| 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 | 31.6 | Very low | 32.6 | Very low | 223 Ų | 223 | 136 Ų | 136 | 100% | 1.099 | 73% | 0.725 | S | S | * | * | 0 | 15.2 | 0 | -89.7 | -172.2 | 173.7 | 0 | 0 | 117.1 | |||||
| 2 | P | 35.7 | Very low | 33.5 | Very low | 104 Ų | 104 | 135 Ų | 135 | 68% | 0.675 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -8 | -179.5 | 33.9 | -33.1 | 0 | 0 | 0 | 115.5 | L4 | P2-L4 VanDerWaalsContact C-N 3.32Å; P2-L4 PolarHBondContact O-N 3.32Å |
| 3 | C | 33.5 | Very low | 34.6 | Very low | 107 Ų | 107 | 132.3 Ų | 132.3 | 72% | 0.723 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -72.1 | -19.1 | -177.4 | -65.1 | 0 | 0 | 0 | 0 | 114.8 | ||
| 4 | L | 33.4 | Very low | 36 | Very low | 138 Ų | 138 | 129.9 Ų | 129.9 | 72% | 0.723 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -78.7 | -32.4 | -177.2 | -90.8 | 145.8 | 0 | 0 | 0 | 113.5 | P2 V6 S8 | P2-L4 VanDerWaalsContact C-N 3.32Å; P2-L4 PolarHBondContact O-N 3.32Å; L4-V6 VanDerWaalsContact C-N 3.34Å; L4-V6 PolarHBondContact O-N 3Å; L4-S8 PolarHBondContact O-N 2.9Å |
| 5 | N | 30.5 | Very low | 37.8 | Very low | 136 Ų | 136 | 123.9 Ų | 123.9 | 73% | 0.727 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -77 | -19.5 | 179.8 | -81.3 | -6.7 | 0 | 0 | 0 | 113.8 | ||
| 6 | V | 34 | Very low | 39.9 | Very low | 98 Ų | 98 | 126.3 Ų | 126.3 | 59% | 0.594 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -83.7 | -31.9 | 175.5 | -176.5 | 0 | 0 | 0 | 0 | 111.4 | L4 | L4-V6 VanDerWaalsContact C-N 3.34Å; L4-V6 PolarHBondContact O-N 3Å |
| 7 | C | 28.1 | Very low | 42 | Very low | 85 Ų | 85 | 122.4 Ų | 122.4 | 57% | 0.574 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -71.8 | -36.9 | 174.8 | -87.7 | 0 | 0 | 0 | 0 | 113 | K9 R10 | C7-K9 VanDerWaalsContact C-N 3.27Å; C7-K9 PolarHBondContact O-N 2.76Å; C7-R10 PolarHBondContact O-N 3.35Å; C7-R10 VanDerWaalsContact O-N 3.14Å |
| 8 | S | 31.1 | Very low | 43.9 | Very low | 78 Ų | 78 | 116.6 Ų | 116.6 | 55% | 0.545 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -58.2 | -35.8 | 178 | 162.8 | 0 | 0 | 0 | 0 | 113.1 | L4 | L4-S8 PolarHBondContact O-N 2.9Å |
| 9 | K | 33.2 | Very low | 45.8 | Very low | 177 Ų | 177 | 118.7 Ų | 118.7 | 77% | 0.77 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -13.8 | 179.2 | -80 | -175.3 | 176.8 | 179 | 0 | 114.9 | C7 | C7-K9 VanDerWaalsContact C-N 3.27Å; C7-K9 PolarHBondContact O-N 2.76Å |
| 10 | R | 32.6 | Very low | 47.7 | Very low | 200 Ų | 200 | 113.6 Ų | 113.6 | 76% | 0.755 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -13.9 | 176.5 | -85.1 | -172.8 | -179.2 | -175.2 | 0.7 | 114.1 | C7 L12 H13 | C7-R10 PolarHBondContact O-N 3.35Å; C7-R10 VanDerWaalsContact O-N 3.14Å; R10-L12 PolarHBondContact O-N 2.93Å; R10-L12 VanDerWaalsContact O-N 3.15Å; R10-H13 PolarHBondContact O-N 3.25Å |
| 11 | L | 34.8 | Very low | 49.5 | Very low | 150 Ų | 150 | 109.9 Ų | 109.9 | 79% | 0.785 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -14.7 | -175 | -95.3 | 149 | 0 | 0 | 0 | 115.1 | ||
| 12 | L | 43.4 | Very low | 52.1 | Low | 124 Ų | 124 | 99.7 Ų | 99.7 | 65% | 0.649 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | -0.6 | 178.6 | -92.8 | 148.2 | 0 | 0 | 0 | 114.4 | R10 | R10-L12 PolarHBondContact O-N 2.93Å; R10-L12 VanDerWaalsContact O-N 3.15Å |
| 13 | H | 47.6 | Very low | 54.7 | Low | 100 Ų | 100 | 102.1 Ų | 102.1 | 46% | 0.463 | 51% | 0.509 | S | S | . | . | trans | -103 | 105.4 | 177.7 | -85.2 | -44.5 | 0 | 0 | 0 | 109.8 | R10 D15 P756 | R10-H13 PolarHBondContact O-N 3.25Å; H13-D15 IonicContact CG-OD1 2.88Å; H13-D15 IonicContact CG-OD2 3.23Å; H13-D15 IonicContact ND1-OD1 3.19Å; H13-D15 PolarHBondContact O-N 2.86Å; H13-P756 PolarHBondContact ND1-O 3.43Å | ||
| 14 | F | 54.6 | Low | 57.5 | Low | 99 Ų | 99 | 101.9 Ų | 101.9 | 43% | 0.434 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | 13.2 | 174.7 | -73.9 | -85.1 | 0 | 0 | 0 | 113.6 | F16 I17 L752 | F14-F16 PolarHBondContact O-N 2.9Å; F14-I17 PolarHBondContact O-N 2.89Å; F14-L752 WeakPolarHBondContact CB-O 3.39Å; F14-L752 VanDerWaalsContact CD2-O 3.31Å; F14-L752 WeakPolarHBondContact CD2-O 3.29Å; F14-L752 VanDerWaalsContact CG-O 3.28Å; F14-L752 WeakPolarHBondContact CG-O 3.48Å |
| 15 | D | 63.6 | Low | 60.3 | Low | 40 Ų | 40 | 96.5 Ų | 96.5 | 21% | 0.214 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -54.9 | -23.2 | -177.8 | -56.3 | 2.2 | 0 | 0 | 0 | 113.6 | H13 I17 Q18 Y19 P756 | H13-D15 IonicContact CG-OD1 2.88Å; H13-D15 IonicContact CG-OD2 3.23Å; H13-D15 IonicContact ND1-OD1 3.19Å; H13-D15 PolarHBondContact O-N 2.86Å; D15-I17 VanDerWaalsContact C-N 3.32Å; D15-I17 PolarHBondContact O-N 3.41Å; D15-Q18 PolarHBondContact O-N 3.39Å; D15-Y19 HydrophobicContact CB-CD2 3.74Å; D15-Y19 HydrophobicContact CB-CE2 3.8Å; D15-Y19 WeakPolarHBondContact O-CB 3.48Å; D15-Y19 WeakPolarHBondContact O-CD2 3.44Å; D15-Y19 PolarHBondContact O-N 3.37Å; D15-P756 WeakPolarHBondContact OD1-CA 3.29Å; D15-P756 WeakPolarHBondContact OD1-CB 3.3Å |
| 16 | F | 70 | Confident | 63.3 | Low | 162 Ų | 162 | 93.6 Ų | 93.6 | 71% | 0.711 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -57 | -43.3 | -177.9 | -178.4 | -98.5 | 0 | 0 | 0 | 112.9 | F14 G20 | F14-F16 PolarHBondContact O-N 2.9Å; F16-G20 PolarHBondContact O-N 3.32Å |
| 17 | I | 76.7 | Confident | 66.1 | Low | 59 Ų | 59 | 96.8 Ų | 96.8 | 30% | 0.303 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -69.8 | -46.1 | -178.6 | -64.1 | 175.2 | 0 | 0 | 0 | 109.8 | F14 D15 Y19 G20 M21 L753 | F14-I17 PolarHBondContact O-N 2.89Å; D15-I17 VanDerWaalsContact C-N 3.32Å; D15-I17 PolarHBondContact O-N 3.41Å; I17-Y19 PolarHBondContact O-N 2.7Å; I17-G20 WeakPolarHBondContact O-CA 3.42Å; I17-G20 PolarHBondContact O-N 3.37Å; I17-G20 VanDerWaalsContact O-N 3.16Å; I17-M21 HydrophobicContact CG2-SD 4.08Å; I17-M21 WeakPolarHBondContact O-CG 3.42Å; I17-M21 PolarHBondContact O-N 3.23Å; I17-L753 HydrophobicContact CD1-CD1 3.28Å; I17-L753 HydrophobicContact CD1-CG 3.87Å |
| 18 | Q | 75.7 | Confident | 69.2 | Low | 19 Ų | 19 | 95.3 Ų | 95.3 | 9% | 0.089 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -57.7 | -51.1 | 176.5 | -175.6 | -161.7 | -9.2 | 0 | 0 | 111.8 | D15 G20 M21 G22 V395 Y810 | D15-Q18 PolarHBondContact O-N 3.39Å; Q18-G20 VanDerWaalsContact C-N 3.27Å; Q18-G20 PolarHBondContact O-N 2.64Å; Q18-M21 PolarHBondContact O-N 3.12Å; Q18-G22 PolarHBondContact O-N 3.2Å; Q18-V395 HydrophobicContact CG-CG1 4.28Å; Q18-Y810 HydrophobicContact CG-CE2 3.98Å; Q18-Y810 VanDerWaalsContact NE2-CZ 3.33Å; Q18-Y810 PolarHBondContact NE2-OH 3.42Å |
| 19 | Y | 79.2 | Confident | 72.2 | Confident | 156 Ų | 156 | 91.7 Ų | 91.7 | 61% | 0.612 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -64.7 | -32.1 | 177.2 | -81.8 | -66 | 0 | 0 | 0 | 112.3 | D15 I17 R23 | D15-Y19 HydrophobicContact CB-CD2 3.74Å; D15-Y19 HydrophobicContact CB-CE2 3.8Å; D15-Y19 WeakPolarHBondContact O-CB 3.48Å; D15-Y19 WeakPolarHBondContact O-CD2 3.44Å; D15-Y19 PolarHBondContact O-N 3.37Å; I17-Y19 PolarHBondContact O-N 2.7Å; Y19-R23 WeakPolarHBondContact O-CG 3.28Å; Y19-R23 PolarHBondContact O-N 2.7Å; Y19-R23 PolarHBondContact O-NE 3.25Å |
| 20 | G | 85.1 | Confident | 75.1 | Confident | 17 Ų | 17 | 88 Ų | 88 | 18% | 0.175 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.2 | -53.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F16 I17 Q18 R23 I24 | F16-G20 PolarHBondContact O-N 3.32Å; I17-G20 WeakPolarHBondContact O-CA 3.42Å; I17-G20 PolarHBondContact O-N 3.37Å; I17-G20 VanDerWaalsContact O-N 3.16Å; Q18-G20 VanDerWaalsContact C-N 3.27Å; Q18-G20 PolarHBondContact O-N 2.64Å; G20-R23 WeakPolarHBondContact O-CB 3.43Å; G20-R23 PolarHBondContact O-N 3.32Å; G20-R23 VanDerWaalsContact O-N 3.15Å; G20-I24 WeakPolarHBondContact O-CG1 3.49Å; G20-I24 PolarHBondContact O-N 2.86Å |
| 21 | M | 85.2 | Confident | 78 | Confident | 35 Ų | 35 | 81.1 Ų | 81.1 | 17% | 0.172 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.4 | -42.1 | -179.7 | -72.6 | -178.8 | 60.5 | 0 | 0 | 112.5 | I17 Q18 R23 I24 F25 V395 T398 F754 | I17-M21 HydrophobicContact CG2-SD 4.08Å; I17-M21 WeakPolarHBondContact O-CG 3.42Å; I17-M21 PolarHBondContact O-N 3.23Å; Q18-M21 PolarHBondContact O-N 3.12Å; M21-R23 PolarHBondContact O-N 3.06Å; M21-I24 PolarHBondContact O-N 2.98Å; M21-I24 VanDerWaalsContact O-N 3.08Å; M21-F25 HydrophobicContact CB-CD2 4.37Å; M21-F25 HydrophobicContact CB-CE2 4.29Å; M21-F25 HydrophobicContact CE-CE2 3.78Å; M21-F25 HydrophobicContact CE-CZ 4.36Å; M21-F25 WeakPolarHBondContact O-CD2 3.49Å; M21-F25 PolarHBondContact O-N 3.12Å; M21-V395 HydrophobicContact CB-CG2 4.09Å; M21-T398 HydrophobicContact CE-CG2 3.65Å; M21-F754 HydrophobicContact CE-CE1 3.72Å; M21-F754 HydrophobicContact CE-CZ 4.29Å; M21-F754 HydrophobicContact SD-CD1 4.35Å; M21-F754 HydrophobicContact SD-CE1 3.38Å; M21-F754 WeakPolarHBondContact SD-CE1 3.46Å; M21-F754 HydrophobicContact SD-CZ 3.99Å |
| 22 | G | 86.7 | Confident | 80.8 | Confident | 9 Ų | 9 | 74 Ų | 74 | 9% | 0.093 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.6 | -36.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q18 R26 | Q18-G22 PolarHBondContact O-N 3.2Å; G22-R26 VanDerWaalsContact O-CB 3.25Å; G22-R26 WeakPolarHBondContact O-CB 3.41Å; G22-R26 PolarHBondContact O-N 3.49Å |
| 23 | R | 89.1 | Confident | 83.1 | Confident | 155 Ų | 155 | 68.3 Ų | 68.3 | 59% | 0.585 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -69.5 | -41.3 | 172.8 | -78.8 | -173.3 | -72.5 | 169.5 | -2.9 | 112.7 | Y19 G20 M21 R26 W27 | Y19-R23 WeakPolarHBondContact O-CG 3.28Å; Y19-R23 PolarHBondContact O-N 2.7Å; Y19-R23 PolarHBondContact O-NE 3.25Å; G20-R23 WeakPolarHBondContact O-CB 3.43Å; G20-R23 PolarHBondContact O-N 3.32Å; G20-R23 VanDerWaalsContact O-N 3.15Å; M21-R23 PolarHBondContact O-N 3.06Å; R23-R26 PolarHBondContact O-N 2.79Å; R23-W27 WeakPolarHBondContact O-CB 3.31Å; R23-W27 PolarHBondContact O-N 2.81Å |
| 24 | I | 92.2 | Very high | 85.2 | Confident | 102 Ų | 102 | 69.3 Ų | 69.3 | 52% | 0.523 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.6 | -48.4 | 177.2 | -67.6 | 166.2 | 0 | 0 | 0 | 110.2 | G20 M21 R26 W27 Y28 | G20-I24 WeakPolarHBondContact O-CG1 3.49Å; G20-I24 PolarHBondContact O-N 2.86Å; M21-I24 PolarHBondContact O-N 2.98Å; M21-I24 VanDerWaalsContact O-N 3.08Å; I24-R26 VanDerWaalsContact C-N 3.35Å; I24-R26 PolarHBondContact O-N 3.48Å; I24-W27 WeakPolarHBondContact O-CB 3.35Å; I24-W27 PolarHBondContact O-N 3.25Å; I24-W27 VanDerWaalsContact O-N 3.17Å; I24-Y28 WeakPolarHBondContact O-CB 3.18Å; I24-Y28 PolarHBondContact O-N 2.94Å |
| 25 | F | 93.3 | Very high | 87.1 | Confident | 25 Ų | 25 | 69.8 Ų | 69.8 | 11% | 0.11 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.5 | -36.8 | 177.5 | -73.1 | -58.2 | 0 | 0 | 0 | 112.5 | M21 W27 Y28 A29 A394 V395 T398 L438 | M21-F25 HydrophobicContact CB-CD2 4.37Å; M21-F25 HydrophobicContact CB-CE2 4.29Å; M21-F25 HydrophobicContact CE-CE2 3.78Å; M21-F25 HydrophobicContact CE-CZ 4.36Å; M21-F25 WeakPolarHBondContact O-CD2 3.49Å; M21-F25 PolarHBondContact O-N 3.12Å; F25-W27 VanDerWaalsContact C-N 3.33Å; F25-W27 PolarHBondContact O-N 3.37Å; F25-Y28 PolarHBondContact O-N 3.17Å; F25-A29 WeakPolarHBondContact O-CB 3.07Å; F25-A29 PolarHBondContact O-N 3.35Å; F25-A394 HydrophobicContact CB-CB 4.1Å; F25-A394 HydrophobicContact CD1-CB 3.67Å; F25-A394 HydrophobicContact CD2-CB 3.85Å; F25-A394 HydrophobicContact CE1-CB 4Å; F25-A394 HydrophobicContact CE2-CB 4.14Å; F25-A394 HydrophobicContact CG-CB 3.61Å; F25-A394 HydrophobicContact CZ-CB 4.23Å; F25-V395 HydrophobicContact CD2-CG2 3.79Å; F25-V395 HydrophobicContact CE2-CG2 4.19Å; F25-T398 WeakPolarHBondContact CZ-OG1 3.3Å; F25-L438 HydrophobicContact CE1-CD1 3.95Å; F25-L438 HydrophobicContact CE1-CD2 4.3Å |
| 26 | R | 92.4 | Very high | 88.5 | Confident | 76 Ų | 76 | 68 Ų | 68 | 29% | 0.287 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.3 | -43.8 | 171.9 | -167.6 | -178.9 | -77.7 | 112.3 | -7.1 | 111.2 | G22 R23 I24 K30 P387 E388 A391 | G22-R26 VanDerWaalsContact O-CB 3.25Å; G22-R26 WeakPolarHBondContact O-CB 3.41Å; G22-R26 PolarHBondContact O-N 3.49Å; R23-R26 PolarHBondContact O-N 2.79Å; I24-R26 VanDerWaalsContact C-N 3.35Å; I24-R26 PolarHBondContact O-N 3.48Å; R26-K30 WeakPolarHBondContact O-CG 3.28Å; R26-K30 PolarHBondContact O-N 3.09Å; R26-P387 HydrophobicContact CB-CB 4.42Å; R26-P387 HydrophobicContact CG-CB 3.52Å; R26-E388 IonicContact CZ-OE2 3.73Å; R26-E388 VanDerWaalsContact CZ-OE2 3.32Å; R26-E388 IonicContact NE-OE2 2.74Å; R26-E388 PolarHBondContact NE-OE2 2.6Å; R26-E388 IonicContact NH2-OE1 3.22Å; R26-E388 PolarHBondContact NH2-OE1 3.39Å; R26-E388 IonicContact NH2-OE2 3.63Å; R26-E388 PolarHBondContact NH2-OE2 2.94Å; R26-A391 HydrophobicContact CB-CB 4.22Å |
| 27 | W | 93.1 | Very high | 89.6 | Confident | 165 Ų | 165 | 67.7 Ų | 67.7 | 63% | 0.625 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -66.5 | -46.8 | 176.9 | 172.4 | 81.5 | 0 | 0 | 0 | 112.2 | R23 I24 F25 A29 K30 I31 | R23-W27 WeakPolarHBondContact O-CB 3.31Å; R23-W27 PolarHBondContact O-N 2.81Å; I24-W27 WeakPolarHBondContact O-CB 3.35Å; I24-W27 PolarHBondContact O-N 3.25Å; I24-W27 VanDerWaalsContact O-N 3.17Å; F25-W27 VanDerWaalsContact C-N 3.33Å; F25-W27 PolarHBondContact O-N 3.37Å; W27-A29 PolarHBondContact O-N 2.94Å; W27-K30 WeakPolarHBondContact O-CB 3.28Å; W27-K30 PolarHBondContact O-N 3.07Å; W27-I31 HydrophobicContact CD2-CD1 3.93Å; W27-I31 HydrophobicContact CE3-CD1 4.07Å; W27-I31 HydrophobicContact CH2-CD1 3.51Å; W27-I31 HydrophobicContact CZ2-CD1 3.34Å; W27-I31 HydrophobicContact CZ3-CD1 3.87Å; W27-I31 PolarHBondContact O-N 3.25Å |
| 28 | Y | 94.5 | Very high | 90.5 | Very high | 54 Ų | 54 | 69.8 Ų | 69.8 | 21% | 0.212 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.8 | -46.7 | 178.3 | 177.9 | -101.2 | 0 | 0 | 0 | 111.8 | I24 F25 K30 I31 V32 F39 L438 T439 L442 | I24-Y28 WeakPolarHBondContact O-CB 3.18Å; I24-Y28 PolarHBondContact O-N 2.94Å; F25-Y28 PolarHBondContact O-N 3.17Å; Y28-K30 VanDerWaalsContact C-N 3.26Å; Y28-K30 PolarHBondContact O-N 3.26Å; Y28-I31 WeakPolarHBondContact O-CA 3.17Å; Y28-I31 WeakPolarHBondContact O-CB 3.3Å; Y28-I31 PolarHBondContact O-N 3.35Å; Y28-V32 HydrophobicContact CD1-CG2 4.19Å; Y28-V32 HydrophobicContact CE1-CG2 3.74Å; Y28-V32 HydrophobicContact CE2-CG2 4.37Å; Y28-V32 PolarHBondContact O-N 2.93Å; Y28-F39 HydrophobicContact CE2-CE1 4.17Å; Y28-L438 HydrophobicContact CE1-CB 4.32Å; Y28-L438 WeakPolarHBondContact CE1-O 3.37Å; Y28-L438 PolarHBondContact OH-O 3.42Å; Y28-T439 VanDerWaalsContact OH-CG2 3.31Å; Y28-T439 WeakPolarHBondContact OH-CG2 3.45Å; Y28-L442 HydrophobicContact CD1-CD2 4.33Å; Y28-L442 HydrophobicContact CE1-CD2 4.1Å |
| 29 | A | 93.4 | Very high | 91.3 | Very high | 1 Ų | 1 | 70.9 Ų | 70.9 | 1% | 0.008 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.9 | -35.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F25 W27 I31 V32 C33 I386 P387 M390 L442 | F25-A29 WeakPolarHBondContact O-CB 3.07Å; F25-A29 PolarHBondContact O-N 3.35Å; W27-A29 PolarHBondContact O-N 2.94Å; A29-I31 VanDerWaalsContact C-N 3.32Å; A29-I31 PolarHBondContact O-N 3.06Å; A29-V32 PolarHBondContact O-N 3.37Å; A29-C33 WeakPolarHBondContact O-CB 3.28Å; A29-C33 PolarHBondContact O-N 3.02Å; A29-C33 PolarHBondContact O-SG 3.05Å; A29-I386 HydrophobicContact CB-CG2 4.41Å; A29-P387 HydrophobicContact CB-CB 4.28Å; A29-P387 HydrophobicContact CB-CG 4.27Å; A29-M390 HydrophobicContact CB-CB 3.98Å; A29-M390 HydrophobicContact CB-CG 4.16Å; A29-L442 HydrophobicContact CB-CD2 4.47Å |
| 30 | K | 93.6 | Very high | 92.1 | Very high | 99 Ų | 99 | 64.3 Ų | 64.3 | 43% | 0.43 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.9 | -40.3 | 171.9 | -76 | 179.2 | 179.5 | -171.5 | 0 | 111.8 | R26 W27 Y28 C33 H34 P387 | R26-K30 WeakPolarHBondContact O-CG 3.28Å; R26-K30 PolarHBondContact O-N 3.09Å; W27-K30 WeakPolarHBondContact O-CB 3.28Å; W27-K30 PolarHBondContact O-N 3.07Å; Y28-K30 VanDerWaalsContact C-N 3.26Å; Y28-K30 PolarHBondContact O-N 3.26Å; K30-C33 WeakPolarHBondContact O-CB 3.44Å; K30-C33 PolarHBondContact O-N 3.33Å; K30-H34 PolarHBondContact O-N 3.04Å; K30-H34 PolarHBondContact O-ND1 2.84Å; K30-P387 HydrophobicContact CB-CG 4.43Å; K30-P387 HydrophobicContact CG-CB 4.03Å; K30-P387 HydrophobicContact CG-CG 3.46Å; K30-P387 VanDerWaalsContact CG-CG 3.46Å |
| 31 | I | 93.6 | Very high | 92.5 | Very high | 57 Ų | 57 | 68.8 Ų | 68.8 | 29% | 0.292 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.2 | -47.3 | 177.9 | -64.5 | 171.1 | 0 | 0 | 0 | 110.5 | W27 Y28 A29 C33 H34 H35 F39 | W27-I31 HydrophobicContact CD2-CD1 3.93Å; W27-I31 HydrophobicContact CE3-CD1 4.07Å; W27-I31 HydrophobicContact CH2-CD1 3.51Å; W27-I31 HydrophobicContact CZ2-CD1 3.34Å; W27-I31 HydrophobicContact CZ3-CD1 3.87Å; W27-I31 PolarHBondContact O-N 3.25Å; Y28-I31 WeakPolarHBondContact O-CA 3.17Å; Y28-I31 WeakPolarHBondContact O-CB 3.3Å; Y28-I31 PolarHBondContact O-N 3.35Å; A29-I31 VanDerWaalsContact C-N 3.32Å; A29-I31 PolarHBondContact O-N 3.06Å; I31-C33 VanDerWaalsContact C-N 3.26Å; I31-C33 PolarHBondContact O-N 3.38Å; I31-H34 PolarHBondContact O-N 2.89Å; I31-H35 PolarHBondContact O-N 3.36Å; I31-H35 VanDerWaalsContact O-N 3.16Å; I31-F39 HydrophobicContact CG2-CE2 4.02Å; I31-F39 HydrophobicContact CG2-CZ 3.98Å |
| 32 | V | 93.9 | Very high | 93 | Very high | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.5 | -37.4 | 177.7 | -176.2 | 0 | 0 | 0 | 0 | 111 | Y28 A29 H34 H35 P36 F39 L442 V446 | Y28-V32 HydrophobicContact CD1-CG2 4.19Å; Y28-V32 HydrophobicContact CE1-CG2 3.74Å; Y28-V32 HydrophobicContact CE2-CG2 4.37Å; Y28-V32 PolarHBondContact O-N 2.93Å; A29-V32 PolarHBondContact O-N 3.37Å; V32-H34 VanDerWaalsContact C-N 3.25Å; V32-H34 PolarHBondContact O-N 3.48Å; V32-H35 CarbonylContact O-C 3.59Å; V32-H35 PolarHBondContact O-N 3.22Å; V32-P36 WeakPolarHBondContact O-CA 3.5Å; V32-P36 WeakPolarHBondContact O-CD 3.03Å; V32-P36 VanDerWaalsContact O-N 3.11Å; V32-F39 HydrophobicContact CB-CD2 4.14Å; V32-F39 HydrophobicContact CB-CE2 4.37Å; V32-F39 HydrophobicContact CB-CG 4.49Å; V32-F39 HydrophobicContact CG1-CB 4.15Å; V32-F39 HydrophobicContact CG1-CD2 4.02Å; V32-F39 HydrophobicContact CG1-CG 4.12Å; V32-F39 HydrophobicContact CG2-CD1 4.05Å; V32-F39 HydrophobicContact CG2-CD2 3.89Å; V32-F39 HydrophobicContact CG2-CE1 4.05Å; V32-F39 HydrophobicContact CG2-CE2 3.91Å; V32-F39 HydrophobicContact CG2-CG 3.97Å; V32-F39 HydrophobicContact CG2-CZ 3.99Å; V32-L442 HydrophobicContact CB-CD2 4.11Å; V32-L442 HydrophobicContact CB-CG 4.34Å; V32-L442 HydrophobicContact CG1-CB 4.49Å; V32-L442 HydrophobicContact CG1-CD2 4.19Å; V32-L442 HydrophobicContact CG1-CG 3.93Å; V32-L442 HydrophobicContact CG2-CD2 4.02Å; V32-V446 HydrophobicContact CG1-CG2 4.33Å |
| 33 | C | 91.9 | Very high | 93.4 | Very high | 4 Ų | 4 | 71 Ų | 71 | 3% | 0.027 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.5 | -33.2 | 173.6 | -78.8 | 0 | 0 | 0 | 0 | 113.5 | A29 K30 I31 R450 | A29-C33 WeakPolarHBondContact O-CB 3.28Å; A29-C33 PolarHBondContact O-N 3.02Å; A29-C33 PolarHBondContact O-SG 3.05Å; K30-C33 WeakPolarHBondContact O-CB 3.44Å; K30-C33 PolarHBondContact O-N 3.33Å; I31-C33 VanDerWaalsContact C-N 3.26Å; I31-C33 PolarHBondContact O-N 3.38Å; C33-R450 PolarHBondContact O-NH2 3.4Å |
| 34 | H | 92.5 | Very high | 93.7 | Very high | 122 Ų | 122 | 67.1 Ų | 67.1 | 57% | 0.565 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -81 | -35.4 | 178.7 | -71.4 | 85.3 | 0 | 0 | 0 | 112 | K30 I31 V32 P36 | K30-H34 PolarHBondContact O-N 3.04Å; K30-H34 PolarHBondContact O-ND1 2.84Å; I31-H34 PolarHBondContact O-N 2.89Å; V32-H34 VanDerWaalsContact C-N 3.25Å; V32-H34 PolarHBondContact O-N 3.48Å; H34-P36 VanDerWaalsContact C-CD 3.45Å; H34-P36 WeakPolarHBondContact O-CD 3.47Å |
| 35 | H | 93.7 | Very high | 93.8 | Very high | 109 Ų | 109 | 66.4 Ų | 66.4 | 51% | 0.505 | 31% | 0.311 | S | S | . | . | trans | -126.4 | 53.1 | -173.6 | -60.9 | -69.1 | 0 | 0 | 0 | 114.7 | I31 V32 Y37 I38 F39 | I31-H35 PolarHBondContact O-N 3.36Å; I31-H35 VanDerWaalsContact O-N 3.16Å; V32-H35 CarbonylContact O-C 3.59Å; V32-H35 PolarHBondContact O-N 3.22Å; H35-Y37 VanDerWaalsContact C-N 3.32Å; H35-Y37 PolarHBondContact O-N 3.1Å; H35-I38 HydrophobicContact CB-CD1 4.2Å; H35-I38 PolarHBondContact O-N 3.31Å; H35-F39 HydrophobicContact CB-CE2 4.46Å; H35-F39 WeakPolarHBondContact O-CD2 2.99Å | ||
| 36 | P | 92.8 | Very high | 93.9 | Very high | 3 Ų | 3 | 70 Ų | 70 | 2% | 0.019 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.3 | -36.2 | -169.9 | 24.1 | -34.4 | 0 | 0 | 0 | 113.6 | V32 H34 I38 F39 I40 V446 L447 | V32-P36 WeakPolarHBondContact O-CA 3.5Å; V32-P36 WeakPolarHBondContact O-CD 3.03Å; V32-P36 VanDerWaalsContact O-N 3.11Å; H34-P36 VanDerWaalsContact C-CD 3.45Å; H34-P36 WeakPolarHBondContact O-CD 3.47Å; P36-I38 VanDerWaalsContact C-N 3.33Å; P36-I38 PolarHBondContact O-N 3.03Å; P36-F39 PolarHBondContact O-N 3.06Å; P36-I40 WeakPolarHBondContact O-CG1 3.38Å; P36-I40 PolarHBondContact O-N 3.21Å; P36-I40 VanDerWaalsContact O-N 3.13Å; P36-V446 HydrophobicContact CB-CB 4.14Å; P36-V446 HydrophobicContact CB-CG1 3.95Å; P36-V446 HydrophobicContact CG-CG1 4.07Å; P36-L447 HydrophobicContact CB-CD2 4.33Å; P36-L447 HydrophobicContact CG-CD2 4.07Å |
| 37 | Y | 93.8 | Very high | 94.1 | Very high | 155 Ų | 155 | 66.9 Ų | 66.9 | 61% | 0.608 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -64.7 | -33.7 | -177.1 | -61.7 | -68.9 | 0 | 0 | 0 | 113.6 | H35 I40 L41 L447 | H35-Y37 VanDerWaalsContact C-N 3.32Å; H35-Y37 PolarHBondContact O-N 3.1Å; Y37-I40 PolarHBondContact O-N 2.97Å; Y37-L41 WeakPolarHBondContact O-CB 3.14Å; Y37-L41 PolarHBondContact O-N 2.9Å; Y37-L447 HydrophobicContact CE1-CD1 4.16Å; Y37-L447 HydrophobicContact CE1-CD2 4.14Å |
| 38 | I | 94 | Very high | 94.2 | Very high | 102 Ų | 102 | 63.6 Ų | 63.6 | 52% | 0.523 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.3 | -44.3 | 178.2 | -60.9 | 178.5 | 0 | 0 | 0 | 109.5 | H35 P36 I40 L41 V42 | H35-I38 HydrophobicContact CB-CD1 4.2Å; H35-I38 PolarHBondContact O-N 3.31Å; P36-I38 VanDerWaalsContact C-N 3.33Å; P36-I38 PolarHBondContact O-N 3.03Å; I38-I40 PolarHBondContact O-N 3.02Å; I38-L41 PolarHBondContact O-N 3.04Å; I38-V42 HydrophobicContact CG2-CG2 4.1Å; I38-V42 WeakPolarHBondContact O-CB 3.09Å; I38-V42 VanDerWaalsContact O-CG2 3.32Å; I38-V42 WeakPolarHBondContact O-CG2 3.18Å; I38-V42 PolarHBondContact O-N 3.23Å |
| 39 | F | 94.3 | Very high | 94.2 | Very high | 43 Ų | 43 | 67.5 Ų | 67.5 | 19% | 0.189 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -70.1 | -16.2 | 178.5 | -70.5 | -81.1 | 0 | 0 | 0 | 113.9 | Y28 I31 V32 H35 P36 P43 T439 L440 | Y28-F39 HydrophobicContact CE2-CE1 4.17Å; I31-F39 HydrophobicContact CG2-CE2 4.02Å; I31-F39 HydrophobicContact CG2-CZ 3.98Å; V32-F39 HydrophobicContact CB-CD2 4.14Å; V32-F39 HydrophobicContact CB-CE2 4.37Å; V32-F39 HydrophobicContact CB-CG 4.49Å; V32-F39 HydrophobicContact CG1-CB 4.15Å; V32-F39 HydrophobicContact CG1-CD2 4.02Å; V32-F39 HydrophobicContact CG1-CG 4.12Å; V32-F39 HydrophobicContact CG2-CD1 4.05Å; V32-F39 HydrophobicContact CG2-CD2 3.89Å; V32-F39 HydrophobicContact CG2-CE1 4.05Å; V32-F39 HydrophobicContact CG2-CE2 3.91Å; V32-F39 HydrophobicContact CG2-CG 3.97Å; V32-F39 HydrophobicContact CG2-CZ 3.99Å; H35-F39 HydrophobicContact CB-CE2 4.46Å; H35-F39 WeakPolarHBondContact O-CD2 2.99Å; P36-F39 PolarHBondContact O-N 3.06Å; F39-P43 WeakPolarHBondContact O-CD 3.49Å; F39-P43 WeakPolarHBondContact O-CG 3.38Å; F39-T439 HydrophobicContact CD1-CG2 4.12Å; F39-T439 CarbonylContact O-C 3.6Å; F39-L440 PolarHBondContact O-N 2.98Å |
| 40 | I | 94.4 | Very high | 94.3 | Very high | 18 Ų | 18 | 68.4 Ų | 68.4 | 9% | 0.092 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -85.8 | -46 | 170.6 | -68 | 167 | 0 | 0 | 0 | 110.7 | P36 Y37 I38 P43 I44 L440 F444 L447 | P36-I40 WeakPolarHBondContact O-CG1 3.38Å; P36-I40 PolarHBondContact O-N 3.21Å; P36-I40 VanDerWaalsContact O-N 3.13Å; Y37-I40 PolarHBondContact O-N 2.97Å; I38-I40 PolarHBondContact O-N 3.02Å; I40-P43 WeakPolarHBondContact O-CD 3.34Å; I40-I44 HydrophobicContact CG2-CD1 3.92Å; I40-I44 WeakPolarHBondContact O-CD1 3.28Å; I40-I44 WeakPolarHBondContact O-CG1 3.45Å; I40-L440 HydrophobicContact CB-CD1 4.19Å; I40-L440 HydrophobicContact CG1-CD1 4.4Å; I40-L440 HydrophobicContact CG2-CD1 3.81Å; I40-L440 WeakPolarHBondContact O-CD1 3.31Å; I40-F444 HydrophobicContact CD1-CD1 4.05Å; I40-F444 HydrophobicContact CD1-CE1 4.12Å; I40-F444 HydrophobicContact CD1-CG 4.34Å; I40-F444 HydrophobicContact CD1-CZ 4.48Å; I40-F444 HydrophobicContact CG2-CE1 4.4Å; I40-F444 HydrophobicContact CG2-CE2 4.23Å; I40-F444 HydrophobicContact CG2-CZ 3.88Å; I40-L447 HydrophobicContact CD1-CD1 3.67Å; I40-L447 HydrophobicContact CD1-CG 4.47Å |
| 41 | L | 94.9 | Very high | 94.3 | Very high | 111 Ų | 111 | 64.8 Ų | 64.8 | 58% | 0.581 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -71.9 | -38.4 | -173 | -172.5 | 133.7 | 0 | 0 | 0 | 112.8 | Y37 I38 I44 V45 | Y37-L41 WeakPolarHBondContact O-CB 3.14Å; Y37-L41 PolarHBondContact O-N 2.9Å; I38-L41 PolarHBondContact O-N 3.04Å; L41-I44 PolarHBondContact O-N 3.4Å; L41-V45 HydrophobicContact CD2-CG2 3.98Å; L41-V45 HydrophobicContact CG-CG2 4.31Å; L41-V45 WeakPolarHBondContact O-CG2 3.35Å; L41-V45 PolarHBondContact O-N 2.99Å |
| 42 | V | 94.8 | Very high | 94.3 | Very high | 84 Ų | 84 | 65.6 Ų | 65.6 | 51% | 0.509 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.6 | -51.2 | -178.6 | 168.6 | 0 | 0 | 0 | 0 | 112.3 | I38 I44 V45 F46 | I38-V42 HydrophobicContact CG2-CG2 4.1Å; I38-V42 WeakPolarHBondContact O-CB 3.09Å; I38-V42 VanDerWaalsContact O-CG2 3.32Å; I38-V42 WeakPolarHBondContact O-CG2 3.18Å; I38-V42 PolarHBondContact O-N 3.23Å; V42-I44 VanDerWaalsContact C-N 3.3Å; V42-I44 PolarHBondContact O-N 2.94Å; V42-V45 PolarHBondContact O-N 2.84Å; V42-F46 VanDerWaalsContact O-CB 3.26Å; V42-F46 WeakPolarHBondContact O-CB 3.19Å; V42-F46 PolarHBondContact O-N 3.39Å |
| 43 | P | 95.4 | Very high | 94.2 | Very high | 6 Ų | 6 | 65.6 Ų | 65.6 | 4% | 0.039 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -57.9 | -37.6 | 175 | -29.8 | 38.2 | 0 | 0 | 0 | 114.3 | F39 I40 T47 F436 T439 L440 | F39-P43 WeakPolarHBondContact O-CD 3.49Å; F39-P43 WeakPolarHBondContact O-CG 3.38Å; I40-P43 WeakPolarHBondContact O-CD 3.34Å; P43-T47 VanDerWaalsContact O-CB 3.3Å; P43-T47 WeakPolarHBondContact O-CB 3.02Å; P43-T47 PolarHBondContact O-N 3.18Å; P43-T47 PolarHBondContact O-OG1 3.32Å; P43-F436 HydrophobicContact CB-CD1 3.69Å; P43-F436 HydrophobicContact CB-CE1 3.78Å; P43-F436 HydrophobicContact CB-CG 4.34Å; P43-F436 HydrophobicContact CB-CZ 4.48Å; P43-F436 HydrophobicContact CG-CD1 4.26Å; P43-T439 VanDerWaalsContact CG-OG1 3.24Å; P43-T439 WeakPolarHBondContact CG-OG1 3.13Å; P43-L440 HydrophobicContact CB-CB 4.16Å; P43-L440 HydrophobicContact CG-CB 4.17Å |
| 44 | I | 95.2 | Very high | 94.2 | Very high | 74 Ų | 74 | 68.3 Ų | 68.3 | 38% | 0.379 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65 | -50.5 | 178.9 | -65.5 | 168.7 | 0 | 0 | 0 | 110.3 | I40 L41 V42 F46 T47 V48 M331 L440 | I40-I44 HydrophobicContact CG2-CD1 3.92Å; I40-I44 WeakPolarHBondContact O-CD1 3.28Å; I40-I44 WeakPolarHBondContact O-CG1 3.45Å; L41-I44 PolarHBondContact O-N 3.4Å; V42-I44 VanDerWaalsContact C-N 3.3Å; V42-I44 PolarHBondContact O-N 2.94Å; I44-F46 VanDerWaalsContact C-N 3.34Å; I44-F46 PolarHBondContact O-N 3.34Å; I44-T47 PolarHBondContact O-N 3.1Å; I44-V48 WeakPolarHBondContact O-CG2 3.25Å; I44-V48 PolarHBondContact O-N 3.05Å; I44-M331 HydrophobicContact CB-CE 4.33Å; I44-M331 HydrophobicContact CG1-CE 3.85Å; I44-L440 HydrophobicContact CD1-CD1 4.26Å; I44-L440 HydrophobicContact CG1-CD1 4.18Å |
| 45 | V | 95.5 | Very high | 94.1 | Very high | 87 Ų | 87 | 72.7 Ų | 72.7 | 53% | 0.527 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 178.2 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | L41 V42 T47 V48 M49 | L41-V45 HydrophobicContact CD2-CG2 3.98Å; L41-V45 HydrophobicContact CG-CG2 4.31Å; L41-V45 WeakPolarHBondContact O-CG2 3.35Å; L41-V45 PolarHBondContact O-N 2.99Å; V42-V45 PolarHBondContact O-N 2.84Å; V45-T47 VanDerWaalsContact C-N 3.35Å; V45-T47 PolarHBondContact O-N 3.45Å; V45-V48 PolarHBondContact O-N 2.91Å; V45-M49 PolarHBondContact O-N 3.21Å |
| 46 | F | 94.9 | Very high | 93.9 | Very high | 100 Ų | 100 | 71.2 Ų | 71.2 | 44% | 0.439 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 178 | -173.3 | -106.6 | 0 | 0 | 0 | 112.1 | V42 I44 M49 L50 T335 F436 | V42-F46 VanDerWaalsContact O-CB 3.26Å; V42-F46 WeakPolarHBondContact O-CB 3.19Å; V42-F46 PolarHBondContact O-N 3.39Å; I44-F46 VanDerWaalsContact C-N 3.34Å; I44-F46 PolarHBondContact O-N 3.34Å; F46-M49 PolarHBondContact O-N 2.69Å; F46-L50 HydrophobicContact CD1-CD1 4.1Å; F46-L50 HydrophobicContact CD2-CD1 4.39Å; F46-L50 HydrophobicContact CE1-CD1 3.46Å; F46-L50 VanDerWaalsContact CE1-CD1 3.46Å; F46-L50 HydrophobicContact CE2-CD1 3.79Å; F46-L50 HydrophobicContact CE2-CG 4.49Å; F46-L50 HydrophobicContact CZ-CD1 3.29Å; F46-L50 HydrophobicContact CZ-CG 4.4Å; F46-L50 PolarHBondContact O-N 3.08Å; F46-L50 VanDerWaalsContact O-N 3.1Å; F46-T335 HydrophobicContact CD1-CG2 4.13Å; F46-T335 HydrophobicContact CE1-CG2 3.86Å; F46-F436 HydrophobicContact CD1-CE1 4.17Å; F46-F436 HydrophobicContact CD1-CZ 4.04Å |
| 47 | T | 96.4 | Very high | 93.7 | Very high | 11 Ų | 11 | 76.4 Ų | 76.4 | 7% | 0.067 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.6 | -47.2 | 176.1 | -59.6 | 0 | 0 | 0 | 0 | 111.2 | P43 I44 V45 M49 L50 S51 M331 T335 F436 | P43-T47 VanDerWaalsContact O-CB 3.3Å; P43-T47 WeakPolarHBondContact O-CB 3.02Å; P43-T47 PolarHBondContact O-N 3.18Å; P43-T47 PolarHBondContact O-OG1 3.32Å; I44-T47 PolarHBondContact O-N 3.1Å; V45-T47 VanDerWaalsContact C-N 3.35Å; V45-T47 PolarHBondContact O-N 3.45Å; T47-M49 VanDerWaalsContact C-N 3.32Å; T47-M49 PolarHBondContact O-N 3.33Å; T47-L50 PolarHBondContact O-N 3.5Å; T47-S51 WeakPolarHBondContact O-CB 3.45Å; T47-S51 PolarHBondContact O-N 2.93Å; T47-S51 PolarHBondContact O-OG 3.37Å; T47-M331 HydrophobicContact CG2-CB 3.87Å; T47-M331 HydrophobicContact CG2-CE 4.24Å; T47-M331 HydrophobicContact CG2-CG 4.02Å; T47-M331 WeakPolarHBondContact OG1-CE 3.42Å; T47-T335 WeakPolarHBondContact CG2-OG1 3.39Å; T47-T335 PolarHBondContact OG1-OG1 2.76Å; T47-F436 VanDerWaalsContact OG1-CE2 3.24Å; T47-F436 WeakPolarHBondContact OG1-CE2 3.34Å; T47-F436 VanDerWaalsContact OG1-CZ 3.27Å; T47-F436 WeakPolarHBondContact OG1-CZ 3.44Å |
| 48 | V | 94.9 | Very high | 93.4 | Very high | 96 Ų | 96 | 75.3 Ų | 75.3 | 58% | 0.582 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -60.1 | -44.5 | 179.6 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | I44 V45 C52 | I44-V48 WeakPolarHBondContact O-CG2 3.25Å; I44-V48 PolarHBondContact O-N 3.05Å; V45-V48 PolarHBondContact O-N 2.91Å; V48-C52 PolarHBondContact O-SG 3.28Å |
| 49 | M | 94.8 | Very high | 93.2 | Very high | 136 Ų | 136 | 74.6 Ų | 74.6 | 67% | 0.67 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -61.1 | -47.7 | 179.4 | 178.3 | 178.5 | 165.6 | 0 | 0 | 112.5 | V45 F46 T47 | V45-M49 PolarHBondContact O-N 3.21Å; F46-M49 PolarHBondContact O-N 2.69Å; T47-M49 VanDerWaalsContact C-N 3.32Å; T47-M49 PolarHBondContact O-N 3.33Å |
| 50 | L | 95.2 | Very high | 93.1 | Very high | 20 Ų | 20 | 73.3 Ų | 73.3 | 11% | 0.105 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -80.4 | -30.4 | -176.8 | -69.6 | -179.9 | 0 | 0 | 0 | 113.1 | F46 T47 C52 G53 T335 G338 L339 L342 | F46-L50 HydrophobicContact CD1-CD1 4.1Å; F46-L50 HydrophobicContact CD2-CD1 4.39Å; F46-L50 HydrophobicContact CE1-CD1 3.46Å; F46-L50 VanDerWaalsContact CE1-CD1 3.46Å; F46-L50 HydrophobicContact CE2-CD1 3.79Å; F46-L50 HydrophobicContact CE2-CG 4.49Å; F46-L50 HydrophobicContact CZ-CD1 3.29Å; F46-L50 HydrophobicContact CZ-CG 4.4Å; F46-L50 PolarHBondContact O-N 3.08Å; F46-L50 VanDerWaalsContact O-N 3.1Å; T47-L50 PolarHBondContact O-N 3.5Å; L50-C52 PolarHBondContact O-N 3.24Å; L50-C52 VanDerWaalsContact O-N 3.16Å; L50-G53 PolarHBondContact O-N 3.44Å; L50-T335 HydrophobicContact CB-CG2 4.07Å; L50-T335 HydrophobicContact CD1-CG2 3.58Å; L50-T335 HydrophobicContact CG-CG2 4.46Å; L50-G338 CarbonylContact O-C 3.6Å; L50-G338 WeakPolarHBondContact O-CA 3.35Å; L50-L339 HydrophobicContact CD1-CB 4.47Å; L50-L339 HydrophobicContact CD2-CD1 4.22Å; L50-L342 HydrophobicContact CD2-CD1 4.25Å |
| 51 | S | 93.8 | Very high | 92.7 | Very high | 23 Ų | 23 | 74.8 Ų | 74.8 | 16% | 0.161 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.4 | -18.6 | 178 | -60.7 | 0 | 0 | 0 | 0 | 112.7 | T47 G53 I54 | T47-S51 WeakPolarHBondContact O-CB 3.45Å; T47-S51 PolarHBondContact O-N 2.93Å; T47-S51 PolarHBondContact O-OG 3.37Å; S51-G53 PolarHBondContact O-N 3.44Å; S51-G53 VanDerWaalsContact O-N 3.14Å; S51-I54 WeakPolarHBondContact O-CB 3.33Å; S51-I54 VanDerWaalsContact O-CG1 3.3Å; S51-I54 WeakPolarHBondContact O-CG1 3.19Å; S51-I54 PolarHBondContact O-N 3.48Å |
| 52 | C | 93.6 | Very high | 92.4 | Very high | 73 Ų | 73 | 72.4 Ų | 72.4 | 49% | 0.493 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -54.9 | -27.3 | 168.2 | -69.3 | 0 | 0 | 0 | 0 | 112.7 | V48 L50 I54 Y55 | V48-C52 PolarHBondContact O-SG 3.28Å; L50-C52 PolarHBondContact O-N 3.24Å; L50-C52 VanDerWaalsContact O-N 3.16Å; C52-I54 PolarHBondContact O-N 3.48Å; C52-Y55 WeakPolarHBondContact O-CD2 3.25Å; C52-Y55 PolarHBondContact O-N 2.87Å |
| 53 | G | 91.9 | Very high | 92 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -60.7 | -24.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | L50 S51 Y55 V56 G338 S341 | L50-G53 PolarHBondContact O-N 3.44Å; S51-G53 PolarHBondContact O-N 3.44Å; S51-G53 VanDerWaalsContact O-N 3.14Å; G53-Y55 PolarHBondContact O-N 3.47Å; G53-V56 CarbonylContact O-C 3.39Å; G53-V56 PolarHBondContact O-N 2.85Å; G53-G338 WeakPolarHBondContact CA-O 3.38Å; G53-S341 WeakPolarHBondContact O-CB 3.14Å |
| 54 | I | 91.1 | Very high | 91.7 | Very high | 62 Ų | 62 | 69.7 Ų | 69.7 | 32% | 0.318 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -61.4 | -29.2 | 179.4 | -61.1 | 173 | 0 | 0 | 0 | 111.1 | S51 C52 V56 V337 | S51-I54 WeakPolarHBondContact O-CB 3.33Å; S51-I54 VanDerWaalsContact O-CG1 3.3Å; S51-I54 WeakPolarHBondContact O-CG1 3.19Å; S51-I54 PolarHBondContact O-N 3.48Å; C52-I54 PolarHBondContact O-N 3.48Å; I54-V56 VanDerWaalsContact C-N 3.27Å; I54-V56 PolarHBondContact O-N 3.49Å; I54-V337 HydrophobicContact CG1-CB 4.44Å; I54-V337 HydrophobicContact CG1-CG1 4.11Å |
| 55 | Y | 90.1 | Very high | 91.5 | Very high | 213 Ų | 213 | 71.7 Ų | 71.7 | 84% | 0.835 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -69.2 | -24.3 | 175.4 | -68.7 | -75.3 | 0 | 0 | 0 | 113.1 | C52 G53 | C52-Y55 WeakPolarHBondContact O-CD2 3.25Å; C52-Y55 PolarHBondContact O-N 2.87Å; G53-Y55 PolarHBondContact O-N 3.47Å |
| 56 | V | 90.6 | Very high | 91.3 | Very high | 79 Ų | 79 | 67.6 Ų | 67.6 | 48% | 0.479 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -106.4 | 45.1 | 179.5 | -163.8 | 0 | 0 | 0 | 0 | 109.6 | G53 I54 W58 | G53-V56 CarbonylContact O-C 3.39Å; G53-V56 PolarHBondContact O-N 2.85Å; I54-V56 VanDerWaalsContact C-N 3.27Å; I54-V56 PolarHBondContact O-N 3.49Å; V56-W58 PolarHBondContact O-NE1 2.99Å |
| 57 | R | 87.8 | Confident | 91.1 | Very high | 111 Ų | 111 | 62.9 Ų | 62.9 | 42% | 0.419 | 31% | 0.311 | S | S | . | . | trans | -72.3 | 141.6 | 174.6 | -99.8 | -165.5 | -43.8 | 125.6 | 14.1 | 111.2 | P59 S341 F347 | R57-P59 VanDerWaalsContact O-CD 3.22Å; R57-P59 WeakPolarHBondContact O-CD 3.44Å; R57-S341 WeakPolarHBondContact CG-OG 3.23Å; R57-F347 HydrophobicContact CG-CB 4.3Å; R57-F347 HydrophobicContact CG-CG 4.44Å; R57-F347 VanDerWaalsContact NH1-CE1 3.32Å | ||
| 58 | W | 89.1 | Confident | 90.9 | Very high | 132 Ų | 132 | 62.4 Ų | 62.4 | 50% | 0.5 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 91.8 | 174.7 | -60 | 85 | 0 | 0 | 0 | 109.6 | V56 L60 Y346 F347 | V56-W58 PolarHBondContact O-NE1 2.99Å; W58-L60 PolarHBondContact O-N 3.22Å; W58-Y346 HydrophobicContact CB-CD1 4.04Å; W58-Y346 HydrophobicContact CB-CE1 4.49Å; W58-Y346 CarbonylContact O-C 3.41Å; W58-Y346 WeakPolarHBondContact O-CA 3.37Å; W58-F347 PolarHBondContact O-N 2.92Å |
| 59 | P | 89.8 | Confident | 90.7 | Very high | 88 Ų | 88 | 57.8 Ų | 57.8 | 57% | 0.571 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 134.2 | -179.2 | 29.1 | -34.3 | 0 | 0 | 0 | 110.6 | R57 F347 | R57-P59 VanDerWaalsContact O-CD 3.22Å; R57-P59 WeakPolarHBondContact O-CD 3.44Å; P59-F347 WeakPolarHBondContact CA-O 3.5Å |
| 60 | L | 90.6 | Very high | 90.5 | Very high | 16 Ų | 16 | 55.4 Ų | 55.4 | 8% | 0.084 | 27% | 0.27 | C | S | . | . | trans | -119 | 115 | 166.9 | 178.4 | 63.1 | 0 | 0 | 0 | 107.3 | W58 D62 L66 Y346 F347 L417 L421 | W58-L60 PolarHBondContact O-N 3.22Å; L60-D62 HydrophobicContact CD1-CB 4.09Å; L60-L66 HydrophobicContact CD2-CD2 3.61Å; L60-L66 HydrophobicContact CD2-CG 4.17Å; L60-L66 HydrophobicContact CG-CD1 4.41Å; L60-L66 HydrophobicContact CG-CD2 3.93Å; L60-L66 HydrophobicContact CG-CG 4.11Å; L60-L66 WeakPolarHBondContact O-CD1 3.49Å; L60-Y346 HydrophobicContact CB-CD1 4.1Å; L60-Y346 HydrophobicContact CB-CG 4.17Å; L60-Y346 HydrophobicContact CD2-CG 4.28Å; L60-F347 PolarHBondContact N-O 2.99Å; L60-L417 HydrophobicContact CD2-CD2 3.65Å; L60-L421 HydrophobicContact CD2-CD1 4.44Å | ||
| 61 | T | 86.5 | Confident | 90.2 | Very high | 49 Ų | 49 | 58 Ų | 58 | 30% | 0.301 | 28% | 0.283 | S | S | . | . | trans | -114.4 | -4.7 | -177 | 60.7 | 0 | 0 | 0 | 0 | 112.8 | A63 D270 E349 | T61-A63 PolarHBondContact O-N 3.48Å; T61-D270 VanDerWaalsContact O-OD1 3.09Å; T61-E349 WeakPolarHBondContact CG2-OE1 3Å | ||
| 62 | D | 88.7 | Confident | 90.1 | Very high | 61 Ų | 61 | 57 Ų | 57 | 33% | 0.326 | 28% | 0.276 | S | S | . | . | trans | -65.4 | 100.6 | -177.3 | 177.5 | -10.3 | 0 | 0 | 0 | 110 | L60 L64 R65 L66 | L60-D62 HydrophobicContact CD1-CB 4.09Å; D62-L64 VanDerWaalsContact C-N 3.29Å; D62-L64 PolarHBondContact O-N 3.05Å; D62-L64 WeakPolarHBondContact OD1-CB 3.04Å; D62-L64 PolarHBondContact OD1-N 3.38Å; D62-L64 VanDerWaalsContact OD1-N 3.11Å; D62-R65 HydrophobicContact CB-CB 4.08Å; D62-R65 PolarHBondContact O-N 3.16Å; D62-R65 PolarHBondContact OD1-N 3.08Å; D62-R65 WeakPolarHBondContact OD2-CB 3.4Å; D62-L66 WeakPolarHBondContact O-CB 3.49Å; D62-L66 VanDerWaalsContact O-CG 3.23Å; D62-L66 WeakPolarHBondContact O-CG 3.42Å; D62-L66 PolarHBondContact O-N 2.91Å | ||
| 63 | A | 86.8 | Confident | 90 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.8 | -36.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T61 R65 L66 Y67 L269 D270 L273 L557 | T61-A63 PolarHBondContact O-N 3.48Å; A63-R65 VanDerWaalsContact C-N 3.34Å; A63-R65 PolarHBondContact O-N 3.38Å; A63-L66 PolarHBondContact O-N 2.76Å; A63-Y67 HydrophobicContact CB-CD2 4.18Å; A63-Y67 HydrophobicContact CB-CE2 4.47Å; A63-Y67 WeakPolarHBondContact O-CD2 3.43Å; A63-Y67 PolarHBondContact O-N 3.22Å; A63-L269 HydrophobicContact CB-CD2 3.54Å; A63-L269 HydrophobicContact CB-CG 3.75Å; A63-D270 PolarHBondContact N-OD1 3.29Å; A63-L273 HydrophobicContact CB-CD2 4.36Å; A63-L557 HydrophobicContact CB-CD1 4.42Å |
| 64 | L | 88.1 | Confident | 90.1 | Very high | 32 Ų | 32 | 57.7 Ų | 57.7 | 17% | 0.168 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 178.2 | 179.8 | 61.2 | 0 | 0 | 0 | 110.1 | D62 T68 P724 F725 | D62-L64 VanDerWaalsContact C-N 3.29Å; D62-L64 PolarHBondContact O-N 3.05Å; D62-L64 WeakPolarHBondContact OD1-CB 3.04Å; D62-L64 PolarHBondContact OD1-N 3.38Å; D62-L64 VanDerWaalsContact OD1-N 3.11Å; L64-T68 HydrophobicContact CD1-CG2 3.77Å; L64-T68 WeakPolarHBondContact O-CB 3.49Å; L64-T68 WeakPolarHBondContact O-CG2 3.41Å; L64-T68 PolarHBondContact O-N 3Å; L64-T68 PolarHBondContact O-OG1 2.84Å; L64-P724 HydrophobicContact CD1-CB 3.39Å; L64-P724 HydrophobicContact CD1-CG 3.85Å; L64-F725 HydrophobicContact CD1-CE2 4.18Å; L64-F725 HydrophobicContact CD1-CZ 4.21Å |
