPolarHBondContact O-CG 3.46Å; E404-K408 PolarHBondContact O-N 2.94Å |
| 405 | E | 91.1 | Very high | 90.6 | Very high | 93 Ų | 93 | 62.4 Ų | 62.4 | 44% | 0.435 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.8 | -46.6 | 172.5 | -176 | 167.3 | -152.1 | 0 | 0 | 111.8 | L401 L402 K408 K409 Y487 | L401-E405 PolarHBondContact O-N 2.88Å; L401-E405 VanDerWaalsContact O-N 3.1Å; L402-E405 PolarHBondContact O-N 3.35Å; E405-K408 PolarHBondContact O-N 3.11Å; E405-K409 PolarHBondContact O-N 2.98Å; E405-Y487 PolarHBondContact OE1-OH 3.47Å; E405-Y487 PolarHBondContact OE2-OH 2.95Å |
| 406 | I | 89.6 | Confident | 90.6 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.8 | -41.9 | 180 | -70.2 | 168.5 | 0 | 0 | 0 | 110.9 | L402 K408 K409 I410 M488 M492 F694 | L402-I406 HydrophobicContact CB-CD1 4.43Å; L402-I406 VanDerWaalsContact O-CB 3.27Å; L402-I406 WeakPolarHBondContact O-CB 3.46Å; L402-I406 VanDerWaalsContact O-CG1 3.23Å; L402-I406 WeakPolarHBondContact O-CG1 3.28Å; L402-I406 PolarHBondContact O-N 3.26Å; I406-K408 VanDerWaalsContact C-N 3.34Å; I406-K408 PolarHBondContact O-N 3.4Å; I406-K409 PolarHBondContact O-N 3.46Å; I406-K409 VanDerWaalsContact O-N 3.15Å; I406-I410 HydrophobicContact CG2-CD1 3.81Å; I406-I410 HydrophobicContact CG2-CG1 4.23Å; I406-I410 VanDerWaalsContact O-CG1 3.31Å; I406-I410 WeakPolarHBondContact O-CG1 3.49Å; I406-I410 PolarHBondContact O-N 3.07Å; I406-M488 HydrophobicContact CD1-CB 4.4Å; I406-M488 HydrophobicContact CD1-CG 4.07Å; I406-M488 HydrophobicContact CG1-CG 4.06Å; I406-M488 HydrophobicContact CG2-CE 3.92Å; I406-M488 HydrophobicContact CG2-CG 3.98Å; I406-M488 HydrophobicContact CG2-SD 3.88Å; I406-M492 HydrophobicContact CD1-SD 4.24Å; I406-F694 HydrophobicContact CB-CD2 4.23Å; I406-F694 HydrophobicContact CB-CE2 4.12Å; I406-F694 HydrophobicContact CD1-CD2 3.8Å; I406-F694 HydrophobicContact CD1-CE2 3.61Å; I406-F694 HydrophobicContact CG1-CE2 4.46Å; I406-F694 HydrophobicContact CG2-CB 4.27Å; I406-F694 HydrophobicContact CG2-CD1 4.32Å; I406-F694 HydrophobicContact CG2-CD2 3.56Å; I406-F694 HydrophobicContact CG2-CE2 3.94Å; I406-F694 HydrophobicContact CG2-CG 3.77Å; I406-F694 HydrophobicContact CG2-CZ 4.47Å |
| 407 | K | 91.1 | Very high | 90.5 | Very high | 107 Ų | 107 | 60.9 Ų | 60.9 | 47% | 0.465 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -55.1 | -46.6 | 172.1 | -78.6 | 167.6 | -177.7 | 173.2 | 0 | 112.4 | T403 E404 K409 I410 K411 | T403-K407 HydrophobicContact CG2-CD 4.18Å; T403-K407 WeakPolarHBondContact O-CB 3.33Å; T403-K407 WeakPolarHBondContact O-CD 3.42Å; T403-K407 WeakPolarHBondContact O-CG 3.44Å; T403-K407 PolarHBondContact O-N 3.18Å; E404-K407 WeakPolarHBondContact OE1-CD 3.4Å; E404-K407 IonicContact OE1-NZ 2.81Å; E404-K407 PolarHBondContact OE1-NZ 3.34Å; K407-K409 VanDerWaalsContact C-N 3.33Å; K407-K409 PolarHBondContact O-N 3.09Å; K407-I410 PolarHBondContact O-N 3.46Å; K407-K411 PolarHBondContact O-N 2.99Å; K407-K411 VanDerWaalsContact O-N 3.08Å |
| 408 | K | 91.9 | Very high | 90.3 | Very high | 148 Ų | 148 | 60.2 Ų | 60.2 | 64% | 0.643 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -62.4 | -40.9 | 176.9 | -71.2 | 166.1 | -172.8 | 169.4 | 0 | 111.5 | E404 E405 I406 K411 A412 | E404-K408 WeakPolarHBondContact O-CD 3.04Å; E404-K408 VanDerWaalsContact O-CG 3.27Å; E404-K408 WeakPolarHBondContact O-CG 3.46Å; E404-K408 PolarHBondContact O-N 2.94Å; E405-K408 PolarHBondContact O-N 3.11Å; I406-K408 VanDerWaalsContact C-N 3.34Å; I406-K408 PolarHBondContact O-N 3.4Å; K408-K411 PolarHBondContact O-N 3.19Å; K408-A412 PolarHBondContact O-N 3.31Å |
| 409 | K | 89.4 | Confident | 90.3 | Very high | 64 Ų | 64 | 60 Ų | 60 | 28% | 0.278 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.2 | -42.4 | 179.6 | -165 | 161.7 | -175.3 | 166 | 0 | 112.5 | E405 I406 K407 K411 A412 I413 Y487 | E405-K409 PolarHBondContact O-N 2.98Å; I406-K409 PolarHBondContact O-N 3.46Å; I406-K409 VanDerWaalsContact O-N 3.15Å; K407-K409 VanDerWaalsContact C-N 3.33Å; K407-K409 PolarHBondContact O-N 3.09Å; K409-K411 VanDerWaalsContact C-N 3.33Å; K409-K411 PolarHBondContact O-N 2.73Å; K409-A412 PolarHBondContact O-N 3.01Å; K409-I413 HydrophobicContact CG-CD1 4.1Å; K409-I413 VanDerWaalsContact O-CD1 3.28Å; K409-I413 WeakPolarHBondContact O-CD1 3.37Å; K409-I413 VanDerWaalsContact O-CG1 3.25Å; K409-I413 WeakPolarHBondContact O-CG1 3.39Å; K409-I413 PolarHBondContact O-N 3.04Å; K409-Y487 HydrophobicContact CD-CD1 3.67Å; K409-Y487 HydrophobicContact CD-CE1 3.64Å; K409-Y487 HydrophobicContact CD-CG 4.46Å; K409-Y487 VanDerWaalsContact NZ-CD2 3.28Å |
| 410 | I | 90.4 | Very high | 90.2 | Very high | 13 Ų | 13 | 63.1 Ų | 63.1 | 7% | 0.067 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.1 | -48.1 | 172.4 | -69.3 | 172 | 0 | 0 | 0 | 110.1 | I406 K407 A412 I413 S414 M488 Q687 M690 F694 | I406-I410 HydrophobicContact CG2-CD1 3.81Å; I406-I410 HydrophobicContact CG2-CG1 4.23Å; I406-I410 VanDerWaalsContact O-CG1 3.31Å; I406-I410 WeakPolarHBondContact O-CG1 3.49Å; I406-I410 PolarHBondContact O-N 3.07Å; K407-I410 PolarHBondContact O-N 3.46Å; I410-A412 PolarHBondContact O-N 3.45Å; I410-I413 PolarHBondContact O-N 2.87Å; I410-S414 PolarHBondContact O-N 2.96Å; I410-M488 HydrophobicContact CD1-CE 4.17Å; I410-M488 HydrophobicContact CG1-CE 3.66Å; I410-Q687 HydrophobicContact CG2-CG 3.93Å; I410-M690 HydrophobicContact CD1-CB 4.17Å; I410-M690 HydrophobicContact CG1-CB 3.91Å; I410-M690 HydrophobicContact CG2-CB 4.29Å; I410-F694 HydrophobicContact CD1-CB 4.41Å |
| 411 | K | 91.4 | Very high | 90.2 | Very high | 132 Ų | 132 | 58.2 Ų | 58.2 | 57% | 0.574 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -59.1 | -48.7 | 177 | -175.3 | 176.8 | 178 | 179.5 | 0 | 112.2 | K407 K408 K409 I413 S414 D415 | K407-K411 PolarHBondContact O-N 2.99Å; K407-K411 VanDerWaalsContact O-N 3.08Å; K408-K411 PolarHBondContact O-N 3.19Å; K409-K411 VanDerWaalsContact C-N 3.33Å; K409-K411 PolarHBondContact O-N 2.73Å; K411-I413 VanDerWaalsContact C-N 3.26Å; K411-I413 PolarHBondContact O-N 2.58Å; K411-S414 WeakPolarHBondContact O-CA 3.28Å; K411-S414 VanDerWaalsContact O-CB 3.22Å; K411-S414 WeakPolarHBondContact O-CB 3.4Å; K411-S414 PolarHBondContact O-N 2.84Å; K411-D415 VanDerWaalsContact O-CG 3.26Å; K411-D415 PolarHBondContact O-N 3.07Å |
| 412 | A | 90.5 | Very high | 90.1 | Very high | 57 Ų | 57 | 55 Ų | 55 | 47% | 0.471 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60 | -34.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | K408 K409 I410 D416 | K408-A412 PolarHBondContact O-N 3.31Å; K409-A412 PolarHBondContact O-N 3.01Å; I410-A412 PolarHBondContact O-N 3.45Å; A412-D416 WeakPolarHBondContact O-CB 3.24Å; A412-D416 PolarHBondContact O-N 3.15Å; A412-D416 VanDerWaalsContact O-N 3.09Å |
| 413 | I | 90 | Very high | 90 | Very high | 11 Ų | 11 | 59 Ų | 59 | 6% | 0.056 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -73 | -39.1 | 175.1 | -62.7 | 156.2 | 0 | 0 | 0 | 110.7 | K409 I410 K411 D416 V417 S484 V686 M690 | K409-I413 HydrophobicContact CG-CD1 4.1Å; K409-I413 VanDerWaalsContact O-CD1 3.28Å; K409-I413 WeakPolarHBondContact O-CD1 3.37Å; K409-I413 VanDerWaalsContact O-CG1 3.25Å; K409-I413 WeakPolarHBondContact O-CG1 3.39Å; K409-I413 PolarHBondContact O-N 3.04Å; I410-I413 PolarHBondContact O-N 2.87Å; K411-I413 VanDerWaalsContact C-N 3.26Å; K411-I413 PolarHBondContact O-N 2.58Å; I413-D416 PolarHBondContact O-N 3.2Å; I413-V417 HydrophobicContact CG2-CG2 4.25Å; I413-V417 WeakPolarHBondContact O-CB 3.31Å; I413-V417 WeakPolarHBondContact O-CG2 3.49Å; I413-V417 PolarHBondContact O-N 3.14Å; I413-S484 WeakPolarHBondContact CD1-OG 3.32Å; I413-V686 HydrophobicContact CG2-CG1 3.9Å; I413-M690 HydrophobicContact CB-SD 4.28Å; I413-M690 HydrophobicContact CD1-CE 3.87Å; I413-M690 HydrophobicContact CD1-SD 3.57Å; I413-M690 VanDerWaalsContact CD1-SD 3.57Å; I413-M690 HydrophobicContact CG2-SD 4.03Å |
| 414 | S | 89.6 | Confident | 89.9 | Confident | 4 Ų | 4 | 58.4 Ų | 58.4 | 3% | 0.028 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55.9 | -51.7 | 172.6 | -130.8 | 0 | 0 | 0 | 0 | 111.2 | I410 K411 D416 V417 E418 S683 | I410-S414 PolarHBondContact O-N 2.96Å; K411-S414 WeakPolarHBondContact O-CA 3.28Å; K411-S414 VanDerWaalsContact O-CB 3.22Å; K411-S414 WeakPolarHBondContact O-CB 3.4Å; K411-S414 PolarHBondContact O-N 2.84Å; S414-D416 VanDerWaalsContact C-N 3.34Å; S414-D416 PolarHBondContact O-N 2.73Å; S414-V417 PolarHBondContact O-N 2.7Å; S414-E418 PolarHBondContact O-N 3.46Å; S414-S683 WeakPolarHBondContact CB-OG 3.21Å; S414-S683 PolarHBondContact O-OG 3.04Å; S414-S683 PolarHBondContact OG-O 2.81Å; S414-S683 PolarHBondContact OG-OG 2.86Å |
| 415 | D | 90.7 | Very high | 89.7 | Confident | 83 Ų | 83 | 54.1 Ų | 54.1 | 44% | 0.444 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.7 | -39.2 | -179.6 | -59.5 | -17.1 | 0 | 0 | 0 | 111.3 | K411 S419 | K411-D415 VanDerWaalsContact O-CG 3.26Å; K411-D415 PolarHBondContact O-N 3.07Å; D415-S419 WeakPolarHBondContact O-CB 3.41Å; D415-S419 PolarHBondContact O-N 3.21Å; D415-S419 VanDerWaalsContact O-N 3.1Å |
| 416 | D | 89.1 | Confident | 89.5 | Confident | 53 Ų | 53 | 50.8 Ų | 50.8 | 28% | 0.283 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.6 | -41.1 | 175 | 173 | 66.1 | 0 | 0 | 0 | 113 | A412 I413 S414 K420 | A412-D416 WeakPolarHBondContact O-CB 3.24Å; A412-D416 PolarHBondContact O-N 3.15Å; A412-D416 VanDerWaalsContact O-N 3.09Å; I413-D416 PolarHBondContact O-N 3.2Å; S414-D416 VanDerWaalsContact C-N 3.34Å; S414-D416 PolarHBondContact O-N 2.73Å; D416-K420 WeakPolarHBondContact O-CB 3.27Å; D416-K420 VanDerWaalsContact O-CG 3.32Å; D416-K420 WeakPolarHBondContact O-CG 3.41Å; D416-K420 PolarHBondContact O-N 2.96Å; D416-K420 WeakPolarHBondContact OD1-CE 3.14Å; D416-K420 IonicContact OD1-NZ 3.27Å; D416-K420 PolarHBondContact OD1-NZ 3.47Å; D416-K420 IonicContact OD2-NZ 3.47Å; D416-K420 PolarHBondContact OD2-NZ 3.12Å |
| 417 | V | 89.5 | Confident | 89.4 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66 | -44.8 | 176 | 167.8 | 0 | 0 | 0 | 0 | 110.8 | I413 S414 S419 K420 V421 I477 C682 V686 | I413-V417 HydrophobicContact CG2-CG2 4.25Å; I413-V417 WeakPolarHBondContact O-CB 3.31Å; I413-V417 WeakPolarHBondContact O-CG2 3.49Å; I413-V417 PolarHBondContact O-N 3.14Å; S414-V417 PolarHBondContact O-N 2.7Å; V417-S419 VanDerWaalsContact C-N 3.35Å; V417-S419 PolarHBondContact O-N 3.44Å; V417-K420 PolarHBondContact O-N 3.4Å; V417-V421 HydrophobicContact CG1-CG2 4.29Å; V417-V421 WeakPolarHBondContact O-CB 3.43Å; V417-V421 WeakPolarHBondContact O-CG2 3.26Å; V417-V421 PolarHBondContact O-N 3.23Å; V417-I477 HydrophobicContact CG1-CD1 4.12Å; V417-I477 HydrophobicContact CG2-CG1 4.25Å; V417-I477 HydrophobicContact CG2-CG2 4.08Å; V417-C682 HydrophobicContact CG1-CB 4.41Å; V417-V686 HydrophobicContact CG1-CG2 4.1Å; V417-V686 HydrophobicContact CG2-CG1 4.36Å; V417-V686 HydrophobicContact CG2-CG2 4.1Å |
| 418 | E | 89.3 | Confident | 89.2 | Confident | 70 Ų | 70 | 49.5 Ų | 49.5 | 33% | 0.327 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.6 | -48.1 | 177.4 | -167.4 | 174.9 | 161.2 | 0 | 0 | 111 | S414 V421 S422 S679 | S414-E418 PolarHBondContact O-N 3.46Å; E418-V421 PolarHBondContact O-N 3.32Å; E418-S422 WeakPolarHBondContact O-CB 3.46Å; E418-S422 PolarHBondContact O-N 2.94Å; E418-S679 WeakPolarHBondContact CG-OG 3.28Å; E418-S679 WeakPolarHBondContact O-CB 3.39Å |
| 419 | S | 89.9 | Confident | 88.9 | Confident | 63 Ų | 63 | 42.6 Ų | 42.6 | 44% | 0.441 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -58.7 | -49.2 | 176.1 | -176.4 | 0 | 0 | 0 | 0 | 112.3 | D415 V417 S422 I423 | D415-S419 WeakPolarHBondContact O-CB 3.41Å; D415-S419 PolarHBondContact O-N 3.21Å; D415-S419 VanDerWaalsContact O-N 3.1Å; V417-S419 VanDerWaalsContact C-N 3.35Å; V417-S419 PolarHBondContact O-N 3.44Å; S419-S422 PolarHBondContact O-N 2.88Å; S419-I423 VanDerWaalsContact O-CG1 3.29Å; S419-I423 WeakPolarHBondContact O-CG1 3.31Å; S419-I423 PolarHBondContact O-N 3.31Å |
| 420 | K | 88 | Confident | 88.7 | Confident | 80 Ų | 80 | 45.3 Ų | 45.3 | 35% | 0.348 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -63.9 | -42.7 | -179.5 | -77.9 | 168.2 | 176.2 | 160.7 | 0 | 113.2 | D416 V417 A424 | D416-K420 WeakPolarHBondContact O-CB 3.27Å; D416-K420 VanDerWaalsContact O-CG 3.32Å; D416-K420 WeakPolarHBondContact O-CG 3.41Å; D416-K420 PolarHBondContact O-N 2.96Å; D416-K420 WeakPolarHBondContact OD1-CE 3.14Å; D416-K420 IonicContact OD1-NZ 3.27Å; D416-K420 PolarHBondContact OD1-NZ 3.47Å; D416-K420 IonicContact OD2-NZ 3.47Å; D416-K420 PolarHBondContact OD2-NZ 3.12Å; V417-K420 PolarHBondContact O-N 3.4Å; K420-A424 VanDerWaalsContact O-CB 3.31Å; K420-A424 WeakPolarHBondContact O-CB 3.4Å; K420-A424 PolarHBondContact O-N 2.68Å |
| 421 | V | 89.3 | Confident | 88.4 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.3 | -40.8 | 177.3 | 173.9 | 0 | 0 | 0 | 0 | 110.4 | V417 E418 A424 M425 L469 I477 L515 Y517 C682 | V417-V421 HydrophobicContact CG1-CG2 4.29Å; V417-V421 WeakPolarHBondContact O-CB 3.43Å; V417-V421 WeakPolarHBondContact O-CG2 3.26Å; V417-V421 PolarHBondContact O-N 3.23Å; E418-V421 PolarHBondContact O-N 3.32Å; V421-A424 PolarHBondContact O-N 2.65Å; V421-M425 WeakPolarHBondContact O-CB 3.34Å; V421-M425 PolarHBondContact O-N 3.49Å; V421-L469 HydrophobicContact CG1-CD2 4.48Å; V421-I477 HydrophobicContact CG2-CD1 3.89Å; V421-L515 HydrophobicContact CG2-CD2 4.46Å; V421-Y517 HydrophobicContact CG2-CE1 4.44Å; V421-C682 HydrophobicContact CG1-CB 4.36Å; V421-C682 HydrophobicContact CG2-CB 4.04Å |
| 422 | S | 89.8 | Confident | 88.2 | Confident | 47 Ų | 47 | 44.1 Ų | 44.1 | 33% | 0.329 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.6 | -48 | 176.7 | -178.5 | 0 | 0 | 0 | 0 | 112.2 | E418 S419 M425 G426 V675 | E418-S422 WeakPolarHBondContact O-CB 3.46Å; E418-S422 PolarHBondContact O-N 2.94Å; S419-S422 PolarHBondContact O-N 2.88Å; S422-M425 PolarHBondContact O-N 2.87Å; S422-G426 PolarHBondContact O-N 3.12Å; S422-V675 WeakPolarHBondContact OG-CG1 3.41Å |
| 423 | I | 88.7 | Confident | 87.9 | Confident | 100 Ų | 100 | 45.1 Ų | 45.1 | 51% | 0.513 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.1 | -48.9 | 176.6 | -67 | 164.3 | 0 | 0 | 0 | 111 | S419 M425 G426 E427 | S419-I423 VanDerWaalsContact O-CG1 3.29Å; S419-I423 WeakPolarHBondContact O-CG1 3.31Å; S419-I423 PolarHBondContact O-N 3.31Å; I423-M425 PolarHBondContact O-N 3.26Å; I423-G426 PolarHBondContact O-N 2.97Å; I423-E427 PolarHBondContact O-N 3.4Å |
| 424 | A | 87.7 | Confident | 87.7 | Confident | 11 Ų | 11 | 48.2 Ų | 48.2 | 9% | 0.091 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.3 | -41.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K420 V421 E427 E428 L469 C473 | K420-A424 VanDerWaalsContact O-CB 3.31Å; K420-A424 WeakPolarHBondContact O-CB 3.4Å; K420-A424 PolarHBondContact O-N 2.68Å; V421-A424 PolarHBondContact O-N 2.65Å; A424-E427 PolarHBondContact O-N 2.82Å; A424-E428 WeakPolarHBondContact O-CG 3.33Å; A424-E428 PolarHBondContact O-N 2.9Å; A424-L469 HydrophobicContact CB-CD2 4.22Å; A424-C473 WeakPolarHBondContact CB-SG 3.4Å |
| 425 | M | 87 | Confident | 87.4 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.3 | -39.8 | 176.4 | -168.7 | 169.3 | 167.1 | 0 | 0 | 111.3 | V421 S422 I423 E427 E428 I429 L469 L519 V675 T678 | V421-M425 WeakPolarHBondContact O-CB 3.34Å; V421-M425 PolarHBondContact O-N 3.49Å; S422-M425 PolarHBondContact O-N 2.87Å; I423-M425 PolarHBondContact O-N 3.26Å; M425-E427 PolarHBondContact O-N 3.48Å; M425-E428 PolarHBondContact O-N 3.03Å; M425-I429 HydrophobicContact CE-CD1 4.41Å; M425-I429 HydrophobicContact CG-CD1 4.03Å; M425-I429 WeakPolarHBondContact O-CB 3.5Å; M425-I429 WeakPolarHBondContact O-CD1 3.37Å; M425-I429 WeakPolarHBondContact O-CG1 3.39Å; M425-I429 PolarHBondContact O-N 2.95Å; M425-L469 HydrophobicContact CB-CD2 4.13Å; M425-L469 HydrophobicContact CG-CD1 4.41Å; M425-L519 HydrophobicContact CE-CD2 3.78Å; M425-L519 HydrophobicContact SD-CD2 4.16Å; M425-V675 HydrophobicContact CB-CG1 4.42Å; M425-V675 HydrophobicContact CE-CG2 4.11Å; M425-V675 HydrophobicContact CG-CG2 4.05Å; M425-V675 HydrophobicContact SD-CB 4.37Å; M425-V675 HydrophobicContact SD-CG2 4.12Å; M425-T678 HydrophobicContact SD-CG2 3.97Å |
| 426 | G | 87 | Confident | 87.2 | Confident | 24 Ų | 24 | 44.7 Ų | 44.7 | 25% | 0.247 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.2 | -41.4 | 172 | 0 | 0 | 0 | 0 | 0 | 113.1 | S422 I423 N430 | S422-G426 PolarHBondContact O-N 3.12Å; I423-G426 PolarHBondContact O-N 2.97Å; G426-N430 VanDerWaalsContact O-CG 3.3Å; G426-N430 PolarHBondContact O-N 3.05Å; G426-N430 VanDerWaalsContact O-N 3.11Å; G426-N430 PolarHBondContact O-ND2 2.96Å |
| 427 | E | 86.6 | Confident | 86.9 | Confident | 74 Ų | 74 | 47.1 Ų | 47.1 | 35% | 0.346 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65 | -42.1 | 173.6 | -76.5 | -167.1 | -160.3 | 0 | 0 | 113.4 | I423 A424 M425 N430 R431 R472 | I423-E427 PolarHBondContact O-N 3.4Å; A424-E427 PolarHBondContact O-N 2.82Å; M425-E427 PolarHBondContact O-N 3.48Å; E427-N430 PolarHBondContact O-N 3.31Å; E427-R431 WeakPolarHBondContact O-CG 3.44Å; E427-R431 PolarHBondContact O-N 3.43Å; E427-R472 IonicContact OE2-CZ 3.08Å; E427-R472 IonicContact OE2-NH1 3.5Å; E427-R472 PolarHBondContact OE2-NH1 3.39Å; E427-R472 IonicContact OE2-NH2 2.72Å; E427-R472 PolarHBondContact OE2-NH2 3.35Å |
| 428 | E | 86.8 | Confident | 86.7 | Confident | 5 Ų | 5 | 53 Ų | 53 | 2% | 0.023 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -70 | -35.7 | 178.1 | -67.1 | -53.1 | 127.3 | 0 | 0 | 112.1 | A424 M425 N430 R431 L432 M465 N468 R472 | A424-E428 WeakPolarHBondContact O-CG 3.33Å; A424-E428 PolarHBondContact O-N 2.9Å; M425-E428 PolarHBondContact O-N 3.03Å; E428-N430 VanDerWaalsContact C-N 3.33Å; E428-N430 PolarHBondContact O-N 3.26Å; E428-R431 CarbonylContact O-C 3.57Å; E428-R431 WeakPolarHBondContact O-CA 3.33Å; E428-R431 PolarHBondContact O-N 3.03Å; E428-L432 PolarHBondContact O-N 3.23Å; E428-M465 HydrophobicContact CB-CE 4.46Å; E428-N468 HydrophobicContact CG-CB 4.13Å; E428-N468 VanDerWaalsContact OE2-CB 3.31Å; E428-N468 WeakPolarHBondContact OE2-CB 3.43Å; E428-N468 PolarHBondContact OE2-ND2 3.37Å; E428-R472 VanDerWaalsContact OE1-CD 3.27Å; E428-R472 WeakPolarHBondContact OE1-CD 3.39Å; E428-R472 IonicContact OE1-CZ 2.64Å; E428-R472 IonicContact OE1-NE 2.94Å; E428-R472 IonicContact OE1-NH1 3.66Å; E428-R472 PolarHBondContact OE1-NH1 3.46Å |
| 429 | I | 85.9 | Confident | 86.5 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.015 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 171.5 | -71.6 | 164.6 | 0 | 0 | 0 | 110.5 | M425 R431 L432 M465 T668 L671 Q672 V675 | M425-I429 HydrophobicContact CE-CD1 4.41Å; M425-I429 HydrophobicContact CG-CD1 4.03Å; M425-I429 WeakPolarHBondContact O-CB 3.5Å; M425-I429 WeakPolarHBondContact O-CD1 3.37Å; M425-I429 WeakPolarHBondContact O-CG1 3.39Å; M425-I429 PolarHBondContact O-N 2.95Å; I429-R431 PolarHBondContact O-N 3.09Å; I429-L432 WeakPolarHBondContact O-CB 3.42Å; I429-L432 PolarHBondContact O-N 3.43Å; I429-L432 VanDerWaalsContact O-N 3.14Å; I429-M465 HydrophobicContact CG1-CE 3.95Å; I429-T668 HydrophobicContact CG2-CG2 3.78Å; I429-L671 HydrophobicContact CD1-CB 3.75Å; I429-L671 HydrophobicContact CG1-CB 3.88Å; I429-L671 HydrophobicContact CG1-CD1 4.47Å; I429-Q672 HydrophobicContact CD1-CG 4.47Å; I429-Q672 HydrophobicContact CG2-CG 4.2Å; I429-V675 HydrophobicContact CD1-CG2 3.48Å; I429-V675 VanDerWaalsContact CD1-CG2 3.48Å |
| 430 | N | 85.3 | Confident | 86 | Confident | 122 Ų | 122 | 58.7 Ų | 58.7 | 65% | 0.652 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -65.8 | -15.3 | 175.4 | -71.4 | -35.8 | 0 | 0 | 0 | 113.7 | G426 E427 E428 | G426-N430 VanDerWaalsContact O-CG 3.3Å; G426-N430 PolarHBondContact O-N 3.05Å; G426-N430 VanDerWaalsContact O-N 3.11Å; G426-N430 PolarHBondContact O-ND2 2.96Å; E427-N430 PolarHBondContact O-N 3.31Å; E428-N430 VanDerWaalsContact C-N 3.33Å; E428-N430 PolarHBondContact O-N 3.26Å |
| 431 | R | 85.4 | Confident | 85.4 | Confident | 120 Ų | 120 | 56.4 Ų | 56.4 | 45% | 0.453 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | 7.8 | 176.6 | -67.2 | 175.5 | 178.4 | 174.3 | 2.9 | 113.5 | E427 E428 I429 N433 V434 | E427-R431 WeakPolarHBondContact O-CG 3.44Å; E427-R431 PolarHBondContact O-N 3.43Å; E428-R431 CarbonylContact O-C 3.57Å; E428-R431 WeakPolarHBondContact O-CA 3.33Å; E428-R431 PolarHBondContact O-N 3.03Å; I429-R431 PolarHBondContact O-N 3.09Å; R431-N433 VanDerWaalsContact C-OD1 3.3Å; R431-N433 PolarHBondContact O-N 3.05Å; R431-N433 VanDerWaalsContact O-N 3.13Å; R431-N433 PolarHBondContact O-OD1 2.93Å; R431-V434 WeakPolarHBondContact O-CB 3.3Å; R431-V434 PolarHBondContact O-N 3.48Å |
| 432 | L | 86.1 | Confident | 84.7 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.8 | -30.4 | -177 | -177.8 | 62 | 0 | 0 | 0 | 112.7 | E428 I429 V434 I435 V436 V461 M465 A667 L671 | E428-L432 PolarHBondContact O-N 3.23Å; I429-L432 WeakPolarHBondContact O-CB 3.42Å; I429-L432 PolarHBondContact O-N 3.43Å; I429-L432 VanDerWaalsContact O-N 3.14Å; L432-V434 VanDerWaalsContact C-N 3.32Å; L432-V434 PolarHBondContact O-N 3.43Å; L432-I435 PolarHBondContact O-N 2.94Å; L432-V436 HydrophobicContact CD1-CG2 4.23Å; L432-V436 HydrophobicContact CG-CG2 4.27Å; L432-V436 WeakPolarHBondContact O-CG2 3.14Å; L432-V436 PolarHBondContact O-N 3.22Å; L432-V461 HydrophobicContact CD1-CG1 3.65Å; L432-M465 HydrophobicContact CD1-SD 3.96Å; L432-A667 HydrophobicContact CD2-CB 3.74Å; L432-L671 HydrophobicContact CD2-CD1 3.92Å |
| 433 | N | 83.9 | Confident | 84 | Confident | 78 Ų | 78 | 62.8 Ų | 62.8 | 42% | 0.417 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -56.2 | -41.5 | 172.7 | 61.6 | -22.6 | 0 | 0 | 0 | 113.1 | R431 V436 D437 V664 | R431-N433 VanDerWaalsContact C-OD1 3.3Å; R431-N433 PolarHBondContact O-N 3.05Å; R431-N433 VanDerWaalsContact O-N 3.13Å; R431-N433 PolarHBondContact O-OD1 2.93Å; N433-V436 PolarHBondContact O-N 3.29Å; N433-D437 WeakPolarHBondContact O-CB 3.4Å; N433-D437 PolarHBondContact O-N 2.82Å; N433-V664 HydrophobicContact CB-CG1 4.28Å |
| 434 | V | 85.4 | Confident | 83.3 | Confident | 75 Ų | 75 | 63.2 Ų | 63.2 | 46% | 0.455 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64 | -46.8 | 178.9 | -174.8 | 0 | 0 | 0 | 0 | 110.4 | R431 L432 V436 D437 E438 | R431-V434 WeakPolarHBondContact O-CB 3.3Å; R431-V434 PolarHBondContact O-N 3.48Å; L432-V434 VanDerWaalsContact C-N 3.32Å; L432-V434 PolarHBondContact O-N 3.43Å; V434-V436 VanDerWaalsContact C-N 3.34Å; V434-V436 PolarHBondContact O-N 3.49Å; V434-D437 PolarHBondContact O-N 3.49Å; V434-E438 WeakPolarHBondContact O-CG 3.26Å; V434-E438 PolarHBondContact O-N 3.38Å |
| 435 | I | 85 | Confident | 82.3 | Confident | 13 Ų | 13 | 65.2 Ų | 65.2 | 7% | 0.067 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 179.3 | -57 | 176.1 | 0 | 0 | 0 | 110.5 | L432 Y460 V461 M465 | L432-I435 PolarHBondContact O-N 2.94Å; I435-Y460 HydrophobicContact CG2-CD1 4.27Å; I435-Y460 HydrophobicContact CG2-CE1 4.05Å; I435-Y460 WeakPolarHBondContact O-CE1 3.43Å; I435-V461 HydrophobicContact CG2-CG2 4.34Å; I435-M465 HydrophobicContact CD1-CG 3.87Å |
| 436 | V | 85.6 | Confident | 81.7 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -72.8 | -35 | -179.6 | 172.4 | 0 | 0 | 0 | 0 | 112.5 | L432 N433 V434 F439 L457 V461 K660 F663 V664 | L432-V436 HydrophobicContact CD1-CG2 4.23Å; L432-V436 HydrophobicContact CG-CG2 4.27Å; L432-V436 WeakPolarHBondContact O-CG2 3.14Å; L432-V436 PolarHBondContact O-N 3.22Å; N433-V436 PolarHBondContact O-N 3.29Å; V434-V436 VanDerWaalsContact C-N 3.34Å; V434-V436 PolarHBondContact O-N 3.49Å; V436-F439 WeakPolarHBondContact O-CB 3.17Å; V436-F439 PolarHBondContact O-N 2.92Å; V436-L457 HydrophobicContact CG1-CD1 4.34Å; V436-V461 HydrophobicContact CG2-CG2 3.76Å; V436-K660 HydrophobicContact CG1-CB 3.74Å; V436-K660 HydrophobicContact CG1-CD 4.12Å; V436-K660 HydrophobicContact CG1-CG 3.65Å; V436-K660 WeakPolarHBondContact O-CE 3.3Å; V436-K660 PolarHBondContact O-NZ 3.35Å; V436-F663 HydrophobicContact CG1-CD1 4.36Å; V436-F663 HydrophobicContact CG2-CD1 3.97Å; V436-F663 HydrophobicContact CG2-CE1 3.94Å; V436-V664 HydrophobicContact CB-CG2 3.74Å; V436-V664 HydrophobicContact CG1-CG2 3.87Å; V436-V664 HydrophobicContact CG2-CG2 3.78Å |
| 437 | D | 83.1 | Confident | 81 | Confident | 105 Ų | 105 | 73.5 Ų | 73.5 | 56% | 0.561 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -73 | -32.5 | 177.6 | -81.8 | -24.6 | 0 | 0 | 0 | 112.7 | N433 V434 F439 | N433-D437 WeakPolarHBondContact O-CB 3.4Å; N433-D437 PolarHBondContact O-N 2.82Å; V434-D437 PolarHBondContact O-N 3.49Å; D437-F439 VanDerWaalsContact C-N 3.26Å; D437-F439 PolarHBondContact O-N 3.36Å |
| 438 | E | 85.3 | Confident | 80.3 | Confident | 122 Ų | 122 | 77.8 Ų | 77.8 | 57% | 0.57 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -67.2 | -22.6 | 173.9 | -76.9 | -176.4 | 177.1 | 0 | 0 | 113.7 | V434 R440 | V434-E438 WeakPolarHBondContact O-CG 3.26Å; V434-E438 PolarHBondContact O-N 3.38Å; E438-R440 PolarHBondContact O-N 3.04Å |
| 439 | F | 85.6 | Confident | 79.8 | Confident | 19 Ų | 19 | 80.2 Ų | 80.2 | 8% | 0.083 | 40% | 0.401 | C | S | . | . | trans | -63.1 | 126.1 | 179 | -178.8 | -104.6 | 0 | 0 | 0 | 112.2 | V436 D437 Y453 D456 L457 Y460 K660 | V436-F439 WeakPolarHBondContact O-CB 3.17Å; V436-F439 PolarHBondContact O-N 2.92Å; D437-F439 VanDerWaalsContact C-N 3.26Å; D437-F439 PolarHBondContact O-N 3.36Å; F439-Y453 HydrophobicContact CD1-CE2 4.32Å; F439-Y453 HydrophobicContact CE1-CD2 4.19Å; F439-Y453 HydrophobicContact CE1-CE1 4.25Å; F439-Y453 AromaticContact CE1-CE2 3.69Å; F439-Y453 HydrophobicContact CE1-CE2 3.69Å; F439-Y453 AromaticContact CE1-CZ 3.71Å; F439-D456 HydrophobicContact CZ-CB 4.12Å; F439-L457 HydrophobicContact CB-CD1 3.87Å; F439-L457 HydrophobicContact CD1-CB 4.35Å; F439-L457 HydrophobicContact CD1-CD1 3.68Å; F439-L457 HydrophobicContact CD2-CD1 4.29Å; F439-L457 HydrophobicContact CE1-CB 4.06Å; F439-L457 HydrophobicContact CE1-CD1 4.26Å; F439-L457 HydrophobicContact CG-CD1 3.68Å; F439-L457 HydrophobicContact CZ-CB 4.25Å; F439-Y460 HydrophobicContact CB-CD1 4.06Å; F439-Y460 HydrophobicContact CB-CE1 4.21Å; F439-Y460 AromaticContact CD2-CD1 3.8Å; F439-Y460 HydrophobicContact CD2-CD1 3.8Å; F439-Y460 HydrophobicContact CD2-CD2 4Å; F439-Y460 HydrophobicContact CD2-CE1 4.47Å; F439-Y460 AromaticContact CD2-CG 3.54Å; F439-Y460 HydrophobicContact CD2-CG 3.54Å; F439-Y460 HydrophobicContact CE2-CG 4.17Å; F439-Y460 HydrophobicContact CG-CD1 4.38Å; F439-K660 PolarHBondContact O-NZ 3.2Å | ||
| 440 | R | 77.6 | Confident | 79.4 | Confident | 234 Ų | 234 | 80.6 Ų | 80.6 | 88% | 0.883 | 40% | 0.403 | S | S | * | . | trans | -119 | 117.4 | 174.9 | -59.6 | -172.5 | -175.8 | -143.6 | 1.3 | 110 | E438 | E438-R440 PolarHBondContact O-N 3.04Š| ||