| 65 | R | 90.6 | Very high | 90.1 | Very high | 117 Ų | 117 | 57.1 Ų | 57.1 | 44% | 0.442 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -72.8 | -32.2 | 179.1 | -171.7 | 176.1 | 179 | 179.7 | -0.7 | 113.6 | D62 A63 L417 | D62-R65 HydrophobicContact CB-CB 4.08Å; D62-R65 PolarHBondContact O-N 3.16Å; D62-R65 PolarHBondContact OD1-N 3.08Å; D62-R65 WeakPolarHBondContact OD2-CB 3.4Å; A63-R65 VanDerWaalsContact C-N 3.34Å; A63-R65 PolarHBondContact O-N 3.38Å; R65-L417 HydrophobicContact CG-CD2 3.99Å |
| 66 | L | 91.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -76.4 | -44.1 | -176.2 | -76.7 | 169.5 | 0 | 0 | 0 | 113 | L60 D62 A63 C348 A418 L421 | L60-L66 HydrophobicContact CD2-CD2 3.61Å; L60-L66 HydrophobicContact CD2-CG 4.17Å; L60-L66 HydrophobicContact CG-CD1 4.41Å; L60-L66 HydrophobicContact CG-CD2 3.93Å; L60-L66 HydrophobicContact CG-CG 4.11Å; L60-L66 WeakPolarHBondContact O-CD1 3.49Å; D62-L66 WeakPolarHBondContact O-CB 3.49Å; D62-L66 VanDerWaalsContact O-CG 3.23Å; D62-L66 WeakPolarHBondContact O-CG 3.42Å; D62-L66 PolarHBondContact O-N 2.91Å; A63-L66 PolarHBondContact O-N 2.76Å; L66-C348 HydrophobicContact CD1-CB 4Å; L66-C348 HydrophobicContact CD2-CB 3.65Å; L66-A418 HydrophobicContact CB-CB 4.31Å; L66-A418 HydrophobicContact CD2-CB 4.48Å; L66-A418 WeakPolarHBondContact O-CB 3.48Å; L66-A418 PolarHBondContact O-N 3.1Å; L66-L421 HydrophobicContact CD2-CD1 4.22Å |
| 67 | Y | 91.1 | Very high | 90.4 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 0% | 0.004 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -106.3 | -7 | -167.6 | -60.2 | -75.2 | 0 | 0 | 0 | 114.4 | A63 L273 V350 F416 A418 L552 L557 Q728 C788 | A63-Y67 HydrophobicContact CB-CD2 4.18Å; A63-Y67 HydrophobicContact CB-CE2 4.47Å; A63-Y67 WeakPolarHBondContact O-CD2 3.43Å; A63-Y67 PolarHBondContact O-N 3.22Å; Y67-L273 HydrophobicContact CE2-CD2 3.8Å; Y67-V350 HydrophobicContact CE1-CG2 3.95Å; Y67-V350 VanDerWaalsContact OH-CG2 3.26Å; Y67-V350 WeakPolarHBondContact OH-CG2 3.49Å; Y67-F416 WeakPolarHBondContact O-CD1 3.4Å; Y67-F416 WeakPolarHBondContact O-CE1 3.18Å; Y67-A418 HydrophobicContact CD1-CB 4.22Å; Y67-A418 HydrophobicContact CE1-CB 4.14Å; Y67-L552 HydrophobicContact CD1-CD2 4.29Å; Y67-L557 HydrophobicContact CD1-CD2 4.12Å; Y67-L557 HydrophobicContact CD2-CD1 3.72Å; Y67-L557 HydrophobicContact CD2-CD2 3.93Å; Y67-L557 HydrophobicContact CE1-CD2 3.81Å; Y67-L557 HydrophobicContact CE2-CD1 4.04Å; Y67-L557 HydrophobicContact CE2-CD2 3.65Å; Y67-L557 HydrophobicContact CE2-CG 4.5Å; Y67-L557 HydrophobicContact CG-CD1 4.23Å; Y67-L557 HydrophobicContact CG-CD2 4.17Å; Y67-Q728 PolarHBondContact O-NE2 3.37Å; Y67-C788 HydrophobicContact CD1-CB 4.3Å |
| 68 | T | 91.5 | Very high | 90.7 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -101.8 | 153.5 | 172.9 | 74.4 | 0 | 0 | 0 | 0 | 111.2 | L64 H75 P724 F725 | L64-T68 HydrophobicContact CD1-CG2 3.77Å; L64-T68 WeakPolarHBondContact O-CB 3.49Å; L64-T68 WeakPolarHBondContact O-CG2 3.41Å; L64-T68 PolarHBondContact O-N 3Å; L64-T68 PolarHBondContact O-OG1 2.84Å; T68-H75 PolarHBondContact OG1-CE1 3.47Å; T68-H75 VanDerWaalsContact OG1-CE1 3.23Å; T68-H75 PolarHBondContact OG1-NE2 3.18Å; T68-P724 WeakPolarHBondContact CB-O 3.43Å; T68-P724 HydrophobicContact CG2-CB 3.87Å; T68-P724 VanDerWaalsContact CG2-O 3.3Å; T68-P724 WeakPolarHBondContact CG2-O 3.33Å; T68-F725 HydrophobicContact CG2-CD1 3.97Å; T68-F725 HydrophobicContact CG2-CE1 4.17Å; T68-F725 HydrophobicContact CG2-CG 4.43Å |
| 69 | P | 91.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -69.9 | 141.6 | -174.8 | 18.6 | -20.2 | 0 | 0 | 0 | 111.8 | N71 A72 H75 D415 F416 Q731 | P69-N71 PolarHBondContact O-N 3.12Å; P69-A72 HydrophobicContact CG-CB 3.84Å; P69-A72 WeakPolarHBondContact O-CB 3.4Å; P69-A72 PolarHBondContact O-N 2.88Å; P69-A72 VanDerWaalsContact O-N 3.17Å; P69-H75 PolarHBondContact O-CD2 3.04Å; P69-H75 PolarHBondContact O-NE2 3.32Å; P69-H75 VanDerWaalsContact O-NE2 3.15Å; P69-D415 WeakPolarHBondContact CA-O 3.32Å; P69-D415 HydrophobicContact CB-CB 4.07Å; P69-F416 HydrophobicContact CB-CE1 4.28Å; P69-F416 HydrophobicContact CB-CZ 4.41Å; P69-F416 HydrophobicContact CG-CE1 4.34Å; P69-F416 HydrophobicContact CG-CZ 4.48Å; P69-Q731 HydrophobicContact CG-CB 4.34Å; P69-Q731 VanDerWaalsContact CG-CD 3.48Å; P69-Q731 HydrophobicContact CG-CG 4.26Å; P69-Q731 VanDerWaalsContact CG-OE1 3.3Å |
| 70 | L | 90.2 | Very high | 90.9 | Very high | 86 Ų | 86 | 45.3 Ų | 45.3 | 45% | 0.45 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -28.7 | -178.4 | -68 | 173.2 | 0 | 0 | 0 | 112.7 | D415 L417 | L70-D415 WeakPolarHBondContact CG-O 3.31Å; L70-D415 PolarHBondContact N-O 3.33Å; L70-L417 HydrophobicContact CD2-CB 4.27Å |
| 71 | N | 89.8 | Confident | 90.9 | Very high | 74 Ų | 74 | 44.6 Ų | 44.6 | 40% | 0.396 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 8.1 | -179.6 | 67.7 | 8.2 | 0 | 0 | 0 | 113.5 | P69 L73 D415 Q731 | P69-N71 PolarHBondContact O-N 3.12Å; N71-L73 PolarHBondContact O-N 3.47Å; N71-D415 PolarHBondContact ND2-OD1 2.91Å; N71-D415 PolarHBondContact ND2-OD2 3.29Å; N71-Q731 PolarHBondContact OD1-NE2 2.83Å; N71-Q731 PolarHBondContact OD1-OE1 3.08Å |
| 72 | A | 90.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.008 | 21% | 0.211 | C | C | . | . | trans | -52.9 | 136.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | P69 A74 H75 D727 | P69-A72 HydrophobicContact CG-CB 3.84Å; P69-A72 WeakPolarHBondContact O-CB 3.4Å; P69-A72 PolarHBondContact O-N 2.88Å; P69-A72 VanDerWaalsContact O-N 3.17Å; A72-A74 PolarHBondContact O-N 3.44Å; A72-H75 VanDerWaalsContact CB-CD2 3.48Å; A72-H75 WeakPolarHBondContact CB-CD2 2.82Å; A72-H75 PolarHBondContact O-N 3.25Å; A72-D727 HydrophobicContact CB-CB 4.07Å | ||
| 73 | L | 92.5 | Very high | 91.1 | Very high | 89 Ų | 89 | 48 Ų | 48 | 47% | 0.466 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.1 | -35.6 | 175.1 | -72 | 175.5 | 0 | 0 | 0 | 110.4 | N71 H75 K76 E77 D727 | N71-L73 PolarHBondContact O-N 3.47Å; L73-H75 PolarHBondContact O-N 3.35Å; L73-K76 WeakPolarHBondContact O-CA 3.43Å; L73-K76 WeakPolarHBondContact O-CB 3.42Å; L73-K76 PolarHBondContact O-N 2.77Å; L73-E77 WeakPolarHBondContact O-CG 3.36Å; L73-E77 PolarHBondContact O-N 2.57Å; L73-D727 PolarHBondContact N-OD2 3.25Å |
| 74 | A | 92.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -55.3 | -33.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | A72 K76 E77 R78 W723 P724 D727 | A72-A74 PolarHBondContact O-N 3.44Å; A74-K76 VanDerWaalsContact C-N 3.35Å; A74-E77 VanDerWaalsContact CA-OE2 3.29Å; A74-E77 WeakPolarHBondContact CA-OE2 3.1Å; A74-E77 PolarHBondContact O-N 3.16Å; A74-R78 WeakPolarHBondContact O-CB 3.22Å; A74-R78 PolarHBondContact O-N 3.32Å; A74-W723 HydrophobicContact CB-CB 3.71Å; A74-P724 HydrophobicContact CB-CB 4.14Å; A74-P724 HydrophobicContact CB-CG 3.72Å; A74-D727 VanDerWaalsContact CB-OD2 3.24Å; A74-D727 WeakPolarHBondContact CB-OD2 3.44Å; A74-D727 PolarHBondContact N-OD2 3.15Å |
| 75 | H | 92.3 | Very high | 91.3 | Very high | 50 Ų | 50 | 50.8 Ų | 50.8 | 23% | 0.231 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.4 | -37 | 175.6 | -70.1 | -48.3 | 0 | 0 | 0 | 111.8 | T68 P69 A72 L73 F79 | T68-H75 PolarHBondContact OG1-CE1 3.47Å; T68-H75 VanDerWaalsContact OG1-CE1 3.23Å; T68-H75 PolarHBondContact OG1-NE2 3.18Å; P69-H75 PolarHBondContact O-CD2 3.04Å; P69-H75 PolarHBondContact O-NE2 3.32Å; P69-H75 VanDerWaalsContact O-NE2 3.15Å; A72-H75 VanDerWaalsContact CB-CD2 3.48Å; A72-H75 WeakPolarHBondContact CB-CD2 2.82Å; A72-H75 PolarHBondContact O-N 3.25Å; L73-H75 PolarHBondContact O-N 3.35Å; H75-F79 WeakPolarHBondContact O-CB 3.14Å; H75-F79 PolarHBondContact O-N 3.21Å; H75-F79 VanDerWaalsContact O-N 3.08Å |
| 76 | K | 92.9 | Very high | 91 | Very high | 135 Ų | 135 | 49.1 Ų | 49.1 | 59% | 0.587 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -71.8 | -43.9 | 175.3 | -62.4 | 177.9 | -176.7 | 170.4 | 0 | 111.1 | L73 A74 R78 F79 I80 | L73-K76 WeakPolarHBondContact O-CA 3.43Å; L73-K76 WeakPolarHBondContact O-CB 3.42Å; L73-K76 PolarHBondContact O-N 2.77Å; A74-K76 VanDerWaalsContact C-N 3.35Å; K76-R78 VanDerWaalsContact C-N 3.34Å; K76-R78 PolarHBondContact O-N 3.46Å; K76-F79 PolarHBondContact O-N 3.24Å; K76-F79 VanDerWaalsContact O-N 3.16Å; K76-I80 WeakPolarHBondContact O-CG1 3.42Å; K76-I80 PolarHBondContact O-N 3.03Å |
| 77 | E | 94.1 | Very high | 90.6 | Very high | 23 Ų | 23 | 50.7 Ų | 50.7 | 11% | 0.107 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.2 | -48.3 | 176.3 | -64.7 | 168.7 | 153.6 | 0 | 0 | 110 | L73 A74 F79 I80 F81 R705 T717 Y719 W723 | L73-E77 WeakPolarHBondContact O-CG 3.36Å; L73-E77 PolarHBondContact O-N 2.57Å; A74-E77 VanDerWaalsContact CA-OE2 3.29Å; A74-E77 WeakPolarHBondContact CA-OE2 3.1Å; A74-E77 PolarHBondContact O-N 3.16Å; E77-F79 VanDerWaalsContact C-N 3.33Å; E77-F79 PolarHBondContact O-N 2.66Å; E77-I80 PolarHBondContact O-N 3.1Å; E77-F81 WeakPolarHBondContact O-CD2 3.18Å; E77-F81 PolarHBondContact O-N 3.08Å; E77-R705 IonicContact OE1-CZ 3.04Å; E77-R705 IonicContact OE1-NE 3.81Å; E77-R705 PolarHBondContact OE1-NE 3.01Å; E77-R705 IonicContact OE1-NH2 3.86Å; E77-R705 IonicContact OE2-CZ 2.6Å; E77-R705 IonicContact OE2-NE 2.77Å; E77-R705 IonicContact OE2-NH2 2.77Å; E77-R705 PolarHBondContact OE2-NH2 3.11Å; E77-T717 HydrophobicContact CB-CG2 3.8Å; E77-T717 HydrophobicContact CG-CG2 3.85Å; E77-Y719 HydrophobicContact CB-CD2 4.18Å; E77-W723 VanDerWaalsContact OE2-CD1 3.29Å |
| 78 | R | 92.5 | Very high | 90.2 | Very high | 56 Ų | 56 | 52.8 Ų | 52.8 | 21% | 0.211 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -54.5 | -47.2 | 173.2 | -173.5 | 179.7 | 179.5 | -160.6 | 1.1 | 112.2 | A74 K76 F81 Q82 Y719 | A74-R78 WeakPolarHBondContact O-CB 3.22Å; A74-R78 PolarHBondContact O-N 3.32Å; K76-R78 VanDerWaalsContact C-N 3.34Å; K76-R78 PolarHBondContact O-N 3.46Å; R78-F81 PolarHBondContact O-N 2.84Å; R78-Q82 HydrophobicContact CG-CG 4.48Å; R78-Q82 VanDerWaalsContact O-CG 3.29Å; R78-Q82 WeakPolarHBondContact O-CG 3.4Å; R78-Q82 PolarHBondContact O-N 3.14Å; R78-Y719 HydrophobicContact CB-CD2 4.11Å; R78-Y719 HydrophobicContact CB-CE2 3.45Å; R78-Y719 VanDerWaalsContact CB-CE2 3.45Å; R78-Y719 WeakPolarHBondContact CD-OH 3.29Å; R78-Y719 HydrophobicContact CG-CE1 4.45Å; R78-Y719 HydrophobicContact CG-CE2 3.98Å; R78-Y719 WeakPolarHBondContact CG-OH 3.46Å |
| 79 | F | 91.9 | Very high | 89.8 | Confident | 109 Ų | 109 | 55.5 Ų | 55.5 | 48% | 0.478 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.7 | -40 | -177.5 | -177.4 | -104.8 | 0 | 0 | 0 | 112.4 | H75 K76 E77 F81 Q82 Q83 | H75-F79 WeakPolarHBondContact O-CB 3.14Å; H75-F79 PolarHBondContact O-N 3.21Å; H75-F79 VanDerWaalsContact O-N 3.08Å; K76-F79 PolarHBondContact O-N 3.24Å; K76-F79 VanDerWaalsContact O-N 3.16Å; E77-F79 VanDerWaalsContact C-N 3.33Å; E77-F79 PolarHBondContact O-N 2.66Å; F79-F81 VanDerWaalsContact C-N 3.33Å; F79-F81 PolarHBondContact O-N 3.48Å; F79-Q82 WeakPolarHBondContact O-CB 3.34Å; F79-Q82 PolarHBondContact O-N 2.89Å; F79-Q83 HydrophobicContact CD1-CG 4.27Å; F79-Q83 HydrophobicContact CE1-CG 3.96Å; F79-Q83 HydrophobicContact CE2-CG 4.34Å; F79-Q83 HydrophobicContact CZ-CG 4Å; F79-Q83 WeakPolarHBondContact O-CG 3.17Å; F79-Q83 PolarHBondContact O-N 3.06Å |
| 80 | I | 91.9 | Very high | 89.3 | Confident | 52 Ų | 52 | 56.3 Ų | 56.3 | 27% | 0.267 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -57.8 | -48.7 | 174.5 | -68.9 | 165.1 | 0 | 0 | 0 | 110.3 | K76 E77 Q82 Q83 Q84 T717 | K76-I80 WeakPolarHBondContact O-CG1 3.42Å; K76-I80 PolarHBondContact O-N 3.03Å; E77-I80 PolarHBondContact O-N 3.1Å; I80-Q82 VanDerWaalsContact C-N 3.33Å; I80-Q82 PolarHBondContact O-N 2.96Å; I80-Q83 PolarHBondContact O-N 3.49Å; I80-Q84 HydrophobicContact CG2-CG 4.47Å; I80-Q84 WeakPolarHBondContact O-CG 3.46Å; I80-Q84 PolarHBondContact O-N 3.22Å; I80-T717 HydrophobicContact CD1-CG2 4.16Å |
| 81 | F | 91.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.7 | -39.7 | 177.7 | -92.1 | -77.8 | 0 | 0 | 0 | 112.6 | E77 R78 F79 Q83 W85 L98 Q583 A585 R683 T717 Y719 | E77-F81 WeakPolarHBondContact O-CD2 3.18Å; E77-F81 PolarHBondContact O-N 3.08Å; R78-F81 PolarHBondContact O-N 2.84Å; F79-F81 VanDerWaalsContact C-N 3.33Å; F79-F81 PolarHBondContact O-N 3.48Å; F81-Q83 VanDerWaalsContact C-N 3.35Å; F81-W85 AromaticContact CD1-CE3 3.66Å; F81-W85 HydrophobicContact CD1-CE3 3.66Å; F81-W85 AromaticContact CD1-CZ3 3.76Å; F81-W85 HydrophobicContact CD1-CZ3 3.76Å; F81-W85 HydrophobicContact CE1-CE3 4.21Å; F81-W85 AromaticContact CE1-CZ3 3.98Å; F81-W85 HydrophobicContact CE1-CZ3 3.98Å; F81-W85 CarbonylContact O-C 3.32Å; F81-W85 PolarHBondContact O-N 3.1Å; F81-L98 HydrophobicContact CB-CD1 3.59Å; F81-L98 HydrophobicContact CB-CD2 3.53Å; F81-L98 HydrophobicContact CB-CG 4.08Å; F81-L98 HydrophobicContact CD1-CD1 3.91Å; F81-L98 HydrophobicContact CD1-CD2 3.44Å; F81-L98 VanDerWaalsContact CD1-CD2 3.44Å; F81-L98 HydrophobicContact CD1-CG 4.21Å; F81-L98 HydrophobicContact CD2-CD2 4.24Å; F81-L98 HydrophobicContact CE1-CD2 4.13Å; F81-L98 HydrophobicContact CG-CD1 4.16Å; F81-L98 HydrophobicContact CG-CD2 3.48Å; F81-L98 VanDerWaalsContact CG-CD2 3.48Å; F81-L98 HydrophobicContact CG-CG 4.4Å; F81-Q583 HydrophobicContact CE1-CB 3.69Å; F81-Q583 HydrophobicContact CZ-CB 3.67Å; F81-A585 HydrophobicContact CD1-CB 4.4Å; F81-A585 HydrophobicContact CE1-CB 3.66Å; F81-A585 HydrophobicContact CE2-CB 3.99Å; F81-A585 HydrophobicContact CZ-CB 3.43Å; F81-A585 VanDerWaalsContact CZ-CB 3.43Å; F81-R683 HydrophobicContact CE1-CB 4.3Å; F81-T717 HydrophobicContact CD2-CG2 4.27Å; F81-T717 HydrophobicContact CE2-CG2 4.01Å; F81-Y719 VanDerWaalsContact CD2-CB 3.48Å; F81-Y719 HydrophobicContact CD2-CG 4.21Å; F81-Y719 HydrophobicContact CE2-CG 4.49Å |
| 82 | Q | 89.2 | Confident | 88.6 | Confident | 59 Ų | 59 | 54.8 Ų | 54.8 | 28% | 0.276 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.2 | -35.4 | 175.6 | -73.3 | 176.1 | -15.2 | 0 | 0 | 113.3 | R78 F79 I80 P86 I99 | R78-Q82 HydrophobicContact CG-CG 4.48Å; R78-Q82 VanDerWaalsContact O-CG 3.29Å; R78-Q82 WeakPolarHBondContact O-CG 3.4Å; R78-Q82 PolarHBondContact O-N 3.14Å; F79-Q82 WeakPolarHBondContact O-CB 3.34Å; F79-Q82 PolarHBondContact O-N 2.89Å; I80-Q82 VanDerWaalsContact C-N 3.33Å; I80-Q82 PolarHBondContact O-N 2.96Å; Q82-P86 WeakPolarHBondContact O-CA 3.39Å; Q82-I99 HydrophobicContact CG-CD1 3.9Å; Q82-I99 HydrophobicContact CG-CG1 4.25Å |
| 83 | Q | 89.4 | Confident | 88.3 | Confident | 123 Ų | 123 | 55.5 Ų | 55.5 | 58% | 0.575 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -74.1 | -40.6 | 178 | -74.2 | -168 | -28 | 0 | 0 | 112.4 | F79 I80 F81 | F79-Q83 HydrophobicContact CD1-CG 4.27Å; F79-Q83 HydrophobicContact CE1-CG 3.96Å; F79-Q83 HydrophobicContact CE2-CG 4.34Å; F79-Q83 HydrophobicContact CZ-CG 4Å; F79-Q83 WeakPolarHBondContact O-CG 3.17Å; F79-Q83 PolarHBondContact O-N 3.06Å; I80-Q83 PolarHBondContact O-N 3.49Å; F81-Q83 VanDerWaalsContact C-N 3.35Å |
| 84 | Q | 89 | Confident | 87.8 | Confident | 70 Ų | 70 | 54.4 Ų | 54.4 | 33% | 0.327 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -78.3 | -40.7 | -177.9 | -68.2 | -66.9 | -25.7 | 0 | 0 | 112.4 | I80 | I80-Q84 HydrophobicContact CG2-CG 4.47Å; I80-Q84 WeakPolarHBondContact O-CG 3.46Å; I80-Q84 PolarHBondContact O-N 3.22Å |
| 85 | W | 89.3 | Confident | 87.4 | Confident | 20 Ų | 20 | 54.8 Ų | 54.8 | 8% | 0.076 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -128.7 | 71.6 | -178.6 | -59.5 | -81.6 | 0 | 0 | 0 | 110.9 | F81 L87 L98 A585 A665 T668 A681 F682 R683 | F81-W85 AromaticContact CD1-CE3 3.66Å; F81-W85 HydrophobicContact CD1-CE3 3.66Å; F81-W85 AromaticContact CD1-CZ3 3.76Å; F81-W85 HydrophobicContact CD1-CZ3 3.76Å; F81-W85 HydrophobicContact CE1-CE3 4.21Å; F81-W85 AromaticContact CE1-CZ3 3.98Å; F81-W85 HydrophobicContact CE1-CZ3 3.98Å; F81-W85 CarbonylContact O-C 3.32Å; F81-W85 PolarHBondContact O-N 3.1Å; W85-L87 PolarHBondContact O-N 2.85Å; W85-L98 HydrophobicContact CB-CD1 4.47Å; W85-A585 HydrophobicContact CH2-CB 3.68Å; W85-A585 HydrophobicContact CZ3-CB 3.61Å; W85-A665 PolarHBondContact NE1-O 2.79Å; W85-T668 HydrophobicContact CZ2-CG2 4.36Å; W85-A681 HydrophobicContact CH2-CB 4.29Å; W85-A681 HydrophobicContact CZ2-CB 4.35Å; W85-F682 VanDerWaalsContact CZ2-C 3.47Å; W85-R683 HydrophobicContact CD2-CG 4.31Å; W85-R683 HydrophobicContact CH2-CB 3.85Å; W85-R683 HydrophobicContact CH2-CG 4.43Å; W85-R683 HydrophobicContact CZ2-CB 3.87Å; W85-R683 HydrophobicContact CZ2-CG 4.02Å; W85-R683 HydrophobicContact CZ3-CB 4.21Å |
| 86 | P | 85 | Confident | 87 | Confident | 82 Ų | 82 | 53.2 Ų | 53.2 | 53% | 0.532 | 27% | 0.268 | S | S | . | . | trans | -62.9 | 137.1 | 175 | 27.6 | -34.1 | 0 | 0 | 0 | 110.2 | Q82 S88 | Q82-P86 WeakPolarHBondContact O-CA 3.39Å; P86-S88 PolarHBondContact O-N 3.12Å; P86-S88 VanDerWaalsContact O-N 3.1Å | ||
| 87 | L | 83.2 | Confident | 86.3 | Confident | 34 Ų | 34 | 48.1 Ų | 48.1 | 18% | 0.178 | 25% | 0.246 | C | C | . | . | trans | -72.6 | 101.9 | 169.8 | -86.8 | 144.5 | 0 | 0 | 0 | 108.6 | W85 Y92 Q97 I99 M152 F231 | W85-L87 PolarHBondContact O-N 2.85Å; L87-Y92 HydrophobicContact CD2-CD2 3.96Å; L87-Y92 HydrophobicContact CD2-CE2 4.46Å; L87-Q97 HydrophobicContact CD1-CB 4.22Å; L87-Q97 HydrophobicContact CD2-CB 4.17Å; L87-I99 HydrophobicContact CD1-CB 4.34Å; L87-I99 HydrophobicContact CD1-CG1 4.47Å; L87-M152 HydrophobicContact CD2-SD 4.2Å; L87-F231 HydrophobicContact CB-CE1 4.44Å; L87-F231 HydrophobicContact CB-CE2 4.39Å; L87-F231 HydrophobicContact CB-CZ 3.63Å; L87-F231 HydrophobicContact CD1-CZ 4.25Å; L87-F231 HydrophobicContact CG-CZ 4.44Å | ||
| 88 | S | 82.3 | Confident | 85.3 | Confident | 44 Ų | 44 | 47.5 Ų | 47.5 | 31% | 0.308 | 24% | 0.243 | S | C | . | . | trans | -124.6 | 153.4 | 178.6 | 63.6 | 0 | 0 | 0 | 0 | 111.9 | P86 G90 H91 | P86-S88 PolarHBondContact O-N 3.12Å; P86-S88 VanDerWaalsContact O-N 3.1Å; S88-G90 PolarHBondContact O-N 2.87Å; S88-H91 PolarHBondContact O-N 3.27Å | ||
| 89 | E | 83.2 | Confident | 84.2 | Confident | 58 Ų | 58 | 46.4 Ų | 46.4 | 27% | 0.271 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 136.8 | 175.8 | -177.1 | 56.3 | -157.8 | 0 | 0 | 111.8 | H91 M152 S153 R230 | E89-H91 VanDerWaalsContact C-N 3.29Å; E89-H91 PolarHBondContact O-N 3.29Å; E89-M152 VanDerWaalsContact OE2-CA 3.31Å; E89-M152 WeakPolarHBondContact OE2-CA 3.49Å; E89-M152 WeakPolarHBondContact OE2-CG 3.43Å; E89-S153 WeakPolarHBondContact OE1-CB 3.48Å; E89-S153 PolarHBondContact OE1-N 2.98Å; E89-S153 PolarHBondContact OE1-OG 2.98Å; E89-S153 PolarHBondContact OE2-N 3.35Å; E89-S153 VanDerWaalsContact OE2-N 3.16Å; E89-R230 WeakPolarHBondContact OE2-CD 3.31Å; E89-R230 WeakPolarHBondContact OE2-CG 3.49Å; E89-R230 IonicContact OE2-NE 2.81Å |
| 90 | G | 82.6 | Confident | 83.5 | Confident | 17 Ų | 17 | 42.4 Ų | 42.4 | 18% | 0.175 | 23% | 0.225 | C | C | . | . | B | Isolated β-bridge | trans | 86.6 | -17 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | S88 S153 Y155 | S88-G90 PolarHBondContact O-N 2.87Å; G90-S153 CarbonylContact C-O 3.56Å; G90-S153 WeakPolarHBondContact CA-O 3.14Å; G90-S153 PolarHBondContact N-O 3.04Å; G90-S153 PolarHBondContact N-OG 3.4Å; G90-Y155 PolarHBondContact O-N 3.21Å |
| 91 | H | 80.9 | Confident | 83.2 | Confident | 122 Ų | 122 | 43.8 Ų | 43.8 | 57% | 0.565 | 23% | 0.229 | S | C | * | . | B | Isolated β-bridge | trans | -117.2 | 17.3 | -176.1 | -65.4 | -77.7 | 0 | 0 | 0 | 113.6 | S88 E89 | S88-H91 PolarHBondContact O-N 3.27Å; E89-H91 VanDerWaalsContact C-N 3.29Å; E89-H91 PolarHBondContact O-N 3.29Å |
| 92 | Y | 84.4 | Confident | 83.3 | Confident | 7 Ų | 7 | 45.4 Ų | 45.4 | 3% | 0.027 | 24% | 0.235 | C | C | . | . | trans | -71.7 | 135.2 | 178.2 | 176.5 | -128.7 | 0 | 0 | 0 | 111.7 | L87 P94 Q97 M152 S154 L159 Q228 | L87-Y92 HydrophobicContact CD2-CD2 3.96Å; L87-Y92 HydrophobicContact CD2-CE2 4.46Å; Y92-P94 HydrophobicContact CE1-CG 4.28Å; Y92-Q97 HydrophobicContact CE2-CB 4.49Å; Y92-M152 HydrophobicContact CD1-CB 4.27Å; Y92-M152 HydrophobicContact CD2-SD 4.36Å; Y92-M152 HydrophobicContact CG-CB 4.31Å; Y92-M152 HydrophobicContact CG-CG 4.26Å; Y92-M152 HydrophobicContact CG-SD 4.13Å; Y92-S154 WeakPolarHBondContact O-CB 3.32Å; Y92-S154 PolarHBondContact O-OG 3.21Å; Y92-L159 HydrophobicContact CD1-CB 4.22Å; Y92-L159 HydrophobicContact CD1-CD1 3.32Å; Y92-L159 HydrophobicContact CD1-CG 4.41Å; Y92-L159 HydrophobicContact CE1-CB 4.11Å; Y92-L159 HydrophobicContact CE1-CD1 3.7Å; Y92-L159 HydrophobicContact CG-CD1 4.14Å; Y92-Q228 HydrophobicContact CD1-CB 4.13Å; Y92-Q228 HydrophobicContact CD1-CG 4.32Å; Y92-Q228 HydrophobicContact CD2-CG 4.12Å; Y92-Q228 HydrophobicContact CE1-CB 3.5Å; Y92-Q228 VanDerWaalsContact CE1-CB 3.5Å; Y92-Q228 HydrophobicContact CE1-CG 4.07Å; Y92-Q228 HydrophobicContact CE2-CB 3.96Å; Y92-Q228 HydrophobicContact CE2-CG 3.83Å; Y92-Q228 HydrophobicContact CG-CG 4.4Å; Y92-Q228 VanDerWaalsContact CZ-CB 3.4Å | ||
| 93 | V | 84.5 | Confident | 83.5 | Confident | 15 Ų | 15 | 42.7 Ų | 42.7 | 9% | 0.091 | 22% | 0.223 | C | C | . | . | trans | -128 | 121.3 | 171.7 | 179.5 | 0 | 0 | 0 | 0 | 108.8 | G95 R96 A662 A665 | V93-G95 PolarHBondContact O-N 3.38Å; V93-R96 HydrophobicContact CB-CB 4.21Å; V93-R96 HydrophobicContact CB-CG 4.19Å; V93-R96 HydrophobicContact CG1-CB 4.32Å; V93-R96 HydrophobicContact CG1-CG 3.79Å; V93-R96 PolarHBondContact O-N 3.15Å; V93-A662 HydrophobicContact CG1-CB 4.12Å; V93-A665 HydrophobicContact CG2-CB 3.53Å | ||
| 94 | P | 82 | Confident | 83.8 | Confident | 67 Ų | 67 | 36.9 Ų | 36.9 | 44% | 0.435 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 138.9 | -179.7 | -22.4 | 33.6 | 0 | 0 | 0 | 111.7 | Y92 R96 L159 | Y92-P94 HydrophobicContact CE1-CG 4.28Å; P94-R96 PolarHBondContact O-N 3Å; P94-L159 HydrophobicContact CG-CB 4.46Å; P94-L159 HydrophobicContact CG-CD1 3.69Å; P94-L159 HydrophobicContact CG-CD2 3.87Å; P94-L159 HydrophobicContact CG-CG 4.24Å |
| 95 | G | 82.6 | Confident | 84.1 | Confident | 7 Ų | 7 | 34.6 Ų | 34.6 | 7% | 0.072 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | -7.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | V93 Q97 Q196 M685 | V93-G95 PolarHBondContact O-N 3.38Å; G95-Q97 VanDerWaalsContact CA-OE1 3.28Å; G95-Q196 PolarHBondContact O-NE2 2.92Å; G95-M685 WeakPolarHBondContact O-CE 3.2Å |
| 96 | R | 85.1 | Confident | 84.4 | Confident | 17 Ų | 17 | 33.6 Ų | 33.6 | 6% | 0.064 | 18% | 0.181 | C | C | . | . | trans | -105.2 | 1 | 177.7 | -63.8 | -67.7 | -172.1 | -86.9 | -1.3 | 113.4 | V93 P94 Q583 Q621 D666 R683 M685 | V93-R96 HydrophobicContact CB-CB 4.21Å; V93-R96 HydrophobicContact CB-CG 4.19Å; V93-R96 HydrophobicContact CG1-CB 4.32Å; V93-R96 HydrophobicContact CG1-CG 3.79Å; V93-R96 PolarHBondContact O-N 3.15Å; P94-R96 PolarHBondContact O-N 3Å; R96-Q583 PolarHBondContact O-NE2 3.16Å; R96-Q621 VanDerWaalsContact CZ-OE1 3.29Å; R96-Q621 VanDerWaalsContact NH2-CB 3.35Å; R96-D666 WeakPolarHBondContact CD-OD1 3.41Å; R96-D666 IonicContact CZ-OD2 3.44Å; R96-D666 IonicContact NE-OD1 3.54Å; R96-D666 PolarHBondContact NE-OD1 3.5Å; R96-D666 IonicContact NE-OD2 3.71Å; R96-D666 PolarHBondContact NE-OD2 2.83Å; R96-D666 VanDerWaalsContact NE-OD2 3.07Å; R96-D666 IonicContact NH2-OD2 2.81Å; R96-R683 PolarHBondContact O-NH1 3.41Å; R96-M685 VanDerWaalsContact NH1-CG 3.28Å | ||
| 97 | Q | 77.7 | Confident | 85 | Confident | 29 Ų | 29 | 29.7 Ų | 29.7 | 14% | 0.136 | 16% | 0.156 | C | C | . | . | trans | -62.9 | 140.4 | 174 | 68.6 | -83.3 | 12.4 | 0 | 0 | 111.1 | L87 Y92 G95 Q103 Q583 | L87-Q97 HydrophobicContact CD1-CB 4.22Å; L87-Q97 HydrophobicContact CD2-CB 4.17Å; Y92-Q97 HydrophobicContact CE2-CB 4.49Å; G95-Q97 VanDerWaalsContact CA-OE1 3.28Å; Q97-Q103 VanDerWaalsContact CD-NE2 3.35Å; Q97-Q583 PolarHBondContact O-NE2 2.95Å | ||
| 98 | L | 72.4 | Confident | 85.6 | Confident | 9 Ų | 9 | 28.1 Ų | 28.1 | 5% | 0.047 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -101.9 | -27.2 | 179.1 | -71.4 | 145.5 | 0 | 0 | 0 | 112.3 | F81 W85 Y719 | F81-L98 HydrophobicContact CB-CD1 3.59Å; F81-L98 HydrophobicContact CB-CD2 3.53Å; F81-L98 HydrophobicContact CB-CG 4.08Å; F81-L98 HydrophobicContact CD1-CD1 3.91Å; F81-L98 HydrophobicContact CD1-CD2 3.44Å; F81-L98 VanDerWaalsContact CD1-CD2 3.44Å; F81-L98 HydrophobicContact CD1-CG 4.21Å; F81-L98 HydrophobicContact CD2-CD2 4.24Å; F81-L98 HydrophobicContact CE1-CD2 4.13Å; F81-L98 HydrophobicContact CG-CD1 4.16Å; F81-L98 HydrophobicContact CG-CD2 3.48Å; F81-L98 VanDerWaalsContact CG-CD2 3.48Å; F81-L98 HydrophobicContact CG-CG 4.4Å; W85-L98 HydrophobicContact CB-CD1 4.47Å; L98-Y719 HydrophobicContact CD2-CD1 3.54Å; L98-Y719 HydrophobicContact CD2-CE1 4.1Å; L98-Y719 HydrophobicContact CD2-CG 4.42Å |
| 99 | I | 71.3 | Confident | 86.3 | Confident | 33 Ų | 33 | 26.5 Ų | 26.5 | 17% | 0.169 | 14% | 0.136 | C | C | . | . | trans | -119.6 | 124.8 | -177.4 | -43.1 | 168.9 | 0 | 0 | 0 | 107.4 | Q82 L87 K101 | Q82-I99 HydrophobicContact CG-CD1 3.9Å; Q82-I99 HydrophobicContact CG-CG1 4.25Å; L87-I99 HydrophobicContact CD1-CB 4.34Å; L87-I99 HydrophobicContact CD1-CG1 4.47Å; I99-K101 HydrophobicContact CB-CB 4.47Å; I99-K101 HydrophobicContact CG2-CB 3.74Å; I99-K101 PolarHBondContact O-N 2.89Å | ||
| 100 | N | 75.5 | Confident | 86.9 | Confident | 26 Ų | 26 | 24 Ų | 24 | 14% | 0.139 | 13% | 0.125 | C | C | . | . | trans | -79.1 | 58.7 | 166.3 | -71.8 | -6.4 | 0 | 0 | 0 | 109.9 | Q103 Q105 S266 E721 | N100-Q103 HydrophobicContact CB-CB 4.47Å; N100-Q103 PolarHBondContact OD1-OE1 2.84Å; N100-Q105 PolarHBondContact ND2-NE2 3.26Å; N100-S266 WeakPolarHBondContact O-CB 3.09Å; N100-E721 PolarHBondContact ND2-OE1 3.21Å; N100-E721 PolarHBondContact ND2-OE2 3.04Å | ||
| 101 | K | 87 | Confident | 87.5 | Confident | 81 Ų | 81 | 28.9 Ų | 28.9 | 35% | 0.352 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -96.5 | 126.9 | 172.5 | -171.2 | 177.5 | 179.8 | -165 | 0 | 108.6 | I99 Q103 Q228 F231 D237 | I99-K101 HydrophobicContact CB-CB 4.47Å; I99-K101 HydrophobicContact CG2-CB 3.74Å; I99-K101 PolarHBondContact O-N 2.89Å; K101-Q103 PolarHBondContact O-N 2.71Å; K101-Q103 VanDerWaalsContact O-N 3.17Å; K101-Q228 PolarHBondContact O-NE2 3.45Å; K101-F231 HydrophobicContact CB-CD1 4.43Å; K101-F231 HydrophobicContact CB-CE1 4.31Å; K101-F231 HydrophobicContact CB-CZ 4.38Å; K101-F231 HydrophobicContact CD-CB 4.42Å; K101-F231 HydrophobicContact CD-CD2 3.83Å; K101-F231 HydrophobicContact CD-CE2 4.24Å; K101-F231 HydrophobicContact CD-CG 4.09Å; K101-F231 HydrophobicContact CG-CD1 4.42Å; K101-F231 HydrophobicContact CG-CD2 4.38Å; K101-F231 HydrophobicContact CG-CG 4.21Å; K101-F231 WeakPolarHBondContact O-CD1 3.44Å; K101-F231 WeakPolarHBondContact O-CE1 3.35Å; K101-D237 WeakPolarHBondContact CE-OD1 3.42Å; K101-D237 IonicContact NZ-OD1 3.44Å; K101-D237 PolarHBondContact NZ-OD1 3.38Å; K101-D237 IonicContact NZ-OD2 3.43Å |
| 102 | R | 93 | Very high | 88.1 | Confident | 34 Ų | 34 | 28 Ų | 28 | 13% | 0.128 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 50.2 | 34.5 | -173.8 | -51.3 | -53.4 | 178.7 | -168.5 | -0.4 | 113.9 | Q228 L229 F231 D237 E244 S266 | R102-Q228 PolarHBondContact O-NE2 3.17Å; R102-L229 HydrophobicContact CB-CB 3.97Å; R102-L229 HydrophobicContact CB-CD1 4.48Å; R102-L229 VanDerWaalsContact O-CB 3.28Å; R102-L229 WeakPolarHBondContact O-CB 3.38Å; R102-L229 PolarHBondContact O-N 3.21Å; R102-F231 HydrophobicContact CB-CB 4.37Å; R102-F231 HydrophobicContact CB-CD1 4.15Å; R102-F231 HydrophobicContact CG-CB 3.68Å; R102-F231 HydrophobicContact CG-CD1 4.3Å; R102-F231 HydrophobicContact CG-CG 4.37Å; R102-D237 IonicContact CZ-OD1 2.88Å; R102-D237 IonicContact CZ-OD2 3.19Å; R102-D237 PolarHBondContact NE-O 3.37Å; R102-D237 IonicContact NE-OD1 3.33Å; R102-D237 PolarHBondContact NE-OD1 3.17Å; R102-D237 IonicContact NE-OD2 3.68Å; R102-D237 VanDerWaalsContact NH2-CG 3.33Å; R102-D237 PolarHBondContact NH2-O 3.46Å; R102-D237 IonicContact NH2-OD1 3.32Å; R102-D237 PolarHBondContact NH2-OD1 3.42Å; R102-D237 IonicContact NH2-OD2 2.63Å; R102-D237 PolarHBondContact NH2-OD2 3.4Å; R102-E244 WeakPolarHBondContact CA-OE1 2.94Å; R102-E244 WeakPolarHBondContact CD-OE2 2.92Å; R102-E244 IonicContact CZ-OE2 3.02Å; R102-E244 IonicContact NH1-OE2 2.77Å; R102-E244 PolarHBondContact NH1-OE2 2.78Å; R102-S266 WeakPolarHBondContact CA-OG 3.37Å; R102-S266 VanDerWaalsContact N-CB 3.34Å; R102-S266 PolarHBondContact N-OG 3.01Å |
| 103 | Q | 93 | Very high | 88.4 | Confident | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.009 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 134.5 | 174.8 | -177.1 | 165.9 | 96.9 | 0 | 0 | 109.3 | Q97 N100 K101 Q105 V226 H265 S266 | Q97-Q103 VanDerWaalsContact CD-NE2 3.35Å; N100-Q103 HydrophobicContact CB-CB 4.47Å; N100-Q103 PolarHBondContact OD1-OE1 2.84Å; K101-Q103 PolarHBondContact O-N 2.71Å; K101-Q103 VanDerWaalsContact O-N 3.17Å; Q103-Q105 HydrophobicContact CG-CG 4.2Å; Q103-V226 VanDerWaalsContact CD-CG1 3.48Å; Q103-V226 HydrophobicContact CG-CG1 3.87Å; Q103-H265 CarbonylContact O-C 3.54Å; Q103-H265 WeakPolarHBondContact O-CA 3.25Å; Q103-S266 PolarHBondContact O-N 3.17Å |
| 104 | C | 95.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 135.9 | 170.1 | -66.3 | 0 | 0 | 0 | 0 | 109.7 | Y227 W243 F247 F264 H265 | C104-Y227 PolarHBondContact N-O 3.03Å; C104-Y227 PolarHBondContact O-N 3.38Å; C104-W243 HydrophobicContact CB-CZ3 4.3Å; C104-F247 HydrophobicContact CB-CD1 4.02Å; C104-F247 HydrophobicContact CB-CD2 4.24Å; C104-F247 HydrophobicContact CB-CE1 3.66Å; C104-F247 HydrophobicContact CB-CE2 3.87Å; C104-F247 HydrophobicContact CB-CG 4.28Å; C104-F247 HydrophobicContact CB-CZ 3.56Å; C104-F264 CarbonylContact C-O 3.57Å; C104-F264 WeakPolarHBondContact CA-O 3.35Å; C104-H265 HydrophobicContact CB-CB 4.43Å |
| 105 | Q | 95 | Very high | 89.4 | Confident | 22 Ų | 22 | 28.4 Ų | 28.4 | 10% | 0.103 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 145.3 | 178.7 | -60.7 | -179.7 | 11.6 | 0 | 0 | 109.4 | N100 Q103 M224 L225 V226 F264 F567 | N100-Q105 PolarHBondContact ND2-NE2 3.26Å; Q103-Q105 HydrophobicContact CG-CG 4.2Å; Q105-M224 HydrophobicContact CB-SD 4.11Å; Q105-L225 CarbonylContact C-O 3.45Å; Q105-L225 VanDerWaalsContact CA-O 3.3Å; Q105-L225 WeakPolarHBondContact CA-O 3.36Å; Q105-V226 HydrophobicContact CG-CG2 4.37Å; Q105-F264 HydrophobicContact CB-CB 4.48Å; Q105-F264 PolarHBondContact N-O 2.79Å; Q105-F264 PolarHBondContact O-N 2.8Å; Q105-F264 VanDerWaalsContact O-O 3.1Å; Q105-F567 HydrophobicContact CB-CE2 4.01Å; Q105-F567 HydrophobicContact CB-CZ 3.86Å; Q105-F567 VanDerWaalsContact OE1-CZ 3.28Å |
| 106 | V | 96.5 | Very high | 90 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 120.7 | 177 | -174.1 | 0 | 0 | 0 | 0 | 108.6 | V108 L128 I132 M224 L225 Y227 F247 L251 V261 | V106-V108 HydrophobicContact CG1-CG2 4.14Å; V106-L128 HydrophobicContact CG1-CD2 4.49Å; V106-I132 HydrophobicContact CG2-CD1 4.08Å; V106-M224 CarbonylContact O-C 3.58Å; V106-M224 WeakPolarHBondContact O-CA 3.32Å; V106-L225 HydrophobicContact CB-CB 4.18Å; V106-L225 PolarHBondContact N-O 3.06Å; V106-L225 PolarHBondContact O-N 2.84Å; V106-Y227 HydrophobicContact CG2-CE2 4.13Å; V106-F247 HydrophobicContact CG2-CE2 3.75Å; V106-F247 HydrophobicContact CG2-CZ 3.4Å; V106-L251 HydrophobicContact CG1-CD1 4.46Å; V106-L251 HydrophobicContact CG2-CD1 3.53Å; V106-V261 HydrophobicContact CG1-CG1 3.32Å |
| 107 | I | 96.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 123 | 166.9 | -63.3 | 168.6 | 0 | 0 | 0 | 108.2 | T109 A222 M224 S262 F567 E570 L571 F575 | I107-T109 HydrophobicContact CG2-CG2 3.98Å; I107-A222 HydrophobicContact CG2-CB 3.96Å; I107-M224 HydrophobicContact CD1-CE 3.67Å; I107-M224 HydrophobicContact CD1-SD 4.47Å; I107-M224 HydrophobicContact CG1-CE 3.34Å; I107-M224 HydrophobicContact CG1-SD 3.62Å; I107-S262 PolarHBondContact N-O 3Å; I107-S262 PolarHBondContact O-N 3.11Å; I107-F567 HydrophobicContact CB-CE2 4.42Å; I107-F567 HydrophobicContact CD1-CD2 3.71Å; I107-F567 HydrophobicContact CD1-CE1 4.47Å; I107-F567 HydrophobicContact CD1-CE2 3.53Å; I107-F567 HydrophobicContact CD1-CG 4.28Å; I107-F567 HydrophobicContact CD1-CZ 3.91Å; I107-F567 HydrophobicContact CG1-CD2 3.99Å; I107-F567 HydrophobicContact CG1-CE2 3.56Å; I107-F567 HydrophobicContact CG1-CZ 4.22Å; I107-E570 HydrophobicContact CD1-CB 3.8Å; I107-E570 HydrophobicContact CG2-CB 4.02Å; I107-E570 HydrophobicContact CG2-CG 4.46Å; I107-L571 HydrophobicContact CD1-CB 4.45Å; I107-F575 HydrophobicContact CD1-CD2 4.41Å; I107-F575 HydrophobicContact CD1-CE2 4.13Å; I107-F575 HydrophobicContact CG1-CE2 4.11Å; I107-F575 HydrophobicContact CG2-CE2 4.24Å |
| 108 | V | 97.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 123.5 | 171.3 | -173.2 | 0 | 0 | 0 | 0 | 108.7 | V106 V116 V125 L128 A222 W223 L225 V259 | V106-V108 HydrophobicContact CG1-CG2 4.14Å; V108-V116 HydrophobicContact CG1-CG2 4.39Å; V108-V125 HydrophobicContact CB-CG2 4.37Å; V108-V125 HydrophobicContact CG1-CG2 3.96Å; V108-V125 HydrophobicContact CG2-CG2 4.43Å; V108-L128 HydrophobicContact CG2-CD2 3.86Å; V108-A222 WeakPolarHBondContact O-CA 3.42Å; V108-W223 HydrophobicContact CB-CB 4.43Å; V108-W223 PolarHBondContact N-O 3.11Å; V108-W223 PolarHBondContact O-N 3.22Å; V108-L225 HydrophobicContact CG2-CD1 4.43Å; V108-V259 HydrophobicContact CG1-CB 3.92Å; V108-V259 HydrophobicContact CG1-CG1 4.06Å |
| 109 | T | 96.7 | Very high | 92.3 | Very high | 10 Ų | 10 | 31.6 Ų | 31.6 | 6% | 0.061 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 157.9 | 172.4 | 55.6 | 0 | 0 | 0 | 0 | 110.1 | I107 A222 V259 E260 E570 | I107-T109 HydrophobicContact CG2-CG2 3.98Å; T109-A222 HydrophobicContact CG2-CB 3.99Å; T109-V259 WeakPolarHBondContact O-CA 3.15Å; T109-E260 PolarHBondContact N-O 3.42Å; T109-E260 PolarHBondContact O-N 3.22Å; T109-E570 HydrophobicContact CG2-CG 4.37Å |
| 110 | A | 96.3 | Very high | 93.3 | Very high | 6 Ų | 6 | 36 Ų | 36 | 5% | 0.05 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 135.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | D112 G113 I121 | A110-D112 WeakPolarHBondContact CB-OD1 3.27Å; A110-D112 PolarHBondContact O-N 2.97Å; A110-G113 WeakPolarHBondContact O-CA 3.33Å; A110-G113 PolarHBondContact O-N 3.16Å; A110-I121 HydrophobicContact CB-CD1 3.72Å |
| 111 | R | 94.1 | Very high | 94.3 | Very high | 119 Ų | 119 | 34.8 Ų | 34.8 | 45% | 0.449 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -26.8 | -178.9 | -78.1 | -175.2 | -178.9 | -114.4 | 5 | 114.3 | G113 N255 N256 S257 L258 V259 E260 | R111-G113 PolarHBondContact O-N 2.74Å; R111-N255 PolarHBondContact NH2-OD1 3.39Å; R111-N256 VanDerWaalsContact CZ-O 3.25Å; R111-N256 PolarHBondContact NE-O 3.08Å; R111-N256 PolarHBondContact NH2-O 3.33Å; R111-S257 WeakPolarHBondContact CD-O 3.48Å; R111-L258 PolarHBondContact N-O 2.72Å; R111-V259 PolarHBondContact NE-O 3.03Å; R111-V259 VanDerWaalsContact NE-O 3.16Å; R111-E260 HydrophobicContact CG-CB 4Å |
| 112 | D | 93.6 | Very high | 94.6 | Very high | 104 Ų | 104 | 31 Ų | 31 | 56% | 0.556 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | 0.7 | 174.8 | 61.8 | -5.3 | 0 | 0 | 0 | 112.8 | A110 G114 R118 | A110-D112 WeakPolarHBondContact CB-OD1 3.27Å; A110-D112 PolarHBondContact O-N 2.97Å; D112-G114 PolarHBondContact O-N 2.87Å; D112-G114 PolarHBondContact OD1-N 2.79Å; D112-R118 VanDerWaalsContact CG-NH2 3.27Å; D112-R118 IonicContact OD1-CZ 2.98Å; D112-R118 IonicContact OD1-NH1 3.51Å; D112-R118 IonicContact OD1-NH2 2.9Å; D112-R118 PolarHBondContact OD1-NH2 2.82Å; D112-R118 IonicContact OD2-CZ 3.75Å; D112-R118 VanDerWaalsContact OD2-CZ 3.29Å; D112-R118 IonicContact OD2-NH1 3.66Å; D112-R118 PolarHBondContact OD2-NH1 3.23Å; D112-R118 IonicContact OD2-NH2 3.75Å; D112-R118 PolarHBondContact OD2-NH2 3.46Å |
| 113 | G | 90.6 | Very high | 94.7 | Very high | 54 Ų | 54 | 35 Ų | 35 | 56% | 0.557 | 19% | 0.186 | S | C | * | . | S | Bend | trans | 69 | 9.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114 | A110 R111 | A110-G113 WeakPolarHBondContact O-CA 3.33Å; A110-G113 PolarHBondContact O-N 3.16Å; R111-G113 PolarHBondContact O-N 2.74Å |
| 114 | G | 92.9 | Very high | 94.8 | Very high | 21 Ų | 21 | 35.8 Ų | 35.8 | 22% | 0.216 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -87.4 | -161.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | D112 V116 | D112-G114 PolarHBondContact O-N 2.87Å; D112-G114 PolarHBondContact OD1-N 2.79Å; G114-V116 PolarHBondContact O-N 3.26Å |
| 115 | N | 95.2 | Very high | 94.9 | Very high | 22 Ų | 22 | 35.8 Ų | 35.8 | 12% | 0.118 | 19% | 0.189 | C | C | . | . | trans | -69.4 | 125.6 | -177.3 | -170.7 | 4.8 | 0 | 0 | 0 | 112.4 | L117 R118 Y171 V218 E219 A220 | N115-L117 VanDerWaalsContact C-N 3.33Å; N115-L117 WeakPolarHBondContact OD1-CB 3.29Å; N115-L117 PolarHBondContact OD1-N 3.45Å; N115-R118 PolarHBondContact O-NE 2.79Å; N115-R118 PolarHBondContact O-NH2 3.42Å; N115-Y171 PolarHBondContact ND2-OH 3.04Å; N115-V218 PolarHBondContact ND2-O 3.35Å; N115-E219 HydrophobicContact CB-CB 3.96Å; N115-A220 CarbonylContact C-O 3.56Å; N115-A220 WeakPolarHBondContact CA-O 3.24Å; N115-A220 PolarHBondContact OD1-N 3.44Å; N115-A220 PolarHBondContact OD1-O 3.21Å | ||
| 116 | V | 95.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -17.9 | 176.2 | 80 | 0 | 0 | 0 | 0 | 112.5 | V108 G114 R118 I121 A220 W223 | V108-V116 HydrophobicContact CG1-CG2 4.39Å; G114-V116 PolarHBondContact O-N 3.26Å; V116-R118 PolarHBondContact O-N 3.44Å; V116-I121 HydrophobicContact CG2-CG2 3.68Å; V116-I121 WeakPolarHBondContact O-CB 3.42Å; V116-I121 WeakPolarHBondContact O-CG2 3.48Å; V116-A220 HydrophobicContact CG1-CB 4.09Å; V116-A220 WeakPolarHBondContact CG1-O 3.43Å; V116-A220 PolarHBondContact N-O 2.71Å; V116-W223 HydrophobicContact CG1-CB 4.13Å; V116-W223 HydrophobicContact CG2-CB 4.18Å |
| 117 | L | 94.7 | Very high | 94.8 | Very high | 6 Ų | 6 | 45.8 Ų | 45.8 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 4 | -177.9 | -58.1 | 178.1 | 0 | 0 | 0 | 114 | N115 S119 I167 Y171 L180 L198 V217 A220 W223 | N115-L117 VanDerWaalsContact C-N 3.33Å; N115-L117 WeakPolarHBondContact OD1-CB 3.29Å; N115-L117 PolarHBondContact OD1-N 3.45Å; L117-S119 PolarHBondContact O-N 2.9Å; L117-I167 HydrophobicContact CD2-CG2 3.7Å; L117-Y171 HydrophobicContact CB-CD1 3.9Å; L117-Y171 HydrophobicContact CB-CD2 4.08Å; L117-Y171 HydrophobicContact CB-CE1 3.88Å; L117-Y171 HydrophobicContact CB-CE2 4.05Å; L117-Y171 HydrophobicContact CB-CG 4.01Å; L117-Y171 HydrophobicContact CD1-CD2 3.74Å; L117-Y171 HydrophobicContact CD1-CE2 3.88Å; L117-Y171 HydrophobicContact CD1-CG 4.34Å; L117-Y171 VanDerWaalsContact O-CD1 3.25Å; L117-Y171 WeakPolarHBondContact O-CD1 3.35Å; L117-Y171 WeakPolarHBondContact O-CE1 3.34Å; L117-L180 HydrophobicContact CD1-CD2 4.1Å; L117-L198 HydrophobicContact CD1-CD1 4.48Å; L117-L198 HydrophobicContact CD2-CD1 4.41Å; L117-L198 HydrophobicContact CD2-CD2 3.88Å; L117-V217 HydrophobicContact CD1-CG1 3.64Å; L117-A220 HydrophobicContact CD1-CB 4Å; L117-A220 HydrophobicContact CG-CB 4.05Å; L117-W223 HydrophobicContact CD2-CE3 4.38Å; L117-W223 HydrophobicContact CD2-CZ3 4.25Å |