| 441 | G | 76.1 | Confident | 79.1 | Confident | 33 Ų | 33 | 82.2 Ų | 82.2 | 34% | 0.34 | 40% | 0.404 | S | S | . | . | trans | -149.9 | 162.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111 | F443 | G441-F443 PolarHBondContact O-N 3.07Š| ||
| 442 | D | 74.3 | Confident | 78.8 | Confident | 155 Ų | 155 | 82 Ų | 82 | 83% | 0.829 | 41% | 0.411 | S | S | * | . | trans | -75 | 98.5 | -176 | -69.4 | -41.7 | 0 | 0 | 0 | 111.5 | ||||
| 443 | F | 75.6 | Confident | 78.7 | Confident | 25 Ų | 25 | 82.4 Ų | 82.4 | 11% | 0.11 | 41% | 0.413 | C | S | . | . | trans | -83.6 | 116.6 | -179 | -177.6 | -96.5 | 0 | 0 | 0 | 112.3 | G441 L450 Y453 I532 T652 R655 E656 L659 | G441-F443 PolarHBondContact O-N 3.07Å; F443-L450 HydrophobicContact CE2-CD1 3.83Å; F443-Y453 HydrophobicContact CB-CD2 4.44Å; F443-Y453 HydrophobicContact CB-CE2 4.05Å; F443-Y453 HydrophobicContact CD2-CD1 4.4Å; F443-Y453 HydrophobicContact CD2-CD2 4.46Å; F443-Y453 HydrophobicContact CD2-CE1 4.23Å; F443-Y453 HydrophobicContact CD2-CE2 4.27Å; F443-I532 HydrophobicContact CZ-CD1 4.44Å; F443-T652 WeakPolarHBondContact CD1-O 3.49Å; F443-T652 WeakPolarHBondContact CE1-O 3.48Å; F443-R655 HydrophobicContact CE1-CB 3.76Å; F443-R655 HydrophobicContact CZ-CB 4.03Å; F443-E656 HydrophobicContact CB-CB 4.36Å; F443-E656 HydrophobicContact CB-CG 4.07Å; F443-E656 HydrophobicContact CD1-CB 3.9Å; F443-E656 HydrophobicContact CD1-CG 4.48Å; F443-E656 HydrophobicContact CD2-CB 4.16Å; F443-E656 HydrophobicContact CD2-CG 4.06Å; F443-E656 HydrophobicContact CE1-CB 4.23Å; F443-E656 HydrophobicContact CE2-CB 4.47Å; F443-E656 HydrophobicContact CG-CB 3.86Å; F443-E656 HydrophobicContact CG-CG 3.94Å; F443-L659 HydrophobicContact CE2-CD1 4.37Å | ||
| 444 | H | 73.4 | Confident | 78.6 | Confident | 109 Ų | 109 | 80.3 Ų | 80.3 | 51% | 0.505 | 40% | 0.4 | S | S | . | . | trans | -131.4 | 137.2 | 172.7 | -162.4 | -95.4 | 0 | 0 | 0 | 111.9 | S446 V449 | H444-S446 PolarHBondContact ND1-OG 2.69Å; H444-S446 PolarHBondContact O-N 2.95Å; H444-V449 HydrophobicContact CB-CB 4.33Å; H444-V449 HydrophobicContact CB-CG1 4Å | ||
| 445 | P | 66.6 | Low | 78.4 | Confident | 54 Ų | 54 | 79.3 Ų | 79.3 | 35% | 0.351 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -66.1 | 5.5 | -176.6 | -22.5 | 34.3 | 0 | 0 | 0 | 117.1 | T652 | P445-T652 HydrophobicContact CG-CG2 4.39Š|
| 446 | S | 74.3 | Confident | 78.3 | Confident | 44 Ų | 44 | 83 Ų | 83 | 31% | 0.308 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -85.1 | 127.5 | -177.9 | 47.1 | 0 | 0 | 0 | 0 | 111.5 | H444 Q448 V449 L450 | H444-S446 PolarHBondContact ND1-OG 2.69Å; H444-S446 PolarHBondContact O-N 2.95Å; S446-Q448 VanDerWaalsContact C-N 3.26Å; S446-Q448 PolarHBondContact O-N 3.07Å; S446-V449 PolarHBondContact O-N 2.85Å; S446-V449 WeakPolarHBondContact OG-CG2 3.46Å; S446-L450 WeakPolarHBondContact O-CB 3.25Å; S446-L450 PolarHBondContact O-N 2.9Å |
| 447 | H | 73.2 | Confident | 78.2 | Confident | 153 Ų | 153 | 83 Ų | 83 | 71% | 0.708 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -46.7 | -38.3 | -172.7 | -172.6 | -92.7 | 0 | 0 | 0 | 115.7 | K451 | H447-K451 PolarHBondContact O-N 3.38Å |
| 448 | Q | 71.2 | Confident | 78.2 | Confident | 165 Ų | 165 | 79.1 Ų | 79.1 | 77% | 0.771 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -69.6 | -46.9 | 178.2 | -68.6 | 178.2 | -7.1 | 0 | 0 | 112.9 | S446 L450 K451 L452 | S446-Q448 VanDerWaalsContact C-N 3.26Å; S446-Q448 PolarHBondContact O-N 3.07Å; Q448-L450 VanDerWaalsContact C-N 3.32Å; Q448-K451 PolarHBondContact O-N 3.46Å; Q448-L452 PolarHBondContact O-N 3.35Å |
| 449 | V | 76.4 | Confident | 78.2 | Confident | 55 Ų | 55 | 80 Ų | 80 | 33% | 0.333 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -66.6 | -37.9 | 177.7 | -178.6 | 0 | 0 | 0 | 0 | 110.6 | H444 S446 K451 L452 Y453 | H444-V449 HydrophobicContact CB-CB 4.33Å; H444-V449 HydrophobicContact CB-CG1 4Å; S446-V449 PolarHBondContact O-N 2.85Å; S446-V449 WeakPolarHBondContact OG-CG2 3.46Å; V449-K451 VanDerWaalsContact C-N 3.34Å; V449-K451 PolarHBondContact O-N 3.46Å; V449-L452 PolarHBondContact O-N 2.89Å; V449-Y453 WeakPolarHBondContact O-CB 3.14Å; V449-Y453 PolarHBondContact O-N 3.13Å |
| 450 | L | 78.4 | Confident | 78.2 | Confident | 11 Ų | 11 | 83.4 Ų | 83.4 | 6% | 0.058 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -63.3 | -37.9 | 179 | -167.1 | 56.2 | 0 | 0 | 0 | 112.4 | F443 S446 Q448 K454 E530 I532 L659 | F443-L450 HydrophobicContact CE2-CD1 3.83Å; S446-L450 WeakPolarHBondContact O-CB 3.25Å; S446-L450 PolarHBondContact O-N 2.9Å; Q448-L450 VanDerWaalsContact C-N 3.32Å; L450-K454 WeakPolarHBondContact O-CG 3.44Å; L450-K454 PolarHBondContact O-N 2.89Å; L450-E530 HydrophobicContact CD2-CG 4.37Å; L450-E530 VanDerWaalsContact CD2-OE2 3.22Å; L450-E530 WeakPolarHBondContact CD2-OE2 3.47Å; L450-E530 VanDerWaalsContact CG-OE2 3.23Å; L450-E530 WeakPolarHBondContact CG-OE2 3.31Å; L450-I532 HydrophobicContact CD1-CD1 4.15Å; L450-I532 HydrophobicContact CD2-CD1 3.94Å; L450-L659 HydrophobicContact CD1-CD1 3.84Å |
| 451 | K | 78.5 | Confident | 78.6 | Confident | 156 Ų | 156 | 72.4 Ų | 72.4 | 68% | 0.678 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -66.4 | -38.9 | 173.6 | -172.2 | 175.8 | -179.6 | 179.1 | 0 | 112.7 | H447 Q448 V449 A455 | H447-K451 PolarHBondContact O-N 3.38Å; Q448-K451 PolarHBondContact O-N 3.46Å; V449-K451 VanDerWaalsContact C-N 3.34Å; V449-K451 PolarHBondContact O-N 3.46Å; K451-A455 PolarHBondContact O-N 3.05Å |
| 452 | L | 80.3 | Confident | 79 | Confident | 116 Ų | 116 | 73.5 Ų | 73.5 | 61% | 0.607 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -67.2 | -48.5 | 175.1 | -67.5 | 171.5 | 0 | 0 | 0 | 111 | Q448 V449 K454 A455 D456 | Q448-L452 PolarHBondContact O-N 3.35Å; V449-L452 PolarHBondContact O-N 2.89Å; L452-K454 VanDerWaalsContact C-N 3.27Å; L452-K454 PolarHBondContact O-N 3.09Å; L452-A455 PolarHBondContact O-N 2.99Å; L452-D456 PolarHBondContact O-N 3.49Å |
| 453 | Y | 83.5 | Confident | 79.5 | Confident | 9 Ų | 9 | 72.5 Ų | 72.5 | 4% | 0.035 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -54.8 | -41.1 | 176.1 | -176.9 | -83.2 | 0 | 0 | 0 | 112.3 | F439 F443 V449 L457 L659 K660 | F439-Y453 HydrophobicContact CD1-CE2 4.32Å; F439-Y453 HydrophobicContact CE1-CD2 4.19Å; F439-Y453 HydrophobicContact CE1-CE1 4.25Å; F439-Y453 AromaticContact CE1-CE2 3.69Å; F439-Y453 HydrophobicContact CE1-CE2 3.69Å; F439-Y453 AromaticContact CE1-CZ 3.71Å; F443-Y453 HydrophobicContact CB-CD2 4.44Å; F443-Y453 HydrophobicContact CB-CE2 4.05Å; F443-Y453 HydrophobicContact CD2-CD1 4.4Å; F443-Y453 HydrophobicContact CD2-CD2 4.46Å; F443-Y453 HydrophobicContact CD2-CE1 4.23Å; F443-Y453 HydrophobicContact CD2-CE2 4.27Å; V449-Y453 WeakPolarHBondContact O-CB 3.14Å; V449-Y453 PolarHBondContact O-N 3.13Å; Y453-L457 HydrophobicContact CE1-CD2 4.37Å; Y453-L457 WeakPolarHBondContact O-CB 3.34Å; Y453-L457 PolarHBondContact O-N 3.5Å; Y453-L659 HydrophobicContact CD1-CD2 4.43Å; Y453-L659 HydrophobicContact CE1-CD2 3.91Å; Y453-K660 WeakPolarHBondContact OH-CE 3.47Å |
| 454 | K | 80.6 | Confident | 79.9 | Confident | 33 Ų | 33 | 72.1 Ų | 72.1 | 14% | 0.143 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.8 | -45.6 | 173.1 | -80.1 | 177.4 | 170.5 | -177 | 0 | 113.1 | L450 L452 L457 L458 F528 E530 | L450-K454 WeakPolarHBondContact O-CG 3.44Å; L450-K454 PolarHBondContact O-N 2.89Å; L452-K454 VanDerWaalsContact C-N 3.27Å; L452-K454 PolarHBondContact O-N 3.09Å; K454-L457 PolarHBondContact O-N 3.37Å; K454-L458 WeakPolarHBondContact O-CB 3.15Å; K454-L458 WeakPolarHBondContact O-CG 3.49Å; K454-L458 PolarHBondContact O-N 2.58Å; K454-F528 HydrophobicContact CD-CD1 4.4Å; K454-F528 PolarHBondContact NZ-O 2.98Å; K454-E530 VanDerWaalsContact CE-CD 3.45Å; K454-E530 WeakPolarHBondContact CE-OE1 3.33Å; K454-E530 WeakPolarHBondContact CE-OE2 3.49Å; K454-E530 IonicContact NZ-OE1 2.92Å; K454-E530 PolarHBondContact NZ-OE1 3.5Å; K454-E530 IonicContact NZ-OE2 2.68Å; K454-E530 PolarHBondContact NZ-OE2 3.15Å; K454-E530 VanDerWaalsContact NZ-OE2 3.08Å |
| 455 | A | 81.9 | Confident | 80.4 | Confident | 54 Ų | 54 | 66.9 Ų | 66.9 | 45% | 0.446 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.2 | -41.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | K451 L452 L458 K459 | K451-A455 PolarHBondContact O-N 3.05Å; L452-A455 PolarHBondContact O-N 2.99Å; A455-L458 PolarHBondContact O-N 3.19Å; A455-K459 WeakPolarHBondContact O-CB 3.26Å; A455-K459 PolarHBondContact O-N 3.41Å |
| 456 | D | 83.1 | Confident | 81.3 | Confident | 91 Ų | 91 | 65.1 Ų | 65.1 | 49% | 0.487 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -70.2 | -38.2 | 177 | -71.9 | -32.8 | 0 | 0 | 0 | 112.3 | F439 L452 K459 Y460 | F439-D456 HydrophobicContact CZ-CB 4.12Å; L452-D456 PolarHBondContact O-N 3.49Å; D456-K459 PolarHBondContact O-N 3.38Å; D456-Y460 WeakPolarHBondContact O-CB 3.32Å; D456-Y460 PolarHBondContact O-N 3.05Å |
| 457 | L | 83.8 | Confident | 81.7 | Confident | 1 Ų | 1 | 69.4 Ų | 69.4 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.9 | -46.1 | 172.7 | 176.9 | 62.8 | 0 | 0 | 0 | 111.4 | V436 F439 Y453 K454 Y460 V461 F663 | V436-L457 HydrophobicContact CG1-CD1 4.34Å; F439-L457 HydrophobicContact CB-CD1 3.87Å; F439-L457 HydrophobicContact CD1-CB 4.35Å; F439-L457 HydrophobicContact CD1-CD1 3.68Å; F439-L457 HydrophobicContact CD2-CD1 4.29Å; F439-L457 HydrophobicContact CE1-CB 4.06Å; F439-L457 HydrophobicContact CE1-CD1 4.26Å; F439-L457 HydrophobicContact CG-CD1 3.68Å; F439-L457 HydrophobicContact CZ-CB 4.25Å; Y453-L457 HydrophobicContact CE1-CD2 4.37Å; Y453-L457 WeakPolarHBondContact O-CB 3.34Å; Y453-L457 PolarHBondContact O-N 3.5Å; K454-L457 PolarHBondContact O-N 3.37Å; L457-Y460 PolarHBondContact O-N 3.39Å; L457-V461 HydrophobicContact CD1-CG2 4.18Å; L457-V461 WeakPolarHBondContact O-CB 3.43Å; L457-V461 VanDerWaalsContact O-CG2 3.3Å; L457-V461 WeakPolarHBondContact O-CG2 3.41Å; L457-V461 PolarHBondContact O-N 2.97Å; L457-F663 HydrophobicContact CD2-CD1 3.94Å; L457-F663 HydrophobicContact CD2-CD2 4.41Å; L457-F663 HydrophobicContact CD2-CE1 4.11Å; L457-F663 HydrophobicContact CD2-CG 4.1Å; L457-F663 HydrophobicContact CD2-CZ 4.41Å; L457-F663 HydrophobicContact CG-CE1 4.24Å; L457-F663 HydrophobicContact CG-CZ 4.43Å |
| 458 | L | 83.5 | Confident | 82.3 | Confident | 22 Ų | 22 | 65.1 Ų | 65.1 | 12% | 0.115 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.1 | -47 | 177.1 | -81.3 | 164.9 | 0 | 0 | 0 | 111.8 | K454 A455 Y460 V461 E462 C521 C525 F663 | K454-L458 WeakPolarHBondContact O-CB 3.15Å; K454-L458 WeakPolarHBondContact O-CG 3.49Å; K454-L458 PolarHBondContact O-N 2.58Å; A455-L458 PolarHBondContact O-N 3.19Å; L458-Y460 VanDerWaalsContact C-N 3.3Å; L458-Y460 PolarHBondContact O-N 3.46Å; L458-V461 PolarHBondContact O-N 3.29Å; L458-E462 VanDerWaalsContact O-CB 3.32Å; L458-E462 WeakPolarHBondContact O-CB 3.39Å; L458-E462 PolarHBondContact O-N 3.07Å; L458-C521 HydrophobicContact CD2-CB 4.29Å; L458-C525 HydrophobicContact CD1-CB 4.12Å; L458-C525 HydrophobicContact CD2-CB 3.46Å; L458-C525 VanDerWaalsContact CD2-CB 3.46Å; L458-C525 HydrophobicContact CG-CB 4.41Å; L458-F663 HydrophobicContact CD2-CE2 3.78Å; L458-F663 HydrophobicContact CD2-CZ 3.69Å; L458-F663 HydrophobicContact CG-CE2 4.14Å; L458-F663 HydrophobicContact CG-CZ 4.23Å |
| 459 | K | 84.3 | Confident | 82.9 | Confident | 142 Ų | 142 | 57.2 Ų | 57.2 | 62% | 0.617 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -64.3 | -33.5 | 177.1 | -171.9 | 176.7 | -175.9 | 176.8 | 0 | 112.7 | A455 D456 K463 | A455-K459 WeakPolarHBondContact O-CB 3.26Å; A455-K459 PolarHBondContact O-N 3.41Å; D456-K459 PolarHBondContact O-N 3.38Å; K459-K463 WeakPolarHBondContact O-CB 2.97Å; K459-K463 PolarHBondContact O-N 2.94Å; K459-K463 VanDerWaalsContact O-N 3.14Å |
| 460 | Y | 86.1 | Confident | 83.3 | Confident | 90 Ų | 90 | 56.1 Ų | 56.1 | 35% | 0.353 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -69.3 | -46.2 | 173.8 | -176.7 | -93.7 | 0 | 0 | 0 | 111.6 | I435 F439 D456 L457 L458 K463 G464 | I435-Y460 HydrophobicContact CG2-CD1 4.27Å; I435-Y460 HydrophobicContact CG2-CE1 4.05Å; I435-Y460 WeakPolarHBondContact O-CE1 3.43Å; F439-Y460 HydrophobicContact CB-CD1 4.06Å; F439-Y460 HydrophobicContact CB-CE1 4.21Å; F439-Y460 AromaticContact CD2-CD1 3.8Å; F439-Y460 HydrophobicContact CD2-CD1 3.8Å; F439-Y460 HydrophobicContact CD2-CD2 4Å; F439-Y460 HydrophobicContact CD2-CE1 4.47Å; F439-Y460 AromaticContact CD2-CG 3.54Å; F439-Y460 HydrophobicContact CD2-CG 3.54Å; F439-Y460 HydrophobicContact CE2-CG 4.17Å; F439-Y460 HydrophobicContact CG-CD1 4.38Å; D456-Y460 WeakPolarHBondContact O-CB 3.32Å; D456-Y460 PolarHBondContact O-N 3.05Å; L457-Y460 PolarHBondContact O-N 3.39Å; L458-Y460 VanDerWaalsContact C-N 3.3Å; L458-Y460 PolarHBondContact O-N 3.46Å; Y460-K463 PolarHBondContact O-N 2.88Å; Y460-G464 PolarHBondContact O-N 3.49Å |
| 461 | V | 85.8 | Confident | 83.6 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.012 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.2 | -49 | 177.8 | 166.5 | 0 | 0 | 0 | 0 | 111.1 | L432 I435 V436 L457 L458 K463 G464 M465 F663 | L432-V461 HydrophobicContact CD1-CG1 3.65Å; I435-V461 HydrophobicContact CG2-CG2 4.34Å; V436-V461 HydrophobicContact CG2-CG2 3.76Å; L457-V461 HydrophobicContact CD1-CG2 4.18Å; L457-V461 WeakPolarHBondContact O-CB 3.43Å; L457-V461 VanDerWaalsContact O-CG2 3.3Å; L457-V461 WeakPolarHBondContact O-CG2 3.41Å; L457-V461 PolarHBondContact O-N 2.97Å; L458-V461 PolarHBondContact O-N 3.29Å; V461-K463 PolarHBondContact O-N 3.04Å; V461-G464 PolarHBondContact O-N 3.35Å; V461-M465 HydrophobicContact CG1-CG 4.34Å; V461-M465 HydrophobicContact CG1-SD 3.96Å; V461-M465 WeakPolarHBondContact O-CB 3.3Å; V461-M465 WeakPolarHBondContact O-CG 3.48Å; V461-M465 PolarHBondContact O-N 2.98Å; V461-F663 HydrophobicContact CG2-CE1 4.13Å |
| 462 | E | 84.2 | Confident | 83.7 | Confident | 56 Ų | 56 | 60.9 Ų | 60.9 | 26% | 0.262 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.5 | -46.9 | 177.2 | -176.9 | 165.9 | -137.6 | 0 | 0 | 111.9 | L458 G464 G466 L519 N520 C521 | L458-E462 VanDerWaalsContact O-CB 3.32Å; L458-E462 WeakPolarHBondContact O-CB 3.39Å; L458-E462 PolarHBondContact O-N 3.07Å; E462-G464 VanDerWaalsContact C-N 3.34Å; E462-G464 PolarHBondContact O-N 3.38Å; E462-G466 PolarHBondContact O-N 3.49Å; E462-L519 HydrophobicContact CG-CB 4.45Å; E462-N520 VanDerWaalsContact OE1-CA 3.29Å; E462-N520 WeakPolarHBondContact OE1-CA 3.17Å; E462-N520 PolarHBondContact OE1-N 3.43Å; E462-C521 HydrophobicContact CB-CB 4.05Å; E462-C521 HydrophobicContact CG-CB 4.38Å; E462-C521 PolarHBondContact OE1-N 2.83Å |
| 463 | K | 84.7 | Confident | 83.9 | Confident | 135 Ų | 135 | 55.7 Ų | 55.7 | 59% | 0.587 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -67.9 | -31.4 | 176.6 | -172.9 | 174.9 | -177 | 177.5 | 0 | 113 | K459 Y460 V461 K467 | K459-K463 WeakPolarHBondContact O-CB 2.97Å; K459-K463 PolarHBondContact O-N 2.94Å; K459-K463 VanDerWaalsContact O-N 3.14Å; Y460-K463 PolarHBondContact O-N 2.88Å; V461-K463 PolarHBondContact O-N 3.04Å; K463-K467 WeakPolarHBondContact O-CB 2.98Å; K463-K467 WeakPolarHBondContact O-CG 3.34Å; K463-K467 PolarHBondContact O-N 3.38Å |
| 464 | G | 84.3 | Confident | 83.9 | Confident | 16 Ų | 16 | 56.2 Ų | 56.2 | 17% | 0.165 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -72.1 | -54.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y460 V461 E462 G466 K467 N468 | Y460-G464 PolarHBondContact O-N 3.49Å; V461-G464 PolarHBondContact O-N 3.35Å; E462-G464 VanDerWaalsContact C-N 3.34Å; E462-G464 PolarHBondContact O-N 3.38Å; G464-G466 PolarHBondContact O-N 3.42Å; G464-K467 PolarHBondContact O-N 3.04Å; G464-N468 PolarHBondContact O-N 3.37Å; G464-N468 PolarHBondContact O-OD1 3.47Å |
| 465 | M | 84.1 | Confident | 84 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.4 | -49.1 | 176.7 | -70.8 | -174.1 | 71.9 | 0 | 0 | 111.4 | E428 I429 L432 I435 V461 K467 N468 L469 L519 L671 | E428-M465 HydrophobicContact CB-CE 4.46Å; I429-M465 HydrophobicContact CG1-CE 3.95Å; L432-M465 HydrophobicContact CD1-SD 3.96Å; I435-M465 HydrophobicContact CD1-CG 3.87Å; V461-M465 HydrophobicContact CG1-CG 4.34Å; V461-M465 HydrophobicContact CG1-SD 3.96Å; V461-M465 WeakPolarHBondContact O-CB 3.3Å; V461-M465 WeakPolarHBondContact O-CG 3.48Å; V461-M465 PolarHBondContact O-N 2.98Å; M465-K467 VanDerWaalsContact C-N 3.29Å; M465-K467 PolarHBondContact O-N 3.33Å; M465-N468 PolarHBondContact O-N 3.12Å; M465-N468 VanDerWaalsContact O-N 3.15Å; M465-L469 WeakPolarHBondContact O-CB 3.04Å; M465-L469 PolarHBondContact O-N 3.11Å; M465-L519 HydrophobicContact CB-CD1 3.76Å; M465-L671 HydrophobicContact CE-CD1 4.05Å; M465-L671 HydrophobicContact CE-CD2 4.49Å; M465-L671 HydrophobicContact SD-CD1 3.8Å |
| 466 | G | 84.6 | Confident | 84.1 | Confident | 17 Ų | 17 | 59.5 Ų | 59.5 | 18% | 0.175 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.1 | -37.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | E462 G464 A470 | E462-G466 PolarHBondContact O-N 3.49Å; G464-G466 PolarHBondContact O-N 3.42Å; G466-A470 VanDerWaalsContact O-CB 3.26Å; G466-A470 WeakPolarHBondContact O-CB 3.36Å; G466-A470 PolarHBondContact O-N 2.99Å |
| 467 | K | 83.9 | Confident | 84.2 | Confident | 134 Ų | 134 | 55.3 Ų | 55.3 | 58% | 0.583 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -68.3 | -42.6 | 173.4 | -81.8 | 179.3 | 170.1 | -160.8 | 0 | 113.1 | K463 G464 M465 A470 F471 | K463-K467 WeakPolarHBondContact O-CB 2.98Å; K463-K467 WeakPolarHBondContact O-CG 3.34Å; K463-K467 PolarHBondContact O-N 3.38Å; G464-K467 PolarHBondContact O-N 3.04Å; M465-K467 VanDerWaalsContact C-N 3.29Å; M465-K467 PolarHBondContact O-N 3.33Å; K467-A470 PolarHBondContact O-N 3.37Å; K467-F471 WeakPolarHBondContact O-CB 3.22Å; K467-F471 PolarHBondContact O-N 3.04Å |
| 468 | N | 85.1 | Confident | 84.3 | Confident | 62 Ų | 62 | 56.5 Ų | 56.5 | 33% | 0.332 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.6 | -43.6 | 179.2 | -70.8 | 2 | 0 | 0 | 0 | 110.9 | E428 G464 M465 F471 R472 | E428-N468 HydrophobicContact CG-CB 4.13Å; E428-N468 VanDerWaalsContact OE2-CB 3.31Å; E428-N468 WeakPolarHBondContact OE2-CB 3.43Å; E428-N468 PolarHBondContact OE2-ND2 3.37Å; G464-N468 PolarHBondContact O-N 3.37Å; G464-N468 PolarHBondContact O-OD1 3.47Å; M465-N468 PolarHBondContact O-N 3.12Å; M465-N468 VanDerWaalsContact O-N 3.15Å; N468-F471 PolarHBondContact O-N 3.19Å; N468-R472 WeakPolarHBondContact O-CB 3.49Å; N468-R472 VanDerWaalsContact O-CG 3.24Å; N468-R472 WeakPolarHBondContact O-CG 3.39Å; N468-R472 PolarHBondContact O-N 3.42Å |
| 469 | L | 84.3 | Confident | 84.4 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.4 | -49.2 | 172 | -88.6 | 147.1 | 0 | 0 | 0 | 111.4 | V421 A424 M425 M465 F471 R472 C473 Y517 L519 | V421-L469 HydrophobicContact CG1-CD2 4.48Å; A424-L469 HydrophobicContact CB-CD2 4.22Å; M425-L469 HydrophobicContact CB-CD2 4.13Å; M425-L469 HydrophobicContact CG-CD1 4.41Å; M465-L469 WeakPolarHBondContact O-CB 3.04Å; M465-L469 PolarHBondContact O-N 3.11Å; L469-F471 PolarHBondContact O-N 3.45Å; L469-R472 PolarHBondContact O-N 2.97Å; L469-C473 VanDerWaalsContact O-CB 3.29Å; L469-C473 WeakPolarHBondContact O-CB 3.3Å; L469-C473 PolarHBondContact O-N 3.34Å; L469-Y517 HydrophobicContact CB-CD1 3.87Å; L469-Y517 HydrophobicContact CB-CE1 3.9Å; L469-Y517 HydrophobicContact CB-CG 4.2Å; L469-Y517 HydrophobicContact CD2-CD1 4.14Å; L469-Y517 HydrophobicContact CD2-CE1 4.03Å; L469-Y517 HydrophobicContact CG-CD1 4.43Å; L469-L519 HydrophobicContact CD1-CD1 4.2Å; L469-L519 HydrophobicContact CD1-CD2 4.4Å |
| 470 | A | 84.8 | Confident | 84.5 | Confident | 32 Ų | 32 | 52.7 Ų | 52.7 | 26% | 0.264 | 28% | 0.281 | S | S | . | . | I | π-helix | trans | -58.3 | -45.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | G466 K467 R472 S474 Y517 | G466-A470 VanDerWaalsContact O-CB 3.26Å; G466-A470 WeakPolarHBondContact O-CB 3.36Å; G466-A470 PolarHBondContact O-N 2.99Å; K467-A470 PolarHBondContact O-N 3.37Å; A470-R472 PolarHBondContact O-N 2.73Å; A470-S474 WeakPolarHBondContact O-CA 3.12Å; A470-S474 WeakPolarHBondContact O-CB 3.35Å; A470-S474 PolarHBondContact O-N 2.91Å; A470-Y517 HydrophobicContact CB-CD2 4.37Å; A470-Y517 HydrophobicContact CB-CE2 3.93Å |
| 471 | F | 83.6 | Confident | 84.5 | Confident | 173 Ų | 173 | 48.5 Ų | 48.5 | 76% | 0.759 | 27% | 0.265 | S | S | * | . | I | π-helix | trans | -63.8 | -40 | 178.9 | -178.1 | -101.7 | 0 | 0 | 0 | 113.1 | K467 N468 L469 | K467-F471 WeakPolarHBondContact O-CB 3.22Å; K467-F471 PolarHBondContact O-N 3.04Å; N468-F471 PolarHBondContact O-N 3.19Å; L469-F471 PolarHBondContact O-N 3.45Å |
| 472 | R | 81.7 | Confident | 84.5 | Confident | 93 Ų | 93 | 53 Ų | 53 | 35% | 0.351 | 29% | 0.286 | S | S | . | . | I | π-helix | trans | -82.7 | -35.7 | -175.9 | -64.2 | 179.8 | 102.8 | -157.9 | -13.3 | 113 | E427 E428 N468 L469 A470 | E427-R472 IonicContact OE2-CZ 3.08Å; E427-R472 IonicContact OE2-NH1 3.5Å; E427-R472 PolarHBondContact OE2-NH1 3.39Å; E427-R472 IonicContact OE2-NH2 2.72Å; E427-R472 PolarHBondContact OE2-NH2 3.35Å; E428-R472 VanDerWaalsContact OE1-CD 3.27Å; E428-R472 WeakPolarHBondContact OE1-CD 3.39Å; E428-R472 IonicContact OE1-CZ 2.64Å; E428-R472 IonicContact OE1-NE 2.94Å; E428-R472 IonicContact OE1-NH1 3.66Å; E428-R472 PolarHBondContact OE1-NH1 3.46Å; N468-R472 WeakPolarHBondContact O-CB 3.49Å; N468-R472 VanDerWaalsContact O-CG 3.24Å; N468-R472 WeakPolarHBondContact O-CG 3.39Å; N468-R472 PolarHBondContact O-N 3.42Å; L469-R472 PolarHBondContact O-N 2.97Å; A470-R472 PolarHBondContact O-N 2.73Å |
| 473 | C | 83.3 | Confident | 84.6 | Confident | 7 Ų | 7 | 54.2 Ų | 54.2 | 5% | 0.047 | 30% | 0.301 | C | S | . | . | I | π-helix | trans | -104.6 | -36.8 | -173.2 | -65.5 | 0 | 0 | 0 | 0 | 114.1 | A424 L469 T475 A476 I477 Y517 | A424-C473 WeakPolarHBondContact CB-SG 3.4Å; L469-C473 VanDerWaalsContact O-CB 3.29Å; L469-C473 WeakPolarHBondContact O-CB 3.3Å; L469-C473 PolarHBondContact O-N 3.34Å; C473-T475 PolarHBondContact O-N 3.29Å; C473-A476 PolarHBondContact O-N 3.18Å; C473-A476 VanDerWaalsContact O-N 3.15Å; C473-I477 HydrophobicContact CB-CD1 3.83Å; C473-I477 WeakPolarHBondContact O-CB 3.32Å; C473-I477 VanDerWaalsContact O-CG1 3.31Å; C473-I477 WeakPolarHBondContact O-CG1 3.48Å; C473-I477 PolarHBondContact O-N 2.83Å; C473-Y517 VanDerWaalsContact CB-OH 3.27Å; C473-Y517 WeakPolarHBondContact CB-OH 3.47Å |
| 474 | S | 83.9 | Confident | 84.6 | Confident | 20 Ų | 20 | 48.2 Ų | 48.2 | 14% | 0.14 | 28% | 0.275 | C | S | . | . | I | π-helix | trans | -58.8 | -44.6 | -169.8 | -173.2 | 0 | 0 | 0 | 0 | 112.5 | A470 A476 I477 N478 | A470-S474 WeakPolarHBondContact O-CA 3.12Å; A470-S474 WeakPolarHBondContact O-CB 3.35Å; A470-S474 PolarHBondContact O-N 2.91Å; S474-A476 PolarHBondContact O-N 3.47Å; S474-I477 PolarHBondContact O-N 3.44Å; S474-N478 WeakPolarHBondContact O-CB 3.46Å; S474-N478 PolarHBondContact O-N 3.36Å; S474-N478 PolarHBondContact O-ND2 2.99Å; S474-N478 PolarHBondContact OG-ND2 3.3Å |
| 475 | T | 82.9 | Confident | 84.7 | Confident | 108 Ų | 108 | 49.1 Ų | 49.1 | 66% | 0.663 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -61.4 | -42.7 | 178.9 | -47.6 | 0 | 0 | 0 | 0 | 112.6 | C473 A479 | C473-T475 PolarHBondContact O-N 3.29Å; T475-A479 WeakPolarHBondContact O-CB 3.42Å; T475-A479 PolarHBondContact O-N 3.09Å |
| 476 | A | 83.9 | Confident | 84.7 | Confident | 48 Ų | 48 | 52 Ų | 52 | 40% | 0.397 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -73.6 | -39.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | C473 S474 S480 | C473-A476 PolarHBondContact O-N 3.18Å; C473-A476 VanDerWaalsContact O-N 3.15Å; S474-A476 PolarHBondContact O-N 3.47Å; A476-S480 PolarHBondContact O-N 3.37Å; A476-S480 VanDerWaalsContact O-N 3.13Å |
| 477 | I | 86.1 | Confident | 84.8 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.015 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.7 | -47 | 175.7 | -65.2 | 171.5 | 0 | 0 | 0 | 109.7 | V417 V421 C473 S474 A479 S480 V481 F513 L515 V686 | V417-I477 HydrophobicContact CG1-CD1 4.12Å; V417-I477 HydrophobicContact CG2-CG1 4.25Å; V417-I477 HydrophobicContact CG2-CG2 4.08Å; V421-I477 HydrophobicContact CG2-CD1 3.89Å; C473-I477 HydrophobicContact CB-CD1 3.83Å; C473-I477 WeakPolarHBondContact O-CB 3.32Å; C473-I477 VanDerWaalsContact O-CG1 3.31Å; C473-I477 WeakPolarHBondContact O-CG1 3.48Å; C473-I477 PolarHBondContact O-N 2.83Å; S474-I477 PolarHBondContact O-N 3.44Å; I477-A479 VanDerWaalsContact C-N 3.35Å; I477-A479 PolarHBondContact O-N 2.95Å; I477-S480 WeakPolarHBondContact O-CB 3.12Å; I477-S480 PolarHBondContact O-N 2.82Å; I477-S480 VanDerWaalsContact O-N 3.09Å; I477-V481 HydrophobicContact CG2-CG2 4.22Å; I477-V481 WeakPolarHBondContact O-CG2 3.37Å; I477-V481 PolarHBondContact O-N 3.19Å; I477-F513 HydrophobicContact CG2-CE1 4.19Å; I477-L515 HydrophobicContact CD1-CD2 3.71Å; I477-V686 HydrophobicContact CG2-CG2 3.98Å |
| 478 | N | 85.4 | Confident | 85 | Confident | 26 Ų | 26 | 47.8 Ų | 47.8 | 14% | 0.139 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.8 | -40.4 | 177.7 | -89 | -49.2 | 0 | 0 | 0 | 113 | S474 S480 V481 Q482 F513 | S474-N478 WeakPolarHBondContact O-CB 3.46Å; S474-N478 PolarHBondContact O-N 3.36Å; S474-N478 PolarHBondContact O-ND2 2.99Å; S474-N478 PolarHBondContact OG-ND2 3.3Å; N478-S480 VanDerWaalsContact C-N 3.34Å; N478-S480 PolarHBondContact O-N 3.12Å; N478-V481 PolarHBondContact O-N 3.12Å; N478-Q482 VanDerWaalsContact O-CB 3.32Å; N478-Q482 WeakPolarHBondContact O-CB 3.5Å; N478-Q482 WeakPolarHBondContact O-CG 3.1Å; N478-Q482 PolarHBondContact O-N 3.05Å; N478-F513 VanDerWaalsContact CG-O 3.3Å; N478-F513 PolarHBondContact ND2-O 3.26Å; N478-F513 WeakPolarHBondContact OD1-CB 3.41Å; N478-F513 PolarHBondContact OD1-O 3.44Å |
| 479 | A | 85.2 | Confident | 84.9 | Confident | 58 Ų | 58 | 45.4 Ų | 45.4 | 48% | 0.479 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.1 | -40.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T475 I477 S483 | T475-A479 WeakPolarHBondContact O-CB 3.42Å; T475-A479 PolarHBondContact O-N 3.09Å; I477-A479 VanDerWaalsContact C-N 3.35Å; I477-A479 PolarHBondContact O-N 2.95Å; A479-S483 WeakPolarHBondContact O-CB 3.47Å; A479-S483 PolarHBondContact O-N 3.18Å |
| 480 | S | 86.1 | Confident | 85 | Confident | 27 Ų | 27 | 49.4 Ų | 49.4 | 19% | 0.189 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.9 | -45.7 | 177.4 | -166.2 | 0 | 0 | 0 | 0 | 112.4 | A476 I477 N478 S484 | A476-S480 PolarHBondContact O-N 3.37Å; A476-S480 VanDerWaalsContact O-N 3.13Å; I477-S480 WeakPolarHBondContact O-CB 3.12Å; I477-S480 PolarHBondContact O-N 2.82Å; I477-S480 VanDerWaalsContact O-N 3.09Å; N478-S480 VanDerWaalsContact C-N 3.34Å; N478-S480 PolarHBondContact O-N 3.12Å; S480-S484 VanDerWaalsContact O-CB 3.3Å; S480-S484 WeakPolarHBondContact O-CB 3.36Å; S480-S484 PolarHBondContact O-N 2.68Å; S480-S484 VanDerWaalsContact O-N 3.1Å; S480-S484 PolarHBondContact O-OG 2.86Å |