| 118 | R | 94.5 | Very high | 94.8 | Very high | 73 Ų | 73 | 45.8 Ų | 45.8 | 28% | 0.275 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -55.7 | 140.2 | 174 | -74.4 | 179.2 | -78 | -169.2 | -11.9 | 110.5 | D112 N115 V116 E120 I121 G122 | D112-R118 VanDerWaalsContact CG-NH2 3.27Å; D112-R118 IonicContact OD1-CZ 2.98Å; D112-R118 IonicContact OD1-NH1 3.51Å; D112-R118 IonicContact OD1-NH2 2.9Å; D112-R118 PolarHBondContact OD1-NH2 2.82Å; D112-R118 IonicContact OD2-CZ 3.75Å; D112-R118 VanDerWaalsContact OD2-CZ 3.29Å; D112-R118 IonicContact OD2-NH1 3.66Å; D112-R118 PolarHBondContact OD2-NH1 3.23Å; D112-R118 IonicContact OD2-NH2 3.75Å; D112-R118 PolarHBondContact OD2-NH2 3.46Å; N115-R118 PolarHBondContact O-NE 2.79Å; N115-R118 PolarHBondContact O-NH2 3.42Å; V116-R118 PolarHBondContact O-N 3.44Å; R118-E120 PolarHBondContact O-N 2.86Å; R118-E120 VanDerWaalsContact O-N 3.14Å; R118-I121 HydrophobicContact CB-CB 4.45Å; R118-I121 HydrophobicContact CB-CD1 4.46Å; R118-I121 HydrophobicContact CB-CG1 4.4Å; R118-I121 PolarHBondContact O-N 3.39Å; R118-G122 PolarHBondContact O-N 2.94Å |
| 119 | S | 92.9 | Very high | 94.7 | Very high | 51 Ų | 51 | 46.8 Ų | 46.8 | 36% | 0.357 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -54.6 | -37.2 | -178.5 | -173.7 | 0 | 0 | 0 | 0 | 113.4 | L117 G122 K123 | L117-S119 PolarHBondContact O-N 2.9Å; S119-G122 PolarHBondContact O-N 2.89Å; S119-K123 WeakPolarHBondContact O-CG 3.49Å; S119-K123 PolarHBondContact O-N 2.9Å; S119-K123 VanDerWaalsContact O-N 3.15Å |
| 120 | E | 93.8 | Very high | 94.7 | Very high | 125 Ų | 125 | 51.9 Ų | 51.9 | 58% | 0.584 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -63.7 | -45.6 | 175.6 | -62.7 | 173.9 | -172.2 | 0 | 0 | 112.4 | R118 K123 I124 L258 | R118-E120 PolarHBondContact O-N 2.86Å; R118-E120 VanDerWaalsContact O-N 3.14Å; E120-K123 PolarHBondContact O-N 2.89Å; E120-I124 WeakPolarHBondContact O-CG1 3.4Å; E120-I124 PolarHBondContact O-N 2.97Å; E120-L258 HydrophobicContact CB-CD1 4.34Å |
| 121 | I | 95.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.9 | -39.2 | 177.9 | -65.7 | 178.9 | 0 | 0 | 0 | 110.6 | A110 V116 R118 K123 I124 V125 V259 | A110-I121 HydrophobicContact CB-CD1 3.72Å; V116-I121 HydrophobicContact CG2-CG2 3.68Å; V116-I121 WeakPolarHBondContact O-CB 3.42Å; V116-I121 WeakPolarHBondContact O-CG2 3.48Å; R118-I121 HydrophobicContact CB-CB 4.45Å; R118-I121 HydrophobicContact CB-CD1 4.46Å; R118-I121 HydrophobicContact CB-CG1 4.4Å; R118-I121 PolarHBondContact O-N 3.39Å; I121-K123 VanDerWaalsContact C-N 3.29Å; I121-K123 PolarHBondContact O-N 2.85Å; I121-I124 CarbonylContact O-C 3.43Å; I121-I124 WeakPolarHBondContact O-CA 3.47Å; I121-I124 WeakPolarHBondContact O-CB 3.4Å; I121-I124 PolarHBondContact O-N 3.07Å; I121-V125 HydrophobicContact CG2-CG2 4.08Å; I121-V125 WeakPolarHBondContact O-CG2 3.32Å; I121-V125 PolarHBondContact O-N 3.43Å; I121-V259 HydrophobicContact CB-CG1 4.31Å; I121-V259 HydrophobicContact CD1-CG1 4.43Å; I121-V259 HydrophobicContact CG1-CG1 4.03Å; I121-V259 HydrophobicContact CG2-CG1 3.65Å |
| 122 | G | 94.2 | Very high | 94.7 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.8 | -41.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | R118 S119 V125 Q126 Q168 | R118-G122 PolarHBondContact O-N 2.94Å; S119-G122 PolarHBondContact O-N 2.89Å; G122-V125 PolarHBondContact O-N 2.89Å; G122-Q126 WeakPolarHBondContact O-CB 2.81Å; G122-Q126 PolarHBondContact O-N 2.75Å; G122-Q168 PolarHBondContact O-OE1 3.15Å |
| 123 | K | 94.6 | Very high | 94.8 | Very high | 119 Ų | 119 | 45 Ų | 45 | 52% | 0.517 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.8 | -44.2 | 172.7 | -70.2 | 175.5 | -176 | 178.9 | 0 | 112 | S119 E120 I121 V125 Q126 E127 | S119-K123 WeakPolarHBondContact O-CG 3.49Å; S119-K123 PolarHBondContact O-N 2.9Å; S119-K123 VanDerWaalsContact O-N 3.15Å; E120-K123 PolarHBondContact O-N 2.89Å; I121-K123 VanDerWaalsContact C-N 3.29Å; I121-K123 PolarHBondContact O-N 2.85Å; K123-V125 VanDerWaalsContact C-N 3.34Å; K123-V125 PolarHBondContact O-N 2.77Å; K123-Q126 PolarHBondContact O-N 3.33Å; K123-E127 WeakPolarHBondContact O-CG 3.35Å; K123-E127 PolarHBondContact O-N 3.12Å |
| 124 | I | 95.9 | Very high | 95 | Very high | 17 Ų | 17 | 46.8 Ų | 46.8 | 9% | 0.087 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.7 | -41.6 | 177.1 | -65.1 | 164.8 | 0 | 0 | 0 | 111.1 | E120 I121 Q126 E127 L128 L258 V259 | E120-I124 WeakPolarHBondContact O-CG1 3.4Å; E120-I124 PolarHBondContact O-N 2.97Å; I121-I124 CarbonylContact O-C 3.43Å; I121-I124 WeakPolarHBondContact O-CA 3.47Å; I121-I124 WeakPolarHBondContact O-CB 3.4Å; I121-I124 PolarHBondContact O-N 3.07Å; I124-Q126 VanDerWaalsContact C-N 3.32Å; I124-Q126 PolarHBondContact O-N 3.31Å; I124-E127 PolarHBondContact O-N 3.43Å; I124-L128 WeakPolarHBondContact O-CB 3.47Å; I124-L128 PolarHBondContact O-N 3.49Å; I124-L258 HydrophobicContact CD1-CB 4.09Å; I124-L258 HydrophobicContact CD1-CD1 3.96Å; I124-V259 HydrophobicContact CD1-CG1 4.36Å; I124-V259 HydrophobicContact CG2-CG1 4.13Å; I124-V259 HydrophobicContact CG2-CG2 3.63Å |
| 125 | V | 96.1 | Very high | 95 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.2 | -40.5 | 176.5 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | V108 I121 G122 K123 L128 N129 I164 W223 L225 | V108-V125 HydrophobicContact CB-CG2 4.37Å; V108-V125 HydrophobicContact CG1-CG2 3.96Å; V108-V125 HydrophobicContact CG2-CG2 4.43Å; I121-V125 HydrophobicContact CG2-CG2 4.08Å; I121-V125 WeakPolarHBondContact O-CG2 3.32Å; I121-V125 PolarHBondContact O-N 3.43Å; G122-V125 PolarHBondContact O-N 2.89Å; K123-V125 VanDerWaalsContact C-N 3.34Å; K123-V125 PolarHBondContact O-N 2.77Å; V125-L128 PolarHBondContact O-N 2.93Å; V125-N129 WeakPolarHBondContact O-CB 3.23Å; V125-N129 PolarHBondContact O-N 3.4Å; V125-I164 HydrophobicContact CG1-CD1 3.93Å; V125-I164 HydrophobicContact CG1-CG1 4.02Å; V125-I164 HydrophobicContact CG1-CG2 4.08Å; V125-W223 HydrophobicContact CB-CE3 4.27Å; V125-W223 HydrophobicContact CB-CZ3 4.36Å; V125-W223 HydrophobicContact CG1-CD2 4.11Å; V125-W223 HydrophobicContact CG1-CE3 3.96Å; V125-W223 HydrophobicContact CG1-CZ3 4.19Å; V125-W223 HydrophobicContact CG2-CE3 3.94Å; V125-W223 HydrophobicContact CG2-CZ3 4.39Å; V125-L225 HydrophobicContact CG1-CD1 4.31Å; V125-L225 HydrophobicContact CG1-CD2 4.16Å |
| 126 | Q | 95.4 | Very high | 95 | Very high | 105 Ų | 105 | 47 Ų | 47 | 49% | 0.491 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66 | -43.6 | 175.7 | -170.9 | 176.2 | 6.8 | 0 | 0 | 112.2 | G122 K123 I124 N129 H130 I164 | G122-Q126 WeakPolarHBondContact O-CB 2.81Å; G122-Q126 PolarHBondContact O-N 2.75Å; K123-Q126 PolarHBondContact O-N 3.33Å; I124-Q126 VanDerWaalsContact C-N 3.32Å; I124-Q126 PolarHBondContact O-N 3.31Å; Q126-N129 PolarHBondContact O-N 3.23Å; Q126-H130 WeakPolarHBondContact O-CB 3.5Å; Q126-H130 PolarHBondContact O-N 3.23Å; Q126-I164 HydrophobicContact CB-CG2 4.31Å |
| 127 | E | 94.9 | Very high | 95 | Very high | 127 Ų | 127 | 51.6 Ų | 51.6 | 59% | 0.593 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -63.2 | -42.7 | 174.3 | -74 | 173.8 | -173.6 | 0 | 0 | 111.7 | K123 I124 H130 F131 | K123-E127 WeakPolarHBondContact O-CG 3.35Å; K123-E127 PolarHBondContact O-N 3.12Å; I124-E127 PolarHBondContact O-N 3.43Å; E127-H130 PolarHBondContact O-N 3Å; E127-F131 WeakPolarHBondContact O-CB 3.16Å; E127-F131 PolarHBondContact O-N 3.35Å |
| 128 | L | 96 | Very high | 95 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 175.8 | 179.5 | 63.5 | 0 | 0 | 0 | 110.9 | V106 V108 I124 V125 H130 F131 I132 L251 Y254 V261 | V106-L128 HydrophobicContact CG1-CD2 4.49Å; V108-L128 HydrophobicContact CG2-CD2 3.86Å; I124-L128 WeakPolarHBondContact O-CB 3.47Å; I124-L128 PolarHBondContact O-N 3.49Å; V125-L128 PolarHBondContact O-N 2.93Å; L128-H130 VanDerWaalsContact C-N 3.35Å; L128-H130 PolarHBondContact O-N 3.45Å; L128-F131 PolarHBondContact O-N 3.39Å; L128-I132 HydrophobicContact CD1-CD1 4.09Å; L128-I132 HydrophobicContact CD1-CG1 4.37Å; L128-I132 HydrophobicContact CG-CD1 3.94Å; L128-I132 VanDerWaalsContact O-CG1 3.3Å; L128-I132 WeakPolarHBondContact O-CG1 3.32Å; L128-I132 PolarHBondContact O-N 3.17Å; L128-L251 HydrophobicContact CD1-CD2 3.86Å; L128-Y254 HydrophobicContact CD1-CD1 4.41Å; L128-Y254 HydrophobicContact CD1-CD2 4.15Å; L128-Y254 HydrophobicContact CD1-CE1 4.21Å; L128-Y254 HydrophobicContact CD1-CE2 3.94Å; L128-Y254 HydrophobicContact CD1-CG 4.38Å; L128-V261 HydrophobicContact CD2-CG2 3.92Å |
| 129 | N | 96.1 | Very high | 95 | Very high | 20 Ų | 20 | 53.4 Ų | 53.4 | 11% | 0.107 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.9 | -43.4 | 175.5 | -179.4 | 65 | 0 | 0 | 0 | 111.5 | V125 Q126 F131 I132 V133 N161 I164 Y227 | V125-N129 WeakPolarHBondContact O-CB 3.23Å; V125-N129 PolarHBondContact O-N 3.4Å; Q126-N129 PolarHBondContact O-N 3.23Å; N129-F131 VanDerWaalsContact C-N 3.34Å; N129-F131 PolarHBondContact O-N 3.21Å; N129-I132 PolarHBondContact O-N 3.48Å; N129-V133 VanDerWaalsContact O-CG2 3.27Å; N129-V133 WeakPolarHBondContact O-CG2 3.41Å; N129-V133 PolarHBondContact O-N 3.48Å; N129-N161 PolarHBondContact OD1-ND2 2.94Å; N129-I164 HydrophobicContact CB-CD1 3.61Å; N129-Y227 WeakPolarHBondContact CA-OH 3.35Å; N129-Y227 WeakPolarHBondContact OD1-CE1 3.43Å; N129-Y227 PolarHBondContact OD1-OH 2.98Å |
| 130 | H | 95.5 | Very high | 95 | Very high | 118 Ų | 118 | 53.5 Ų | 53.5 | 55% | 0.546 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 176.1 | -175.9 | 77.4 | 0 | 0 | 0 | 112.1 | Q126 E127 L128 V133 H134 | Q126-H130 WeakPolarHBondContact O-CB 3.5Å; Q126-H130 PolarHBondContact O-N 3.23Å; E127-H130 PolarHBondContact O-N 3Å; L128-H130 VanDerWaalsContact C-N 3.35Å; L128-H130 PolarHBondContact O-N 3.45Å; H130-V133 PolarHBondContact O-N 2.84Å; H130-H134 AromaticContact CE1-CE1 3.87Å; H130-H134 AromaticContact CE1-ND1 3.44Å; H130-H134 PolarHBondContact CE1-ND1 3.19Å; H130-H134 AromaticContact ND1-CE1 3.73Å; H130-H134 AromaticContact ND1-ND1 3.36Å; H130-H134 PolarHBondContact ND1-ND1 3.5Å; H130-H134 PolarHBondContact O-N 3.22Å; H130-H134 PolarHBondContact O-ND1 3.44Å |
| 131 | F | 95.7 | Very high | 94.8 | Very high | 77 Ų | 77 | 53.9 Ų | 53.9 | 34% | 0.338 | 27% | 0.273 | S | S | . | . | I | π-helix | trans | -62.2 | -45.3 | 175.9 | 172.1 | -106.2 | 0 | 0 | 0 | 112.2 | E127 L128 N129 V133 G135 I136 | E127-F131 WeakPolarHBondContact O-CB 3.16Å; E127-F131 PolarHBondContact O-N 3.35Å; L128-F131 PolarHBondContact O-N 3.39Å; N129-F131 VanDerWaalsContact C-N 3.34Å; N129-F131 PolarHBondContact O-N 3.21Å; F131-V133 VanDerWaalsContact C-N 3.34Å; F131-V133 PolarHBondContact O-N 2.67Å; F131-G135 CarbonylContact O-C 3.59Å; F131-G135 WeakPolarHBondContact O-CA 3.43Å; F131-G135 PolarHBondContact O-N 2.87Å; F131-I136 HydrophobicContact CE1-CD1 4.23Å; F131-I136 HydrophobicContact CE1-CG1 4.11Å; F131-I136 HydrophobicContact CZ-CG1 4.29Å; F131-I136 PolarHBondContact O-N 3.13Å |
| 132 | I | 96.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | I | π-helix | trans | -62.9 | -43 | 178 | -68.3 | 164.6 | 0 | 0 | 0 | 110.7 | V106 L128 N129 I136 Y227 W243 F247 L251 | V106-I132 HydrophobicContact CG2-CD1 4.08Å; L128-I132 HydrophobicContact CD1-CD1 4.09Å; L128-I132 HydrophobicContact CD1-CG1 4.37Å; L128-I132 HydrophobicContact CG-CD1 3.94Å; L128-I132 VanDerWaalsContact O-CG1 3.3Å; L128-I132 WeakPolarHBondContact O-CG1 3.32Å; L128-I132 PolarHBondContact O-N 3.17Å; N129-I132 PolarHBondContact O-N 3.48Å; I132-I136 HydrophobicContact CB-CD1 4.32Å; I132-I136 HydrophobicContact CG1-CD1 4.12Å; I132-I136 HydrophobicContact CG2-CD1 4.35Å; I132-Y227 HydrophobicContact CB-CE1 4.22Å; I132-Y227 HydrophobicContact CB-CE2 4.43Å; I132-Y227 HydrophobicContact CD1-CE2 3.74Å; I132-Y227 WeakPolarHBondContact CD1-OH 3.39Å; I132-Y227 HydrophobicContact CG2-CD1 3.96Å; I132-Y227 HydrophobicContact CG2-CD2 4.11Å; I132-Y227 HydrophobicContact CG2-CE1 3.66Å; I132-Y227 HydrophobicContact CG2-CE2 3.82Å; I132-Y227 HydrophobicContact CG2-CG 4.17Å; I132-W243 HydrophobicContact CG2-CH2 3.89Å; I132-W243 HydrophobicContact CG2-CZ2 4.22Å; I132-F247 HydrophobicContact CD1-CE2 4.34Å; I132-F247 HydrophobicContact CG2-CD2 4.07Å; I132-F247 HydrophobicContact CG2-CE2 4.09Å; I132-L251 HydrophobicContact CD1-CD1 4.27Å; I132-L251 HydrophobicContact CD1-CD2 4.12Å; I132-L251 HydrophobicContact CG1-CD2 4.12Å |
| 133 | V | 94.7 | Very high | 94.6 | Very high | 6 Ų | 6 | 62.2 Ų | 62.2 | 4% | 0.036 | 33% | 0.331 | C | S | . | . | I | π-helix | trans | -70.3 | -44.5 | -176.2 | 173 | 0 | 0 | 0 | 0 | 112.4 | N129 H130 F131 Y147 T160 Y227 | N129-V133 VanDerWaalsContact O-CG2 3.27Å; N129-V133 WeakPolarHBondContact O-CG2 3.41Å; N129-V133 PolarHBondContact O-N 3.48Å; H130-V133 PolarHBondContact O-N 2.84Å; F131-V133 VanDerWaalsContact C-N 3.34Å; F131-V133 PolarHBondContact O-N 2.67Å; V133-Y147 HydrophobicContact CB-CD1 4.36Å; V133-Y147 HydrophobicContact CG1-CD1 4.12Å; V133-Y147 HydrophobicContact CG2-CD1 3.88Å; V133-Y147 HydrophobicContact CG2-CE1 4.5Å; V133-Y147 WeakPolarHBondContact O-CB 3.48Å; V133-Y147 PolarHBondContact O-N 3.4Å; V133-T160 HydrophobicContact CG2-CG2 4.31Å; V133-Y227 HydrophobicContact CG2-CE1 4Å |
| 134 | H | 94.3 | Very high | 94.5 | Very high | 92 Ų | 92 | 62.8 Ų | 62.8 | 43% | 0.426 | 34% | 0.335 | S | S | . | . | I | π-helix | trans | -110.3 | -32.8 | -170.1 | -57.1 | 92 | 0 | 0 | 0 | 114.1 | H130 | H130-H134 AromaticContact CE1-CE1 3.87Å; H130-H134 AromaticContact CE1-ND1 3.44Å; H130-H134 PolarHBondContact CE1-ND1 3.19Å; H130-H134 AromaticContact ND1-CE1 3.73Å; H130-H134 AromaticContact ND1-ND1 3.36Å; H130-H134 PolarHBondContact ND1-ND1 3.5Å; H130-H134 PolarHBondContact O-N 3.22Å; H130-H134 PolarHBondContact O-ND1 3.44Å |
| 135 | G | 93.5 | Very high | 94.5 | Very high | 44 Ų | 44 | 62.9 Ų | 62.9 | 45% | 0.454 | 34% | 0.335 | S | S | . | . | I | π-helix | trans | -82.9 | -27.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114 | F131 Q137 | F131-G135 CarbonylContact O-C 3.59Å; F131-G135 WeakPolarHBondContact O-CA 3.43Å; F131-G135 PolarHBondContact O-N 2.87Å; G135-Q137 PolarHBondContact O-N 3.11Å |
| 136 | I | 95.9 | Very high | 94.4 | Very high | 3 Ų | 3 | 63.8 Ų | 63.8 | 2% | 0.015 | 34% | 0.341 | C | S | . | . | trans | -86.7 | 110.4 | 177.6 | -55.1 | -178.8 | 0 | 0 | 0 | 109.3 | F131 I132 W243 A246 F247 | F131-I136 HydrophobicContact CE1-CD1 4.23Å; F131-I136 HydrophobicContact CE1-CG1 4.11Å; F131-I136 HydrophobicContact CZ-CG1 4.29Å; F131-I136 PolarHBondContact O-N 3.13Å; I132-I136 HydrophobicContact CB-CD1 4.32Å; I132-I136 HydrophobicContact CG1-CD1 4.12Å; I132-I136 HydrophobicContact CG2-CD1 4.35Å; I136-W243 HydrophobicContact CB-CZ2 4.21Å; I136-W243 HydrophobicContact CG2-CZ2 4.19Å; I136-W243 PolarHBondContact O-NE1 2.86Å; I136-W243 VanDerWaalsContact O-NE1 3.11Å; I136-A246 HydrophobicContact CG2-CB 3.95Å; I136-F247 HydrophobicContact CD1-CD2 4.28Å | ||
| 137 | Q | 94.6 | Very high | 94.4 | Very high | 98 Ų | 98 | 58.8 Ų | 58.8 | 46% | 0.458 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 149.4 | -177.9 | -62.5 | -177.5 | -20.4 | 0 | 0 | 111.6 | G135 Y145 | G135-Q137 PolarHBondContact O-N 3.11Å; Q137-Y145 CarbonylContact C-O 3.54Å; Q137-Y145 VanDerWaalsContact CA-O 3.28Å; Q137-Y145 WeakPolarHBondContact CA-O 3.23Å |
| 138 | I | 96 | Very high | 94.2 | Very high | 18 Ų | 18 | 55.8 Ų | 55.8 | 9% | 0.092 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 147.2 | 169.4 | 62.7 | 169.6 | 0 | 0 | 0 | 109.4 | E144 Y145 L150 L239 L242 W243 A246 | I138-E144 WeakPolarHBondContact O-CA 3.49Å; I138-Y145 PolarHBondContact N-O 2.82Å; I138-Y145 PolarHBondContact O-N 3.06Å; I138-L150 HydrophobicContact CD1-CD1 4.22Å; I138-L239 HydrophobicContact CD1-CD2 4.35Å; I138-L239 VanDerWaalsContact CD1-O 3.27Å; I138-L239 WeakPolarHBondContact CD1-O 3.37Å; I138-L242 HydrophobicContact CD1-CB 3.73Å; I138-W243 HydrophobicContact CD1-CB 4.09Å; I138-W243 HydrophobicContact CG2-CB 4.42Å; I138-A246 HydrophobicContact CG2-CB 3.62Å |
| 139 | V | 94.2 | Very high | 94 | Very high | 98 Ų | 98 | 58.1 Ų | 58.1 | 59% | 0.594 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 121.2 | 174 | -170.2 | 0 | 0 | 0 | 0 | 108.5 | E143 E144 | V139-E143 WeakPolarHBondContact CA-O 3.41Å; V139-E144 HydrophobicContact CG2-CG 4.18Å |
| 140 | H | 92.4 | Very high | 93.9 | Very high | 53 Ų | 53 | 57.1 Ų | 57.1 | 25% | 0.245 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 130.7 | 175.1 | -167.6 | 70 | 0 | 0 | 0 | 109.1 | G142 E143 Y145 L239 | H140-G142 PolarHBondContact O-N 2.83Å; H140-G142 VanDerWaalsContact O-N 3.11Å; H140-E143 PolarHBondContact N-O 3.15Å; H140-E143 PolarHBondContact O-N 3.13Å; H140-Y145 HydrophobicContact CB-CD2 4.4Å; H140-Y145 HydrophobicContact CB-CE2 4.17Å; H140-L239 HydrophobicContact CB-CD2 3.58Å |
| 141 | D | 90.1 | Very high | 93.8 | Very high | 133 Ų | 133 | 51.9 Ų | 51.9 | 71% | 0.711 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 30 | -175.4 | -60.5 | -27.4 | 0 | 0 | 0 | 114.9 | E143 | D141-E143 VanDerWaalsContact C-N 3.26Å; D141-E143 PolarHBondContact O-N 2.78Å |
| 142 | G | 91 | Very high | 93.5 | Very high | 71 Ų | 71 | 48.2 Ų | 48.2 | 73% | 0.732 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.7 | -2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | H140 | H140-G142 PolarHBondContact O-N 2.83Å; H140-G142 VanDerWaalsContact O-N 3.11Å |
| 143 | E | 93.2 | Very high | 93.1 | Very high | 106 Ų | 106 | 49 Ų | 49 | 50% | 0.495 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 142.1 | 173.5 | -67.3 | -177.1 | 166.7 | 0 | 0 | 111 | V139 H140 D141 Y145 R235 | V139-E143 WeakPolarHBondContact CA-O 3.41Å; H140-E143 PolarHBondContact N-O 3.15Å; H140-E143 PolarHBondContact O-N 3.13Å; D141-E143 VanDerWaalsContact C-N 3.26Å; D141-E143 PolarHBondContact O-N 2.78Å; E143-Y145 HydrophobicContact CB-CD2 4.44Å; E143-Y145 HydrophobicContact CB-CE2 3.65Å; E143-Y145 WeakPolarHBondContact O-CD2 3.41Å; E143-Y145 PolarHBondContact OE2-OH 2.77Å; E143-R235 IonicContact OE2-NH2 2.75Å |
| 144 | E | 93.8 | Very high | 92.5 | Very high | 132 Ų | 132 | 49.6 Ų | 49.6 | 62% | 0.617 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 127 | 175.2 | -63.5 | -173.7 | 165.8 | 0 | 0 | 110.4 | I138 V139 | I138-E144 WeakPolarHBondContact O-CA 3.49Å; V139-E144 HydrophobicContact CG2-CG 4.18Å |
| 145 | Y | 94.9 | Very high | 91.7 | Very high | 19 Ų | 19 | 49.1 Ų | 49.1 | 8% | 0.075 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 128.8 | 176.7 | -60.1 | -93.6 | 0 | 0 | 0 | 110.1 | Q137 I138 H140 E143 S149 L150 R235 L239 | Q137-Y145 CarbonylContact C-O 3.54Å; Q137-Y145 VanDerWaalsContact CA-O 3.28Å; Q137-Y145 WeakPolarHBondContact CA-O 3.23Å; I138-Y145 PolarHBondContact N-O 2.82Å; I138-Y145 PolarHBondContact O-N 3.06Å; H140-Y145 HydrophobicContact CB-CD2 4.4Å; H140-Y145 HydrophobicContact CB-CE2 4.17Å; E143-Y145 HydrophobicContact CB-CD2 4.44Å; E143-Y145 HydrophobicContact CB-CE2 3.65Å; E143-Y145 WeakPolarHBondContact O-CD2 3.41Å; E143-Y145 PolarHBondContact OE2-OH 2.77Å; Y145-S149 WeakPolarHBondContact CA-OG 3.38Å; Y145-L150 HydrophobicContact CD1-CD2 3.94Å; Y145-L150 HydrophobicContact CD1-CG 4.47Å; Y145-L150 HydrophobicContact CG-CD2 4.4Å; Y145-R235 PolarHBondContact OH-NH2 2.74Å; Y145-L239 HydrophobicContact CD1-CD1 4.2Å; Y145-L239 HydrophobicContact CD2-CD2 4.11Å; Y145-L239 HydrophobicContact CE1-CD1 3.84Å; Y145-L239 HydrophobicContact CE2-CD1 4.33Å; Y145-L239 HydrophobicContact CE2-CD2 4.04Å |
| 146 | S | 94.5 | Very high | 91.1 | Very high | 18 Ų | 18 | 50.1 Ų | 50.1 | 13% | 0.126 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | -179.5 | 174 | 66.3 | 0 | 0 | 0 | 0 | 109.6 | S148 S149 L150 | S146-S148 PolarHBondContact O-N 2.85Å; S146-S148 PolarHBondContact OG-OG 3.49Å; S146-S149 PolarHBondContact N-OG 2.9Å; S146-S149 VanDerWaalsContact N-OG 3.1Å; S146-S149 PolarHBondContact O-N 2.84Å; S146-S149 PolarHBondContact O-OG 3.02Å; S146-S149 VanDerWaalsContact O-OG 3.07Å; S146-L150 PolarHBondContact O-N 2.61Å |
| 147 | Y | 95 | Very high | 90.6 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 0% | 0.004 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -56.9 | -42.2 | 175.3 | -178.7 | -108 | 0 | 0 | 0 | 111.6 | V133 S149 L150 C151 L159 T160 Y227 Q228 L229 W243 | V133-Y147 HydrophobicContact CB-CD1 4.36Å; V133-Y147 HydrophobicContact CG1-CD1 4.12Å; V133-Y147 HydrophobicContact CG2-CD1 3.88Å; V133-Y147 HydrophobicContact CG2-CE1 4.5Å; V133-Y147 WeakPolarHBondContact O-CB 3.48Å; V133-Y147 PolarHBondContact O-N 3.4Å; Y147-S149 PolarHBondContact O-N 3.41Å; Y147-S149 VanDerWaalsContact O-N 3.16Å; Y147-L150 CarbonylContact O-C 3.57Å; Y147-L150 PolarHBondContact O-N 2.95Å; Y147-C151 HydrophobicContact CD1-CB 4.02Å; Y147-C151 HydrophobicContact CD2-CB 4.23Å; Y147-C151 HydrophobicContact CE1-CB 3.56Å; Y147-C151 HydrophobicContact CE2-CB 3.73Å; Y147-C151 HydrophobicContact CG-CB 4.34Å; Y147-C151 WeakPolarHBondContact O-CB 3.41Å; Y147-C151 PolarHBondContact O-N 3.46Å; Y147-C151 PolarHBondContact O-SG 3.02Å; Y147-L159 PolarHBondContact OH-O 2.93Å; Y147-T160 HydrophobicContact CE1-CG2 4.49Å; Y147-Y227 HydrophobicContact CD1-CD1 4.39Å; Y147-Y227 HydrophobicContact CD2-CD1 4.38Å; Y147-Y227 HydrophobicContact CE1-CD1 4.08Å; Y147-Y227 HydrophobicContact CE2-CD1 4.13Å; Y147-Y227 HydrophobicContact CE2-CG 4.37Å; Y147-Y227 AromaticContact CZ-CD1 3.96Å; Y147-Q228 PolarHBondContact OH-N 3.15Å; Y147-Q228 PolarHBondContact OH-O 3.43Å; Y147-L229 HydrophobicContact CD2-CD2 3.59Å; Y147-L229 HydrophobicContact CE2-CD2 3.74Å; Y147-L229 HydrophobicContact CE2-CG 4.45Å; Y147-W243 AromaticContact CD2-CH2 3.91Å; Y147-W243 HydrophobicContact CD2-CH2 3.91Å; Y147-W243 HydrophobicContact CD2-CZ2 4.08Å; Y147-W243 HydrophobicContact CD2-CZ3 4.41Å; Y147-W243 HydrophobicContact CG-CZ2 4.35Å |
| 148 | S | 91.3 | Very high | 90.2 | Very high | 63 Ų | 63 | 51.1 Ų | 51.1 | 44% | 0.441 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.6 | -22.1 | -175.7 | 62.8 | 0 | 0 | 0 | 0 | 114 | S146 C151 | S146-S148 PolarHBondContact O-N 2.85Å; S146-S148 PolarHBondContact OG-OG 3.49Å; S148-C151 PolarHBondContact O-SG 2.85Å |
| 149 | S | 91.1 | Very high | 89.4 | Confident | 50 Ų | 50 | 52.1 Ų | 52.1 | 35% | 0.35 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -92.1 | -17.5 | 174.8 | 63.2 | 0 | 0 | 0 | 0 | 113.9 | Y145 S146 Y147 | Y145-S149 WeakPolarHBondContact CA-OG 3.38Å; S146-S149 PolarHBondContact N-OG 2.9Å; S146-S149 VanDerWaalsContact N-OG 3.1Å; S146-S149 PolarHBondContact O-N 2.84Å; S146-S149 PolarHBondContact O-OG 3.02Å; S146-S149 VanDerWaalsContact O-OG 3.07Å; Y147-S149 PolarHBondContact O-N 3.41Å; Y147-S149 VanDerWaalsContact O-N 3.16Å |
| 150 | L | 93.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -111 | -11.1 | -177.3 | -63.3 | 177.6 | 0 | 0 | 0 | 113.8 | I138 Y145 S146 Y147 L229 R230 Y236 L239 W243 | I138-L150 HydrophobicContact CD1-CD1 4.22Å; Y145-L150 HydrophobicContact CD1-CD2 3.94Å; Y145-L150 HydrophobicContact CD1-CG 4.47Å; Y145-L150 HydrophobicContact CG-CD2 4.4Å; S146-L150 PolarHBondContact O-N 2.61Å; Y147-L150 CarbonylContact O-C 3.57Å; Y147-L150 PolarHBondContact O-N 2.95Å; L150-L229 HydrophobicContact CB-CD2 3.96Å; L150-L229 CarbonylContact O-C 3.6Å; L150-L229 WeakPolarHBondContact O-CA 3.4Å; L150-R230 WeakPolarHBondContact O-CB 3.4Å; L150-R230 WeakPolarHBondContact O-CG 3.42Å; L150-R230 PolarHBondContact O-N 3.21Å; L150-Y236 HydrophobicContact CD2-CD1 4.06Å; L150-Y236 HydrophobicContact CD2-CE1 4.38Å; L150-L239 HydrophobicContact CD1-CB 4.49Å; L150-L239 HydrophobicContact CD2-CB 3.8Å; L150-L239 HydrophobicContact CD2-CD1 4.18Å; L150-W243 HydrophobicContact CD1-CB 3.74Å; L150-W243 HydrophobicContact CD1-CG 3.99Å |
| 151 | C | 92.6 | Very high | 88.8 | Confident | 7 Ų | 7 | 47.1 Ų | 47.1 | 5% | 0.047 | 29% | 0.294 | C | S | . | . | B | Isolated β-bridge | trans | -69.1 | 151.9 | -178.1 | 61.4 | 0 | 0 | 0 | 0 | 112 | Y147 S148 C158 Q228 R230 | Y147-C151 HydrophobicContact CD1-CB 4.02Å; Y147-C151 HydrophobicContact CD2-CB 4.23Å; Y147-C151 HydrophobicContact CE1-CB 3.56Å; Y147-C151 HydrophobicContact CE2-CB 3.73Å; Y147-C151 HydrophobicContact CG-CB 4.34Å; Y147-C151 WeakPolarHBondContact O-CB 3.41Å; Y147-C151 PolarHBondContact O-N 3.46Å; Y147-C151 PolarHBondContact O-SG 3.02Å; S148-C151 PolarHBondContact O-SG 2.85Å; C151-C158 HydrophobicContact CB-CB 4.32Å; C151-C158 WeakPolarHBondContact CB-SG 3.29Å; C151-C158 WeakPolarHBondContact SG-CB 3.32Å; C151-C158 CovalentContact SG-SG 2Å; C151-C158 PolarHBondContact SG-SG 3.5Å; C151-Q228 WeakPolarHBondContact CA-O 3.29Å; C151-R230 WeakPolarHBondContact O-CG 3.29Å |
| 152 | M | 90.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -79.1 | 127.7 | 173 | -163.1 | 171.9 | -76.4 | 0 | 0 | 109.7 | L87 E89 Y92 Q228 R230 F231 | L87-M152 HydrophobicContact CD2-SD 4.2Å; E89-M152 VanDerWaalsContact OE2-CA 3.31Å; E89-M152 WeakPolarHBondContact OE2-CA 3.49Å; E89-M152 WeakPolarHBondContact OE2-CG 3.43Å; Y92-M152 HydrophobicContact CD1-CB 4.27Å; Y92-M152 HydrophobicContact CD2-SD 4.36Å; Y92-M152 HydrophobicContact CG-CB 4.31Å; Y92-M152 HydrophobicContact CG-CG 4.26Å; Y92-M152 HydrophobicContact CG-SD 4.13Å; M152-Q228 HydrophobicContact CB-CG 4.02Å; M152-Q228 PolarHBondContact N-O 2.79Å; M152-Q228 VanDerWaalsContact N-O 3.15Å; M152-Q228 HydrophobicContact SD-CG 4.36Å; M152-R230 HydrophobicContact CB-CG 4.34Å; M152-F231 HydrophobicContact CE-CD1 4.07Å; M152-F231 HydrophobicContact CE-CE1 3.75Å; M152-F231 HydrophobicContact CE-CZ 4.29Å |
| 153 | S | 88.3 | Confident | 88.4 | Confident | 17 Ų | 17 | 44.3 Ų | 44.3 | 12% | 0.119 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 151.1 | 178.6 | 73.8 | 0 | 0 | 0 | 0 | 112.8 | E89 G90 S157 | E89-S153 WeakPolarHBondContact OE1-CB 3.48Å; E89-S153 PolarHBondContact OE1-N 2.98Å; E89-S153 PolarHBondContact OE1-OG 2.98Å; E89-S153 PolarHBondContact OE2-N 3.35Å; E89-S153 VanDerWaalsContact OE2-N 3.16Å; G90-S153 CarbonylContact C-O 3.56Å; G90-S153 WeakPolarHBondContact CA-O 3.14Å; G90-S153 PolarHBondContact N-O 3.04Å; G90-S153 PolarHBondContact N-OG 3.4Å; S153-S157 CarbonylContact C-O 3.19Å; S153-S157 VanDerWaalsContact CA-O 3.26Å; S153-S157 WeakPolarHBondContact CA-O 3.42Å; S153-S157 WeakPolarHBondContact CB-O 3.11Å |
| 154 | S | 81.7 | Confident | 88.3 | Confident | 18 Ų | 18 | 39.5 Ų | 39.5 | 13% | 0.126 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 116.2 | 164 | -171.4 | 0 | 0 | 0 | 0 | 108.1 | Y92 G156 S157 | Y92-S154 WeakPolarHBondContact O-CB 3.32Å; Y92-S154 PolarHBondContact O-OG 3.21Å; S154-G156 PolarHBondContact O-N 2.9Å; S154-G156 VanDerWaalsContact O-N 3.15Å; S154-S157 PolarHBondContact N-O 3.32Å; S154-S157 PolarHBondContact O-N 2.9Å; S154-S157 VanDerWaalsContact O-N 3.11Å |
| 155 | Y | 77.6 | Confident | 88.2 | Confident | 82 Ų | 82 | 34.8 Ų | 34.8 | 32% | 0.322 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 39.2 | -178.8 | -51.1 | -70.8 | 0 | 0 | 0 | 113.4 | G90 K661 | G90-Y155 PolarHBondContact O-N 3.21Å; Y155-K661 HydrophobicContact CD1-CD 4.41Å; Y155-K661 VanDerWaalsContact CD1-CE 3.43Å; Y155-K661 VanDerWaalsContact CD1-NZ 3.28Å; Y155-K661 HydrophobicContact CD2-CD 4.05Å; Y155-K661 HydrophobicContact CE1-CD 4.29Å; Y155-K661 VanDerWaalsContact CE1-CE 3.42Å; Y155-K661 HydrophobicContact CE1-CG 4.36Å; Y155-K661 HydrophobicContact CE2-CD 3.92Å; Y155-K661 HydrophobicContact CE2-CG 3.88Å; Y155-K661 HydrophobicContact CG-CD 4.28Å; Y155-K661 VanDerWaalsContact CG-NZ 3.34Å; Y155-K661 PolarHBondContact OH-O 3.22Å |
| 156 | G | 80.6 | Confident | 87.9 | Confident | 66 Ų | 66 | 36.5 Ų | 36.5 | 68% | 0.68 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 87.7 | -2.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | S154 | S154-G156 PolarHBondContact O-N 2.9Å; S154-G156 VanDerWaalsContact O-N 3.15Å |
| 157 | S | 84.9 | Confident | 87.8 | Confident | 80 Ų | 80 | 35.7 Ų | 35.7 | 56% | 0.559 | 23% | 0.229 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 137.7 | 175.1 | -62.4 | 0 | 0 | 0 | 0 | 111.5 | S153 S154 L159 | S153-S157 CarbonylContact C-O 3.19Å; S153-S157 VanDerWaalsContact CA-O 3.26Å; S153-S157 WeakPolarHBondContact CA-O 3.42Å; S153-S157 WeakPolarHBondContact CB-O 3.11Å; S154-S157 PolarHBondContact N-O 3.32Å; S154-S157 PolarHBondContact O-N 2.9Å; S154-S157 VanDerWaalsContact O-N 3.11Å; S157-L159 PolarHBondContact O-N 3.24Å |
| 158 | C | 86.6 | Confident | 87.7 | Confident | 42 Ų | 42 | 36.8 Ų | 36.8 | 28% | 0.284 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 120.9 | 170.5 | -175 | 0 | 0 | 0 | 0 | 109.7 | C151 T160 | C151-C158 HydrophobicContact CB-CB 4.32Å; C151-C158 WeakPolarHBondContact CB-SG 3.29Å; C151-C158 WeakPolarHBondContact SG-CB 3.32Å; C151-C158 CovalentContact SG-SG 2Å; C151-C158 PolarHBondContact SG-SG 3.5Å; C158-T160 PolarHBondContact O-N 3.49Å |
| 159 | L | 79.6 | Confident | 87.7 | Confident | 38 Ų | 38 | 40.8 Ų | 40.8 | 20% | 0.199 | 24% | 0.239 | C | C | . | . | trans | -77.5 | 121.6 | 177 | -83.4 | 158.7 | 0 | 0 | 0 | 110.2 | Y92 P94 Y147 S157 | Y92-L159 HydrophobicContact CD1-CB 4.22Å; Y92-L159 HydrophobicContact CD1-CD1 3.32Å; Y92-L159 HydrophobicContact CD1-CG 4.41Å; Y92-L159 HydrophobicContact CE1-CB 4.11Å; Y92-L159 HydrophobicContact CE1-CD1 3.7Å; Y92-L159 HydrophobicContact CG-CD1 4.14Å; P94-L159 HydrophobicContact CG-CB 4.46Å; P94-L159 HydrophobicContact CG-CD1 3.69Å; P94-L159 HydrophobicContact CG-CD2 3.87Å; P94-L159 HydrophobicContact CG-CG 4.24Å; Y147-L159 PolarHBondContact OH-O 2.93Å; S157-L159 PolarHBondContact O-N 3.24Å | ||
| 160 | T | 83 | Confident | 87.7 | Confident | 39 Ų | 39 | 38.7 Ų | 38.7 | 24% | 0.239 | 22% | 0.224 | C | C | . | . | trans | -111.8 | -175.3 | 170 | 88.6 | 0 | 0 | 0 | 0 | 110.3 | V133 Y147 C158 D162 | V133-T160 HydrophobicContact CG2-CG2 4.31Å; Y147-T160 HydrophobicContact CE1-CG2 4.49Å; C158-T160 PolarHBondContact O-N 3.49Å; T160-D162 PolarHBondContact O-N 3.37Å; T160-D162 PolarHBondContact OG1-OD1 3.16Å | ||
| 161 | N | 90.1 | Very high | 87.6 | Confident | 8 Ų | 8 | 41.8 Ų | 41.8 | 4% | 0.043 | 24% | 0.236 | C | C | . | . | trans | -80 | 57.2 | 178.8 | -64.9 | -77.1 | 0 | 0 | 0 | 111.8 | N129 H163 I164 L225 V226 Y227 | N129-N161 PolarHBondContact OD1-ND2 2.94Å; N161-H163 PolarHBondContact O-N 3.08Å; N161-H163 VanDerWaalsContact O-N 3.11Å; N161-H163 PolarHBondContact OD1-CE1 3.32Å; N161-H163 VanDerWaalsContact OD1-CE1 3.22Å; N161-I164 HydrophobicContact CB-CD1 3.5Å; N161-I164 HydrophobicContact CB-CG1 3.93Å; N161-I164 VanDerWaalsContact O-CB 3.31Å; N161-I164 WeakPolarHBondContact O-CB 3.46Å; N161-I164 WeakPolarHBondContact O-CD1 3.46Å; N161-I164 WeakPolarHBondContact O-CG1 3.43Å; N161-I164 PolarHBondContact O-N 3.45Å; N161-L225 HydrophobicContact CB-CD2 4.04Å; N161-L225 WeakPolarHBondContact OD1-CA 3.41Å; N161-V226 PolarHBondContact ND2-O 2.88Å; N161-V226 PolarHBondContact OD1-N 3.3Å; N161-V226 PolarHBondContact OD1-O 2.99Å; N161-Y227 WeakPolarHBondContact ND2-CE1 3.38Å; N161-Y227 PolarHBondContact ND2-OH 3.18Å | ||
| 162 | D | 85.2 | Confident | 87.5 | Confident | 105 Ų | 105 | 44.6 Ų | 44.6 | 56% | 0.561 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -23.9 | -176.4 | -64.2 | -11.2 | 0 | 0 | 0 | 112.7 | T160 I164 A165 | T160-D162 PolarHBondContact O-N 3.37Å; T160-D162 PolarHBondContact OG1-OD1 3.16Å; D162-I164 PolarHBondContact O-N 2.95Å; D162-I164 VanDerWaalsContact O-N 3.11Å; D162-A165 PolarHBondContact O-N 3.47Å |
| 163 | H | 88 | Confident | 87.6 | Confident | 40 Ų | 40 | 49 Ų | 49 | 19% | 0.185 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.4 | -22.5 | 172.7 | 68.5 | -97.8 | 0 | 0 | 0 | 112.8 | N161 A165 V166 I167 W223 | N161-H163 PolarHBondContact O-N 3.08Å; N161-H163 VanDerWaalsContact O-N 3.11Å; N161-H163 PolarHBondContact OD1-CE1 3.32Å; N161-H163 VanDerWaalsContact OD1-CE1 3.22Å; H163-A165 PolarHBondContact O-N 3.48Å; H163-V166 PolarHBondContact O-N 2.85Å; H163-I167 HydrophobicContact CB-CD1 4.48Å; H163-I167 WeakPolarHBondContact O-CB 3.41Å; H163-I167 VanDerWaalsContact O-CG1 3.25Å; H163-I167 WeakPolarHBondContact O-CG1 3.17Å; H163-I167 PolarHBondContact O-N 3.2Å; H163-W223 AromaticContact CD2-NE1 3.5Å; H163-W223 PolarHBondContact CD2-NE1 2.9Å; H163-W223 AromaticContact NE2-NE1 3.25Å; H163-W223 PolarHBondContact NE2-NE1 2.92Å |
| 164 | I | 92 | Very high | 87.6 | Confident | 4 Ų | 4 | 50.9 Ų | 50.9 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -54.7 | -53.1 | 174.7 | -64 | 164.5 | 0 | 0 | 0 | 111 | V125 Q126 N129 N161 D162 V166 Q168 W223 L225 | V125-I164 HydrophobicContact CG1-CD1 3.93Å; V125-I164 HydrophobicContact CG1-CG1 4.02Å; V125-I164 HydrophobicContact CG1-CG2 4.08Å; Q126-I164 HydrophobicContact CB-CG2 4.31Å; N129-I164 HydrophobicContact CB-CD1 3.61Å; N161-I164 HydrophobicContact CB-CD1 3.5Å; N161-I164 HydrophobicContact CB-CG1 3.93Å; N161-I164 VanDerWaalsContact O-CB 3.31Å; N161-I164 WeakPolarHBondContact O-CB 3.46Å; N161-I164 WeakPolarHBondContact O-CD1 3.46Å; N161-I164 WeakPolarHBondContact O-CG1 3.43Å; N161-I164 PolarHBondContact O-N 3.45Å; D162-I164 PolarHBondContact O-N 2.95Å; D162-I164 VanDerWaalsContact O-N 3.11Å; I164-V166 VanDerWaalsContact C-N 3.33Å; I164-V166 PolarHBondContact O-N 2.78Å; I164-Q168 VanDerWaalsContact O-CB 3.3Å; I164-Q168 WeakPolarHBondContact O-CB 3.48Å; I164-Q168 PolarHBondContact O-N 2.85Å; I164-W223 HydrophobicContact CB-CH2 4.47Å; I164-W223 HydrophobicContact CB-CZ2 4.16Å; I164-W223 HydrophobicContact CG1-CZ2 4.08Å; I164-W223 HydrophobicContact CG2-CH2 4.02Å; I164-W223 HydrophobicContact CG2-CZ2 4.2Å; I164-L225 HydrophobicContact CD1-CD2 3.71Å; I164-L225 HydrophobicContact CG1-CD2 3.91Å |
| 165 | A | 90.5 | Very high | 87.9 | Confident | 34 Ų | 34 | 59.4 Ų | 59.4 | 28% | 0.281 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.7 | -37.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D162 H163 R169 | D162-A165 PolarHBondContact O-N 3.47Å; H163-A165 PolarHBondContact O-N 3.48Å; A165-R169 WeakPolarHBondContact O-CB 3.28Å; A165-R169 VanDerWaalsContact O-CG 3.29Å; A165-R169 WeakPolarHBondContact O-CG 3.3Å; A165-R169 PolarHBondContact O-N 2.95Å; A165-R169 VanDerWaalsContact O-N 3.11Å |
| 166 | V | 89.2 | Confident | 88.3 | Confident | 55 Ų | 55 | 61.2 Ų | 61.2 | 33% | 0.333 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.6 | -52.7 | 178.6 | 179.1 | 0 | 0 | 0 | 0 | 110.6 | H163 I164 Q168 R169 M170 V187 | H163-V166 PolarHBondContact O-N 2.85Å; I164-V166 VanDerWaalsContact C-N 3.33Å; I164-V166 PolarHBondContact O-N 2.78Å; V166-Q168 PolarHBondContact O-N 3.33Å; V166-R169 PolarHBondContact O-N 3.22Å; V166-M170 HydrophobicContact CG1-SD 3.99Å; V166-M170 WeakPolarHBondContact O-CG 3.26Å; V166-M170 PolarHBondContact O-N 3.49Å; V166-V187 HydrophobicContact CG1-CG2 4.22Å |
| 167 | I | 92.7 | Very high | 88.6 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.7 | -45.9 | -178.9 | -68.5 | 174 | 0 | 0 | 0 | 110.4 | L117 H163 R169 M170 Y171 L180 L194 A197 L198 W223 | L117-I167 HydrophobicContact CD2-CG2 3.7Å; H163-I167 HydrophobicContact CB-CD1 4.48Å; H163-I167 WeakPolarHBondContact O-CB 3.41Å; H163-I167 VanDerWaalsContact O-CG1 3.25Å; H163-I167 WeakPolarHBondContact O-CG1 3.17Å; H163-I167 PolarHBondContact O-N 3.2Å; I167-R169 PolarHBondContact O-N 3.1Å; I167-M170 PolarHBondContact O-N 3.05Å; I167-Y171 VanDerWaalsContact O-CB 3.24Å; I167-Y171 WeakPolarHBondContact O-CB 3.36Å; I167-Y171 PolarHBondContact O-N 3.46Å; I167-L180 HydrophobicContact CG2-CD2 4.06Å; I167-L194 HydrophobicContact CD1-CD2 3.92Å; I167-L194 HydrophobicContact CG1-CD2 4.24Å; I167-A197 HydrophobicContact CD1-CB 4.43Å; I167-L198 HydrophobicContact CD1-CD1 4.25Å; I167-L198 HydrophobicContact CD1-CD2 4.27Å; I167-L198 HydrophobicContact CD1-CG 4.16Å; I167-L198 HydrophobicContact CG2-CD1 4.33Å; I167-W223 HydrophobicContact CB-CH2 4.2Å; I167-W223 HydrophobicContact CB-CZ2 3.91Å; I167-W223 HydrophobicContact CD1-CZ2 3.97Å; I167-W223 HydrophobicContact CG2-CH2 4Å; I167-W223 HydrophobicContact CG2-CZ2 3.93Å |
| 168 | Q | 92.3 | Very high | 88.7 | Confident | 23 Ų | 23 | 60.2 Ų | 60.2 | 11% | 0.107 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.7 | -40 | -177.7 | -171.9 | 174 | -3.9 | 0 | 0 | 112.7 | G122 I164 V166 N172 | G122-Q168 PolarHBondContact O-OE1 3.15Å; I164-Q168 VanDerWaalsContact O-CB 3.3Å; I164-Q168 WeakPolarHBondContact O-CB 3.48Å; I164-Q168 PolarHBondContact O-N 2.85Å; V166-Q168 PolarHBondContact O-N 3.33Å; Q168-N172 WeakPolarHBondContact CG-ND2 3.36Å; Q168-N172 WeakPolarHBondContact O-CB 3.22Å; Q168-N172 VanDerWaalsContact O-CG 3.23Å; Q168-N172 PolarHBondContact O-N 3.27Å; Q168-N172 PolarHBondContact O-ND2 3.11Å; Q168-N172 VanDerWaalsContact O-ND2 3.12Å |
| 169 | R | 91.7 | Very high | 88.8 | Confident | 147 Ų | 147 | 66.2 Ų | 66.2 | 56% | 0.555 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -68.1 | -46.2 | 176.6 | -74.5 | 179.3 | -171.8 | 167.3 | 3.8 | 112.1 | A165 V166 I167 Y171 N172 E173 F177 | A165-R169 WeakPolarHBondContact O-CB 3.28Å; A165-R169 VanDerWaalsContact O-CG 3.29Å; A165-R169 WeakPolarHBondContact O-CG 3.3Å; A165-R169 PolarHBondContact O-N 2.95Å; A165-R169 VanDerWaalsContact O-N 3.11Å; V166-R169 PolarHBondContact O-N 3.22Å; I167-R169 PolarHBondContact O-N 3.1Å; R169-Y171 VanDerWaalsContact C-N 3.3Å; R169-Y171 PolarHBondContact O-N 2.54Å; R169-N172 PolarHBondContact O-N 2.85Å; R169-E173 PolarHBondContact O-N 2.86Å; R169-F177 HydrophobicContact CB-CD2 3.96Å; R169-F177 HydrophobicContact CB-CE2 4.01Å; R169-F177 HydrophobicContact CB-CG 4.46Å; R169-F177 HydrophobicContact CG-CE2 4.43Å |
| 170 | M | 91.1 | Very high | 89.3 | Confident | 6 Ų | 6 | 64.7 Ų | 64.7 | 3% | 0.03 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.2 | -35.7 | 178.6 | -69.3 | -174.4 | 80.5 | 0 | 0 | 112.7 | V166 I167 F177 L180 V185 V187 | V166-M170 HydrophobicContact CG1-SD 3.99Å; V166-M170 WeakPolarHBondContact O-CG 3.26Å; V166-M170 PolarHBondContact O-N 3.49Å; I167-M170 PolarHBondContact O-N 3.05Å; M170-F177 WeakPolarHBondContact CE-O 3.38Å; M170-F177 HydrophobicContact CG-CB 3.87Å; M170-L180 HydrophobicContact CB-CB 4.46Å; M170-V185 HydrophobicContact CE-CG2 3.41Å; M170-V185 VanDerWaalsContact CE-CG2 3.41Å; M170-V185 HydrophobicContact SD-CG2 3.76Å; M170-V187 HydrophobicContact CE-CG2 4.41Å; M170-V187 HydrophobicContact SD-CG2 3.86Å |
| 171 | Y | 91.3 | Very high | 89.7 | Confident | 66 Ų | 66 | 64.8 Ų | 64.8 | 26% | 0.259 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -72.7 | -41.8 | 178.1 | -173.3 | -95.7 | 0 | 0 | 0 | 112.5 | N115 L117 I167 R169 L180 V218 | N115-Y171 PolarHBondContact ND2-OH 3.04Å; L117-Y171 HydrophobicContact CB-CD1 3.9Å; L117-Y171 HydrophobicContact CB-CD2 4.08Å; L117-Y171 HydrophobicContact CB-CE1 3.88Å; L117-Y171 HydrophobicContact CB-CE2 4.05Å; L117-Y171 HydrophobicContact CB-CG 4.01Å; L117-Y171 HydrophobicContact CD1-CD2 3.74Å; L117-Y171 HydrophobicContact CD1-CE2 3.88Å; L117-Y171 HydrophobicContact CD1-CG 4.34Å; L117-Y171 VanDerWaalsContact O-CD1 3.25Å; L117-Y171 WeakPolarHBondContact O-CD1 3.35Å; L117-Y171 WeakPolarHBondContact O-CE1 3.34Å; I167-Y171 VanDerWaalsContact O-CB 3.24Å; I167-Y171 WeakPolarHBondContact O-CB 3.36Å; I167-Y171 PolarHBondContact O-N 3.46Å; R169-Y171 VanDerWaalsContact C-N 3.3Å; R169-Y171 PolarHBondContact O-N 2.54Å; Y171-L180 HydrophobicContact CD2-CD2 4.18Å; Y171-V218 PolarHBondContact OH-O 3.47Å |
| 172 | N | 91.9 | Very high | 89.7 | Confident | 66 Ų | 66 | 64.9 Ų | 64.9 | 35% | 0.353 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -78.5 | -34.1 | -178.5 | -69.4 | -28 | 0 | 0 | 0 | 113.3 | Q168 R169 P174 | Q168-N172 WeakPolarHBondContact CG-ND2 3.36Å; Q168-N172 WeakPolarHBondContact O-CB 3.22Å; Q168-N172 VanDerWaalsContact O-CG 3.23Å; Q168-N172 PolarHBondContact O-N 3.27Å; Q168-N172 PolarHBondContact O-ND2 3.11Å; Q168-N172 VanDerWaalsContact O-ND2 3.12Å; R169-N172 PolarHBondContact O-N 2.85Å; N172-P174 VanDerWaalsContact C-CD 3.4Å; N172-P174 WeakPolarHBondContact O-CD 3.4Å |