| 481 | V | 86.2 | Confident | 84.9 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.7 | -50 | 177.1 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | I477 N478 S484 Q485 F513 V686 | I477-V481 HydrophobicContact CG2-CG2 4.22Å; I477-V481 WeakPolarHBondContact O-CG2 3.37Å; I477-V481 PolarHBondContact O-N 3.19Å; N478-V481 PolarHBondContact O-N 3.12Å; V481-S484 PolarHBondContact O-N 2.97Å; V481-Q485 HydrophobicContact CG1-CG 4.29Å; V481-Q485 WeakPolarHBondContact O-CB 3.2Å; V481-Q485 WeakPolarHBondContact O-CG 3.46Å; V481-Q485 PolarHBondContact O-N 2.94Å; V481-F513 HydrophobicContact CG2-CD1 4.32Å; V481-F513 HydrophobicContact CG2-CE1 4.39Å; V481-V686 HydrophobicContact CG2-CG1 3.83Å; V481-V686 HydrophobicContact CG2-CG2 4.29Å |
| 482 | Q | 85.4 | Confident | 84.9 | Confident | 98 Ų | 98 | 41.1 Ų | 41.1 | 46% | 0.458 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63 | -44.9 | 179.6 | -74.7 | -174.6 | 1.7 | 0 | 0 | 112.7 | N478 S484 Q485 Q486 | N478-Q482 VanDerWaalsContact O-CB 3.32Å; N478-Q482 WeakPolarHBondContact O-CB 3.5Å; N478-Q482 WeakPolarHBondContact O-CG 3.1Å; N478-Q482 PolarHBondContact O-N 3.05Å; Q482-S484 PolarHBondContact O-N 2.98Å; Q482-Q485 PolarHBondContact O-N 3.49Å; Q482-Q486 WeakPolarHBondContact O-CB 3.48Å; Q482-Q486 PolarHBondContact O-N 3.03Å |
| 483 | S | 86.6 | Confident | 85 | Confident | 81 Ų | 81 | 38.5 Ų | 38.5 | 57% | 0.566 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -56.2 | -40.5 | 175.6 | 178.5 | 0 | 0 | 0 | 0 | 111.6 | A479 Y487 | A479-S483 WeakPolarHBondContact O-CB 3.47Å; A479-S483 PolarHBondContact O-N 3.18Å; S483-Y487 WeakPolarHBondContact O-CB 3.44Å; S483-Y487 PolarHBondContact O-N 2.64Å |
| 484 | S | 86.3 | Confident | 85.1 | Confident | 8 Ų | 8 | 41.7 Ų | 41.7 | 6% | 0.056 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -82.7 | -31.7 | -176 | -57.7 | 0 | 0 | 0 | 0 | 113.2 | I413 S480 V481 Q482 M488 M690 | I413-S484 WeakPolarHBondContact CD1-OG 3.32Å; S480-S484 VanDerWaalsContact O-CB 3.3Å; S480-S484 WeakPolarHBondContact O-CB 3.36Å; S480-S484 PolarHBondContact O-N 2.68Å; S480-S484 VanDerWaalsContact O-N 3.1Å; S480-S484 PolarHBondContact O-OG 2.86Å; V481-S484 PolarHBondContact O-N 2.97Å; Q482-S484 PolarHBondContact O-N 2.98Å; S484-M488 VanDerWaalsContact O-CG 3.29Å; S484-M488 WeakPolarHBondContact O-CG 3.24Å; S484-M488 PolarHBondContact O-N 2.74Å; S484-M690 VanDerWaalsContact CB-CE 3.43Å |
| 485 | Q | 85 | Confident | 85.1 | Confident | 35 Ų | 35 | 41 Ų | 41 | 16% | 0.164 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.9 | -42.3 | 166.5 | -74.3 | 178.2 | -40 | 0 | 0 | 111.4 | V481 Q482 M488 M489 M690 T693 | V481-Q485 HydrophobicContact CG1-CG 4.29Å; V481-Q485 WeakPolarHBondContact O-CB 3.2Å; V481-Q485 WeakPolarHBondContact O-CG 3.46Å; V481-Q485 PolarHBondContact O-N 2.94Å; Q482-Q485 PolarHBondContact O-N 3.49Å; Q485-M488 PolarHBondContact O-N 2.88Å; Q485-M489 WeakPolarHBondContact O-CG 3.29Å; Q485-M489 PolarHBondContact O-N 3.26Å; Q485-M690 HydrophobicContact CG-CE 4.23Å; Q485-T693 HydrophobicContact CG-CG2 4.18Å; Q485-T693 PolarHBondContact NE2-OG1 2.99Å; Q485-T693 VanDerWaalsContact NE2-OG1 3.08Å |
| 486 | Q | 85.5 | Confident | 85 | Confident | 60 Ų | 60 | 36.1 Ų | 36.1 | 28% | 0.28 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.8 | -48.1 | 175.5 | -172.8 | 64.7 | 50.3 | 0 | 0 | 110.7 | Q482 M488 M489 D490 | Q482-Q486 WeakPolarHBondContact O-CB 3.48Å; Q482-Q486 PolarHBondContact O-N 3.03Å; Q486-M488 PolarHBondContact O-N 3.49Å; Q486-M489 WeakPolarHBondContact O-CB 3.43Å; Q486-M489 PolarHBondContact O-N 2.89Å; Q486-M489 VanDerWaalsContact O-N 3.16Å; Q486-D490 PolarHBondContact NE2-OD1 3.26Å; Q486-D490 PolarHBondContact NE2-OD2 2.85Å; Q486-D490 PolarHBondContact O-N 3.47Å |
| 487 | Y | 86.9 | Confident | 84.7 | Confident | 64 Ų | 64 | 36.1 Ų | 36.1 | 25% | 0.251 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -57.5 | -43.6 | 173.7 | 173.2 | -89.3 | 0 | 0 | 0 | 113.2 | E405 K409 S483 M489 D490 S491 | E405-Y487 PolarHBondContact OE1-OH 3.47Å; E405-Y487 PolarHBondContact OE2-OH 2.95Å; K409-Y487 HydrophobicContact CD-CD1 3.67Å; K409-Y487 HydrophobicContact CD-CE1 3.64Å; K409-Y487 HydrophobicContact CD-CG 4.46Å; K409-Y487 VanDerWaalsContact NZ-CD2 3.28Å; S483-Y487 WeakPolarHBondContact O-CB 3.44Å; S483-Y487 PolarHBondContact O-N 2.64Å; Y487-M489 VanDerWaalsContact C-N 3.31Å; Y487-M489 PolarHBondContact O-N 3.02Å; Y487-D490 PolarHBondContact O-N 3.27Å; Y487-S491 WeakPolarHBondContact O-CB 3.33Å; Y487-S491 PolarHBondContact O-N 3.37Å; Y487-S491 PolarHBondContact O-OG 3.21Å |
| 488 | M | 86.5 | Confident | 84 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.2 | -39.1 | 176.2 | -70.8 | 171.7 | -156.4 | 0 | 0 | 112.2 | I406 I410 S484 Q485 Q486 M492 M690 F694 L697 | I406-M488 HydrophobicContact CD1-CB 4.4Å; I406-M488 HydrophobicContact CD1-CG 4.07Å; I406-M488 HydrophobicContact CG1-CG 4.06Å; I406-M488 HydrophobicContact CG2-CE 3.92Å; I406-M488 HydrophobicContact CG2-CG 3.98Å; I406-M488 HydrophobicContact CG2-SD 3.88Å; I410-M488 HydrophobicContact CD1-CE 4.17Å; I410-M488 HydrophobicContact CG1-CE 3.66Å; S484-M488 VanDerWaalsContact O-CG 3.29Å; S484-M488 WeakPolarHBondContact O-CG 3.24Å; S484-M488 PolarHBondContact O-N 2.74Å; Q485-M488 PolarHBondContact O-N 2.88Å; Q486-M488 PolarHBondContact O-N 3.49Å; M488-M492 WeakPolarHBondContact O-CG 3.5Å; M488-M492 PolarHBondContact O-N 2.88Å; M488-M690 HydrophobicContact CE-CB 4.49Å; M488-M690 HydrophobicContact CE-CE 3.34Å; M488-M690 HydrophobicContact CE-SD 4.31Å; M488-M690 HydrophobicContact SD-CE 4.37Å; M488-F694 HydrophobicContact SD-CB 4.41Å; M488-L697 HydrophobicContact CB-CD1 3.98Å |
| 489 | M | 84.1 | Confident | 83.1 | Confident | 11 Ų | 11 | 43.8 Ų | 43.8 | 5% | 0.054 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.8 | -52.4 | 174.7 | -69.3 | -175.4 | -68.2 | 0 | 0 | 111.1 | Q485 Q486 Y487 S491 M492 V493 V508 L697 | Q485-M489 WeakPolarHBondContact O-CG 3.29Å; Q485-M489 PolarHBondContact O-N 3.26Å; Q486-M489 WeakPolarHBondContact O-CB 3.43Å; Q486-M489 PolarHBondContact O-N 2.89Å; Q486-M489 VanDerWaalsContact O-N 3.16Å; Y487-M489 VanDerWaalsContact C-N 3.31Å; Y487-M489 PolarHBondContact O-N 3.02Å; M489-S491 VanDerWaalsContact C-N 3.26Å; M489-S491 PolarHBondContact O-N 3.18Å; M489-M492 PolarHBondContact O-N 3.38Å; M489-V493 WeakPolarHBondContact O-CG2 3.47Å; M489-V493 PolarHBondContact O-N 2.79Å; M489-V508 HydrophobicContact SD-CB 3.86Å; M489-V508 HydrophobicContact SD-CG1 4.12Å; M489-V508 HydrophobicContact SD-CG2 4.15Å; M489-L697 HydrophobicContact CG-CD1 4.18Å; M489-L697 HydrophobicContact CG-CD2 4.27Å |
| 490 | D | 85.4 | Confident | 82.2 | Confident | 84 Ų | 84 | 42 Ų | 42 | 45% | 0.449 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.5 | -36.2 | -176.6 | -61.4 | -17.8 | 0 | 0 | 0 | 111.7 | Q486 Y487 P494 | Q486-D490 PolarHBondContact NE2-OD1 3.26Å; Q486-D490 PolarHBondContact NE2-OD2 2.85Å; Q486-D490 PolarHBondContact O-N 3.47Å; Y487-D490 PolarHBondContact O-N 3.27Å; D490-P494 WeakPolarHBondContact O-CD 3.47Å |
| 491 | S | 83.9 | Confident | 81.5 | Confident | 29 Ų | 29 | 44.4 Ų | 44.4 | 20% | 0.203 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.5 | -30.5 | 173.8 | -72.4 | 0 | 0 | 0 | 0 | 114.2 | L402 Y487 M489 | L402-S491 VanDerWaalsContact CD1-O 3.28Å; L402-S491 WeakPolarHBondContact CD1-O 3.37Å; Y487-S491 WeakPolarHBondContact O-CB 3.33Å; Y487-S491 PolarHBondContact O-N 3.37Å; Y487-S491 PolarHBondContact O-OG 3.21Å; M489-S491 VanDerWaalsContact C-N 3.26Å; M489-S491 PolarHBondContact O-N 3.18Å |
| 492 | M | 83.3 | Confident | 80.4 | Confident | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -95.8 | -20.5 | -175.8 | -66.7 | -175.6 | 73.9 | 0 | 0 | 113.8 | L399 L402 I406 M488 M489 P494 L495 F694 L697 V701 | L399-M492 HydrophobicContact CD1-CE 3.79Å; L402-M492 HydrophobicContact CD1-CG 4.24Å; I406-M492 HydrophobicContact CD1-SD 4.24Å; M488-M492 WeakPolarHBondContact O-CG 3.5Å; M488-M492 PolarHBondContact O-N 2.88Å; M489-M492 PolarHBondContact O-N 3.38Å; M492-P494 VanDerWaalsContact C-CD 3.47Å; M492-L495 PolarHBondContact O-N 3.34Å; M492-L495 VanDerWaalsContact O-N 3.14Å; M492-F694 HydrophobicContact SD-CD2 4.21Å; M492-F694 HydrophobicContact SD-CE2 4.1Å; M492-L697 HydrophobicContact CE-CB 3.83Å; M492-L697 HydrophobicContact SD-CB 3.51Å; M492-L697 VanDerWaalsContact SD-CB 3.51Å; M492-L697 HydrophobicContact SD-CD1 4.1Å; M492-L697 HydrophobicContact SD-CG 4.41Å; M492-V701 HydrophobicContact CE-CB 4.49Å; M492-V701 HydrophobicContact CE-CG2 3.61Å |
| 493 | V | 83.7 | Confident | 79.3 | Confident | 38 Ų | 38 | 50 Ų | 50 | 23% | 0.23 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -49.5 | -44.5 | 174.8 | 161.7 | 0 | 0 | 0 | 0 | 113.8 | M489 L495 L496 Q501 V504 | M489-V493 WeakPolarHBondContact O-CG2 3.47Å; M489-V493 PolarHBondContact O-N 2.79Å; V493-L495 PolarHBondContact O-N 2.99Å; V493-L496 PolarHBondContact O-N 2.7Å; V493-Q501 HydrophobicContact CG1-CB 4.48Å; V493-Q501 HydrophobicContact CG1-CG 4.13Å; V493-Q501 WeakPolarHBondContact O-CG 3.33Å; V493-V504 HydrophobicContact CG2-CB 4.36Å; V493-V504 HydrophobicContact CG2-CG1 4.27Å; V493-V504 HydrophobicContact CG2-CG2 4.1Å |
| 494 | P | 84.6 | Confident | 78.2 | Confident | 75 Ų | 75 | 46.5 Ų | 46.5 | 49% | 0.487 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -66.1 | -17.3 | -178.8 | -23.4 | 35.2 | 0 | 0 | 0 | 115.6 | R391 D490 M492 | R391-P494 PolarHBondContact NH2-O 3.33Å; D490-P494 WeakPolarHBondContact O-CD 3.47Å; M492-P494 VanDerWaalsContact C-CD 3.47Å |
| 495 | L | 83.3 | Confident | 77 | Confident | 5 Ų | 5 | 51.7 Ų | 51.7 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -84.7 | -24.7 | 178.5 | -55.7 | -171 | 0 | 0 | 0 | 112.3 | F394 V395 Q398 L399 L402 M492 V493 V701 | F394-L495 HydrophobicContact CE1-CD2 4.17Å; V395-L495 HydrophobicContact CG1-CB 4.49Å; Q398-L495 HydrophobicContact CB-CD1 3.97Å; Q398-L495 HydrophobicContact CB-CD2 3.5Å; Q398-L495 HydrophobicContact CB-CG 4.39Å; Q398-L495 HydrophobicContact CG-CD2 3.99Å; L399-L495 HydrophobicContact CB-CD1 4.36Å; L402-L495 HydrophobicContact CD1-CD1 3.84Å; M492-L495 PolarHBondContact O-N 3.34Å; M492-L495 VanDerWaalsContact O-N 3.14Å; V493-L495 PolarHBondContact O-N 2.99Å; L495-V701 HydrophobicContact CB-CG1 4.44Å; L495-V701 HydrophobicContact CB-CG2 4.41Å |
| 496 | L | 81.3 | Confident | 75.6 | Confident | 6 Ų | 6 | 57.9 Ų | 57.9 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -79.2 | 152 | -178.9 | -63.5 | 173.1 | 0 | 0 | 0 | 111.7 | V493 A500 Q501 V504 Q700 V701 | V493-L496 PolarHBondContact O-N 2.7Å; L496-A500 HydrophobicContact CB-CB 4.25Å; L496-Q501 HydrophobicContact CB-CG 4.34Å; L496-Q501 PolarHBondContact O-NE2 2.66Å; L496-V504 HydrophobicContact CD1-CG2 3.49Å; L496-V504 VanDerWaalsContact CD1-CG2 3.49Å; L496-Q700 HydrophobicContact CD2-CB 3.95Å; L496-V701 HydrophobicContact CD2-CG2 3.9Å; L496-V701 HydrophobicContact CG-CG2 4.48Å |
| 497 | P | 77.8 | Confident | 74.2 | Confident | 48 Ų | 48 | 58.4 Ų | 58.4 | 31% | 0.312 | 33% | 0.326 | S | S | . | . | trans | -67.9 | 154.3 | 175.9 | 29.1 | -34.5 | 0 | 0 | 0 | 110.7 | T499 A500 Q501 T704 | P497-T499 PolarHBondContact O-N 3.02Å; P497-A500 HydrophobicContact CG-CB 3.85Å; P497-A500 PolarHBondContact O-N 3.4Å; P497-Q501 WeakPolarHBondContact O-CG 3.36Å; P497-Q501 PolarHBondContact O-N 3.01Å; P497-T704 VanDerWaalsContact CD-OG1 3.22Å; P497-T704 WeakPolarHBondContact CD-OG1 3.36Å; P497-T704 HydrophobicContact CG-CG2 4.42Å | ||
| 498 | S | 71.8 | Confident | 73 | Confident | 90 Ų | 90 | 56.2 Ų | 56.2 | 63% | 0.629 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -54.1 | -31.5 | -176 | 50.9 | 0 | 0 | 0 | 0 | 114.1 | ||
| 499 | T | 65.9 | Low | 71.6 | Confident | 99 Ų | 99 | 60.3 Ų | 60.3 | 61% | 0.607 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -67.2 | -34.9 | 174.2 | 48.7 | 0 | 0 | 0 | 0 | 113.7 | P497 Q503 | P497-T499 PolarHBondContact O-N 3.02Å; T499-Q503 PolarHBondContact O-NE2 2.63Å |
| 500 | A | 67.7 | Low | 70.4 | Confident | 21 Ų | 21 | 68.4 Ų | 68.4 | 17% | 0.174 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -85.7 | -29.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L496 P497 S502 Q503 V504 | L496-A500 HydrophobicContact CB-CB 4.25Å; P497-A500 HydrophobicContact CG-CB 3.85Å; P497-A500 PolarHBondContact O-N 3.4Å; A500-S502 PolarHBondContact O-N 2.89Å; A500-Q503 WeakPolarHBondContact O-CA 3.14Å; A500-Q503 PolarHBondContact O-N 3.49Å; A500-V504 WeakPolarHBondContact O-CG2 3.45Å; A500-V504 PolarHBondContact O-N 2.75Å |
| 501 | Q | 71.3 | Confident | 69.1 | Low | 78 Ų | 78 | 72.8 Ų | 72.8 | 36% | 0.364 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -53.5 | -40 | 178.3 | -71.1 | 176.3 | 13.3 | 0 | 0 | 112.5 | V493 L496 P497 Q503 | V493-Q501 HydrophobicContact CG1-CB 4.48Å; V493-Q501 HydrophobicContact CG1-CG 4.13Å; V493-Q501 WeakPolarHBondContact O-CG 3.33Å; L496-Q501 HydrophobicContact CB-CG 4.34Å; L496-Q501 PolarHBondContact O-NE2 2.66Å; P497-Q501 WeakPolarHBondContact O-CG 3.36Å; P497-Q501 PolarHBondContact O-N 3.01Å; Q501-Q503 VanDerWaalsContact C-N 3.26Å; Q501-Q503 PolarHBondContact O-N 3.05Å |
| 502 | S | 61.9 | Low | 67.9 | Low | 103 Ų | 103 | 76.9 Ų | 76.9 | 72% | 0.72 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -16 | 176 | -48.4 | 0 | 0 | 0 | 0 | 114.5 | A500 | A500-S502 PolarHBondContact O-N 2.89Š|
| 503 | Q | 62.2 | Low | 67.3 | Low | 114 Ų | 114 | 78.2 Ų | 78.2 | 53% | 0.533 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | -13.8 | -173.1 | -57.8 | -174.4 | 27.4 | 0 | 0 | 113.5 | T499 A500 Q501 H505 M506 L507 | T499-Q503 PolarHBondContact O-NE2 2.63Å; A500-Q503 WeakPolarHBondContact O-CA 3.14Å; A500-Q503 PolarHBondContact O-N 3.49Å; Q501-Q503 VanDerWaalsContact C-N 3.26Å; Q501-Q503 PolarHBondContact O-N 3.05Å; Q503-H505 VanDerWaalsContact C-N 3.27Å; Q503-H505 PolarHBondContact O-N 3.29Å; Q503-M506 WeakPolarHBondContact O-CB 3.27Å; Q503-M506 PolarHBondContact O-N 2.93Å; Q503-L507 HydrophobicContact CB-CD1 4.46Å; Q503-L507 PolarHBondContact O-N 2.85Å |
| 504 | V | 64 | Low | 66.6 | Low | 6 Ų | 6 | 82.5 Ų | 82.5 | 4% | 0.036 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -53 | -42.9 | -178.3 | -173.4 | 0 | 0 | 0 | 0 | 112.2 | V493 L496 A500 M506 L507 V508 L697 | V493-V504 HydrophobicContact CG2-CB 4.36Å; V493-V504 HydrophobicContact CG2-CG1 4.27Å; V493-V504 HydrophobicContact CG2-CG2 4.1Å; L496-V504 HydrophobicContact CD1-CG2 3.49Å; L496-V504 VanDerWaalsContact CD1-CG2 3.49Å; A500-V504 WeakPolarHBondContact O-CG2 3.45Å; A500-V504 PolarHBondContact O-N 2.75Å; V504-M506 PolarHBondContact O-N 2.68Å; V504-L507 PolarHBondContact O-N 2.92Å; V504-L507 VanDerWaalsContact O-N 3.09Å; V504-V508 PolarHBondContact O-N 2.87Å; V504-L697 HydrophobicContact CG1-CD2 4.42Å |
| 505 | H | 60 | Low | 66.3 | Low | 118 Ų | 118 | 79.3 Ų | 79.3 | 55% | 0.546 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.8 | -15.6 | 178.4 | -69.1 | -48 | 0 | 0 | 0 | 114.9 | Q503 | Q503-H505 VanDerWaalsContact C-N 3.27Å; Q503-H505 PolarHBondContact O-N 3.29Å |
| 506 | M | 57.2 | Low | 66.1 | Low | 164 Ų | 164 | 82.4 Ų | 82.4 | 81% | 0.808 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -92.4 | -22.6 | 173.2 | -64.8 | -118 | -70.1 | 0 | 0 | 112.7 | Q503 V504 | Q503-M506 WeakPolarHBondContact O-CB 3.27Å; Q503-M506 PolarHBondContact O-N 2.93Å; V504-M506 PolarHBondContact O-N 2.68Å |
| 507 | L | 55.7 | Low | 66 | Low | 71 Ų | 71 | 83.6 Ų | 83.6 | 37% | 0.372 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -86.2 | -21 | -174.6 | -69.5 | 164.9 | 0 | 0 | 0 | 113.7 | Q503 V504 P509 | Q503-L507 HydrophobicContact CB-CD1 4.46Å; Q503-L507 PolarHBondContact O-N 2.85Å; V504-L507 PolarHBondContact O-N 2.92Å; V504-L507 VanDerWaalsContact O-N 3.09Å; L507-P509 WeakPolarHBondContact O-CD 3.42Å |
| 508 | V | 62 | Low | 65.7 | Low | 18 Ų | 18 | 85.6 Ų | 85.6 | 11% | 0.109 | 46% | 0.46 | C | S | . | . | S | Bend | trans | -113.7 | 94.5 | 172 | -174.9 | 0 | 0 | 0 | 0 | 109 | M489 V504 K510 T693 L697 | M489-V508 HydrophobicContact SD-CB 3.86Å; M489-V508 HydrophobicContact SD-CG1 4.12Å; M489-V508 HydrophobicContact SD-CG2 4.15Å; V504-V508 PolarHBondContact O-N 2.87Å; V508-K510 PolarHBondContact O-N 3.31Å; V508-T693 HydrophobicContact CG1-CG2 4.16Å; V508-L697 HydrophobicContact CG2-CD2 3.96Å |
| 509 | P | 56.9 | Low | 65.8 | Low | 87 Ų | 87 | 81.5 Ų | 81.5 | 57% | 0.565 | 43% | 0.431 | S | S | * | . | trans | -60.6 | 131.8 | 177.8 | -22.5 | 33.2 | 0 | 0 | 0 | 110.9 | L507 K511 | L507-P509 WeakPolarHBondContact O-CD 3.42Å; P509-K511 PolarHBondContact O-N 3.42Å | ||
| 510 | K | 58.1 | Low | 66.1 | Low | 180 Ų | 180 | 80.6 Ų | 80.6 | 78% | 0.783 | 42% | 0.423 | S | S | * | . | trans | -69.6 | 69.7 | 169.3 | -68.7 | -173.8 | 177 | -175.8 | 0 | 110.6 | V508 | V508-K510 PolarHBondContact O-N 3.31Š| ||
| 511 | K | 59.5 | Low | 66.1 | Low | 176 Ų | 176 | 79.8 Ų | 79.8 | 77% | 0.765 | 42% | 0.416 | S | S | * | . | trans | -74.4 | 135 | 172.3 | -124 | -176.6 | 178.4 | -171.2 | 0 | 108.7 | P509 F513 | P509-K511 PolarHBondContact O-N 3.42Å; K511-F513 PolarHBondContact O-N 2.92Å | ||
| 512 | T | 58.4 | Low | 65.8 | Low | 116 Ų | 116 | 78.9 Ų | 78.9 | 71% | 0.712 | 42% | 0.422 | S | S | * | . | trans | -67.5 | 113.4 | 164.5 | 48.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 513 | F | 70.1 | Confident | 66.1 | Low | 29 Ų | 29 | 76.6 Ų | 76.6 | 13% | 0.127 | 41% | 0.409 | C | S | . | . | trans | -70.1 | 135.1 | 169.7 | 170.1 | -113.7 | 0 | 0 | 0 | 108.3 | I477 N478 V481 K511 L515 Q685 V686 E689 | I477-F513 HydrophobicContact CG2-CE1 4.19Å; N478-F513 VanDerWaalsContact CG-O 3.3Å; N478-F513 PolarHBondContact ND2-O 3.26Å; N478-F513 WeakPolarHBondContact OD1-CB 3.41Å; N478-F513 PolarHBondContact OD1-O 3.44Å; V481-F513 HydrophobicContact CG2-CD1 4.32Å; V481-F513 HydrophobicContact CG2-CE1 4.39Å; K511-F513 PolarHBondContact O-N 2.92Å; F513-L515 HydrophobicContact CE1-CD1 3.52Å; F513-L515 HydrophobicContact CZ-CD1 3.42Å; F513-L515 VanDerWaalsContact CZ-CD1 3.42Å; F513-Q685 HydrophobicContact CZ-CB 4.46Å; F513-V686 HydrophobicContact CE1-CG2 3.57Å; F513-V686 HydrophobicContact CZ-CG2 3.68Å; F513-E689 HydrophobicContact CD2-CB 4.42Å; F513-E689 HydrophobicContact CD2-CG 3.79Å; F513-E689 HydrophobicContact CE2-CB 4.26Å; F513-E689 HydrophobicContact CE2-CG 3.63Å | ||
| 514 | D | 68.9 | Low | 66.4 | Low | 129 Ų | 129 | 72.5 Ų | 72.5 | 69% | 0.69 | 39% | 0.39 | S | S | * | . | trans | -126.2 | 118.2 | -178.1 | -164.8 | 20.7 | 0 | 0 | 0 | 108.3 | ||||
| 515 | L | 78.7 | Confident | 66.6 | Low | 8 Ų | 8 | 72.6 Ų | 72.6 | 4% | 0.042 | 39% | 0.391 | C | S | . | . | trans | -85.2 | 122.3 | -170.3 | -159.3 | 81.6 | 0 | 0 | 0 | 109.8 | V421 I477 F513 Y517 C682 Q685 V686 | V421-L515 HydrophobicContact CG2-CD2 4.46Å; I477-L515 HydrophobicContact CD1-CD2 3.71Å; F513-L515 HydrophobicContact CE1-CD1 3.52Å; F513-L515 HydrophobicContact CZ-CD1 3.42Å; F513-L515 VanDerWaalsContact CZ-CD1 3.42Å; L515-Y517 HydrophobicContact CB-CE2 4.04Å; L515-Y517 HydrophobicContact CD2-CD1 4.45Å; L515-Y517 HydrophobicContact CD2-CE1 3.68Å; L515-Y517 HydrophobicContact CD2-CE2 4.16Å; L515-Y517 VanDerWaalsContact CD2-CZ 3.49Å; L515-Y517 WeakPolarHBondContact CD2-OH 3.24Å; L515-Y517 VanDerWaalsContact O-CD2 3.3Å; L515-Y517 WeakPolarHBondContact O-CD2 3.37Å; L515-Y517 WeakPolarHBondContact O-CE2 3.33Å; L515-Y517 PolarHBondContact O-N 3.41Å; L515-C682 HydrophobicContact CD2-CB 3.9Å; L515-C682 HydrophobicContact CG-CB 4.49Å; L515-Q685 HydrophobicContact CD1-CB 4.35Å; L515-V686 HydrophobicContact CD1-CG2 3.98Å | ||
| 516 | S | 78.1 | Confident | 66.8 | Low | 69 Ų | 69 | 71 Ų | 71 | 48% | 0.483 | 39% | 0.394 | S | S | . | . | trans | -88.3 | 108.2 | 179.2 | 65.5 | 0 | 0 | 0 | 0 | 111.3 | D518 Q685 | S516-D518 PolarHBondContact O-N 3.02Å; S516-Q685 PolarHBondContact O-NE2 3.1Å; S516-Q685 VanDerWaalsContact OG-CD 3.25Å; S516-Q685 PolarHBondContact OG-NE2 3.13Å; S516-Q685 PolarHBondContact OG-OE1 3.04Å | ||
| 517 | Y | 79.3 | Confident | 67.6 | Low | 31 Ų | 31 | 68.5 Ų | 68.5 | 12% | 0.122 | 38% | 0.384 | C | S | . | . | trans | -86.5 | 84.2 | 174.5 | -56.4 | -90.8 | 0 | 0 | 0 | 109.7 | V421 L469 A470 C473 L515 L519 | V421-Y517 HydrophobicContact CG2-CE1 4.44Å; L469-Y517 HydrophobicContact CB-CD1 3.87Å; L469-Y517 HydrophobicContact CB-CE1 3.9Å; L469-Y517 HydrophobicContact CB-CG 4.2Å; L469-Y517 HydrophobicContact CD2-CD1 4.14Å; L469-Y517 HydrophobicContact CD2-CE1 4.03Å; L469-Y517 HydrophobicContact CG-CD1 4.43Å; A470-Y517 HydrophobicContact CB-CD2 4.37Å; A470-Y517 HydrophobicContact CB-CE2 3.93Å; C473-Y517 VanDerWaalsContact CB-OH 3.27Å; C473-Y517 WeakPolarHBondContact CB-OH 3.47Å; L515-Y517 HydrophobicContact CB-CE2 4.04Å; L515-Y517 HydrophobicContact CD2-CD1 4.45Å; L515-Y517 HydrophobicContact CD2-CE1 3.68Å; L515-Y517 HydrophobicContact CD2-CE2 4.16Å; L515-Y517 VanDerWaalsContact CD2-CZ 3.49Å; L515-Y517 WeakPolarHBondContact CD2-OH 3.24Å; L515-Y517 VanDerWaalsContact O-CD2 3.3Å; L515-Y517 WeakPolarHBondContact O-CD2 3.37Å; L515-Y517 WeakPolarHBondContact O-CE2 3.33Å; L515-Y517 PolarHBondContact O-N 3.41Å; Y517-L519 PolarHBondContact O-N 3.18Å | ||
| 518 | D | 71.4 | Confident | 68.6 | Low | 90 Ų | 90 | 66.1 Ų | 66.1 | 48% | 0.481 | 37% | 0.37 | S | S | . | . | trans | -76.5 | 107.3 | 170.9 | -170.5 | 4.5 | 0 | 0 | 0 | 109.8 | S516 N520 | S516-D518 PolarHBondContact O-N 3.02Å; D518-N520 PolarHBondContact OD1-N 3.05Å | ||
| 519 | L | 74.4 | Confident | 68.8 | Low | 4 Ų | 4 | 73.8 Ų | 73.8 | 2% | 0.021 | 41% | 0.405 | C | S | . | . | trans | -104.9 | -8.7 | -178.3 | -66 | 173.7 | 0 | 0 | 0 | 112.7 | M425 E462 M465 L469 Y517 C521 I524 T678 | M425-L519 HydrophobicContact CE-CD2 3.78Å; M425-L519 HydrophobicContact SD-CD2 4.16Å; E462-L519 HydrophobicContact CG-CB 4.45Å; M465-L519 HydrophobicContact CB-CD1 3.76Å; L469-L519 HydrophobicContact CD1-CD1 4.2Å; L469-L519 HydrophobicContact CD1-CD2 4.4Å; Y517-L519 PolarHBondContact O-N 3.18Å; L519-C521 PolarHBondContact O-N 3.22Å; L519-C521 PolarHBondContact O-SG 2.66Å; L519-C521 VanDerWaalsContact O-SG 3.37Å; L519-I524 WeakPolarHBondContact O-CD1 2.88Å; L519-T678 HydrophobicContact CD2-CG2 3.94Å | ||
| 520 | N | 71.3 | Confident | 69.4 | Low | 81 Ų | 81 | 72.6 Ų | 72.6 | 43% | 0.433 | 39% | 0.392 | S | S | . | . | trans | 26.7 | 48.8 | 179.5 | -159.9 | -10.6 | 0 | 0 | 0 | 116.2 | E462 D518 A522 A523 I524 | E462-N520 VanDerWaalsContact OE1-CA 3.29Å; E462-N520 WeakPolarHBondContact OE1-CA 3.17Å; E462-N520 PolarHBondContact OE1-N 3.43Å; D518-N520 PolarHBondContact OD1-N 3.05Å; N520-A522 PolarHBondContact O-N 3Å; N520-A522 VanDerWaalsContact O-N 3.13Å; N520-A523 PolarHBondContact O-N 3.46Å; N520-A523 VanDerWaalsContact O-N 3.16Å; N520-A523 WeakPolarHBondContact OD1-CB 3.43Å; N520-I524 WeakPolarHBondContact O-CD1 3.24Å; N520-I524 WeakPolarHBondContact O-CG1 3.47Å; N520-I524 PolarHBondContact O-N 2.75Å | ||
| 521 | C | 68.5 | Low | 70 | Confident | 3 Ų | 3 | 67.5 Ų | 67.5 | 2% | 0.02 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.8 | -27.4 | -167.5 | -67 | 0 | 0 | 0 | 0 | 112.3 | L458 E462 L519 I524 C525 | L458-C521 HydrophobicContact CD2-CB 4.29Å; E462-C521 HydrophobicContact CB-CB 4.05Å; E462-C521 HydrophobicContact CG-CB 4.38Å; E462-C521 PolarHBondContact OE1-N 2.83Å; L519-C521 PolarHBondContact O-N 3.22Å; L519-C521 PolarHBondContact O-SG 2.66Å; L519-C521 VanDerWaalsContact O-SG 3.37Å; C521-I524 PolarHBondContact O-N 2.95Å; C521-C525 WeakPolarHBondContact O-CB 3.48Å; C521-C525 PolarHBondContact O-N 2.91Å |
| 522 | A | 65.5 | Low | 70.5 | Confident | 60 Ų | 60 | 60.2 Ų | 60.2 | 50% | 0.496 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.3 | -38.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | N520 | N520-A522 PolarHBondContact O-N 3Å; N520-A522 VanDerWaalsContact O-N 3.13Å |
| 523 | A | 67.1 | Low | 71.1 | Confident | 54 Ų | 54 | 61.9 Ų | 61.9 | 45% | 0.446 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -75.5 | -39.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | N520 C525 S526 | N520-A523 PolarHBondContact O-N 3.46Å; N520-A523 VanDerWaalsContact O-N 3.16Å; N520-A523 WeakPolarHBondContact OD1-CB 3.43Å; A523-C525 PolarHBondContact O-N 3.28Å; A523-S526 PolarHBondContact O-OG 3.03Å; A523-S526 VanDerWaalsContact O-OG 3.06Å |
| 524 | I | 68.5 | Low | 71 | Confident | 28 Ų | 28 | 62.8 Ų | 62.8 | 14% | 0.144 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -69.4 | -35.7 | -173.7 | -62.2 | 161.3 | 0 | 0 | 0 | 112 | L519 N520 C521 K670 I674 | L519-I524 WeakPolarHBondContact O-CD1 2.88Å; N520-I524 WeakPolarHBondContact O-CD1 3.24Å; N520-I524 WeakPolarHBondContact O-CG1 3.47Å; N520-I524 PolarHBondContact O-N 2.75Å; C521-I524 PolarHBondContact O-N 2.95Å; I524-K670 HydrophobicContact CG2-CB 3.69Å; I524-I674 HydrophobicContact CB-CD1 4.26Å; I524-I674 HydrophobicContact CD1-CD1 3.33Å; I524-I674 HydrophobicContact CD1-CG2 4.35Å; I524-I674 HydrophobicContact CG1-CD1 3.42Å; I524-I674 VanDerWaalsContact CG1-CD1 3.42Å; I524-I674 HydrophobicContact CG2-CD1 3.8Å |
| 525 | C | 68.2 | Low | 70.8 | Confident | 8 Ų | 8 | 62.5 Ų | 62.5 | 5% | 0.054 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 13 | -176.6 | -62.4 | 0 | 0 | 0 | 0 | 114.2 | L458 C521 A523 D527 F528 F666 | L458-C525 HydrophobicContact CD1-CB 4.12Å; L458-C525 HydrophobicContact CD2-CB 3.46Å; L458-C525 VanDerWaalsContact CD2-CB 3.46Å; L458-C525 HydrophobicContact CG-CB 4.41Å; C521-C525 WeakPolarHBondContact O-CB 3.48Å; C521-C525 PolarHBondContact O-N 2.91Å; A523-C525 PolarHBondContact O-N 3.28Å; C525-D527 PolarHBondContact O-N 3.31Å; C525-F528 WeakPolarHBondContact O-CB 3.49Å; C525-F528 PolarHBondContact O-N 3.4Å; C525-F666 HydrophobicContact CB-CE1 4.36Å |
| 526 | S | 65.2 | Low | 70.4 | Confident | 86 Ų | 86 | 62.9 Ų | 62.9 | 60% | 0.601 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -30.7 | -179.2 | 60.2 | 0 | 0 | 0 | 0 | 113.6 | A523 F528 | A523-S526 PolarHBondContact O-OG 3.03Å; A523-S526 VanDerWaalsContact O-OG 3.06Å; S526-F528 PolarHBondContact O-N 3.49Å |
| 527 | D | 72.9 | Confident | 69.9 | Low | 111 Ų | 111 | 62.6 Ų | 62.6 | 59% | 0.594 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | 1.4 | -178 | -61.7 | -24.4 | 0 | 0 | 0 | 113.9 | C525 Q529 F666 | C525-D527 PolarHBondContact O-N 3.31Å; D527-Q529 PolarHBondContact O-N 3.4Å; D527-F666 HydrophobicContact CB-CZ 4.29Å |