| 173 | E | 91.6 | Very high | 90 | Very high | 92 Ų | 92 | 59.9 Ų | 59.9 | 43% | 0.43 | 29% | 0.294 | S | S | . | . | trans | -126.8 | 61.7 | -173.7 | -66.7 | 172.9 | -151 | 0 | 0 | 111.5 | R169 E175 I176 F177 | R169-E173 PolarHBondContact O-N 2.86Å; E173-E175 PolarHBondContact O-N 3.39Å; E173-I176 HydrophobicContact CB-CB 4.49Å; E173-I176 HydrophobicContact CB-CD1 4.47Å; E173-I176 PolarHBondContact O-N 3.42Å; E173-I176 VanDerWaalsContact O-N 3.13Å; E173-F177 HydrophobicContact CB-CD2 3.91Å; E173-F177 HydrophobicContact CB-CE2 4.21Å; E173-F177 PolarHBondContact O-N 3.07Å; E173-F177 VanDerWaalsContact O-N 3.11Å; E173-F177 WeakPolarHBondContact OE2-CE2 3.39Å | ||
| 174 | P | 87.7 | Confident | 90 | Very high | 57 Ų | 57 | 59.4 Ų | 59.4 | 37% | 0.37 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.7 | -20.2 | -174.5 | 27.7 | -36.2 | 0 | 0 | 0 | 113.8 | N172 I176 G178 R179 | N172-P174 VanDerWaalsContact C-CD 3.4Å; N172-P174 WeakPolarHBondContact O-CD 3.4Å; P174-I176 VanDerWaalsContact C-N 3.35Å; P174-G178 CarbonylContact O-C 3.58Å; P174-G178 VanDerWaalsContact O-CA 3.27Å; P174-G178 WeakPolarHBondContact O-CA 3.44Å; P174-G178 PolarHBondContact O-N 3.42Å; P174-R179 HydrophobicContact CB-CG 4.21Å |
| 175 | E | 88.1 | Confident | 89.9 | Confident | 196 Ų | 196 | 59.2 Ų | 59.2 | 92% | 0.916 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -70.9 | -30.8 | 175.8 | -63 | -175.1 | 173.2 | 0 | 0 | 112.5 | E173 | E173-E175 PolarHBondContact O-N 3.39Å |
| 176 | I | 87.1 | Confident | 89.6 | Confident | 121 Ų | 121 | 63.2 Ų | 63.2 | 62% | 0.621 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -95.7 | -49.6 | -174.3 | -61.7 | 173.7 | 0 | 0 | 0 | 110.5 | E173 P174 | E173-I176 HydrophobicContact CB-CB 4.49Å; E173-I176 HydrophobicContact CB-CD1 4.47Å; E173-I176 PolarHBondContact O-N 3.42Å; E173-I176 VanDerWaalsContact O-N 3.13Å; P174-I176 VanDerWaalsContact C-N 3.35Å |
| 177 | F | 85.6 | Confident | 89.1 | Confident | 93 Ų | 93 | 63.3 Ų | 63.3 | 41% | 0.408 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -97 | -4.1 | -172.9 | -63.1 | -72.6 | 0 | 0 | 0 | 113.8 | R169 M170 E173 | R169-F177 HydrophobicContact CB-CD2 3.96Å; R169-F177 HydrophobicContact CB-CE2 4.01Å; R169-F177 HydrophobicContact CB-CG 4.46Å; R169-F177 HydrophobicContact CG-CE2 4.43Å; M170-F177 WeakPolarHBondContact CE-O 3.38Å; M170-F177 HydrophobicContact CG-CB 3.87Å; E173-F177 HydrophobicContact CB-CD2 3.91Å; E173-F177 HydrophobicContact CB-CE2 4.21Å; E173-F177 PolarHBondContact O-N 3.07Å; E173-F177 VanDerWaalsContact O-N 3.11Å; E173-F177 WeakPolarHBondContact OE2-CE2 3.39Å |
| 178 | G | 86.8 | Confident | 88.3 | Confident | 32 Ų | 32 | 67.6 Ų | 67.6 | 33% | 0.33 | 34% | 0.337 | S | S | . | . | trans | 87.5 | 163 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | P174 | P174-G178 CarbonylContact O-C 3.58Å; P174-G178 VanDerWaalsContact O-CA 3.27Å; P174-G178 WeakPolarHBondContact O-CA 3.44Å; P174-G178 PolarHBondContact O-N 3.42Å | ||
| 179 | R | 89.2 | Confident | 87.1 | Confident | 168 Ų | 168 | 73.2 Ų | 73.2 | 63% | 0.634 | 36% | 0.363 | S | S | * | . | trans | -78.7 | 134.5 | -175.4 | -63 | -177.8 | -179.2 | 173.4 | -0.6 | 111.2 | P174 T181 I216 | P174-R179 HydrophobicContact CB-CG 4.21Å; R179-T181 PolarHBondContact O-N 2.89Å; R179-I216 HydrophobicContact CB-CG1 4.34Å; R179-I216 HydrophobicContact CB-CG2 4.4Å | ||
| 180 | L | 91.2 | Very high | 86.2 | Confident | 5 Ų | 5 | 69.2 Ų | 69.2 | 3% | 0.026 | 35% | 0.349 | C | S | . | . | trans | -68.5 | 121.3 | 173.8 | -173.9 | 65.6 | 0 | 0 | 0 | 110.6 | L117 I167 M170 Y171 V185 L194 L198 I216 V217 | L117-L180 HydrophobicContact CD1-CD2 4.1Å; I167-L180 HydrophobicContact CG2-CD2 4.06Å; M170-L180 HydrophobicContact CB-CB 4.46Å; Y171-L180 HydrophobicContact CD2-CD2 4.18Å; L180-V185 HydrophobicContact CD1-CB 4.27Å; L180-V185 HydrophobicContact CD1-CG2 3.99Å; L180-L194 HydrophobicContact CD1-CD1 3.64Å; L180-L194 HydrophobicContact CG-CD1 4.48Å; L180-L198 HydrophobicContact CD2-CD1 4.45Å; L180-I216 WeakPolarHBondContact O-CA 3.08Å; L180-V217 HydrophobicContact CB-CB 4.41Å; L180-V217 HydrophobicContact CD2-CB 3.99Å; L180-V217 HydrophobicContact CD2-CG1 4.15Å; L180-V217 HydrophobicContact CD2-CG2 4.17Å; L180-V217 HydrophobicContact CG-CB 4.07Å; L180-V217 HydrophobicContact CG-CG2 3.92Å; L180-V217 PolarHBondContact O-N 2.94Å | ||
| 181 | T | 90.6 | Very high | 85.6 | Confident | 42 Ų | 42 | 72 Ų | 72 | 26% | 0.258 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 159.3 | 177.8 | 55.6 | 0 | 0 | 0 | 0 | 111.6 | R179 K184 V185 G215 I216 | R179-T181 PolarHBondContact O-N 2.89Å; T181-K184 CarbonylContact C-O 3.57Å; T181-K184 WeakPolarHBondContact CB-O 3.37Å; T181-K184 CarbonylContact O-C 3.54Å; T181-K184 VanDerWaalsContact O-O 3.06Å; T181-K184 PolarHBondContact OG1-O 3.02Å; T181-V185 WeakPolarHBondContact OG1-CA 3.48Å; T181-G215 VanDerWaalsContact CA-O 3.29Å; T181-G215 WeakPolarHBondContact CA-O 3.19Å; T181-I216 HydrophobicContact CG2-CG1 4.47Å |
| 182 | F | 91.1 | Very high | 85.3 | Confident | 9 Ų | 9 | 72.5 Ų | 72.5 | 4% | 0.039 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 145.4 | -178.4 | -176.9 | -93.1 | 0 | 0 | 0 | 110.4 | K184 L194 V201 V203 R213 S214 G215 V217 Y578 | F182-K184 VanDerWaalsContact C-N 3.35Å; F182-L194 HydrophobicContact CD2-CB 4Å; F182-L194 HydrophobicContact CE2-CB 4.32Å; F182-V201 HydrophobicContact CB-CG1 4.02Å; F182-V201 HydrophobicContact CD1-CB 4.12Å; F182-V201 HydrophobicContact CD1-CG1 4.11Å; F182-V201 HydrophobicContact CD2-CB 4.28Å; F182-V201 HydrophobicContact CD2-CG1 4.19Å; F182-V201 HydrophobicContact CD2-CG2 3.87Å; F182-V201 HydrophobicContact CE1-CB 4.17Å; F182-V201 HydrophobicContact CE1-CG2 4.37Å; F182-V201 HydrophobicContact CE2-CB 4.36Å; F182-V201 HydrophobicContact CE2-CG2 3.74Å; F182-V201 HydrophobicContact CG-CB 4.17Å; F182-V201 HydrophobicContact CG-CG1 3.85Å; F182-V201 HydrophobicContact CG-CG2 4.28Å; F182-V201 HydrophobicContact CZ-CB 4.31Å; F182-V201 HydrophobicContact CZ-CG2 4.01Å; F182-V203 HydrophobicContact CB-CG1 4.02Å; F182-R213 VanDerWaalsContact O-O 3.09Å; F182-S214 VanDerWaalsContact O-CA 3.32Å; F182-S214 WeakPolarHBondContact O-CA 3.45Å; F182-G215 PolarHBondContact N-O 3.09Å; F182-G215 VanDerWaalsContact N-O 3.17Å; F182-G215 PolarHBondContact O-N 3.46Å; F182-V217 HydrophobicContact CB-CG2 3.69Å; F182-Y578 HydrophobicContact CD1-CD1 4.44Å; F182-Y578 HydrophobicContact CD1-CE1 4.38Å; F182-Y578 AromaticContact CE1-CD1 3.56Å; F182-Y578 HydrophobicContact CE1-CD1 3.56Å; F182-Y578 AromaticContact CE1-CE1 3.89Å; F182-Y578 HydrophobicContact CE1-CE1 3.89Å; F182-Y578 HydrophobicContact CZ-CD1 4.34Å |
| 183 | P | 90.5 | Very high | 85.2 | Confident | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.006 | 35% | 0.354 | C | S | . | . | S | Bend | cis | -78.9 | -11.1 | 5.4 | 34.2 | -37.1 | 0 | 0 | 0 | 114.2 | Y193 L194 Y578 I615 | P183-Y193 HydrophobicContact CB-CD2 4.43Å; P183-Y193 HydrophobicContact CB-CE2 3.87Å; P183-Y193 HydrophobicContact CG-CE2 4.4Å; P183-L194 PolarHBondContact O-N 3.49Å; P183-Y578 HydrophobicContact CB-CE1 4.49Å; P183-Y578 HydrophobicContact CG-CE1 4.48Å; P183-I615 HydrophobicContact CG-CG2 4.44Å |
| 184 | K | 89 | Confident | 85.2 | Confident | 29 Ų | 29 | 65.8 Ų | 65.8 | 13% | 0.126 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 146 | 175 | -68.7 | -178.5 | 171.7 | -172 | 0 | 111.5 | T181 F182 E191 L192 Y193 A618 L620 | T181-K184 CarbonylContact C-O 3.57Å; T181-K184 WeakPolarHBondContact CB-O 3.37Å; T181-K184 CarbonylContact O-C 3.54Å; T181-K184 VanDerWaalsContact O-O 3.06Å; T181-K184 PolarHBondContact OG1-O 3.02Å; F182-K184 VanDerWaalsContact C-N 3.35Å; K184-E191 HydrophobicContact CD-CB 4.25Å; K184-E191 WeakPolarHBondContact CD-OE2 3.38Å; K184-E191 IonicContact NZ-OE2 3.34Å; K184-E191 PolarHBondContact NZ-OE2 3.38Å; K184-L192 CarbonylContact C-O 3.48Å; K184-L192 VanDerWaalsContact CA-O 3.26Å; K184-L192 WeakPolarHBondContact CA-O 3.46Å; K184-Y193 HydrophobicContact CG-CD2 4.04Å; K184-A618 WeakPolarHBondContact CD-O 3.49Å; K184-A618 WeakPolarHBondContact CE-O 3.44Å; K184-A618 WeakPolarHBondContact CG-O 3.43Å; K184-L620 WeakPolarHBondContact CE-O 3.33Å; K184-L620 PolarHBondContact NZ-O 2.78Å |
| 185 | V | 88.7 | Confident | 85.3 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 132.7 | 171 | 62.7 | 0 | 0 | 0 | 0 | 110.6 | M170 L180 T181 V187 E191 L192 L194 | M170-V185 HydrophobicContact CE-CG2 3.41Å; M170-V185 VanDerWaalsContact CE-CG2 3.41Å; M170-V185 HydrophobicContact SD-CG2 3.76Å; L180-V185 HydrophobicContact CD1-CB 4.27Å; L180-V185 HydrophobicContact CD1-CG2 3.99Å; T181-V185 WeakPolarHBondContact OG1-CA 3.48Å; V185-V187 HydrophobicContact CG1-CG2 4.26Å; V185-V187 HydrophobicContact CG2-CG2 4.37Å; V185-E191 CarbonylContact O-C 3.53Å; V185-E191 WeakPolarHBondContact O-CA 3.07Å; V185-L192 HydrophobicContact CG1-CB 3.85Å; V185-L192 HydrophobicContact CG1-CD2 4.49Å; V185-L192 PolarHBondContact N-O 2.91Å; V185-L192 PolarHBondContact O-N 3.44Å; V185-L194 HydrophobicContact CB-CD1 3.95Å; V185-L194 HydrophobicContact CB-CG 4.47Å; V185-L194 HydrophobicContact CG1-CD1 3.73Å; V185-L194 HydrophobicContact CG1-CD2 4.14Å; V185-L194 HydrophobicContact CG1-CG 3.89Å |
| 186 | K | 83.9 | Confident | 85.4 | Confident | 118 Ų | 118 | 56.8 Ų | 56.8 | 51% | 0.513 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 116.5 | 171.7 | -76.8 | -172.9 | 177.1 | -161.1 | 0 | 109.8 | Y190 E191 | K186-Y190 CarbonylContact C-O 3.56Å; K186-Y190 VanDerWaalsContact CA-O 3.32Å; K186-Y190 WeakPolarHBondContact CA-O 3.16Å; K186-E191 WeakPolarHBondContact CE-OE1 3.29Å; K186-E191 HydrophobicContact CG-CG 3.79Å; K186-E191 IonicContact NZ-OE1 3.72Å |
| 187 | V | 80.2 | Confident | 85.7 | Confident | 57 Ų | 57 | 51.5 Ų | 51.5 | 35% | 0.345 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 108.9 | 173.3 | -175.5 | 0 | 0 | 0 | 0 | 107.8 | V166 M170 V185 H189 Y190 | V166-V187 HydrophobicContact CG1-CG2 4.22Å; M170-V187 HydrophobicContact CE-CG2 4.41Å; M170-V187 HydrophobicContact SD-CG2 3.86Å; V185-V187 HydrophobicContact CG1-CG2 4.26Å; V185-V187 HydrophobicContact CG2-CG2 4.37Å; V187-H189 PolarHBondContact O-N 2.86Å; V187-H189 VanDerWaalsContact O-N 3.11Å; V187-Y190 PolarHBondContact N-O 3.37Å; V187-Y190 PolarHBondContact O-N 3.28Å; V187-Y190 VanDerWaalsContact O-N 3.08Å |
| 188 | A | 74.4 | Confident | 86.1 | Confident | 91 Ų | 91 | 47.1 Ų | 47.1 | 75% | 0.752 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | -112.4 | -170.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 189 | H | 67.8 | Low | 86.4 | Confident | 141 Ų | 141 | 45.7 Ų | 45.7 | 65% | 0.653 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99 | 13.3 | -178.6 | -61.1 | -62.9 | 0 | 0 | 0 | 113.8 | V187 | V187-H189 PolarHBondContact O-N 2.86Å; V187-H189 VanDerWaalsContact O-N 3.11Å |
| 190 | Y | 71.5 | Confident | 86.6 | Confident | 63 Ų | 63 | 38.4 Ų | 38.4 | 25% | 0.247 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 152.8 | -168.8 | -50.1 | -69.9 | 0 | 0 | 0 | 112.9 | K186 V187 F658 P659 T660 | K186-Y190 CarbonylContact C-O 3.56Å; K186-Y190 VanDerWaalsContact CA-O 3.32Å; K186-Y190 WeakPolarHBondContact CA-O 3.16Å; V187-Y190 PolarHBondContact N-O 3.37Å; V187-Y190 PolarHBondContact O-N 3.28Å; V187-Y190 VanDerWaalsContact O-N 3.08Å; Y190-F658 VanDerWaalsContact CZ-O 3.24Å; Y190-F658 PolarHBondContact OH-O 2.86Å; Y190-P659 HydrophobicContact CD1-CG 3.76Å; Y190-P659 HydrophobicContact CD2-CG 3.7Å; Y190-P659 HydrophobicContact CE1-CG 4.33Å; Y190-P659 HydrophobicContact CE2-CG 4.26Å; Y190-P659 HydrophobicContact CG-CG 3.37Å; Y190-T660 HydrophobicContact CD1-CG2 4.08Å; Y190-T660 HydrophobicContact CE1-CG2 4.1Å |
| 191 | E | 80.3 | Confident | 86.7 | Confident | 65 Ų | 65 | 39.6 Ų | 39.6 | 30% | 0.304 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 129.1 | 176.9 | -67.4 | -169.5 | 153.4 | 0 | 0 | 111.5 | K184 V185 K186 | K184-E191 HydrophobicContact CD-CB 4.25Å; K184-E191 WeakPolarHBondContact CD-OE2 3.38Å; K184-E191 IonicContact NZ-OE2 3.34Å; K184-E191 PolarHBondContact NZ-OE2 3.38Å; V185-E191 CarbonylContact O-C 3.53Å; V185-E191 WeakPolarHBondContact O-CA 3.07Å; K186-E191 WeakPolarHBondContact CE-OE1 3.29Å; K186-E191 HydrophobicContact CG-CG 3.79Å; K186-E191 IonicContact NZ-OE1 3.72Å |
| 192 | L | 84.8 | Confident | 86.7 | Confident | 75 Ų | 75 | 40 Ų | 40 | 39% | 0.393 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 132.1 | 172.5 | -179 | 69 | 0 | 0 | 0 | 110 | K184 V185 L194 | K184-L192 CarbonylContact C-O 3.48Å; K184-L192 VanDerWaalsContact CA-O 3.26Å; K184-L192 WeakPolarHBondContact CA-O 3.46Å; V185-L192 HydrophobicContact CG1-CB 3.85Å; V185-L192 HydrophobicContact CG1-CD2 4.49Å; V185-L192 PolarHBondContact N-O 2.91Å; V185-L192 PolarHBondContact O-N 3.44Å; L192-L194 HydrophobicContact CD2-CD2 3.93Å; L192-L194 HydrophobicContact CG-CD2 4.23Å |
| 193 | Y | 88.9 | Confident | 86.6 | Confident | 16 Ų | 16 | 41.3 Ų | 41.3 | 6% | 0.063 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 121.8 | 175.4 | -169.4 | -97.8 | 0 | 0 | 0 | 111.5 | P183 K184 G195 G579 P581 Q621 G687 | P183-Y193 HydrophobicContact CB-CD2 4.43Å; P183-Y193 HydrophobicContact CB-CE2 3.87Å; P183-Y193 HydrophobicContact CG-CE2 4.4Å; K184-Y193 HydrophobicContact CG-CD2 4.04Å; Y193-G195 VanDerWaalsContact CE1-CA 3.46Å; Y193-G579 WeakPolarHBondContact CE1-O 3.37Å; Y193-G579 WeakPolarHBondContact OH-CA 3.18Å; Y193-G579 PolarHBondContact OH-O 2.88Å; Y193-P581 HydrophobicContact CE1-CB 4.24Å; Y193-P581 HydrophobicContact CE1-CG 4.32Å; Y193-Q621 HydrophobicContact CD2-CG 3.96Å; Y193-Q621 HydrophobicContact CG-CG 4.01Å; Y193-G687 WeakPolarHBondContact OH-CA 3.17Å |
| 194 | L | 91.5 | Very high | 86.4 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | trans | -101.9 | -3.9 | -176.2 | -63.2 | -176.4 | 0 | 0 | 0 | 113.8 | I167 L180 F182 P183 V185 L192 Q196 A197 L198 | I167-L194 HydrophobicContact CD1-CD2 3.92Å; I167-L194 HydrophobicContact CG1-CD2 4.24Å; L180-L194 HydrophobicContact CD1-CD1 3.64Å; L180-L194 HydrophobicContact CG-CD1 4.48Å; F182-L194 HydrophobicContact CD2-CB 4Å; F182-L194 HydrophobicContact CE2-CB 4.32Å; P183-L194 PolarHBondContact O-N 3.49Å; V185-L194 HydrophobicContact CB-CD1 3.95Å; V185-L194 HydrophobicContact CB-CG 4.47Å; V185-L194 HydrophobicContact CG1-CD1 3.73Å; V185-L194 HydrophobicContact CG1-CD2 4.14Å; V185-L194 HydrophobicContact CG1-CG 3.89Å; L192-L194 HydrophobicContact CD2-CD2 3.93Å; L192-L194 HydrophobicContact CG-CD2 4.23Å; L194-Q196 PolarHBondContact O-N 3.02Å; L194-Q196 VanDerWaalsContact O-N 3.09Å; L194-A197 PolarHBondContact O-N 3.49Å; L194-L198 HydrophobicContact CD1-CD1 4.31Å; L194-L198 PolarHBondContact O-N 3.48Å | ||
| 195 | G | 90 | Very high | 85.4 | Confident | 2 Ų | 2 | 48 Ų | 48 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -16.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y193 G579 | Y193-G195 VanDerWaalsContact CE1-CA 3.46Å; G195-G579 CarbonylContact C-O 3.35Å |
| 196 | Q | 90.2 | Very high | 84.1 | Confident | 62 Ų | 62 | 53.3 Ų | 53.3 | 29% | 0.29 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -16.3 | 171.8 | -71.9 | 173.1 | -36.9 | 0 | 0 | 113.5 | G95 L194 M224 P581 | G95-Q196 PolarHBondContact O-NE2 2.92Å; L194-Q196 PolarHBondContact O-N 3.02Å; L194-Q196 VanDerWaalsContact O-N 3.09Å; Q196-M224 WeakPolarHBondContact O-CB 3.41Å; Q196-P581 VanDerWaalsContact CD-CG 3.46Å; Q196-P581 HydrophobicContact CG-CG 3.53Å |
| 197 | A | 93.3 | Very high | 82.3 | Confident | 11 Ų | 11 | 51.5 Ų | 51.5 | 9% | 0.091 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -39.4 | -176 | 0 | 0 | 0 | 0 | 0 | 112 | I167 L194 W223 M224 | I167-A197 HydrophobicContact CD1-CB 4.43Å; L194-A197 PolarHBondContact O-N 3.49Å; A197-W223 CarbonylContact O-C 3.48Å; A197-W223 WeakPolarHBondContact O-CA 3.24Å; A197-W223 VanDerWaalsContact O-CD1 3.27Å; A197-M224 PolarHBondContact O-N 3.19Å |
| 198 | L | 94.8 | Very high | 80.4 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 132.6 | -178.5 | -61 | -179.8 | 0 | 0 | 0 | 110.8 | L117 I167 L180 L194 V201 A220 W223 | L117-L198 HydrophobicContact CD1-CD1 4.48Å; L117-L198 HydrophobicContact CD2-CD1 4.41Å; L117-L198 HydrophobicContact CD2-CD2 3.88Å; I167-L198 HydrophobicContact CD1-CD1 4.25Å; I167-L198 HydrophobicContact CD1-CD2 4.27Å; I167-L198 HydrophobicContact CD1-CG 4.16Å; I167-L198 HydrophobicContact CG2-CD1 4.33Å; L180-L198 HydrophobicContact CD2-CD1 4.45Å; L194-L198 HydrophobicContact CD1-CD1 4.31Å; L194-L198 PolarHBondContact O-N 3.48Å; L198-V201 HydrophobicContact CB-CG2 3.71Å; L198-A220 HydrophobicContact CB-CB 4.32Å; L198-A220 HydrophobicContact CD2-CB 4.33Å; L198-W223 HydrophobicContact CD2-CD2 4.25Å; L198-W223 HydrophobicContact CD2-CG 4.1Å |
| 199 | G | 93.2 | Very high | 78.8 | Confident | 2 Ų | 2 | 60.8 Ų | 60.8 | 2% | 0.021 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 154.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V201 K221 A222 N574 | G199-V201 VanDerWaalsContact C-N 3.28Å; G199-V201 PolarHBondContact O-N 3.43Å; G199-K221 PolarHBondContact O-N 2.87Å; G199-A222 PolarHBondContact N-O 3.39Å; G199-A222 PolarHBondContact O-N 3.11Å; G199-A222 VanDerWaalsContact O-N 3.09Å; G199-N574 CarbonylContact C-O 3.57Å; G199-N574 VanDerWaalsContact CA-O 3.27Å; G199-N574 WeakPolarHBondContact CA-O 3.47Å |
| 200 | G | 92.1 | Very high | 77.1 | Confident | 15 Ų | 15 | 62.5 Ų | 62.5 | 16% | 0.155 | 35% | 0.347 | C | S | . | . | S | Bend | trans | 62.2 | 37.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | K221 N574 | G200-K221 PolarHBondContact O-N 3.12Å; G200-N574 PolarHBondContact N-O 3.44Å |
| 201 | V | 93.1 | Very high | 75.9 | Confident | 29 Ų | 29 | 65.7 Ų | 65.7 | 18% | 0.176 | 37% | 0.373 | C | S | . | . | trans | -76.2 | 127.9 | -173 | -175.4 | 0 | 0 | 0 | 0 | 110.7 | F182 L198 G199 V203 V217 E219 A220 | F182-V201 HydrophobicContact CB-CG1 4.02Å; F182-V201 HydrophobicContact CD1-CB 4.12Å; F182-V201 HydrophobicContact CD1-CG1 4.11Å; F182-V201 HydrophobicContact CD2-CB 4.28Å; F182-V201 HydrophobicContact CD2-CG1 4.19Å; F182-V201 HydrophobicContact CD2-CG2 3.87Å; F182-V201 HydrophobicContact CE1-CB 4.17Å; F182-V201 HydrophobicContact CE1-CG2 4.37Å; F182-V201 HydrophobicContact CE2-CB 4.36Å; F182-V201 HydrophobicContact CE2-CG2 3.74Å; F182-V201 HydrophobicContact CG-CB 4.17Å; F182-V201 HydrophobicContact CG-CG1 3.85Å; F182-V201 HydrophobicContact CG-CG2 4.28Å; F182-V201 HydrophobicContact CZ-CB 4.31Å; F182-V201 HydrophobicContact CZ-CG2 4.01Å; L198-V201 HydrophobicContact CB-CG2 3.71Å; G199-V201 VanDerWaalsContact C-N 3.28Å; G199-V201 PolarHBondContact O-N 3.43Å; V201-V203 HydrophobicContact CG1-CG1 4Å; V201-V217 HydrophobicContact CG1-CB 4.41Å; V201-V217 HydrophobicContact CG1-CG1 3.94Å; V201-V217 HydrophobicContact CG1-CG2 3.88Å; V201-E219 CarbonylContact C-O 3.52Å; V201-E219 WeakPolarHBondContact CA-O 3.47Å; V201-A220 HydrophobicContact CG2-CB 4.07Å | ||
| 202 | T | 90.7 | Very high | 74.3 | Confident | 50 Ų | 50 | 65 Ų | 65 | 31% | 0.307 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 131 | 167.3 | 66.7 | 0 | 0 | 0 | 0 | 109.9 | V218 E219 | T202-V218 PolarHBondContact O-N 3.5Å; T202-E219 WeakPolarHBondContact CB-OE1 3.29Å; T202-E219 HydrophobicContact CG2-CG 4.09Å; T202-E219 WeakPolarHBondContact CG2-OE1 3.07Å; T202-E219 PolarHBondContact N-O 3.02Å; T202-E219 PolarHBondContact O-N 3.24Å; T202-E219 VanDerWaalsContact OG1-CD 3.25Å; T202-E219 WeakPolarHBondContact OG1-CG 3.44Å; T202-E219 PolarHBondContact OG1-OE1 3.27Å |
| 203 | V | 88.6 | Confident | 72.9 | Confident | 38 Ų | 38 | 69.3 Ų | 69.3 | 23% | 0.23 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 140.1 | -177.7 | -63.1 | 0 | 0 | 0 | 0 | 110.4 | F182 V201 S205 R213 I216 | F182-V203 HydrophobicContact CB-CG1 4.02Å; V201-V203 HydrophobicContact CG1-CG1 4Å; V203-S205 PolarHBondContact O-N 2.97Å; V203-R213 HydrophobicContact CG2-CB 4.29Å; V203-I216 CarbonylContact C-O 3.57Å; V203-I216 VanDerWaalsContact CA-O 3.24Å; V203-I216 WeakPolarHBondContact CA-O 3.26Å |
| 204 | N | 86.6 | Confident | 71.9 | Confident | 109 Ų | 109 | 72.1 Ų | 72.1 | 58% | 0.583 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 110.3 | 169.4 | -160.6 | 0.8 | 0 | 0 | 0 | 108.2 | I216 V218 | N204-I216 PolarHBondContact N-O 3.11Å; N204-I216 PolarHBondContact O-N 2.95Å; N204-V218 HydrophobicContact CB-CG2 3.66Å |
| 205 | S | 69.5 | Low | 71.5 | Confident | 62 Ų | 62 | 72.4 Ų | 72.4 | 43% | 0.434 | 41% | 0.411 | S | S | . | . | trans | -84.4 | 119 | 175.8 | -176.8 | 0 | 0 | 0 | 0 | 109.8 | V203 G207 | V203-S205 PolarHBondContact O-N 2.97Å; S205-G207 VanDerWaalsContact C-N 3.3Å; S205-G207 PolarHBondContact O-N 3.34Å | ||
| 206 | S | 60 | Low | 71.4 | Confident | 112 Ų | 112 | 75.2 Ų | 75.2 | 78% | 0.783 | 43% | 0.425 | S | S | * | . | trans | -74.1 | 85.3 | 167.3 | 56.3 | 0 | 0 | 0 | 0 | 109.6 | T208 | S206-T208 PolarHBondContact O-N 3.24Š| ||
| 207 | G | 46.3 | Very low | 71.5 | Confident | 79 Ų | 79 | 72.7 Ų | 72.7 | 81% | 0.814 | 41% | 0.414 | S | S | * | . | S | Bend | trans | 71.4 | -1.2 | 149.9 | 0 | 0 | 0 | 0 | 0 | 120.1 | S205 | S205-G207 VanDerWaalsContact C-N 3.3Å; S205-G207 PolarHBondContact O-N 3.34Å |
| 208 | T | 41 | Very low | 71.3 | Confident | 103 Ų | 103 | 75.6 Ų | 75.6 | 63% | 0.632 | 43% | 0.43 | S | S | * | . | trans | -100.7 | 106.8 | 174.7 | 48.8 | 0 | 0 | 0 | 0 | 111.1 | S206 E210 | S206-T208 PolarHBondContact O-N 3.24Å; T208-E210 PolarHBondContact O-N 3.02Å | ||
| 209 | R | 39.8 | Very low | 71.2 | Confident | 241 Ų | 241 | 78.7 Ų | 78.7 | 91% | 0.909 | 45% | 0.445 | S | S | * | . | trans | -62.8 | 127.7 | 157.5 | -77.5 | 176.1 | 156.6 | -172.6 | -7.1 | 106.3 | ||||
| 210 | E | 33.2 | Very low | 71.3 | Confident | 176 Ų | 176 | 78.6 Ų | 78.6 | 82% | 0.822 | 44% | 0.444 | S | S | * | . | S | Bend | trans | 103.5 | 113.2 | 170.6 | -61.8 | 173.5 | 174.5 | 0 | 0 | 117.8 | T208 | T208-E210 PolarHBondContact O-N 3.02Š|
| 211 | V | 45.2 | Very low | 71.4 | Confident | 130 Ų | 130 | 82.5 Ų | 82.5 | 79% | 0.788 | 46% | 0.457 | S | S | * | . | S | Bend | trans | 85 | -4.3 | 142.6 | -174.2 | 0 | 0 | 0 | 0 | 121.1 | ||
| 212 | S | 47.1 | Very low | 71.6 | Confident | 50 Ų | 50 | 81.1 Ų | 81.1 | 35% | 0.35 | 45% | 0.448 | S | S | . | . | trans | -146.5 | 109.1 | 164.7 | -71.5 | 0 | 0 | 0 | 0 | 111.6 | S214 | S212-S214 PolarHBondContact O-N 3.49Š| ||
| 213 | R | 56.2 | Low | 71.9 | Confident | 166 Ų | 166 | 78.8 Ų | 78.8 | 63% | 0.626 | 43% | 0.434 | S | S | * | . | trans | -73.7 | 42.6 | 171.4 | -66.4 | -177.3 | 176.6 | 162.5 | 0.7 | 111.5 | F182 V203 G215 Y578 | F182-R213 VanDerWaalsContact O-O 3.09Å; V203-R213 HydrophobicContact CG2-CB 4.29Å; R213-G215 PolarHBondContact O-N 2.93Å; R213-Y578 HydrophobicContact CB-CE2 4.43Å; R213-Y578 WeakPolarHBondContact CB-OH 3.5Å | ||
| 214 | S | 67.6 | Low | 72.2 | Confident | 75 Ų | 75 | 77.5 Ų | 77.5 | 52% | 0.524 | 43% | 0.425 | S | S | . | . | trans | -73.4 | 104.3 | 162.6 | 56.8 | 0 | 0 | 0 | 0 | 107.5 | F182 S212 | F182-S214 VanDerWaalsContact O-CA 3.32Å; F182-S214 WeakPolarHBondContact O-CA 3.45Å; S212-S214 PolarHBondContact O-N 3.49Å | ||
| 215 | G | 82.7 | Confident | 72.6 | Confident | 7 Ų | 7 | 72.3 Ų | 72.3 | 7% | 0.072 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 167.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T181 F182 R213 V217 | T181-G215 VanDerWaalsContact CA-O 3.29Å; T181-G215 WeakPolarHBondContact CA-O 3.19Å; F182-G215 PolarHBondContact N-O 3.09Å; F182-G215 VanDerWaalsContact N-O 3.17Å; F182-G215 PolarHBondContact O-N 3.46Å; R213-G215 PolarHBondContact O-N 2.93Å; G215-V217 PolarHBondContact O-N 2.93Å |
| 216 | I | 88.8 | Confident | 73.8 | Confident | 61 Ų | 61 | 70.9 Ų | 70.9 | 31% | 0.313 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 128.4 | 177.8 | -61.9 | 158.7 | 0 | 0 | 0 | 108 | R179 L180 T181 V203 N204 V218 | R179-I216 HydrophobicContact CB-CG1 4.34Å; R179-I216 HydrophobicContact CB-CG2 4.4Å; L180-I216 WeakPolarHBondContact O-CA 3.08Å; T181-I216 HydrophobicContact CG2-CG1 4.47Å; V203-I216 CarbonylContact C-O 3.57Å; V203-I216 VanDerWaalsContact CA-O 3.24Å; V203-I216 WeakPolarHBondContact CA-O 3.26Å; N204-I216 PolarHBondContact N-O 3.11Å; N204-I216 PolarHBondContact O-N 2.95Å; I216-V218 PolarHBondContact O-N 2.92Å |
| 217 | V | 91.1 | Very high | 75.4 | Confident | 9 Ų | 9 | 65.6 Ų | 65.6 | 6% | 0.055 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 119.6 | 177.9 | 176.9 | 0 | 0 | 0 | 0 | 109.5 | L117 L180 F182 V201 G215 | L117-V217 HydrophobicContact CD1-CG1 3.64Å; L180-V217 HydrophobicContact CB-CB 4.41Å; L180-V217 HydrophobicContact CD2-CB 3.99Å; L180-V217 HydrophobicContact CD2-CG1 4.15Å; L180-V217 HydrophobicContact CD2-CG2 4.17Å; L180-V217 HydrophobicContact CG-CB 4.07Å; L180-V217 HydrophobicContact CG-CG2 3.92Å; L180-V217 PolarHBondContact O-N 2.94Å; F182-V217 HydrophobicContact CB-CG2 3.69Å; V201-V217 HydrophobicContact CG1-CB 4.41Å; V201-V217 HydrophobicContact CG1-CG1 3.94Å; V201-V217 HydrophobicContact CG1-CG2 3.88Å; G215-V217 PolarHBondContact O-N 2.93Å |
| 218 | V | 90.3 | Very high | 77.7 | Confident | 72 Ų | 72 | 61.8 Ų | 61.8 | 44% | 0.436 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -46.1 | 172.1 | 179.4 | 0 | 0 | 0 | 0 | 109.3 | N115 Y171 T202 N204 I216 | N115-V218 PolarHBondContact ND2-O 3.35Å; Y171-V218 PolarHBondContact OH-O 3.47Å; T202-V218 PolarHBondContact O-N 3.5Å; N204-V218 HydrophobicContact CB-CG2 3.66Å; I216-V218 PolarHBondContact O-N 2.92Å |
| 219 | E | 92.1 | Very high | 80.2 | Confident | 66 Ų | 66 | 56.9 Ų | 56.9 | 31% | 0.308 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 156.5 | -179.4 | 100.4 | -155.4 | 130.5 | 0 | 0 | 111.4 | N115 V201 T202 | N115-E219 HydrophobicContact CB-CB 3.96Å; V201-E219 CarbonylContact C-O 3.52Å; V201-E219 WeakPolarHBondContact CA-O 3.47Å; T202-E219 WeakPolarHBondContact CB-OE1 3.29Å; T202-E219 HydrophobicContact CG2-CG 4.09Å; T202-E219 WeakPolarHBondContact CG2-OE1 3.07Å; T202-E219 PolarHBondContact N-O 3.02Å; T202-E219 PolarHBondContact O-N 3.24Å; T202-E219 VanDerWaalsContact OG1-CD 3.25Å; T202-E219 WeakPolarHBondContact OG1-CG 3.44Å; T202-E219 PolarHBondContact OG1-OE1 3.27Å |
| 220 | A | 94.9 | Very high | 82.7 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -133.1 | 141.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | N115 V116 L117 L198 V201 | N115-A220 CarbonylContact C-O 3.56Å; N115-A220 WeakPolarHBondContact CA-O 3.24Å; N115-A220 PolarHBondContact OD1-N 3.44Å; N115-A220 PolarHBondContact OD1-O 3.21Å; V116-A220 HydrophobicContact CG1-CB 4.09Å; V116-A220 WeakPolarHBondContact CG1-O 3.43Å; V116-A220 PolarHBondContact N-O 2.71Å; L117-A220 HydrophobicContact CD1-CB 4Å; L117-A220 HydrophobicContact CG-CB 4.05Å; L198-A220 HydrophobicContact CB-CB 4.32Å; L198-A220 HydrophobicContact CD2-CB 4.33Å; V201-A220 HydrophobicContact CG2-CB 4.07Å | ||
| 221 | K | 95.4 | Very high | 85.4 | Confident | 98 Ų | 98 | 40.4 Ų | 40.4 | 43% | 0.426 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -89.8 | -28.2 | -177.9 | -68.3 | -176 | 177 | -176.5 | 0 | 113.1 | G199 G200 | G199-K221 PolarHBondContact O-N 2.87Å; G200-K221 PolarHBondContact O-N 3.12Å |
| 222 | A | 96.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 144.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I107 V108 T109 G199 N574 F575 | I107-A222 HydrophobicContact CG2-CB 3.96Å; V108-A222 WeakPolarHBondContact O-CA 3.42Å; T109-A222 HydrophobicContact CG2-CB 3.99Å; G199-A222 PolarHBondContact N-O 3.39Å; G199-A222 PolarHBondContact O-N 3.11Å; G199-A222 VanDerWaalsContact O-N 3.09Å; A222-N574 HydrophobicContact CB-CB 3.75Å; A222-F575 HydrophobicContact CB-CE2 3.66Å; A222-F575 HydrophobicContact CB-CZ 3.97Å |
| 223 | W | 96.7 | Very high | 89.4 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 120.9 | 173.8 | -159.3 | -22.7 | 0 | 0 | 0 | 109.7 | V108 V116 L117 V125 H163 I164 I167 A197 L198 | V108-W223 HydrophobicContact CB-CB 4.43Å; V108-W223 PolarHBondContact N-O 3.11Å; V108-W223 PolarHBondContact O-N 3.22Å; V116-W223 HydrophobicContact CG1-CB 4.13Å; V116-W223 HydrophobicContact CG2-CB 4.18Å; L117-W223 HydrophobicContact CD2-CE3 4.38Å; L117-W223 HydrophobicContact CD2-CZ3 4.25Å; V125-W223 HydrophobicContact CB-CE3 4.27Å; V125-W223 HydrophobicContact CB-CZ3 4.36Å; V125-W223 HydrophobicContact CG1-CD2 4.11Å; V125-W223 HydrophobicContact CG1-CE3 3.96Å; V125-W223 HydrophobicContact CG1-CZ3 4.19Å; V125-W223 HydrophobicContact CG2-CE3 3.94Å; V125-W223 HydrophobicContact CG2-CZ3 4.39Å; H163-W223 AromaticContact CD2-NE1 3.5Å; H163-W223 PolarHBondContact CD2-NE1 2.9Å; H163-W223 AromaticContact NE2-NE1 3.25Å; H163-W223 PolarHBondContact NE2-NE1 2.92Å; I164-W223 HydrophobicContact CB-CH2 4.47Å; I164-W223 HydrophobicContact CB-CZ2 4.16Å; I164-W223 HydrophobicContact CG1-CZ2 4.08Å; I164-W223 HydrophobicContact CG2-CH2 4.02Å; I164-W223 HydrophobicContact CG2-CZ2 4.2Å; I167-W223 HydrophobicContact CB-CH2 4.2Å; I167-W223 HydrophobicContact CB-CZ2 3.91Å; I167-W223 HydrophobicContact CD1-CZ2 3.97Å; I167-W223 HydrophobicContact CG2-CH2 4Å; I167-W223 HydrophobicContact CG2-CZ2 3.93Å; A197-W223 CarbonylContact O-C 3.48Å; A197-W223 WeakPolarHBondContact O-CA 3.24Å; A197-W223 VanDerWaalsContact O-CD1 3.27Å; L198-W223 HydrophobicContact CD2-CD2 4.25Å; L198-W223 HydrophobicContact CD2-CG 4.1Å |
| 224 | M | 95.7 | Very high | 91.1 | Very high | 10 Ų | 10 | 39.4 Ų | 39.4 | 5% | 0.049 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 128.9 | 176.6 | -172.1 | 70.1 | 67.4 | 0 | 0 | 111.2 | Q105 V106 I107 Q196 A197 V226 F567 L571 F575 | Q105-M224 HydrophobicContact CB-SD 4.11Å; V106-M224 CarbonylContact O-C 3.58Å; V106-M224 WeakPolarHBondContact O-CA 3.32Å; I107-M224 HydrophobicContact CD1-CE 3.67Å; I107-M224 HydrophobicContact CD1-SD 4.47Å; I107-M224 HydrophobicContact CG1-CE 3.34Å; I107-M224 HydrophobicContact CG1-SD 3.62Å; Q196-M224 WeakPolarHBondContact O-CB 3.41Å; A197-M224 PolarHBondContact O-N 3.19Å; M224-V226 HydrophobicContact CG-CG2 3.93Å; M224-F567 HydrophobicContact CE-CZ 4.36Å; M224-F567 HydrophobicContact SD-CE2 4.41Å; M224-F567 HydrophobicContact SD-CZ 4.36Å; M224-L571 HydrophobicContact CE-CD1 4.01Å; M224-F575 HydrophobicContact CB-CE1 3.8Å; M224-F575 HydrophobicContact CB-CZ 3.67Å; M224-F575 HydrophobicContact CE-CD1 4.34Å; M224-F575 HydrophobicContact CE-CD2 3.96Å; M224-F575 HydrophobicContact CE-CE1 4.09Å; M224-F575 HydrophobicContact CE-CE2 3.68Å; M224-F575 HydrophobicContact CE-CG 4.28Å; M224-F575 HydrophobicContact CE-CZ 3.77Å |
| 225 | L | 95.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 135.5 | 168.3 | -50.5 | -179.5 | 0 | 0 | 0 | 108.9 | Q105 V106 V108 V125 N161 I164 Y227 | Q105-L225 CarbonylContact C-O 3.45Å; Q105-L225 VanDerWaalsContact CA-O 3.3Å; Q105-L225 WeakPolarHBondContact CA-O 3.36Å; V106-L225 HydrophobicContact CB-CB 4.18Å; V106-L225 PolarHBondContact N-O 3.06Å; V106-L225 PolarHBondContact O-N 2.84Å; V108-L225 HydrophobicContact CG2-CD1 4.43Å; V125-L225 HydrophobicContact CG1-CD1 4.31Å; V125-L225 HydrophobicContact CG1-CD2 4.16Å; N161-L225 HydrophobicContact CB-CD2 4.04Å; N161-L225 WeakPolarHBondContact OD1-CA 3.41Å; I164-L225 HydrophobicContact CD1-CD2 3.71Å; I164-L225 HydrophobicContact CG1-CD2 3.91Å; L225-Y227 HydrophobicContact CB-CE2 3.81Å |
| 226 | V | 93.8 | Very high | 92.8 | Very high | 33 Ų | 33 | 44.3 Ų | 44.3 | 20% | 0.2 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 132.9 | -177.9 | -175.8 | 0 | 0 | 0 | 0 | 109.5 | Q103 Q105 N161 M224 | Q103-V226 VanDerWaalsContact CD-CG1 3.48Å; Q103-V226 HydrophobicContact CG-CG1 3.87Å; Q105-V226 HydrophobicContact CG-CG2 4.37Å; N161-V226 PolarHBondContact ND2-O 2.88Å; N161-V226 PolarHBondContact OD1-N 3.3Å; N161-V226 PolarHBondContact OD1-O 2.99Å; M224-V226 HydrophobicContact CG-CG2 3.93Å |
| 227 | Y | 94.4 | Very high | 93 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 108.9 | -179.9 | -59.4 | -84.8 | 0 | 0 | 0 | 108.5 | C104 V106 N129 I132 V133 Y147 N161 L225 F247 | C104-Y227 PolarHBondContact N-O 3.03Å; C104-Y227 PolarHBondContact O-N 3.38Å; V106-Y227 HydrophobicContact CG2-CE2 4.13Å; N129-Y227 WeakPolarHBondContact CA-OH 3.35Å; N129-Y227 WeakPolarHBondContact OD1-CE1 3.43Å; N129-Y227 PolarHBondContact OD1-OH 2.98Å; I132-Y227 HydrophobicContact CB-CE1 4.22Å; I132-Y227 HydrophobicContact CB-CE2 4.43Å; I132-Y227 HydrophobicContact CD1-CE2 3.74Å; I132-Y227 WeakPolarHBondContact CD1-OH 3.39Å; I132-Y227 HydrophobicContact CG2-CD1 3.96Å; I132-Y227 HydrophobicContact CG2-CD2 4.11Å; I132-Y227 HydrophobicContact CG2-CE1 3.66Å; I132-Y227 HydrophobicContact CG2-CE2 3.82Å; I132-Y227 HydrophobicContact CG2-CG 4.17Å; V133-Y227 HydrophobicContact CG2-CE1 4Å; Y147-Y227 HydrophobicContact CD1-CD1 4.39Å; Y147-Y227 HydrophobicContact CD2-CD1 4.38Å; Y147-Y227 HydrophobicContact CE1-CD1 4.08Å; Y147-Y227 HydrophobicContact CE2-CD1 4.13Å; Y147-Y227 HydrophobicContact CE2-CG 4.37Å; Y147-Y227 AromaticContact CZ-CD1 3.96Å; N161-Y227 WeakPolarHBondContact ND2-CE1 3.38Å; N161-Y227 PolarHBondContact ND2-OH 3.18Å; L225-Y227 HydrophobicContact CB-CE2 3.81Å; Y227-F247 HydrophobicContact CD2-CE2 4.27Å |
| 228 | Q | 93.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 124.8 | 177.9 | -174.9 | 60.2 | 54.4 | 0 | 0 | 110.3 | Y92 K101 R102 Y147 C151 M152 | Y92-Q228 HydrophobicContact CD1-CB 4.13Å; Y92-Q228 HydrophobicContact CD1-CG 4.32Å; Y92-Q228 HydrophobicContact CD2-CG 4.12Å; Y92-Q228 HydrophobicContact CE1-CB 3.5Å; Y92-Q228 VanDerWaalsContact CE1-CB 3.5Å; Y92-Q228 HydrophobicContact CE1-CG 4.07Å; Y92-Q228 HydrophobicContact CE2-CB 3.96Å; Y92-Q228 HydrophobicContact CE2-CG 3.83Å; Y92-Q228 HydrophobicContact CG-CG 4.4Å; Y92-Q228 VanDerWaalsContact CZ-CB 3.4Å; K101-Q228 PolarHBondContact O-NE2 3.45Å; R102-Q228 PolarHBondContact O-NE2 3.17Å; Y147-Q228 PolarHBondContact OH-N 3.15Å; Y147-Q228 PolarHBondContact OH-O 3.43Å; C151-Q228 WeakPolarHBondContact CA-O 3.29Å; M152-Q228 HydrophobicContact CB-CG 4.02Å; M152-Q228 PolarHBondContact N-O 2.79Å; M152-Q228 VanDerWaalsContact N-O 3.15Å; M152-Q228 HydrophobicContact SD-CG 4.36Å |
| 229 | L | 94 | Very high | 93.5 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | B | Isolated β-bridge | trans | -102 | 164.2 | 174.4 | -52.5 | 159.6 | 0 | 0 | 0 | 110.8 | R102 Y147 L150 S240 W243 E244 | R102-L229 HydrophobicContact CB-CB 3.97Å; R102-L229 HydrophobicContact CB-CD1 4.48Å; R102-L229 VanDerWaalsContact O-CB 3.28Å; R102-L229 WeakPolarHBondContact O-CB 3.38Å; R102-L229 PolarHBondContact O-N 3.21Å; Y147-L229 HydrophobicContact CD2-CD2 3.59Å; Y147-L229 HydrophobicContact CE2-CD2 3.74Å; Y147-L229 HydrophobicContact CE2-CG 4.45Å; L150-L229 HydrophobicContact CB-CD2 3.96Å; L150-L229 CarbonylContact O-C 3.6Å; L150-L229 WeakPolarHBondContact O-CA 3.4Å; L229-S240 WeakPolarHBondContact CB-OG 3.36Å; L229-W243 HydrophobicContact CD1-CD2 4.39Å; L229-W243 HydrophobicContact CD1-CE3 3.53Å; L229-W243 HydrophobicContact CD1-CZ3 4.03Å; L229-W243 HydrophobicContact CD2-CD2 4.12Å; L229-W243 HydrophobicContact CD2-CE3 3.79Å; L229-W243 HydrophobicContact CD2-CZ3 4.06Å; L229-W243 HydrophobicContact CG-CE3 4.19Å; L229-W243 HydrophobicContact CG-CZ3 4.41Å; L229-E244 HydrophobicContact CD1-CG 3.85Å |
| 230 | R | 92.2 | Very high | 93.7 | Very high | 42 Ų | 42 | 39.8 Ų | 39.8 | 16% | 0.158 | 19% | 0.185 | C | C | . | . | P | Polyproline II helix | trans | -76.7 | 144.2 | 176.6 | -74.8 | -177.6 | 63.9 | 178.8 | 3.2 | 112.5 | E89 L150 C151 M152 D232 Y236 S240 | E89-R230 WeakPolarHBondContact OE2-CD 3.31Å; E89-R230 WeakPolarHBondContact OE2-CG 3.49Å; E89-R230 IonicContact OE2-NE 2.81Å; L150-R230 WeakPolarHBondContact O-CB 3.4Å; L150-R230 WeakPolarHBondContact O-CG 3.42Å; L150-R230 PolarHBondContact O-N 3.21Å; C151-R230 WeakPolarHBondContact O-CG 3.29Å; M152-R230 HydrophobicContact CB-CG 4.34Å; R230-D232 WeakPolarHBondContact CB-OD1 3.35Å; R230-D232 IonicContact CZ-OD1 2.71Å; R230-D232 IonicContact CZ-OD2 3.27Å; R230-D232 IonicContact NE-OD1 3.34Å; R230-D232 PolarHBondContact NE-OD1 2.94Å; R230-D232 IonicContact NE-OD2 3.44Å; R230-D232 IonicContact NH2-OD1 2.84Å; R230-D232 PolarHBondContact NH2-OD1 3.2Å; R230-D232 IonicContact NH2-OD2 3.46Å; R230-D232 PolarHBondContact NH2-OD2 2Å; R230-Y236 HydrophobicContact CB-CD1 4.37Å; R230-Y236 HydrophobicContact CB-CG 4.28Å; R230-S240 VanDerWaalsContact O-CB 3.31Å; R230-S240 WeakPolarHBondContact O-CB 3.24Å; R230-S240 PolarHBondContact O-OG 3.2Å |
| 231 | F | 91.2 | Very high | 93.7 | Very high | 29 Ų | 29 | 40 Ų | 40 | 13% | 0.127 | 19% | 0.188 | C | C | . | . | trans | -149.7 | 14.4 | 176.8 | 59.3 | -96.1 | 0 | 0 | 0 | 112.6 | L87 K101 R102 M152 D237 | L87-F231 HydrophobicContact CB-CE1 4.44Å; L87-F231 HydrophobicContact CB-CE2 4.39Å; L87-F231 HydrophobicContact CB-CZ 3.63Å; L87-F231 HydrophobicContact CD1-CZ 4.25Å; L87-F231 HydrophobicContact CG-CZ 4.44Å; K101-F231 HydrophobicContact CB-CD1 4.43Å; K101-F231 HydrophobicContact CB-CE1 4.31Å; K101-F231 HydrophobicContact CB-CZ 4.38Å; K101-F231 HydrophobicContact CD-CB 4.42Å; K101-F231 HydrophobicContact CD-CD2 3.83Å; K101-F231 HydrophobicContact CD-CE2 4.24Å; K101-F231 HydrophobicContact CD-CG 4.09Å; K101-F231 HydrophobicContact CG-CD1 4.42Å; K101-F231 HydrophobicContact CG-CD2 4.38Å; K101-F231 HydrophobicContact CG-CG 4.21Å; K101-F231 WeakPolarHBondContact O-CD1 3.44Å; K101-F231 WeakPolarHBondContact O-CE1 3.35Å; R102-F231 HydrophobicContact CB-CB 4.37Å; R102-F231 HydrophobicContact CB-CD1 4.15Å; R102-F231 HydrophobicContact CG-CB 3.68Å; R102-F231 HydrophobicContact CG-CD1 4.3Å; R102-F231 HydrophobicContact CG-CG 4.37Å; M152-F231 HydrophobicContact CE-CD1 4.07Å; M152-F231 HydrophobicContact CE-CE1 3.75Å; M152-F231 HydrophobicContact CE-CZ 4.29Å; F231-D237 HydrophobicContact CB-CB 4.31Å; F231-D237 WeakPolarHBondContact CB-OD1 3.34Å | ||
| 232 | D | 87.2 | Confident | 93.7 | Very high | 80 Ų | 80 | 38 Ų | 38 | 43% | 0.428 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -67.8 | -37.1 | -177.4 | 54 | -55.7 | 0 | 0 | 0 | 112.3 | R230 | R230-D232 WeakPolarHBondContact CB-OD1 3.35Å; R230-D232 IonicContact CZ-OD1 2.71Å; R230-D232 IonicContact CZ-OD2 3.27Å; R230-D232 IonicContact NE-OD1 3.34Å; R230-D232 PolarHBondContact NE-OD1 2.94Å; R230-D232 IonicContact NE-OD2 3.44Å; R230-D232 IonicContact NH2-OD1 2.84Å; R230-D232 PolarHBondContact NH2-OD1 3.2Å; R230-D232 IonicContact NH2-OD2 3.46Å; R230-D232 PolarHBondContact NH2-OD2 2Å |
| 233 | D | 89 | Confident | 93.7 | Very high | 86 Ų | 86 | 38 Ų | 38 | 46% | 0.46 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -108.2 | 150.2 | 172.6 | -166.7 | -62.2 | 0 | 0 | 0 | 110.3 | R235 Y236 D237 | D233-R235 VanDerWaalsContact C-N 3.26Å; D233-R235 PolarHBondContact O-N 3.43Å; D233-R235 PolarHBondContact OD1-N 3.47Å; D233-Y236 HydrophobicContact CB-CD2 3.95Å; D233-Y236 PolarHBondContact O-N 3.16Å; D233-D237 WeakPolarHBondContact O-CB 3.45Å; D233-D237 PolarHBondContact O-N 3.23Å |
| 234 | H | 91.2 | Very high | 93.8 | Very high | 158 Ų | 158 | 38 Ų | 38 | 73% | 0.731 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -54.7 | -38.5 | 172.4 | -175.4 | -84.7 | 0 | 0 | 0 | 113 | L238 | H234-L238 WeakPolarHBondContact O-CB 3.25Å; H234-L238 PolarHBondContact O-N 2.87Å |
| 235 | R | 93.3 | Very high | 93.8 | Very high | 123 Ų | 123 | 42.8 Ų | 42.8 | 46% | 0.464 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -63.2 | -48.3 | 176.1 | -178.8 | -178.5 | 175.9 | -170.6 | -0.9 | 111.3 | E143 Y145 D233 L238 L239 | E143-R235 IonicContact OE2-NH2 2.75Å; Y145-R235 PolarHBondContact OH-NH2 2.74Å; D233-R235 VanDerWaalsContact C-N 3.26Å; D233-R235 PolarHBondContact O-N 3.43Å; D233-R235 PolarHBondContact OD1-N 3.47Å; R235-L238 PolarHBondContact O-N 3.41Å; R235-L239 HydrophobicContact CG-CD1 4.12Å; R235-L239 WeakPolarHBondContact O-CG 3.31Å; R235-L239 PolarHBondContact O-N 3.06Å |