| 528 | F | 76.7 | Confident | 69.2 | Low | 21 Ų | 21 | 64.5 Ų | 64.5 | 9% | 0.092 | 35% | 0.352 | C | S | . | . | trans | -70.1 | 97.5 | -173.6 | -178.7 | -113 | 0 | 0 | 0 | 113.3 | K454 C525 S526 E530 Q662 F663 F666 | K454-F528 HydrophobicContact CD-CD1 4.4Å; K454-F528 PolarHBondContact NZ-O 2.98Å; C525-F528 WeakPolarHBondContact O-CB 3.49Å; C525-F528 PolarHBondContact O-N 3.4Å; S526-F528 PolarHBondContact O-N 3.49Å; F528-E530 HydrophobicContact CE1-CB 4.38Å; F528-Q662 HydrophobicContact CE2-CB 4.19Å; F528-Q662 HydrophobicContact CZ-CB 4.06Å; F528-F663 HydrophobicContact CD1-CD2 4.19Å; F528-F663 HydrophobicContact CE1-CB 4.23Å; F528-F663 HydrophobicContact CE1-CD2 4.2Å; F528-F663 HydrophobicContact CE2-CB 4.39Å; F528-F663 HydrophobicContact CZ-CB 3.91Å; F528-F666 HydrophobicContact CB-CD1 3.99Å; F528-F666 HydrophobicContact CB-CE1 3.7Å; F528-F666 HydrophobicContact CB-CZ 4.29Å; F528-F666 HydrophobicContact CD2-CB 3.96Å; F528-F666 AromaticContact CD2-CD1 3.59Å; F528-F666 HydrophobicContact CD2-CD1 3.59Å; F528-F666 HydrophobicContact CD2-CD2 4.4Å; F528-F666 HydrophobicContact CD2-CE1 4.14Å; F528-F666 AromaticContact CD2-CG 3.74Å; F528-F666 HydrophobicContact CD2-CG 3.74Å; F528-F666 HydrophobicContact CE2-CB 4.13Å; F528-F666 HydrophobicContact CE2-CG 4.4Å; F528-F666 HydrophobicContact CG-CD1 4.13Å; F528-F666 HydrophobicContact CG-CE1 4.35Å | ||
| 529 | Q | 67.3 | Low | 68.9 | Low | 179 Ų | 179 | 61 Ų | 61 | 84% | 0.836 | 34% | 0.337 | S | S | * | . | trans | -87.2 | 134.7 | 169.4 | -63.2 | -173.6 | 2.8 | 0 | 0 | 111 | D527 | D527-Q529 PolarHBondContact O-N 3.4Š| ||
| 530 | E | 70 | Confident | 68.1 | Low | 61 Ų | 61 | 67.8 Ų | 67.8 | 29% | 0.285 | 37% | 0.372 | S | S | . | . | trans | -103.4 | 139.4 | -173.2 | 62.4 | -142.7 | 126 | 0 | 0 | 112.4 | L450 K454 F528 I532 L659 | L450-E530 HydrophobicContact CD2-CG 4.37Å; L450-E530 VanDerWaalsContact CD2-OE2 3.22Å; L450-E530 WeakPolarHBondContact CD2-OE2 3.47Å; L450-E530 VanDerWaalsContact CG-OE2 3.23Å; L450-E530 WeakPolarHBondContact CG-OE2 3.31Å; K454-E530 VanDerWaalsContact CE-CD 3.45Å; K454-E530 WeakPolarHBondContact CE-OE1 3.33Å; K454-E530 WeakPolarHBondContact CE-OE2 3.49Å; K454-E530 IonicContact NZ-OE1 2.92Å; K454-E530 PolarHBondContact NZ-OE1 3.5Å; K454-E530 IonicContact NZ-OE2 2.68Å; K454-E530 PolarHBondContact NZ-OE2 3.15Å; K454-E530 VanDerWaalsContact NZ-OE2 3.08Å; F528-E530 HydrophobicContact CE1-CB 4.38Å; E530-I532 HydrophobicContact CB-CD1 4.13Å; E530-I532 HydrophobicContact CB-CG1 3.92Å; E530-I532 HydrophobicContact CG-CD1 3.9Å; E530-I532 HydrophobicContact CG-CG1 3.95Å; E530-L659 HydrophobicContact CB-CD1 4.35Å; E530-L659 VanDerWaalsContact OE2-CD1 3.3Å; E530-L659 WeakPolarHBondContact OE2-CD1 3.34Å | ||
| 531 | N | 70.6 | Confident | 67.6 | Low | 74 Ų | 74 | 70.9 Ų | 70.9 | 40% | 0.396 | 38% | 0.382 | S | S | . | . | trans | -117.4 | 84.6 | 174.9 | -161.5 | -23.2 | 0 | 0 | 0 | 109.8 | Q535 Q662 | N531-Q535 PolarHBondContact ND2-NE2 3.2Å; N531-Q535 VanDerWaalsContact ND2-NE2 3.19Å; N531-Q535 PolarHBondContact OD1-NE2 3.36Å; N531-Q535 VanDerWaalsContact OD1-NE2 3.15Å; N531-Q662 VanDerWaalsContact N-OE1 3.07Å; N531-Q662 PolarHBondContact O-NE2 3Å | ||
| 532 | I | 69.8 | Low | 67.2 | Low | 22 Ų | 22 | 72.4 Ų | 72.4 | 11% | 0.113 | 40% | 0.395 | C | S | . | . | trans | -104 | 5.4 | -177.1 | -33.3 | 179 | 0 | 0 | 0 | 111.4 | F443 L450 E530 R655 L659 | F443-I532 HydrophobicContact CZ-CD1 4.44Å; L450-I532 HydrophobicContact CD1-CD1 4.15Å; L450-I532 HydrophobicContact CD2-CD1 3.94Å; E530-I532 HydrophobicContact CB-CD1 4.13Å; E530-I532 HydrophobicContact CB-CG1 3.92Å; E530-I532 HydrophobicContact CG-CD1 3.9Å; E530-I532 HydrophobicContact CG-CG1 3.95Å; I532-R655 HydrophobicContact CG2-CB 3.49Å; I532-R655 VanDerWaalsContact CG2-CB 3.49Å; I532-R655 HydrophobicContact CG2-CG 3.69Å; I532-L659 HydrophobicContact CD1-CB 4.47Å; I532-L659 HydrophobicContact CD1-CD1 3.65Å; I532-L659 HydrophobicContact CG1-CD1 4.47Å | ||
| 533 | E | 70.8 | Confident | 67 | Low | 151 Ų | 151 | 73 Ų | 73 | 71% | 0.706 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -67.4 | 144.5 | 175.3 | -65.6 | -165.1 | 162.2 | 0 | 0 | 110.9 | Q535 | E533-Q535 PolarHBondContact O-N 3.42Š|
| 534 | F | 66.9 | Low | 66.7 | Low | 49 Ų | 49 | 72.6 Ų | 72.6 | 22% | 0.215 | 38% | 0.382 | C | S | . | . | trans | -70.6 | 104.8 | 178.1 | 175.7 | -103 | 0 | 0 | 0 | 110.3 | F536 Y643 E646 R647 W650 | F534-F536 HydrophobicContact CE1-CB 4.35Å; F534-F536 HydrophobicContact CZ-CB 4.44Å; F534-Y643 HydrophobicContact CE1-CD2 4.49Å; F534-Y643 HydrophobicContact CE1-CE1 4.48Å; F534-Y643 AromaticContact CE1-CE2 3.79Å; F534-Y643 HydrophobicContact CE1-CE2 3.79Å; F534-Y643 AromaticContact CE1-CZ 3.77Å; F534-Y643 HydrophobicContact CZ-CE2 4.45Å; F534-E646 HydrophobicContact CE2-CB 4.12Å; F534-E646 HydrophobicContact CZ-CB 4.17Å; F534-R647 HydrophobicContact CE1-CB 4.12Å; F534-R647 HydrophobicContact CE1-CG 4.18Å; F534-R647 HydrophobicContact CE2-CB 4.05Å; F534-R647 HydrophobicContact CE2-CG 4.43Å; F534-R647 HydrophobicContact CZ-CB 3.67Å; F534-R647 HydrophobicContact CZ-CG 4.14Å; F534-W650 HydrophobicContact CB-CG 4.49Å; F534-W650 HydrophobicContact CD2-CB 3.81Å; F534-W650 AromaticContact CD2-CD1 3.7Å; F534-W650 HydrophobicContact CD2-CD2 4.01Å; F534-W650 AromaticContact CD2-CG 3.58Å; F534-W650 HydrophobicContact CD2-CG 3.58Å; F534-W650 HydrophobicContact CE2-CB 4.14Å; F534-W650 HydrophobicContact CE2-CG 4.34Å; F534-W650 HydrophobicContact CG-CG 4.47Å | ||
| 535 | Q | 66.3 | Low | 66.2 | Low | 122 Ų | 122 | 74.7 Ų | 74.7 | 57% | 0.57 | 39% | 0.39 | S | S | * | . | trans | -106.1 | 119.5 | 171.3 | -59.8 | -174.9 | 26.4 | 0 | 0 | 109.1 | N531 E533 | N531-Q535 PolarHBondContact ND2-NE2 3.2Å; N531-Q535 VanDerWaalsContact ND2-NE2 3.19Å; N531-Q535 PolarHBondContact OD1-NE2 3.36Å; N531-Q535 VanDerWaalsContact OD1-NE2 3.15Å; E533-Q535 PolarHBondContact O-N 3.42Å | ||
| 536 | F | 70 | Confident | 65.8 | Low | 17 Ų | 17 | 84.5 Ų | 84.5 | 8% | 0.075 | 43% | 0.426 | C | S | . | . | trans | -69.5 | 131.9 | 177.3 | -178.8 | -123.5 | 0 | 0 | 0 | 110.6 | F534 L538 G539 Y639 L642 Y643 E646 | F534-F536 HydrophobicContact CE1-CB 4.35Å; F534-F536 HydrophobicContact CZ-CB 4.44Å; F536-L538 HydrophobicContact CD1-CB 4.12Å; F536-L538 HydrophobicContact CE1-CB 3.53Å; F536-L538 HydrophobicContact CZ-CB 3.96Å; F536-L538 HydrophobicContact CZ-CD1 4.43Å; F536-L538 PolarHBondContact O-N 3.14Å; F536-L538 VanDerWaalsContact O-N 3.14Å; F536-G539 PolarHBondContact O-N 3.49Å; F536-Y639 HydrophobicContact CE1-CD2 4.29Å; F536-Y639 AromaticContact CE1-CE1 3.95Å; F536-Y639 HydrophobicContact CE1-CE1 3.95Å; F536-Y639 AromaticContact CE1-CE2 3.66Å; F536-Y639 HydrophobicContact CE1-CE2 3.66Å; F536-Y639 AromaticContact CE1-CZ 3.47Å; F536-Y639 VanDerWaalsContact CE1-CZ 3.47Å; F536-Y639 HydrophobicContact CZ-CE2 4.44Å; F536-L642 HydrophobicContact CE2-CB 4.48Å; F536-L642 HydrophobicContact CZ-CB 4.26Å; F536-Y643 HydrophobicContact CB-CD2 3.93Å; F536-Y643 HydrophobicContact CB-CE2 3.96Å; F536-Y643 AromaticContact CD1-CD2 3.87Å; F536-Y643 HydrophobicContact CD1-CD2 3.87Å; F536-Y643 AromaticContact CD2-CD2 3.66Å; F536-Y643 HydrophobicContact CD2-CD2 3.66Å; F536-Y643 HydrophobicContact CD2-CE2 4.45Å; F536-Y643 HydrophobicContact CD2-CG 4.32Å; F536-Y643 HydrophobicContact CE1-CD2 4.3Å; F536-Y643 HydrophobicContact CE2-CD2 4.17Å; F536-Y643 HydrophobicContact CE2-CG 4.48Å; F536-Y643 AromaticContact CG-CD2 3.54Å; F536-Y643 HydrophobicContact CG-CD2 3.54Å; F536-Y643 HydrophobicContact CG-CE2 4.09Å; F536-Y643 HydrophobicContact CZ-CD2 4.45Å; F536-E646 HydrophobicContact CD2-CB 4.2Å; F536-E646 HydrophobicContact CD2-CG 4.4Å; F536-E646 WeakPolarHBondContact CD2-OE2 3.42Å; F536-E646 HydrophobicContact CE2-CB 4.32Å; F536-E646 HydrophobicContact CE2-CG 4.22Å; F536-E646 WeakPolarHBondContact CE2-OE2 3.47Å | ||
| 537 | S | 66.9 | Low | 65.3 | Low | 63 Ų | 63 | 89.6 Ų | 89.6 | 44% | 0.441 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -27.8 | -171 | 74.3 | 0 | 0 | 0 | 0 | 114.1 | E646 | S537-E646 VanDerWaalsContact CB-OE1 3.23Å; S537-E646 WeakPolarHBondContact CB-OE1 3.09Å; S537-E646 WeakPolarHBondContact CB-OE2 3.34Å; S537-E646 PolarHBondContact N-OE2 3.21Å; S537-E646 PolarHBondContact OG-OE1 3.21Å; S537-E646 PolarHBondContact OG-OE2 3.48Å |
| 538 | L | 65.9 | Low | 64.5 | Low | 71 Ų | 71 | 88.8 Ų | 88.8 | 37% | 0.372 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | 16.9 | 176.9 | -72.5 | 155.6 | 0 | 0 | 0 | 112.5 | F536 L543 Y639 L642 | F536-L538 HydrophobicContact CD1-CB 4.12Å; F536-L538 HydrophobicContact CE1-CB 3.53Å; F536-L538 HydrophobicContact CZ-CB 3.96Å; F536-L538 HydrophobicContact CZ-CD1 4.43Å; F536-L538 PolarHBondContact O-N 3.14Å; F536-L538 VanDerWaalsContact O-N 3.14Å; L538-L543 HydrophobicContact CD2-CD1 4.21Å; L538-Y639 HydrophobicContact CB-CE2 4.14Å; L538-Y639 PolarHBondContact O-OH 3.15Å; L538-L642 HydrophobicContact CD1-CD1 4.49Å |
| 539 | G | 64.3 | Low | 63.3 | Low | 17 Ų | 17 | 89.4 Ų | 89.4 | 18% | 0.175 | 44% | 0.442 | C | S | . | . | trans | -65.8 | 146.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | F536 K541 A542 L543 | F536-G539 PolarHBondContact O-N 3.49Å; G539-K541 PolarHBondContact O-N 3.49Å; G539-K541 VanDerWaalsContact O-N 3.07Å; G539-A542 WeakPolarHBondContact O-CA 3.23Å; G539-A542 PolarHBondContact O-N 3.1Å; G539-L543 PolarHBondContact O-N 3.47Å | ||
| 540 | L | 57.1 | Low | 62.5 | Low | 145 Ų | 145 | 84.3 Ų | 84.3 | 76% | 0.759 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -49.7 | -39.7 | -175.7 | -76.7 | 161.5 | 0 | 0 | 0 | 113.8 | V544 | L540-V544 WeakPolarHBondContact O-CB 3.25Å; L540-V544 VanDerWaalsContact O-CG2 3.25Å; L540-V544 WeakPolarHBondContact O-CG2 3.43Å; L540-V544 PolarHBondContact O-N 3.33Å |
| 541 | K | 60.7 | Low | 61.8 | Low | 147 Ų | 147 | 85.7 Ų | 85.7 | 64% | 0.639 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -63.3 | -43 | 175.9 | -66.6 | -172.1 | 176.5 | -175.9 | 0 | 112.6 | G539 H545 L557 | G539-K541 PolarHBondContact O-N 3.49Å; G539-K541 VanDerWaalsContact O-N 3.07Å; K541-H545 PolarHBondContact O-CD2 2.95Å; K541-H545 PolarHBondContact O-N 2.94Å; K541-H545 VanDerWaalsContact O-N 3.11Å; K541-L557 HydrophobicContact CG-CD2 4.23Å |
| 542 | A | 59.9 | Low | 60.9 | Low | 35 Ų | 35 | 86.3 Ų | 86.3 | 29% | 0.289 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -71.6 | -39.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G539 H545 R546 | G539-A542 WeakPolarHBondContact O-CA 3.23Å; G539-A542 PolarHBondContact O-N 3.1Å; A542-H545 PolarHBondContact O-N 3.34Å; A542-R546 WeakPolarHBondContact O-CB 3.49Å; A542-R546 PolarHBondContact O-N 2.89Å |
| 543 | L | 61.6 | Low | 60.1 | Low | 71 Ų | 71 | 85.3 Ų | 85.3 | 37% | 0.372 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.1 | -41 | 178.8 | -132.2 | 156.5 | 0 | 0 | 0 | 111.5 | L538 G539 R546 Y547 | L538-L543 HydrophobicContact CD2-CD1 4.21Å; G539-L543 PolarHBondContact O-N 3.47Å; L543-R546 PolarHBondContact O-N 3.46Å; L543-Y547 HydrophobicContact CD2-CD2 3.91Å; L543-Y547 HydrophobicContact CD2-CE2 4.27Å; L543-Y547 PolarHBondContact O-N 2.83Å; L543-Y547 VanDerWaalsContact O-N 3.07Å |
| 544 | V | 61.7 | Low | 59.3 | Low | 47 Ų | 47 | 83.5 Ų | 83.5 | 29% | 0.285 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.8 | -44.9 | 171.5 | 169.2 | 0 | 0 | 0 | 0 | 111.6 | L540 R546 Y547 L548 A553 | L540-V544 WeakPolarHBondContact O-CB 3.25Å; L540-V544 VanDerWaalsContact O-CG2 3.25Å; L540-V544 WeakPolarHBondContact O-CG2 3.43Å; L540-V544 PolarHBondContact O-N 3.33Å; V544-R546 VanDerWaalsContact C-N 3.28Å; V544-R546 PolarHBondContact O-N 3.17Å; V544-Y547 PolarHBondContact O-N 3.11Å; V544-L548 WeakPolarHBondContact O-CB 3.21Å; V544-L548 PolarHBondContact O-N 2.97Å; V544-A553 HydrophobicContact CG1-CB 3.97Å |
| 545 | H | 56.8 | Low | 58.6 | Low | 71 Ų | 71 | 89 Ų | 89 | 33% | 0.329 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.2 | -35.2 | 175.5 | -97.8 | -89.2 | 0 | 0 | 0 | 113.2 | K541 A542 G549 A553 | K541-H545 PolarHBondContact O-CD2 2.95Å; K541-H545 PolarHBondContact O-N 2.94Å; K541-H545 VanDerWaalsContact O-N 3.11Å; A542-H545 PolarHBondContact O-N 3.34Å; H545-G549 PolarHBondContact O-N 3.25Å; H545-A553 HydrophobicContact CB-CB 4.43Å |
| 546 | R | 59.5 | Low | 58 | Low | 215 Ų | 215 | 85.1 Ų | 85.1 | 81% | 0.811 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -79.3 | -28.7 | -177.9 | -166.2 | 170.9 | -175.4 | 166.6 | 1.1 | 114.1 | A542 L543 V544 | A542-R546 WeakPolarHBondContact O-CB 3.49Å; A542-R546 PolarHBondContact O-N 2.89Å; L543-R546 PolarHBondContact O-N 3.46Å; V544-R546 VanDerWaalsContact C-N 3.28Å; V544-R546 PolarHBondContact O-N 3.17Å |
| 547 | Y | 56.3 | Low | 57.2 | Low | 192 Ų | 192 | 87.1 Ų | 87.1 | 75% | 0.753 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -100.8 | -26.4 | 180 | -94.7 | -88.2 | 0 | 0 | 0 | 115.3 | L543 V544 | L543-Y547 HydrophobicContact CD2-CD2 3.91Å; L543-Y547 HydrophobicContact CD2-CE2 4.27Å; L543-Y547 PolarHBondContact O-N 2.83Å; L543-Y547 VanDerWaalsContact O-N 3.07Å; V544-Y547 PolarHBondContact O-N 3.11Å |
| 548 | L | 56.2 | Low | 56.6 | Low | 94 Ų | 94 | 91.6 Ų | 91.6 | 49% | 0.492 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -103 | -10.6 | 179.6 | -84.1 | 74 | 0 | 0 | 0 | 114.2 | V544 | V544-L548 WeakPolarHBondContact O-CB 3.21Å; V544-L548 PolarHBondContact O-N 2.97Å |
| 549 | G | 51.2 | Low | 55.8 | Low | 35 Ų | 35 | 95.6 Ų | 95.6 | 36% | 0.361 | 48% | 0.479 | S | S | . | . | trans | 75.8 | 152.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | H545 V551 N552 A553 | H545-G549 PolarHBondContact O-N 3.25Å; G549-V551 PolarHBondContact O-N 3.46Å; G549-N552 PolarHBondContact O-N 3.31Å; G549-A553 VanDerWaalsContact O-CB 3.24Å; G549-A553 WeakPolarHBondContact O-CB 3.29Å; G549-A553 PolarHBondContact O-N 2.92Å | ||
| 550 | S | 50.6 | Low | 55.1 | Low | 71 Ų | 71 | 100.6 Ų | 100.6 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -56.5 | -42.1 | -167.3 | 56.6 | 0 | 0 | 0 | 0 | 114.5 | Q554 | S550-Q554 WeakPolarHBondContact O-CB 3.46Å; S550-Q554 WeakPolarHBondContact O-CG 3.46Å; S550-Q554 PolarHBondContact O-N 3.49Å |
| 551 | V | 53.9 | Low | 54.1 | Low | 91 Ų | 91 | 98.6 Ų | 98.6 | 55% | 0.552 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -68.7 | -40.2 | -175.7 | -176.6 | 0 | 0 | 0 | 0 | 112.2 | G549 R555 | G549-V551 PolarHBondContact O-N 3.46Å; V551-R555 PolarHBondContact O-N 2.89Å |
| 552 | N | 53.3 | Low | 53.2 | Low | 87 Ų | 87 | 96.8 Ų | 96.8 | 47% | 0.465 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -83.5 | -32.2 | 179 | -69.1 | -27.4 | 0 | 0 | 0 | 111.8 | G549 R555 A556 | G549-N552 PolarHBondContact O-N 3.31Å; N552-R555 PolarHBondContact O-N 3.08Å; N552-A556 PolarHBondContact O-N 3.17Å |
| 553 | A | 51.8 | Low | 52 | Low | 0 Ų | 0 | 102 Ų | 102 | 0% | 0 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V544 H545 G549 R555 A556 L557 | V544-A553 HydrophobicContact CG1-CB 3.97Å; H545-A553 HydrophobicContact CB-CB 4.43Å; G549-A553 VanDerWaalsContact O-CB 3.24Å; G549-A553 WeakPolarHBondContact O-CB 3.29Å; G549-A553 PolarHBondContact O-N 2.92Å; A553-R555 VanDerWaalsContact C-N 3.34Å; A553-R555 PolarHBondContact O-N 3.43Å; A553-A556 PolarHBondContact O-N 2.84Å; A553-L557 WeakPolarHBondContact O-CB 3.15Å; A553-L557 WeakPolarHBondContact O-CG 3.19Å; A553-L557 PolarHBondContact O-N 3.21Å |
| 554 | Q | 53.5 | Low | 50.7 | Low | 114 Ų | 114 | 109.2 Ų | 109.2 | 53% | 0.533 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.4 | -34.7 | 173.9 | -77.9 | -177.1 | -8 | 0 | 0 | 113.1 | S550 K558 | S550-Q554 WeakPolarHBondContact O-CB 3.46Å; S550-Q554 WeakPolarHBondContact O-CG 3.46Å; S550-Q554 PolarHBondContact O-N 3.49Å; Q554-K558 WeakPolarHBondContact O-CB 3.36Å; Q554-K558 VanDerWaalsContact O-CG 3.27Å; Q554-K558 WeakPolarHBondContact O-CG 3.43Å; Q554-K558 PolarHBondContact O-N 2.86Å; Q554-K558 VanDerWaalsContact O-N 3.1Å |
| 555 | R | 53.6 | Low | 49.3 | Very low | 165 Ų | 165 | 115 Ų | 115 | 62% | 0.623 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -68.7 | -40.9 | 173.1 | -73.1 | 176.1 | 177.6 | 157.3 | -3.6 | 112.1 | V551 N552 A553 L559 | V551-R555 PolarHBondContact O-N 2.89Å; N552-R555 PolarHBondContact O-N 3.08Å; A553-R555 VanDerWaalsContact C-N 3.34Å; A553-R555 PolarHBondContact O-N 3.43Å; R555-L559 PolarHBondContact O-N 2.75Å |
| 556 | A | 52.6 | Low | 47.8 | Very low | 39 Ų | 39 | 118.9 Ų | 118.9 | 32% | 0.322 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.3 | -39.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | N552 A553 L559 | N552-A556 PolarHBondContact O-N 3.17Å; A553-A556 PolarHBondContact O-N 2.84Å; A556-L559 PolarHBondContact O-N 2.93Å |
| 557 | L | 53.8 | Low | 46.2 | Very low | 60 Ų | 60 | 114.8 Ų | 114.8 | 31% | 0.314 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -71.2 | -35.3 | 177 | -75 | 163.1 | 0 | 0 | 0 | 112.5 | K541 A553 L559 V560 D561 | K541-L557 HydrophobicContact CG-CD2 4.23Å; A553-L557 WeakPolarHBondContact O-CB 3.15Å; A553-L557 WeakPolarHBondContact O-CG 3.19Å; A553-L557 PolarHBondContact O-N 3.21Å; L557-L559 PolarHBondContact O-N 2.95Å; L557-V560 PolarHBondContact O-N 3.21Å; L557-V560 VanDerWaalsContact O-N 3.15Å; L557-D561 PolarHBondContact O-N 3.13Å |
| 558 | K | 54.6 | Low | 44.8 | Very low | 157 Ų | 157 | 117 Ų | 117 | 68% | 0.683 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.7 | -17.3 | 173.2 | -80.5 | 179.3 | 176.2 | -174.9 | 0 | 114.6 | Q554 V560 | Q554-K558 WeakPolarHBondContact O-CB 3.36Å; Q554-K558 VanDerWaalsContact O-CG 3.27Å; Q554-K558 WeakPolarHBondContact O-CG 3.43Å; Q554-K558 PolarHBondContact O-N 2.86Å; Q554-K558 VanDerWaalsContact O-N 3.1Å; K558-V560 VanDerWaalsContact C-N 3.34Å |
| 559 | L | 49.8 | Very low | 43.4 | Very low | 155 Ų | 155 | 117.4 Ų | 117.4 | 81% | 0.812 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -8 | 175.6 | -96.8 | 157.1 | 0 | 0 | 0 | 113.6 | R555 A556 L557 | R555-L559 PolarHBondContact O-N 2.75Å; A556-L559 PolarHBondContact O-N 2.93Å; L557-L559 PolarHBondContact O-N 2.95Å |
| 560 | V | 48.3 | Very low | 42.4 | Very low | 122 Ų | 122 | 122 Ų | 122 | 74% | 0.739 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.6 | -17.4 | -173.1 | 179.8 | 0 | 0 | 0 | 0 | 112.7 | L557 K558 | L557-V560 PolarHBondContact O-N 3.21Å; L557-V560 VanDerWaalsContact O-N 3.15Å; K558-V560 VanDerWaalsContact C-N 3.34Å |
| 561 | D | 36.7 | Very low | 41.5 | Very low | 103 Ų | 103 | 124.3 Ų | 124.3 | 55% | 0.551 | 65% | 0.652 | S | S | * | * | trans | -146.8 | 108.3 | -173.9 | -149.2 | -21.8 | 0 | 0 | 0 | 111.3 | L557 N563 | L557-D561 PolarHBondContact O-N 3.13Å; D561-N563 PolarHBondContact O-N 2.97Å | ||
| 562 | P | 41.5 | Very low | 40.3 | Very low | 108 Ų | 108 | 125.8 Ų | 125.8 | 70% | 0.701 | 66% | 0.663 | S | S | * | * | trans | -80.8 | -11.7 | -170.7 | -9.6 | 25.1 | 0 | 0 | 0 | 115.4 | Y564 | P562-Y564 PolarHBondContact O-N 3.15Š| ||
| 563 | N | 35.3 | Very low | 39.3 | Very low | 146 Ų | 146 | 128 Ų | 128 | 78% | 0.781 | 68% | 0.679 | S | S | * | * | trans | -92.4 | 19.6 | -162.5 | -81.5 | -14.9 | 0 | 0 | 0 | 116.1 | D561 | D561-N563 PolarHBondContact O-N 2.97Š| ||
| 564 | Y | 34.5 | Very low | 38.2 | Very low | 221 Ų | 221 | 134.1 Ų | 134.1 | 87% | 0.867 | 72% | 0.717 | S | S | * | * | trans | -120.4 | 83.5 | 173.1 | -104 | -91.9 | 0 | 0 | 0 | 111.9 | P562 | P562-Y564 PolarHBondContact O-N 3.15Š| ||
| 565 | Q | 30.7 | Very low | 37.2 | Very low | 170 Ų | 170 | 134.7 Ų | 134.7 | 79% | 0.794 | 73% | 0.731 | S | S | * | * | trans | -125.1 | 130 | 175.8 | -163 | 162.3 | 4.2 | 0 | 0 | 109.6 | ||||
| 566 | N | 25.7 | Very low | 36 | Very low | 151 Ų | 151 | 132.7 Ų | 132.7 | 81% | 0.807 | 74% | 0.742 | S | S | * | * | trans | 105.7 | 125.4 | -165.2 | -60.6 | -23.8 | 0 | 0 | 0 | 111.1 | ||||
| 567 | C | 25.7 | Very low | 34.7 | Very low | 130 Ų | 130 | 136 Ų | 136 | 88% | 0.878 | 76% | 0.763 | S | S | * | * | cis | -125.7 | 170.5 | 14.8 | -72.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 568 | R | 27.6 | Very low | 33.5 | Very low | 238 Ų | 238 | 142 Ų | 142 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | trans | -78.9 | 153.6 | -179.2 | -108.6 | 171.7 | 167.4 | 151.4 | -7.6 | 112.8 | ||||
| 569 | A | 26.3 | Very low | 32.6 | Very low | 102 Ų | 102 | 139.9 Ų | 139.9 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | -78.4 | 144.6 | 156.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 570 | V | 30.1 | Very low | 32.1 | Very low | 132 Ų | 132 | 137.8 Ų | 137.8 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | trans | -139.2 | 142 | 171.9 | -179.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 571 | V | 32.5 | Very low | 31 | Very low | 119 Ų | 119 | 136.8 Ų | 136.8 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | trans | -81.8 | 144.2 | -179 | 176.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 572 | P | 29.4 | Very low | 30.6 | Very low | 123 Ų | 123 | 139.7 Ų | 139.7 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | trans | -77.1 | 131.3 | 173.3 | 30.3 | -32.4 | 0 | 0 | 0 | 112 | ||||
| 573 | V | 31.7 | Very low | 30 | Very low | 132 Ų | 132 | 139.5 Ų | 139.5 | 80% | 0.8 | 81% | 0.807 | S | S | * | * | trans | -125 | 145.8 | 161.3 | 176.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 574 | T | 28.8 | Very low | 29.4 | Very low | 129 Ų | 129 | 137 Ų | 137 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | -64.7 | 148.6 | -172.6 | 36.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 575 | P | 32.1 | Very low | 30 | Very low | 127 Ų | 127 | 132.3 Ų | 132.3 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | -91.7 | 141.4 | 173.8 | 35.2 | -32 | 0 | 0 | 0 | 113.1 | ||||
| 576 | S | 27.6 | Very low | 30.5 | Very low | 122 Ų | 122 | 128.8 Ų | 128.8 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | -117.6 | 169.9 | 152.6 | 57.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 577 | S | 26.8 | Very low | 30.5 | Very low | 109 Ų | 109 | 128.6 Ų | 128.6 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | -103.6 | 153.6 | -150.6 | 47.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 578 | E | 27.2 | Very low | 30.5 | Very low | 187 Ų | 187 | 131.1 Ų | 131.1 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | 88.6 | 153.8 | 150.9 | -79.7 | -170.9 | 171.5 | 0 | 0 | 121.6 | ||||
| 579 | P | 35.8 | Very low | 30.4 | Very low | 111 Ų | 111 | 129.3 Ų | 129.3 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | trans | -134.1 | -150.7 | -134.5 | 41.8 | -20.8 | 0 | 0 | 0 | 114.1 | ||||
| 580 | P | 40.7 | Very low | 30.4 | Very low | 111 Ų | 111 | 129.1 Ų | 129.1 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | -120.7 | 177.2 | -56.3 | 29 | -10.8 | 0 | 0 | 0 | 113.2 | |||||
| 581 | S | 25.3 | Very low | 30.4 | Very low | 102 Ų | 102 | 130.4 Ų | 130.4 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | 161.1 | 124.7 | 120.4 | -70.6 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 582 | I | 27.7 | Very low | 30.3 | Very low | 164 Ų | 164 | 132 Ų | 132 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | trans | 42.8 | 116 | 133.7 | -49.1 | 169.9 | 0 | 0 | 0 | 121.3 | ||||
| 583 | A | 27.8 | Very low | 30.5 | Very low | 103 Ų | 103 | 130.5 Ų | 130.5 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | 169.2 | 154.6 | 122.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 584 | A | 24 | Very low | 30.7 | Very low | 93 Ų | 93 | 132.8 Ų | 132.8 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | -155.2 | -176.2 | 176 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 585 | P | 45.7 | Very low | 31.3 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | cis | -115.6 | -119.8 | -26.8 | 26.5 | -1.8 | 0 | 0 | 0 | 108.3 | ||||
| 586 | P | 41.9 | Very low | 31.6 | Very low | 97 Ų | 97 | 132.5 Ų | 132.5 | 63% | 0.63 | 77% | 0.765 | S | S | * | * | cis | -132.2 | -178.1 | -38.3 | 41.6 | -24.7 | 0 | 0 | 0 | 116.1 | ||||
| 587 | N | 25.8 | Very low | 32.3 | Very low | 146 Ų | 146 | 131.9 Ų | 131.9 | 78% | 0.781 | 75% | 0.752 | S | S | * | * | trans | 67.4 | 151.8 | 159.8 | -63.6 | -13.7 | 0 | 0 | 0 | 118.7 | ||||
| 588 | E | 25.9 | Very low | 33 | Very low | 183 Ų | 183 | 134.1 Ų | 134.1 | 86% | 0.855 | 75% | 0.752 | S | S | * | * | cis | -126.9 | 153.3 | 5.8 | -69.3 | 176.8 | 128.1 | 0 | 0 | 109.9 | ||||
| 589 | K | 26.4 | Very low | 33.9 | Very low | 200 Ų | 200 | 130.6 Ų | 130.6 | 87% | 0.87 | 74% | 0.738 | S | S | * | * | 71.7 | 95.8 | 51.3 | -84.6 | -165 | 179.6 | -178 | 0 | 117.6 | |||||
| 590 | A | 24.8 | Very low | 34.2 | Very low | 99 Ų | 99 | 127.5 Ų | 127.5 | 82% | 0.818 | 72% | 0.722 | S | S | * | * | trans | -156.5 | 110.9 | 141.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 591 | L | 30.8 | Very low | 34.1 | Very low | 159 Ų | 159 | 128.1 Ų | 128.1 | 83% | 0.832 | 72% | 0.716 | S | S | * | * | 66.5 | 102 | 75.7 | -166 | 76.5 | 0 | 0 | 0 | 113 | |||||
| 592 | M | 30.3 | Very low | 34.8 | Very low | 153 Ų | 153 | 126.6 Ų | 126.6 | 75% | 0.754 | 71% | 0.71 | S | S | * | * | trans | -127.9 | 153.5 | 154.7 | -84.1 | -155.4 | 77.3 | 0 | 0 | 110.5 | D596 | M592-D596 WeakPolarHBondContact CE-OD2 3.16Š| ||
| 593 | T | 32.8 | Very low | 35.6 | Very low | 90 Ų | 90 | 122.9 Ų | 122.9 | 55% | 0.552 | 70% | 0.695 | S | S | * | * | trans | -104 | 165.7 | -152.8 | 35.1 | 0 | 0 | 0 | 0 | 113.7 | E595 | T593-E595 PolarHBondContact O-N 3.47Š| ||
| 594 | Q | 37 | Very low | 36.3 | Very low | 180 Ų | 180 | 123.4 Ų | 123.4 | 84% | 0.841 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -1.9 | -169 | -162.7 | 169.1 | -69.3 | 0 | 0 | 115.4 | ||
| 595 | E | 40.7 | Very low | 37.1 | Very low | 153 Ų | 153 | 125.8 Ų | 125.8 | 72% | 0.715 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | -29.5 | -171.5 | -68.8 | 179.4 | 130.2 | 0 | 0 | 113.9 | T593 L597 M598 | T593-E595 PolarHBondContact O-N 3.47Å; E595-L597 VanDerWaalsContact C-N 3.27Å; E595-L597 PolarHBondContact O-N 2.59Å; E595-M598 PolarHBondContact O-N 2.77Å |
| 596 | D | 38.8 | Very low | 36.7 | Very low | 97 Ų | 97 | 123.4 Ų | 123.4 | 52% | 0.519 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -68 | -27.1 | 175.1 | -78.8 | -32.3 | 0 | 0 | 0 | 112.7 | M592 M598 I599 A600 | M592-D596 WeakPolarHBondContact CE-OD2 3.16Å; D596-M598 VanDerWaalsContact C-N 3.27Å; D596-M598 PolarHBondContact O-N 3.17Å; D596-I599 PolarHBondContact O-N 2.93Å; D596-A600 WeakPolarHBondContact O-CB 3.44Å; D596-A600 PolarHBondContact O-N 3.15Å; D596-A600 VanDerWaalsContact O-N 3.08Å |
| 597 | L | 43.1 | Very low | 36.6 | Very low | 110 Ų | 110 | 122.4 Ų | 122.4 | 58% | 0.576 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -63.1 | -34.2 | 177.7 | -165.6 | 77.4 | 0 | 0 | 0 | 112 | E595 M601 | E595-L597 VanDerWaalsContact C-N 3.27Å; E595-L597 PolarHBondContact O-N 2.59Å; L597-M601 HydrophobicContact CD2-CE 4.37Å; L597-M601 HydrophobicContact CG-CE 4.36Å; L597-M601 WeakPolarHBondContact O-CG 3.47Å; L597-M601 PolarHBondContact O-N 2.86Å; L597-M601 VanDerWaalsContact O-N 3.11Å |