| 236 | Y | 92.8 | Very high | 93.8 | Very high | 63 Ų | 63 | 43.5 Ų | 43.5 | 25% | 0.247 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.1 | -37.6 | 179 | -76.8 | -70.6 | 0 | 0 | 0 | 111.6 | L150 R230 D233 L238 L239 S240 | L150-Y236 HydrophobicContact CD2-CD1 4.06Å; L150-Y236 HydrophobicContact CD2-CE1 4.38Å; R230-Y236 HydrophobicContact CB-CD1 4.37Å; R230-Y236 HydrophobicContact CB-CG 4.28Å; D233-Y236 HydrophobicContact CB-CD2 3.95Å; D233-Y236 PolarHBondContact O-N 3.16Å; Y236-L238 VanDerWaalsContact C-N 3.29Å; Y236-L238 PolarHBondContact O-N 3.47Å; Y236-L239 PolarHBondContact O-N 3.01Å; Y236-S240 WeakPolarHBondContact O-CB 3.35Å; Y236-S240 PolarHBondContact O-N 2.81Å; Y236-S240 PolarHBondContact O-OG 2.9Å |
| 237 | D | 93.5 | Very high | 94 | Very high | 28 Ų | 28 | 42 Ų | 42 | 15% | 0.15 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.3 | -41 | 174.5 | -169.8 | 60.6 | 0 | 0 | 0 | 111.8 | K101 R102 F231 D233 G241 | K101-D237 WeakPolarHBondContact CE-OD1 3.42Å; K101-D237 IonicContact NZ-OD1 3.44Å; K101-D237 PolarHBondContact NZ-OD1 3.38Å; K101-D237 IonicContact NZ-OD2 3.43Å; R102-D237 IonicContact CZ-OD1 2.88Å; R102-D237 IonicContact CZ-OD2 3.19Å; R102-D237 PolarHBondContact NE-O 3.37Å; R102-D237 IonicContact NE-OD1 3.33Å; R102-D237 PolarHBondContact NE-OD1 3.17Å; R102-D237 IonicContact NE-OD2 3.68Å; R102-D237 VanDerWaalsContact NH2-CG 3.33Å; R102-D237 PolarHBondContact NH2-O 3.46Å; R102-D237 IonicContact NH2-OD1 3.32Å; R102-D237 PolarHBondContact NH2-OD1 3.42Å; R102-D237 IonicContact NH2-OD2 2.63Å; R102-D237 PolarHBondContact NH2-OD2 3.4Å; F231-D237 HydrophobicContact CB-CB 4.31Å; F231-D237 WeakPolarHBondContact CB-OD1 3.34Å; D233-D237 WeakPolarHBondContact O-CB 3.45Å; D233-D237 PolarHBondContact O-N 3.23Å; D237-G241 PolarHBondContact O-N 3.38Å |
| 238 | L | 94.4 | Very high | 94 | Very high | 83 Ų | 83 | 43.4 Ų | 43.4 | 44% | 0.435 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -65.1 | -51.3 | 174.4 | 178.3 | 65.1 | 0 | 0 | 0 | 112.1 | H234 R235 Y236 G241 L242 | H234-L238 WeakPolarHBondContact O-CB 3.25Å; H234-L238 PolarHBondContact O-N 2.87Å; R235-L238 PolarHBondContact O-N 3.41Å; Y236-L238 VanDerWaalsContact C-N 3.29Å; Y236-L238 PolarHBondContact O-N 3.47Å; L238-G241 PolarHBondContact O-N 2.98Å; L238-L242 PolarHBondContact O-N 3.48Å |
| 239 | L | 96.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61 | -46.5 | -179.5 | -72.5 | 172 | 0 | 0 | 0 | 111.7 | I138 H140 Y145 L150 R235 Y236 G241 L242 W243 | I138-L239 HydrophobicContact CD1-CD2 4.35Å; I138-L239 VanDerWaalsContact CD1-O 3.27Å; I138-L239 WeakPolarHBondContact CD1-O 3.37Å; H140-L239 HydrophobicContact CB-CD2 3.58Å; Y145-L239 HydrophobicContact CD1-CD1 4.2Å; Y145-L239 HydrophobicContact CD2-CD2 4.11Å; Y145-L239 HydrophobicContact CE1-CD1 3.84Å; Y145-L239 HydrophobicContact CE2-CD1 4.33Å; Y145-L239 HydrophobicContact CE2-CD2 4.04Å; L150-L239 HydrophobicContact CD1-CB 4.49Å; L150-L239 HydrophobicContact CD2-CB 3.8Å; L150-L239 HydrophobicContact CD2-CD1 4.18Å; R235-L239 HydrophobicContact CG-CD1 4.12Å; R235-L239 WeakPolarHBondContact O-CG 3.31Å; R235-L239 PolarHBondContact O-N 3.06Å; Y236-L239 PolarHBondContact O-N 3.01Å; L239-G241 VanDerWaalsContact C-N 3.28Å; L239-G241 PolarHBondContact O-N 2.83Å; L239-L242 WeakPolarHBondContact O-CB 3.15Å; L239-L242 PolarHBondContact O-N 2.89Å; L239-L242 VanDerWaalsContact O-N 3.1Å; L239-W243 PolarHBondContact O-N 3.39Å |
| 240 | S | 95.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.1 | -41.5 | 174.5 | -65.1 | 0 | 0 | 0 | 0 | 111 | L229 R230 Y236 L242 W243 E244 | L229-S240 WeakPolarHBondContact CB-OG 3.36Å; R230-S240 VanDerWaalsContact O-CB 3.31Å; R230-S240 WeakPolarHBondContact O-CB 3.24Å; R230-S240 PolarHBondContact O-OG 3.2Å; Y236-S240 WeakPolarHBondContact O-CB 3.35Å; Y236-S240 PolarHBondContact O-N 2.81Å; Y236-S240 PolarHBondContact O-OG 2.9Å; S240-L242 VanDerWaalsContact C-N 3.3Å; S240-L242 PolarHBondContact O-N 3.5Å; S240-W243 PolarHBondContact O-N 3.45Å; S240-W243 VanDerWaalsContact O-N 3.14Å; S240-E244 WeakPolarHBondContact O-CG 3.38Å; S240-E244 PolarHBondContact O-N 3.09Å |
| 241 | G | 95.5 | Very high | 94.5 | Very high | 6 Ų | 6 | 51.3 Ų | 51.3 | 6% | 0.062 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.7 | -33 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | D237 L238 L239 Q267 | D237-G241 PolarHBondContact O-N 3.38Å; L238-G241 PolarHBondContact O-N 2.98Å; L239-G241 VanDerWaalsContact C-N 3.28Å; L239-G241 PolarHBondContact O-N 2.83Å; G241-Q267 PolarHBondContact O-NE2 2.56Å |
| 242 | L | 95.8 | Very high | 94.6 | Very high | 55 Ų | 55 | 54.1 Ų | 54.1 | 29% | 0.288 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -71.5 | -39.7 | 171.6 | -67.3 | 175.2 | 0 | 0 | 0 | 111.6 | I138 L238 L239 S240 R245 A246 | I138-L242 HydrophobicContact CD1-CB 3.73Å; L238-L242 PolarHBondContact O-N 3.48Å; L239-L242 WeakPolarHBondContact O-CB 3.15Å; L239-L242 PolarHBondContact O-N 2.89Å; L239-L242 VanDerWaalsContact O-N 3.1Å; S240-L242 VanDerWaalsContact C-N 3.3Å; S240-L242 PolarHBondContact O-N 3.5Å; L242-R245 PolarHBondContact O-N 2.89Å; L242-A246 PolarHBondContact O-N 3.16Å |
| 243 | W | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.4 | -39.7 | 178.5 | -170 | 93.7 | 0 | 0 | 0 | 111.8 | C104 I132 I136 I138 Y147 L150 L229 L239 S240 R245 A246 F247 | C104-W243 HydrophobicContact CB-CZ3 4.3Å; I132-W243 HydrophobicContact CG2-CH2 3.89Å; I132-W243 HydrophobicContact CG2-CZ2 4.22Å; I136-W243 HydrophobicContact CB-CZ2 4.21Å; I136-W243 HydrophobicContact CG2-CZ2 4.19Å; I136-W243 PolarHBondContact O-NE1 2.86Å; I136-W243 VanDerWaalsContact O-NE1 3.11Å; I138-W243 HydrophobicContact CD1-CB 4.09Å; I138-W243 HydrophobicContact CG2-CB 4.42Å; Y147-W243 AromaticContact CD2-CH2 3.91Å; Y147-W243 HydrophobicContact CD2-CH2 3.91Å; Y147-W243 HydrophobicContact CD2-CZ2 4.08Å; Y147-W243 HydrophobicContact CD2-CZ3 4.41Å; Y147-W243 HydrophobicContact CG-CZ2 4.35Å; L150-W243 HydrophobicContact CD1-CB 3.74Å; L150-W243 HydrophobicContact CD1-CG 3.99Å; L229-W243 HydrophobicContact CD1-CD2 4.39Å; L229-W243 HydrophobicContact CD1-CE3 3.53Å; L229-W243 HydrophobicContact CD1-CZ3 4.03Å; L229-W243 HydrophobicContact CD2-CD2 4.12Å; L229-W243 HydrophobicContact CD2-CE3 3.79Å; L229-W243 HydrophobicContact CD2-CZ3 4.06Å; L229-W243 HydrophobicContact CG-CE3 4.19Å; L229-W243 HydrophobicContact CG-CZ3 4.41Å; L239-W243 PolarHBondContact O-N 3.39Å; S240-W243 PolarHBondContact O-N 3.45Å; S240-W243 VanDerWaalsContact O-N 3.14Å; W243-R245 PolarHBondContact O-N 2.99Å; W243-A246 CarbonylContact O-C 3.53Å; W243-A246 WeakPolarHBondContact O-CA 3.4Å; W243-A246 WeakPolarHBondContact O-CB 3.46Å; W243-A246 PolarHBondContact O-N 3.47Å; W243-F247 HydrophobicContact CE3-CB 3.94Å; W243-F247 HydrophobicContact CH2-CB 4.13Å; W243-F247 AromaticContact CH2-CD2 3.72Å; W243-F247 HydrophobicContact CH2-CD2 3.72Å; W243-F247 HydrophobicContact CH2-CG 4.26Å; W243-F247 HydrophobicContact CZ3-CB 3.74Å; W243-F247 AromaticContact CZ3-CD2 3.84Å; W243-F247 HydrophobicContact CZ3-CD2 3.84Å; W243-F247 AromaticContact CZ3-CG 3.97Å; W243-F247 HydrophobicContact CZ3-CG 3.97Å; W243-F247 WeakPolarHBondContact O-CB 3.44Å; W243-F247 PolarHBondContact O-N 3.06Å |
| 244 | E | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -53.2 | -40.5 | 173.1 | -73.4 | -177 | 124.2 | 0 | 0 | 112.1 | R102 L229 S240 F247 E248 H265 S266 Q267 | R102-E244 WeakPolarHBondContact CA-OE1 2.94Å; R102-E244 WeakPolarHBondContact CD-OE2 2.92Å; R102-E244 IonicContact CZ-OE2 3.02Å; R102-E244 IonicContact NH1-OE2 2.77Å; R102-E244 PolarHBondContact NH1-OE2 2.78Å; L229-E244 HydrophobicContact CD1-CG 3.85Å; S240-E244 WeakPolarHBondContact O-CG 3.38Å; S240-E244 PolarHBondContact O-N 3.09Å; E244-F247 WeakPolarHBondContact O-CB 3.43Å; E244-F247 PolarHBondContact O-N 2.99Å; E244-E248 WeakPolarHBondContact O-CB 3.19Å; E244-E248 PolarHBondContact O-N 3.25Å; E244-H265 HydrophobicContact CB-CB 4.32Å; E244-H265 HydrophobicContact CG-CB 4.23Å; E244-S266 VanDerWaalsContact CD-OG 3.29Å; E244-S266 WeakPolarHBondContact OE1-CB 3.31Å; E244-S266 PolarHBondContact OE1-N 3.26Å; E244-S266 VanDerWaalsContact OE1-N 3.16Å; E244-S266 PolarHBondContact OE1-OG 2.94Å; E244-S266 PolarHBondContact OE2-OG 2.9Å; E244-Q267 PolarHBondContact OE2-NE2 3.09Å |
| 245 | R | 95.7 | Very high | 95.3 | Very high | 111 Ų | 111 | 52.3 Ų | 52.3 | 42% | 0.419 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -71.4 | -33.7 | 177.1 | -65 | 175.5 | -177.7 | 173.4 | 1.4 | 112.8 | L242 W243 R249 | L242-R245 PolarHBondContact O-N 2.89Å; W243-R245 PolarHBondContact O-N 2.99Å; R245-R249 VanDerWaalsContact O-CG 3.3Å; R245-R249 WeakPolarHBondContact O-CG 3.47Å; R245-R249 PolarHBondContact O-N 3.49Å |
| 246 | A | 96.3 | Very high | 95.3 | Very high | 16 Ų | 16 | 48 Ų | 48 | 13% | 0.132 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.5 | -42.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | I136 I138 L242 W243 R249 S250 | I136-A246 HydrophobicContact CG2-CB 3.95Å; I138-A246 HydrophobicContact CG2-CB 3.62Å; L242-A246 PolarHBondContact O-N 3.16Å; W243-A246 CarbonylContact O-C 3.53Å; W243-A246 WeakPolarHBondContact O-CA 3.4Å; W243-A246 WeakPolarHBondContact O-CB 3.46Å; W243-A246 PolarHBondContact O-N 3.47Å; A246-R249 PolarHBondContact O-N 2.85Å; A246-S250 WeakPolarHBondContact O-CB 3.34Å; A246-S250 PolarHBondContact O-N 3.15Å; A246-S250 PolarHBondContact O-OG 2.87Å; A246-S250 VanDerWaalsContact O-OG 3.08Å |
| 247 | F | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -55.7 | -50.2 | 173.3 | 167.7 | -89.7 | 0 | 0 | 0 | 112 | C104 V106 I132 I136 Y227 W243 E244 R249 S250 L251 P263 | C104-F247 HydrophobicContact CB-CD1 4.02Å; C104-F247 HydrophobicContact CB-CD2 4.24Å; C104-F247 HydrophobicContact CB-CE1 3.66Å; C104-F247 HydrophobicContact CB-CE2 3.87Å; C104-F247 HydrophobicContact CB-CG 4.28Å; C104-F247 HydrophobicContact CB-CZ 3.56Å; V106-F247 HydrophobicContact CG2-CE2 3.75Å; V106-F247 HydrophobicContact CG2-CZ 3.4Å; I132-F247 HydrophobicContact CD1-CE2 4.34Å; I132-F247 HydrophobicContact CG2-CD2 4.07Å; I132-F247 HydrophobicContact CG2-CE2 4.09Å; I136-F247 HydrophobicContact CD1-CD2 4.28Å; Y227-F247 HydrophobicContact CD2-CE2 4.27Å; W243-F247 HydrophobicContact CE3-CB 3.94Å; W243-F247 HydrophobicContact CH2-CB 4.13Å; W243-F247 AromaticContact CH2-CD2 3.72Å; W243-F247 HydrophobicContact CH2-CD2 3.72Å; W243-F247 HydrophobicContact CH2-CG 4.26Å; W243-F247 HydrophobicContact CZ3-CB 3.74Å; W243-F247 AromaticContact CZ3-CD2 3.84Å; W243-F247 HydrophobicContact CZ3-CD2 3.84Å; W243-F247 AromaticContact CZ3-CG 3.97Å; W243-F247 HydrophobicContact CZ3-CG 3.97Å; W243-F247 WeakPolarHBondContact O-CB 3.44Å; W243-F247 PolarHBondContact O-N 3.06Å; E244-F247 WeakPolarHBondContact O-CB 3.43Å; E244-F247 PolarHBondContact O-N 2.99Å; F247-R249 PolarHBondContact O-N 2.96Å; F247-S250 PolarHBondContact O-N 2.83Å; F247-L251 HydrophobicContact CD1-CD1 4.31Å; F247-L251 HydrophobicContact CD2-CD1 3.84Å; F247-L251 HydrophobicContact CD2-CG 4.44Å; F247-L251 HydrophobicContact CE1-CD1 3.8Å; F247-L251 HydrophobicContact CE2-CD1 3.29Å; F247-L251 HydrophobicContact CE2-CG 4.31Å; F247-L251 HydrophobicContact CG-CD1 4.33Å; F247-L251 HydrophobicContact CZ-CD1 3.27Å; F247-L251 WeakPolarHBondContact O-CG 3.31Å; F247-L251 PolarHBondContact O-N 3.1Å; F247-P263 HydrophobicContact CE1-CB 4Å; F247-P263 HydrophobicContact CZ-CB 4.44Å |
| 248 | E | 95.7 | Very high | 95.4 | Very high | 30 Ų | 30 | 51.5 Ų | 51.5 | 14% | 0.14 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -54.7 | -54.7 | 175.5 | -178 | -168.5 | 166.3 | 0 | 0 | 111.3 | E244 S250 L251 L252 H265 Y563 | E244-E248 WeakPolarHBondContact O-CB 3.19Å; E244-E248 PolarHBondContact O-N 3.25Å; E248-S250 VanDerWaalsContact C-N 3.34Å; E248-S250 PolarHBondContact O-N 3.34Å; E248-L251 PolarHBondContact O-N 3.36Å; E248-L252 HydrophobicContact CG-CD1 3.78Å; E248-L252 HydrophobicContact CG-CG 4.31Å; E248-L252 WeakPolarHBondContact O-CB 3.39Å; E248-L252 VanDerWaalsContact O-CG 3.26Å; E248-L252 WeakPolarHBondContact O-CG 3.46Å; E248-L252 PolarHBondContact O-N 2.85Å; E248-H265 IonicContact OE2-NE2 3.02Å; E248-H265 PolarHBondContact OE2-NE2 2.71Å; E248-Y563 VanDerWaalsContact CD-OH 3.26Å; E248-Y563 HydrophobicContact CG-CE1 4.17Å; E248-Y563 WeakPolarHBondContact OE1-CE1 3.26Å; E248-Y563 PolarHBondContact OE1-OH 3.19Å |
| 249 | R | 95.7 | Very high | 95.5 | Very high | 173 Ų | 173 | 47.6 Ų | 47.6 | 65% | 0.653 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -60.9 | -41.1 | -177.8 | -69.3 | 176 | -150.6 | 162.9 | 4.7 | 113 | R245 A246 F247 S253 | R245-R249 VanDerWaalsContact O-CG 3.3Å; R245-R249 WeakPolarHBondContact O-CG 3.47Å; R245-R249 PolarHBondContact O-N 3.49Å; A246-R249 PolarHBondContact O-N 2.85Å; F247-R249 PolarHBondContact O-N 2.96Å; R249-S253 PolarHBondContact O-N 2.82Å; R249-S253 PolarHBondContact O-OG 3.34Å |
| 250 | S | 96.6 | Very high | 95.4 | Very high | 33 Ų | 33 | 50.8 Ų | 50.8 | 23% | 0.231 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.6 | -38.3 | -179.9 | -67.3 | 0 | 0 | 0 | 0 | 111.9 | A246 F247 E248 S253 Y254 | A246-S250 WeakPolarHBondContact O-CB 3.34Å; A246-S250 PolarHBondContact O-N 3.15Å; A246-S250 PolarHBondContact O-OG 2.87Å; A246-S250 VanDerWaalsContact O-OG 3.08Å; F247-S250 PolarHBondContact O-N 2.83Å; E248-S250 VanDerWaalsContact C-N 3.34Å; E248-S250 PolarHBondContact O-N 3.34Å; S250-S253 PolarHBondContact O-OG 2.97Å; S250-S253 VanDerWaalsContact O-OG 3.12Å; S250-Y254 PolarHBondContact O-N 3.02Å |
| 251 | L | 96.3 | Very high | 95.4 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -82.6 | -31.2 | -179.2 | -67.7 | -173.9 | 0 | 0 | 0 | 113.5 | V106 L128 I132 F247 E248 S253 Y254 V261 P263 | V106-L251 HydrophobicContact CG1-CD1 4.46Å; V106-L251 HydrophobicContact CG2-CD1 3.53Å; L128-L251 HydrophobicContact CD1-CD2 3.86Å; I132-L251 HydrophobicContact CD1-CD1 4.27Å; I132-L251 HydrophobicContact CD1-CD2 4.12Å; I132-L251 HydrophobicContact CG1-CD2 4.12Å; F247-L251 HydrophobicContact CD1-CD1 4.31Å; F247-L251 HydrophobicContact CD2-CD1 3.84Å; F247-L251 HydrophobicContact CD2-CG 4.44Å; F247-L251 HydrophobicContact CE1-CD1 3.8Å; F247-L251 HydrophobicContact CE2-CD1 3.29Å; F247-L251 HydrophobicContact CE2-CG 4.31Å; F247-L251 HydrophobicContact CG-CD1 4.33Å; F247-L251 HydrophobicContact CZ-CD1 3.27Å; F247-L251 WeakPolarHBondContact O-CG 3.31Å; F247-L251 PolarHBondContact O-N 3.1Å; E248-L251 PolarHBondContact O-N 3.36Å; L251-S253 PolarHBondContact O-N 2.98Å; L251-Y254 WeakPolarHBondContact O-CB 3.02Å; L251-Y254 PolarHBondContact O-N 2.99Å; L251-V261 HydrophobicContact CD2-CG1 4.45Å; L251-P263 HydrophobicContact CB-CB 3.91Å; L251-P263 HydrophobicContact CB-CG 4.04Å; L251-P263 HydrophobicContact CD1-CB 3.8Å |
| 252 | L | 94.2 | Very high | 95.4 | Very high | 87 Ų | 87 | 51.5 Ų | 51.5 | 46% | 0.455 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -67.4 | -27.2 | 171.7 | -68.5 | 179.8 | 0 | 0 | 0 | 112.6 | E248 P263 Y563 | E248-L252 HydrophobicContact CG-CD1 3.78Å; E248-L252 HydrophobicContact CG-CG 4.31Å; E248-L252 WeakPolarHBondContact O-CB 3.39Å; E248-L252 VanDerWaalsContact O-CG 3.26Å; E248-L252 WeakPolarHBondContact O-CG 3.46Å; E248-L252 PolarHBondContact O-N 2.85Å; L252-P263 HydrophobicContact CD2-CG 3.97Å; L252-P263 HydrophobicContact CG-CG 4.44Å; L252-Y563 HydrophobicContact CD1-CD1 3.95Å; L252-Y563 HydrophobicContact CD1-CE1 4.19Å; L252-Y563 HydrophobicContact CD1-CG 4.42Å; L252-Y563 HydrophobicContact CD2-CD1 4.06Å; L252-Y563 HydrophobicContact CD2-CD2 4.21Å; L252-Y563 HydrophobicContact CD2-CG 3.7Å |
| 253 | S | 93.9 | Very high | 95.5 | Very high | 93 Ų | 93 | 49.1 Ų | 49.1 | 65% | 0.65 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -88.9 | -8.9 | 173.4 | 57.4 | 0 | 0 | 0 | 0 | 113.6 | R249 S250 L251 N255 | R249-S253 PolarHBondContact O-N 2.82Å; R249-S253 PolarHBondContact O-OG 3.34Å; S250-S253 PolarHBondContact O-OG 2.97Å; S250-S253 VanDerWaalsContact O-OG 3.12Å; L251-S253 PolarHBondContact O-N 2.98Å; S253-N255 PolarHBondContact O-N 3.06Å |
| 254 | Y | 94.2 | Very high | 95.4 | Very high | 62 Ų | 62 | 49.8 Ų | 49.8 | 24% | 0.243 | 26% | 0.258 | C | S | . | . | trans | -72.4 | 120.1 | 179.1 | -174.9 | -91.7 | 0 | 0 | 0 | 110.7 | L128 S250 L251 N256 V259 V261 | L128-Y254 HydrophobicContact CD1-CD1 4.41Å; L128-Y254 HydrophobicContact CD1-CD2 4.15Å; L128-Y254 HydrophobicContact CD1-CE1 4.21Å; L128-Y254 HydrophobicContact CD1-CE2 3.94Å; L128-Y254 HydrophobicContact CD1-CG 4.38Å; S250-Y254 PolarHBondContact O-N 3.02Å; L251-Y254 WeakPolarHBondContact O-CB 3.02Å; L251-Y254 PolarHBondContact O-N 2.99Å; Y254-N256 HydrophobicContact CE1-CB 3.86Å; Y254-V259 HydrophobicContact CE1-CG2 4.31Å; Y254-V261 HydrophobicContact CD1-CB 4.44Å; Y254-V261 HydrophobicContact CD1-CG2 3.72Å; Y254-V261 HydrophobicContact CE1-CG2 3.88Å | ||
| 255 | N | 92.8 | Very high | 95.3 | Very high | 131 Ų | 131 | 49.8 Ų | 49.8 | 70% | 0.701 | 26% | 0.258 | S | S | * | . | trans | -130.2 | 127.3 | 179.1 | -168.9 | 22.1 | 0 | 0 | 0 | 110.1 | R111 S253 | R111-N255 PolarHBondContact NH2-OD1 3.39Å; S253-N255 PolarHBondContact O-N 3.06Å | ||
| 256 | N | 93.8 | Very high | 95.1 | Very high | 32 Ų | 32 | 45.9 Ų | 45.9 | 17% | 0.171 | 25% | 0.247 | C | C | . | . | trans | -134.7 | 148.1 | 178.2 | -174 | -71.5 | 0 | 0 | 0 | 109.3 | R111 Y254 L258 V259 | R111-N256 VanDerWaalsContact CZ-O 3.25Å; R111-N256 PolarHBondContact NE-O 3.08Å; R111-N256 PolarHBondContact NH2-O 3.33Å; Y254-N256 HydrophobicContact CE1-CB 3.86Å; N256-L258 PolarHBondContact OD1-N 3.3Å; N256-V259 HydrophobicContact CB-CG2 3.63Å; N256-V259 PolarHBondContact OD1-N 2.7Å | ||
| 257 | S | 93.3 | Very high | 94.8 | Very high | 106 Ų | 106 | 46.6 Ų | 46.6 | 74% | 0.741 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -73.9 | -23.9 | -176.3 | 51.9 | 0 | 0 | 0 | 0 | 114.5 | R111 | R111-S257 WeakPolarHBondContact CD-O 3.48Š|
| 258 | L | 95.2 | Very high | 94.5 | Very high | 59 Ų | 59 | 46.6 Ų | 46.6 | 31% | 0.309 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -105.7 | -35.2 | -175.7 | -67.7 | 176.1 | 0 | 0 | 0 | 112.9 | R111 E120 I124 N256 | R111-L258 PolarHBondContact N-O 2.72Å; E120-L258 HydrophobicContact CB-CD1 4.34Å; I124-L258 HydrophobicContact CD1-CB 4.09Å; I124-L258 HydrophobicContact CD1-CD1 3.96Å; N256-L258 PolarHBondContact OD1-N 3.3Å |
| 259 | V | 96 | Very high | 94.2 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.012 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 154 | -175.8 | -56 | 0 | 0 | 0 | 0 | 112.4 | V108 T109 R111 I121 I124 Y254 N256 V261 | V108-V259 HydrophobicContact CG1-CB 3.92Å; V108-V259 HydrophobicContact CG1-CG1 4.06Å; T109-V259 WeakPolarHBondContact O-CA 3.15Å; R111-V259 PolarHBondContact NE-O 3.03Å; R111-V259 VanDerWaalsContact NE-O 3.16Å; I121-V259 HydrophobicContact CB-CG1 4.31Å; I121-V259 HydrophobicContact CD1-CG1 4.43Å; I121-V259 HydrophobicContact CG1-CG1 4.03Å; I121-V259 HydrophobicContact CG2-CG1 3.65Å; I124-V259 HydrophobicContact CD1-CG1 4.36Å; I124-V259 HydrophobicContact CG2-CG1 4.13Å; I124-V259 HydrophobicContact CG2-CG2 3.63Å; Y254-V259 HydrophobicContact CE1-CG2 4.31Å; N256-V259 HydrophobicContact CB-CG2 3.63Å; N256-V259 PolarHBondContact OD1-N 2.7Å; V259-V261 HydrophobicContact CG2-CG2 4.49Å |
| 260 | E | 95.2 | Very high | 93.8 | Very high | 68 Ų | 68 | 39.7 Ų | 39.7 | 32% | 0.318 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 133 | 171.6 | -176.9 | 161.5 | -151.2 | 0 | 0 | 108.6 | T109 R111 K566 | T109-E260 PolarHBondContact N-O 3.42Å; T109-E260 PolarHBondContact O-N 3.22Å; R111-E260 HydrophobicContact CG-CB 4Å; E260-K566 VanDerWaalsContact CD-CE 3.47Å; E260-K566 WeakPolarHBondContact OE1-CE 3.48Å; E260-K566 IonicContact OE1-NZ 3.49Å; E260-K566 PolarHBondContact OE1-NZ 2.93Å |
| 261 | V | 96.1 | Very high | 93.4 | Very high | 19 Ų | 19 | 39.8 Ų | 39.8 | 12% | 0.115 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 132.3 | -173.4 | -178.9 | 0 | 0 | 0 | 0 | 108.7 | V106 L128 L251 Y254 V259 | V106-V261 HydrophobicContact CG1-CG1 3.32Å; L128-V261 HydrophobicContact CD2-CG2 3.92Å; L251-V261 HydrophobicContact CD2-CG1 4.45Å; Y254-V261 HydrophobicContact CD1-CB 4.44Å; Y254-V261 HydrophobicContact CD1-CG2 3.72Å; Y254-V261 HydrophobicContact CE1-CG2 3.88Å; V259-V261 HydrophobicContact CG2-CG2 4.49Å |
| 262 | S | 95.7 | Very high | 93.1 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.014 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 102.3 | 175.1 | -56.1 | 0 | 0 | 0 | 0 | 108.6 | I107 K566 F567 | I107-S262 PolarHBondContact N-O 3Å; I107-S262 PolarHBondContact O-N 3.11Å; S262-K566 WeakPolarHBondContact OG-CE 3.11Å; S262-F567 WeakPolarHBondContact O-CD2 3.35Å |
| 263 | P | 96.5 | Very high | 92.7 | Very high | 4 Ų | 4 | 35.6 Ų | 35.6 | 3% | 0.026 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 150.4 | 179 | 33.1 | -34 | 0 | 0 | 0 | 112 | F247 L251 L252 Y563 | F247-P263 HydrophobicContact CE1-CB 4Å; F247-P263 HydrophobicContact CZ-CB 4.44Å; L251-P263 HydrophobicContact CB-CB 3.91Å; L251-P263 HydrophobicContact CB-CG 4.04Å; L251-P263 HydrophobicContact CD1-CB 3.8Å; L252-P263 HydrophobicContact CD2-CG 3.97Å; L252-P263 HydrophobicContact CG-CG 4.44Å; P263-Y563 HydrophobicContact CG-CD2 4.14Å; P263-Y563 HydrophobicContact CG-CE2 4.47Å; P263-Y563 WeakPolarHBondContact O-CD2 3.32Å; P263-Y563 WeakPolarHBondContact O-CE2 3.39Å |
| 264 | F | 95.1 | Very high | 92.3 | Very high | 15 Ų | 15 | 32.8 Ų | 32.8 | 7% | 0.066 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 144 | 170.2 | -176.3 | -92.9 | 0 | 0 | 0 | 109.1 | C104 Q105 T268 F567 Y568 | C104-F264 CarbonylContact C-O 3.57Å; C104-F264 WeakPolarHBondContact CA-O 3.35Å; Q105-F264 HydrophobicContact CB-CB 4.48Å; Q105-F264 PolarHBondContact N-O 2.79Å; Q105-F264 PolarHBondContact O-N 2.8Å; Q105-F264 VanDerWaalsContact O-O 3.1Å; F264-T268 HydrophobicContact CD2-CG2 3.78Å; F264-T268 HydrophobicContact CE2-CG2 3.96Å; F264-F567 HydrophobicContact CB-CB 4.38Å; F264-F567 HydrophobicContact CB-CD1 3.64Å; F264-F567 HydrophobicContact CB-CD2 3.52Å; F264-F567 HydrophobicContact CB-CE1 3.68Å; F264-F567 HydrophobicContact CB-CE2 3.53Å; F264-F567 HydrophobicContact CB-CG 3.57Å; F264-F567 HydrophobicContact CB-CZ 3.64Å; F264-F567 HydrophobicContact CD1-CE1 4.11Å; F264-F567 HydrophobicContact CD1-CZ 4.42Å; F264-F567 AromaticContact CD2-CD1 3.69Å; F264-F567 HydrophobicContact CD2-CD1 3.69Å; F264-F567 HydrophobicContact CD2-CE1 4.09Å; F264-F567 HydrophobicContact CD2-CG 4.17Å; F264-F567 HydrophobicContact CE2-CD1 4.48Å; F264-F567 AromaticContact CG-CD1 3.72Å; F264-F567 HydrophobicContact CG-CD1 3.72Å; F264-F567 HydrophobicContact CG-CD2 4.48Å; F264-F567 AromaticContact CG-CE1 3.71Å; F264-F567 HydrophobicContact CG-CE1 3.71Å; F264-F567 HydrophobicContact CG-CE2 4.45Å; F264-F567 HydrophobicContact CG-CG 4.14Å; F264-F567 HydrophobicContact CG-CZ 4.11Å; F264-Y568 HydrophobicContact CE2-CE2 4.04Å; F264-Y568 AromaticContact CE2-CZ 4Å |
| 265 | H | 94.7 | Very high | 92 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 170.5 | 173.9 | 63.4 | 87 | 0 | 0 | 0 | 110.9 | Q103 C104 E244 E248 Q267 T268 Y563 | Q103-H265 CarbonylContact O-C 3.54Å; Q103-H265 WeakPolarHBondContact O-CA 3.25Å; C104-H265 HydrophobicContact CB-CB 4.43Å; E244-H265 HydrophobicContact CB-CB 4.32Å; E244-H265 HydrophobicContact CG-CB 4.23Å; E248-H265 IonicContact OE2-NE2 3.02Å; E248-H265 PolarHBondContact OE2-NE2 2.71Å; H265-Q267 PolarHBondContact ND1-N 3Å; H265-Q267 PolarHBondContact O-N 3.15Å; H265-Q267 VanDerWaalsContact O-N 3.09Å; H265-T268 PolarHBondContact CD2-OG1 3.15Å; H265-T268 PolarHBondContact CE1-N 3.48Å; H265-T268 PolarHBondContact N-OG1 3.34Å; H265-T268 PolarHBondContact NE2-OG1 3.04Å; H265-T268 VanDerWaalsContact NE2-OG1 3.14Å; H265-T268 VanDerWaalsContact O-CB 3.23Å; H265-T268 WeakPolarHBondContact O-CB 3.46Å; H265-T268 PolarHBondContact O-N 3.22Å; H265-T268 PolarHBondContact O-OG1 3.34Å; H265-T268 VanDerWaalsContact O-OG1 3.1Å; H265-Y563 PolarHBondContact NE2-OH 2.96Å |
| 266 | S | 92 | Very high | 91.6 | Very high | 29 Ų | 29 | 27.3 Ų | 27.3 | 20% | 0.203 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -30.1 | -170.8 | 67.9 | 0 | 0 | 0 | 0 | 114.8 | N100 R102 Q103 E244 | N100-S266 WeakPolarHBondContact O-CB 3.09Å; R102-S266 WeakPolarHBondContact CA-OG 3.37Å; R102-S266 VanDerWaalsContact N-CB 3.34Å; R102-S266 PolarHBondContact N-OG 3.01Å; Q103-S266 PolarHBondContact O-N 3.17Å; E244-S266 VanDerWaalsContact CD-OG 3.29Å; E244-S266 WeakPolarHBondContact OE1-CB 3.31Å; E244-S266 PolarHBondContact OE1-N 3.26Å; E244-S266 VanDerWaalsContact OE1-N 3.16Å; E244-S266 PolarHBondContact OE1-OG 2.94Å; E244-S266 PolarHBondContact OE2-OG 2.9Å |
| 267 | Q | 90.6 | Very high | 91 | Very high | 30 Ų | 30 | 27.3 Ų | 27.3 | 14% | 0.14 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -7.3 | 177.5 | -62.7 | 172.6 | 65.1 | 0 | 0 | 113.6 | G241 E244 H265 L269 D270 T271 | G241-Q267 PolarHBondContact O-NE2 2.56Å; E244-Q267 PolarHBondContact OE2-NE2 3.09Å; H265-Q267 PolarHBondContact ND1-N 3Å; H265-Q267 PolarHBondContact O-N 3.15Å; H265-Q267 VanDerWaalsContact O-N 3.09Å; Q267-L269 PolarHBondContact O-N 2.86Å; Q267-D270 PolarHBondContact O-N 2.95Å; Q267-T271 HydrophobicContact CB-CG2 4.09Å; Q267-T271 WeakPolarHBondContact O-CB 3.24Å; Q267-T271 WeakPolarHBondContact O-CG2 2.94Å; Q267-T271 PolarHBondContact O-N 3.23Å; Q267-T271 PolarHBondContact O-OG1 3.16Å |
| 268 | T | 91.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.8 | -48.1 | -170.4 | -68.2 | 0 | 0 | 0 | 0 | 112.5 | F264 H265 D270 T271 E272 Y563 A564 | F264-T268 HydrophobicContact CD2-CG2 3.78Å; F264-T268 HydrophobicContact CE2-CG2 3.96Å; H265-T268 PolarHBondContact CD2-OG1 3.15Å; H265-T268 PolarHBondContact CE1-N 3.48Å; H265-T268 PolarHBondContact N-OG1 3.34Å; H265-T268 PolarHBondContact NE2-OG1 3.04Å; H265-T268 VanDerWaalsContact NE2-OG1 3.14Å; H265-T268 VanDerWaalsContact O-CB 3.23Å; H265-T268 WeakPolarHBondContact O-CB 3.46Å; H265-T268 PolarHBondContact O-N 3.22Å; H265-T268 PolarHBondContact O-OG1 3.34Å; H265-T268 VanDerWaalsContact O-OG1 3.1Å; T268-D270 VanDerWaalsContact C-N 3.34Å; T268-D270 PolarHBondContact O-N 2.66Å; T268-T271 WeakPolarHBondContact CA-OG1 3.37Å; T268-T271 PolarHBondContact O-N 2.96Å; T268-T271 PolarHBondContact O-OG1 3.17Å; T268-T271 VanDerWaalsContact O-OG1 3.06Å; T268-E272 HydrophobicContact CG2-CG 4.2Å; T268-E272 VanDerWaalsContact O-CB 3.28Å; T268-E272 WeakPolarHBondContact O-CB 3.39Å; T268-E272 WeakPolarHBondContact O-CG 3.42Å; T268-E272 PolarHBondContact O-N 3Å; T268-Y563 HydrophobicContact CG2-CE2 3.62Å; T268-Y563 WeakPolarHBondContact CG2-OH 3.27Å; T268-Y563 PolarHBondContact OG1-OH 3.17Å; T268-A564 HydrophobicContact CG2-CB 3.33Å |
| 269 | L | 88.1 | Confident | 90 | Very high | 16 Ų | 16 | 28.9 Ų | 28.9 | 8% | 0.084 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.4 | -44.6 | -178.9 | -176.4 | 57.9 | 0 | 0 | 0 | 111.1 | A63 Q267 L273 L557 L558 | A63-L269 HydrophobicContact CB-CD2 3.54Å; A63-L269 HydrophobicContact CB-CG 3.75Å; Q267-L269 PolarHBondContact O-N 2.86Å; L269-L273 WeakPolarHBondContact O-CB 3.49Å; L269-L273 PolarHBondContact O-N 3.02Å; L269-L557 HydrophobicContact CD1-CB 4.37Å; L269-L558 HydrophobicContact CD1-CD2 3.63Å; L269-L558 HydrophobicContact CD1-CG 4.29Å |
| 270 | D | 88 | Confident | 89.5 | Confident | 43 Ų | 43 | 29 Ų | 29 | 23% | 0.23 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.2 | -41.3 | -179.9 | -62.7 | -6.6 | 0 | 0 | 0 | 112.1 | T61 A63 Q267 T268 S274 | T61-D270 VanDerWaalsContact O-OD1 3.09Å; A63-D270 PolarHBondContact N-OD1 3.29Å; Q267-D270 PolarHBondContact O-N 2.95Å; T268-D270 VanDerWaalsContact C-N 3.34Å; T268-D270 PolarHBondContact O-N 2.66Å; D270-S274 PolarHBondContact O-N 3.32Å |
| 271 | T | 88.9 | Confident | 89 | Confident | 34 Ų | 34 | 27.7 Ų | 27.7 | 21% | 0.209 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -69.3 | -43.7 | 179.4 | 54.5 | 0 | 0 | 0 | 0 | 111.4 | Q267 T268 S274 K275 | Q267-T271 HydrophobicContact CB-CG2 4.09Å; Q267-T271 WeakPolarHBondContact O-CB 3.24Å; Q267-T271 WeakPolarHBondContact O-CG2 2.94Å; Q267-T271 PolarHBondContact O-N 3.23Å; Q267-T271 PolarHBondContact O-OG1 3.16Å; T268-T271 WeakPolarHBondContact CA-OG1 3.37Å; T268-T271 PolarHBondContact O-N 2.96Å; T268-T271 PolarHBondContact O-OG1 3.17Å; T268-T271 VanDerWaalsContact O-OG1 3.06Å; T271-S274 PolarHBondContact O-N 3.41Å; T271-S274 PolarHBondContact O-OG 2.8Å; T271-K275 PolarHBondContact O-N 2.76Å |
| 272 | E | 88.3 | Confident | 88.5 | Confident | 3 Ų | 3 | 31.3 Ų | 31.3 | 1% | 0.014 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.3 | -37.4 | 177.2 | -66.9 | -60.3 | 125 | 0 | 0 | 111.8 | T268 S274 K275 L558 S562 Y563 A564 | T268-E272 HydrophobicContact CG2-CG 4.2Å; T268-E272 VanDerWaalsContact O-CB 3.28Å; T268-E272 WeakPolarHBondContact O-CB 3.39Å; T268-E272 WeakPolarHBondContact O-CG 3.42Å; T268-E272 PolarHBondContact O-N 3Å; E272-S274 VanDerWaalsContact C-N 3.33Å; E272-S274 PolarHBondContact O-N 3.28Å; E272-K275 VanDerWaalsContact CD-NZ 3.34Å; E272-K275 WeakPolarHBondContact O-CB 3.3Å; E272-K275 PolarHBondContact O-N 3.05Å; E272-K275 VanDerWaalsContact OE1-CE 3.24Å; E272-K275 WeakPolarHBondContact OE1-CE 3.25Å; E272-K275 IonicContact OE1-NZ 3.28Å; E272-K275 PolarHBondContact OE1-NZ 3.31Å; E272-K275 IonicContact OE2-NZ 3.08Å; E272-K275 PolarHBondContact OE2-NZ 3.16Å; E272-L558 HydrophobicContact CB-CD2 3.58Å; E272-L558 HydrophobicContact CG-CD2 4.29Å; E272-S562 VanDerWaalsContact CG-OG 3.25Å; E272-S562 WeakPolarHBondContact CG-OG 3.32Å; E272-S562 WeakPolarHBondContact OE2-CB 2.98Å; E272-S562 PolarHBondContact OE2-OG 3.13Å; E272-Y563 HydrophobicContact CG-CE1 4.31Å; E272-Y563 WeakPolarHBondContact OE1-CE1 3.36Å; E272-A564 HydrophobicContact CG-CB 4.22Å |
| 273 | L | 87 | Confident | 88.2 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61 | -43 | 172.2 | -178.7 | 62.5 | 0 | 0 | 0 | 111 | A63 Y67 L269 K275 N276 E349 | A63-L273 HydrophobicContact CB-CD2 4.36Å; Y67-L273 HydrophobicContact CE2-CD2 3.8Å; L269-L273 WeakPolarHBondContact O-CB 3.49Å; L269-L273 PolarHBondContact O-N 3.02Å; L273-K275 PolarHBondContact O-N 3.27Å; L273-N276 VanDerWaalsContact O-CB 3.25Å; L273-N276 WeakPolarHBondContact O-CB 3.49Å; L273-N276 PolarHBondContact O-N 2.98Å; L273-E349 HydrophobicContact CD1-CB 4.49Å; L273-E349 HydrophobicContact CD1-CG 4.4Å; L273-E349 WeakPolarHBondContact CD2-OE2 3.19Å; L273-E349 HydrophobicContact CG-CG 3.93Å |
| 274 | S | 85.8 | Confident | 87.8 | Confident | 33 Ų | 33 | 35.9 Ų | 35.9 | 23% | 0.231 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.2 | -25.4 | 178.5 | 83.2 | 0 | 0 | 0 | 0 | 113.7 | D270 T271 E272 N276 A277 Q278 | D270-S274 PolarHBondContact O-N 3.32Å; T271-S274 PolarHBondContact O-N 3.41Å; T271-S274 PolarHBondContact O-OG 2.8Å; E272-S274 VanDerWaalsContact C-N 3.33Å; E272-S274 PolarHBondContact O-N 3.28Å; S274-N276 VanDerWaalsContact C-N 3.27Å; S274-N276 PolarHBondContact O-N 3.37Å; S274-A277 PolarHBondContact O-N 2.82Å; S274-Q278 PolarHBondContact O-N 2.82Å |
| 275 | K | 86.9 | Confident | 87.6 | Confident | 79 Ų | 79 | 39.8 Ų | 39.8 | 34% | 0.343 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.8 | -31.3 | 174.5 | -67.4 | 178.5 | 178.9 | 171.9 | 0 | 111.9 | T271 E272 L273 A277 Q278 N279 V559 | T271-K275 PolarHBondContact O-N 2.76Å; E272-K275 VanDerWaalsContact CD-NZ 3.34Å; E272-K275 WeakPolarHBondContact O-CB 3.3Å; E272-K275 PolarHBondContact O-N 3.05Å; E272-K275 VanDerWaalsContact OE1-CE 3.24Å; E272-K275 WeakPolarHBondContact OE1-CE 3.25Å; E272-K275 IonicContact OE1-NZ 3.28Å; E272-K275 PolarHBondContact OE1-NZ 3.31Å; E272-K275 IonicContact OE2-NZ 3.08Å; E272-K275 PolarHBondContact OE2-NZ 3.16Å; L273-K275 PolarHBondContact O-N 3.27Å; K275-A277 VanDerWaalsContact C-N 3.31Å; K275-A277 PolarHBondContact O-N 2.98Å; K275-Q278 PolarHBondContact O-N 2.83Å; K275-N279 WeakPolarHBondContact O-CB 3.44Å; K275-N279 VanDerWaalsContact O-CG 3.28Å; K275-N279 PolarHBondContact O-N 2.81Å; K275-N279 PolarHBondContact O-ND2 3.31Å; K275-V559 HydrophobicContact CB-CG2 4.26Å |
| 276 | N | 84.9 | Confident | 87.4 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.4 | -45.8 | 174 | -75 | -40.9 | 0 | 0 | 0 | 110.9 | L273 S274 Q278 N279 L280 L557 V559 S854 M856 F857 | L273-N276 VanDerWaalsContact O-CB 3.25Å; L273-N276 WeakPolarHBondContact O-CB 3.49Å; L273-N276 PolarHBondContact O-N 2.98Å; S274-N276 VanDerWaalsContact C-N 3.27Å; S274-N276 PolarHBondContact O-N 3.37Å; N276-Q278 PolarHBondContact O-N 2.8Å; N276-N279 PolarHBondContact O-N 3.3Å; N276-L280 WeakPolarHBondContact O-CB 3.42Å; N276-L280 PolarHBondContact O-N 3.19Å; N276-L280 VanDerWaalsContact O-N 3.14Å; N276-L557 PolarHBondContact ND2-O 2.93Å; N276-V559 VanDerWaalsContact OD1-CG2 3.23Å; N276-V559 WeakPolarHBondContact OD1-CG2 3.19Å; N276-S854 VanDerWaalsContact OD1-CB 3.3Å; N276-S854 WeakPolarHBondContact OD1-CB 3.31Å; N276-S854 PolarHBondContact OD1-OG 3.27Å; N276-M856 HydrophobicContact CB-CE 3.96Å; N276-F857 HydrophobicContact CB-CE2 3.71Å; N276-F857 HydrophobicContact CB-CZ 3.84Å; N276-F857 WeakPolarHBondContact O-CZ 3.13Å |
| 277 | A | 81.8 | Confident | 87.4 | Confident | 31 Ų | 31 | 40.3 Ų | 40.3 | 26% | 0.256 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.4 | -37.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S274 K275 L280 G281 E349 | S274-A277 PolarHBondContact O-N 2.82Å; K275-A277 VanDerWaalsContact C-N 3.31Å; K275-A277 PolarHBondContact O-N 2.98Å; A277-L280 WeakPolarHBondContact O-CB 3.35Å; A277-L280 PolarHBondContact O-N 3.45Å; A277-G281 PolarHBondContact O-N 2.99Å; A277-E349 HydrophobicContact CB-CB 4.42Å; A277-E349 HydrophobicContact CB-CG 4.08Å |
| 278 | Q | 82.9 | Confident | 87.5 | Confident | 134 Ų | 134 | 41.2 Ų | 41.2 | 63% | 0.626 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -66.5 | -41.5 | 176.6 | -65.2 | 175.9 | 29.2 | 0 | 0 | 111.9 | S274 K275 N276 L280 G281 P282 | S274-Q278 PolarHBondContact O-N 2.82Å; K275-Q278 PolarHBondContact O-N 2.83Å; N276-Q278 PolarHBondContact O-N 2.8Å; Q278-L280 PolarHBondContact O-N 3.27Å; Q278-G281 PolarHBondContact O-N 3.34Å; Q278-P282 VanDerWaalsContact O-CD 3.26Å; Q278-P282 WeakPolarHBondContact O-CD 3.06Å |
| 279 | N | 84.5 | Confident | 87.6 | Confident | 65 Ų | 65 | 45.8 Ų | 45.8 | 35% | 0.348 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65 | -25.7 | 175.9 | -72.5 | -20.5 | 0 | 0 | 0 | 112.5 | K275 N276 R283 | K275-N279 WeakPolarHBondContact O-CB 3.44Å; K275-N279 VanDerWaalsContact O-CG 3.28Å; K275-N279 PolarHBondContact O-N 2.81Å; K275-N279 PolarHBondContact O-ND2 3.31Å; N276-N279 PolarHBondContact O-N 3.3Å; N279-R283 PolarHBondContact O-NH1 3.26Å |
| 280 | L | 85.7 | Confident | 87.9 | Confident | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -79.5 | -32.3 | 179.6 | -169 | 62.8 | 0 | 0 | 0 | 113.1 | N276 A277 Q278 R283 V284 A352 V353 F356 L849 F857 | N276-L280 WeakPolarHBondContact O-CB 3.42Å; N276-L280 PolarHBondContact O-N 3.19Å; N276-L280 VanDerWaalsContact O-N 3.14Å; A277-L280 WeakPolarHBondContact O-CB 3.35Å; A277-L280 PolarHBondContact O-N 3.45Å; Q278-L280 PolarHBondContact O-N 3.27Å; L280-R283 WeakPolarHBondContact O-CB 3.44Å; L280-R283 PolarHBondContact O-N 3.01Å; L280-V284 PolarHBondContact O-N 3.16Å; L280-A352 VanDerWaalsContact CD2-C 3.4Å; L280-A352 HydrophobicContact CD2-CB 3.7Å; L280-A352 WeakPolarHBondContact CD2-O 3.4Å; L280-V353 HydrophobicContact CD2-CG2 4.05Å; L280-F356 HydrophobicContact CD1-CD2 4.26Å; L280-F356 HydrophobicContact CD1-CE1 4.44Å; L280-F356 HydrophobicContact CD1-CE2 3.42Å; L280-F356 VanDerWaalsContact CD1-CE2 3.42Å; L280-F356 HydrophobicContact CD1-CZ 3.51Å; L280-F356 HydrophobicContact CD2-CE2 3.93Å; L280-F356 HydrophobicContact CG-CE2 3.56Å; L280-F356 HydrophobicContact CG-CZ 3.91Å; L280-L849 HydrophobicContact CD1-CD2 3.31Å; L280-F857 HydrophobicContact CB-CZ 4.22Å; L280-F857 HydrophobicContact CD1-CE1 4.21Å; L280-F857 HydrophobicContact CD1-CZ 4.41Å; L280-F857 HydrophobicContact CD2-CE1 3.9Å; L280-F857 HydrophobicContact CD2-CZ 4.15Å |
| 281 | G | 84 | Confident | 88.2 | Confident | 42 Ų | 42 | 45.8 Ų | 45.8 | 43% | 0.433 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -50.2 | -56.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | A277 Q278 R283 V284 | A277-G281 PolarHBondContact O-N 2.99Å; Q278-G281 PolarHBondContact O-N 3.34Å; G281-R283 PolarHBondContact O-N 2.95Å; G281-V284 WeakPolarHBondContact O-CB 3.38Å; G281-V284 PolarHBondContact O-N 2.84Å |
| 282 | P | 85.2 | Confident | 88.5 | Confident | 94 Ų | 94 | 45.8 Ų | 45.8 | 61% | 0.61 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -61.3 | -27.4 | 179.1 | -24.6 | 34.6 | 0 | 0 | 0 | 114.1 | Q278 V284 T285 | Q278-P282 VanDerWaalsContact O-CD 3.26Å; Q278-P282 WeakPolarHBondContact O-CD 3.06Å; P282-V284 VanDerWaalsContact C-N 3.32Å; P282-V284 PolarHBondContact O-N 3.48Å; P282-T285 PolarHBondContact O-N 2.83Å |
| 283 | R | 89.1 | Confident | 88.7 | Confident | 60 Ų | 60 | 47.5 Ų | 47.5 | 23% | 0.226 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -74.7 | -21.8 | -178 | -71.9 | 174.6 | 169.6 | 87.6 | -3.4 | 112.6 | N279 L280 G281 T285 A286 C287 F356 V848 D851 | N279-R283 PolarHBondContact O-NH1 3.26Å; L280-R283 WeakPolarHBondContact O-CB 3.44Å; L280-R283 PolarHBondContact O-N 3.01Å; G281-R283 PolarHBondContact O-N 2.95Å; R283-T285 VanDerWaalsContact C-N 3.28Å; R283-T285 PolarHBondContact O-N 2.99Å; R283-A286 WeakPolarHBondContact O-CB 3.45Å; R283-A286 PolarHBondContact O-N 3.49Å; R283-A286 VanDerWaalsContact O-N 3.15Å; R283-C287 PolarHBondContact O-N 2.72Å; R283-F356 HydrophobicContact CB-CE1 4.21Å; R283-F356 HydrophobicContact CB-CZ 4.13Å; R283-F356 WeakPolarHBondContact O-CE1 3.48Å; R283-V848 HydrophobicContact CB-CG1 3.97Å; R283-V848 HydrophobicContact CG-CG1 4.29Å; R283-D851 IonicContact NH2-OD2 2.73Å; R283-D851 PolarHBondContact NH2-OD2 3.07Å |
| 284 | V | 89 | Confident | 89.1 | Confident | 43 Ų | 43 | 49.4 Ų | 49.4 | 26% | 0.261 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -57.5 | -45.9 | 172.7 | 177.7 | 0 | 0 | 0 | 0 | 109.8 | L280 G281 P282 A286 C287 F288 F356 | L280-V284 PolarHBondContact O-N 3.16Å; G281-V284 WeakPolarHBondContact O-CB 3.38Å; G281-V284 PolarHBondContact O-N 2.84Å; P282-V284 VanDerWaalsContact C-N 3.32Å; P282-V284 PolarHBondContact O-N 3.48Å; V284-A286 VanDerWaalsContact C-N 3.34Å; V284-A286 PolarHBondContact O-N 2.99Å; V284-C287 VanDerWaalsContact O-CB 3.29Å; V284-C287 WeakPolarHBondContact O-CB 3.41Å; V284-C287 PolarHBondContact O-N 3.25Å; V284-C287 VanDerWaalsContact O-N 3.16Å; V284-F288 HydrophobicContact CG1-CD2 3.94Å; V284-F288 HydrophobicContact CG1-CE2 3.77Å; V284-F288 WeakPolarHBondContact O-CD2 3.49Å; V284-F288 PolarHBondContact O-N 3.45Å; V284-F356 HydrophobicContact CB-CZ 4.08Å; V284-F356 HydrophobicContact CG2-CE1 4.38Å; V284-F356 HydrophobicContact CG2-CE2 3.56Å; V284-F356 HydrophobicContact CG2-CZ 3.41Å; V284-F356 VanDerWaalsContact CG2-CZ 3.41Å |
| 285 | T | 90 | Very high | 89.4 | Confident | 96 Ų | 96 | 47.8 Ų | 47.8 | 59% | 0.589 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -60.8 | -42.5 | 176.8 | -53.6 | 0 | 0 | 0 | 0 | 111.9 | P282 R283 C287 F288 V289 | P282-T285 PolarHBondContact O-N 2.83Å; R283-T285 VanDerWaalsContact C-N 3.28Å; R283-T285 PolarHBondContact O-N 2.99Å; T285-C287 VanDerWaalsContact C-N 3.32Å; T285-C287 PolarHBondContact O-N 2.86Å; T285-F288 PolarHBondContact O-N 2.94Å; T285-V289 WeakPolarHBondContact O-CG2 3.3Å; T285-V289 PolarHBondContact O-N 2.83Å |