| 598 | M | 40.9 | Very low | 37.5 | Very low | 155 Ų | 155 | 121.3 Ų | 121.3 | 76% | 0.764 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -76.7 | -34.5 | -175.5 | -140.8 | 175.3 | -141.9 | 0 | 0 | 111.9 | E595 D596 M601 A602 | E595-M598 PolarHBondContact O-N 2.77Å; D596-M598 VanDerWaalsContact C-N 3.27Å; D596-M598 PolarHBondContact O-N 3.17Å; M598-M601 PolarHBondContact O-N 2.85Å; M598-A602 PolarHBondContact O-N 3.26Å |
| 599 | I | 46.6 | Very low | 38.1 | Very low | 114 Ų | 114 | 118.9 Ų | 118.9 | 59% | 0.585 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -75.2 | -33.7 | 175.8 | -59.4 | 177 | 0 | 0 | 0 | 110.7 | D596 A602 T603 | D596-I599 PolarHBondContact O-N 2.93Å; I599-A602 PolarHBondContact O-N 2.91Å; I599-T603 PolarHBondContact O-N 2.83Å; I599-T603 PolarHBondContact O-OG1 3.48Å |
| 600 | A | 41.8 | Very low | 38.9 | Very low | 45 Ų | 45 | 112.4 Ų | 112.4 | 37% | 0.372 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -67.3 | -30.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | D596 T603 N604 | D596-A600 WeakPolarHBondContact O-CB 3.44Å; D596-A600 PolarHBondContact O-N 3.15Å; D596-A600 VanDerWaalsContact O-N 3.08Å; A600-T603 PolarHBondContact O-OG1 3.25Å; A600-N604 PolarHBondContact O-ND2 3.4Å |
| 601 | M | 39.2 | Very low | 39.9 | Very low | 124 Ų | 124 | 119.4 Ų | 119.4 | 61% | 0.611 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -73.7 | -40.5 | 173.3 | -75.9 | -173.3 | 179.1 | 0 | 0 | 112.5 | L597 M598 T603 N604 | L597-M601 HydrophobicContact CD2-CE 4.37Å; L597-M601 HydrophobicContact CG-CE 4.36Å; L597-M601 WeakPolarHBondContact O-CG 3.47Å; L597-M601 PolarHBondContact O-N 2.86Å; L597-M601 VanDerWaalsContact O-N 3.11Å; M598-M601 PolarHBondContact O-N 2.85Å; M601-T603 VanDerWaalsContact C-N 3.35Å; M601-T603 PolarHBondContact O-N 2.95Å; M601-N604 PolarHBondContact O-N 3.38Å |
| 602 | A | 38.1 | Very low | 40.8 | Very low | 70 Ų | 70 | 117 Ų | 117 | 58% | 0.579 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -66.5 | -34.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | M598 I599 | M598-A602 PolarHBondContact O-N 3.26Å; I599-A602 PolarHBondContact O-N 2.91Å |
| 603 | T | 45.3 | Very low | 41.5 | Very low | 86 Ų | 86 | 112.1 Ų | 112.1 | 53% | 0.528 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -77 | -25.5 | 179.6 | 43.2 | 0 | 0 | 0 | 0 | 113.7 | I599 A600 M601 L605 A606 | I599-T603 PolarHBondContact O-N 2.83Å; I599-T603 PolarHBondContact O-OG1 3.48Å; A600-T603 PolarHBondContact O-OG1 3.25Å; M601-T603 VanDerWaalsContact C-N 3.35Å; M601-T603 PolarHBondContact O-N 2.95Å; T603-L605 VanDerWaalsContact C-N 3.35Å; T603-L605 PolarHBondContact O-N 3.36Å; T603-A606 PolarHBondContact O-N 3.2Å |
| 604 | N | 42.3 | Very low | 42.2 | Very low | 115 Ų | 115 | 114.2 Ų | 114.2 | 62% | 0.615 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -75.8 | -14.2 | 179.2 | -87.5 | -55.3 | 0 | 0 | 0 | 115.2 | A600 M601 | A600-N604 PolarHBondContact O-ND2 3.4Å; M601-N604 PolarHBondContact O-N 3.38Å |
| 605 | L | 40 | Very low | 42.9 | Very low | 142 Ų | 142 | 107.4 Ų | 107.4 | 74% | 0.743 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -13.7 | 171.4 | -72.3 | 172.6 | 0 | 0 | 0 | 113.3 | T603 | T603-L605 VanDerWaalsContact C-N 3.35Å; T603-L605 PolarHBondContact O-N 3.36Å |
| 606 | A | 37.8 | Very low | 43.7 | Very low | 73 Ų | 73 | 106.4 Ų | 106.4 | 60% | 0.603 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -89.2 | -10.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | T603 T609 | T603-A606 PolarHBondContact O-N 3.2Å; A606-T609 PolarHBondContact O-OG1 2.85Å |
| 607 | S | 41.3 | Very low | 44.6 | Very low | 76 Ų | 76 | 108 Ų | 108 | 53% | 0.531 | 61% | 0.606 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93 | 5.4 | -174.2 | 58.6 | 0 | 0 | 0 | 0 | 115.2 | T609 | S607-T609 PolarHBondContact O-N 2.95Å; S607-T609 VanDerWaalsContact O-N 3.16Å |
| 608 | I | 43.8 | Very low | 45.3 | Very low | 123 Ų | 123 | 106.9 Ų | 106.9 | 63% | 0.631 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | -6.7 | 177.4 | -70 | 176.6 | 0 | 0 | 0 | 112.8 | S610 | I608-S610 PolarHBondContact O-N 2.78Š|
| 609 | T | 37.9 | Very low | 46.3 | Very low | 133 Ų | 133 | 104 Ų | 104 | 82% | 0.816 | 59% | 0.594 | S | S | * | * | trans | -78.3 | 40 | 175 | 47.5 | 0 | 0 | 0 | 0 | 114.2 | A606 S607 | A606-T609 PolarHBondContact O-OG1 2.85Å; S607-T609 PolarHBondContact O-N 2.95Å; S607-T609 VanDerWaalsContact O-N 3.16Å | ||
| 610 | S | 43.9 | Very low | 46.8 | Very low | 64 Ų | 64 | 100.3 Ų | 100.3 | 45% | 0.448 | 59% | 0.585 | S | S | . | * | trans | -89.1 | 128.8 | 171.8 | -179.1 | 0 | 0 | 0 | 0 | 111.9 | I608 T612 S613 | I608-S610 PolarHBondContact O-N 2.78Å; S610-T612 PolarHBondContact O-N 2.82Å; S610-T612 PolarHBondContact OG-OG1 3.31Å; S610-S613 PolarHBondContact O-N 2.78Å; S610-S613 VanDerWaalsContact O-N 3.11Å; S610-S613 PolarHBondContact O-OG 3.04Å | ||
| 611 | R | 46.5 | Very low | 47.7 | Very low | 246 Ų | 246 | 100.1 Ų | 100.1 | 93% | 0.928 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | -10.5 | -175.1 | -80.1 | 177.6 | 162.4 | 173.7 | -6.3 | 115.5 | ||
| 612 | T | 48.6 | Very low | 48.8 | Very low | 108 Ų | 108 | 98.6 Ų | 98.6 | 66% | 0.663 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -21.8 | 175.9 | 42.2 | 0 | 0 | 0 | 0 | 114.4 | S610 G615 | S610-T612 PolarHBondContact O-N 2.82Å; S610-T612 PolarHBondContact OG-OG1 3.31Å; T612-G615 PolarHBondContact O-N 3.07Å |
| 613 | S | 45.6 | Very low | 49.9 | Very low | 51 Ų | 51 | 98.3 Ų | 98.3 | 36% | 0.357 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -70.8 | -38.6 | 178.3 | 63.5 | 0 | 0 | 0 | 0 | 112.2 | S610 G615 I616 I617 | S610-S613 PolarHBondContact O-N 2.78Å; S610-S613 VanDerWaalsContact O-N 3.11Å; S610-S613 PolarHBondContact O-OG 3.04Å; S613-G615 PolarHBondContact O-N 2.92Å; S613-I616 PolarHBondContact O-N 2.64Å; S613-I617 PolarHBondContact O-N 3.29Å |
| 614 | M | 48.1 | Very low | 50.7 | Low | 134 Ų | 134 | 100.7 Ų | 100.7 | 66% | 0.66 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -58.2 | -34.3 | 171.8 | -85.4 | -107.9 | -82.2 | 0 | 0 | 112.8 | I616 I617 V618 | M614-I616 VanDerWaalsContact C-N 3.33Å; M614-I616 PolarHBondContact O-N 2.77Å; M614-I617 PolarHBondContact O-N 3.28Å; M614-V618 WeakPolarHBondContact O-CB 3.21Å; M614-V618 VanDerWaalsContact O-CG2 3.3Å; M614-V618 WeakPolarHBondContact O-CG2 3.45Å; M614-V618 PolarHBondContact O-N 2.85Å |
| 615 | G | 51.6 | Low | 51.9 | Low | 36 Ų | 36 | 104.3 Ų | 104.3 | 37% | 0.371 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.4 | -39.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | T612 S613 V619 | T612-G615 PolarHBondContact O-N 3.07Å; S613-G615 PolarHBondContact O-N 2.92Å; G615-V619 VanDerWaalsContact O-CB 3.3Å; G615-V619 WeakPolarHBondContact O-CB 3.38Å; G615-V619 VanDerWaalsContact O-CG2 3.24Å; G615-V619 WeakPolarHBondContact O-CG2 3.5Å; G615-V619 PolarHBondContact O-N 3.42Å |
| 616 | I | 56.1 | Low | 52.9 | Low | 133 Ų | 133 | 101.3 Ų | 101.3 | 68% | 0.682 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -71.6 | -38.9 | 179.8 | -62.3 | 173.9 | 0 | 0 | 0 | 110.9 | S613 M614 G620 | S613-I616 PolarHBondContact O-N 2.64Å; M614-I616 VanDerWaalsContact C-N 3.33Å; M614-I616 PolarHBondContact O-N 2.77Å; I616-G620 WeakPolarHBondContact O-CA 3.48Å; I616-G620 PolarHBondContact O-N 2.91Å |
| 617 | I | 58.9 | Low | 54 | Low | 129 Ų | 129 | 101.5 Ų | 101.5 | 66% | 0.662 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -69.6 | -40.9 | 177.5 | -60.9 | 173.5 | 0 | 0 | 0 | 110.9 | S613 M614 G621 | S613-I617 PolarHBondContact O-N 3.29Å; M614-I617 PolarHBondContact O-N 3.28Å; I617-G621 PolarHBondContact O-N 2.99Å |
| 618 | V | 57.8 | Low | 55.2 | Low | 87 Ų | 87 | 99.3 Ų | 99.3 | 53% | 0.527 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -71.2 | -46 | 178.4 | 173.2 | 0 | 0 | 0 | 0 | 111.6 | M614 G620 G621 V622 | M614-V618 WeakPolarHBondContact O-CB 3.21Å; M614-V618 VanDerWaalsContact O-CG2 3.3Å; M614-V618 WeakPolarHBondContact O-CG2 3.45Å; M614-V618 PolarHBondContact O-N 2.85Å; V618-G620 VanDerWaalsContact C-N 3.34Å; V618-G620 PolarHBondContact O-N 3.18Å; V618-G621 PolarHBondContact O-N 3.4Å; V618-V622 HydrophobicContact CG1-CG2 4.41Å; V618-V622 WeakPolarHBondContact O-CB 3.49Å; V618-V622 VanDerWaalsContact O-CG2 3.29Å; V618-V622 WeakPolarHBondContact O-CG2 3.44Å; V618-V622 PolarHBondContact O-N 3.16Å |
| 619 | V | 60.5 | Low | 56.5 | Low | 94 Ų | 94 | 101.6 Ų | 101.6 | 57% | 0.57 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64 | -41.7 | 175.3 | 172.8 | 0 | 0 | 0 | 0 | 110.6 | G615 G621 V622 V623 | G615-V619 VanDerWaalsContact O-CB 3.3Å; G615-V619 WeakPolarHBondContact O-CB 3.38Å; G615-V619 VanDerWaalsContact O-CG2 3.24Å; G615-V619 WeakPolarHBondContact O-CG2 3.5Å; G615-V619 PolarHBondContact O-N 3.42Å; V619-G621 PolarHBondContact O-N 3.15Å; V619-V622 PolarHBondContact O-N 3.16Å; V619-V623 HydrophobicContact CG1-CG2 4.27Å; V619-V623 WeakPolarHBondContact O-CB 3.38Å; V619-V623 VanDerWaalsContact O-CG2 3.27Å; V619-V623 WeakPolarHBondContact O-CG2 3.36Å; V619-V623 PolarHBondContact O-N 3.03Å |
| 620 | G | 58.3 | Low | 58.2 | Low | 38 Ų | 38 | 105.3 Ų | 105.3 | 39% | 0.392 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -56.8 | -49.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | I616 V618 V623 W624 | I616-G620 WeakPolarHBondContact O-CA 3.48Å; I616-G620 PolarHBondContact O-N 2.91Å; V618-G620 VanDerWaalsContact C-N 3.34Å; V618-G620 PolarHBondContact O-N 3.18Å; G620-V623 PolarHBondContact O-N 3.13Å; G620-W624 VanDerWaalsContact O-CB 3.26Å; G620-W624 WeakPolarHBondContact O-CB 3.26Å; G620-W624 PolarHBondContact O-N 2.86Å |
| 621 | G | 60.4 | Low | 59.6 | Low | 40 Ų | 40 | 105.1 Ų | 105.1 | 41% | 0.412 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.5 | -34.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | I617 V618 V619 W624 K625 | I617-G621 PolarHBondContact O-N 2.99Å; V618-G621 PolarHBondContact O-N 3.4Å; V619-G621 PolarHBondContact O-N 3.15Å; G621-W624 WeakPolarHBondContact O-CB 2.99Å; G621-K625 PolarHBondContact O-N 3.49Å; G621-K625 VanDerWaalsContact O-N 3.13Å |
| 622 | V | 62 | Low | 60.8 | Low | 92 Ų | 92 | 95.3 Ų | 95.3 | 56% | 0.558 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -71.2 | -44.6 | 175.7 | 170.5 | 0 | 0 | 0 | 0 | 111 | V618 V619 W624 K625 A626 | V618-V622 HydrophobicContact CG1-CG2 4.41Å; V618-V622 WeakPolarHBondContact O-CB 3.49Å; V618-V622 VanDerWaalsContact O-CG2 3.29Å; V618-V622 WeakPolarHBondContact O-CG2 3.44Å; V618-V622 PolarHBondContact O-N 3.16Å; V619-V622 PolarHBondContact O-N 3.16Å; V622-W624 VanDerWaalsContact C-N 3.29Å; V622-W624 PolarHBondContact O-N 3.47Å; V622-K625 PolarHBondContact O-N 3.22Å; V622-A626 VanDerWaalsContact O-CB 3.28Å; V622-A626 WeakPolarHBondContact O-CB 3.2Å; V622-A626 PolarHBondContact O-N 2.89Å |
| 623 | V | 61.2 | Low | 62 | Low | 65 Ų | 65 | 92.1 Ų | 92.1 | 39% | 0.394 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.8 | -39.5 | 174.6 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | V619 G620 K625 A626 V627 I632 | V619-V623 HydrophobicContact CG1-CG2 4.27Å; V619-V623 WeakPolarHBondContact O-CB 3.38Å; V619-V623 VanDerWaalsContact O-CG2 3.27Å; V619-V623 WeakPolarHBondContact O-CG2 3.36Å; V619-V623 PolarHBondContact O-N 3.03Å; G620-V623 PolarHBondContact O-N 3.13Å; V623-K625 VanDerWaalsContact C-N 3.34Å; V623-K625 PolarHBondContact O-N 2.83Å; V623-A626 PolarHBondContact O-N 3.12Å; V623-V627 HydrophobicContact CG1-CG2 4.01Å; V623-V627 WeakPolarHBondContact O-CG2 3.34Å; V623-V627 PolarHBondContact O-N 3.45Å; V623-I632 HydrophobicContact CG1-CD1 4.3Å |
| 624 | W | 63.3 | Low | 63.6 | Low | 136 Ų | 136 | 95.4 Ų | 95.4 | 52% | 0.515 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.1 | -41.1 | 174.8 | -164 | -86.3 | 0 | 0 | 0 | 113.5 | G620 G621 V622 W629 I632 | G620-W624 VanDerWaalsContact O-CB 3.26Å; G620-W624 WeakPolarHBondContact O-CB 3.26Å; G620-W624 PolarHBondContact O-N 2.86Å; G621-W624 WeakPolarHBondContact O-CB 2.99Å; V622-W624 VanDerWaalsContact C-N 3.29Å; V622-W624 PolarHBondContact O-N 3.47Å; W624-W629 AromaticContact CH2-CE3 3.64Å; W624-W629 HydrophobicContact CH2-CE3 3.64Å; W624-W629 HydrophobicContact CH2-CH2 4.11Å; W624-W629 AromaticContact CH2-CZ3 3.24Å; W624-W629 HydrophobicContact CH2-CZ3 3.24Å; W624-W629 AromaticContact CZ2-CE3 3.39Å; W624-W629 HydrophobicContact CZ2-CE3 3.39Å; W624-W629 HydrophobicContact CZ2-CH2 4.46Å; W624-W629 AromaticContact CZ2-CZ3 3.25Å; W624-W629 HydrophobicContact CZ2-CZ3 3.25Å; W624-W629 HydrophobicContact CZ3-CE3 4.5Å; W624-W629 HydrophobicContact CZ3-CZ3 4.34Å; W624-I632 HydrophobicContact CB-CD1 4.29Å; W624-I632 HydrophobicContact CD2-CD1 4.22Å; W624-I632 HydrophobicContact CE3-CD1 3.69Å; W624-I632 HydrophobicContact CG-CD1 4.48Å |
| 625 | K | 66 | Low | 64.8 | Low | 190 Ų | 190 | 92.4 Ų | 92.4 | 83% | 0.826 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -81.1 | -29.7 | -179.8 | -165.7 | 171.6 | -177.9 | 176.8 | 0 | 113.3 | G621 V622 V623 | G621-K625 PolarHBondContact O-N 3.49Å; G621-K625 VanDerWaalsContact O-N 3.13Å; V622-K625 PolarHBondContact O-N 3.22Å; V623-K625 VanDerWaalsContact C-N 3.34Å; V623-K625 PolarHBondContact O-N 2.83Å |
| 626 | A | 60.7 | Low | 65.9 | Low | 80 Ų | 80 | 93.7 Ų | 93.7 | 66% | 0.661 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -88.3 | -36.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | V622 V623 | V622-A626 VanDerWaalsContact O-CB 3.28Å; V622-A626 WeakPolarHBondContact O-CB 3.2Å; V622-A626 PolarHBondContact O-N 2.89Å; V623-A626 PolarHBondContact O-N 3.12Å |
| 627 | V | 61.4 | Low | 66.9 | Low | 76 Ų | 76 | 90.4 Ų | 90.4 | 46% | 0.461 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -103.5 | -14.1 | -170.7 | -156.1 | 0 | 0 | 0 | 0 | 112.6 | V623 C631 | V623-V627 HydrophobicContact CG1-CG2 4.01Å; V623-V627 WeakPolarHBondContact O-CG2 3.34Å; V623-V627 PolarHBondContact O-N 3.45Å; V627-C631 HydrophobicContact CB-CB 4.32Å; V627-C631 HydrophobicContact CG1-CB 3.46Å; V627-C631 VanDerWaalsContact CG1-CB 3.46Å; V627-C631 PolarHBondContact O-SG 2.95Å |
| 628 | G | 66.1 | Low | 68 | Low | 31 Ų | 31 | 89.3 Ų | 89.3 | 32% | 0.32 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | 74.3 | 149.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | R630 C631 | G628-R630 PolarHBondContact O-N 3.44Å; G628-C631 PolarHBondContact O-N 3.45Å; G628-C631 VanDerWaalsContact O-N 3.1Å |
| 629 | W | 71.8 | Confident | 69.1 | Low | 170 Ų | 170 | 90.2 Ų | 90.2 | 64% | 0.644 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -53 | -34 | -175.9 | 179.3 | -75.8 | 0 | 0 | 0 | 113.1 | W624 C631 I632 A633 | W624-W629 AromaticContact CH2-CE3 3.64Å; W624-W629 HydrophobicContact CH2-CE3 3.64Å; W624-W629 HydrophobicContact CH2-CH2 4.11Å; W624-W629 AromaticContact CH2-CZ3 3.24Å; W624-W629 HydrophobicContact CH2-CZ3 3.24Å; W624-W629 AromaticContact CZ2-CE3 3.39Å; W624-W629 HydrophobicContact CZ2-CE3 3.39Å; W624-W629 HydrophobicContact CZ2-CH2 4.46Å; W624-W629 AromaticContact CZ2-CZ3 3.25Å; W624-W629 HydrophobicContact CZ2-CZ3 3.25Å; W624-W629 HydrophobicContact CZ3-CE3 4.5Å; W624-W629 HydrophobicContact CZ3-CZ3 4.34Å; W629-C631 VanDerWaalsContact C-N 3.32Å; W629-C631 PolarHBondContact O-N 2.97Å; W629-I632 PolarHBondContact O-N 3.34Å; W629-A633 VanDerWaalsContact O-CB 3.3Å; W629-A633 WeakPolarHBondContact O-CB 3.3Å; W629-A633 PolarHBondContact O-N 2.86Å |
| 630 | R | 72.6 | Confident | 69.9 | Low | 212 Ų | 212 | 87.4 Ų | 87.4 | 80% | 0.8 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -58.1 | -39.5 | -179.6 | -69.9 | -178.5 | 176.6 | 161.4 | -0.8 | 113.1 | G628 L634 | G628-R630 PolarHBondContact O-N 3.44Å; R630-L634 WeakPolarHBondContact O-CB 3.12Å; R630-L634 WeakPolarHBondContact O-CD1 3.39Å; R630-L634 WeakPolarHBondContact O-CG 3.38Å; R630-L634 PolarHBondContact O-N 3.3Å |
| 631 | C | 73.4 | Confident | 70.9 | Confident | 59 Ų | 59 | 90.5 Ų | 90.5 | 40% | 0.399 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -77.1 | -33.3 | -179.4 | -67.1 | 0 | 0 | 0 | 0 | 112.7 | V627 G628 W629 L634 S635 | V627-C631 HydrophobicContact CB-CB 4.32Å; V627-C631 HydrophobicContact CG1-CB 3.46Å; V627-C631 VanDerWaalsContact CG1-CB 3.46Å; V627-C631 PolarHBondContact O-SG 2.95Å; G628-C631 PolarHBondContact O-N 3.45Å; G628-C631 VanDerWaalsContact O-N 3.1Å; W629-C631 VanDerWaalsContact C-N 3.32Å; W629-C631 PolarHBondContact O-N 2.97Å; C631-L634 PolarHBondContact O-N 2.87Å; C631-S635 PolarHBondContact O-N 2.95Å; C631-S635 PolarHBondContact O-OG 2.87Å |
| 632 | I | 72.8 | Confident | 71.8 | Confident | 41 Ų | 41 | 91.8 Ų | 91.8 | 21% | 0.21 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -71.7 | -39.4 | 174.3 | -61.9 | 177.8 | 0 | 0 | 0 | 110.5 | V623 W624 W629 S635 A636 | V623-I632 HydrophobicContact CG1-CD1 4.3Å; W624-I632 HydrophobicContact CB-CD1 4.29Å; W624-I632 HydrophobicContact CD2-CD1 4.22Å; W624-I632 HydrophobicContact CE3-CD1 3.69Å; W624-I632 HydrophobicContact CG-CD1 4.48Å; W629-I632 PolarHBondContact O-N 3.34Å; I632-S635 PolarHBondContact O-N 3.46Å; I632-S635 PolarHBondContact O-OG 2.92Å; I632-A636 WeakPolarHBondContact O-CB 3.36Å; I632-A636 PolarHBondContact O-N 3.14Å |
| 633 | A | 73.8 | Confident | 72.6 | Confident | 40 Ų | 40 | 91.4 Ų | 91.4 | 33% | 0.331 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.9 | -39.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | W629 S637 | W629-A633 VanDerWaalsContact O-CB 3.3Å; W629-A633 WeakPolarHBondContact O-CB 3.3Å; W629-A633 PolarHBondContact O-N 2.86Å; A633-S637 WeakPolarHBondContact O-CB 3.44Å; A633-S637 PolarHBondContact O-N 3.36Å |
| 634 | L | 78.9 | Confident | 73.3 | Confident | 121 Ų | 121 | 93 Ų | 93 | 63% | 0.634 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65 | -43.6 | 173.8 | -84.8 | 163.5 | 0 | 0 | 0 | 112.4 | R630 C631 S637 L638 | R630-L634 WeakPolarHBondContact O-CB 3.12Å; R630-L634 WeakPolarHBondContact O-CD1 3.39Å; R630-L634 WeakPolarHBondContact O-CG 3.38Å; R630-L634 PolarHBondContact O-N 3.3Å; C631-L634 PolarHBondContact O-N 2.87Å; L634-S637 PolarHBondContact O-N 3.49Å; L634-L638 VanDerWaalsContact O-CB 3.26Å; L634-L638 WeakPolarHBondContact O-CB 3.29Å; L634-L638 PolarHBondContact O-N 3.33Å |
| 635 | S | 73.9 | Confident | 74.1 | Confident | 71 Ų | 71 | 94 Ų | 94 | 50% | 0.497 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -72.3 | -38.1 | 179 | 64.3 | 0 | 0 | 0 | 0 | 112.7 | C631 I632 L638 Y639 | C631-S635 PolarHBondContact O-N 2.95Å; C631-S635 PolarHBondContact O-OG 2.87Å; I632-S635 PolarHBondContact O-N 3.46Å; I632-S635 PolarHBondContact O-OG 2.92Å; S635-L638 PolarHBondContact O-N 2.97Å; S635-Y639 VanDerWaalsContact O-CB 3.3Å; S635-Y639 WeakPolarHBondContact O-CB 3.42Å; S635-Y639 PolarHBondContact O-N 2.92Å |
| 636 | A | 74.4 | Confident | 74.7 | Confident | 62 Ų | 62 | 87 Ų | 87 | 51% | 0.512 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.6 | -38.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I632 G640 | I632-A636 WeakPolarHBondContact O-CB 3.36Å; I632-A636 PolarHBondContact O-N 3.14Å; A636-G640 PolarHBondContact O-N 3.14Å |
| 637 | S | 76.8 | Confident | 75.3 | Confident | 64 Ų | 64 | 90.1 Ų | 90.1 | 45% | 0.448 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.8 | -44.1 | 172.9 | -177.4 | 0 | 0 | 0 | 0 | 111.4 | A633 L634 G640 L641 | A633-S637 WeakPolarHBondContact O-CB 3.44Å; A633-S637 PolarHBondContact O-N 3.36Å; L634-S637 PolarHBondContact O-N 3.49Å; S637-G640 PolarHBondContact O-N 2.87Å; S637-L641 VanDerWaalsContact O-CB 3.3Å; S637-L641 WeakPolarHBondContact O-CB 2.99Å; S637-L641 VanDerWaalsContact O-CG 3.29Å; S637-L641 WeakPolarHBondContact O-CG 3.28Å; S637-L641 PolarHBondContact O-N 3.32Å |
| 638 | L | 81.3 | Confident | 75.8 | Confident | 107 Ų | 107 | 92.4 Ų | 92.4 | 56% | 0.56 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64.3 | -42 | 176.5 | -171.4 | 67.6 | 0 | 0 | 0 | 111.9 | L634 S635 L641 L642 | L634-L638 VanDerWaalsContact O-CB 3.26Å; L634-L638 WeakPolarHBondContact O-CB 3.29Å; L634-L638 PolarHBondContact O-N 3.33Å; S635-L638 PolarHBondContact O-N 2.97Å; L638-L641 PolarHBondContact O-N 2.95Å; L638-L642 HydrophobicContact CG-CD1 4.39Å; L638-L642 WeakPolarHBondContact O-CB 3.49Å; L638-L642 VanDerWaalsContact O-CG 3.28Å; L638-L642 WeakPolarHBondContact O-CG 3.5Å; L638-L642 PolarHBondContact O-N 3.07Å |
| 639 | Y | 81.9 | Confident | 76.2 | Confident | 106 Ų | 106 | 94 Ų | 94 | 42% | 0.416 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.5 | -41.6 | 174.1 | -174.8 | -87.5 | 0 | 0 | 0 | 111.7 | F536 L538 S635 L642 Y643 | F536-Y639 HydrophobicContact CE1-CD2 4.29Å; F536-Y639 AromaticContact CE1-CE1 3.95Å; F536-Y639 HydrophobicContact CE1-CE1 3.95Å; F536-Y639 AromaticContact CE1-CE2 3.66Å; F536-Y639 HydrophobicContact CE1-CE2 3.66Å; F536-Y639 AromaticContact CE1-CZ 3.47Å; F536-Y639 VanDerWaalsContact CE1-CZ 3.47Å; F536-Y639 HydrophobicContact CZ-CE2 4.44Å; L538-Y639 HydrophobicContact CB-CE2 4.14Å; L538-Y639 PolarHBondContact O-OH 3.15Å; S635-Y639 VanDerWaalsContact O-CB 3.3Å; S635-Y639 WeakPolarHBondContact O-CB 3.42Å; S635-Y639 PolarHBondContact O-N 2.92Å; Y639-L642 PolarHBondContact O-N 3.09Å; Y639-Y643 WeakPolarHBondContact O-CB 3.13Å; Y639-Y643 PolarHBondContact O-N 3.41Å |
| 640 | G | 76.4 | Confident | 76.4 | Confident | 35 Ų | 35 | 88.6 Ų | 88.6 | 36% | 0.361 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.7 | -39.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A636 S637 Y643 L644 | A636-G640 PolarHBondContact O-N 3.14Å; S637-G640 PolarHBondContact O-N 2.87Å; G640-Y643 PolarHBondContact O-N 2.87Å; G640-L644 VanDerWaalsContact O-CB 3.3Å; G640-L644 WeakPolarHBondContact O-CB 3.38Å; G640-L644 PolarHBondContact O-N 2.86Å |
| 641 | L | 80.3 | Confident | 76.7 | Confident | 102 Ų | 102 | 82 Ų | 82 | 53% | 0.534 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.1 | -40.6 | 173.6 | -79.1 | 165.4 | 0 | 0 | 0 | 111.5 | S637 L638 L644 Y645 | S637-L641 VanDerWaalsContact O-CB 3.3Å; S637-L641 WeakPolarHBondContact O-CB 2.99Å; S637-L641 VanDerWaalsContact O-CG 3.29Å; S637-L641 WeakPolarHBondContact O-CG 3.28Å; S637-L641 PolarHBondContact O-N 3.32Å; L638-L641 PolarHBondContact O-N 2.95Å; L641-L644 PolarHBondContact O-N 2.88Å; L641-Y645 WeakPolarHBondContact O-CB 3.21Å; L641-Y645 PolarHBondContact O-N 3.29Å |
| 642 | L | 78.4 | Confident | 76.6 | Confident | 68 Ų | 68 | 82.6 Ų | 82.6 | 36% | 0.356 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 173.1 | -74.5 | 166.7 | 0 | 0 | 0 | 111.7 | F536 L538 L638 Y639 Y645 E646 | F536-L642 HydrophobicContact CE2-CB 4.48Å; F536-L642 HydrophobicContact CZ-CB 4.26Å; L538-L642 HydrophobicContact CD1-CD1 4.49Å; L638-L642 HydrophobicContact CG-CD1 4.39Å; L638-L642 WeakPolarHBondContact O-CB 3.49Å; L638-L642 VanDerWaalsContact O-CG 3.28Å; L638-L642 WeakPolarHBondContact O-CG 3.5Å; L638-L642 PolarHBondContact O-N 3.07Å; Y639-L642 PolarHBondContact O-N 3.09Å; L642-Y645 PolarHBondContact O-N 3.5Å; L642-E646 WeakPolarHBondContact O-CB 3.32Å; L642-E646 PolarHBondContact O-N 3.44Å |
| 643 | Y | 78.5 | Confident | 76.7 | Confident | 83 Ų | 83 | 87.4 Ų | 87.4 | 33% | 0.325 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.7 | -44.9 | 174 | -175.6 | -86.7 | 0 | 0 | 0 | 112.1 | F534 F536 Y639 G640 R647 | F534-Y643 HydrophobicContact CE1-CD2 4.49Å; F534-Y643 HydrophobicContact CE1-CE1 4.48Å; F534-Y643 AromaticContact CE1-CE2 3.79Å; F534-Y643 HydrophobicContact CE1-CE2 3.79Å; F534-Y643 AromaticContact CE1-CZ 3.77Å; F534-Y643 HydrophobicContact CZ-CE2 4.45Å; F536-Y643 HydrophobicContact CB-CD2 3.93Å; F536-Y643 HydrophobicContact CB-CE2 3.96Å; F536-Y643 AromaticContact CD1-CD2 3.87Å; F536-Y643 HydrophobicContact CD1-CD2 3.87Å; F536-Y643 AromaticContact CD2-CD2 3.66Å; F536-Y643 HydrophobicContact CD2-CD2 3.66Å; F536-Y643 HydrophobicContact CD2-CE2 4.45Å; F536-Y643 HydrophobicContact CD2-CG 4.32Å; F536-Y643 HydrophobicContact CE1-CD2 4.3Å; F536-Y643 HydrophobicContact CE2-CD2 4.17Å; F536-Y643 HydrophobicContact CE2-CG 4.48Å; F536-Y643 AromaticContact CG-CD2 3.54Å; F536-Y643 HydrophobicContact CG-CD2 3.54Å; F536-Y643 HydrophobicContact CG-CE2 4.09Å; F536-Y643 HydrophobicContact CZ-CD2 4.45Å; Y639-Y643 WeakPolarHBondContact O-CB 3.13Å; Y639-Y643 PolarHBondContact O-N 3.41Å; G640-Y643 PolarHBondContact O-N 2.87Å; Y643-R647 WeakPolarHBondContact O-CB 3.48Å; Y643-R647 PolarHBondContact O-N 3.3Å; Y643-R647 PolarHBondContact OH-NH1 3.17Å |
| 644 | L | 77.1 | Confident | 76.8 | Confident | 99 Ų | 99 | 86.5 Ų | 86.5 | 52% | 0.518 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -67.6 | -39.7 | 177.9 | -162.4 | 73.7 | 0 | 0 | 0 | 111.1 | G640 L641 R647 L648 | G640-L644 VanDerWaalsContact O-CB 3.3Å; G640-L644 WeakPolarHBondContact O-CB 3.38Å; G640-L644 PolarHBondContact O-N 2.86Å; L641-L644 PolarHBondContact O-N 2.88Å; L644-R647 PolarHBondContact O-N 2.89Å; L644-L648 HydrophobicContact CD2-CD1 4.34Å; L644-L648 HydrophobicContact CG-CD1 3.92Å; L644-L648 HydrophobicContact CG-CG 4.39Å; L644-L648 VanDerWaalsContact O-CB 3.25Å; L644-L648 WeakPolarHBondContact O-CB 3.42Å; L644-L648 WeakPolarHBondContact O-CG 3.22Å; L644-L648 PolarHBondContact O-N 2.89Å |
| 645 | Y | 79.4 | Confident | 76.7 | Confident | 156 Ų | 156 | 84.5 Ų | 84.5 | 61% | 0.612 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -62.6 | -48.7 | 175.3 | 177.9 | -98.5 | 0 | 0 | 0 | 111.8 | L641 L642 R647 L648 T649 | L641-Y645 WeakPolarHBondContact O-CB 3.21Å; L641-Y645 PolarHBondContact O-N 3.29Å; L642-Y645 PolarHBondContact O-N 3.5Å; Y645-R647 VanDerWaalsContact C-N 3.34Å; Y645-R647 PolarHBondContact O-N 3.12Å; Y645-L648 PolarHBondContact O-N 3.48Å; Y645-T649 HydrophobicContact CD2-CG2 4.49Å; Y645-T649 HydrophobicContact CE1-CG2 4.41Å; Y645-T649 HydrophobicContact CE2-CG2 4.19Å; Y645-T649 WeakPolarHBondContact O-CB 3.29Å; Y645-T649 WeakPolarHBondContact O-CG2 3.4Å; Y645-T649 PolarHBondContact O-N 3.46Å; Y645-T649 PolarHBondContact O-OG1 3.44Å |
| 646 | E | 78.9 | Confident | 77 | Confident | 45 Ų | 45 | 83.1 Ų | 83.1 | 21% | 0.21 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -62.3 | -40.9 | 174.5 | -75.9 | -171.5 | -169.4 | 0 | 0 | 111.5 | F534 F536 S537 L642 T649 W650 | F534-E646 HydrophobicContact CE2-CB 4.12Å; F534-E646 HydrophobicContact CZ-CB 4.17Å; F536-E646 HydrophobicContact CD2-CB 4.2Å; F536-E646 HydrophobicContact CD2-CG 4.4Å; F536-E646 WeakPolarHBondContact CD2-OE2 3.42Å; F536-E646 HydrophobicContact CE2-CB 4.32Å; F536-E646 HydrophobicContact CE2-CG 4.22Å; F536-E646 WeakPolarHBondContact CE2-OE2 3.47Å; S537-E646 VanDerWaalsContact CB-OE1 3.23Å; S537-E646 WeakPolarHBondContact CB-OE1 3.09Å; S537-E646 WeakPolarHBondContact CB-OE2 3.34Å; S537-E646 PolarHBondContact N-OE2 3.21Å; S537-E646 PolarHBondContact OG-OE1 3.21Å; S537-E646 PolarHBondContact OG-OE2 3.48Å; L642-E646 WeakPolarHBondContact O-CB 3.32Å; L642-E646 PolarHBondContact O-N 3.44Å; E646-T649 WeakPolarHBondContact CA-OG1 3.35Å; E646-T649 PolarHBondContact O-N 3.34Å; E646-T649 PolarHBondContact O-OG1 3.37Å; E646-T649 VanDerWaalsContact O-OG1 3.14Å; E646-W650 WeakPolarHBondContact O-CB 3.42Å; E646-W650 PolarHBondContact O-N 3.45Å |