| 286 | A | 91.1 | Very high | 89.6 | Confident | 38 Ų | 38 | 47.5 Ų | 47.5 | 31% | 0.314 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.7 | -40.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R283 V284 V289 V290 V848 | R283-A286 WeakPolarHBondContact O-CB 3.45Å; R283-A286 PolarHBondContact O-N 3.49Å; R283-A286 VanDerWaalsContact O-N 3.15Å; V284-A286 VanDerWaalsContact C-N 3.34Å; V284-A286 PolarHBondContact O-N 2.99Å; A286-V289 PolarHBondContact O-N 3.14Å; A286-V290 WeakPolarHBondContact O-CB 3.41Å; A286-V290 VanDerWaalsContact O-CG2 3.3Å; A286-V290 WeakPolarHBondContact O-CG2 3.41Å; A286-V290 PolarHBondContact O-N 3.15Å; A286-V848 HydrophobicContact CB-CG1 3.9Å |
| 287 | C | 92.2 | Very high | 89.8 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.02 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.2 | -49.6 | 173.9 | -174.4 | 0 | 0 | 0 | 0 | 111.5 | R283 V284 T285 V289 V290 L291 F356 | R283-C287 PolarHBondContact O-N 2.72Å; V284-C287 VanDerWaalsContact O-CB 3.29Å; V284-C287 WeakPolarHBondContact O-CB 3.41Å; V284-C287 PolarHBondContact O-N 3.25Å; V284-C287 VanDerWaalsContact O-N 3.16Å; T285-C287 VanDerWaalsContact C-N 3.32Å; T285-C287 PolarHBondContact O-N 2.86Å; C287-V289 PolarHBondContact O-N 3.28Å; C287-V290 PolarHBondContact O-N 2.88Å; C287-L291 VanDerWaalsContact O-CB 3.31Å; C287-L291 WeakPolarHBondContact O-CB 3.23Å; C287-L291 VanDerWaalsContact O-CG 3.24Å; C287-L291 WeakPolarHBondContact O-CG 3.32Å; C287-L291 PolarHBondContact O-N 2.95Å; C287-L291 VanDerWaalsContact SG-CD1 3.57Å; C287-F356 HydrophobicContact CB-CD1 3.56Å; C287-F356 HydrophobicContact CB-CE1 3.66Å |
| 288 | F | 92.7 | Very high | 90.1 | Very high | 48 Ų | 48 | 50.4 Ų | 50.4 | 21% | 0.211 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.1 | -45.9 | 175.3 | -85.3 | -84.7 | 0 | 0 | 0 | 112.4 | V284 T285 I292 V326 I359 | V284-F288 HydrophobicContact CG1-CD2 3.94Å; V284-F288 HydrophobicContact CG1-CE2 3.77Å; V284-F288 WeakPolarHBondContact O-CD2 3.49Å; V284-F288 PolarHBondContact O-N 3.45Å; T285-F288 PolarHBondContact O-N 2.94Å; F288-I292 HydrophobicContact CB-CD1 4.5Å; F288-I292 WeakPolarHBondContact O-CB 3.27Å; F288-I292 WeakPolarHBondContact O-CD1 3.47Å; F288-I292 WeakPolarHBondContact O-CG1 3.3Å; F288-I292 PolarHBondContact O-N 3.49Å; F288-V326 HydrophobicContact CD1-CG1 3.6Å; F288-V326 HydrophobicContact CE1-CG1 3.88Å; F288-I359 HydrophobicContact CE1-CD1 4.15Å; F288-I359 HydrophobicContact CE2-CD1 3.7Å; F288-I359 HydrophobicContact CZ-CD1 3.43Å; F288-I359 VanDerWaalsContact CZ-CD1 3.43Å |
| 289 | V | 93.5 | Very high | 90.3 | Very high | 97 Ų | 97 | 44.6 Ų | 44.6 | 59% | 0.588 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -63.2 | -47.1 | -179.6 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | T285 A286 C287 G293 | T285-V289 WeakPolarHBondContact O-CG2 3.3Å; T285-V289 PolarHBondContact O-N 2.83Å; A286-V289 PolarHBondContact O-N 3.14Å; C287-V289 PolarHBondContact O-N 3.28Å; V289-G293 PolarHBondContact O-N 3.33Å |
| 290 | V | 94 | Very high | 90.3 | Very high | 58 Ų | 58 | 44.4 Ų | 44.4 | 35% | 0.352 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.8 | -47.5 | 179.6 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | A286 C287 G293 F294 L844 | A286-V290 WeakPolarHBondContact O-CB 3.41Å; A286-V290 VanDerWaalsContact O-CG2 3.3Å; A286-V290 WeakPolarHBondContact O-CG2 3.41Å; A286-V290 PolarHBondContact O-N 3.15Å; C287-V290 PolarHBondContact O-N 2.88Å; V290-G293 PolarHBondContact O-N 3.23Å; V290-F294 VanDerWaalsContact O-CB 3.31Å; V290-F294 WeakPolarHBondContact O-CB 3.32Å; V290-F294 PolarHBondContact O-N 2.81Å; V290-L844 HydrophobicContact CG1-CB 4.04Å; V290-L844 HydrophobicContact CG1-CD2 4.5Å |
| 291 | L | 94.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.3 | -42.8 | -180 | -68.8 | 178.6 | 0 | 0 | 0 | 112 | C287 F294 A295 V326 I359 S360 L363 S841 | C287-L291 VanDerWaalsContact O-CB 3.31Å; C287-L291 WeakPolarHBondContact O-CB 3.23Å; C287-L291 VanDerWaalsContact O-CG 3.24Å; C287-L291 WeakPolarHBondContact O-CG 3.32Å; C287-L291 PolarHBondContact O-N 2.95Å; C287-L291 VanDerWaalsContact SG-CD1 3.57Å; L291-F294 PolarHBondContact O-N 3.04Å; L291-A295 WeakPolarHBondContact O-CB 2.89Å; L291-A295 PolarHBondContact O-N 3.39Å; L291-V326 HydrophobicContact CB-CG2 4.38Å; L291-I359 HydrophobicContact CD1-CB 4.49Å; L291-I359 HydrophobicContact CD1-CG2 3.72Å; L291-S360 WeakPolarHBondContact CD1-OG 3.36Å; L291-L363 HydrophobicContact CD2-CD2 4.45Å; L291-S841 VanDerWaalsContact CD2-O 3.29Å; L291-S841 WeakPolarHBondContact CD2-O 3.36Å |
| 292 | I | 94.8 | Very high | 89.3 | Confident | 34 Ų | 34 | 47.8 Ų | 47.8 | 17% | 0.174 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.9 | -47.8 | 176 | -72.7 | 167.1 | 0 | 0 | 0 | 110.1 | F288 F294 A295 M296 V323 V326 F327 | F288-I292 HydrophobicContact CB-CD1 4.5Å; F288-I292 WeakPolarHBondContact O-CB 3.27Å; F288-I292 WeakPolarHBondContact O-CD1 3.47Å; F288-I292 WeakPolarHBondContact O-CG1 3.3Å; F288-I292 PolarHBondContact O-N 3.49Å; I292-F294 PolarHBondContact O-N 2.88Å; I292-A295 PolarHBondContact O-N 3.39Å; I292-M296 HydrophobicContact CG2-CG 4.25Å; I292-M296 HydrophobicContact CG2-SD 3.68Å; I292-M296 VanDerWaalsContact O-CB 3.31Å; I292-M296 WeakPolarHBondContact O-CB 3.45Å; I292-M296 WeakPolarHBondContact O-CG 3.48Å; I292-M296 PolarHBondContact O-N 3.47Å; I292-V323 HydrophobicContact CG2-CG2 3.92Å; I292-V326 HydrophobicContact CG1-CB 4.12Å; I292-V326 HydrophobicContact CG1-CG1 4.02Å; I292-V326 HydrophobicContact CG1-CG2 4.18Å; I292-F327 HydrophobicContact CD1-CE2 3.87Å; I292-F327 HydrophobicContact CD1-CZ 4.38Å |
| 293 | G | 93.8 | Very high | 88.4 | Confident | 40 Ų | 40 | 45.8 Ų | 45.8 | 41% | 0.412 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.9 | -46.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V289 V290 A297 | V289-G293 PolarHBondContact O-N 3.33Å; V290-G293 PolarHBondContact O-N 3.23Å; G293-A297 WeakPolarHBondContact O-CB 3.4Å; G293-A297 PolarHBondContact O-N 3.43Å |
| 294 | F | 94.4 | Very high | 87.1 | Confident | 39 Ų | 39 | 50 Ų | 50 | 17% | 0.171 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.1 | -46.5 | 176.7 | 174.9 | -104.1 | 0 | 0 | 0 | 112.5 | V290 L291 I292 M296 A297 C298 F367 L840 L844 | V290-F294 VanDerWaalsContact O-CB 3.31Å; V290-F294 WeakPolarHBondContact O-CB 3.32Å; V290-F294 PolarHBondContact O-N 2.81Å; L291-F294 PolarHBondContact O-N 3.04Å; I292-F294 PolarHBondContact O-N 2.88Å; F294-M296 PolarHBondContact O-N 3.34Å; F294-A297 PolarHBondContact O-N 3.09Å; F294-C298 WeakPolarHBondContact CE2-SG 3.34Å; F294-C298 WeakPolarHBondContact CZ-SG 3.46Å; F294-C298 VanDerWaalsContact O-CB 3.32Å; F294-C298 WeakPolarHBondContact O-CB 3.41Å; F294-C298 PolarHBondContact O-N 3.27Å; F294-C298 PolarHBondContact O-SG 2.89Å; F294-F367 HydrophobicContact CE1-CE2 4.45Å; F294-F367 HydrophobicContact CE1-CZ 4.39Å; F294-L840 HydrophobicContact CE1-CB 4.34Å; F294-L840 HydrophobicContact CE2-CB 4.19Å; F294-L840 HydrophobicContact CZ-CB 3.61Å; F294-L840 HydrophobicContact CZ-CD1 4.4Å; F294-L844 HydrophobicContact CB-CD1 3.87Å; F294-L844 HydrophobicContact CD1-CD1 4.03Å; F294-L844 HydrophobicContact CD2-CD1 3.3Å; F294-L844 HydrophobicContact CE1-CD1 4.43Å; F294-L844 HydrophobicContact CE2-CD1 3.76Å; F294-L844 HydrophobicContact CG-CD1 3.44Å; F294-L844 VanDerWaalsContact CG-CD1 3.44Å; F294-L844 HydrophobicContact CZ-CD1 4.3Å |
| 295 | A | 92.2 | Very high | 85.4 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.7 | -40.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L291 I292 C298 T299 A322 V326 L363 F367 | L291-A295 WeakPolarHBondContact O-CB 2.89Å; L291-A295 PolarHBondContact O-N 3.39Å; I292-A295 PolarHBondContact O-N 3.39Å; A295-C298 PolarHBondContact O-N 2.98Å; A295-T299 WeakPolarHBondContact O-CG2 3.44Å; A295-T299 PolarHBondContact O-N 3.46Å; A295-T299 VanDerWaalsContact O-N 3.08Å; A295-T299 PolarHBondContact O-OG1 3.36Å; A295-A322 HydrophobicContact CB-CB 3.71Å; A295-A322 WeakPolarHBondContact O-CB 3.43Å; A295-V326 HydrophobicContact CB-CG2 4.48Å; A295-L363 HydrophobicContact CB-CD1 4.09Å; A295-L363 HydrophobicContact CB-CD2 3.93Å; A295-F367 HydrophobicContact CB-CE1 4.45Å; A295-F367 HydrophobicContact CB-CZ 4.12Å |
| 296 | M | 91.6 | Very high | 83.5 | Confident | 73 Ų | 73 | 58.5 Ų | 58.5 | 36% | 0.36 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.2 | -49.2 | 172.2 | -73.9 | 176.5 | 67 | 0 | 0 | 110.6 | I292 F294 C298 T299 L300 P319 V323 | I292-M296 HydrophobicContact CG2-CG 4.25Å; I292-M296 HydrophobicContact CG2-SD 3.68Å; I292-M296 VanDerWaalsContact O-CB 3.31Å; I292-M296 WeakPolarHBondContact O-CB 3.45Å; I292-M296 WeakPolarHBondContact O-CG 3.48Å; I292-M296 PolarHBondContact O-N 3.47Å; F294-M296 PolarHBondContact O-N 3.34Å; M296-C298 VanDerWaalsContact C-N 3.33Å; M296-C298 PolarHBondContact O-N 3.41Å; M296-T299 PolarHBondContact O-N 2.79Å; M296-T299 PolarHBondContact O-OG1 2.95Å; M296-L300 WeakPolarHBondContact O-CG 3.28Å; M296-L300 PolarHBondContact O-N 2.92Å; M296-P319 HydrophobicContact CB-CB 4.37Å; M296-P319 HydrophobicContact CE-CB 4.12Å; M296-P319 HydrophobicContact CG-CB 4.07Å; M296-V323 HydrophobicContact CG-CG2 4.04Å; M296-V323 HydrophobicContact SD-CG2 3.98Å |
| 297 | A | 89.7 | Confident | 81.6 | Confident | 62 Ų | 62 | 58.9 Ų | 58.9 | 51% | 0.512 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.1 | -41.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | G293 F294 T299 L300 | G293-A297 WeakPolarHBondContact O-CB 3.4Å; G293-A297 PolarHBondContact O-N 3.43Å; F294-A297 PolarHBondContact O-N 3.09Å; A297-T299 VanDerWaalsContact C-N 3.29Å; A297-T299 PolarHBondContact O-N 2.84Å; A297-L300 PolarHBondContact O-N 3.14Å |
| 298 | C | 87.8 | Confident | 80 | Confident | 29 Ų | 29 | 70.5 Ų | 70.5 | 20% | 0.196 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -67 | -25.3 | 179.2 | -84 | 0 | 0 | 0 | 0 | 114.4 | F294 A295 M296 F367 Q837 | F294-C298 WeakPolarHBondContact CE2-SG 3.34Å; F294-C298 WeakPolarHBondContact CZ-SG 3.46Å; F294-C298 VanDerWaalsContact O-CB 3.32Å; F294-C298 WeakPolarHBondContact O-CB 3.41Å; F294-C298 PolarHBondContact O-N 3.27Å; F294-C298 PolarHBondContact O-SG 2.89Å; A295-C298 PolarHBondContact O-N 2.98Å; M296-C298 VanDerWaalsContact C-N 3.33Å; M296-C298 PolarHBondContact O-N 3.41Å; C298-F367 HydrophobicContact CB-CE1 3.89Å; C298-F367 HydrophobicContact CB-CZ 4.09Å; C298-Q837 VanDerWaalsContact CB-NE2 3.35Å; C298-Q837 PolarHBondContact O-NE2 3.25Å; C298-Q837 VanDerWaalsContact O-NE2 3.13Å |
| 299 | T | 86.5 | Confident | 78.4 | Confident | 12 Ų | 12 | 78.4 Ų | 78.4 | 7% | 0.074 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 0.3 | 179.2 | 53.2 | 0 | 0 | 0 | 0 | 113.5 | A295 M296 A297 C301 S317 A318 A322 F367 L370 | A295-T299 WeakPolarHBondContact O-CG2 3.44Å; A295-T299 PolarHBondContact O-N 3.46Å; A295-T299 VanDerWaalsContact O-N 3.08Å; A295-T299 PolarHBondContact O-OG1 3.36Å; M296-T299 PolarHBondContact O-N 2.79Å; M296-T299 PolarHBondContact O-OG1 2.95Å; A297-T299 VanDerWaalsContact C-N 3.29Å; A297-T299 PolarHBondContact O-N 2.84Å; T299-C301 PolarHBondContact O-N 2.84Å; T299-S317 WeakPolarHBondContact O-CA 3.45Å; T299-A318 PolarHBondContact O-N 3.27Å; T299-A322 HydrophobicContact CG2-CB 3.82Å; T299-F367 HydrophobicContact CG2-CD1 4.36Å; T299-F367 HydrophobicContact CG2-CE1 4.1Å; T299-L370 HydrophobicContact CG2-CD1 3.63Å |
| 300 | L | 84.7 | Confident | 77.2 | Confident | 62 Ų | 62 | 81.3 Ų | 81.3 | 33% | 0.325 | 41% | 0.406 | S | S | . | . | trans | -76.5 | 117.2 | 171.6 | -64.3 | -179.5 | 0 | 0 | 0 | 110.4 | M296 A297 V302 V312 W314 | M296-L300 WeakPolarHBondContact O-CG 3.28Å; M296-L300 PolarHBondContact O-N 2.92Å; A297-L300 PolarHBondContact O-N 3.14Å; L300-V302 PolarHBondContact O-N 3.26Å; L300-V312 HydrophobicContact CB-CG1 4.49Å; L300-V312 HydrophobicContact CD2-CG1 4.16Å; L300-W314 HydrophobicContact CD2-CH2 4.46Å; L300-W314 HydrophobicContact CD2-CZ3 4.13Å | ||
| 301 | C | 76.3 | Confident | 76 | Confident | 53 Ų | 53 | 79.6 Ų | 79.6 | 36% | 0.358 | 40% | 0.398 | S | S | . | . | trans | -83.5 | 101 | 175.7 | -72.8 | 0 | 0 | 0 | 0 | 109.7 | T299 D313 R316 S317 | T299-C301 PolarHBondContact O-N 2.84Å; C301-D313 HydrophobicContact CB-CB 4.25Å; C301-D313 PolarHBondContact O-N 3.44Å; C301-R316 HydrophobicContact CB-CB 4.2Å; C301-S317 PolarHBondContact N-OG 3.29Å | ||
| 302 | V | 72.5 | Confident | 75.1 | Confident | 62 Ų | 62 | 81 Ų | 81 | 38% | 0.376 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 120.7 | 177.3 | -171.5 | 0 | 0 | 0 | 0 | 110.3 | L300 W310 | L300-V302 PolarHBondContact O-N 3.26Å; V302-W310 HydrophobicContact CG1-CB 4.09Å; V302-W310 HydrophobicContact CG1-CE3 3.77Å |
| 303 | V | 67.2 | Low | 74.3 | Confident | 53 Ų | 53 | 79.4 Ų | 79.4 | 32% | 0.321 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 132.3 | 177.9 | -177.1 | 0 | 0 | 0 | 0 | 109.9 | A311 D313 | V303-A311 PolarHBondContact N-O 2.95Å; V303-A311 PolarHBondContact O-N 2.87Å; V303-D313 HydrophobicContact CG2-CB 4.09Å |
| 304 | K | 62 | Low | 73.7 | Confident | 147 Ų | 147 | 78.6 Ų | 78.6 | 64% | 0.639 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 112.6 | 174.5 | -173.4 | 178.9 | -178.6 | 179.5 | 0 | 109.5 | W310 | K304-W310 HydrophobicContact CB-CE3 4.41Å; K304-W310 HydrophobicContact CB-CZ3 4.39Å; K304-W310 HydrophobicContact CD-CH2 4.17Å; K304-W310 HydrophobicContact CD-CZ3 4.34Å |
| 305 | K | 52.2 | Low | 72.9 | Confident | 112 Ų | 112 | 76.9 Ų | 76.9 | 49% | 0.487 | 38% | 0.376 | S | S | . | . | trans | -101.8 | 162.4 | 177.2 | -161.1 | 167.6 | -178.1 | 166.7 | 0 | 111.9 | G307 T468 | K305-G307 PolarHBondContact O-N 3.4Å; K305-T468 PolarHBondContact NZ-O 3.35Å | ||
| 306 | H | 50 | Low | 72.2 | Confident | 206 Ų | 206 | 79.7 Ų | 79.7 | 95% | 0.954 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -58.1 | 17.2 | -173.3 | -114.5 | 14.1 | 0 | 0 | 0 | 117.9 | ||
| 307 | G | 52.3 | Low | 71.9 | Confident | 47 Ų | 47 | 76.2 Ų | 76.2 | 49% | 0.485 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -147.6 | 99.4 | 166 | 0 | 0 | 0 | 0 | 0 | 109.2 | K305 W309 | K305-G307 PolarHBondContact O-N 3.4Å; G307-W309 PolarHBondContact O-N 2.97Å |
| 308 | R | 56.9 | Low | 71.9 | Confident | 246 Ų | 246 | 73.5 Ų | 73.5 | 93% | 0.928 | 35% | 0.347 | S | S | * | . | S | Bend | trans | 26 | 7.5 | 166.4 | -77 | -174.3 | 179.2 | 166 | 0.2 | 122.6 | ||
| 309 | W | 60.8 | Low | 72 | Confident | 215 Ų | 215 | 72.4 Ų | 72.4 | 81% | 0.814 | 34% | 0.339 | S | S | * | . | trans | -117.3 | 137.6 | -175.5 | -65 | 88.7 | 0 | 0 | 0 | 111.2 | G307 | G307-W309 PolarHBondContact O-N 2.97Š| ||
| 310 | W | 67.9 | Low | 72.1 | Confident | 157 Ų | 157 | 78.7 Ų | 78.7 | 60% | 0.595 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 129.5 | 175.1 | -54.8 | 86.8 | 0 | 0 | 0 | 108.3 | V302 K304 I508 | V302-W310 HydrophobicContact CG1-CB 4.09Å; V302-W310 HydrophobicContact CG1-CE3 3.77Å; K304-W310 HydrophobicContact CB-CE3 4.41Å; K304-W310 HydrophobicContact CB-CZ3 4.39Å; K304-W310 HydrophobicContact CD-CH2 4.17Å; K304-W310 HydrophobicContact CD-CZ3 4.34Å; W310-I508 HydrophobicContact CH2-CD1 4.35Å; W310-I508 HydrophobicContact CZ3-CD1 3.57Å |
| 311 | A | 68.6 | Low | 72.5 | Confident | 22 Ų | 22 | 76 Ų | 76 | 18% | 0.182 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 142.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110 | V303 I483 | V303-A311 PolarHBondContact N-O 2.95Å; V303-A311 PolarHBondContact O-N 2.87Å; A311-I483 HydrophobicContact CB-CD1 3.8Å; A311-I483 HydrophobicContact CB-CG2 4.4Å |
| 312 | V | 75.1 | Confident | 73.2 | Confident | 29 Ų | 29 | 73.5 Ų | 73.5 | 18% | 0.176 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 130 | 172.4 | 178.7 | 0 | 0 | 0 | 0 | 108.2 | L300 W314 S317 | L300-V312 HydrophobicContact CB-CG1 4.49Å; L300-V312 HydrophobicContact CD2-CG1 4.16Å; V312-W314 HydrophobicContact CB-CZ2 4.34Å; V312-W314 HydrophobicContact CG1-CD2 4.03Å; V312-W314 HydrophobicContact CG1-CE3 4.29Å; V312-W314 HydrophobicContact CG1-CG 4.48Å; V312-W314 HydrophobicContact CG1-CH2 4.41Å; V312-W314 HydrophobicContact CG1-CZ2 4.15Å; V312-W314 HydrophobicContact CG1-CZ3 4.44Å; V312-W314 PolarHBondContact O-N 3.29Å; V312-S317 WeakPolarHBondContact CG1-OG 3.42Å |
| 313 | D | 77.5 | Confident | 74.2 | Confident | 2 Ų | 2 | 71.5 Ų | 71.5 | 1% | 0.011 | 32% | 0.319 | C | S | . | . | trans | -82.9 | 98.6 | 170.7 | -175.2 | -14.1 | 0 | 0 | 0 | 109.4 | C301 V303 N315 R316 S317 G484 S485 | C301-D313 HydrophobicContact CB-CB 4.25Å; C301-D313 PolarHBondContact O-N 3.44Å; V303-D313 HydrophobicContact CG2-CB 4.09Å; D313-N315 PolarHBondContact O-N 3.43Å; D313-N315 WeakPolarHBondContact OD1-CB 3.42Å; D313-N315 PolarHBondContact OD1-N 3.37Å; D313-R316 HydrophobicContact CB-CB 4.44Å; D313-R316 PolarHBondContact O-N 2.96Å; D313-R316 PolarHBondContact OD1-N 3.47Å; D313-R316 WeakPolarHBondContact OD2-CD 3.2Å; D313-R316 WeakPolarHBondContact OD2-CG 3.43Å; D313-R316 IonicContact OD2-NE 2.94Å; D313-S317 WeakPolarHBondContact O-CB 3.19Å; D313-S317 PolarHBondContact O-N 2.98Å; D313-S317 PolarHBondContact O-OG 3.41Å; D313-G484 VanDerWaalsContact OD1-CA 3.29Å; D313-G484 WeakPolarHBondContact OD1-CA 3.25Å; D313-S485 VanDerWaalsContact CG-N 3.35Å; D313-S485 PolarHBondContact OD1-N 2.96Å; D313-S485 WeakPolarHBondContact OD2-CB 3.37Å; D313-S485 PolarHBondContact OD2-N 2.96Å; D313-S485 PolarHBondContact OD2-OG 3.48Å | ||
| 314 | W | 81.9 | Confident | 75.5 | Confident | 23 Ų | 23 | 69.5 Ų | 69.5 | 9% | 0.087 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -12.2 | -178.4 | -68.1 | 104.7 | 0 | 0 | 0 | 114.2 | L300 V312 H457 T458 I459 T465 L480 F481 I483 | L300-W314 HydrophobicContact CD2-CH2 4.46Å; L300-W314 HydrophobicContact CD2-CZ3 4.13Å; V312-W314 HydrophobicContact CB-CZ2 4.34Å; V312-W314 HydrophobicContact CG1-CD2 4.03Å; V312-W314 HydrophobicContact CG1-CE3 4.29Å; V312-W314 HydrophobicContact CG1-CG 4.48Å; V312-W314 HydrophobicContact CG1-CH2 4.41Å; V312-W314 HydrophobicContact CG1-CZ2 4.15Å; V312-W314 HydrophobicContact CG1-CZ3 4.44Å; V312-W314 PolarHBondContact O-N 3.29Å; W314-H457 AromaticContact CD2-CE1 3.79Å; W314-H457 AromaticContact CD2-NE2 3.59Å; W314-H457 AromaticContact CE3-CE1 3.69Å; W314-H457 AromaticContact CE3-NE2 3.98Å; W314-H457 AromaticContact CG-CE1 3.98Å; W314-H457 AromaticContact CG-NE2 3.48Å; W314-T458 VanDerWaalsContact O-CB 3.27Å; W314-T458 WeakPolarHBondContact O-CB 3.34Å; W314-T458 PolarHBondContact O-N 2.88Å; W314-T458 VanDerWaalsContact O-N 3.1Å; W314-T458 PolarHBondContact O-OG1 3.47Å; W314-I459 HydrophobicContact CE3-CD1 4Å; W314-I459 HydrophobicContact CE3-CG1 4.21Å; W314-I459 HydrophobicContact CH2-CD1 3.79Å; W314-I459 HydrophobicContact CZ3-CD1 3.3Å; W314-I459 HydrophobicContact CZ3-CG1 3.91Å; W314-T465 HydrophobicContact CB-CG2 4.16Å; W314-L480 PolarHBondContact NE1-O 2.75Å; W314-F481 VanDerWaalsContact CD1-C 3.46Å; W314-F481 VanDerWaalsContact CD1-O 3.25Å; W314-F481 HydrophobicContact CZ2-CD1 4.11Å; W314-F481 PolarHBondContact NE1-O 2.87Å; W314-I483 PolarHBondContact N-O 3.25Å |
| 315 | N | 78.1 | Confident | 77 | Confident | 3 Ų | 3 | 62.6 Ų | 62.6 | 2% | 0.016 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -39 | 174.9 | -162.9 | 36.4 | 0 | 0 | 0 | 110.7 | D313 E452 G455 K456 T465 S485 | D313-N315 PolarHBondContact O-N 3.43Å; D313-N315 WeakPolarHBondContact OD1-CB 3.42Å; D313-N315 PolarHBondContact OD1-N 3.37Å; N315-E452 PolarHBondContact ND2-O 2.88Å; N315-E452 WeakPolarHBondContact OD1-CA 3.48Å; N315-E452 PolarHBondContact OD1-O 3Å; N315-G455 WeakPolarHBondContact OD1-CA 3.15Å; N315-K456 PolarHBondContact OD1-O 3.13Å; N315-T465 HydrophobicContact CB-CG2 4.33Å; N315-S485 PolarHBondContact ND2-O 3.4Å |
| 316 | R | 77.6 | Confident | 79 | Confident | 59 Ų | 59 | 57.3 Ų | 57.3 | 22% | 0.223 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -25.5 | 179.5 | -67.2 | -173.3 | -177.5 | -173.4 | 6.4 | 115 | C301 D313 E378 | C301-R316 HydrophobicContact CB-CB 4.2Å; D313-R316 HydrophobicContact CB-CB 4.44Å; D313-R316 PolarHBondContact O-N 2.96Å; D313-R316 PolarHBondContact OD1-N 3.47Å; D313-R316 WeakPolarHBondContact OD2-CD 3.2Å; D313-R316 WeakPolarHBondContact OD2-CG 3.43Å; D313-R316 IonicContact OD2-NE 2.94Å; R316-E378 IonicContact CZ-OE1 3.28Å; R316-E378 IonicContact CZ-OE2 3.44Å; R316-E378 IonicContact NE-OE1 3.89Å; R316-E378 IonicContact NE-OE2 2.76Å; R316-E378 IonicContact NH1-OE1 3.94Å; R316-E378 IonicContact NH2-OE1 2.96Å; R316-E378 PolarHBondContact NH2-OE1 3.29Å; R316-E378 IonicContact NH2-OE2 3.72Å; R316-E378 PolarHBondContact NH2-OE2 3Å |
| 317 | S | 85.1 | Confident | 81.2 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -65.5 | 135.8 | 179.5 | -62.5 | 0 | 0 | 0 | 0 | 110 | T299 C301 V312 D313 P319 T458 | T299-S317 WeakPolarHBondContact O-CA 3.45Å; C301-S317 PolarHBondContact N-OG 3.29Å; V312-S317 WeakPolarHBondContact CG1-OG 3.42Å; D313-S317 WeakPolarHBondContact O-CB 3.19Å; D313-S317 PolarHBondContact O-N 2.98Å; D313-S317 PolarHBondContact O-OG 3.41Å; S317-P319 WeakPolarHBondContact O-CD 3.44Å; S317-T458 VanDerWaalsContact O-CB 3.25Å; S317-T458 WeakPolarHBondContact O-CB 3.36Å; S317-T458 WeakPolarHBondContact O-CG2 3.4Å; S317-T458 PolarHBondContact O-OG1 3.01Å | ||
| 318 | A | 88.5 | Confident | 83.2 | Confident | 5 Ų | 5 | 50.3 Ų | 50.3 | 4% | 0.041 | 21% | 0.209 | C | C | . | . | trans | -123.2 | 51.3 | -171 | 0 | 0 | 0 | 0 | 0 | 114.6 | T299 W320 L321 A322 L370 | T299-A318 PolarHBondContact O-N 3.27Å; A318-W320 VanDerWaalsContact C-N 3.32Å; A318-W320 PolarHBondContact O-N 3.22Å; A318-L321 HydrophobicContact CB-CB 4.09Å; A318-L321 HydrophobicContact CB-CD1 3.97Å; A318-L321 HydrophobicContact CB-CG 4.14Å; A318-L321 PolarHBondContact O-N 3.48Å; A318-A322 PolarHBondContact O-N 3.36Å; A318-A322 VanDerWaalsContact O-N 3.17Å; A318-L370 HydrophobicContact CB-CD2 4.2Å | ||
| 319 | P | 89.8 | Confident | 85 | Confident | 5 Ų | 5 | 38.7 Ų | 38.7 | 3% | 0.032 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.9 | -38.4 | -174.6 | 24.9 | -34.5 | 0 | 0 | 0 | 113.1 | M296 S317 L321 A322 V323 I459 | M296-P319 HydrophobicContact CB-CB 4.37Å; M296-P319 HydrophobicContact CE-CB 4.12Å; M296-P319 HydrophobicContact CG-CB 4.07Å; S317-P319 WeakPolarHBondContact O-CD 3.44Å; P319-L321 VanDerWaalsContact C-N 3.3Å; P319-L321 PolarHBondContact O-N 3.01Å; P319-A322 VanDerWaalsContact O-CB 3.28Å; P319-A322 WeakPolarHBondContact O-CB 3.5Å; P319-A322 PolarHBondContact O-N 2.85Å; P319-V323 WeakPolarHBondContact O-CG2 3.43Å; P319-V323 PolarHBondContact O-N 2.9Å; P319-I459 HydrophobicContact CG-CG1 4.14Å |
| 320 | W | 90.2 | Very high | 86.6 | Confident | 145 Ų | 145 | 28.7 Ų | 28.7 | 55% | 0.549 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -67.6 | -28.6 | 177.6 | -69.3 | 127.8 | 0 | 0 | 0 | 113.4 | A318 V323 A324 I459 | A318-W320 VanDerWaalsContact C-N 3.32Å; A318-W320 PolarHBondContact O-N 3.22Å; W320-V323 HydrophobicContact CE3-CB 4.43Å; W320-V323 HydrophobicContact CE3-CG2 4.34Å; W320-A324 VanDerWaalsContact O-CB 3.32Å; W320-A324 WeakPolarHBondContact O-CB 3.33Å; W320-A324 PolarHBondContact O-N 3.26Å; W320-I459 HydrophobicContact CZ2-CG2 4.42Å; W320-I459 PolarHBondContact NE1-O 3.43Å |
| 321 | L | 92.3 | Very high | 88 | Confident | 5 Ų | 5 | 22.9 Ų | 22.9 | 3% | 0.026 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -72 | -36 | 173 | -64.1 | -172.3 | 0 | 0 | 0 | 111.2 | A318 P319 A324 G325 L370 F444 I445 H448 | A318-L321 HydrophobicContact CB-CB 4.09Å; A318-L321 HydrophobicContact CB-CD1 3.97Å; A318-L321 HydrophobicContact CB-CG 4.14Å; A318-L321 PolarHBondContact O-N 3.48Å; P319-L321 VanDerWaalsContact C-N 3.3Å; P319-L321 PolarHBondContact O-N 3.01Å; L321-A324 PolarHBondContact O-N 3.44Å; L321-G325 PolarHBondContact O-N 3.35Å; L321-L370 HydrophobicContact CB-CD2 4.2Å; L321-L370 HydrophobicContact CD1-CD2 3.44Å; L321-L370 VanDerWaalsContact CD1-CD2 3.44Å; L321-L370 HydrophobicContact CG-CD2 4.46Å; L321-F444 VanDerWaalsContact CD2-C 3.5Å; L321-F444 HydrophobicContact CD2-CB 3.57Å; L321-I445 HydrophobicContact CD1-CG1 3.91Å; L321-I445 HydrophobicContact CD2-CG1 4.39Å; L321-H448 HydrophobicContact CD1-CB 3.64Å; L321-H448 HydrophobicContact CD2-CB 4.07Å; L321-H448 HydrophobicContact CG-CB 4.04Å |
| 322 | A | 90.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.8 | -47.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | A295 T299 A318 P319 G325 V326 | A295-A322 HydrophobicContact CB-CB 3.71Å; A295-A322 WeakPolarHBondContact O-CB 3.43Å; T299-A322 HydrophobicContact CG2-CB 3.82Å; A318-A322 PolarHBondContact O-N 3.36Å; A318-A322 VanDerWaalsContact O-N 3.17Å; P319-A322 VanDerWaalsContact O-CB 3.28Å; P319-A322 WeakPolarHBondContact O-CB 3.5Å; P319-A322 PolarHBondContact O-N 2.85Å; A322-G325 PolarHBondContact O-N 3.03Å; A322-V326 PolarHBondContact O-N 3.47Å; A322-V326 VanDerWaalsContact O-N 3.16Å |
| 323 | V | 93.6 | Very high | 90.3 | Very high | 21 Ų | 21 | 20.9 Ų | 20.9 | 13% | 0.127 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -58.6 | -49.7 | 173.5 | 174.6 | 0 | 0 | 0 | 0 | 110.6 | I292 M296 P319 W320 G325 V326 F327 | I292-V323 HydrophobicContact CG2-CG2 3.92Å; M296-V323 HydrophobicContact CG-CG2 4.04Å; M296-V323 HydrophobicContact SD-CG2 3.98Å; P319-V323 WeakPolarHBondContact O-CG2 3.43Å; P319-V323 PolarHBondContact O-N 2.9Å; W320-V323 HydrophobicContact CE3-CB 4.43Å; W320-V323 HydrophobicContact CE3-CG2 4.34Å; V323-G325 VanDerWaalsContact C-N 3.26Å; V323-G325 PolarHBondContact O-N 3.11Å; V323-V326 PolarHBondContact O-N 3.37Å; V323-F327 HydrophobicContact CG1-CD2 3.58Å; V323-F327 HydrophobicContact CG1-CE2 3.69Å; V323-F327 WeakPolarHBondContact O-CD2 3.39Å; V323-F327 PolarHBondContact O-N 3.09Å |
| 324 | A | 94.2 | Very high | 91.1 | Very high | 11 Ų | 11 | 22.9 Ų | 22.9 | 9% | 0.091 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60 | -35.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | W320 L321 S328 L441 F444 | W320-A324 VanDerWaalsContact O-CB 3.32Å; W320-A324 WeakPolarHBondContact O-CB 3.33Å; W320-A324 PolarHBondContact O-N 3.26Å; L321-A324 PolarHBondContact O-N 3.44Å; A324-S328 WeakPolarHBondContact O-CB 3.3Å; A324-S328 PolarHBondContact O-N 3.33Å; A324-L441 HydrophobicContact CB-CD1 4.43Å; A324-F444 HydrophobicContact CB-CB 4.48Å; A324-F444 HydrophobicContact CB-CD2 3.72Å; A324-F444 HydrophobicContact CB-CE2 4.13Å; A324-F444 HydrophobicContact CB-CG 4.17Å |
| 325 | G | 94 | Very high | 91.8 | Very high | 2 Ų | 2 | 21.8 Ų | 21.8 | 2% | 0.021 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.9 | -49.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L321 A322 V323 S328 A329 T366 | L321-G325 PolarHBondContact O-N 3.35Å; A322-G325 PolarHBondContact O-N 3.03Å; V323-G325 VanDerWaalsContact C-N 3.26Å; V323-G325 PolarHBondContact O-N 3.11Å; G325-S328 PolarHBondContact O-N 3.37Å; G325-A329 PolarHBondContact O-N 3.1Å; G325-T366 WeakPolarHBondContact CA-OG1 3.47Å |
| 326 | V | 95 | Very high | 92.7 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.5 | -46.9 | 177.1 | -179.7 | 0 | 0 | 0 | 0 | 111.1 | F288 L291 I292 A295 A322 V323 A329 G330 I359 L363 | F288-V326 HydrophobicContact CD1-CG1 3.6Å; F288-V326 HydrophobicContact CE1-CG1 3.88Å; L291-V326 HydrophobicContact CB-CG2 4.38Å; I292-V326 HydrophobicContact CG1-CB 4.12Å; I292-V326 HydrophobicContact CG1-CG1 4.02Å; I292-V326 HydrophobicContact CG1-CG2 4.18Å; A295-V326 HydrophobicContact CB-CG2 4.48Å; A322-V326 PolarHBondContact O-N 3.47Å; A322-V326 VanDerWaalsContact O-N 3.16Å; V323-V326 PolarHBondContact O-N 3.37Å; V326-A329 PolarHBondContact O-N 2.9Å; V326-G330 PolarHBondContact O-N 3.39Å; V326-I359 HydrophobicContact CG1-CG2 3.8Å; V326-L363 HydrophobicContact CG2-CD1 3.63Å; V326-L363 HydrophobicContact CG2-CD2 4.18Å; V326-L363 HydrophobicContact CG2-CG 4.5Å |
| 327 | F | 94.3 | Very high | 93.6 | Very high | 106 Ų | 106 | 19.4 Ų | 19.4 | 47% | 0.465 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -66.6 | -38.2 | 178.2 | -84.3 | -76.5 | 0 | 0 | 0 | 112.6 | I292 V323 A329 G330 M331 | I292-F327 HydrophobicContact CD1-CE2 3.87Å; I292-F327 HydrophobicContact CD1-CZ 4.38Å; V323-F327 HydrophobicContact CG1-CD2 3.58Å; V323-F327 HydrophobicContact CG1-CE2 3.69Å; V323-F327 WeakPolarHBondContact O-CD2 3.39Å; V323-F327 PolarHBondContact O-N 3.09Å; F327-A329 VanDerWaalsContact C-N 3.32Å; F327-A329 PolarHBondContact O-N 3.16Å; F327-G330 PolarHBondContact O-N 3.47Å; F327-M331 WeakPolarHBondContact O-CB 3.41Å; F327-M331 WeakPolarHBondContact O-CG 3.4Å; F327-M331 PolarHBondContact O-N 2.85Å |
| 328 | S | 95 | Very high | 94.2 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.007 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.4 | -43.1 | 175.6 | -178.9 | 0 | 0 | 0 | 0 | 111.4 | A324 G325 G332 F436 | A324-S328 WeakPolarHBondContact O-CB 3.3Å; A324-S328 PolarHBondContact O-N 3.33Å; G325-S328 PolarHBondContact O-N 3.37Å; S328-G332 PolarHBondContact O-N 2.95Å; S328-G332 VanDerWaalsContact O-N 3.08Å; S328-F436 WeakPolarHBondContact OG-CB 3.41Å |
| 329 | A | 94.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.008 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66.4 | -43.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | G325 V326 F327 M331 G332 V333 I359 R362 | G325-A329 PolarHBondContact O-N 3.1Å; V326-A329 PolarHBondContact O-N 2.9Å; F327-A329 VanDerWaalsContact C-N 3.32Å; F327-A329 PolarHBondContact O-N 3.16Å; A329-M331 PolarHBondContact O-N 3.01Å; A329-G332 PolarHBondContact O-N 2.53Å; A329-G332 VanDerWaalsContact O-N 3.15Å; A329-V333 PolarHBondContact O-N 2.79Å; A329-I359 HydrophobicContact CB-CB 4.45Å; A329-I359 HydrophobicContact CB-CG1 4.37Å; A329-I359 HydrophobicContact CB-CG2 4.44Å; A329-R362 HydrophobicContact CB-CB 3.91Å |
| 330 | G | 95.3 | Very high | 94.9 | Very high | 6 Ų | 6 | 22 Ų | 22 | 6% | 0.062 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.1 | -42.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V326 F327 G332 V333 S334 | V326-G330 PolarHBondContact O-N 3.39Å; F327-G330 PolarHBondContact O-N 3.47Å; G330-G332 VanDerWaalsContact C-N 3.32Å; G330-G332 PolarHBondContact O-N 3.05Å; G330-V333 WeakPolarHBondContact O-CB 3.45Å; G330-V333 PolarHBondContact O-N 3.26Å; G330-S334 PolarHBondContact O-N 2.96Å; G330-S334 PolarHBondContact O-OG 2.72Å |
| 331 | M | 95.9 | Very high | 95.2 | Very high | 35 Ų | 35 | 15.1 Ų | 15.1 | 17% | 0.172 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -60.9 | -41 | 173.6 | -74 | 172.7 | 59.8 | 0 | 0 | 111.6 | I44 T47 F327 A329 S334 T335 F436 L440 | I44-M331 HydrophobicContact CB-CE 4.33Å; I44-M331 HydrophobicContact CG1-CE 3.85Å; T47-M331 HydrophobicContact CG2-CB 3.87Å; T47-M331 HydrophobicContact CG2-CE 4.24Å; T47-M331 HydrophobicContact CG2-CG 4.02Å; T47-M331 WeakPolarHBondContact OG1-CE 3.42Å; F327-M331 WeakPolarHBondContact O-CB 3.41Å; F327-M331 WeakPolarHBondContact O-CG 3.4Å; F327-M331 PolarHBondContact O-N 2.85Å; A329-M331 PolarHBondContact O-N 3.01Å; M331-S334 PolarHBondContact O-N 3.41Å; M331-T335 VanDerWaalsContact O-CB 3.29Å; M331-T335 WeakPolarHBondContact O-CB 3.12Å; M331-T335 PolarHBondContact O-N 2.73Å; M331-T335 PolarHBondContact O-OG1 3.38Å; M331-F436 HydrophobicContact CB-CD2 3.94Å; M331-F436 HydrophobicContact CB-CE2 3.92Å; M331-L440 HydrophobicContact CE-CD2 3.86Å; M331-L440 HydrophobicContact SD-CD2 3.62Å |
| 332 | G | 96.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.6 | -47 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S328 A329 G330 T335 A336 T432 | S328-G332 PolarHBondContact O-N 2.95Å; S328-G332 VanDerWaalsContact O-N 3.08Å; A329-G332 PolarHBondContact O-N 2.53Å; A329-G332 VanDerWaalsContact O-N 3.15Å; G330-G332 VanDerWaalsContact C-N 3.32Å; G330-G332 PolarHBondContact O-N 3.05Å; G332-T335 PolarHBondContact O-N 3.24Å; G332-A336 WeakPolarHBondContact O-CB 3.48Å; G332-A336 PolarHBondContact O-N 2.87Å; G332-T432 VanDerWaalsContact C-OG1 3.28Å; G332-T432 WeakPolarHBondContact CA-OG1 3.37Å; G332-T432 PolarHBondContact O-OG1 3.46Å |
| 333 | V | 95.7 | Very high | 95.6 | Very high | 8 Ų | 8 | 25.2 Ų | 25.2 | 5% | 0.048 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.6 | -51.3 | 174.8 | 166.9 | 0 | 0 | 0 | 0 | 111.7 | A329 G330 T335 A336 V337 M354 P355 V358 I359 A429 | A329-V333 PolarHBondContact O-N 2.79Å; G330-V333 WeakPolarHBondContact O-CB 3.45Å; G330-V333 PolarHBondContact O-N 3.26Å; V333-T335 VanDerWaalsContact C-N 3.29Å; V333-T335 PolarHBondContact O-N 3.17Å; V333-A336 PolarHBondContact O-N 3.14Å; V333-V337 HydrophobicContact CG1-CG2 4.48Å; V333-V337 WeakPolarHBondContact O-CG2 3.42Å; V333-V337 PolarHBondContact O-N 3.07Å; V333-M354 HydrophobicContact CB-CE 4.35Å; V333-M354 HydrophobicContact CG1-CE 3.59Å; V333-M354 HydrophobicContact CG2-CE 4.29Å; V333-P355 HydrophobicContact CG1-CB 3.88Å; V333-P355 HydrophobicContact CG1-CG 3.81Å; V333-V358 HydrophobicContact CG2-CB 3.73Å; V333-V358 HydrophobicContact CG2-CG1 3.59Å; V333-I359 HydrophobicContact CG2-CG1 4.33Å; V333-A429 HydrophobicContact CG2-CB 4.41Å |
| 334 | S | 95.3 | Very high | 95.6 | Very high | 44 Ų | 44 | 25.9 Ų | 25.9 | 31% | 0.308 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -60.5 | -39.4 | 179 | -60.7 | 0 | 0 | 0 | 0 | 112.4 | G330 M331 G338 | G330-S334 PolarHBondContact O-N 2.96Å; G330-S334 PolarHBondContact O-OG 2.72Å; M331-S334 PolarHBondContact O-N 3.41Å; S334-G338 PolarHBondContact O-N 3.1Å |
| 335 | T | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.3 | -44.5 | 176.2 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | F46 T47 L50 M331 G332 V333 G338 L339 T432 F436 | F46-T335 HydrophobicContact CD1-CG2 4.13Å; F46-T335 HydrophobicContact CE1-CG2 3.86Å; T47-T335 WeakPolarHBondContact CG2-OG1 3.39Å; T47-T335 PolarHBondContact OG1-OG1 2.76Å; L50-T335 HydrophobicContact CB-CG2 4.07Å; L50-T335 HydrophobicContact CD1-CG2 3.58Å; L50-T335 HydrophobicContact CG-CG2 4.46Å; M331-T335 VanDerWaalsContact O-CB 3.29Å; M331-T335 WeakPolarHBondContact O-CB 3.12Å; M331-T335 PolarHBondContact O-N 2.73Å; M331-T335 PolarHBondContact O-OG1 3.38Å; G332-T335 PolarHBondContact O-N 3.24Å; V333-T335 VanDerWaalsContact C-N 3.29Å; V333-T335 PolarHBondContact O-N 3.17Å; T335-G338 PolarHBondContact O-N 2.94Å; T335-L339 VanDerWaalsContact O-CB 3.24Å; T335-L339 WeakPolarHBondContact O-CB 3.44Å; T335-L339 PolarHBondContact O-N 3Å; T335-T432 HydrophobicContact CG2-CG2 3.97Å; T335-F436 HydrophobicContact CG2-CZ 4.36Å |
| 336 | A | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.1 | -46.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | G332 V333 G338 L339 L340 V428 A429 | G332-A336 WeakPolarHBondContact O-CB 3.48Å; G332-A336 PolarHBondContact O-N 2.87Å; V333-A336 PolarHBondContact O-N 3.14Å; A336-G338 VanDerWaalsContact C-N 3.35Å; A336-G338 PolarHBondContact O-N 3.33Å; A336-L339 PolarHBondContact O-N 3.38Å; A336-L340 WeakPolarHBondContact O-CB 3.48Å; A336-L340 WeakPolarHBondContact O-CG 3.27Å; A336-L340 PolarHBondContact O-N 3.11Å; A336-V428 HydrophobicContact CB-CB 4.11Å; A336-V428 HydrophobicContact CB-CG1 3.71Å; A336-A429 HydrophobicContact CB-CB 3.79Å |
| 337 | V | 96 | Very high | 95.7 | Very high | 13 Ų | 13 | 32.4 Ų | 32.4 | 8% | 0.079 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.7 | -44.4 | 177.6 | 177.2 | 0 | 0 | 0 | 0 | 110.8 | I54 V333 S341 F347 M354 Y425 | I54-V337 HydrophobicContact CG1-CB 4.44Å; I54-V337 HydrophobicContact CG1-CG1 4.11Å; V333-V337 HydrophobicContact CG1-CG2 4.48Å; V333-V337 WeakPolarHBondContact O-CG2 3.42Å; V333-V337 PolarHBondContact O-N 3.07Å; V337-S341 VanDerWaalsContact O-CB 3.28Å; V337-S341 WeakPolarHBondContact O-CB 3.35Å; V337-S341 PolarHBondContact O-N 3.35Å; V337-S341 PolarHBondContact O-OG 2.89Å; V337-F347 HydrophobicContact CG1-CD2 4.4Å; V337-F347 HydrophobicContact CG1-CE2 4.31Å; V337-M354 HydrophobicContact CG2-CE 3.97Å; V337-Y425 HydrophobicContact CB-CE1 4.42Å; V337-Y425 HydrophobicContact CG1-CE1 4.34Å; V337-Y425 HydrophobicContact CG2-CD1 4.12Å; V337-Y425 HydrophobicContact CG2-CE1 4.36Å |
| 338 | G | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.6 | -47.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L50 G53 S334 T335 A336 S341 L342 | L50-G338 CarbonylContact O-C 3.6Å; L50-G338 WeakPolarHBondContact O-CA 3.35Å; G53-G338 WeakPolarHBondContact CA-O 3.38Å; S334-G338 PolarHBondContact O-N 3.1Å; T335-G338 PolarHBondContact O-N 2.94Å; A336-G338 VanDerWaalsContact C-N 3.35Å; A336-G338 PolarHBondContact O-N 3.33Å; G338-S341 PolarHBondContact O-N 3.1Å; G338-L342 WeakPolarHBondContact O-CG 3.49Å; G338-L342 PolarHBondContact O-N 3Å |
| 339 | L | 96.8 | Very high | 95.3 | Very high | 57 Ų | 57 | 27.8 Ų | 27.8 | 30% | 0.298 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -59.1 | -51 | 178 | 177 | 62.2 | 0 | 0 | 0 | 112.1 | L50 T335 A336 S341 L342 L343 V428 | L50-L339 HydrophobicContact CD1-CB 4.47Å; L50-L339 HydrophobicContact CD2-CD1 4.22Å; T335-L339 VanDerWaalsContact O-CB 3.24Å; T335-L339 WeakPolarHBondContact O-CB 3.44Å; T335-L339 PolarHBondContact O-N 3Å; A336-L339 PolarHBondContact O-N 3.38Å; L339-S341 VanDerWaalsContact C-N 3.31Å; L339-S341 PolarHBondContact O-N 3Å; L339-L342 PolarHBondContact O-N 3.39Å; L339-L343 HydrophobicContact CD1-CD1 4.38Å; L339-L343 HydrophobicContact CG-CD1 4.33Å; L339-L343 WeakPolarHBondContact O-CG 3.36Å; L339-L343 PolarHBondContact O-N 2.82Å; L339-L343 VanDerWaalsContact O-N 3.11Å; L339-V428 HydrophobicContact CD2-CG1 4.23Å |
| 340 | L | 96.9 | Very high | 95 | Very high | 8 Ų | 8 | 28 Ų | 28 | 4% | 0.042 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.4 | -34.9 | -178.5 | -72 | 170.9 | 0 | 0 | 0 | 112.1 | A336 L343 G344 V345 L424 Y425 V428 | A336-L340 WeakPolarHBondContact O-CB 3.48Å; A336-L340 WeakPolarHBondContact O-CG 3.27Å; A336-L340 PolarHBondContact O-N 3.11Å; L340-L343 PolarHBondContact O-N 3.17Å; L340-G344 PolarHBondContact O-N 3.06Å; L340-V345 HydrophobicContact CB-CB 4.13Å; L340-V345 HydrophobicContact CB-CG2 4.32Å; L340-V345 HydrophobicContact CD2-CG2 3.97Å; L340-V345 WeakPolarHBondContact O-CB 3.21Å; L340-V345 PolarHBondContact O-N 3.05Å; L340-L424 HydrophobicContact CD1-CG 4.34Å; L340-L424 HydrophobicContact CD2-CD1 4.44Å; L340-L424 HydrophobicContact CD2-CD2 4.26Å; L340-L424 HydrophobicContact CD2-CG 4.16Å; L340-Y425 HydrophobicContact CB-CD1 4.26Å; L340-Y425 HydrophobicContact CB-CE1 3.7Å; L340-Y425 HydrophobicContact CB-CE2 4.5Å; L340-Y425 HydrophobicContact CD1-CD1 3.48Å; L340-Y425 VanDerWaalsContact CD1-CD1 3.48Å; L340-Y425 HydrophobicContact CD1-CD2 4Å; L340-Y425 HydrophobicContact CD1-CE1 3.8Å; L340-Y425 HydrophobicContact CD1-CE2 4.29Å; L340-Y425 HydrophobicContact CD1-CG 3.59Å; L340-Y425 HydrophobicContact CG-CE1 4.41Å; L340-V428 HydrophobicContact CD1-CB 4.13Å; L340-V428 HydrophobicContact CD1-CG2 4.09Å; L340-V428 HydrophobicContact CD2-CG2 4.23Å; L340-V428 HydrophobicContact CG-CG2 4.38Å |
| 341 | S | 96.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.2 | -39.7 | 174.4 | -56.3 | 0 | 0 | 0 | 0 | 112 | G53 R57 V337 G338 L339 L343 G344 | G53-S341 WeakPolarHBondContact O-CB 3.14Å; R57-S341 WeakPolarHBondContact CG-OG 3.23Å; V337-S341 VanDerWaalsContact O-CB 3.28Å; V337-S341 WeakPolarHBondContact O-CB 3.35Å; V337-S341 PolarHBondContact O-N 3.35Å; V337-S341 PolarHBondContact O-OG 2.89Å; G338-S341 PolarHBondContact O-N 3.1Å; L339-S341 VanDerWaalsContact C-N 3.31Å; L339-S341 PolarHBondContact O-N 3Å; S341-L343 VanDerWaalsContact C-N 3.27Å; S341-L343 PolarHBondContact O-N 2.57Å; S341-G344 PolarHBondContact O-N 2.66Å; S341-G344 VanDerWaalsContact O-N 3.09Å |
| 342 | L | 95.8 | Very high | 94.6 | Very high | 92 Ų | 92 | 26.8 Ų | 26.8 | 48% | 0.482 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -64.6 | -31.1 | 174 | -70.6 | 169.2 | 0 | 0 | 0 | 112.8 | L50 G338 L339 G344 | L50-L342 HydrophobicContact CD2-CD1 4.25Å; G338-L342 WeakPolarHBondContact O-CG 3.49Å; G338-L342 PolarHBondContact O-N 3Å; L339-L342 PolarHBondContact O-N 3.39Å; L342-G344 PolarHBondContact O-N 3.26Å |
| 343 | L | 95.7 | Very high | 94.3 | Very high | 125 Ų | 125 | 26.9 Ų | 26.9 | 65% | 0.654 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -0.5 | 175.2 | -65.8 | 174.5 | 0 | 0 | 0 | 113.3 | L339 L340 S341 V345 | L339-L343 HydrophobicContact CD1-CD1 4.38Å; L339-L343 HydrophobicContact CG-CD1 4.33Å; L339-L343 WeakPolarHBondContact O-CG 3.36Å; L339-L343 PolarHBondContact O-N 2.82Å; L339-L343 VanDerWaalsContact O-N 3.11Å; L340-L343 PolarHBondContact O-N 3.17Å; S341-L343 VanDerWaalsContact C-N 3.27Å; S341-L343 PolarHBondContact O-N 2.57Å; L343-V345 HydrophobicContact CB-CG2 4.35Å |
| 344 | G | 94.7 | Very high | 94.1 | Very high | 34 Ų | 34 | 26.5 Ų | 26.5 | 35% | 0.351 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | 19.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L340 S341 L342 | L340-G344 PolarHBondContact O-N 3.06Å; S341-G344 PolarHBondContact O-N 2.66Å; S341-G344 VanDerWaalsContact O-N 3.09Å; L342-G344 PolarHBondContact O-N 3.26Å |
| 345 | V | 96.4 | Very high | 94 | Very high | 27 Ų | 27 | 25.5 Ų | 25.5 | 16% | 0.164 | 14% | 0.14 | C | C | . | . | trans | -75 | 135.6 | 175.5 | -177.2 | 0 | 0 | 0 | 0 | 109.6 | L340 L343 L421 L424 Y425 | L340-V345 HydrophobicContact CB-CB 4.13Å; L340-V345 HydrophobicContact CB-CG2 4.32Å; L340-V345 HydrophobicContact CD2-CG2 3.97Å; L340-V345 WeakPolarHBondContact O-CB 3.21Å; L340-V345 PolarHBondContact O-N 3.05Å; L343-V345 HydrophobicContact CB-CG2 4.35Å; V345-L421 HydrophobicContact CG1-CD2 3.85Å; V345-L424 HydrophobicContact CG1-CD2 3.87Å; V345-L424 HydrophobicContact CG2-CD2 4.37Å; V345-Y425 HydrophobicContact CG1-CE2 3.71Å; V345-Y425 PolarHBondContact O-OH 3.46Å | ||
| 346 | Y | 95 | Very high | 93.7 | Very high | 97 Ų | 97 | 25.6 Ų | 25.6 | 38% | 0.38 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 140.5 | 179.3 | -65.2 | -70.9 | 0 | 0 | 0 | 112.2 | W58 L60 L421 Y425 | W58-Y346 HydrophobicContact CB-CD1 4.04Å; W58-Y346 HydrophobicContact CB-CE1 4.49Å; W58-Y346 CarbonylContact O-C 3.41Å; W58-Y346 WeakPolarHBondContact O-CA 3.37Å; L60-Y346 HydrophobicContact CB-CD1 4.1Å; L60-Y346 HydrophobicContact CB-CG 4.17Å; L60-Y346 HydrophobicContact CD2-CG 4.28Å; Y346-L421 WeakPolarHBondContact O-CD2 3.33Å; Y346-Y425 VanDerWaalsContact O-CE2 3.31Å; Y346-Y425 WeakPolarHBondContact O-CE2 3.17Å; Y346-Y425 PolarHBondContact O-OH 3.48Å |
| 347 | F | 93.1 | Very high | 93.3 | Very high | 26 Ų | 26 | 25.7 Ų | 25.7 | 11% | 0.114 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 122.4 | 174 | -175.5 | -82.3 | 0 | 0 | 0 | 109.7 | R57 W58 P59 L60 V337 V351 A352 Y425 | R57-F347 HydrophobicContact CG-CB 4.3Å; R57-F347 HydrophobicContact CG-CG 4.44Å; R57-F347 VanDerWaalsContact NH1-CE1 3.32Å; W58-F347 PolarHBondContact O-N 2.92Å; P59-F347 WeakPolarHBondContact CA-O 3.5Å; L60-F347 PolarHBondContact N-O 2.99Å; V337-F347 HydrophobicContact CG1-CD2 4.4Å; V337-F347 HydrophobicContact CG1-CE2 4.31Å; F347-V351 HydrophobicContact CD2-CB 4.33Å; F347-V351 HydrophobicContact CD2-CG1 3.83Å; F347-V351 HydrophobicContact CE2-CB 4.12Å; F347-V351 HydrophobicContact CE2-CG1 3.56Å; F347-V351 HydrophobicContact CZ-CB 4.42Å; F347-V351 HydrophobicContact CZ-CG1 4.26Å; F347-A352 HydrophobicContact CE1-CB 4.24Å; F347-A352 HydrophobicContact CZ-CB 4.01Å; F347-Y425 HydrophobicContact CD2-CE1 4.21Å |
| 348 | C | 91.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.007 | 14% | 0.137 | C | C | . | . | trans | -112.4 | 172.9 | 175.2 | 67.7 | 0 | 0 | 0 | 0 | 112 | L66 V350 V351 L421 | L66-C348 HydrophobicContact CD1-CB 4Å; L66-C348 HydrophobicContact CD2-CB 3.65Å; C348-V350 VanDerWaalsContact C-N 3.32Å; C348-V350 PolarHBondContact O-N 3.02Å; C348-V351 WeakPolarHBondContact O-CB 3.4Å; C348-V351 PolarHBondContact O-N 2.73Å; C348-L421 HydrophobicContact CB-CD1 4.41Å | ||
| 349 | E | 88.9 | Confident | 93 | Very high | 10 Ų | 10 | 25.3 Ų | 25.3 | 5% | 0.047 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -33.9 | -174.2 | -60.5 | 77.7 | -166.5 | 0 | 0 | 112.7 | T61 L273 A277 V351 A352 | T61-E349 WeakPolarHBondContact CG2-OE1 3Å; L273-E349 HydrophobicContact CD1-CB 4.49Å; L273-E349 HydrophobicContact CD1-CG 4.4Å; L273-E349 WeakPolarHBondContact CD2-OE2 3.19Å; L273-E349 HydrophobicContact CG-CG 3.93Å; A277-E349 HydrophobicContact CB-CB 4.42Å; A277-E349 HydrophobicContact CB-CG 4.08Å; E349-V351 VanDerWaalsContact C-N 3.31Å; E349-V351 PolarHBondContact O-N 2.7Å; E349-A352 WeakPolarHBondContact O-CB 3.34Å; E349-A352 PolarHBondContact O-N 3.33Å |
| 350 | V | 89.8 | Confident | 92.7 | Very high | 4 Ų | 4 | 22.6 Ų | 22.6 | 2% | 0.024 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -66.5 | -36.1 | 179.5 | -170.4 | 0 | 0 | 0 | 0 | 111.5 | Y67 C348 A352 V353 F422 I792 M856 | Y67-V350 HydrophobicContact CE1-CG2 3.95Å; Y67-V350 VanDerWaalsContact OH-CG2 3.26Å; Y67-V350 WeakPolarHBondContact OH-CG2 3.49Å; C348-V350 VanDerWaalsContact C-N 3.32Å; C348-V350 PolarHBondContact O-N 3.02Å; V350-A352 PolarHBondContact O-N 3.2Å; V350-V353 PolarHBondContact O-N 3.43Å; V350-V353 VanDerWaalsContact O-N 3.13Å; V350-F422 HydrophobicContact CG1-CD2 4.15Å; V350-I792 HydrophobicContact CB-CD1 4.48Å; V350-I792 HydrophobicContact CG1-CD1 3.47Å; V350-I792 VanDerWaalsContact CG1-CD1 3.47Å; V350-M856 HydrophobicContact CG2-SD 4.05Å |
| 351 | V | 92.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.006 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -61.1 | -25.8 | 174.2 | 176.9 | 0 | 0 | 0 | 0 | 111.2 | F347 C348 E349 V353 M354 L421 Y425 | F347-V351 HydrophobicContact CD2-CB 4.33Å; F347-V351 HydrophobicContact CD2-CG1 3.83Å; F347-V351 HydrophobicContact CE2-CB 4.12Å; F347-V351 HydrophobicContact CE2-CG1 3.56Å; F347-V351 HydrophobicContact CZ-CB 4.42Å; F347-V351 HydrophobicContact CZ-CG1 4.26Å; C348-V351 WeakPolarHBondContact O-CB 3.4Å; C348-V351 PolarHBondContact O-N 2.73Å; E349-V351 VanDerWaalsContact C-N 3.31Å; E349-V351 PolarHBondContact O-N 2.7Å; V351-V353 PolarHBondContact O-N 3.09Å; V351-V353 VanDerWaalsContact O-N 3.15Å; V351-M354 WeakPolarHBondContact O-CB 3.36Å; V351-M354 PolarHBondContact O-N 3.02Å; V351-M354 VanDerWaalsContact O-N 3.13Å; V351-L421 HydrophobicContact CG2-CB 4.16Å; V351-Y425 HydrophobicContact CG1-CD1 3.86Å; V351-Y425 HydrophobicContact CG1-CD2 3.87Å; V351-Y425 HydrophobicContact CG1-CE1 4.38Å; V351-Y425 HydrophobicContact CG1-CE2 4.39Å; V351-Y425 HydrophobicContact CG1-CG 3.58Å; V351-Y425 HydrophobicContact CG2-CD2 3.99Å; V351-Y425 HydrophobicContact CG2-CE2 4.5Å; V351-Y425 HydrophobicContact CG2-CG 4.43Å |
| 352 | A | 90.2 | Very high | 92.3 | Very high | 16 Ų | 16 | 22.4 Ų | 22.4 | 13% | 0.132 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -65.4 | -17 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L280 F347 E349 V350 P355 | L280-A352 VanDerWaalsContact CD2-C 3.4Å; L280-A352 HydrophobicContact CD2-CB 3.7Å; L280-A352 WeakPolarHBondContact CD2-O 3.4Å; F347-A352 HydrophobicContact CE1-CB 4.24Å; F347-A352 HydrophobicContact CZ-CB 4.01Å; E349-A352 WeakPolarHBondContact O-CB 3.34Å; E349-A352 PolarHBondContact O-N 3.33Å; V350-A352 PolarHBondContact O-N 3.2Å; A352-P355 VanDerWaalsContact O-CD 3.25Å; A352-P355 WeakPolarHBondContact O-CD 3.41Å |
| 353 | V | 89.9 | Confident | 92.1 | Very high | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.012 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | -83.1 | -25.2 | 175.9 | -165.5 | 0 | 0 | 0 | 0 | 112.7 | L280 V350 V351 P355 F356 L849 F857 F860 | L280-V353 HydrophobicContact CD2-CG2 4.05Å; V350-V353 PolarHBondContact O-N 3.43Å; V350-V353 VanDerWaalsContact O-N 3.13Å; V351-V353 PolarHBondContact O-N 3.09Å; V351-V353 VanDerWaalsContact O-N 3.15Å; V353-P355 VanDerWaalsContact C-N 3.32Å; V353-P355 VanDerWaalsContact O-N 3.15Å; V353-F356 PolarHBondContact O-N 2.92Å; V353-F356 VanDerWaalsContact O-N 3.11Å; V353-L849 HydrophobicContact CG1-CD1 3.74Å; V353-F857 HydrophobicContact CG2-CD1 3.8Å; V353-F857 HydrophobicContact CG2-CE1 3.47Å; V353-F857 VanDerWaalsContact CG2-CE1 3.47Å; V353-F860 HydrophobicContact CB-CE2 4.35Å; V353-F860 HydrophobicContact CB-CZ 4.08Å; V353-F860 HydrophobicContact CG1-CD1 3.86Å; V353-F860 HydrophobicContact CG1-CD2 4.27Å; V353-F860 HydrophobicContact CG1-CE1 3.3Å; V353-F860 HydrophobicContact CG1-CE2 3.78Å; V353-F860 HydrophobicContact CG1-CG 4.25Å; V353-F860 HydrophobicContact CG1-CZ 3.17Å |
| 354 | M | 91.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -46.9 | -44 | -179.4 | -179.7 | -157.1 | 75.4 | 0 | 0 | 114.2 | V333 V337 V351 F356 L357 V358 F422 T426 A429 | V333-M354 HydrophobicContact CB-CE 4.35Å; V333-M354 HydrophobicContact CG1-CE 3.59Å; V333-M354 HydrophobicContact CG2-CE 4.29Å; V337-M354 HydrophobicContact CG2-CE 3.97Å; V351-M354 WeakPolarHBondContact O-CB 3.36Å; V351-M354 PolarHBondContact O-N 3.02Å; V351-M354 VanDerWaalsContact O-N 3.13Å; M354-F356 VanDerWaalsContact C-N 3.32Å; M354-F356 PolarHBondContact O-N 2.78Å; M354-L357 PolarHBondContact O-N 3.18Å; M354-V358 HydrophobicContact CG-CG2 3.73Å; M354-V358 WeakPolarHBondContact O-CG2 3.25Å; M354-V358 PolarHBondContact O-N 3.01Å; M354-F422 HydrophobicContact CB-CE2 4.09Å; M354-T426 HydrophobicContact CG-CG2 4.47Å; M354-T426 WeakPolarHBondContact CG-OG1 3.27Å; M354-A429 HydrophobicContact CE-CB 4.03Å; M354-A429 HydrophobicContact SD-CB 3.91Å |
| 355 | P | 92.3 | Very high | 91.6 | Very high | 22 Ų | 22 | 11.2 Ų | 11.2 | 14% | 0.143 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -57 | -42.2 | -179.2 | -25.3 | 35.6 | 0 | 0 | 0 | 113.7 | V333 A352 V353 L357 I359 | V333-P355 HydrophobicContact CG1-CB 3.88Å; V333-P355 HydrophobicContact CG1-CG 3.81Å; A352-P355 VanDerWaalsContact O-CD 3.25Å; A352-P355 WeakPolarHBondContact O-CD 3.41Å; V353-P355 VanDerWaalsContact C-N 3.32Å; V353-P355 VanDerWaalsContact O-N 3.15Å; P355-L357 VanDerWaalsContact C-N 3.26Å; P355-L357 PolarHBondContact O-N 3.35Å; P355-I359 HydrophobicContact CB-CD1 4.33Å; P355-I359 VanDerWaalsContact O-CB 3.25Å; P355-I359 WeakPolarHBondContact O-CB 3.11Å; P355-I359 VanDerWaalsContact O-CD1 3.31Å; P355-I359 WeakPolarHBondContact O-CD1 3.45Å; P355-I359 WeakPolarHBondContact O-CG1 3.45Å; P355-I359 PolarHBondContact O-N 2.87Å |
| 356 | F | 91.2 | Very high | 91.4 | Very high | 2 Ų | 2 | 10 Ų | 10 | 1% | 0.009 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -61.4 | -39 | -179.1 | -64.3 | -97.5 | 0 | 0 | 0 | 111 | L280 R283 V284 C287 V353 M354 S360 L849 | L280-F356 HydrophobicContact CD1-CD2 4.26Å; L280-F356 HydrophobicContact CD1-CE1 4.44Å; L280-F356 HydrophobicContact CD1-CE2 3.42Å; L280-F356 VanDerWaalsContact CD1-CE2 3.42Å; L280-F356 HydrophobicContact CD1-CZ 3.51Å; L280-F356 HydrophobicContact CD2-CE2 3.93Å; L280-F356 HydrophobicContact CG-CE2 3.56Å; L280-F356 HydrophobicContact CG-CZ 3.91Å; R283-F356 HydrophobicContact CB-CE1 4.21Å; R283-F356 HydrophobicContact CB-CZ 4.13Å; R283-F356 WeakPolarHBondContact O-CE1 3.48Å; V284-F356 HydrophobicContact CB-CZ 4.08Å; V284-F356 HydrophobicContact CG2-CE1 4.38Å; V284-F356 HydrophobicContact CG2-CE2 3.56Å; V284-F356 HydrophobicContact CG2-CZ 3.41Å; V284-F356 VanDerWaalsContact CG2-CZ 3.41Å; C287-F356 HydrophobicContact CB-CD1 3.56Å; C287-F356 HydrophobicContact CB-CE1 3.66Å; V353-F356 PolarHBondContact O-N 2.92Å; V353-F356 VanDerWaalsContact O-N 3.11Å; M354-F356 VanDerWaalsContact C-N 3.32Å; M354-F356 PolarHBondContact O-N 2.78Å; F356-S360 VanDerWaalsContact O-CB 3.27Å; F356-S360 WeakPolarHBondContact O-CB 3.46Å; F356-S360 PolarHBondContact O-N 3.43Å; F356-S360 PolarHBondContact O-OG 2.96Å; F356-L849 HydrophobicContact CD1-CD2 4.02Å; F356-L849 HydrophobicContact CD2-CD2 4.46Å; F356-L849 HydrophobicContact CE1-CD2 3.89Å; F356-L849 HydrophobicContact CE2-CD2 4.38Å; F356-L849 HydrophobicContact CG-CD2 4.3Å; F356-L849 HydrophobicContact CZ-CD2 4.07Å |
| 357 | L | 89.2 | Confident | 91.2 | Very high | 3 Ų | 3 | 5.7 Ų | 5.7 | 2% | 0.016 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -72.8 | -57 | 177.1 | -65.8 | 174.9 | 0 | 0 | 0 | 112.3 | M354 P355 I359 S360 V361 F422 M796 F800 V846 F860 V864 | M354-L357 PolarHBondContact O-N 3.18Å; P355-L357 VanDerWaalsContact C-N 3.26Å; P355-L357 PolarHBondContact O-N 3.35Å; L357-I359 VanDerWaalsContact C-N 3.25Å; L357-I359 PolarHBondContact O-N 3.43Å; L357-S360 PolarHBondContact O-N 3.49Å; L357-S360 VanDerWaalsContact O-N 3.08Å; L357-V361 WeakPolarHBondContact O-CB 3.34Å; L357-V361 WeakPolarHBondContact O-CG2 3.35Å; L357-V361 PolarHBondContact O-N 3.25Å; L357-F422 HydrophobicContact CD1-CZ 3.93Å; L357-M796 HydrophobicContact CD1-CE 3.24Å; L357-M796 HydrophobicContact CD1-CG 4.41Å; L357-M796 HydrophobicContact CD1-SD 3.33Å; L357-M796 WeakPolarHBondContact CD1-SD 3.3Å; L357-M796 HydrophobicContact CD2-CE 3.58Å; L357-M796 HydrophobicContact CG-CE 4Å; L357-F800 HydrophobicContact CD2-CE2 4.4Å; L357-V846 HydrophobicContact CD2-CG2 3.84Å; L357-F860 HydrophobicContact CD1-CE1 4.18Å; L357-F860 HydrophobicContact CD1-CE2 3.94Å; L357-F860 HydrophobicContact CD1-CZ 3.26Å; L357-F860 HydrophobicContact CD2-CE1 3.56Å; L357-F860 HydrophobicContact CD2-CZ 3.55Å; L357-F860 HydrophobicContact CG-CE1 3.84Å; L357-F860 HydrophobicContact CG-CE2 4.5Å; L357-F860 HydrophobicContact CG-CZ 3.4Å; L357-V864 HydrophobicContact CD2-CG2 4.08Å |
| 358 | V | 93 | Very high | 91.1 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -61.3 | -40.4 | -170.8 | 174.5 | 0 | 0 | 0 | 0 | 109.8 | V333 M354 R362 T426 A429 M430 | V333-V358 HydrophobicContact CG2-CB 3.73Å; V333-V358 HydrophobicContact CG2-CG1 3.59Å; M354-V358 HydrophobicContact CG-CG2 3.73Å; M354-V358 WeakPolarHBondContact O-CG2 3.25Å; M354-V358 PolarHBondContact O-N 3.01Å; V358-R362 HydrophobicContact CG1-CG 4.06Å; V358-R362 WeakPolarHBondContact O-CB 3.43Å; V358-R362 WeakPolarHBondContact O-CG 3.3Å; V358-R362 PolarHBondContact O-N 2.97Å; V358-T426 HydrophobicContact CG2-CG2 4.11Å; V358-A429 HydrophobicContact CG1-CB 4.3Å; V358-A429 HydrophobicContact CG2-CB 4.33Å; V358-M430 HydrophobicContact CG1-SD 4.07Å; V358-M430 HydrophobicContact CG2-CE 4.15Å; V358-M430 HydrophobicContact CG2-SD 4.28Å |
| 359 | I | 93.5 | Very high | 91.1 | Very high | 4 Ų | 4 | 5 Ų | 5 | 2% | 0.021 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -64.3 | -45.9 | 176.8 | -63.5 | 167.1 | 0 | 0 | 0 | 111.1 | F288 L291 V326 A329 V333 P355 L357 L363 | F288-I359 HydrophobicContact CE1-CD1 4.15Å; F288-I359 HydrophobicContact CE2-CD1 3.7Å; F288-I359 HydrophobicContact CZ-CD1 3.43Å; F288-I359 VanDerWaalsContact CZ-CD1 3.43Å; L291-I359 HydrophobicContact CD1-CB 4.49Å; L291-I359 HydrophobicContact CD1-CG2 3.72Å; V326-I359 HydrophobicContact CG1-CG2 3.8Å; A329-I359 HydrophobicContact CB-CB 4.45Å; A329-I359 HydrophobicContact CB-CG1 4.37Å; A329-I359 HydrophobicContact CB-CG2 4.44Å; V333-I359 HydrophobicContact CG2-CG1 4.33Å; P355-I359 HydrophobicContact CB-CD1 4.33Å; P355-I359 VanDerWaalsContact O-CB 3.25Å; P355-I359 WeakPolarHBondContact O-CB 3.11Å; P355-I359 VanDerWaalsContact O-CD1 3.31Å; P355-I359 WeakPolarHBondContact O-CD1 3.45Å; P355-I359 WeakPolarHBondContact O-CG1 3.45Å; P355-I359 PolarHBondContact O-N 2.87Å; L357-I359 VanDerWaalsContact C-N 3.25Å; L357-I359 PolarHBondContact O-N 3.43Å; I359-L363 PolarHBondContact O-N 3.37Å |
| 360 | S | 90.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -73.1 | -37 | -174.3 | -51.6 | 0 | 0 | 0 | 0 | 113.2 | L291 F356 L357 S841 G845 | L291-S360 WeakPolarHBondContact CD1-OG 3.36Å; F356-S360 VanDerWaalsContact O-CB 3.27Å; F356-S360 WeakPolarHBondContact O-CB 3.46Å; F356-S360 PolarHBondContact O-N 3.43Å; F356-S360 PolarHBondContact O-OG 2.96Å; L357-S360 PolarHBondContact O-N 3.49Å; L357-S360 VanDerWaalsContact O-N 3.08Å; S360-S841 PolarHBondContact O-OG 3.26Å; S360-G845 WeakPolarHBondContact OG-CA 3.4Å |
| 361 | V | 90.5 | Very high | 90.9 | Very high | 5 Ų | 5 | 6.5 Ų | 6.5 | 3% | 0.03 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -66.8 | -62.5 | 175.1 | 170.8 | 0 | 0 | 0 | 0 | 107.9 | L357 L363 D364 F800 T842 | L357-V361 WeakPolarHBondContact O-CB 3.34Å; L357-V361 WeakPolarHBondContact O-CG2 3.35Å; L357-V361 PolarHBondContact O-N 3.25Å; V361-L363 PolarHBondContact O-N 3.04Å; V361-D364 WeakPolarHBondContact O-CB 3.21Å; V361-D364 PolarHBondContact O-N 3.5Å; V361-F800 HydrophobicContact CB-CE1 4.16Å; V361-F800 HydrophobicContact CB-CZ 4.29Å; V361-F800 HydrophobicContact CG1-CD1 4.03Å; V361-F800 HydrophobicContact CG1-CE1 3.77Å; V361-F800 HydrophobicContact CG1-CZ 4.4Å; V361-F800 HydrophobicContact CG2-CD1 4.11Å; V361-F800 HydrophobicContact CG2-CD2 4.15Å; V361-F800 HydrophobicContact CG2-CE1 3.69Å; V361-F800 HydrophobicContact CG2-CE2 3.68Å; V361-F800 HydrophobicContact CG2-CG 4.37Å; V361-F800 HydrophobicContact CG2-CZ 3.48Å; V361-F800 VanDerWaalsContact CG2-CZ 3.48Å; V361-T842 HydrophobicContact CG2-CG2 4.01Å |
| 362 | R | 92.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -57.9 | -13.8 | -176.4 | -64.9 | -64.6 | 85.1 | 129.1 | -0.1 | 115.6 | A329 V358 D364 N365 D404 M430 Q437 D803 | A329-R362 HydrophobicContact CB-CB 3.91Å; V358-R362 HydrophobicContact CG1-CG 4.06Å; V358-R362 WeakPolarHBondContact O-CB 3.43Å; V358-R362 WeakPolarHBondContact O-CG 3.3Å; V358-R362 PolarHBondContact O-N 2.97Å; R362-D364 WeakPolarHBondContact CA-OD1 3.34Å; R362-D364 PolarHBondContact O-N 2.88Å; R362-N365 PolarHBondContact O-N 2.88Å; R362-D404 IonicContact CZ-OD2 3.45Å; R362-D404 IonicContact NH1-OD2 3.29Å; R362-D404 PolarHBondContact NH1-OD2 3.02Å; R362-D404 IonicContact NH2-OD2 3.2Å; R362-D404 PolarHBondContact NH2-OD2 3.11Å; R362-M430 HydrophobicContact CG-SD 4.35Å; R362-M430 PolarHBondContact NH1-SD 3.15Å; R362-Q437 PolarHBondContact O-NE2 2.84Å; R362-D803 IonicContact NH2-OD2 3.68Å |
| 363 | L | 91.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -63.7 | -27.7 | 168.3 | -172 | 60.4 | 0 | 0 | 0 | 112.1 | L291 A295 V326 I359 V361 N365 T366 F367 | L291-L363 HydrophobicContact CD2-CD2 4.45Å; A295-L363 HydrophobicContact CB-CD1 4.09Å; A295-L363 HydrophobicContact CB-CD2 3.93Å; V326-L363 HydrophobicContact CG2-CD1 3.63Å; V326-L363 HydrophobicContact CG2-CD2 4.18Å; V326-L363 HydrophobicContact CG2-CG 4.5Å; I359-L363 PolarHBondContact O-N 3.37Å; V361-L363 PolarHBondContact O-N 3.04Å; L363-N365 VanDerWaalsContact C-N 3.34Å; L363-N365 PolarHBondContact O-N 3.32Å; L363-T366 VanDerWaalsContact O-CB 3.22Å; L363-T366 WeakPolarHBondContact O-CB 3.23Å; L363-T366 PolarHBondContact O-N 3.48Å; L363-T366 VanDerWaalsContact O-N 3.08Å; L363-F367 HydrophobicContact CD1-CZ 4.44Å; L363-F367 HydrophobicContact CD2-CE2 4.09Å; L363-F367 HydrophobicContact CD2-CZ 4.11Å; L363-F367 HydrophobicContact CG-CD2 4.49Å; L363-F367 HydrophobicContact CG-CE2 3.76Å; L363-F367 HydrophobicContact CG-CZ 3.96Å; L363-F367 WeakPolarHBondContact O-CD2 3.5Å; L363-F367 PolarHBondContact O-N 3.43Å |
| 364 | D | 89.5 | Confident | 90.2 | Very high | 16 Ų | 16 | 9.4 Ų | 9.4 | 9% | 0.086 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -53.6 | -46.2 | 172.6 | 71.3 | -20.9 | 0 | 0 | 0 | 112.9 | V361 R362 T366 F367 L368 | V361-D364 WeakPolarHBondContact O-CB 3.21Å; V361-D364 PolarHBondContact O-N 3.5Å; R362-D364 WeakPolarHBondContact CA-OD1 3.34Å; R362-D364 PolarHBondContact O-N 2.88Å; D364-T366 PolarHBondContact O-N 3.17Å; D364-F367 WeakPolarHBondContact O-CB 3.28Å; D364-F367 PolarHBondContact O-N 3.4Å; D364-L368 PolarHBondContact O-N 3.4Å |
| 365 | N | 90.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -64.4 | -31.9 | 179.2 | -69.4 | -21 | 0 | 0 | 0 | 110.4 | R362 L363 L368 M369 I397 Q437 | R362-N365 PolarHBondContact O-N 2.88Å; L363-N365 VanDerWaalsContact C-N 3.34Å; L363-N365 PolarHBondContact O-N 3.32Å; N365-L368 PolarHBondContact O-N 3.45Å; N365-M369 WeakPolarHBondContact O-CB 3.4Å; N365-M369 WeakPolarHBondContact O-CG 3.39Å; N365-M369 PolarHBondContact O-N 3.46Å; N365-I397 HydrophobicContact CB-CD1 4.09Å; N365-I397 HydrophobicContact CB-CG1 4.22Å; N365-I397 HydrophobicContact CB-CG2 4.37Å; N365-Q437 PolarHBondContact ND2-NE2 3.06Å; N365-Q437 PolarHBondContact ND2-OE1 3.01Å |
| 366 | T | 92.6 | Very high | 89.2 | Confident | 2 Ų | 2 | 12.4 Ų | 12.4 | 1% | 0.012 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -64 | -47.7 | 173.3 | -54.2 | 0 | 0 | 0 | 0 | 110.3 | G325 L363 D364 L368 M369 L370 L441 | G325-T366 WeakPolarHBondContact CA-OG1 3.47Å; L363-T366 VanDerWaalsContact O-CB 3.22Å; L363-T366 WeakPolarHBondContact O-CB 3.23Å; L363-T366 PolarHBondContact O-N 3.48Å; L363-T366 VanDerWaalsContact O-N 3.08Å; D364-T366 PolarHBondContact O-N 3.17Å; T366-L368 VanDerWaalsContact C-N 3.31Å; T366-L368 PolarHBondContact O-N 2.92Å; T366-M369 PolarHBondContact O-N 3.46Å; T366-L370 HydrophobicContact CG2-CD1 4.17Å; T366-L370 WeakPolarHBondContact O-CB 3.23Å; T366-L370 VanDerWaalsContact O-CG 3.24Å; T366-L370 WeakPolarHBondContact O-CG 3.37Å; T366-L370 PolarHBondContact O-N 3.21Å; T366-L441 HydrophobicContact CG2-CD1 4.22Å; T366-L441 HydrophobicContact CG2-CD2 4.08Å; T366-L441 WeakPolarHBondContact OG1-CD2 3.31Å |
| 367 | F | 91.3 | Very high | 88.3 | Confident | 5 Ų | 5 | 18.5 Ų | 18.5 | 2% | 0.022 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.9 | -37.2 | 176.1 | -60.1 | -50.3 | 0 | 0 | 0 | 112.2 | F294 A295 C298 T299 L363 D364 L370 S371 Q837 | F294-F367 HydrophobicContact CE1-CE2 4.45Å; F294-F367 HydrophobicContact CE1-CZ 4.39Å; A295-F367 HydrophobicContact CB-CE1 4.45Å; A295-F367 HydrophobicContact CB-CZ 4.12Å; C298-F367 HydrophobicContact CB-CE1 3.89Å; C298-F367 HydrophobicContact CB-CZ 4.09Å; T299-F367 HydrophobicContact CG2-CD1 4.36Å; T299-F367 HydrophobicContact CG2-CE1 4.1Å; L363-F367 HydrophobicContact CD1-CZ 4.44Å; L363-F367 HydrophobicContact CD2-CE2 4.09Å; L363-F367 HydrophobicContact CD2-CZ 4.11Å; L363-F367 HydrophobicContact CG-CD2 4.49Å; L363-F367 HydrophobicContact CG-CE2 3.76Å; L363-F367 HydrophobicContact CG-CZ 3.96Å; L363-F367 WeakPolarHBondContact O-CD2 3.5Å; L363-F367 PolarHBondContact O-N 3.43Å; D364-F367 WeakPolarHBondContact O-CB 3.28Å; D364-F367 PolarHBondContact O-N 3.4Å; F367-L370 PolarHBondContact O-N 3.02Å; F367-S371 VanDerWaalsContact O-CB 3.31Å; F367-S371 WeakPolarHBondContact O-CB 3.33Å; F367-S371 PolarHBondContact O-N 3.09Å; F367-Q837 HydrophobicContact CD2-CB 3.7Å; F367-Q837 HydrophobicContact CE2-CB 3.92Å; F367-Q837 HydrophobicContact CG-CB 4.1Å |
| 368 | L | 89.2 | Confident | 87.4 | Confident | 13 Ų | 13 | 20.8 Ų | 20.8 | 7% | 0.068 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.2 | -44.9 | 177.1 | -175.5 | 59.1 | 0 | 0 | 0 | 112.4 | D364 N365 T366 S371 A372 I397 H807 L831 | D364-L368 PolarHBondContact O-N 3.4Å; N365-L368 PolarHBondContact O-N 3.45Å; T366-L368 VanDerWaalsContact C-N 3.31Å; T366-L368 PolarHBondContact O-N 2.92Å; L368-S371 PolarHBondContact O-N 2.96Å; L368-A372 WeakPolarHBondContact O-CB 3.4Å; L368-A372 PolarHBondContact O-N 3.4Å; L368-I397 HydrophobicContact CD2-CD1 4.37Å; L368-I397 HydrophobicContact CD2-CG1 3.75Å; L368-H807 WeakPolarHBondContact CD2-CE1 3.47Å; L368-L831 HydrophobicContact CD1-CD2 3.32Å |
| 369 | M | 91.2 | Very high | 86.3 | Confident | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.9 | -41.9 | 175.5 | -71.1 | 174.5 | 83.9 | 0 | 0 | 111.8 | N365 T366 A372 L373 M390 I397 L441 L442 I445 | N365-M369 WeakPolarHBondContact O-CB 3.4Å; N365-M369 WeakPolarHBondContact O-CG 3.39Å; N365-M369 PolarHBondContact O-N 3.46Å; T366-M369 PolarHBondContact O-N 3.46Å; M369-A372 PolarHBondContact O-N 3.23Å; M369-L373 PolarHBondContact O-N 3.35Å; M369-M390 HydrophobicContact CB-CE 4.09Å; M369-M390 HydrophobicContact CE-CE 4.13Å; M369-M390 HydrophobicContact CE-SD 3.51Å; M369-M390 VanDerWaalsContact CE-SD 3.51Å; M369-M390 HydrophobicContact CG-CE 4.17Å; M369-M390 HydrophobicContact CG-SD 4.46Å; M369-I397 HydrophobicContact CG-CD1 3.56Å; M369-I397 HydrophobicContact SD-CD1 4.16Å; M369-L441 HydrophobicContact SD-CD2 3.65Å; M369-L441 HydrophobicContact SD-CG 4.24Å; M369-L442 HydrophobicContact CE-CB 4.24Å; M369-L442 HydrophobicContact CE-CD1 4.38Å; M369-I445 HydrophobicContact CB-CD1 3.92Å; M369-I445 HydrophobicContact CE-CD1 3.54Å; M369-I445 HydrophobicContact SD-CD1 4.2Å |
| 370 | L | 89.1 | Confident | 85.5 | Confident | 25 Ų | 25 | 28.1 Ų | 28.1 | 13% | 0.131 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.9 | -42 | 177 | -69.9 | 175.8 | 0 | 0 | 0 | 112.1 | T299 A318 L321 T366 F367 A372 L373 S374 | T299-L370 HydrophobicContact CG2-CD1 3.63Å; A318-L370 HydrophobicContact CB-CD2 4.2Å; L321-L370 HydrophobicContact CB-CD2 4.2Å; L321-L370 HydrophobicContact CD1-CD2 3.44Å; L321-L370 VanDerWaalsContact CD1-CD2 3.44Å; L321-L370 HydrophobicContact CG-CD2 4.46Å; T366-L370 HydrophobicContact CG2-CD1 4.17Å; T366-L370 WeakPolarHBondContact O-CB 3.23Å; T366-L370 VanDerWaalsContact O-CG 3.24Å; T366-L370 WeakPolarHBondContact O-CG 3.37Å; T366-L370 PolarHBondContact O-N 3.21Å; F367-L370 PolarHBondContact O-N 3.02Å; L370-A372 PolarHBondContact O-N 3.42Å; L370-L373 PolarHBondContact O-N 2.86Å; L370-S374 PolarHBondContact O-N 3.22Å |
| 371 | S | 86.2 | Confident | 85.3 | Confident | 19 Ų | 19 | 29.9 Ų | 29.9 | 13% | 0.133 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.2 | -47.8 | 174.8 | -176.9 | 0 | 0 | 0 | 0 | 110.6 | F367 L368 L373 S374 R375 N830 | F367-S371 VanDerWaalsContact O-CB 3.31Å; F367-S371 WeakPolarHBondContact O-CB 3.33Å; F367-S371 PolarHBondContact O-N 3.09Å; L368-S371 PolarHBondContact O-N 2.96Å; S371-L373 VanDerWaalsContact C-N 3.33Å; S371-L373 PolarHBondContact O-N 3.29Å; S371-S374 PolarHBondContact O-N 3.35Å; S371-S374 VanDerWaalsContact O-N 3.14Å; S371-S374 PolarHBondContact O-OG 2.96Å; S371-R375 WeakPolarHBondContact O-CG 3.36Å; S371-R375 PolarHBondContact O-N 3.32Å; S371-R375 VanDerWaalsContact O-N 3.1Å; S371-N830 PolarHBondContact OG-O 2.98Å |
| 372 | A | 87.3 | Confident | 85 | Confident | 3 Ų | 3 | 29.9 Ų | 29.9 | 3% | 0.025 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.7 | -42.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L368 M369 L370 R375 T376 A389 A393 | L368-A372 WeakPolarHBondContact O-CB 3.4Å; L368-A372 PolarHBondContact O-N 3.4Å; M369-A372 PolarHBondContact O-N 3.23Å; L370-A372 PolarHBondContact O-N 3.42Å; A372-R375 PolarHBondContact O-N 3.02Å; A372-T376 PolarHBondContact O-N 3.49Å; A372-A389 HydrophobicContact CB-CB 4.26Å; A372-A393 HydrophobicContact CB-CB 3.68Å |
| 373 | L | 88.1 | Confident | 84.8 | Confident | 6 Ų | 6 | 33.9 Ų | 33.9 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.3 | -41.3 | 175.2 | -176.7 | 67.2 | 0 | 0 | 0 | 112.3 | M369 L370 S371 R375 T376 R385 I386 A389 I445 | M369-L373 PolarHBondContact O-N 3.35Å; L370-L373 PolarHBondContact O-N 2.86Å; S371-L373 VanDerWaalsContact C-N 3.33Å; S371-L373 PolarHBondContact O-N 3.29Å; L373-R375 VanDerWaalsContact C-N 3.26Å; L373-R375 PolarHBondContact O-N 3.12Å; L373-T376 PolarHBondContact O-N 2.89Å; L373-T376 PolarHBondContact O-OG1 2.99Å; L373-R385 HydrophobicContact CD1-CG 4.19Å; L373-R385 PolarHBondContact O-NH2 2.86Å; L373-I386 HydrophobicContact CD1-CG1 4.23Å; L373-A389 HydrophobicContact CB-CB 4.47Å; L373-A389 HydrophobicContact CD1-CB 4.46Å; L373-I445 HydrophobicContact CD2-CG2 4.04Å |
| 374 | S | 83.3 | Confident | 84.6 | Confident | 71 Ų | 71 | 39.1 Ų | 39.1 | 50% | 0.497 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.2 | -26.4 | 179.7 | 76.3 | 0 | 0 | 0 | 0 | 113.5 | L370 S371 | L370-S374 PolarHBondContact O-N 3.22Å; S371-S374 PolarHBondContact O-N 3.35Å; S371-S374 VanDerWaalsContact O-N 3.14Å; S371-S374 PolarHBondContact O-OG 2.96Å |
| 375 | R | 79.2 | Confident | 84.6 | Confident | 69 Ų | 69 | 39 Ų | 39 | 26% | 0.26 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -79.8 | -19.6 | 177.4 | -69 | -175.2 | -52 | 148.6 | 7 | 113.8 | S371 A372 L373 E392 N830 | S371-R375 WeakPolarHBondContact O-CG 3.36Å; S371-R375 PolarHBondContact O-N 3.32Å; S371-R375 VanDerWaalsContact O-N 3.1Å; A372-R375 PolarHBondContact O-N 3.02Å; L373-R375 VanDerWaalsContact C-N 3.26Å; L373-R375 PolarHBondContact O-N 3.12Å; R375-E392 IonicContact CZ-OE1 2.58Å; R375-E392 IonicContact CZ-OE2 2.82Å; R375-E392 IonicContact NH1-OE1 3.62Å; R375-E392 PolarHBondContact NH1-OE1 3.5Å; R375-E392 IonicContact NH1-OE2 3.68Å; R375-E392 PolarHBondContact NH1-OE2 3.29Å; R375-E392 IonicContact NH2-OE1 2.8Å; R375-E392 PolarHBondContact NH2-OE1 3.16Å; R375-E392 IonicContact NH2-OE2 3.16Å; R375-E392 PolarHBondContact NH2-OE2 3Å; R375-N830 VanDerWaalsContact CD-OD1 3.3Å; R375-N830 WeakPolarHBondContact CD-OD1 3.46Å; R375-N830 PolarHBondContact NH1-ND2 3.26Å |
| 376 | T | 82 | Confident | 84.6 | Confident | 16 Ų | 16 | 39 Ų | 39 | 10% | 0.098 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -71 | 149 | 178.6 | 57.5 | 0 | 0 | 0 | 0 | 111.5 | A372 L373 E378 R385 A389 | A372-T376 PolarHBondContact O-N 3.49Å; L373-T376 PolarHBondContact O-N 2.89Å; L373-T376 PolarHBondContact O-OG1 2.99Å; T376-E378 PolarHBondContact O-N 2.99Å; T376-R385 HydrophobicContact CG2-CG 4.36Å; T376-R385 WeakPolarHBondContact OG1-CD 3.31Å; T376-R385 WeakPolarHBondContact OG1-CG 3.19Å; T376-R385 PolarHBondContact OG1-NE 3.06Å; T376-A389 HydrophobicContact CG2-CB 3.79Å |
| 377 | K | 74.1 | Confident | 84.6 | Confident | 131 Ų | 131 | 39 Ų | 39 | 57% | 0.57 | 21% | 0.206 | S | C | * | . | trans | -62.9 | 119.3 | 179.5 | -66.3 | 179.4 | -178.2 | 177.8 | 0 | 110.6 | S379 L380 | K377-S379 PolarHBondContact O-N 3.29Å; K377-S379 VanDerWaalsContact O-N 3.13Å; K377-L380 HydrophobicContact CB-CD1 4.01Å; K377-L380 HydrophobicContact CB-CG 4.05Å; K377-L380 WeakPolarHBondContact O-CB 3.28Å; K377-L380 PolarHBondContact O-N 3.45Å | ||
| 378 | E | 68.6 | Low | 84.5 | Confident | 51 Ų | 51 | 43.2 Ų | 43.2 | 24% | 0.238 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -21.8 | 178.8 | -71.8 | 163.9 | -128.5 | 0 | 0 | 114.1 | R316 T376 L380 | R316-E378 IonicContact CZ-OE1 3.28Å; R316-E378 IonicContact CZ-OE2 3.44Å; R316-E378 IonicContact NE-OE1 3.89Å; R316-E378 IonicContact NE-OE2 2.76Å; R316-E378 IonicContact NH1-OE1 3.94Å; R316-E378 IonicContact NH2-OE1 2.96Å; R316-E378 PolarHBondContact NH2-OE1 3.29Å; R316-E378 IonicContact NH2-OE2 3.72Å; R316-E378 PolarHBondContact NH2-OE2 3Å; T376-E378 PolarHBondContact O-N 2.99Å; E378-L380 PolarHBondContact O-N 3.26Å |
| 379 | S | 70 | Confident | 84.5 | Confident | 101 Ų | 101 | 42.7 Ų | 42.7 | 71% | 0.706 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -14.9 | 177.1 | 61.7 | 0 | 0 | 0 | 0 | 113.6 | K377 | K377-S379 PolarHBondContact O-N 3.29Å; K377-S379 VanDerWaalsContact O-N 3.13Å |
| 380 | L | 78 | Confident | 84.6 | Confident | 56 Ų | 56 | 42.8 Ų | 42.8 | 29% | 0.293 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -78.9 | 144.7 | -177.3 | -66.4 | 173.4 | 0 | 0 | 0 | 111.3 | K377 E378 R385 | K377-L380 HydrophobicContact CB-CD1 4.01Å; K377-L380 HydrophobicContact CB-CG 4.05Å; K377-L380 WeakPolarHBondContact O-CB 3.28Å; K377-L380 PolarHBondContact O-N 3.45Å; E378-L380 PolarHBondContact O-N 3.26Å; L380-R385 HydrophobicContact CB-CB 4.29Å |
| 381 | P | 84.8 | Confident | 84.6 | Confident | 37 Ų | 37 | 42.1 Ų | 42.1 | 24% | 0.24 | 22% | 0.222 | C | C | . | . | trans | -62 | 150.3 | 171.2 | 28.9 | -34.3 | 0 | 0 | 0 | 110.4 | E383 E384 R385 | P381-E383 WeakPolarHBondContact CB-OE2 3.43Å; P381-E383 PolarHBondContact O-N 2.91Å; P381-E383 VanDerWaalsContact O-N 3.13Å; P381-E384 HydrophobicContact CG-CB 4.07Å; P381-E384 HydrophobicContact CG-CG 3.9Å; P381-E384 PolarHBondContact O-N 3.39Å; P381-R385 WeakPolarHBondContact O-CB 3.27Å; P381-R385 PolarHBondContact O-N 2.98Å | ||
| 382 | V | 85.7 | Confident | 84.4 | Confident | 5 Ų | 5 | 43.8 Ų | 43.8 | 3% | 0.03 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -55.8 | -35 | -178.1 | 176.5 | 0 | 0 | 0 | 0 | 111.3 | E384 R385 I386 A449 R450 R453 | V382-E384 PolarHBondContact O-N 3.19Å; V382-R385 PolarHBondContact O-N 2.96Å; V382-I386 HydrophobicContact CG1-CD1 3.51Å; V382-I386 HydrophobicContact CG1-CG1 4.08Å; V382-I386 PolarHBondContact O-N 2.85Å; V382-A449 HydrophobicContact CG1-CB 3.96Å; V382-A449 HydrophobicContact CG2-CB 4.24Å; V382-A449 WeakPolarHBondContact CG2-O 3.36Å; V382-R450 HydrophobicContact CG1-CG 4.22Å; V382-R450 HydrophobicContact CG2-CG 4.42Å; V382-R453 HydrophobicContact CG2-CB 4.17Å |
| 383 | E | 87.6 | Confident | 84.4 | Confident | 85 Ų | 85 | 43.9 Ų | 43.9 | 40% | 0.397 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.8 | -18.8 | 178 | -59.3 | 84.3 | -174.3 | 0 | 0 | 114 | P381 P387 R453 | P381-E383 WeakPolarHBondContact CB-OE2 3.43Å; P381-E383 PolarHBondContact O-N 2.91Å; P381-E383 VanDerWaalsContact O-N 3.13Å; E383-P387 WeakPolarHBondContact O-CD 3.44Å; E383-P387 VanDerWaalsContact O-CG 3.27Å; E383-P387 WeakPolarHBondContact O-CG 3.48Å; E383-R453 IonicContact OE2-NH1 3.85Å; E383-R453 PolarHBondContact OE2-NH1 2.74Å |
| 384 | E | 87.8 | Confident | 84.5 | Confident | 110 Ų | 110 | 43.6 Ų | 43.6 | 51% | 0.514 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -107.6 | -35.2 | 174.7 | -68.7 | -179.5 | -175.7 | 0 | 0 | 112.1 | P381 V382 E388 | P381-E384 HydrophobicContact CG-CB 4.07Å; P381-E384 HydrophobicContact CG-CG 3.9Å; P381-E384 PolarHBondContact O-N 3.39Å; V382-E384 PolarHBondContact O-N 3.19Å; E384-E388 WeakPolarHBondContact O-CB 3.4Å; E384-E388 PolarHBondContact O-N 3.14Å |
| 385 | R | 89 | Confident | 84.7 | Confident | 14 Ų | 14 | 40.3 Ų | 40.3 | 5% | 0.053 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.1 | -50 | -177.4 | -168.8 | -178.1 | 168.3 | -158.2 | -2.6 | 112.6 | L373 T376 L380 P381 V382 E388 A389 E452 | L373-R385 HydrophobicContact CD1-CG 4.19Å; L373-R385 PolarHBondContact O-NH2 2.86Å; T376-R385 HydrophobicContact CG2-CG 4.36Å; T376-R385 WeakPolarHBondContact OG1-CD 3.31Å; T376-R385 WeakPolarHBondContact OG1-CG 3.19Å; T376-R385 PolarHBondContact OG1-NE 3.06Å; L380-R385 HydrophobicContact CB-CB 4.29Å; P381-R385 WeakPolarHBondContact O-CB 3.27Å; P381-R385 PolarHBondContact O-N 2.98Å; V382-R385 PolarHBondContact O-N 2.96Å; R385-E388 PolarHBondContact O-N 3.28Å; R385-A389 PolarHBondContact O-N 3.43Å; R385-E452 IonicContact CZ-OE1 3.69Å; R385-E452 IonicContact CZ-OE2 3.67Å; R385-E452 IonicContact NH1-OE1 3.33Å; R385-E452 PolarHBondContact NH1-OE1 2.83Å; R385-E452 IonicContact NH1-OE2 3.97Å; R385-E452 PolarHBondContact NH1-OE2 3.44Å; R385-E452 IonicContact NH2-OE1 3.47Å; R385-E452 PolarHBondContact NH2-OE1 3.48Å; R385-E452 IonicContact NH2-OE2 3.01Å; R385-E452 PolarHBondContact NH2-OE2 3.03Å |
| 386 | I | 91.7 | Very high | 85.1 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.9 | -47.1 | -177.5 | -66 | 177.1 | 0 | 0 | 0 | 111.9 | A29 L373 V382 E388 A389 M390 L442 I445 V446 A449 | A29-I386 HydrophobicContact CB-CG2 4.41Å; L373-I386 HydrophobicContact CD1-CG1 4.23Å; V382-I386 HydrophobicContact CG1-CD1 3.51Å; V382-I386 HydrophobicContact CG1-CG1 4.08Å; V382-I386 PolarHBondContact O-N 2.85Å; I386-E388 PolarHBondContact O-N 3.34Å; I386-A389 PolarHBondContact O-N 2.8Å; I386-M390 HydrophobicContact CG2-CG 4.06Å; I386-M390 WeakPolarHBondContact O-CB 3.17Å; I386-M390 WeakPolarHBondContact O-CG 3.21Å; I386-M390 PolarHBondContact O-N 3.23Å; I386-L442 HydrophobicContact CG2-CD1 3.87Å; I386-I445 HydrophobicContact CD1-CG2 4.42Å; I386-V446 VanDerWaalsContact CD1-CA 3.48Å; I386-V446 HydrophobicContact CD1-CB 4Å; I386-V446 HydrophobicContact CD1-CG1 4.42Å; I386-V446 HydrophobicContact CD1-CG2 3.6Å; I386-V446 HydrophobicContact CG2-CG2 4.47Å; I386-A449 HydrophobicContact CD1-CB 3.89Å; I386-A449 HydrophobicContact CG1-CB 4.28Å |
| 387 | P | 92.7 | Very high | 85.5 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.9 | -33.8 | 176.2 | -29.4 | 38.9 | 0 | 0 | 0 | 113.8 | R26 A29 K30 E383 A391 | R26-P387 HydrophobicContact CB-CB 4.42Å; R26-P387 HydrophobicContact CG-CB 3.52Å; A29-P387 HydrophobicContact CB-CB 4.28Å; A29-P387 HydrophobicContact CB-CG 4.27Å; K30-P387 HydrophobicContact CB-CG 4.43Å; K30-P387 HydrophobicContact CG-CB 4.03Å; K30-P387 HydrophobicContact CG-CG 3.46Å; K30-P387 VanDerWaalsContact CG-CG 3.46Å; E383-P387 WeakPolarHBondContact O-CD 3.44Å; E383-P387 VanDerWaalsContact O-CG 3.27Å; E383-P387 WeakPolarHBondContact O-CG 3.48Å; P387-A391 VanDerWaalsContact O-CB 3.29Å; P387-A391 WeakPolarHBondContact O-CB 3.34Å; P387-A391 PolarHBondContact O-N 3.44Å |
| 388 | E | 89.2 | Confident | 86.2 | Confident | 94 Ų | 94 | 31.3 Ų | 31.3 | 44% | 0.439 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -72.2 | -43.7 | 176.3 | -163.6 | 59.5 | -159 | 0 | 0 | 112.2 | R26 E384 R385 I386 M390 A391 | R26-E388 IonicContact CZ-OE2 3.73Å; R26-E388 VanDerWaalsContact CZ-OE2 3.32Å; R26-E388 IonicContact NE-OE2 2.74Å; R26-E388 PolarHBondContact NE-OE2 2.6Å; R26-E388 IonicContact NH2-OE1 3.22Å; R26-E388 PolarHBondContact NH2-OE1 3.39Å; R26-E388 IonicContact NH2-OE2 3.63Å; R26-E388 PolarHBondContact NH2-OE2 2.94Å; E384-E388 WeakPolarHBondContact O-CB 3.4Å; E384-E388 PolarHBondContact O-N 3.14Å; R385-E388 PolarHBondContact O-N 3.28Å; I386-E388 PolarHBondContact O-N 3.34Å; E388-M390 VanDerWaalsContact C-N 3.32Å; E388-M390 PolarHBondContact O-N 2.93Å; E388-A391 PolarHBondContact O-N 3.49Å |
| 389 | A | 89.5 | Confident | 87 | Confident | 2 Ų | 2 | 29.2 Ų | 29.2 | 2% | 0.017 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59 | -43.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | A372 L373 T376 R385 I386 A393 | A372-A389 HydrophobicContact CB-CB 4.26Å; L373-A389 HydrophobicContact CB-CB 4.47Å; L373-A389 HydrophobicContact CD1-CB 4.46Å; T376-A389 HydrophobicContact CG2-CB 3.79Å; R385-A389 PolarHBondContact O-N 3.43Å; I386-A389 PolarHBondContact O-N 2.8Å; A389-A393 WeakPolarHBondContact O-CB 3.49Å; A389-A393 PolarHBondContact O-N 3.47Å; A389-A393 VanDerWaalsContact O-N 3.11Å |
| 390 | M | 92.7 | Very high | 87.8 | Confident | 3 Ų | 3 | 24.4 Ų | 24.4 | 2% | 0.015 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -75.7 | -27.6 | -177.6 | -66.9 | -58.6 | 101.6 | 0 | 0 | 113.3 | A29 M369 I386 E388 E392 A393 A394 L442 | A29-M390 HydrophobicContact CB-CB 3.98Å; A29-M390 HydrophobicContact CB-CG 4.16Å; M369-M390 HydrophobicContact CB-CE 4.09Å; M369-M390 HydrophobicContact CE-CE 4.13Å; M369-M390 HydrophobicContact CE-SD 3.51Å; M369-M390 VanDerWaalsContact CE-SD 3.51Å; M369-M390 HydrophobicContact CG-CE 4.17Å; M369-M390 HydrophobicContact CG-SD 4.46Å; I386-M390 HydrophobicContact CG2-CG 4.06Å; I386-M390 WeakPolarHBondContact O-CB 3.17Å; I386-M390 WeakPolarHBondContact O-CG 3.21Å; I386-M390 PolarHBondContact O-N 3.23Å; E388-M390 VanDerWaalsContact C-N 3.32Å; E388-M390 PolarHBondContact O-N 2.93Å; M390-E392 PolarHBondContact O-N 3.06Å; M390-A393 HydrophobicContact CE-CB 4.22Å; M390-A394 WeakPolarHBondContact O-CB 3.49Å; M390-A394 PolarHBondContact O-N 3.43Å; M390-L442 HydrophobicContact CG-CD1 3.65Å; M390-L442 HydrophobicContact SD-CD1 3.72Å |
| 391 | A | 88.2 | Confident | 88.5 | Confident | 11 Ų | 11 | 21.9 Ų | 21.9 | 9% | 0.091 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.3 | -27.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | R26 P387 E388 V395 | R26-A391 HydrophobicContact CB-CB 4.22Å; P387-A391 VanDerWaalsContact O-CB 3.29Å; P387-A391 WeakPolarHBondContact O-CB 3.34Å; P387-A391 PolarHBondContact O-N 3.44Å; E388-A391 PolarHBondContact O-N 3.49Å; A391-V395 VanDerWaalsContact O-CG2 3.29Å; A391-V395 WeakPolarHBondContact O-CG2 3.49Å |