| 647 | R | 72.8 | Confident | 77.3 | Confident | 144 Ų | 144 | 88.7 Ų | 88.7 | 54% | 0.543 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -73.4 | -30 | -178.6 | -165.5 | 161.2 | 176.5 | 138.5 | 1.9 | 113.7 | F534 Y643 L644 Y645 | F534-R647 HydrophobicContact CE1-CB 4.12Å; F534-R647 HydrophobicContact CE1-CG 4.18Å; F534-R647 HydrophobicContact CE2-CB 4.05Å; F534-R647 HydrophobicContact CE2-CG 4.43Å; F534-R647 HydrophobicContact CZ-CB 3.67Å; F534-R647 HydrophobicContact CZ-CG 4.14Å; Y643-R647 WeakPolarHBondContact O-CB 3.48Å; Y643-R647 PolarHBondContact O-N 3.3Å; Y643-R647 PolarHBondContact OH-NH1 3.17Å; L644-R647 PolarHBondContact O-N 2.89Å; Y645-R647 VanDerWaalsContact C-N 3.34Å; Y645-R647 PolarHBondContact O-N 3.12Å |
| 648 | L | 73 | Confident | 77.4 | Confident | 124 Ų | 124 | 87.6 Ų | 87.6 | 65% | 0.649 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -77.5 | -33.4 | 172.4 | -72.7 | 170.2 | 0 | 0 | 0 | 112.3 | L644 Y645 W650 | L644-L648 HydrophobicContact CD2-CD1 4.34Å; L644-L648 HydrophobicContact CG-CD1 3.92Å; L644-L648 HydrophobicContact CG-CG 4.39Å; L644-L648 VanDerWaalsContact O-CB 3.25Å; L644-L648 WeakPolarHBondContact O-CB 3.42Å; L644-L648 WeakPolarHBondContact O-CG 3.22Å; L644-L648 PolarHBondContact O-N 2.89Å; Y645-L648 PolarHBondContact O-N 3.48Å; L648-W650 VanDerWaalsContact C-N 3.32Å |
| 649 | T | 74 | Confident | 77.5 | Confident | 66 Ų | 66 | 82.6 Ų | 82.6 | 41% | 0.405 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -77.3 | -16.6 | 174.5 | 52.2 | 0 | 0 | 0 | 0 | 113 | Y645 E646 T651 A654 | Y645-T649 HydrophobicContact CD2-CG2 4.49Å; Y645-T649 HydrophobicContact CE1-CG2 4.41Å; Y645-T649 HydrophobicContact CE2-CG2 4.19Å; Y645-T649 WeakPolarHBondContact O-CB 3.29Å; Y645-T649 WeakPolarHBondContact O-CG2 3.4Å; Y645-T649 PolarHBondContact O-N 3.46Å; Y645-T649 PolarHBondContact O-OG1 3.44Å; E646-T649 WeakPolarHBondContact CA-OG1 3.35Å; E646-T649 PolarHBondContact O-N 3.34Å; E646-T649 PolarHBondContact O-OG1 3.37Å; E646-T649 VanDerWaalsContact O-OG1 3.14Å; T649-T651 PolarHBondContact O-N 3.01Å; T649-A654 WeakPolarHBondContact O-CB 2.91Å |
| 650 | W | 76.3 | Confident | 77.6 | Confident | 56 Ų | 56 | 78 Ų | 78 | 21% | 0.212 | 38% | 0.375 | C | S | . | . | trans | -71.8 | 53.2 | 174.8 | -159 | -115.3 | 0 | 0 | 0 | 115 | F534 E646 L648 A654 R655 T658 | F534-W650 HydrophobicContact CB-CG 4.49Å; F534-W650 HydrophobicContact CD2-CB 3.81Å; F534-W650 AromaticContact CD2-CD1 3.7Å; F534-W650 HydrophobicContact CD2-CD2 4.01Å; F534-W650 AromaticContact CD2-CG 3.58Å; F534-W650 HydrophobicContact CD2-CG 3.58Å; F534-W650 HydrophobicContact CE2-CB 4.14Å; F534-W650 HydrophobicContact CE2-CG 4.34Å; F534-W650 HydrophobicContact CG-CG 4.47Å; E646-W650 WeakPolarHBondContact O-CB 3.42Å; E646-W650 PolarHBondContact O-N 3.45Å; L648-W650 VanDerWaalsContact C-N 3.32Å; W650-A654 HydrophobicContact CE3-CB 4.24Å; W650-R655 HydrophobicContact CD2-CG 4.35Å; W650-R655 HydrophobicContact CZ2-CG 4.09Å; W650-T658 HydrophobicContact CH2-CG2 4.14Å; W650-T658 WeakPolarHBondContact CH2-OG1 3.45Å | ||
| 651 | T | 77.9 | Confident | 78 | Confident | 73 Ų | 73 | 84.6 Ų | 84.6 | 45% | 0.448 | 39% | 0.389 | S | S | . | . | trans | -71.5 | 168.6 | 175.6 | 61.2 | 0 | 0 | 0 | 0 | 112.5 | T649 K653 A654 R655 | T649-T651 PolarHBondContact O-N 3.01Å; T651-K653 PolarHBondContact O-N 3.35Å; T651-A654 WeakPolarHBondContact O-CB 3.5Å; T651-A654 PolarHBondContact O-N 2.92Å; T651-A654 PolarHBondContact OG1-N 3.31Å; T651-R655 PolarHBondContact O-N 2.94Å | ||
| 652 | T | 71.9 | Confident | 78.1 | Confident | 72 Ų | 72 | 82.1 Ų | 82.1 | 44% | 0.442 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -54.8 | -37.2 | 173.2 | 47.2 | 0 | 0 | 0 | 0 | 112.6 | F443 P445 R655 E656 | F443-T652 WeakPolarHBondContact CD1-O 3.49Å; F443-T652 WeakPolarHBondContact CE1-O 3.48Å; P445-T652 HydrophobicContact CG-CG2 4.39Å; T652-R655 WeakPolarHBondContact O-CB 3.46Å; T652-R655 PolarHBondContact O-N 3.47Å; T652-E656 PolarHBondContact O-N 3.15Å |
| 653 | K | 75.3 | Confident | 78.4 | Confident | 142 Ų | 142 | 79.1 Ų | 79.1 | 62% | 0.617 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -68.5 | -31.7 | 174.6 | -66.4 | -174.2 | 177 | -177.9 | 0 | 113.7 | T651 R657 | T651-K653 PolarHBondContact O-N 3.35Å; K653-R657 WeakPolarHBondContact O-CG 3.41Å; K653-R657 PolarHBondContact O-N 2.85Å |
| 654 | A | 75.6 | Confident | 78.7 | Confident | 21 Ų | 21 | 76.4 Ų | 76.4 | 17% | 0.174 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68.9 | -43.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | T649 W650 T651 E656 R657 T658 | T649-A654 WeakPolarHBondContact O-CB 2.91Å; W650-A654 HydrophobicContact CE3-CB 4.24Å; T651-A654 WeakPolarHBondContact O-CB 3.5Å; T651-A654 PolarHBondContact O-N 2.92Å; T651-A654 PolarHBondContact OG1-N 3.31Å; A654-E656 PolarHBondContact O-N 2.81Å; A654-R657 PolarHBondContact O-N 2.82Å; A654-T658 PolarHBondContact O-N 3.5Å; A654-T658 PolarHBondContact O-OG1 3.26Å |
| 655 | R | 76.6 | Confident | 79.1 | Confident | 79 Ų | 79 | 76.7 Ų | 76.7 | 30% | 0.298 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.8 | -43.9 | 174.4 | -68.6 | -175.9 | -165.7 | -164.8 | 5.3 | 112.9 | F443 I532 W650 T651 T652 T658 L659 | F443-R655 HydrophobicContact CE1-CB 3.76Å; F443-R655 HydrophobicContact CZ-CB 4.03Å; I532-R655 HydrophobicContact CG2-CB 3.49Å; I532-R655 VanDerWaalsContact CG2-CB 3.49Å; I532-R655 HydrophobicContact CG2-CG 3.69Å; W650-R655 HydrophobicContact CD2-CG 4.35Å; W650-R655 HydrophobicContact CZ2-CG 4.09Å; T651-R655 PolarHBondContact O-N 2.94Å; T652-R655 WeakPolarHBondContact O-CB 3.46Å; T652-R655 PolarHBondContact O-N 3.47Å; R655-T658 PolarHBondContact O-N 3.41Å; R655-L659 PolarHBondContact O-N 3.5Å |
| 656 | E | 80.4 | Confident | 79.3 | Confident | 41 Ų | 41 | 71.3 Ų | 71.3 | 19% | 0.192 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.1 | -46.6 | 174.5 | -169.9 | -157.3 | 140.7 | 0 | 0 | 111.3 | F443 T652 A654 L659 K660 | F443-E656 HydrophobicContact CB-CB 4.36Å; F443-E656 HydrophobicContact CB-CG 4.07Å; F443-E656 HydrophobicContact CD1-CB 3.9Å; F443-E656 HydrophobicContact CD1-CG 4.48Å; F443-E656 HydrophobicContact CD2-CB 4.16Å; F443-E656 HydrophobicContact CD2-CG 4.06Å; F443-E656 HydrophobicContact CE1-CB 4.23Å; F443-E656 HydrophobicContact CE2-CB 4.47Å; F443-E656 HydrophobicContact CG-CB 3.86Å; F443-E656 HydrophobicContact CG-CG 3.94Å; T652-E656 PolarHBondContact O-N 3.15Å; A654-E656 PolarHBondContact O-N 2.81Å; E656-L659 PolarHBondContact O-N 2.89Å; E656-K660 HydrophobicContact CG-CD 4.43Å; E656-K660 WeakPolarHBondContact O-CB 3.35Å; E656-K660 WeakPolarHBondContact O-CG 3.38Å; E656-K660 PolarHBondContact O-N 2.84Å; E656-K660 WeakPolarHBondContact OE1-CE 3.42Å; E656-K660 IonicContact OE1-NZ 2.76Å; E656-K660 PolarHBondContact OE1-NZ 3.07Å |
| 657 | R | 80.5 | Confident | 79.5 | Confident | 180 Ų | 180 | 69.2 Ų | 69.2 | 68% | 0.679 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -63 | -40.9 | 176.5 | -72.3 | 172.2 | -178.9 | 174.7 | -1.1 | 112.8 | K653 A654 K660 R661 | K653-R657 WeakPolarHBondContact O-CG 3.41Å; K653-R657 PolarHBondContact O-N 2.85Å; A654-R657 PolarHBondContact O-N 2.82Å; R657-K660 PolarHBondContact O-N 2.8Å; R657-R661 WeakPolarHBondContact O-CB 3.4Å; R657-R661 PolarHBondContact O-N 3.07Å |
| 658 | T | 79.6 | Confident | 80.1 | Confident | 41 Ų | 41 | 63.9 Ų | 63.9 | 25% | 0.252 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.5 | -41.5 | 176.2 | -59.2 | 0 | 0 | 0 | 0 | 111.5 | W650 A654 R655 R661 Q662 | W650-T658 HydrophobicContact CH2-CG2 4.14Å; W650-T658 WeakPolarHBondContact CH2-OG1 3.45Å; A654-T658 PolarHBondContact O-N 3.5Å; A654-T658 PolarHBondContact O-OG1 3.26Å; R655-T658 PolarHBondContact O-N 3.41Å; T658-R661 PolarHBondContact O-N 3.39Å; T658-Q662 WeakPolarHBondContact O-CB 3.38Å; T658-Q662 WeakPolarHBondContact O-CG 3.41Å; T658-Q662 PolarHBondContact O-N 3.46Å |
| 659 | L | 83.2 | Confident | 80.6 | Confident | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.9 | -46.9 | 173.9 | 174.8 | 141 | 0 | 0 | 0 | 111.7 | F443 L450 Y453 E530 I532 R655 E656 R661 Q662 F663 | F443-L659 HydrophobicContact CE2-CD1 4.37Å; L450-L659 HydrophobicContact CD1-CD1 3.84Å; Y453-L659 HydrophobicContact CD1-CD2 4.43Å; Y453-L659 HydrophobicContact CE1-CD2 3.91Å; E530-L659 HydrophobicContact CB-CD1 4.35Å; E530-L659 VanDerWaalsContact OE2-CD1 3.3Å; E530-L659 WeakPolarHBondContact OE2-CD1 3.34Å; I532-L659 HydrophobicContact CD1-CB 4.47Å; I532-L659 HydrophobicContact CD1-CD1 3.65Å; I532-L659 HydrophobicContact CG1-CD1 4.47Å; R655-L659 PolarHBondContact O-N 3.5Å; E656-L659 PolarHBondContact O-N 2.89Å; L659-R661 VanDerWaalsContact C-N 3.29Å; L659-R661 PolarHBondContact O-N 2.94Å; L659-Q662 PolarHBondContact O-N 3.45Å; L659-F663 WeakPolarHBondContact O-CB 3.25Å; L659-F663 PolarHBondContact O-N 3.2Å |
| 660 | K | 83.9 | Confident | 81 | Confident | 11 Ų | 11 | 63.8 Ų | 63.8 | 5% | 0.048 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57 | -42.7 | 175.8 | -81.2 | -179.8 | 165.8 | 170.2 | 0 | 111.3 | V436 F439 Y453 E656 R657 F663 V664 | V436-K660 HydrophobicContact CG1-CB 3.74Å; V436-K660 HydrophobicContact CG1-CD 4.12Å; V436-K660 HydrophobicContact CG1-CG 3.65Å; V436-K660 WeakPolarHBondContact O-CE 3.3Å; V436-K660 PolarHBondContact O-NZ 3.35Å; F439-K660 PolarHBondContact O-NZ 3.2Å; Y453-K660 WeakPolarHBondContact OH-CE 3.47Å; E656-K660 HydrophobicContact CG-CD 4.43Å; E656-K660 WeakPolarHBondContact O-CB 3.35Å; E656-K660 WeakPolarHBondContact O-CG 3.38Å; E656-K660 PolarHBondContact O-N 2.84Å; E656-K660 WeakPolarHBondContact OE1-CE 3.42Å; E656-K660 IonicContact OE1-NZ 2.76Å; E656-K660 PolarHBondContact OE1-NZ 3.07Å; R657-K660 PolarHBondContact O-N 2.8Å; K660-F663 PolarHBondContact O-N 2.74Å; K660-V664 VanDerWaalsContact O-CG2 3.28Å; K660-V664 WeakPolarHBondContact O-CG2 3.37Å; K660-V664 PolarHBondContact O-N 2.85Å |
| 661 | R | 83.6 | Confident | 81.4 | Confident | 172 Ų | 172 | 61.2 Ų | 61.2 | 65% | 0.649 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -65.2 | -49.7 | 175.8 | -178.2 | 177.2 | 173.6 | 161.2 | 4 | 113.2 | R657 T658 L659 F663 V664 E665 | R657-R661 WeakPolarHBondContact O-CB 3.4Å; R657-R661 PolarHBondContact O-N 3.07Å; T658-R661 PolarHBondContact O-N 3.39Å; L659-R661 VanDerWaalsContact C-N 3.29Å; L659-R661 PolarHBondContact O-N 2.94Å; R661-F663 PolarHBondContact O-N 2.64Å; R661-V664 PolarHBondContact O-N 3.12Å; R661-E665 WeakPolarHBondContact CG-OE1 3.31Å; R661-E665 IonicContact CZ-OE1 3.92Å; R661-E665 IonicContact NE-OE1 2.93Å; R661-E665 PolarHBondContact NE-OE1 3.29Å; R661-E665 IonicContact NH2-OE1 2.75Å; R661-E665 PolarHBondContact NH2-OE1 2.97Å; R661-E665 WeakPolarHBondContact O-CG 3.49Å; R661-E665 PolarHBondContact O-N 3.28Å |
| 662 | Q | 83.1 | Confident | 81.7 | Confident | 51 Ų | 51 | 62.9 Ų | 62.9 | 24% | 0.238 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.6 | -39.2 | 176.1 | -74.8 | 172.6 | 3.8 | 0 | 0 | 111.2 | F528 N531 T658 L659 F666 | F528-Q662 HydrophobicContact CE2-CB 4.19Å; F528-Q662 HydrophobicContact CZ-CB 4.06Å; N531-Q662 VanDerWaalsContact N-OE1 3.07Å; N531-Q662 PolarHBondContact O-NE2 3Å; T658-Q662 WeakPolarHBondContact O-CB 3.38Å; T658-Q662 WeakPolarHBondContact O-CG 3.41Å; T658-Q662 PolarHBondContact O-N 3.46Å; L659-Q662 PolarHBondContact O-N 3.45Å; Q662-F666 VanDerWaalsContact O-CB 3.3Å; Q662-F666 WeakPolarHBondContact O-CB 3.36Å; Q662-F666 PolarHBondContact O-N 3.19Å |
| 663 | F | 84.4 | Confident | 82.2 | Confident | 5 Ų | 5 | 65.1 Ų | 65.1 | 2% | 0.022 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.1 | -44.8 | 176.3 | 178.4 | -93.4 | 0 | 0 | 0 | 112.1 | V436 L457 L458 V461 F528 L659 K660 R661 F666 A667 | V436-F663 HydrophobicContact CG1-CD1 4.36Å; V436-F663 HydrophobicContact CG2-CD1 3.97Å; V436-F663 HydrophobicContact CG2-CE1 3.94Å; L457-F663 HydrophobicContact CD2-CD1 3.94Å; L457-F663 HydrophobicContact CD2-CD2 4.41Å; L457-F663 HydrophobicContact CD2-CE1 4.11Å; L457-F663 HydrophobicContact CD2-CG 4.1Å; L457-F663 HydrophobicContact CD2-CZ 4.41Å; L457-F663 HydrophobicContact CG-CE1 4.24Å; L457-F663 HydrophobicContact CG-CZ 4.43Å; L458-F663 HydrophobicContact CD2-CE2 3.78Å; L458-F663 HydrophobicContact CD2-CZ 3.69Å; L458-F663 HydrophobicContact CG-CE2 4.14Å; L458-F663 HydrophobicContact CG-CZ 4.23Å; V461-F663 HydrophobicContact CG2-CE1 4.13Å; F528-F663 HydrophobicContact CD1-CD2 4.19Å; F528-F663 HydrophobicContact CE1-CB 4.23Å; F528-F663 HydrophobicContact CE1-CD2 4.2Å; F528-F663 HydrophobicContact CE2-CB 4.39Å; F528-F663 HydrophobicContact CZ-CB 3.91Å; L659-F663 WeakPolarHBondContact O-CB 3.25Å; L659-F663 PolarHBondContact O-N 3.2Å; K660-F663 PolarHBondContact O-N 2.74Å; R661-F663 PolarHBondContact O-N 2.64Å; F663-F666 PolarHBondContact O-N 3.19Å; F663-A667 HydrophobicContact CE1-CB 4.24Å; F663-A667 HydrophobicContact CZ-CB 4.31Å; F663-A667 WeakPolarHBondContact O-CB 3.39Å; F663-A667 PolarHBondContact O-N 2.92Å |
| 664 | V | 85.7 | Confident | 82.6 | Confident | 26 Ų | 26 | 60.2 Ų | 60.2 | 16% | 0.158 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.3 | -45.6 | 175.6 | 169.6 | 0 | 0 | 0 | 0 | 111.1 | N433 V436 K660 R661 T668 | N433-V664 HydrophobicContact CB-CG1 4.28Å; V436-V664 HydrophobicContact CB-CG2 3.74Å; V436-V664 HydrophobicContact CG1-CG2 3.87Å; V436-V664 HydrophobicContact CG2-CG2 3.78Å; K660-V664 VanDerWaalsContact O-CG2 3.28Å; K660-V664 WeakPolarHBondContact O-CG2 3.37Å; K660-V664 PolarHBondContact O-N 2.85Å; R661-V664 PolarHBondContact O-N 3.12Å; V664-T668 WeakPolarHBondContact O-CB 3.39Å; V664-T668 PolarHBondContact O-N 3.46Å; V664-T668 PolarHBondContact O-OG1 3.5Å |
| 665 | E | 84.3 | Confident | 83.1 | Confident | 104 Ų | 104 | 60.1 Ų | 60.1 | 49% | 0.486 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.7 | -46.2 | 178.7 | -71.9 | 171.8 | -170.4 | 0 | 0 | 111 | R661 E669 | R661-E665 WeakPolarHBondContact CG-OE1 3.31Å; R661-E665 IonicContact CZ-OE1 3.92Å; R661-E665 IonicContact NE-OE1 2.93Å; R661-E665 PolarHBondContact NE-OE1 3.29Å; R661-E665 IonicContact NH2-OE1 2.75Å; R661-E665 PolarHBondContact NH2-OE1 2.97Å; R661-E665 WeakPolarHBondContact O-CG 3.49Å; R661-E665 PolarHBondContact O-N 3.28Å; E665-E669 PolarHBondContact O-N 3.41Å |
| 666 | F | 83.8 | Confident | 83.4 | Confident | 44 Ų | 44 | 59.9 Ų | 59.9 | 19% | 0.193 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.7 | -45.6 | 177.5 | 177.9 | -99.4 | 0 | 0 | 0 | 114 | C525 D527 F528 Q662 F663 T668 E669 K670 | C525-F666 HydrophobicContact CB-CE1 4.36Å; D527-F666 HydrophobicContact CB-CZ 4.29Å; F528-F666 HydrophobicContact CB-CD1 3.99Å; F528-F666 HydrophobicContact CB-CE1 3.7Å; F528-F666 HydrophobicContact CB-CZ 4.29Å; F528-F666 HydrophobicContact CD2-CB 3.96Å; F528-F666 AromaticContact CD2-CD1 3.59Å; F528-F666 HydrophobicContact CD2-CD1 3.59Å; F528-F666 HydrophobicContact CD2-CD2 4.4Å; F528-F666 HydrophobicContact CD2-CE1 4.14Å; F528-F666 AromaticContact CD2-CG 3.74Å; F528-F666 HydrophobicContact CD2-CG 3.74Å; F528-F666 HydrophobicContact CE2-CB 4.13Å; F528-F666 HydrophobicContact CE2-CG 4.4Å; F528-F666 HydrophobicContact CG-CD1 4.13Å; F528-F666 HydrophobicContact CG-CE1 4.35Å; Q662-F666 VanDerWaalsContact O-CB 3.3Å; Q662-F666 WeakPolarHBondContact O-CB 3.36Å; Q662-F666 PolarHBondContact O-N 3.19Å; F663-F666 PolarHBondContact O-N 3.19Å; F666-T668 VanDerWaalsContact C-N 3.32Å; F666-T668 PolarHBondContact O-N 2.99Å; F666-E669 PolarHBondContact O-N 3.39Å; F666-K670 HydrophobicContact CD1-CG 4.48Å; F666-K670 HydrophobicContact CE1-CG 4.14Å; F666-K670 HydrophobicContact CE2-CG 4.27Å; F666-K670 HydrophobicContact CZ-CG 4.03Å; F666-K670 WeakPolarHBondContact O-CG 3.17Å; F666-K670 PolarHBondContact O-N 3.24Å; F666-K670 VanDerWaalsContact O-N 3.1Å |
| 667 | A | 83.5 | Confident | 83.7 | Confident | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.008 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.7 | -33.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L432 F663 K670 L671 | L432-A667 HydrophobicContact CD2-CB 3.74Å; F663-A667 HydrophobicContact CE1-CB 4.24Å; F663-A667 HydrophobicContact CZ-CB 4.31Å; F663-A667 WeakPolarHBondContact O-CB 3.39Å; F663-A667 PolarHBondContact O-N 2.92Å; A667-K670 PolarHBondContact O-N 3.16Å; A667-L671 HydrophobicContact CB-CD1 4.31Å; A667-L671 WeakPolarHBondContact O-CB 3.37Å; A667-L671 WeakPolarHBondContact O-CD1 3.46Å; A667-L671 WeakPolarHBondContact O-CG 3.45Å; A667-L671 PolarHBondContact O-N 3.35Å |
| 668 | T | 85.8 | Confident | 83.9 | Confident | 32 Ų | 32 | 56 Ų | 56 | 20% | 0.196 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59 | -50.6 | 173.1 | -62 | 0 | 0 | 0 | 0 | 111.2 | I429 V664 F666 K670 Q672 | I429-T668 HydrophobicContact CG2-CG2 3.78Å; V664-T668 WeakPolarHBondContact O-CB 3.39Å; V664-T668 PolarHBondContact O-N 3.46Å; V664-T668 PolarHBondContact O-OG1 3.5Å; F666-T668 VanDerWaalsContact C-N 3.32Å; F666-T668 PolarHBondContact O-N 2.99Å; T668-K670 PolarHBondContact O-N 3.2Å; T668-Q672 WeakPolarHBondContact O-CB 3.33Å; T668-Q672 VanDerWaalsContact O-CG 3.25Å; T668-Q672 WeakPolarHBondContact O-CG 3.09Å; T668-Q672 PolarHBondContact O-N 2.95Å; T668-Q672 VanDerWaalsContact O-N 3.09Å |
| 669 | E | 83.9 | Confident | 84.3 | Confident | 125 Ų | 125 | 54.1 Ų | 54.1 | 58% | 0.584 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -61.1 | -43.6 | 178.4 | -172.9 | -177.9 | 178.5 | 0 | 0 | 111.7 | E665 F666 | E665-E669 PolarHBondContact O-N 3.41Å; F666-E669 PolarHBondContact O-N 3.39Å |
| 670 | K | 82.4 | Confident | 84.4 | Confident | 62 Ų | 62 | 56.1 Ų | 56.1 | 27% | 0.27 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -74 | -38.3 | -177.6 | -68.8 | -71.8 | -176.7 | 166.3 | 0 | 113.8 | I524 F666 A667 T668 L673 | I524-K670 HydrophobicContact CG2-CB 3.69Å; F666-K670 HydrophobicContact CD1-CG 4.48Å; F666-K670 HydrophobicContact CE1-CG 4.14Å; F666-K670 HydrophobicContact CE2-CG 4.27Å; F666-K670 HydrophobicContact CZ-CG 4.03Å; F666-K670 WeakPolarHBondContact O-CG 3.17Å; F666-K670 PolarHBondContact O-N 3.24Å; F666-K670 VanDerWaalsContact O-N 3.1Å; A667-K670 PolarHBondContact O-N 3.16Å; T668-K670 PolarHBondContact O-N 3.2Å; K670-L673 PolarHBondContact O-N 3.14Å |
| 671 | L | 83.4 | Confident | 84.7 | Confident | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.016 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69 | -34.9 | 176.1 | -73 | 162.9 | 0 | 0 | 0 | 111.4 | I429 L432 M465 A667 L673 I674 V675 | I429-L671 HydrophobicContact CD1-CB 3.75Å; I429-L671 HydrophobicContact CG1-CB 3.88Å; I429-L671 HydrophobicContact CG1-CD1 4.47Å; L432-L671 HydrophobicContact CD2-CD1 3.92Å; M465-L671 HydrophobicContact CE-CD1 4.05Å; M465-L671 HydrophobicContact CE-CD2 4.49Å; M465-L671 HydrophobicContact SD-CD1 3.8Å; A667-L671 HydrophobicContact CB-CD1 4.31Å; A667-L671 WeakPolarHBondContact O-CB 3.37Å; A667-L671 WeakPolarHBondContact O-CD1 3.46Å; A667-L671 WeakPolarHBondContact O-CG 3.45Å; A667-L671 PolarHBondContact O-N 3.35Å; L671-L673 VanDerWaalsContact C-N 3.27Å; L671-L673 PolarHBondContact O-N 2.88Å; L671-I674 PolarHBondContact O-N 3.37Å; L671-V675 WeakPolarHBondContact O-CG2 3.48Å; L671-V675 PolarHBondContact O-N 3.48Å |
| 672 | Q | 83.8 | Confident | 84.8 | Confident | 108 Ų | 108 | 50 Ų | 50 | 51% | 0.505 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.3 | -37.1 | 175.1 | -80.7 | 177.7 | 6.6 | 0 | 0 | 112.9 | I429 T668 I674 | I429-Q672 HydrophobicContact CD1-CG 4.47Å; I429-Q672 HydrophobicContact CG2-CG 4.2Å; T668-Q672 WeakPolarHBondContact O-CB 3.33Å; T668-Q672 VanDerWaalsContact O-CG 3.25Å; T668-Q672 WeakPolarHBondContact O-CG 3.09Å; T668-Q672 PolarHBondContact O-N 2.95Å; T668-Q672 VanDerWaalsContact O-N 3.09Å; Q672-I674 PolarHBondContact O-N 3Å |
| 673 | L | 83.3 | Confident | 85.1 | Confident | 118 Ų | 118 | 48 Ų | 48 | 62% | 0.618 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -16.4 | 177 | -65.5 | 172.3 | 0 | 0 | 0 | 113.8 | K670 L671 | K670-L673 PolarHBondContact O-N 3.14Å; L671-L673 VanDerWaalsContact C-N 3.27Å; L671-L673 PolarHBondContact O-N 2.88Å |
| 674 | I | 83 | Confident | 85.3 | Confident | 40 Ų | 40 | 52.7 Ų | 52.7 | 21% | 0.205 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | -7.5 | -170.5 | -68.3 | 170.6 | 0 | 0 | 0 | 111.7 | I524 L671 Q672 S676 F677 T678 | I524-I674 HydrophobicContact CB-CD1 4.26Å; I524-I674 HydrophobicContact CD1-CD1 3.33Å; I524-I674 HydrophobicContact CD1-CG2 4.35Å; I524-I674 HydrophobicContact CG1-CD1 3.42Å; I524-I674 VanDerWaalsContact CG1-CD1 3.42Å; I524-I674 HydrophobicContact CG2-CD1 3.8Å; L671-I674 PolarHBondContact O-N 3.37Å; Q672-I674 PolarHBondContact O-N 3Å; I674-S676 VanDerWaalsContact C-N 3.29Å; I674-S676 PolarHBondContact O-N 2.93Å; I674-F677 HydrophobicContact CG2-CB 4.44Å; I674-F677 PolarHBondContact O-N 3.26Å; I674-T678 PolarHBondContact O-N 3.32Å; I674-T678 PolarHBondContact O-OG1 2.8Å |
| 675 | V | 85.9 | Confident | 85.5 | Confident | 18 Ų | 18 | 53 Ų | 53 | 11% | 0.109 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -49.7 | -49.5 | 171.7 | 177 | 0 | 0 | 0 | 0 | 111.7 | S422 M425 I429 L671 F677 T678 S679 | S422-V675 WeakPolarHBondContact OG-CG1 3.41Å; M425-V675 HydrophobicContact CB-CG1 4.42Å; M425-V675 HydrophobicContact CE-CG2 4.11Å; M425-V675 HydrophobicContact CG-CG2 4.05Å; M425-V675 HydrophobicContact SD-CB 4.37Å; M425-V675 HydrophobicContact SD-CG2 4.12Å; I429-V675 HydrophobicContact CD1-CG2 3.48Å; I429-V675 VanDerWaalsContact CD1-CG2 3.48Å; L671-V675 WeakPolarHBondContact O-CG2 3.48Å; L671-V675 PolarHBondContact O-N 3.48Å; V675-F677 VanDerWaalsContact C-N 3.35Å; V675-F677 PolarHBondContact O-N 3.05Å; V675-T678 PolarHBondContact O-N 2.62Å; V675-S679 VanDerWaalsContact O-CB 3.31Å; V675-S679 WeakPolarHBondContact O-CB 3.32Å; V675-S679 PolarHBondContact O-N 3.1Å; V675-S679 PolarHBondContact O-OG 2.87Å |
| 676 | S | 84.4 | Confident | 85.7 | Confident | 75 Ų | 75 | 48.1 Ų | 48.1 | 52% | 0.524 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.2 | -34.9 | 179.5 | 52.8 | 0 | 0 | 0 | 0 | 113.3 | I674 S679 A680 | I674-S676 VanDerWaalsContact C-N 3.29Å; I674-S676 PolarHBondContact O-N 2.93Å; S676-S679 WeakPolarHBondContact CA-OG 3.39Å; S676-S679 PolarHBondContact O-OG 2.85Å; S676-A680 WeakPolarHBondContact O-CB 3.27Å; S676-A680 PolarHBondContact O-N 2.89Å |
| 677 | F | 85.1 | Confident | 86 | Confident | 137 Ų | 137 | 50.3 Ų | 50.3 | 60% | 0.601 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -71.3 | -45.5 | 177.2 | -178.3 | -97.6 | 0 | 0 | 0 | 111.3 | I674 V675 N681 | I674-F677 HydrophobicContact CG2-CB 4.44Å; I674-F677 PolarHBondContact O-N 3.26Å; V675-F677 VanDerWaalsContact C-N 3.35Å; V675-F677 PolarHBondContact O-N 3.05Å; F677-N681 VanDerWaalsContact O-CB 3.31Å; F677-N681 WeakPolarHBondContact O-CB 3.5Å; F677-N681 PolarHBondContact O-N 3.16Å |
| 678 | T | 84.8 | Confident | 86.2 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.012 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.9 | -41.9 | 177.7 | -55.4 | 0 | 0 | 0 | 0 | 111.3 | M425 L519 I674 V675 N681 C682 | M425-T678 HydrophobicContact SD-CG2 3.97Å; L519-T678 HydrophobicContact CD2-CG2 3.94Å; I674-T678 PolarHBondContact O-N 3.32Å; I674-T678 PolarHBondContact O-OG1 2.8Å; V675-T678 PolarHBondContact O-N 2.62Å; T678-N681 PolarHBondContact O-N 3.12Å; T678-C682 WeakPolarHBondContact O-CB 3.36Å; T678-C682 PolarHBondContact O-N 3.29Å; T678-C682 PolarHBondContact O-SG 3.42Å |
| 679 | S | 87.8 | Confident | 86.2 | Confident | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.014 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.1 | -43.1 | 176.4 | 65.5 | 0 | 0 | 0 | 0 | 112.1 | E418 V675 S676 C682 S683 | E418-S679 WeakPolarHBondContact CG-OG 3.28Å; E418-S679 WeakPolarHBondContact O-CB 3.39Å; V675-S679 VanDerWaalsContact O-CB 3.31Å; V675-S679 WeakPolarHBondContact O-CB 3.32Å; V675-S679 PolarHBondContact O-N 3.1Å; V675-S679 PolarHBondContact O-OG 2.87Å; S676-S679 WeakPolarHBondContact CA-OG 3.39Å; S676-S679 PolarHBondContact O-OG 2.85Å; S679-C682 PolarHBondContact O-N 2.8Å; S679-S683 WeakPolarHBondContact O-CB 3.29Å; S679-S683 PolarHBondContact O-N 3.27Å |
| 680 | A | 87.3 | Confident | 86.4 | Confident | 42 Ų | 42 | 52.6 Ų | 52.6 | 35% | 0.347 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65 | -39.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S676 S683 H684 | S676-A680 WeakPolarHBondContact O-CB 3.27Å; S676-A680 PolarHBondContact O-N 2.89Å; A680-S683 WeakPolarHBondContact O-CB 3.39Å; A680-S683 PolarHBondContact O-N 2.89Å; A680-H684 WeakPolarHBondContact O-CB 3.4Å; A680-H684 PolarHBondContact O-N 2.8Å |
| 681 | N | 88.3 | Confident | 86.7 | Confident | 55 Ų | 55 | 51.8 Ų | 51.8 | 29% | 0.294 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.9 | -41.1 | 176.1 | -169.5 | 30.2 | 0 | 0 | 0 | 111.9 | F677 T678 H684 Q685 | F677-N681 VanDerWaalsContact O-CB 3.31Å; F677-N681 WeakPolarHBondContact O-CB 3.5Å; F677-N681 PolarHBondContact O-N 3.16Å; T678-N681 PolarHBondContact O-N 3.12Å; N681-H684 PolarHBondContact O-N 3.36Å; N681-Q685 WeakPolarHBondContact O-CG 3.43Å; N681-Q685 PolarHBondContact O-N 2.92Å |
| 682 | C | 86.3 | Confident | 86.9 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.007 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63 | -42.2 | 172.6 | -74.3 | 0 | 0 | 0 | 0 | 112.5 | V417 V421 L515 T678 S679 Q685 V686 | V417-C682 HydrophobicContact CG1-CB 4.41Å; V421-C682 HydrophobicContact CG1-CB 4.36Å; V421-C682 HydrophobicContact CG2-CB 4.04Å; L515-C682 HydrophobicContact CD2-CB 3.9Å; L515-C682 HydrophobicContact CG-CB 4.49Å; T678-C682 WeakPolarHBondContact O-CB 3.36Å; T678-C682 PolarHBondContact O-N 3.29Å; T678-C682 PolarHBondContact O-SG 3.42Å; S679-C682 PolarHBondContact O-N 2.8Å; C682-Q685 PolarHBondContact O-N 3.24Å; C682-V686 PolarHBondContact O-N 2.91Å |
| 683 | S | 89.7 | Confident | 87 | Confident | 7 Ų | 7 | 50.6 Ų | 50.6 | 5% | 0.049 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.8 | -47.9 | 173.7 | -178.3 | 0 | 0 | 0 | 0 | 111 | S414 S679 A680 Q685 V686 Q687 | S414-S683 WeakPolarHBondContact CB-OG 3.21Å; S414-S683 PolarHBondContact O-OG 3.04Å; S414-S683 PolarHBondContact OG-O 2.81Å; S414-S683 PolarHBondContact OG-OG 2.86Å; S679-S683 WeakPolarHBondContact O-CB 3.29Å; S679-S683 PolarHBondContact O-N 3.27Å; A680-S683 WeakPolarHBondContact O-CB 3.39Å; A680-S683 PolarHBondContact O-N 2.89Å; S683-Q685 PolarHBondContact O-N 3.44Å; S683-V686 PolarHBondContact O-N 2.99Å; S683-Q687 WeakPolarHBondContact O-CB 3.48Å; S683-Q687 PolarHBondContact O-N 2.81Å |
| 684 | H | 89.1 | Confident | 87.2 | Confident | 105 Ų | 105 | 46.1 Ų | 46.1 | 49% | 0.486 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.5 | -39.5 | 177.7 | -169 | -78.8 | 0 | 0 | 0 | 113.1 | A680 N681 V686 Q687 Q688 | A680-H684 WeakPolarHBondContact O-CB 3.4Å; A680-H684 PolarHBondContact O-N 2.8Å; N681-H684 PolarHBondContact O-N 3.36Å; H684-V686 VanDerWaalsContact C-N 3.35Å; H684-V686 PolarHBondContact O-N 3.08Å; H684-Q687 PolarHBondContact O-N 3.33Å; H684-Q688 WeakPolarHBondContact O-CB 3.46Å; H684-Q688 PolarHBondContact O-N 2.81Å |
| 685 | Q | 89.5 | Confident | 87.4 | Confident | 32 Ų | 32 | 47 Ų | 47 | 15% | 0.15 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.4 | -45.6 | 173.6 | -76.6 | 174 | 56.4 | 0 | 0 | 111.6 | F513 L515 S516 N681 C682 S683 Q688 E689 | F513-Q685 HydrophobicContact CZ-CB 4.46Å; L515-Q685 HydrophobicContact CD1-CB 4.35Å; S516-Q685 PolarHBondContact O-NE2 3.1Å; S516-Q685 VanDerWaalsContact OG-CD 3.25Å; S516-Q685 PolarHBondContact OG-NE2 3.13Å; S516-Q685 PolarHBondContact OG-OE1 3.04Å; N681-Q685 WeakPolarHBondContact O-CG 3.43Å; N681-Q685 PolarHBondContact O-N 2.92Å; C682-Q685 PolarHBondContact O-N 3.24Å; S683-Q685 PolarHBondContact O-N 3.44Å; Q685-Q688 PolarHBondContact O-N 2.81Å; Q685-E689 PolarHBondContact O-N 3.32Å |
| 686 | V | 88.5 | Confident | 87.4 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.4 | -49 | 175.6 | 171.4 | 0 | 0 | 0 | 0 | 111 | I413 V417 I477 V481 F513 L515 C682 S683 H684 Q688 E689 M690 | I413-V686 HydrophobicContact CG2-CG1 3.9Å; V417-V686 HydrophobicContact CG1-CG2 4.1Å; V417-V686 HydrophobicContact CG2-CG1 4.36Å; V417-V686 HydrophobicContact CG2-CG2 4.1Å; I477-V686 HydrophobicContact CG2-CG2 3.98Å; V481-V686 HydrophobicContact CG2-CG1 3.83Å; V481-V686 HydrophobicContact CG2-CG2 4.29Å; F513-V686 HydrophobicContact CE1-CG2 3.57Å; F513-V686 HydrophobicContact CZ-CG2 3.68Å; L515-V686 HydrophobicContact CD1-CG2 3.98Å; C682-V686 PolarHBondContact O-N 2.91Å; S683-V686 PolarHBondContact O-N 2.99Å; H684-V686 VanDerWaalsContact C-N 3.35Å; H684-V686 PolarHBondContact O-N 3.08Å; V686-Q688 PolarHBondContact O-N 2.86Å; V686-E689 PolarHBondContact O-N 3.42Å; V686-M690 HydrophobicContact CG1-CG 4.11Å; V686-M690 HydrophobicContact CG1-SD 4.2Å; V686-M690 VanDerWaalsContact O-CG 3.27Å; V686-M690 WeakPolarHBondContact O-CG 3.48Å; V686-M690 PolarHBondContact O-N 3.23Å |
| 687 | Q | 90.1 | Very high | 87.4 | Confident | 90 Ų | 90 | 48.5 Ų | 48.5 | 42% | 0.421 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -54.2 | -42.7 | 178.5 | -171.6 | 179.9 | -2.6 | 0 | 0 | 111.8 | I410 S683 H684 A691 | I410-Q687 HydrophobicContact CG2-CG 3.93Å; S683-Q687 WeakPolarHBondContact O-CB 3.48Å; S683-Q687 PolarHBondContact O-N 2.81Å; H684-Q687 PolarHBondContact O-N 3.33Å; Q687-A691 WeakPolarHBondContact O-CB 3.47Å; Q687-A691 PolarHBondContact O-N 2.95Å |
| 688 | Q | 88.7 | Confident | 87.5 | Confident | 113 Ų | 113 | 43 Ų | 43 | 53% | 0.528 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -66.9 | -45.6 | -179.9 | -174.7 | 172 | -2.5 | 0 | 0 | 112.6 | H684 Q685 V686 A691 T692 | H684-Q688 WeakPolarHBondContact O-CB 3.46Å; H684-Q688 PolarHBondContact O-N 2.81Å; Q685-Q688 PolarHBondContact O-N 2.81Å; V686-Q688 PolarHBondContact O-N 2.86Å; Q688-A691 PolarHBondContact O-N 2.79Å; Q688-T692 VanDerWaalsContact O-CB 3.31Å; Q688-T692 WeakPolarHBondContact O-CB 3.47Å; Q688-T692 PolarHBondContact O-N 3.08Å; Q688-T692 PolarHBondContact O-OG1 3.05Å |
| 689 | E | 85.8 | Confident | 87.6 | Confident | 94 Ų | 94 | 48.3 Ų | 48.3 | 44% | 0.439 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.2 | -40.6 | 176.8 | -79.6 | -69.3 | 166.6 | 0 | 0 | 112.2 | F513 Q685 V686 T692 T693 | F513-E689 HydrophobicContact CD2-CB 4.42Å; F513-E689 HydrophobicContact CD2-CG 3.79Å; F513-E689 HydrophobicContact CE2-CB 4.26Å; F513-E689 HydrophobicContact CE2-CG 3.63Å; Q685-E689 PolarHBondContact O-N 3.32Å; V686-E689 PolarHBondContact O-N 3.42Å; E689-T692 PolarHBondContact O-N 3.1Å; E689-T693 WeakPolarHBondContact O-CB 3.01Å; E689-T693 PolarHBondContact O-N 2.89Å; E689-T693 PolarHBondContact O-OG1 3.32Å |
| 690 | M | 86.9 | Confident | 87.4 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68 | -42.6 | 176.8 | -60.4 | -151.8 | 87.6 | 0 | 0 | 112.1 | I410 I413 S484 Q485 M488 V686 T692 T693 F694 | I410-M690 HydrophobicContact CD1-CB 4.17Å; I410-M690 HydrophobicContact CG1-CB 3.91Å; I410-M690 HydrophobicContact CG2-CB 4.29Å; I413-M690 HydrophobicContact CB-SD 4.28Å; I413-M690 HydrophobicContact CD1-CE 3.87Å; I413-M690 HydrophobicContact CD1-SD 3.57Å; I413-M690 VanDerWaalsContact CD1-SD 3.57Å; I413-M690 HydrophobicContact CG2-SD 4.03Å; S484-M690 VanDerWaalsContact CB-CE 3.43Å; Q485-M690 HydrophobicContact CG-CE 4.23Å; M488-M690 HydrophobicContact CE-CB 4.49Å; M488-M690 HydrophobicContact CE-CE 3.34Å; M488-M690 HydrophobicContact CE-SD 4.31Å; M488-M690 HydrophobicContact SD-CE 4.37Å; V686-M690 HydrophobicContact CG1-CG 4.11Å; V686-M690 HydrophobicContact CG1-SD 4.2Å; V686-M690 VanDerWaalsContact O-CG 3.27Å; V686-M690 WeakPolarHBondContact O-CG 3.48Å; V686-M690 PolarHBondContact O-N 3.23Å; M690-T692 VanDerWaalsContact C-N 3.33Å; M690-T692 PolarHBondContact O-N 2.95Å; M690-T693 PolarHBondContact O-N 3.2Å; M690-F694 WeakPolarHBondContact O-CB 3.44Å; M690-F694 PolarHBondContact O-N 3.29Å |
| 691 | A | 89.1 | Confident | 87.4 | Confident | 44 Ų | 44 | 49 Ų | 49 | 36% | 0.364 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.1 | -38.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q687 Q688 F694 A695 | Q687-A691 WeakPolarHBondContact O-CB 3.47Å; Q687-A691 PolarHBondContact O-N 2.95Å; Q688-A691 PolarHBondContact O-N 2.79Å; A691-F694 PolarHBondContact O-N 3.04Å; A691-A695 WeakPolarHBondContact O-CB 3.43Å; A691-A695 PolarHBondContact O-N 2.85Å |
| 692 | T | 88.1 | Confident | 87.4 | Confident | 73 Ų | 73 | 49.5 Ų | 49.5 | 45% | 0.448 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -67.4 | -39.8 | 176.1 | -55.7 | 0 | 0 | 0 | 0 | 111.5 | Q688 E689 M690 R696 | Q688-T692 VanDerWaalsContact O-CB 3.31Å; Q688-T692 WeakPolarHBondContact O-CB 3.47Å; Q688-T692 PolarHBondContact O-N 3.08Å; Q688-T692 PolarHBondContact O-OG1 3.05Å; E689-T692 PolarHBondContact O-N 3.1Å; M690-T692 VanDerWaalsContact C-N 3.33Å; M690-T692 PolarHBondContact O-N 2.95Å; T692-R696 PolarHBondContact O-N 2.98Å |
| 693 | T | 85.2 | Confident | 87.4 | Confident | 14 Ų | 14 | 53 Ų | 53 | 9% | 0.086 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.3 | -48.2 | 173.9 | -53.5 | 0 | 0 | 0 | 0 | 110.7 | Q485 V508 E689 M690 R696 L697 | Q485-T693 HydrophobicContact CG-CG2 4.18Å; Q485-T693 PolarHBondContact NE2-OG1 2.99Å; Q485-T693 VanDerWaalsContact NE2-OG1 3.08Å; V508-T693 HydrophobicContact CG1-CG2 4.16Å; E689-T693 WeakPolarHBondContact O-CB 3.01Å; E689-T693 PolarHBondContact O-N 2.89Å; E689-T693 PolarHBondContact O-OG1 3.32Å; M690-T693 PolarHBondContact O-N 3.2Å; T693-R696 PolarHBondContact O-N 3.04Å; T693-L697 PolarHBondContact O-N 2.93Å |
| 694 | F | 87.9 | Confident | 87.3 | Confident | 24 Ų | 24 | 53.3 Ų | 53.3 | 11% | 0.105 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.7 | -46.2 | 178.5 | 176.2 | -118.8 | 0 | 0 | 0 | 112.2 | T403 I406 I410 M488 M492 M690 A691 R696 L697 C698 | T403-F694 HydrophobicContact CG2-CE1 4.18Å; T403-F694 HydrophobicContact CG2-CZ 3.94Å; I406-F694 HydrophobicContact CB-CD2 4.23Å; I406-F694 HydrophobicContact CB-CE2 4.12Å; I406-F694 HydrophobicContact CD1-CD2 3.8Å; I406-F694 HydrophobicContact CD1-CE2 3.61Å; I406-F694 HydrophobicContact CG1-CE2 4.46Å; I406-F694 HydrophobicContact CG2-CB 4.27Å; I406-F694 HydrophobicContact CG2-CD1 4.32Å; I406-F694 HydrophobicContact CG2-CD2 3.56Å; I406-F694 HydrophobicContact CG2-CE2 3.94Å; I406-F694 HydrophobicContact CG2-CG 3.77Å; I406-F694 HydrophobicContact CG2-CZ 4.47Å; I410-F694 HydrophobicContact CD1-CB 4.41Å; M488-F694 HydrophobicContact SD-CB 4.41Å; M492-F694 HydrophobicContact SD-CD2 4.21Å; M492-F694 HydrophobicContact SD-CE2 4.1Å; M690-F694 WeakPolarHBondContact O-CB 3.44Å; M690-F694 PolarHBondContact O-N 3.29Å; A691-F694 PolarHBondContact O-N 3.04Å; F694-R696 VanDerWaalsContact C-N 3.28Å; F694-R696 PolarHBondContact O-N 3.2Å; F694-L697 WeakPolarHBondContact O-CB 3.39Å; F694-L697 PolarHBondContact O-N 3.35Å; F694-C698 VanDerWaalsContact CE2-SG 3.51Å; F694-C698 WeakPolarHBondContact CZ-SG 3.38Å; F694-C698 PolarHBondContact O-N 2.84Å; F694-C698 PolarHBondContact O-SG 3.21Å |
| 695 | A | 88.1 | Confident | 87.4 | Confident | 57 Ų | 57 | 50.2 Ų | 50.2 | 47% | 0.471 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.6 | -37.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A691 C698 Q699 | A691-A695 WeakPolarHBondContact O-CB 3.43Å; A691-A695 PolarHBondContact O-N 2.85Å; A695-C698 PolarHBondContact O-N 3.25Å; A695-Q699 PolarHBondContact O-N 2.77Å |
| 696 | R | 84.7 | Confident | 87.5 | Confident | 118 Ų | 118 | 54.5 Ų | 54.5 | 45% | 0.445 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.9 | -35.2 | 174.3 | -177.5 | 174.7 | -67.6 | 168.7 | 4.4 | 112.6 | T692 T693 F694 | T692-R696 PolarHBondContact O-N 2.98Å; T693-R696 PolarHBondContact O-N 3.04Å; F694-R696 VanDerWaalsContact C-N 3.28Å; F694-R696 PolarHBondContact O-N 3.2Å |
| 697 | L | 84 | Confident | 87.6 | Confident | 7 Ų | 7 | 58 Ų | 58 | 4% | 0.037 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -71.6 | -41.3 | 175.4 | -67.1 | 170.6 | 0 | 0 | 0 | 111.5 | M488 M489 M492 V504 V508 T693 F694 Q699 Q700 V701 | M488-L697 HydrophobicContact CB-CD1 3.98Å; M489-L697 HydrophobicContact CG-CD1 4.18Å; M489-L697 HydrophobicContact CG-CD2 4.27Å; M492-L697 HydrophobicContact CE-CB 3.83Å; M492-L697 HydrophobicContact SD-CB 3.51Å; M492-L697 VanDerWaalsContact SD-CB 3.51Å; M492-L697 HydrophobicContact SD-CD1 4.1Å; M492-L697 HydrophobicContact SD-CG 4.41Å; V504-L697 HydrophobicContact CG1-CD2 4.42Å; V508-L697 HydrophobicContact CG2-CD2 3.96Å; T693-L697 PolarHBondContact O-N 2.93Å; F694-L697 WeakPolarHBondContact O-CB 3.39Å; F694-L697 PolarHBondContact O-N 3.35Å; L697-Q699 VanDerWaalsContact C-N 3.31Å; L697-Q699 PolarHBondContact O-N 2.69Å; L697-Q700 PolarHBondContact O-N 3.24Å; L697-Q700 VanDerWaalsContact O-N 3.14Å; L697-V701 PolarHBondContact O-N 3.48Å |
| 698 | C | 87.2 | Confident | 87.6 | Confident | 21 Ų | 21 | 54.5 Ų | 54.5 | 14% | 0.142 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -54.1 | -48.1 | 171.2 | -68.9 | 0 | 0 | 0 | 0 | 111.1 | F694 A695 Q700 V701 D702 | F694-C698 VanDerWaalsContact CE2-SG 3.51Å; F694-C698 WeakPolarHBondContact CZ-SG 3.38Å; F694-C698 PolarHBondContact O-N 2.84Å; F694-C698 PolarHBondContact O-SG 3.21Å; A695-C698 PolarHBondContact O-N 3.25Å; C698-Q700 PolarHBondContact O-N 2.99Å; C698-V701 CarbonylContact O-C 3.35Å; C698-V701 WeakPolarHBondContact O-CA 3.42Å; C698-V701 PolarHBondContact O-N 2.91Å; C698-D702 PolarHBondContact O-N 2.67Å |
| 699 | Q | 87.1 | Confident | 87.9 | Confident | 114 Ų | 114 | 51.5 Ų | 51.5 | 53% | 0.533 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -55 | -30.5 | 179.2 | -168.9 | -176.7 | 8 | 0 | 0 | 114 | A695 L697 Q703 | A695-Q699 PolarHBondContact O-N 2.77Å; L697-Q699 VanDerWaalsContact C-N 3.31Å; L697-Q699 PolarHBondContact O-N 2.69Å; Q699-Q703 PolarHBondContact O-N 3.24Å; Q699-Q703 VanDerWaalsContact O-N 3.14Å |
| 700 | Q | 83.4 | Confident | 88.3 | Confident | 60 Ų | 60 | 49.4 Ų | 49.4 | 28% | 0.28 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -76.8 | -36.8 | 175.7 | -62.2 | -61.9 | -44.2 | 0 | 0 | 112.4 | L496 L697 C698 Q703 T704 | L496-Q700 HydrophobicContact CD2-CB 3.95Å; L697-Q700 PolarHBondContact O-N 3.24Å; L697-Q700 VanDerWaalsContact O-N 3.14Å; C698-Q700 PolarHBondContact O-N 2.99Å; Q700-Q703 PolarHBondContact O-N 3.05Å; Q700-T704 PolarHBondContact O-N 3.31Å; Q700-T704 VanDerWaalsContact O-N 3.1Å; Q700-T704 PolarHBondContact O-OG1 3.43Å; Q700-T704 VanDerWaalsContact O-OG1 3.06Å |
| 701 | V | 87.4 | Confident | 88.6 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -70.7 | -39.5 | 172.9 | -175.4 | 0 | 0 | 0 | 0 | 110.2 | V395 L399 M492 L495 L496 L697 C698 Q703 T704 E705 | V395-V701 HydrophobicContact CG1-CG1 3.65Å; L399-V701 HydrophobicContact CD1-CB 4.3Å; L399-V701 HydrophobicContact CD1-CG1 4.2Å; L399-V701 HydrophobicContact CD1-CG2 4.5Å; L399-V701 HydrophobicContact CD2-CB 4.38Å; L399-V701 HydrophobicContact CD2-CG1 3.91Å; L399-V701 HydrophobicContact CG-CG1 4.43Å; M492-V701 HydrophobicContact CE-CB 4.49Å; M492-V701 HydrophobicContact CE-CG2 3.61Å; L495-V701 HydrophobicContact CB-CG1 4.44Å; L495-V701 HydrophobicContact CB-CG2 4.41Å; L496-V701 HydrophobicContact CD2-CG2 3.9Å; L496-V701 HydrophobicContact CG-CG2 4.48Å; L697-V701 PolarHBondContact O-N 3.48Å; C698-V701 CarbonylContact O-C 3.35Å; C698-V701 WeakPolarHBondContact O-CA 3.42Å; C698-V701 PolarHBondContact O-N 2.91Å; V701-Q703 PolarHBondContact O-N 3.28Å; V701-T704 CarbonylContact O-C 3.59Å; V701-T704 WeakPolarHBondContact O-CA 3.33Å; V701-T704 VanDerWaalsContact O-CB 3.3Å; V701-T704 WeakPolarHBondContact O-CB 3.43Å; V701-T704 PolarHBondContact O-N 2.83Å; V701-E705 PolarHBondContact O-N 3.05Å |
| 702 | D | 88.1 | Confident | 88.8 | Confident | 65 Ų | 65 | 52 Ų | 52 | 35% | 0.348 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.6 | -30 | 173.5 | -58.7 | -21.2 | 0 | 0 | 0 | 112.3 | C698 R706 | C698-D702 PolarHBondContact O-N 2.67Å; D702-R706 WeakPolarHBondContact O-CG 3.24Å; D702-R706 PolarHBondContact O-N 2.94Å; D702-R706 VanDerWaalsContact O-N 3.16Å; D702-R706 PolarHBondContact O-NE 2.9Å |
| 703 | Q | 87.9 | Confident | 89.1 | Confident | 75 Ų | 75 | 56.1 Ų | 56.1 | 35% | 0.35 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -70.1 | -47.2 | 171.6 | -175.4 | 62 | 51.3 | 0 | 0 | 110.6 | Q699 Q700 V701 E705 R706 D707 | Q699-Q703 PolarHBondContact O-N 3.24Å; Q699-Q703 VanDerWaalsContact O-N 3.14Å; Q700-Q703 PolarHBondContact O-N 3.05Å; V701-Q703 PolarHBondContact O-N 3.28Å; Q703-E705 VanDerWaalsContact C-N 3.26Å; Q703-E705 PolarHBondContact O-N 3.44Å; Q703-R706 VanDerWaalsContact CA-NH2 3.3Å; Q703-R706 PolarHBondContact O-N 3.47Å; Q703-R706 VanDerWaalsContact O-N 3.16Å; Q703-R706 VanDerWaalsContact OE1-CZ 3.26Å; Q703-R706 VanDerWaalsContact OE1-NH2 3.09Å; Q703-D707 PolarHBondContact NE2-OD1 2.96Å; Q703-D707 PolarHBondContact O-N 3.06Å |
| 704 | T | 87.4 | Confident | 89.5 | Confident | 13 Ų | 13 | 61.1 Ų | 61.1 | 8% | 0.08 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -56.6 | -41.9 | 174.3 | -56 | 0 | 0 | 0 | 0 | 111.5 | P497 Q700 V701 D707 L708 | P497-T704 VanDerWaalsContact CD-OG1 3.22Å; P497-T704 WeakPolarHBondContact CD-OG1 3.36Å; P497-T704 HydrophobicContact CG-CG2 4.42Å; Q700-T704 PolarHBondContact O-N 3.31Å; Q700-T704 VanDerWaalsContact O-N 3.1Å; Q700-T704 PolarHBondContact O-OG1 3.43Å; Q700-T704 VanDerWaalsContact O-OG1 3.06Å; V701-T704 CarbonylContact O-C 3.59Å; V701-T704 WeakPolarHBondContact O-CA 3.33Å; V701-T704 VanDerWaalsContact O-CB 3.3Å; V701-T704 WeakPolarHBondContact O-CB 3.43Å; V701-T704 PolarHBondContact O-N 2.83Å; T704-D707 PolarHBondContact O-N 3.23Å; T704-L708 HydrophobicContact CG2-CD1 4.24Å; T704-L708 VanDerWaalsContact O-CG 3.3Å; T704-L708 WeakPolarHBondContact O-CG 3.36Å; T704-L708 PolarHBondContact O-N 3.06Å |
| 705 | E | 90.3 | Very high | 89.8 | Confident | 39 Ų | 39 | 61.4 Ų | 61.4 | 18% | 0.182 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61 | -46.9 | 177 | -163.3 | -179 | 130 | 0 | 0 | 111.5 | L392 R396 V701 Q703 D707 L708 E709 | L392-E705 HydrophobicContact CD1-CB 4.41Å; L392-E705 HydrophobicContact CD1-CG 3.39Å; R396-E705 HydrophobicContact CG-CG 4.44Å; R396-E705 WeakPolarHBondContact CG-OE2 3.42Å; R396-E705 IonicContact CZ-OE1 2.64Å; R396-E705 VanDerWaalsContact NE-CD 3.29Å; R396-E705 IonicContact NE-OE1 2.84Å; R396-E705 PolarHBondContact NE-OE1 2.85Å; R396-E705 IonicContact NE-OE2 2.74Å; R396-E705 IonicContact NH2-OE1 3.97Å; R396-E705 PolarHBondContact NH2-OE1 2.96Å; V701-E705 PolarHBondContact O-N 3.05Å; Q703-E705 VanDerWaalsContact C-N 3.26Å; Q703-E705 PolarHBondContact O-N 3.44Å; E705-D707 PolarHBondContact O-N 2.86Å; E705-L708 PolarHBondContact O-N 3.04Å; E705-E709 PolarHBondContact O-N 2.8Å |
| 706 | R | 91.3 | Very high | 90 | Very high | 122 Ų | 122 | 60.8 Ų | 60.8 | 46% | 0.46 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65 | -36.2 | 176.8 | -76.9 | 176.5 | -76 | 123.8 | -0.9 | 112.7 | D702 Q703 E709 A710 | D702-R706 WeakPolarHBondContact O-CG 3.24Å; D702-R706 PolarHBondContact O-N 2.94Å; D702-R706 VanDerWaalsContact O-N 3.16Å; D702-R706 PolarHBondContact O-NE 2.9Å; Q703-R706 VanDerWaalsContact CA-NH2 3.3Å; Q703-R706 PolarHBondContact O-N 3.47Å; Q703-R706 VanDerWaalsContact O-N 3.16Å; Q703-R706 VanDerWaalsContact OE1-CZ 3.26Å; Q703-R706 VanDerWaalsContact OE1-NH2 3.09Å; R706-E709 PolarHBondContact O-N 3.25Å; R706-A710 WeakPolarHBondContact O-CB 3.31Å; R706-A710 PolarHBondContact O-N 3.2Å |
| 707 | D | 90.8 | Very high | 90.4 | Very high | 74 Ų | 74 | 58.5 Ų | 58.5 | 40% | 0.396 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -68.3 | -41.9 | 176.3 | -61.2 | -18.6 | 0 | 0 | 0 | 111 | Q703 T704 E705 A710 N711 | Q703-D707 PolarHBondContact NE2-OD1 2.96Å; Q703-D707 PolarHBondContact O-N 3.06Å; T704-D707 PolarHBondContact O-N 3.23Å; E705-D707 PolarHBondContact O-N 2.86Å; D707-A710 PolarHBondContact O-N 3.35Å; D707-N711 VanDerWaalsContact O-CG 3.24Å; D707-N711 PolarHBondContact O-N 3Å; D707-N711 PolarHBondContact O-ND2 3.26Å |
| 708 | L | 91.5 | Very high | 90.7 | Very high | 17 Ų | 17 | 59.6 Ų | 59.6 | 9% | 0.089 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 172.6 | -71 | 171.2 | 0 | 0 | 0 | 111.8 | R391 L392 T704 E705 A710 N711 I712 | R391-L708 HydrophobicContact CG-CD1 4.35Å; R391-L708 HydrophobicContact CG-CD2 4.4Å; L392-L708 HydrophobicContact CB-CB 4.42Å; L392-L708 HydrophobicContact CB-CD1 4.35Å; L392-L708 HydrophobicContact CD1-CB 4.18Å; L392-L708 HydrophobicContact CD1-CD1 4.36Å; T704-L708 HydrophobicContact CG2-CD1 4.24Å; T704-L708 VanDerWaalsContact O-CG 3.3Å; T704-L708 WeakPolarHBondContact O-CG 3.36Å; T704-L708 PolarHBondContact O-N 3.06Å; E705-L708 PolarHBondContact O-N 3.04Å; L708-A710 VanDerWaalsContact C-N 3.35Å; L708-A710 PolarHBondContact O-N 2.86Å; L708-N711 PolarHBondContact O-N 2.81Å; L708-I712 VanDerWaalsContact O-CG1 3.32Å; L708-I712 WeakPolarHBondContact O-CG1 3.36Å; L708-I712 PolarHBondContact O-N 3.33Å |
| 709 | E | 94.1 | Very high | 91 | Very high | 51 Ų | 51 | 58.9 Ų | 58.9 | 24% | 0.238 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 174.6 | -75.9 | -156.9 | 165.5 | 0 | 0 | 112.8 | L392 R396 E705 R706 I712 R713 | L392-E709 HydrophobicContact CD1-CG 4.45Å; L392-E709 HydrophobicContact CD2-CG 3.88Å; R396-E709 IonicContact CZ-OE1 3.61Å; R396-E709 IonicContact NH1-OE1 2.67Å; R396-E709 IonicContact NH2-OE1 3.39Å; R396-E709 PolarHBondContact NH2-OE1 2.98Å; E705-E709 PolarHBondContact O-N 2.8Å; R706-E709 PolarHBondContact O-N 3.25Å; E709-I712 PolarHBondContact O-N 3.21Å; E709-R713 VanDerWaalsContact O-CG 3.27Å; E709-R713 WeakPolarHBondContact O-CG 3.42Å; E709-R713 PolarHBondContact O-N 3.08Å; E709-R713 IonicContact OE2-CZ 3.55Å; E709-R713 IonicContact OE2-NH2 2.72Å; E709-R713 PolarHBondContact OE2-NH2 2.97Å |
| 710 | A | 94 | Very high | 91.2 | Very high | 50 Ų | 50 | 57.6 Ų | 57.6 | 41% | 0.413 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.6 | -45 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | R706 D707 L708 I712 R713 Q714 | R706-A710 WeakPolarHBondContact O-CB 3.31Å; R706-A710 PolarHBondContact O-N 3.2Å; D707-A710 PolarHBondContact O-N 3.35Å; L708-A710 VanDerWaalsContact C-N 3.35Å; L708-A710 PolarHBondContact O-N 2.86Å; A710-I712 PolarHBondContact O-N 2.96Å; A710-R713 PolarHBondContact O-N 3.29Å; A710-Q714 WeakPolarHBondContact O-CB 3.47Å; A710-Q714 PolarHBondContact O-N 2.91Å |
| 711 | N | 92.9 | Very high | 91.6 | Very high | 70 Ų | 70 | 58 Ų | 58 | 37% | 0.374 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.6 | -43.8 | 175.6 | -67.6 | -22.6 | 0 | 0 | 0 | 111.9 | D707 L708 R713 Q714 L715 | D707-N711 VanDerWaalsContact O-CG 3.24Å; D707-N711 PolarHBondContact O-N 3Å; D707-N711 PolarHBondContact O-ND2 3.26Å; L708-N711 PolarHBondContact O-N 2.81Å; N711-R713 PolarHBondContact O-N 3Å; N711-Q714 PolarHBondContact O-N 2.97Å; N711-L715 WeakPolarHBondContact O-CB 3.28Å; N711-L715 WeakPolarHBondContact O-CG 3.38Å; N711-L715 PolarHBondContact O-N 3.07Å |
| 712 | I | 94.4 | Very high | 91.8 | Very high | 27 Ų | 27 | 58.4 Ų | 58.4 | 14% | 0.138 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.8 | -41.3 | 176.7 | -68.8 | 162.9 | 0 | 0 | 0 | 111.5 | R385 Q388 R389 L392 L708 E709 A710 T716 | R385-I712 HydrophobicContact CG-CG2 4.15Å; Q388-I712 HydrophobicContact CB-CD1 4.25Å; Q388-I712 HydrophobicContact CB-CG1 3.72Å; R389-I712 HydrophobicContact CB-CD1 4.37Å; L392-I712 HydrophobicContact CB-CD1 4.29Å; L392-I712 HydrophobicContact CD2-CD1 3.66Å; L708-I712 VanDerWaalsContact O-CG1 3.32Å; L708-I712 WeakPolarHBondContact O-CG1 3.36Å; L708-I712 PolarHBondContact O-N 3.33Å; E709-I712 PolarHBondContact O-N 3.21Å; A710-I712 PolarHBondContact O-N 2.96Å; I712-T716 WeakPolarHBondContact O-CB 3.39Å; I712-T716 PolarHBondContact O-N 3.11Å; I712-T716 PolarHBondContact O-OG1 2.93Å |
| 713 | R | 94.4 | Very high | 92 | Very high | 160 Ų | 160 | 60.6 Ų | 60.6 | 60% | 0.604 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -67.1 | -39.4 | 176.7 | -67.4 | 171.2 | -160.1 | -166.3 | 8.7 | 111.9 | E709 A710 N711 T716 T717 | E709-R713 VanDerWaalsContact O-CG 3.27Å; E709-R713 WeakPolarHBondContact O-CG 3.42Å; E709-R713 PolarHBondContact O-N 3.08Å; E709-R713 IonicContact OE2-CZ 3.55Å; E709-R713 IonicContact OE2-NH2 2.72Å; E709-R713 PolarHBondContact OE2-NH2 2.97Å; A710-R713 PolarHBondContact O-N 3.29Å; N711-R713 PolarHBondContact O-N 3Å; R713-T716 PolarHBondContact O-N 3.49Å; R713-T717 PolarHBondContact O-N 3.2Å; R713-T717 PolarHBondContact O-OG1 2.92Å |
| 714 | Q | 93.1 | Very high | 92.2 | Very high | 119 Ų | 119 | 61.4 Ų | 61.4 | 56% | 0.556 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -64.9 | -47.6 | 175.2 | -177.2 | 177.6 | -6.3 | 0 | 0 | 111.6 | A710 N711 T716 T717 N718 | A710-Q714 WeakPolarHBondContact O-CB 3.47Å; A710-Q714 PolarHBondContact O-N 2.91Å; N711-Q714 PolarHBondContact O-N 2.97Å; Q714-T716 VanDerWaalsContact C-N 3.35Å; Q714-T716 PolarHBondContact O-N 3.26Å; Q714-T717 WeakPolarHBondContact O-CB 3.48Å; Q714-T717 PolarHBondContact O-N 2.85Å; Q714-N718 PolarHBondContact O-N 3.48Å |
| 715 | L | 93.1 | Very high | 92.4 | Very high | 31 Ų | 31 | 61.2 Ų | 61.2 | 16% | 0.162 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.4 | -42.9 | 175.8 | -74.1 | 167.4 | 0 | 0 | 0 | 111.7 | D384 R385 Q388 N711 T717 N718 I719 | D384-L715 HydrophobicContact CB-CD1 4.18Å; D384-L715 HydrophobicContact CB-CD2 4.35Å; R385-L715 HydrophobicContact CB-CB 4.06Å; R385-L715 HydrophobicContact CB-CD1 4.16Å; R385-L715 HydrophobicContact CG-CB 4.26Å; Q388-L715 HydrophobicContact CG-CD1 4.16Å; N711-L715 WeakPolarHBondContact O-CB 3.28Å; N711-L715 WeakPolarHBondContact O-CG 3.38Å; N711-L715 PolarHBondContact O-N 3.07Å; L715-T717 PolarHBondContact O-N 2.85Å; L715-N718 PolarHBondContact O-N 3.01Å; L715-N718 VanDerWaalsContact O-N 3.16Å; L715-I719 WeakPolarHBondContact O-CD1 3.4Å; L715-I719 VanDerWaalsContact O-CG1 3.31Å; L715-I719 WeakPolarHBondContact O-CG1 3.46Å; L715-I719 PolarHBondContact O-N 3.05Å |
| 716 | T | 93.9 | Very high | 92.4 | Very high | 43 Ų | 43 | 60.1 Ų | 60.1 | 26% | 0.264 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.1 | -48 | 174.9 | -55.6 | 0 | 0 | 0 | 0 | 111.2 | R385 I712 R713 Q714 N718 I719 D720 | R385-T716 WeakPolarHBondContact CD-OG1 3.48Å; I712-T716 WeakPolarHBondContact O-CB 3.39Å; I712-T716 PolarHBondContact O-N 3.11Å; I712-T716 PolarHBondContact O-OG1 2.93Å; R713-T716 PolarHBondContact O-N 3.49Å; Q714-T716 VanDerWaalsContact C-N 3.35Å; Q714-T716 PolarHBondContact O-N 3.26Å; T716-N718 PolarHBondContact O-N 3.34Å; T716-I719 WeakPolarHBondContact O-CB 3.38Å; T716-I719 PolarHBondContact O-N 3.17Å; T716-I719 VanDerWaalsContact O-N 3.12Å; T716-D720 VanDerWaalsContact O-CG 3.28Å; T716-D720 PolarHBondContact O-N 3.41Å |
| 717 | T | 92.4 | Very high | 92.5 | Very high | 70 Ų | 70 | 57.6 Ų | 57.6 | 43% | 0.429 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.7 | -34.5 | 176.3 | -53.2 | 0 | 0 | 0 | 0 | 112.5 | R713 Q714 L715 K721 | R713-T717 PolarHBondContact O-N 3.2Å; R713-T717 PolarHBondContact O-OG1 2.92Å; Q714-T717 WeakPolarHBondContact O-CB 3.48Å; Q714-T717 PolarHBondContact O-N 2.85Å; L715-T717 PolarHBondContact O-N 2.85Å; T717-K721 VanDerWaalsContact O-CG 3.31Å; T717-K721 WeakPolarHBondContact O-CG 3.2Å; T717-K721 PolarHBondContact O-N 3.02Å |
| 718 | N | 90.6 | Very high | 92.6 | Very high | 30 Ų | 30 | 56.3 Ų | 56.3 | 16% | 0.16 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -73.8 | -38.2 | 176.4 | -73.7 | -7.4 | 0 | 0 | 0 | 112.3 | Q714 L715 T716 K721 L722 | Q714-N718 PolarHBondContact O-N 3.48Å; L715-N718 PolarHBondContact O-N 3.01Å; L715-N718 VanDerWaalsContact O-N 3.16Å; T716-N718 PolarHBondContact O-N 3.34Å; N718-K721 PolarHBondContact O-N 3.06Å; N718-L722 WeakPolarHBondContact O-CD1 3.39Å; N718-L722 VanDerWaalsContact O-CG 3.29Å; N718-L722 WeakPolarHBondContact O-CG 3.42Å; N718-L722 PolarHBondContact O-N 2.9Å |
| 719 | I | 92.5 | Very high | 92.6 | Very high | 6 Ų | 6 | 55.5 Ų | 55.5 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.2 | -46.4 | 173 | -70.1 | 154.9 | 0 | 0 | 0 | 110.6 | R378 A381 L382 R385 L715 T716 K721 L722 E723 | R378-I719 HydrophobicContact CG-CG2 4.18Å; A381-I719 HydrophobicContact CB-CD1 4.43Å; A381-I719 HydrophobicContact CB-CG1 3.84Å; L382-I719 HydrophobicContact CD2-CD1 3.75Å; L382-I719 HydrophobicContact CD2-CG1 4.34Å; L382-I719 HydrophobicContact CD2-CG2 4.17Å; L382-I719 HydrophobicContact CG-CD1 4.03Å; L382-I719 HydrophobicContact CG-CG1 4.24Å; L382-I719 HydrophobicContact CG-CG2 4.43Å; R385-I719 HydrophobicContact CB-CD1 4.25Å; L715-I719 WeakPolarHBondContact O-CD1 3.4Å; L715-I719 VanDerWaalsContact O-CG1 3.31Å; L715-I719 WeakPolarHBondContact O-CG1 3.46Å; L715-I719 PolarHBondContact O-N 3.05Å; T716-I719 WeakPolarHBondContact O-CB 3.38Å; T716-I719 PolarHBondContact O-N 3.17Å; T716-I719 VanDerWaalsContact O-N 3.12Å; I719-K721 VanDerWaalsContact C-N 3.33Å; I719-K721 PolarHBondContact O-N 3.07Å; I719-L722 PolarHBondContact O-N 3.39Å; I719-L722 VanDerWaalsContact O-N 3.14Å; I719-E723 PolarHBondContact O-N 2.94Å |
| 720 | D | 92.6 | Very high | 92.5 | Very high | 87 Ų | 87 | 57.4 Ų | 57.4 | 47% | 0.465 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.6 | -42.3 | 178.6 | -60.8 | -20.8 | 0 | 0 | 0 | 111.3 | T716 E723 T724 | T716-D720 VanDerWaalsContact O-CG 3.28Å; T716-D720 PolarHBondContact O-N 3.41Å; D720-E723 PolarHBondContact O-N 3.17Å; D720-T724 PolarHBondContact O-N 3.32Å; D720-T724 PolarHBondContact O-OG1 2.94Å |
| 721 | K | 90.4 | Very high | 92.5 | Very high | 69 Ų | 69 | 58.3 Ų | 58.3 | 30% | 0.3 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 173.6 | -71 | 168.7 | -178.1 | 172.6 | 0 | 111.9 | L57 T717 N718 I719 E723 T724 V725 | L57-K721 HydrophobicContact CD2-CB 4Å; T717-K721 VanDerWaalsContact O-CG 3.31Å; T717-K721 WeakPolarHBondContact O-CG 3.2Å; T717-K721 PolarHBondContact O-N 3.02Å; N718-K721 PolarHBondContact O-N 3.06Å; I719-K721 VanDerWaalsContact C-N 3.33Å; I719-K721 PolarHBondContact O-N 3.07Å; K721-E723 VanDerWaalsContact C-N 3.31Å; K721-E723 PolarHBondContact O-N 3.09Å; K721-T724 PolarHBondContact O-N 3.25Å; K721-T724 PolarHBondContact O-OG1 2.96Å; K721-V725 WeakPolarHBondContact O-CG2 3.29Å; K721-V725 PolarHBondContact O-N 3.04Å |
| 722 | L | 91.7 | Very high | 92.5 | Very high | 8 Ų | 8 | 55 Ų | 55 | 4% | 0.042 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63 | -38.2 | 177 | -72.4 | 161.5 | 0 | 0 | 0 | 111.6 | L57 I60 A374 K377 R378 A381 N718 I719 V725 Q726 | L57-L722 HydrophobicContact CD2-CD2 3.73Å; L57-L722 HydrophobicContact CD2-CG 3.84Å; I60-L722 HydrophobicContact CD1-CD2 3.45Å; I60-L722 VanDerWaalsContact CD1-CD2 3.45Å; A374-L722 HydrophobicContact CB-CD2 4.42Å; K377-L722 HydrophobicContact CB-CD1 4.17Å; K377-L722 HydrophobicContact CB-CD2 4.05Å; R378-L722 HydrophobicContact CB-CB 4Å; R378-L722 HydrophobicContact CB-CD1 4.2Å; R378-L722 HydrophobicContact CG-CB 4.12Å; A381-L722 HydrophobicContact CB-CD1 4.49Å; N718-L722 WeakPolarHBondContact O-CD1 3.39Å; N718-L722 VanDerWaalsContact O-CG 3.29Å; N718-L722 WeakPolarHBondContact O-CG 3.42Å; N718-L722 PolarHBondContact O-N 2.9Å; I719-L722 PolarHBondContact O-N 3.39Å; I719-L722 VanDerWaalsContact O-N 3.14Å; L722-V725 PolarHBondContact O-N 3.3Å; L722-Q726 WeakPolarHBondContact O-CG 3.23Å; L722-Q726 PolarHBondContact O-N 3.35Å |
| 723 | E | 92.3 | Very high | 92.4 | Very high | 111 Ų | 111 | 57.6 Ų | 57.6 | 52% | 0.519 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.5 | -40.7 | 175.6 | -175.8 | 162.8 | -165.9 | 0 | 0 | 112.6 | I719 D720 K721 V725 Q726 S727 | I719-E723 PolarHBondContact O-N 2.94Å; D720-E723 PolarHBondContact O-N 3.17Å; K721-E723 VanDerWaalsContact C-N 3.31Å; K721-E723 PolarHBondContact O-N 3.09Å; E723-V725 VanDerWaalsContact C-N 3.35Å; E723-V725 PolarHBondContact O-N 3.49Å; E723-Q726 PolarHBondContact O-N 2.99Å; E723-S727 WeakPolarHBondContact O-CB 3.43Å; E723-S727 PolarHBondContact O-N 3.11Å |
| 724 | T | 91.8 | Very high | 92.3 | Very high | 93 Ų | 93 | 55.9 Ų | 55.9 | 57% | 0.571 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -63.7 | -38.9 | 173.4 | 56.9 | 0 | 0 | 0 | 0 | 112.2 | D720 K721 S727 C728 | D720-T724 PolarHBondContact O-N 3.32Å; D720-T724 PolarHBondContact O-OG1 2.94Å; K721-T724 PolarHBondContact O-N 3.25Å; K721-T724 PolarHBondContact O-OG1 2.96Å; T724-S727 PolarHBondContact O-N 2.96Å; T724-C728 WeakPolarHBondContact O-CB 3.38Å; T724-C728 PolarHBondContact O-N 3.07Å |
| 725 | V | 91.6 | Very high | 92.4 | Very high | 9 Ų | 9 | 53.8 Ų | 53.8 | 6% | 0.055 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.9 | -48.5 | 171.8 | 167.3 | 0 | 0 | 0 | 0 | 111.3 | F47 I51 L57 I370 A374 K721 L722 E723 S727 C728 S729 | F47-V725 HydrophobicContact CZ-CG1 4.17Å; F47-V725 WeakPolarHBondContact CZ-O 3.43Å; I51-V725 HydrophobicContact CD1-CG1 3.75Å; I51-V725 HydrophobicContact CD1-CG2 4.08Å; I51-V725 HydrophobicContact CG1-CG1 4.47Å; I51-V725 HydrophobicContact CG1-CG2 3.97Å; L57-V725 HydrophobicContact CD1-CG2 4.08Å; I370-V725 HydrophobicContact CG2-CG1 4.29Å; A374-V725 HydrophobicContact CB-CG1 3.86Å; K721-V725 WeakPolarHBondContact O-CG2 3.29Å; K721-V725 PolarHBondContact O-N 3.04Å; L722-V725 PolarHBondContact O-N 3.3Å; E723-V725 VanDerWaalsContact C-N 3.35Å; E723-V725 PolarHBondContact O-N 3.49Å; V725-S727 PolarHBondContact O-N 3.32Å; V725-C728 PolarHBondContact O-N 2.98Å; V725-S729 WeakPolarHBondContact O-CB 3.15Å; V725-S729 PolarHBondContact O-N 3.44Å |
| 726 | Q | 92 | Very high | 92.4 | Very high | 15 Ų | 15 | 52.3 Ų | 52.3 | 7% | 0.07 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.4 | -40.1 | 177 | -68.9 | -156.7 | -66.7 | 0 | 0 | 112.8 | N371 A374 L722 E723 K730 | N371-Q726 PolarHBondContact O-NE2 3.35Å; A374-Q726 HydrophobicContact CB-CG 3.82Å; L722-Q726 WeakPolarHBondContact O-CG 3.23Å; L722-Q726 PolarHBondContact O-N 3.35Å; E723-Q726 PolarHBondContact O-N 2.99Å; Q726-K730 WeakPolarHBondContact O-CB 3.28Å; Q726-K730 WeakPolarHBondContact O-CD 3.46Å; Q726-K730 WeakPolarHBondContact O-CG 3.33Å; Q726-K730 PolarHBondContact O-N 2.94Å |
| 727 | S | 93.1 | Very high | 92.4 | Very high | 70 Ų | 70 | 53.1 Ų | 53.1 | 49% | 0.49 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.3 | -47.4 | 179.3 | -172.8 | 0 | 0 | 0 | 0 | 112 | E723 T724 V725 K730 T731 | E723-S727 WeakPolarHBondContact O-CB 3.43Å; E723-S727 PolarHBondContact O-N 3.11Å; T724-S727 PolarHBondContact O-N 2.96Å; V725-S727 PolarHBondContact O-N 3.32Å; S727-K730 PolarHBondContact O-N 3.15Å; S727-T731 PolarHBondContact O-N 3.41Å; S727-T731 PolarHBondContact O-OG1 3.48Å |
| 728 | C | 92.1 | Very high | 92.6 | Very high | 46 Ų | 46 | 55 Ų | 55 | 31% | 0.311 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.1 | -42.9 | 178 | -168.3 | 0 | 0 | 0 | 0 | 111.6 | F47 T724 V725 K730 T731 L732 | F47-C728 HydrophobicContact CD2-CB 4.12Å; F47-C728 VanDerWaalsContact CD2-SG 3.54Å; F47-C728 HydrophobicContact CE2-CB 3.48Å; F47-C728 VanDerWaalsContact CE2-CB 3.48Å; F47-C728 VanDerWaalsContact CE2-SG 3.57Å; F47-C728 HydrophobicContact CZ-CB 3.97Å; T724-C728 WeakPolarHBondContact O-CB 3.38Å; T724-C728 PolarHBondContact O-N 3.07Å; V725-C728 PolarHBondContact O-N 2.98Å; C728-K730 PolarHBondContact O-N 3.04Å; C728-T731 WeakPolarHBondContact O-CB 3.29Å; C728-T731 PolarHBondContact O-N 3.36Å; C728-T731 VanDerWaalsContact O-N 3.09Å; C728-L732 WeakPolarHBondContact O-CG 3.49Å; C728-L732 PolarHBondContact O-N 3.02Å |
| 729 | S | 91.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.8 | -44.6 | 175.1 | 175.1 | 0 | 0 | 0 | 0 | 112.8 | M367 N371 V725 T731 L732 R733 | M367-S729 WeakPolarHBondContact CG-O 3.22Å; M367-S729 WeakPolarHBondContact CG-OG 3.47Å; M367-S729 PolarHBondContact O-OG 3.43Å; M367-S729 VanDerWaalsContact O-OG 3.11Å; M367-S729 VanDerWaalsContact SD-CA 3.58Å; M367-S729 PolarHBondContact SD-OG 3.47Å; N371-S729 WeakPolarHBondContact CB-OG 3.44Å; V725-S729 WeakPolarHBondContact O-CB 3.15Å; V725-S729 PolarHBondContact O-N 3.44Å; S729-T731 VanDerWaalsContact C-N 3.33Å; S729-T731 PolarHBondContact O-N 3.4Å; S729-L732 PolarHBondContact O-N 3.04Å; S729-R733 WeakPolarHBondContact O-CB 3.43Å; S729-R733 PolarHBondContact O-N 3.04Å |
| 730 | K | 92 | Very high | 92.8 | Very high | 91 Ų | 91 | 56.2 Ų | 56.2 | 40% | 0.396 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.5 | -42.9 | 172.6 | -72.7 | 165.3 | -172.7 | 171.1 | 0 | 111.9 | Q726 S727 C728 R733 H734 | Q726-K730 WeakPolarHBondContact O-CB 3.28Å; Q726-K730 WeakPolarHBondContact O-CD 3.46Å; Q726-K730 WeakPolarHBondContact O-CG 3.33Å; Q726-K730 PolarHBondContact O-N 2.94Å; S727-K730 PolarHBondContact O-N 3.15Å; C728-K730 PolarHBondContact O-N 3.04Å; K730-R733 PolarHBondContact O-N 2.72Å; K730-H734 PolarHBondContact O-CD2 3.01Å; K730-H734 PolarHBondContact O-N 2.58Å |
| 731 | T | 94 | Very high | 92.9 | Very high | 70 Ų | 70 | 58.4 Ų | 58.4 | 43% | 0.429 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.3 | -45.4 | 177.8 | -57 | 0 | 0 | 0 | 0 | 111.5 | S727 C728 S729 R733 H734 K735 | S727-T731 PolarHBondContact O-N 3.41Å; S727-T731 PolarHBondContact O-OG1 3.48Å; C728-T731 WeakPolarHBondContact O-CB 3.29Å; C728-T731 PolarHBondContact O-N 3.36Å; C728-T731 VanDerWaalsContact O-N 3.09Å; S729-T731 VanDerWaalsContact C-N 3.33Å; S729-T731 PolarHBondContact O-N 3.4Å; T731-R733 VanDerWaalsContact C-N 3.34Å; T731-R733 PolarHBondContact O-N 3.02Å; T731-H734 PolarHBondContact O-N 2.9Å; T731-K735 PolarHBondContact O-N 3.11Å |
| 732 | L | 93.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.5 | -37.5 | 175.2 | -69.7 | 172.9 | 0 | 0 | 0 | 112 | Y40 E43 F47 M367 C728 S729 K735 A736 | Y40-L732 HydrophobicContact CD2-CD2 4.22Å; Y40-L732 HydrophobicContact CE2-CB 4.06Å; Y40-L732 HydrophobicContact CE2-CD2 3.98Å; Y40-L732 WeakPolarHBondContact CE2-O 3.41Å; Y40-L732 PolarHBondContact OH-O 3.12Å; E43-L732 HydrophobicContact CG-CD2 3.98Å; F47-L732 HydrophobicContact CB-CD1 3.99Å; F47-L732 HydrophobicContact CD1-CD1 3.56Å; F47-L732 HydrophobicContact CE1-CD1 4.11Å; F47-L732 HydrophobicContact CG-CD1 3.8Å; M367-L732 HydrophobicContact CE-CB 3.96Å; M367-L732 HydrophobicContact CE-CD1 3.5Å; M367-L732 HydrophobicContact CE-CG 4.37Å; M367-L732 HydrophobicContact CG-CB 4.25Å; M367-L732 HydrophobicContact SD-CB 4.15Å; M367-L732 HydrophobicContact SD-CD1 4.04Å; C728-L732 WeakPolarHBondContact O-CG 3.49Å; C728-L732 PolarHBondContact O-N 3.02Å; S729-L732 PolarHBondContact O-N 3.04Å; L732-K735 HydrophobicContact CD2-CD 4.41Å; L732-K735 PolarHBondContact O-N 3.07Å; L732-A736 PolarHBondContact O-N 2.82Å |
| 733 | R | 92.1 | Very high | 93.2 | Very high | 81 Ų | 81 | 57.1 Ų | 57.1 | 31% | 0.306 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.5 | -35.1 | 174.8 | -165.4 | -179.8 | 70.4 | 171.8 | 4.2 | 113 | K364 D368 S729 K730 T731 A736 T737 | K364-R733 HydrophobicContact CG-CG 4.26Å; D368-R733 WeakPolarHBondContact OD1-CD 3.39Å; D368-R733 IonicContact OD1-CZ 2.8Å; D368-R733 IonicContact OD1-NE 2.68Å; D368-R733 IonicContact OD1-NH1 3.78Å; D368-R733 PolarHBondContact OD1-NH1 2.74Å; S729-R733 WeakPolarHBondContact O-CB 3.43Å; S729-R733 PolarHBondContact O-N 3.04Å; K730-R733 PolarHBondContact O-N 2.72Å; T731-R733 VanDerWaalsContact C-N 3.34Å; T731-R733 PolarHBondContact O-N 3.02Å; R733-A736 PolarHBondContact O-N 2.69Å; R733-T737 PolarHBondContact O-N 3.43Å; R733-T737 VanDerWaalsContact O-N 3.12Å; R733-T737 PolarHBondContact O-OG1 3.04Å |
| 734 | H | 92.9 | Very high | 93.3 | Very high | 124 Ų | 124 | 57.2 Ų | 57.2 | 57% | 0.574 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -65.5 | -46.5 | 172.4 | -74.4 | -61.8 | 0 | 0 | 0 | 111.3 | K730 T731 A736 T737 E738 | K730-H734 PolarHBondContact O-CD2 3.01Å; K730-H734 PolarHBondContact O-N 2.58Å; T731-H734 PolarHBondContact O-N 2.9Å; H734-A736 VanDerWaalsContact C-N 3.32Å; H734-A736 PolarHBondContact O-N 2.88Å; H734-T737 PolarHBondContact O-N 2.93Å; H734-T737 VanDerWaalsContact O-N 3.12Å; H734-E738 PolarHBondContact O-N 3.33Å |
| 735 | K | 93.9 | Very high | 93.4 | Very high | 74 Ų | 74 | 57.7 Ų | 57.7 | 32% | 0.322 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -55.4 | -43.8 | 172.7 | -72.3 | 177.4 | 172.6 | -179 | 0 | 112.4 | Y40 E43 T731 L732 T737 E738 L739 | Y40-K735 HydrophobicContact CD2-CB 3.93Å; Y40-K735 HydrophobicContact CD2-CD 4.42Å; Y40-K735 HydrophobicContact CE2-CB 4.17Å; E43-K735 IonicContact OE1-NZ 3.16Å; E43-K735 PolarHBondContact OE1-NZ 3.26Å; E43-K735 IonicContact OE2-NZ 3.72Å; E43-K735 PolarHBondContact OE2-NZ 3.38Å; T731-K735 PolarHBondContact O-N 3.11Å; L732-K735 HydrophobicContact CD2-CD 4.41Å; L732-K735 PolarHBondContact O-N 3.07Å; K735-T737 VanDerWaalsContact C-N 3.33Å; K735-T737 PolarHBondContact O-N 3.49Å; K735-E738 PolarHBondContact O-N 2.99Å; K735-L739 WeakPolarHBondContact O-CG 3.34Å; K735-L739 PolarHBondContact O-N 3.29Å |
| 736 | A | 94 | Very high | 93.4 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.5 | -43.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y40 I360 K364 L732 R733 H734 L739 E740 | Y40-A736 HydrophobicContact CE1-CB 4.14Å; Y40-A736 HydrophobicContact CE2-CB 4.41Å; I360-A736 HydrophobicContact CG2-CB 4.14Å; K364-A736 HydrophobicContact CB-CB 4.4Å; K364-A736 HydrophobicContact CG-CB 4.48Å; L732-A736 PolarHBondContact O-N 2.82Å; R733-A736 PolarHBondContact O-N 2.69Å; H734-A736 VanDerWaalsContact C-N 3.32Å; H734-A736 PolarHBondContact O-N 2.88Å; A736-L739 PolarHBondContact O-N 3.03Å; A736-E740 WeakPolarHBondContact O-CB 3.38Å; A736-E740 PolarHBondContact O-N 3.25Å |
| 737 | T | 94.3 | Very high | 93.4 | Very high | 60 Ų | 60 | 58 Ų | 58 | 37% | 0.368 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -70.2 | -34.9 | -178.5 | -50.7 | 0 | 0 | 0 | 0 | 111.7 | R733 H734 K735 Q741 | R733-T737 PolarHBondContact O-N 3.43Å; R733-T737 VanDerWaalsContact O-N 3.12Å; R733-T737 PolarHBondContact O-OG1 3.04Å; H734-T737 PolarHBondContact O-N 2.93Å; H734-T737 VanDerWaalsContact O-N 3.12Å; K735-T737 VanDerWaalsContact C-N 3.33Å; K735-T737 PolarHBondContact O-N 3.49Å; T737-Q741 WeakPolarHBondContact O-CB 3.47Å; T737-Q741 PolarHBondContact O-N 2.71Å |
| 738 | E | 94.9 | Very high | 93.3 | Very high | 111 Ų | 111 | 62 Ų | 62 | 52% | 0.519 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.2 | -46.4 | 172.9 | -170.3 | -176.7 | 168.2 | 0 | 0 | 111.6 | H734 K735 E740 Q741 Q742 | H734-E738 PolarHBondContact O-N 3.33Å; K735-E738 PolarHBondContact O-N 2.99Å; E738-E740 VanDerWaalsContact C-N 3.33Å; E738-E740 PolarHBondContact O-N 2.88Å; E738-Q741 PolarHBondContact O-N 2.95Å; E738-Q742 WeakPolarHBondContact O-CG 3.47Å; E738-Q742 PolarHBondContact O-N 2.95Å; E738-Q742 PolarHBondContact OE1-NE2 3.13Å |
| 739 | L | 94.8 | Very high | 93.2 | Very high | 12 Ų | 12 | 64 Ų | 64 | 6% | 0.063 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.4 | -37.9 | 176.4 | -70.3 | 170.9 | 0 | 0 | 0 | 112.5 | Q36 L37 Y40 I360 K735 A736 Q742 L743 | Q36-L739 HydrophobicContact CB-CD2 3.83Å; L37-L739 HydrophobicContact CD1-CD1 4.21Å; Y40-L739 HydrophobicContact CD1-CD1 4.02Å; Y40-L739 HydrophobicContact CG-CD1 3.9Å; I360-L739 HydrophobicContact CD1-CB 4.03Å; K735-L739 WeakPolarHBondContact O-CG 3.34Å; K735-L739 PolarHBondContact O-N 3.29Å; A736-L739 PolarHBondContact O-N 3.03Å; L739-Q742 PolarHBondContact O-N 2.9Å; L739-L743 WeakPolarHBondContact O-CG 3.38Å; L739-L743 PolarHBondContact O-N 2.93Å |
| 740 | E | 94.2 | Very high | 93 | Very high | 48 Ų | 48 | 65.2 Ų | 65.2 | 22% | 0.224 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.8 | -48.3 | 173.3 | -172.5 | 171.6 | -155.4 | 0 | 0 | 111 | I360 K364 A736 E738 Q742 L743 E744 | I360-E740 HydrophobicContact CG2-CB 4.28Å; K364-E740 IonicContact NZ-OE1 2.83Å; K364-E740 IonicContact NZ-OE2 3.31Å; K364-E740 PolarHBondContact NZ-OE2 2.89Å; A736-E740 WeakPolarHBondContact O-CB 3.38Å; A736-E740 PolarHBondContact O-N 3.25Å; E738-E740 VanDerWaalsContact C-N 3.33Å; E738-E740 PolarHBondContact O-N 2.88Å; E740-Q742 PolarHBondContact O-N 2.99Å; E740-L743 PolarHBondContact O-N 3Å; E740-E744 PolarHBondContact O-N 3.08Å |
| 741 | Q | 94.8 | Very high | 92.6 | Very high | 133 Ų | 133 | 61.5 Ų | 61.5 | 62% | 0.621 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -61.8 | -42.4 | 175.6 | -176 | -179.7 | -2.6 | 0 | 0 | 112.4 | T737 E738 L743 E744 E745 | T737-Q741 WeakPolarHBondContact O-CB 3.47Å; T737-Q741 PolarHBondContact O-N 2.71Å; E738-Q741 PolarHBondContact O-N 2.95Å; Q741-L743 VanDerWaalsContact C-N 3.34Å; Q741-L743 PolarHBondContact O-N 3.24Å; Q741-E744 WeakPolarHBondContact O-CB 3.34Å; Q741-E744 PolarHBondContact O-N 2.85Å; Q741-E745 PolarHBondContact O-N 3.28Å |
| 742 | Q | 94.5 | Very high | 91.9 | Very high | 45 Ų | 45 | 63.5 Ų | 63.5 | 21% | 0.21 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.6 | -35 | 177.8 | -68.1 | 178.2 | 20.9 | 0 | 0 | 112.3 | L33 E738 L739 E740 F746 | L33-Q742 HydrophobicContact CD2-CB 3.61Å; L33-Q742 HydrophobicContact CD2-CG 4.4Å; E738-Q742 WeakPolarHBondContact O-CG 3.47Å; E738-Q742 PolarHBondContact O-N 2.95Å; E738-Q742 PolarHBondContact OE1-NE2 3.13Å; L739-Q742 PolarHBondContact O-N 2.9Å; E740-Q742 PolarHBondContact O-N 2.99Å; Q742-F746 WeakPolarHBondContact O-CB 3.49Å; Q742-F746 PolarHBondContact O-N 3.08Å |
| 743 | L | 93.5 | Very high | 90.2 | Very high | 5 Ų | 5 | 68.2 Ų | 68.2 | 3% | 0.026 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -71.3 | -33 | 172.3 | -74.5 | 167 | 0 | 0 | 0 | 112.6 | I30 L33 T353 A356 K357 I360 L739 E740 Q741 T747 | I30-L743 HydrophobicContact CD1-CD2 3.8Å; L33-L743 HydrophobicContact CD1-CD2 4.08Å; T353-L743 HydrophobicContact CG2-CD2 4.25Å; A356-L743 HydrophobicContact CB-CD1 3.9Å; A356-L743 HydrophobicContact CB-CD2 4.46Å; K357-L743 HydrophobicContact CG-CB 4.32Å; K357-L743 HydrophobicContact CG-CD1 4.25Å; I360-L743 HydrophobicContact CD1-CD1 3.39Å; L739-L743 WeakPolarHBondContact O-CG 3.38Å; L739-L743 PolarHBondContact O-N 2.93Å; E740-L743 PolarHBondContact O-N 3Å; Q741-L743 VanDerWaalsContact C-N 3.34Å; Q741-L743 PolarHBondContact O-N 3.24Å; L743-T747 WeakPolarHBondContact O-CB 3.44Å; L743-T747 PolarHBondContact O-N 3.25Å; L743-T747 PolarHBondContact O-OG1 3.3Å |
| 744 | E | 93.3 | Very high | 88.2 | Confident | 114 Ų | 114 | 72 Ų | 72 | 53% | 0.533 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.8 | -44.5 | 169.9 | -75 | -165.9 | 150.8 | 0 | 0 | 112.5 | E740 Q741 F746 T747 K748 | E740-E744 PolarHBondContact O-N 3.08Å; Q741-E744 WeakPolarHBondContact O-CB 3.34Å; Q741-E744 PolarHBondContact O-N 2.85Å; E744-F746 VanDerWaalsContact C-N 3.33Å; E744-F746 PolarHBondContact O-N 3.13Å; E744-T747 WeakPolarHBondContact O-CB 3.36Å; E744-T747 PolarHBondContact O-N 3.19Å; E744-T747 VanDerWaalsContact O-N 3.12Å; E744-K748 WeakPolarHBondContact O-CB 3.48Å; E744-K748 PolarHBondContact O-N 3.01Å |
| 745 | E | 93.4 | Very high | 85.4 | Confident | 103 Ų | 103 | 73.4 Ų | 73.4 | 48% | 0.481 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.5 | -44.8 | 174.1 | -166 | -160.6 | 113.6 | 0 | 0 | 110.9 | K29 Q741 T747 K748 Q749 | K29-E745 IonicContact NZ-OE1 3.48Å; K29-E745 PolarHBondContact NZ-OE1 3.14Å; Q741-E745 PolarHBondContact O-N 3.28Å; E745-T747 VanDerWaalsContact C-N 3.34Å; E745-T747 PolarHBondContact O-N 3.36Å; E745-K748 PolarHBondContact O-N 3.41Å; E745-Q749 WeakPolarHBondContact O-CB 3.39Å; E745-Q749 PolarHBondContact O-N 2.94Å |
| 746 | F | 93.4 | Very high | 82.6 | Confident | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -58.4 | -44.9 | 172.6 | -179 | -93 | 0 | 0 | 0 | 111.9 | A26 K29 I30 L33 F349 T353 Q742 E744 K748 Q749 Y750 L751 | A26-F746 HydrophobicContact CB-CE2 4.12Å; A26-F746 HydrophobicContact CB-CZ 4.33Å; A26-F746 WeakPolarHBondContact O-CE2 3.13Å; K29-F746 HydrophobicContact CB-CD2 4.41Å; K29-F746 HydrophobicContact CD-CD2 4.26Å; K29-F746 HydrophobicContact CG-CD2 4.21Å; I30-F746 HydrophobicContact CB-CD2 4.47Å; I30-F746 HydrophobicContact CB-CE1 4.31Å; I30-F746 HydrophobicContact CB-CE2 3.87Å; I30-F746 HydrophobicContact CB-CZ 3.78Å; I30-F746 HydrophobicContact CD1-CD1 3.93Å; I30-F746 HydrophobicContact CD1-CE1 3.93Å; I30-F746 HydrophobicContact CD1-CG 4.26Å; I30-F746 HydrophobicContact CD1-CZ 4.27Å; I30-F746 HydrophobicContact CG1-CE1 4.21Å; I30-F746 HydrophobicContact CG1-CZ 4.17Å; I30-F746 HydrophobicContact CG2-CZ 4.41Å; L33-F746 HydrophobicContact CD1-CB 4.16Å; F349-F746 HydrophobicContact CB-CE1 4.19Å; F349-F746 HydrophobicContact CB-CZ 4.26Å; F349-F746 HydrophobicContact CD2-CZ 4.26Å; F349-F746 HydrophobicContact CG-CZ 4.5Å; T353-F746 HydrophobicContact CG2-CD1 4.4Å; Q742-F746 WeakPolarHBondContact O-CB 3.49Å; Q742-F746 PolarHBondContact O-N 3.08Å; E744-F746 VanDerWaalsContact C-N 3.33Å; E744-F746 PolarHBondContact O-N 3.13Å; F746-K748 VanDerWaalsContact C-N 3.35Å; F746-K748 PolarHBondContact O-N 3.39Å; F746-Q749 PolarHBondContact O-N 3.02Å; F746-Y750 AromaticContact CD2-CD2 3.47Å; F746-Y750 HydrophobicContact CD2-CD2 3.47Å; F746-Y750 VanDerWaalsContact CD2-CD2 3.47Å; F746-Y750 AromaticContact CD2-CE2 3.99Å; F746-Y750 HydrophobicContact CD2-CE2 3.99Å; F746-Y750 HydrophobicContact CD2-CG 4.25Å; F746-Y750 AromaticContact CE2-CD2 3.61Å; F746-Y750 HydrophobicContact CE2-CD2 3.61Å; F746-Y750 HydrophobicContact CE2-CE2 4.2Å; F746-Y750 AromaticContact CE2-CG 3.97Å; F746-Y750 HydrophobicContact CE2-CG 3.97Å; F746-Y750 HydrophobicContact CG-CD2 4.16Å; F746-Y750 HydrophobicContact CZ-CD2 4.4Å; F746-Y750 HydrophobicContact CZ-CG 4.4Å; F746-Y750 WeakPolarHBondContact O-CB 3.43Å; F746-Y750 PolarHBondContact O-N 2.93Å; F746-L751 HydrophobicContact CD1-CD1 4.21Å; F746-L751 HydrophobicContact CE1-CD1 4Å; F746-L751 HydrophobicContact CE1-CG 4.12Å |
| 747 | T | 91.6 | Very high | 79.4 | Confident | 30 Ų | 30 | 78.8 Ų | 78.8 | 18% | 0.184 | 41% | 0.412 | C | S | . | . | I | π-helix | trans | -59.1 | -46.8 | 177.7 | -51.8 | 0 | 0 | 0 | 0 | 110.9 | K357 L743 E744 E745 L751 Q752 | K357-T747 PolarHBondContact NZ-OG1 3.32Å; L743-T747 WeakPolarHBondContact O-CB 3.44Å; L743-T747 PolarHBondContact O-N 3.25Å; L743-T747 PolarHBondContact O-OG1 3.3Å; E744-T747 WeakPolarHBondContact O-CB 3.36Å; E744-T747 PolarHBondContact O-N 3.19Å; E744-T747 VanDerWaalsContact O-N 3.12Å; E745-T747 VanDerWaalsContact C-N 3.34Å; E745-T747 PolarHBondContact O-N 3.36Å; T747-L751 HydrophobicContact CG2-CB 4.2Å; T747-L751 HydrophobicContact CG2-CD1 4.35Å; T747-L751 CarbonylContact O-C 3.59Å; T747-L751 WeakPolarHBondContact O-CA 3.31Å; T747-L751 WeakPolarHBondContact O-CB 3.4Å; T747-L751 PolarHBondContact O-N 3.35Å; T747-Q752 PolarHBondContact O-N 3.37Å |
| 748 | K | 90.5 | Very high | 76.3 | Confident | 155 Ų | 155 | 82.9 Ų | 82.9 | 67% | 0.674 | 44% | 0.436 | S | S | * | . | I | π-helix | trans | -68.8 | -34.8 | -179.8 | -175.5 | 174.1 | -177.1 | 179.1 | 0 | 113.2 | E744 E745 F746 | E744-K748 WeakPolarHBondContact O-CB 3.48Å; E744-K748 PolarHBondContact O-N 3.01Å; E745-K748 PolarHBondContact O-N 3.41Å; F746-K748 VanDerWaalsContact C-N 3.35Å; F746-K748 PolarHBondContact O-N 3.39Å |
| 749 | Q | 89.7 | Confident | 73 | Confident | 88 Ų | 88 | 86.8 Ų | 86.8 | 41% | 0.411 | 47% | 0.473 | S | S | . | . | I | π-helix | trans | -82.6 | -30.4 | -176.5 | -173.5 | 177 | 17.8 | 0 | 0 | 113.5 | E745 F746 | E745-Q749 WeakPolarHBondContact O-CB 3.39Å; E745-Q749 PolarHBondContact O-N 2.94Å; F746-Q749 PolarHBondContact O-N 3.02Å |
| 750 | Y | 87.1 | Confident | 72 | Confident | 24 Ų | 24 | 90.5 Ų | 90.5 | 9% | 0.094 | 49% | 0.494 | C | S | . | . | I | π-helix | trans | -127.6 | -25 | -168 | -65.7 | -79.6 | 0 | 0 | 0 | 115.5 | H22 V25 A26 K29 V345 F746 | H22-Y750 AromaticContact CE1-CD1 3.32Å; H22-Y750 WeakPolarHBondContact CE1-CD1 3.33Å; H22-Y750 AromaticContact CE1-CE1 3.64Å; H22-Y750 AromaticContact ND1-CD1 3.95Å; H22-Y750 AromaticContact ND1-CE1 3.84Å; H22-Y750 AromaticContact NE2-CD1 3.53Å; V25-Y750 WeakPolarHBondContact CG1-OH 3.3Å; A26-Y750 HydrophobicContact CB-CD1 3.53Å; A26-Y750 HydrophobicContact CB-CE1 3.78Å; A26-Y750 HydrophobicContact CB-CG 4.06Å; K29-Y750 HydrophobicContact CD-CE2 3.93Å; V345-Y750 WeakPolarHBondContact CG1-O 3.38Å; F746-Y750 AromaticContact CD2-CD2 3.47Å; F746-Y750 HydrophobicContact CD2-CD2 3.47Å; F746-Y750 VanDerWaalsContact CD2-CD2 3.47Å; F746-Y750 AromaticContact CD2-CE2 3.99Å; F746-Y750 HydrophobicContact CD2-CE2 3.99Å; F746-Y750 HydrophobicContact CD2-CG 4.25Å; F746-Y750 AromaticContact CE2-CD2 3.61Å; F746-Y750 HydrophobicContact CE2-CD2 3.61Å; F746-Y750 HydrophobicContact CE2-CE2 4.2Å; F746-Y750 AromaticContact CE2-CG 3.97Å; F746-Y750 HydrophobicContact CE2-CG 3.97Å; F746-Y750 HydrophobicContact CG-CD2 4.16Å; F746-Y750 HydrophobicContact CZ-CD2 4.4Å; F746-Y750 HydrophobicContact CZ-CG 4.4Å; F746-Y750 WeakPolarHBondContact O-CB 3.43Å; F746-Y750 PolarHBondContact O-N 2.93Å |
| 751 | L | 84.3 | Confident | 70.8 | Confident | 14 Ų | 14 | 92.7 Ų | 92.7 | 7% | 0.073 | 51% | 0.508 | C | S | . | . | I | π-helix | trans | -110.1 | -30.1 | -172.7 | -63.6 | 175.3 | 0 | 0 | 0 | 114 | V345 F349 E350 T353 F746 T747 | V345-L751 HydrophobicContact CG1-CD2 4.05Å; F349-L751 HydrophobicContact CB-CD2 4.46Å; E350-L751 HydrophobicContact CB-CD1 4.48Å; E350-L751 HydrophobicContact CB-CD2 4.16Å; T353-L751 HydrophobicContact CG2-CD1 4.09Å; F746-L751 HydrophobicContact CD1-CD1 4.21Å; F746-L751 HydrophobicContact CE1-CD1 4Å; F746-L751 HydrophobicContact CE1-CG 4.12Å; T747-L751 HydrophobicContact CG2-CB 4.2Å; T747-L751 HydrophobicContact CG2-CD1 4.35Å; T747-L751 CarbonylContact O-C 3.59Å; T747-L751 WeakPolarHBondContact O-CA 3.31Å; T747-L751 WeakPolarHBondContact O-CB 3.4Å; T747-L751 PolarHBondContact O-N 3.35Å |
| 752 | Q | 78.5 | Confident | 69.5 | Low | 111 Ų | 111 | 90.5 Ų | 90.5 | 52% | 0.519 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -67.7 | 137.9 | 169.2 | -73 | -175.9 | -19.4 | 0 | 0 | 109.3 | T747 Q754 | T747-Q752 PolarHBondContact O-N 3.37Å; Q752-Q754 PolarHBondContact O-N 3.29Å |
| 753 | P | 58.2 | Low | 68 | Low | 101 Ų | 101 | 93.2 Ų | 93.2 | 66% | 0.656 | 52% | 0.519 | S | S | * | . | trans | -58 | 127.8 | 167.7 | 26.8 | -32.2 | 0 | 0 | 0 | 107.3 | D755 | P753-D755 PolarHBondContact O-N 3.2Å; P753-D755 VanDerWaalsContact O-N 3.08Å | ||
| 754 | Q | 49.6 | Very low | 66.4 | Low | 159 Ų | 159 | 98.7 Ų | 98.7 | 74% | 0.743 | 55% | 0.55 | S | S | * | . | trans | -63.2 | 112.9 | 154 | -70.5 | -170.8 | -4.4 | 0 | 0 | 105.1 | Q752 S756 | Q752-Q754 PolarHBondContact O-N 3.29Å; Q754-S756 PolarHBondContact O-N 2.75Å | ||
| 755 | D | 35.2 | Very low | 64.6 | Low | 154 Ų | 154 | 97.7 Ų | 97.7 | 82% | 0.824 | 55% | 0.551 | S | S | * | * | trans | -56.9 | 97.2 | 158.8 | -76.2 | -35.2 | 0 | 0 | 0 | 105.6 | P753 A757 | P753-D755 PolarHBondContact O-N 3.2Å; P753-D755 VanDerWaalsContact O-N 3.08Å; D755-A757 PolarHBondContact O-N 3.32Å | ||
| 756 | S | 34.8 | Very low | 62.5 | Low | 100 Ų | 100 | 97.3 Ų | 97.3 | 70% | 0.699 | 56% | 0.556 | S | S | * | * | trans | -59.1 | 107.7 | 176.9 | 49.2 | 0 | 0 | 0 | 0 | 106 | Q754 V758 | Q754-S756 PolarHBondContact O-N 2.75Å; S756-V758 PolarHBondContact O-N 3.43Å | ||
| 757 | A | 27.7 | Very low | 60.2 | Low | 87 Ų | 87 | 104.8 Ų | 104.8 | 72% | 0.719 | 60% | 0.599 | S | S | * | * | trans | -49.8 | 113.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | D755 C759 | D755-A757 PolarHBondContact O-N 3.32Å; A757-C759 PolarHBondContact O-N 3.31Å | ||
| 758 | V | 28.6 | Very low | 57.5 | Low | 147 Ų | 147 | 111 Ų | 111 | 89% | 0.891 | 63% | 0.633 | S | S | * | * | trans | -69.9 | 101.2 | 169.6 | 177.2 | 0 | 0 | 0 | 0 | 106.4 | S756 | S756-V758 PolarHBondContact O-N 3.43Š| ||
| 759 | C | 26.2 | Very low | 54.5 | Low | 192 Ų | 192 | 107 Ų | 107 | 100% | 1.297 | 63% | 0.63 | S | S | * | * | trans | -144.4 | 0 | 172.5 | -80.7 | 0 | 0 | 0 | 0 | 108 | A757 | A757-C759 PolarHBondContact O-N 3.31Š|
Retrieved 759 of 759 residues in 831.4 ms
(Link to these results)