| 392 | E | 82.3 | Confident | 88.7 | Confident | 54 Ų | 54 | 22.8 Ų | 22.8 | 25% | 0.252 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -95.8 | -50.5 | 176 | -168 | -174.2 | 153.8 | 0 | 0 | 111.9 | R375 M390 S396 Y810 | R375-E392 IonicContact CZ-OE1 2.58Å; R375-E392 IonicContact CZ-OE2 2.82Å; R375-E392 IonicContact NH1-OE1 3.62Å; R375-E392 PolarHBondContact NH1-OE1 3.5Å; R375-E392 IonicContact NH1-OE2 3.68Å; R375-E392 PolarHBondContact NH1-OE2 3.29Å; R375-E392 IonicContact NH2-OE1 2.8Å; R375-E392 PolarHBondContact NH2-OE1 3.16Å; R375-E392 IonicContact NH2-OE2 3.16Å; R375-E392 PolarHBondContact NH2-OE2 3Å; M390-E392 PolarHBondContact O-N 3.06Å; E392-S396 PolarHBondContact O-N 2.84Å; E392-Y810 HydrophobicContact CG-CE1 4.41Å |
| 393 | A | 88.4 | Confident | 88.8 | Confident | 4 Ų | 4 | 22.5 Ų | 22.5 | 3% | 0.033 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66.3 | -46.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A372 A389 M390 V395 S396 I397 | A372-A393 HydrophobicContact CB-CB 3.68Å; A389-A393 WeakPolarHBondContact O-CB 3.49Å; A389-A393 PolarHBondContact O-N 3.47Å; A389-A393 VanDerWaalsContact O-N 3.11Å; M390-A393 HydrophobicContact CE-CB 4.22Å; A393-V395 VanDerWaalsContact C-N 3.3Å; A393-V395 PolarHBondContact O-N 2.88Å; A393-S396 PolarHBondContact O-N 3.29Å; A393-S396 VanDerWaalsContact O-N 3.14Å; A393-I397 VanDerWaalsContact O-CG1 3.3Å; A393-I397 WeakPolarHBondContact O-CG1 3.47Å; A393-I397 PolarHBondContact O-N 2.92Å |
| 394 | A | 90.4 | Very high | 88.9 | Confident | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.008 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -67.6 | -31.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F25 M390 T398 L438 | F25-A394 HydrophobicContact CB-CB 4.1Å; F25-A394 HydrophobicContact CD1-CB 3.67Å; F25-A394 HydrophobicContact CD2-CB 3.85Å; F25-A394 HydrophobicContact CE1-CB 4Å; F25-A394 HydrophobicContact CE2-CB 4.14Å; F25-A394 HydrophobicContact CG-CB 3.61Å; F25-A394 HydrophobicContact CZ-CB 4.23Å; M390-A394 WeakPolarHBondContact O-CB 3.49Å; M390-A394 PolarHBondContact O-N 3.43Å; A394-T398 WeakPolarHBondContact O-CB 3.32Å; A394-T398 PolarHBondContact O-N 3.32Å; A394-T398 PolarHBondContact O-OG1 2.97Å; A394-L438 HydrophobicContact CB-CD2 4.12Å |
| 395 | V | 87.9 | Confident | 89.1 | Confident | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.006 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62.8 | -47.6 | 172.7 | 177.6 | 0 | 0 | 0 | 0 | 109.8 | Q18 M21 F25 A391 A393 I397 T398 I399 Y810 | Q18-V395 HydrophobicContact CG-CG1 4.28Å; M21-V395 HydrophobicContact CB-CG2 4.09Å; F25-V395 HydrophobicContact CD2-CG2 3.79Å; F25-V395 HydrophobicContact CE2-CG2 4.19Å; A391-V395 VanDerWaalsContact O-CG2 3.29Å; A391-V395 WeakPolarHBondContact O-CG2 3.49Å; A393-V395 VanDerWaalsContact C-N 3.3Å; A393-V395 PolarHBondContact O-N 2.88Å; V395-I397 PolarHBondContact O-N 3.45Å; V395-T398 PolarHBondContact O-N 2.91Å; V395-I399 HydrophobicContact CG1-CD1 4.4Å; V395-I399 WeakPolarHBondContact O-CG1 3.47Å; V395-I399 PolarHBondContact O-N 3.19Å; V395-I399 VanDerWaalsContact O-N 3.16Å; V395-Y810 HydrophobicContact CG1-CE2 4.42Å |
| 396 | S | 86.2 | Confident | 89.2 | Confident | 7 Ų | 7 | 16.4 Ų | 16.4 | 5% | 0.049 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64.9 | -39.7 | -179.9 | -156.1 | 0 | 0 | 0 | 0 | 112.9 | E392 A393 T398 I399 T400 H807 | E392-S396 PolarHBondContact O-N 2.84Å; A393-S396 PolarHBondContact O-N 3.29Å; A393-S396 VanDerWaalsContact O-N 3.14Å; S396-T398 VanDerWaalsContact C-N 3.33Å; S396-I399 PolarHBondContact O-N 3.41Å; S396-T400 PolarHBondContact O-N 3.06Å; S396-H807 PolarHBondContact OG-CE1 3.5Å; S396-H807 VanDerWaalsContact OG-CE1 3.24Å; S396-H807 PolarHBondContact OG-ND1 3.25Å |
| 397 | I | 90 | Very high | 89.1 | Confident | 2 Ų | 2 | 16.7 Ų | 16.7 | 1% | 0.01 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -66.2 | -35.9 | 175.2 | -66.2 | 165.7 | 0 | 0 | 0 | 111.2 | N365 L368 M369 A393 V395 I399 T400 V401 F434 | N365-I397 HydrophobicContact CB-CD1 4.09Å; N365-I397 HydrophobicContact CB-CG1 4.22Å; N365-I397 HydrophobicContact CB-CG2 4.37Å; L368-I397 HydrophobicContact CD2-CD1 4.37Å; L368-I397 HydrophobicContact CD2-CG1 3.75Å; M369-I397 HydrophobicContact CG-CD1 3.56Å; M369-I397 HydrophobicContact SD-CD1 4.16Å; A393-I397 VanDerWaalsContact O-CG1 3.3Å; A393-I397 WeakPolarHBondContact O-CG1 3.47Å; A393-I397 PolarHBondContact O-N 2.92Å; V395-I397 PolarHBondContact O-N 3.45Å; I397-I399 VanDerWaalsContact C-N 3.29Å; I397-I399 PolarHBondContact O-N 3.35Å; I397-T400 WeakPolarHBondContact CA-OG1 3.36Å; I397-T400 PolarHBondContact O-N 3.02Å; I397-T400 PolarHBondContact O-OG1 3.21Å; I397-V401 HydrophobicContact CG2-CG2 4.08Å; I397-V401 WeakPolarHBondContact O-CB 3.21Å; I397-V401 VanDerWaalsContact O-CG2 3.29Å; I397-V401 WeakPolarHBondContact O-CG2 3.39Å; I397-V401 PolarHBondContact O-N 3Å; I397-F434 HydrophobicContact CG2-CD2 4.06Å; I397-F434 HydrophobicContact CG2-CE2 4.03Å |
| 398 | T | 90 | Very high | 89 | Confident | 19 Ų | 19 | 16.7 Ų | 16.7 | 12% | 0.117 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -66.1 | -36.1 | 178 | -55.8 | 0 | 0 | 0 | 0 | 111.2 | M21 F25 A394 V395 S396 L402 F434 | M21-T398 HydrophobicContact CE-CG2 3.65Å; F25-T398 WeakPolarHBondContact CZ-OG1 3.3Å; A394-T398 WeakPolarHBondContact O-CB 3.32Å; A394-T398 PolarHBondContact O-N 3.32Å; A394-T398 PolarHBondContact O-OG1 2.97Å; V395-T398 PolarHBondContact O-N 2.91Å; S396-T398 VanDerWaalsContact C-N 3.33Å; T398-L402 WeakPolarHBondContact O-CB 3.29Å; T398-L402 PolarHBondContact O-N 3.2Å; T398-F434 HydrophobicContact CG2-CZ 4.18Å |
| 399 | I | 84.8 | Confident | 89.2 | Confident | 7 Ų | 7 | 14.5 Ų | 14.5 | 4% | 0.036 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -62.6 | -46.9 | 176.9 | -64.7 | 164.4 | 0 | 0 | 0 | 110.7 | V395 S396 I397 T403 I750 F754 Y810 | V395-I399 HydrophobicContact CG1-CD1 4.4Å; V395-I399 WeakPolarHBondContact O-CG1 3.47Å; V395-I399 PolarHBondContact O-N 3.19Å; V395-I399 VanDerWaalsContact O-N 3.16Å; S396-I399 PolarHBondContact O-N 3.41Å; I397-I399 VanDerWaalsContact C-N 3.29Å; I397-I399 PolarHBondContact O-N 3.35Å; I399-T403 WeakPolarHBondContact O-CB 3.36Å; I399-T403 PolarHBondContact O-N 3.23Å; I399-T403 PolarHBondContact O-OG1 2.95Å; I399-I750 HydrophobicContact CG2-CG2 4.16Å; I399-F754 HydrophobicContact CD1-CB 3.6Å; I399-F754 HydrophobicContact CD1-CD1 3.86Å; I399-F754 HydrophobicContact CD1-CG 3.95Å; I399-F754 HydrophobicContact CG1-CB 3.73Å; I399-F754 HydrophobicContact CG1-CD1 3.45Å; I399-F754 VanDerWaalsContact CG1-CD1 3.45Å; I399-F754 HydrophobicContact CG1-CD2 4.16Å; I399-F754 HydrophobicContact CG1-CE1 3.95Å; I399-F754 HydrophobicContact CG1-CG 3.55Å; I399-Y810 HydrophobicContact CD1-CD2 4.36Å |
| 400 | T | 87.7 | Confident | 89.3 | Confident | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -67.9 | -48.7 | -179.1 | 52.2 | 0 | 0 | 0 | 0 | 111.6 | S396 I397 L402 T403 D404 D803 H807 | S396-T400 PolarHBondContact O-N 3.06Å; I397-T400 WeakPolarHBondContact CA-OG1 3.36Å; I397-T400 PolarHBondContact O-N 3.02Å; I397-T400 PolarHBondContact O-OG1 3.21Å; T400-L402 VanDerWaalsContact C-N 3.34Å; T400-L402 PolarHBondContact O-N 3.29Å; T400-T403 VanDerWaalsContact O-CB 3.3Å; T400-T403 WeakPolarHBondContact O-CB 3.4Å; T400-T403 PolarHBondContact O-N 3.28Å; T400-T403 VanDerWaalsContact O-N 3.13Å; T400-D404 PolarHBondContact O-N 3.48Å; T400-D803 WeakPolarHBondContact CB-OD1 3.43Å; T400-D803 HydrophobicContact CG2-CB 4.07Å; T400-D803 VanDerWaalsContact CG2-OD1 3.22Å; T400-D803 WeakPolarHBondContact CG2-OD1 3.21Å; T400-H807 WeakPolarHBondContact CG2-NE2 3.44Å |
| 401 | V | 91.2 | Very high | 89.2 | Confident | 2 Ų | 2 | 15.4 Ų | 15.4 | 1% | 0.012 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.7 | -42.7 | 177.2 | 169.7 | 0 | 0 | 0 | 0 | 112.1 | I397 T403 D404 I405 F434 | I397-V401 HydrophobicContact CG2-CG2 4.08Å; I397-V401 WeakPolarHBondContact O-CB 3.21Å; I397-V401 VanDerWaalsContact O-CG2 3.29Å; I397-V401 WeakPolarHBondContact O-CG2 3.39Å; I397-V401 PolarHBondContact O-N 3Å; V401-T403 VanDerWaalsContact C-N 3.29Å; V401-T403 PolarHBondContact O-N 2.9Å; V401-D404 PolarHBondContact O-N 3Å; V401-I405 HydrophobicContact CG1-CD1 3.58Å; V401-I405 HydrophobicContact CG1-CG1 4.28Å; V401-I405 WeakPolarHBondContact O-CB 3.26Å; V401-I405 WeakPolarHBondContact O-CD1 3.19Å; V401-I405 VanDerWaalsContact O-CG1 3.24Å; V401-I405 WeakPolarHBondContact O-CG1 3.49Å; V401-I405 PolarHBondContact O-N 2.99Å; V401-F434 HydrophobicContact CB-CB 4.41Å; V401-F434 HydrophobicContact CB-CD2 4.14Å; V401-F434 HydrophobicContact CB-CG 4.22Å; V401-F434 HydrophobicContact CG1-CB 3.63Å; V401-F434 HydrophobicContact CG1-CD1 4.01Å; V401-F434 HydrophobicContact CG1-CD2 4.1Å; V401-F434 HydrophobicContact CG1-CG 3.67Å; V401-F434 HydrophobicContact CG2-CB 4.05Å; V401-F434 HydrophobicContact CG2-CD2 3.74Å; V401-F434 HydrophobicContact CG2-CE2 4.45Å; V401-F434 HydrophobicContact CG2-CG 4.07Å |
| 402 | L | 89.3 | Confident | 89.5 | Confident | 56 Ų | 56 | 20 Ų | 20 | 29% | 0.293 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -65.1 | -38.3 | 178.5 | -178.3 | 62.9 | 0 | 0 | 0 | 111.2 | T398 T400 I406 F754 | T398-L402 WeakPolarHBondContact O-CB 3.29Å; T398-L402 PolarHBondContact O-N 3.2Å; T400-L402 VanDerWaalsContact C-N 3.34Å; T400-L402 PolarHBondContact O-N 3.29Å; L402-I406 HydrophobicContact CD1-CD1 3.81Å; L402-I406 HydrophobicContact CD1-CG1 4.25Å; L402-I406 HydrophobicContact CG-CD1 3.88Å; L402-I406 WeakPolarHBondContact O-CB 3.48Å; L402-I406 WeakPolarHBondContact O-CG1 3.41Å; L402-I406 PolarHBondContact O-N 3.41Å; L402-F754 HydrophobicContact CD2-CE2 3.83Å; L402-F754 HydrophobicContact CD2-CZ 4.13Å |
| 403 | T | 87.9 | Confident | 89.9 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.5 | -51.1 | 173.2 | -64.9 | 0 | 0 | 0 | 0 | 111 | I399 T400 V401 I405 I406 S407 M747 V802 | I399-T403 WeakPolarHBondContact O-CB 3.36Å; I399-T403 PolarHBondContact O-N 3.23Å; I399-T403 PolarHBondContact O-OG1 2.95Å; T400-T403 VanDerWaalsContact O-CB 3.3Å; T400-T403 WeakPolarHBondContact O-CB 3.4Å; T400-T403 PolarHBondContact O-N 3.28Å; T400-T403 VanDerWaalsContact O-N 3.13Å; V401-T403 VanDerWaalsContact C-N 3.29Å; V401-T403 PolarHBondContact O-N 2.9Å; T403-I405 PolarHBondContact O-N 3.42Å; T403-I406 PolarHBondContact O-N 3.09Å; T403-S407 VanDerWaalsContact O-CB 3.3Å; T403-S407 WeakPolarHBondContact O-CB 3.23Å; T403-S407 PolarHBondContact O-N 3.4Å; T403-S407 PolarHBondContact O-OG 2.96Å; T403-M747 HydrophobicContact CG2-CE 4.34Å; T403-M747 HydrophobicContact CG2-SD 3.15Å; T403-M747 WeakPolarHBondContact CG2-SD 3.38Å; T403-V802 HydrophobicContact CG2-CB 4.21Å; T403-V802 HydrophobicContact CG2-CG1 4.02Å |
| 404 | D | 90.1 | Very high | 90 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58.6 | -49 | 178.6 | -70.5 | -32.9 | 0 | 0 | 0 | 111.4 | R362 T400 V401 I406 S407 F408 M430 G799 | R362-D404 IonicContact CZ-OD2 3.45Å; R362-D404 IonicContact NH1-OD2 3.29Å; R362-D404 PolarHBondContact NH1-OD2 3.02Å; R362-D404 IonicContact NH2-OD2 3.2Å; R362-D404 PolarHBondContact NH2-OD2 3.11Å; T400-D404 PolarHBondContact O-N 3.48Å; V401-D404 PolarHBondContact O-N 3Å; D404-I406 VanDerWaalsContact C-N 3.33Å; D404-I406 PolarHBondContact O-N 3.02Å; D404-S407 PolarHBondContact O-N 3.21Å; D404-F408 HydrophobicContact CB-CD2 4.29Å; D404-F408 HydrophobicContact CB-CE2 4.19Å; D404-F408 WeakPolarHBondContact O-CD2 3.45Å; D404-F408 PolarHBondContact O-N 3.45Å; D404-M430 HydrophobicContact CB-CG 4.21Å; D404-G799 WeakPolarHBondContact OD1-CA 3.22Å |
| 405 | I | 92.7 | Very high | 90 | Very high | 31 Ų | 31 | 25 Ų | 25 | 16% | 0.159 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -58.2 | -47.4 | -178.8 | -73.2 | 166.4 | 0 | 0 | 0 | 110.5 | V401 T403 A409 M430 M431 | V401-I405 HydrophobicContact CG1-CD1 3.58Å; V401-I405 HydrophobicContact CG1-CG1 4.28Å; V401-I405 WeakPolarHBondContact O-CB 3.26Å; V401-I405 WeakPolarHBondContact O-CD1 3.19Å; V401-I405 VanDerWaalsContact O-CG1 3.24Å; V401-I405 WeakPolarHBondContact O-CG1 3.49Å; V401-I405 PolarHBondContact O-N 2.99Å; T403-I405 PolarHBondContact O-N 3.42Å; I405-A409 WeakPolarHBondContact O-CB 3.44Å; I405-A409 PolarHBondContact O-N 3.14Å; I405-M430 HydrophobicContact CG1-CB 4.02Å; I405-M431 HydrophobicContact CD1-CB 4.48Å; I405-M431 HydrophobicContact CD1-CG 3.49Å; I405-M431 VanDerWaalsContact CD1-CG 3.49Å; I405-M431 HydrophobicContact CG1-CG 3.95Å |
| 406 | I | 90.9 | Very high | 90.2 | Very high | 50 Ų | 50 | 25 Ų | 25 | 26% | 0.256 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -67.7 | -42.3 | -179.9 | -69.5 | 170.6 | 0 | 0 | 0 | 110.3 | L402 T403 D404 F408 A409 V410 C746 I750 | L402-I406 HydrophobicContact CD1-CD1 3.81Å; L402-I406 HydrophobicContact CD1-CG1 4.25Å; L402-I406 HydrophobicContact CG-CD1 3.88Å; L402-I406 WeakPolarHBondContact O-CB 3.48Å; L402-I406 WeakPolarHBondContact O-CG1 3.41Å; L402-I406 PolarHBondContact O-N 3.41Å; T403-I406 PolarHBondContact O-N 3.09Å; D404-I406 VanDerWaalsContact C-N 3.33Å; D404-I406 PolarHBondContact O-N 3.02Å; I406-F408 PolarHBondContact O-N 3.24Å; I406-A409 PolarHBondContact O-N 2.91Å; I406-A409 VanDerWaalsContact O-N 3.16Å; I406-V410 HydrophobicContact CG2-CG2 4.31Å; I406-V410 VanDerWaalsContact O-CG2 3.27Å; I406-V410 WeakPolarHBondContact O-CG2 3.4Å; I406-V410 PolarHBondContact O-N 2.95Å; I406-C746 HydrophobicContact CG2-CB 3.73Å; I406-C746 VanDerWaalsContact CG2-SG 3.57Å; I406-I750 HydrophobicContact CD1-CD1 3.8Å; I406-I750 HydrophobicContact CD1-CG1 4.29Å |
| 407 | S | 88.5 | Confident | 90.6 | Very high | 5 Ų | 5 | 25.5 Ų | 25.5 | 4% | 0.035 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.2 | -46.1 | 178.6 | -54.8 | 0 | 0 | 0 | 0 | 111.4 | T403 D404 V410 G411 | T403-S407 VanDerWaalsContact O-CB 3.3Å; T403-S407 WeakPolarHBondContact O-CB 3.23Å; T403-S407 PolarHBondContact O-N 3.4Å; T403-S407 PolarHBondContact O-OG 2.96Å; D404-S407 PolarHBondContact O-N 3.21Å; S407-V410 PolarHBondContact O-N 3.4Å; S407-G411 PolarHBondContact O-N 3.33Å |
| 408 | F | 92.1 | Very high | 90.8 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 0% | 0.004 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -70.7 | -33 | 174.6 | -68.5 | -60.1 | 0 | 0 | 0 | 112.8 | D404 I406 V410 G411 Y412 F422 C423 T426 C427 M430 I795 M796 | D404-F408 HydrophobicContact CB-CD2 4.29Å; D404-F408 HydrophobicContact CB-CE2 4.19Å; D404-F408 WeakPolarHBondContact O-CD2 3.45Å; D404-F408 PolarHBondContact O-N 3.45Å; I406-F408 PolarHBondContact O-N 3.24Å; F408-V410 VanDerWaalsContact C-N 3.29Å; F408-V410 PolarHBondContact O-N 3.37Å; F408-G411 PolarHBondContact O-N 3.25Å; F408-Y412 PolarHBondContact O-N 3.42Å; F408-Y412 VanDerWaalsContact O-N 3.16Å; F408-F422 HydrophobicContact CE1-CE1 4.13Å; F408-C423 HydrophobicContact CB-CB 4.48Å; F408-C423 WeakPolarHBondContact O-CB 3.47Å; F408-T426 HydrophobicContact CD1-CG2 4.19Å; F408-T426 HydrophobicContact CD2-CG2 3.73Å; F408-T426 HydrophobicContact CE1-CG2 3.92Å; F408-T426 HydrophobicContact CE2-CG2 3.46Å; F408-T426 VanDerWaalsContact CE2-CG2 3.46Å; F408-T426 HydrophobicContact CG-CG2 4.12Å; F408-T426 HydrophobicContact CZ-CG2 3.57Å; F408-C427 HydrophobicContact CB-CB 4.06Å; F408-M430 HydrophobicContact CD2-CG 4.47Å; F408-M430 HydrophobicContact CE2-CE 4.02Å; F408-M430 HydrophobicContact CE2-CG 4.45Å; F408-I795 HydrophobicContact CD1-CG2 4.03Å; F408-I795 HydrophobicContact CE1-CG2 4.19Å; F408-M796 HydrophobicContact CE1-CG 3.89Å; F408-M796 HydrophobicContact CZ-CG 3.97Å |
| 409 | A | 92.8 | Very high | 90.9 | Very high | 49 Ų | 49 | 24.5 Ų | 24.5 | 41% | 0.405 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -65.3 | -35.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | I405 I406 Y412 | I405-A409 WeakPolarHBondContact O-CB 3.44Å; I405-A409 PolarHBondContact O-N 3.14Å; I406-A409 PolarHBondContact O-N 2.91Å; I406-A409 VanDerWaalsContact O-N 3.16Å; A409-Y412 WeakPolarHBondContact O-CB 3.47Å; A409-Y412 PolarHBondContact O-N 2.83Å |
| 410 | V | 91.7 | Very high | 91.5 | Very high | 24 Ų | 24 | 25.6 Ų | 25.6 | 15% | 0.145 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -70.7 | -41.2 | 173.2 | 179.3 | 0 | 0 | 0 | 0 | 110.4 | I406 S407 F408 Y412 L413 E739 S742 | I406-V410 HydrophobicContact CG2-CG2 4.31Å; I406-V410 VanDerWaalsContact O-CG2 3.27Å; I406-V410 WeakPolarHBondContact O-CG2 3.4Å; I406-V410 PolarHBondContact O-N 2.95Å; S407-V410 PolarHBondContact O-N 3.4Å; F408-V410 VanDerWaalsContact C-N 3.29Å; F408-V410 PolarHBondContact O-N 3.37Å; V410-Y412 PolarHBondContact O-N 2.72Å; V410-L413 VanDerWaalsContact O-CB 3.28Å; V410-L413 WeakPolarHBondContact O-CB 3.45Å; V410-L413 WeakPolarHBondContact O-CG 3.49Å; V410-L413 PolarHBondContact O-N 3.49Å; V410-E739 VanDerWaalsContact C-OE2 3.29Å; V410-E739 WeakPolarHBondContact CG1-OE2 3.23Å; V410-S742 WeakPolarHBondContact CG1-OG 3.42Å |
| 411 | G | 90.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.6 | -20.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | S407 F408 L413 T414 E739 | S407-G411 PolarHBondContact O-N 3.33Å; F408-G411 PolarHBondContact O-N 3.25Å; G411-L413 PolarHBondContact O-N 3.01Å; G411-T414 VanDerWaalsContact O-CG2 3.31Å; G411-T414 WeakPolarHBondContact O-CG2 3.06Å; G411-T414 PolarHBondContact O-OG1 3.38Å; G411-E739 WeakPolarHBondContact CA-OE2 3.32Å; G411-E739 PolarHBondContact N-OE2 3.46Å; G411-E739 VanDerWaalsContact N-OE2 3.12Å |
| 412 | Y | 93 | Very high | 92 | Very high | 107 Ų | 107 | 26 Ų | 26 | 42% | 0.42 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -17.7 | 171.6 | -179.1 | -97.1 | 0 | 0 | 0 | 113.4 | F408 A409 V410 T414 Q420 L424 | F408-Y412 PolarHBondContact O-N 3.42Å; F408-Y412 VanDerWaalsContact O-N 3.16Å; A409-Y412 WeakPolarHBondContact O-CB 3.47Å; A409-Y412 PolarHBondContact O-N 2.83Å; V410-Y412 PolarHBondContact O-N 2.72Å; Y412-T414 PolarHBondContact O-N 3.32Å; Y412-Q420 HydrophobicContact CD2-CB 3.82Å; Y412-Q420 HydrophobicContact CD2-CG 4.33Å; Y412-Q420 WeakPolarHBondContact CD2-O 3.21Å; Y412-Q420 HydrophobicContact CE2-CB 3.88Å; Y412-Q420 HydrophobicContact CE2-CG 4.43Å; Y412-Q420 WeakPolarHBondContact O-CG 3.28Å; Y412-L424 HydrophobicContact CD2-CB 4.19Å; Y412-L424 HydrophobicContact CE2-CB 4.46Å |
| 413 | L | 90.9 | Very high | 92.3 | Very high | 116 Ų | 116 | 23.3 Ų | 23.3 | 61% | 0.607 | 12% | 0.123 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | 0.9 | 180 | -57.7 | 177.6 | 0 | 0 | 0 | 113.4 | V410 G411 | V410-L413 VanDerWaalsContact O-CB 3.28Å; V410-L413 WeakPolarHBondContact O-CB 3.45Å; V410-L413 WeakPolarHBondContact O-CG 3.49Å; V410-L413 PolarHBondContact O-N 3.49Å; G411-L413 PolarHBondContact O-N 3.01Å |
| 414 | T | 90.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -69.5 | 155.3 | 176.6 | 57.4 | 0 | 0 | 0 | 0 | 112.1 | G411 Y412 F416 V419 Q420 E739 M791 | G411-T414 VanDerWaalsContact O-CG2 3.31Å; G411-T414 WeakPolarHBondContact O-CG2 3.06Å; G411-T414 PolarHBondContact O-OG1 3.38Å; Y412-T414 PolarHBondContact O-N 3.32Å; T414-F416 PolarHBondContact O-N 2.96Å; T414-V419 HydrophobicContact CG2-CG1 4.33Å; T414-V419 WeakPolarHBondContact OG1-CG1 3.48Å; T414-Q420 WeakPolarHBondContact O-CG 3.47Å; T414-Q420 PolarHBondContact O-NE2 3.04Å; T414-E739 HydrophobicContact CG2-CG 3.74Å; T414-E739 WeakPolarHBondContact CG2-OE1 3.27Å; T414-M791 HydrophobicContact CG2-CE 4.45Å |
| 415 | D | 90.4 | Very high | 93 | Very high | 49 Ų | 49 | 25.8 Ų | 25.8 | 26% | 0.262 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -76.5 | -2.4 | 179.6 | -72.3 | -42.9 | 0 | 0 | 0 | 114.4 | P69 L70 N71 | P69-D415 WeakPolarHBondContact CA-O 3.32Å; P69-D415 HydrophobicContact CB-CB 4.07Å; L70-D415 WeakPolarHBondContact CG-O 3.31Å; L70-D415 PolarHBondContact N-O 3.33Å; N71-D415 PolarHBondContact ND2-OD1 2.91Å; N71-D415 PolarHBondContact ND2-OD2 3.29Å |
| 416 | F | 92.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | B | Isolated β-bridge | trans | -103.5 | 116.2 | -172.4 | -68.2 | -83.6 | 0 | 0 | 0 | 112.2 | Y67 P69 T414 A418 V419 Q420 Q728 Q731 V732 M791 | Y67-F416 WeakPolarHBondContact O-CD1 3.4Å; Y67-F416 WeakPolarHBondContact O-CE1 3.18Å; P69-F416 HydrophobicContact CB-CE1 4.28Å; P69-F416 HydrophobicContact CB-CZ 4.41Å; P69-F416 HydrophobicContact CG-CE1 4.34Å; P69-F416 HydrophobicContact CG-CZ 4.48Å; T414-F416 PolarHBondContact O-N 2.96Å; F416-A418 VanDerWaalsContact C-N 3.34Å; F416-A418 PolarHBondContact O-N 3.31Å; F416-V419 HydrophobicContact CB-CB 4.21Å; F416-V419 HydrophobicContact CB-CG2 3.95Å; F416-V419 PolarHBondContact O-N 2.94Å; F416-Q420 WeakPolarHBondContact O-CG 3.49Å; F416-Q420 PolarHBondContact O-N 3.16Å; F416-Q728 HydrophobicContact CE1-CB 4.16Å; F416-Q728 HydrophobicContact CE1-CG 3.8Å; F416-Q728 HydrophobicContact CZ-CG 4.15Å; F416-Q731 HydrophobicContact CE2-CB 4.42Å; F416-Q731 HydrophobicContact CZ-CB 4.18Å; F416-V732 HydrophobicContact CE2-CG2 4.44Å; F416-V732 HydrophobicContact CZ-CG2 3.87Å; F416-M791 HydrophobicContact CB-CE 4.18Å; F416-M791 HydrophobicContact CD2-CE 3.59Å; F416-M791 HydrophobicContact CD2-SD 4.48Å; F416-M791 HydrophobicContact CE2-CE 4.26Å; F416-M791 HydrophobicContact CG-CE 4.1Å |
| 417 | L | 94.2 | Very high | 93.3 | Very high | 18 Ų | 18 | 22.9 Ų | 22.9 | 9% | 0.094 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.8 | -38.9 | -175.4 | -177 | 61.3 | 0 | 0 | 0 | 113.3 | L60 R65 L70 V419 Q420 L421 | L60-L417 HydrophobicContact CD2-CD2 3.65Å; R65-L417 HydrophobicContact CG-CD2 3.99Å; L70-L417 HydrophobicContact CD2-CB 4.27Å; L417-V419 VanDerWaalsContact C-N 3.26Å; L417-V419 PolarHBondContact O-N 3.42Å; L417-Q420 PolarHBondContact O-N 2.83Å; L417-L421 HydrophobicContact CD1-CD1 4.36Å; L417-L421 HydrophobicContact CD1-CG 4.11Å; L417-L421 HydrophobicContact CG-CD1 4.14Å; L417-L421 HydrophobicContact CG-CG 4.32Å; L417-L421 VanDerWaalsContact O-CG 3.32Å; L417-L421 WeakPolarHBondContact O-CG 3.47Å; L417-L421 PolarHBondContact O-N 3.47Å |
| 418 | A | 93.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.6 | -40.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L66 Y67 F416 F422 | L66-A418 HydrophobicContact CB-CB 4.31Å; L66-A418 HydrophobicContact CD2-CB 4.48Å; L66-A418 WeakPolarHBondContact O-CB 3.48Å; L66-A418 PolarHBondContact O-N 3.1Å; Y67-A418 HydrophobicContact CD1-CB 4.22Å; Y67-A418 HydrophobicContact CE1-CB 4.14Å; F416-A418 VanDerWaalsContact C-N 3.34Å; F416-A418 PolarHBondContact O-N 3.31Å; A418-F422 WeakPolarHBondContact O-CB 3.48Å; A418-F422 PolarHBondContact O-N 3.46Å |
| 419 | V | 94 | Very high | 93.9 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -72.6 | -43 | 178.7 | -179.9 | 0 | 0 | 0 | 0 | 110.7 | T414 F416 L417 L421 F422 C423 C788 M791 I792 I795 | T414-V419 HydrophobicContact CG2-CG1 4.33Å; T414-V419 WeakPolarHBondContact OG1-CG1 3.48Å; F416-V419 HydrophobicContact CB-CB 4.21Å; F416-V419 HydrophobicContact CB-CG2 3.95Å; F416-V419 PolarHBondContact O-N 2.94Å; L417-V419 VanDerWaalsContact C-N 3.26Å; L417-V419 PolarHBondContact O-N 3.42Å; V419-L421 VanDerWaalsContact C-N 3.33Å; V419-L421 PolarHBondContact O-N 3.18Å; V419-F422 PolarHBondContact O-N 3.4Å; V419-C423 VanDerWaalsContact O-CB 3.27Å; V419-C423 WeakPolarHBondContact O-CB 3.31Å; V419-C423 PolarHBondContact O-N 3.08Å; V419-C423 PolarHBondContact O-SG 2.61Å; V419-C788 WeakPolarHBondContact CG2-SG 3.41Å; V419-M791 HydrophobicContact CB-CE 3.91Å; V419-M791 HydrophobicContact CG1-CE 4Å; V419-M791 HydrophobicContact CG2-CE 3.17Å; V419-I792 HydrophobicContact CB-CG1 4.14Å; V419-I792 HydrophobicContact CG1-CG1 4.12Å; V419-I792 HydrophobicContact CG2-CD1 3.87Å; V419-I792 HydrophobicContact CG2-CG1 3.52Å; V419-I795 HydrophobicContact CG1-CD1 3.54Å |
| 420 | Q | 95.4 | Very high | 94 | Very high | 29 Ų | 29 | 21.4 Ų | 21.4 | 14% | 0.136 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -55.2 | -48.9 | 174.3 | -67.2 | -175.8 | -6.8 | 0 | 0 | 111.6 | Y412 T414 F416 L417 C423 L424 | Y412-Q420 HydrophobicContact CD2-CB 3.82Å; Y412-Q420 HydrophobicContact CD2-CG 4.33Å; Y412-Q420 WeakPolarHBondContact CD2-O 3.21Å; Y412-Q420 HydrophobicContact CE2-CB 3.88Å; Y412-Q420 HydrophobicContact CE2-CG 4.43Å; Y412-Q420 WeakPolarHBondContact O-CG 3.28Å; T414-Q420 WeakPolarHBondContact O-CG 3.47Å; T414-Q420 PolarHBondContact O-NE2 3.04Å; F416-Q420 WeakPolarHBondContact O-CG 3.49Å; F416-Q420 PolarHBondContact O-N 3.16Å; L417-Q420 PolarHBondContact O-N 2.83Å; Q420-C423 PolarHBondContact O-N 3.03Å; Q420-L424 VanDerWaalsContact O-CB 3.29Å; Q420-L424 WeakPolarHBondContact O-CB 3.17Å; Q420-L424 PolarHBondContact O-N 2.98Å |
| 421 | L | 95.8 | Very high | 94.2 | Very high | 10 Ų | 10 | 24.9 Ų | 24.9 | 5% | 0.052 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.9 | -49.6 | 178.2 | -68 | 176.3 | 0 | 0 | 0 | 110.8 | L60 L66 V345 Y346 C348 V351 L417 V419 C423 L424 Y425 | L60-L421 HydrophobicContact CD2-CD1 4.44Å; L66-L421 HydrophobicContact CD2-CD1 4.22Å; V345-L421 HydrophobicContact CG1-CD2 3.85Å; Y346-L421 WeakPolarHBondContact O-CD2 3.33Å; C348-L421 HydrophobicContact CB-CD1 4.41Å; V351-L421 HydrophobicContact CG2-CB 4.16Å; L417-L421 HydrophobicContact CD1-CD1 4.36Å; L417-L421 HydrophobicContact CD1-CG 4.11Å; L417-L421 HydrophobicContact CG-CD1 4.14Å; L417-L421 HydrophobicContact CG-CG 4.32Å; L417-L421 VanDerWaalsContact O-CG 3.32Å; L417-L421 WeakPolarHBondContact O-CG 3.47Å; L417-L421 PolarHBondContact O-N 3.47Å; V419-L421 VanDerWaalsContact C-N 3.33Å; V419-L421 PolarHBondContact O-N 3.18Å; L421-C423 VanDerWaalsContact C-N 3.32Å; L421-C423 PolarHBondContact O-N 2.76Å; L421-L424 PolarHBondContact O-N 3.32Å; L421-Y425 VanDerWaalsContact O-CD2 3.28Å; L421-Y425 WeakPolarHBondContact O-CD2 3.5Å; L421-Y425 PolarHBondContact O-N 3.18Å |
| 422 | F | 95.2 | Very high | 94.4 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 0% | 0.004 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -55.7 | -47.2 | 177.5 | -179.1 | -87.3 | 0 | 0 | 0 | 112.4 | V350 M354 L357 F408 A418 V419 Y425 T426 I792 M796 | V350-F422 HydrophobicContact CG1-CD2 4.15Å; M354-F422 HydrophobicContact CB-CE2 4.09Å; L357-F422 HydrophobicContact CD1-CZ 3.93Å; F408-F422 HydrophobicContact CE1-CE1 4.13Å; A418-F422 WeakPolarHBondContact O-CB 3.48Å; A418-F422 PolarHBondContact O-N 3.46Å; V419-F422 PolarHBondContact O-N 3.4Å; F422-Y425 PolarHBondContact O-N 2.88Å; F422-T426 WeakPolarHBondContact CE1-OG1 3.45Å; F422-T426 VanDerWaalsContact O-CB 3.29Å; F422-T426 WeakPolarHBondContact O-CB 3.43Å; F422-T426 PolarHBondContact O-N 3.03Å; F422-T426 PolarHBondContact O-OG1 3.12Å; F422-I792 HydrophobicContact CB-CD1 4.18Å; F422-I792 HydrophobicContact CD1-CG2 3.35Å; F422-I792 HydrophobicContact CD2-CG2 4.04Å; F422-I792 HydrophobicContact CE1-CG2 3.34Å; F422-I792 HydrophobicContact CE2-CG2 4.02Å; F422-I792 HydrophobicContact CG-CD1 4.37Å; F422-I792 HydrophobicContact CG-CG2 3.71Å; F422-I792 HydrophobicContact CZ-CG2 3.68Å; F422-M796 HydrophobicContact CE1-CG 4.15Å; F422-M796 HydrophobicContact CE1-SD 4.07Å; F422-M796 HydrophobicContact CZ-CG 4.42Å; F422-M796 HydrophobicContact CZ-SD 3.82Å |
| 423 | C | 95.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64.2 | -42.6 | 179.9 | -71.4 | 0 | 0 | 0 | 0 | 111.9 | F408 V419 Q420 L421 T426 C427 | F408-C423 HydrophobicContact CB-CB 4.48Å; F408-C423 WeakPolarHBondContact O-CB 3.47Å; V419-C423 VanDerWaalsContact O-CB 3.27Å; V419-C423 WeakPolarHBondContact O-CB 3.31Å; V419-C423 PolarHBondContact O-N 3.08Å; V419-C423 PolarHBondContact O-SG 2.61Å; Q420-C423 PolarHBondContact O-N 3.03Å; L421-C423 VanDerWaalsContact C-N 3.32Å; L421-C423 PolarHBondContact O-N 2.76Å; C423-T426 PolarHBondContact O-N 2.97Å; C423-C427 WeakPolarHBondContact O-CB 3.29Å; C423-C427 PolarHBondContact O-N 2.67Å |
| 424 | L | 96.3 | Very high | 94.7 | Very high | 51 Ų | 51 | 16.2 Ų | 16.2 | 27% | 0.267 | 9% | 0.085 | S | C | . | . | H | α-helix | trans | -62.4 | -50 | 177.1 | 178.1 | 61.3 | 0 | 0 | 0 | 111.9 | L340 V345 Y412 Q420 L421 T426 C427 V428 | L340-L424 HydrophobicContact CD1-CG 4.34Å; L340-L424 HydrophobicContact CD2-CD1 4.44Å; L340-L424 HydrophobicContact CD2-CD2 4.26Å; L340-L424 HydrophobicContact CD2-CG 4.16Å; V345-L424 HydrophobicContact CG1-CD2 3.87Å; V345-L424 HydrophobicContact CG2-CD2 4.37Å; Y412-L424 HydrophobicContact CD2-CB 4.19Å; Y412-L424 HydrophobicContact CE2-CB 4.46Å; Q420-L424 VanDerWaalsContact O-CB 3.29Å; Q420-L424 WeakPolarHBondContact O-CB 3.17Å; Q420-L424 PolarHBondContact O-N 2.98Å; L421-L424 PolarHBondContact O-N 3.32Å; L424-T426 VanDerWaalsContact C-N 3.35Å; L424-T426 PolarHBondContact O-N 3.19Å; L424-C427 PolarHBondContact O-N 3.33Å; L424-V428 WeakPolarHBondContact O-CG2 3.39Å; L424-V428 PolarHBondContact O-N 3.4Å; L424-V428 VanDerWaalsContact O-N 3.13Å |
| 425 | Y | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62 | -43.5 | 178.1 | -85.7 | -92.7 | 0 | 0 | 0 | 111.7 | V337 L340 V345 Y346 F347 V351 L421 F422 V428 A429 | V337-Y425 HydrophobicContact CB-CE1 4.42Å; V337-Y425 HydrophobicContact CG1-CE1 4.34Å; V337-Y425 HydrophobicContact CG2-CD1 4.12Å; V337-Y425 HydrophobicContact CG2-CE1 4.36Å; L340-Y425 HydrophobicContact CB-CD1 4.26Å; L340-Y425 HydrophobicContact CB-CE1 3.7Å; L340-Y425 HydrophobicContact CB-CE2 4.5Å; L340-Y425 HydrophobicContact CD1-CD1 3.48Å; L340-Y425 VanDerWaalsContact CD1-CD1 3.48Å; L340-Y425 HydrophobicContact CD1-CD2 4Å; L340-Y425 HydrophobicContact CD1-CE1 3.8Å; L340-Y425 HydrophobicContact CD1-CE2 4.29Å; L340-Y425 HydrophobicContact CD1-CG 3.59Å; L340-Y425 HydrophobicContact CG-CE1 4.41Å; V345-Y425 HydrophobicContact CG1-CE2 3.71Å; V345-Y425 PolarHBondContact O-OH 3.46Å; Y346-Y425 VanDerWaalsContact O-CE2 3.31Å; Y346-Y425 WeakPolarHBondContact O-CE2 3.17Å; Y346-Y425 PolarHBondContact O-OH 3.48Å; F347-Y425 HydrophobicContact CD2-CE1 4.21Å; V351-Y425 HydrophobicContact CG1-CD1 3.86Å; V351-Y425 HydrophobicContact CG1-CD2 3.87Å; V351-Y425 HydrophobicContact CG1-CE1 4.38Å; V351-Y425 HydrophobicContact CG1-CE2 4.39Å; V351-Y425 HydrophobicContact CG1-CG 3.58Å; V351-Y425 HydrophobicContact CG2-CD2 3.99Å; V351-Y425 HydrophobicContact CG2-CE2 4.5Å; V351-Y425 HydrophobicContact CG2-CG 4.43Å; L421-Y425 VanDerWaalsContact O-CD2 3.28Å; L421-Y425 WeakPolarHBondContact O-CD2 3.5Å; L421-Y425 PolarHBondContact O-N 3.18Å; F422-Y425 PolarHBondContact O-N 2.88Å; Y425-V428 PolarHBondContact O-N 3.36Å; Y425-A429 VanDerWaalsContact O-CB 3.28Å; Y425-A429 WeakPolarHBondContact O-CB 3.43Å; Y425-A429 PolarHBondContact O-N 2.89Å |
| 426 | T | 95.2 | Very high | 95.2 | Very high | 2 Ų | 2 | 18.7 Ų | 18.7 | 1% | 0.012 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -66.8 | -43 | -180 | -53.7 | 0 | 0 | 0 | 0 | 111.3 | M354 V358 F408 F422 C423 L424 V428 A429 M430 | M354-T426 HydrophobicContact CG-CG2 4.47Å; M354-T426 WeakPolarHBondContact CG-OG1 3.27Å; V358-T426 HydrophobicContact CG2-CG2 4.11Å; F408-T426 HydrophobicContact CD1-CG2 4.19Å; F408-T426 HydrophobicContact CD2-CG2 3.73Å; F408-T426 HydrophobicContact CE1-CG2 3.92Å; F408-T426 HydrophobicContact CE2-CG2 3.46Å; F408-T426 VanDerWaalsContact CE2-CG2 3.46Å; F408-T426 HydrophobicContact CG-CG2 4.12Å; F408-T426 HydrophobicContact CZ-CG2 3.57Å; F422-T426 WeakPolarHBondContact CE1-OG1 3.45Å; F422-T426 VanDerWaalsContact O-CB 3.29Å; F422-T426 WeakPolarHBondContact O-CB 3.43Å; F422-T426 PolarHBondContact O-N 3.03Å; F422-T426 PolarHBondContact O-OG1 3.12Å; C423-T426 PolarHBondContact O-N 2.97Å; L424-T426 VanDerWaalsContact C-N 3.35Å; L424-T426 PolarHBondContact O-N 3.19Å; T426-V428 PolarHBondContact O-N 3.12Å; T426-A429 CarbonylContact O-C 3.52Å; T426-A429 PolarHBondContact O-N 3.3Å; T426-M430 HydrophobicContact CG2-CE 4.17Å; T426-M430 HydrophobicContact CG2-CG 4.32Å; T426-M430 VanDerWaalsContact O-CG 3.29Å; T426-M430 WeakPolarHBondContact O-CG 3.49Å; T426-M430 PolarHBondContact O-N 3.21Å |
| 427 | C | 95.4 | Very high | 95.2 | Very high | 18 Ų | 18 | 18.9 Ų | 18.9 | 12% | 0.122 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -56.8 | -49.9 | 176.6 | -179.1 | 0 | 0 | 0 | 0 | 111.6 | F408 C423 L424 A429 M430 M431 | F408-C427 HydrophobicContact CB-CB 4.06Å; C423-C427 WeakPolarHBondContact O-CB 3.29Å; C423-C427 PolarHBondContact O-N 2.67Å; L424-C427 PolarHBondContact O-N 3.33Å; C427-A429 VanDerWaalsContact C-N 3.35Å; C427-A429 PolarHBondContact O-N 3.23Å; C427-M430 PolarHBondContact O-N 2.82Å; C427-M431 WeakPolarHBondContact O-CG 3.43Å; C427-M431 PolarHBondContact O-N 3.33Å |
| 428 | V | 96.6 | Very high | 95.2 | Very high | 24 Ų | 24 | 18.9 Ų | 18.9 | 15% | 0.145 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65.3 | -38.8 | 177.1 | 179.7 | 0 | 0 | 0 | 0 | 111.3 | A336 L339 L340 L424 Y425 T426 M430 M431 T432 | A336-V428 HydrophobicContact CB-CB 4.11Å; A336-V428 HydrophobicContact CB-CG1 3.71Å; L339-V428 HydrophobicContact CD2-CG1 4.23Å; L340-V428 HydrophobicContact CD1-CB 4.13Å; L340-V428 HydrophobicContact CD1-CG2 4.09Å; L340-V428 HydrophobicContact CD2-CG2 4.23Å; L340-V428 HydrophobicContact CG-CG2 4.38Å; L424-V428 WeakPolarHBondContact O-CG2 3.39Å; L424-V428 PolarHBondContact O-N 3.4Å; L424-V428 VanDerWaalsContact O-N 3.13Å; Y425-V428 PolarHBondContact O-N 3.36Å; T426-V428 PolarHBondContact O-N 3.12Å; V428-M430 VanDerWaalsContact C-N 3.34Å; V428-M430 PolarHBondContact O-N 3.48Å; V428-M431 PolarHBondContact O-N 3.41Å; V428-T432 HydrophobicContact CG1-CG2 4.32Å; V428-T432 WeakPolarHBondContact O-CG2 3.48Å; V428-T432 PolarHBondContact O-N 2.71Å; V428-T432 PolarHBondContact O-OG1 3.34Å; V428-T432 VanDerWaalsContact O-OG1 3.11Å |
| 429 | A | 96.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.4 | -36.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | V333 A336 M354 V358 Y425 T426 C427 T432 S433 | V333-A429 HydrophobicContact CG2-CB 4.41Å; A336-A429 HydrophobicContact CB-CB 3.79Å; M354-A429 HydrophobicContact CE-CB 4.03Å; M354-A429 HydrophobicContact SD-CB 3.91Å; V358-A429 HydrophobicContact CG1-CB 4.3Å; V358-A429 HydrophobicContact CG2-CB 4.33Å; Y425-A429 VanDerWaalsContact O-CB 3.28Å; Y425-A429 WeakPolarHBondContact O-CB 3.43Å; Y425-A429 PolarHBondContact O-N 2.89Å; T426-A429 CarbonylContact O-C 3.52Å; T426-A429 PolarHBondContact O-N 3.3Å; C427-A429 VanDerWaalsContact C-N 3.35Å; C427-A429 PolarHBondContact O-N 3.23Å; A429-T432 WeakPolarHBondContact CA-OG1 3.27Å; A429-T432 PolarHBondContact O-OG1 3.01Å; A429-S433 WeakPolarHBondContact O-CB 3.36Å; A429-S433 PolarHBondContact O-N 3.38Å; A429-S433 PolarHBondContact O-OG 2.82Å |
| 430 | M | 94.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.8 | -42 | 173.1 | -67.6 | -47.6 | -165.7 | 0 | 0 | 111.2 | V358 R362 D404 I405 F408 T426 C427 V428 S433 F434 F800 | V358-M430 HydrophobicContact CG1-SD 4.07Å; V358-M430 HydrophobicContact CG2-CE 4.15Å; V358-M430 HydrophobicContact CG2-SD 4.28Å; R362-M430 HydrophobicContact CG-SD 4.35Å; R362-M430 PolarHBondContact NH1-SD 3.15Å; D404-M430 HydrophobicContact CB-CG 4.21Å; I405-M430 HydrophobicContact CG1-CB 4.02Å; F408-M430 HydrophobicContact CD2-CG 4.47Å; F408-M430 HydrophobicContact CE2-CE 4.02Å; F408-M430 HydrophobicContact CE2-CG 4.45Å; T426-M430 HydrophobicContact CG2-CE 4.17Å; T426-M430 HydrophobicContact CG2-CG 4.32Å; T426-M430 VanDerWaalsContact O-CG 3.29Å; T426-M430 WeakPolarHBondContact O-CG 3.49Å; T426-M430 PolarHBondContact O-N 3.21Å; C427-M430 PolarHBondContact O-N 2.82Å; V428-M430 VanDerWaalsContact C-N 3.34Å; V428-M430 PolarHBondContact O-N 3.48Å; M430-S433 WeakPolarHBondContact CA-OG 3.32Å; M430-S433 PolarHBondContact O-OG 3.06Å; M430-S433 VanDerWaalsContact O-OG 3.08Å; M430-F434 VanDerWaalsContact O-CB 3.26Å; M430-F434 WeakPolarHBondContact O-CB 3.47Å; M430-F434 PolarHBondContact O-N 3.43Å; M430-F800 HydrophobicContact CE-CE1 4.08Å |
| 431 | M | 95.2 | Very high | 95.3 | Very high | 97 Ų | 97 | 18.9 Ų | 18.9 | 48% | 0.478 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -62.3 | -49 | 176.1 | -69.9 | 178.2 | 74.7 | 0 | 0 | 112.5 | I405 C427 V428 M435 | I405-M431 HydrophobicContact CD1-CB 4.48Å; I405-M431 HydrophobicContact CD1-CG 3.49Å; I405-M431 VanDerWaalsContact CD1-CG 3.49Å; I405-M431 HydrophobicContact CG1-CG 3.95Å; C427-M431 WeakPolarHBondContact O-CG 3.43Å; C427-M431 PolarHBondContact O-N 3.33Å; V428-M431 PolarHBondContact O-N 3.41Å; M431-M435 WeakPolarHBondContact O-CG 3.46Å; M431-M435 PolarHBondContact O-N 2.89Å; M431-M435 VanDerWaalsContact O-N 3.13Å |
| 432 | T | 96.2 | Very high | 95.3 | Very high | 17 Ų | 17 | 18.5 Ų | 18.5 | 10% | 0.104 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -68.4 | -42.1 | -178.8 | 54.8 | 0 | 0 | 0 | 0 | 111.7 | G332 T335 V428 A429 F434 M435 F436 | G332-T432 VanDerWaalsContact C-OG1 3.28Å; G332-T432 WeakPolarHBondContact CA-OG1 3.37Å; G332-T432 PolarHBondContact O-OG1 3.46Å; T335-T432 HydrophobicContact CG2-CG2 3.97Å; V428-T432 HydrophobicContact CG1-CG2 4.32Å; V428-T432 WeakPolarHBondContact O-CG2 3.48Å; V428-T432 PolarHBondContact O-N 2.71Å; V428-T432 PolarHBondContact O-OG1 3.34Å; V428-T432 VanDerWaalsContact O-OG1 3.11Å; A429-T432 WeakPolarHBondContact CA-OG1 3.27Å; A429-T432 PolarHBondContact O-OG1 3.01Å; T432-F434 PolarHBondContact O-N 3.29Å; T432-M435 PolarHBondContact O-N 3.2Å; T432-F436 VanDerWaalsContact O-CG 3.31Å; T432-F436 WeakPolarHBondContact O-CG 3.17Å; T432-F436 PolarHBondContact O-N 3.17Å |
| 433 | S | 94.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.9 | -39.3 | 177.3 | 62.1 | 0 | 0 | 0 | 0 | 112.2 | A429 M430 F436 Q437 | A429-S433 WeakPolarHBondContact O-CB 3.36Å; A429-S433 PolarHBondContact O-N 3.38Å; A429-S433 PolarHBondContact O-OG 2.82Å; M430-S433 WeakPolarHBondContact CA-OG 3.32Å; M430-S433 PolarHBondContact O-OG 3.06Å; M430-S433 VanDerWaalsContact O-OG 3.08Å; S433-F436 PolarHBondContact O-N 3.35Å; S433-Q437 WeakPolarHBondContact O-CG 3.45Å; S433-Q437 PolarHBondContact O-N 2.85Å |
| 434 | F | 95.1 | Very high | 95.2 | Very high | 24 Ų | 24 | 21.7 Ų | 21.7 | 11% | 0.105 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.7 | -44.4 | 174.3 | 173.7 | -121.4 | 0 | 0 | 0 | 112.7 | I397 T398 V401 M430 T432 F436 Q437 L438 | I397-F434 HydrophobicContact CG2-CD2 4.06Å; I397-F434 HydrophobicContact CG2-CE2 4.03Å; T398-F434 HydrophobicContact CG2-CZ 4.18Å; V401-F434 HydrophobicContact CB-CB 4.41Å; V401-F434 HydrophobicContact CB-CD2 4.14Å; V401-F434 HydrophobicContact CB-CG 4.22Å; V401-F434 HydrophobicContact CG1-CB 3.63Å; V401-F434 HydrophobicContact CG1-CD1 4.01Å; V401-F434 HydrophobicContact CG1-CD2 4.1Å; V401-F434 HydrophobicContact CG1-CG 3.67Å; V401-F434 HydrophobicContact CG2-CB 4.05Å; V401-F434 HydrophobicContact CG2-CD2 3.74Å; V401-F434 HydrophobicContact CG2-CE2 4.45Å; V401-F434 HydrophobicContact CG2-CG 4.07Å; M430-F434 VanDerWaalsContact O-CB 3.26Å; M430-F434 WeakPolarHBondContact O-CB 3.47Å; M430-F434 PolarHBondContact O-N 3.43Å; T432-F434 PolarHBondContact O-N 3.29Å; F434-F436 VanDerWaalsContact C-N 3.25Å; F434-F436 PolarHBondContact O-N 2.67Å; F434-Q437 PolarHBondContact O-N 3.31Å; F434-L438 HydrophobicContact CD2-CD1 4.34Å; F434-L438 HydrophobicContact CD2-CG 4.36Å; F434-L438 HydrophobicContact CE1-CD1 3.93Å; F434-L438 HydrophobicContact CE2-CD1 3.67Å; F434-L438 HydrophobicContact CE2-CD2 4.44Å; F434-L438 HydrophobicContact CE2-CG 3.97Å; F434-L438 HydrophobicContact CZ-CD1 3.43Å; F434-L438 VanDerWaalsContact CZ-CD1 3.43Å; F434-L438 HydrophobicContact CZ-CG 4.25Å; F434-L438 PolarHBondContact O-N 3.36Å; F434-L438 VanDerWaalsContact O-N 3.1Å |
| 435 | M | 95.1 | Very high | 95.1 | Very high | 94 Ų | 94 | 19.3 Ų | 19.3 | 46% | 0.463 | 10% | 0.098 | S | C | . | . | H | α-helix | trans | -58.4 | -40.1 | 174 | -70.2 | -62.3 | 102.7 | 0 | 0 | 111.4 | M431 T432 L438 T439 | M431-M435 WeakPolarHBondContact O-CG 3.46Å; M431-M435 PolarHBondContact O-N 2.89Å; M431-M435 VanDerWaalsContact O-N 3.13Å; T432-M435 PolarHBondContact O-N 3.2Å; M435-L438 PolarHBondContact O-N 2.93Å; M435-T439 WeakPolarHBondContact O-CB 3.39Å; M435-T439 WeakPolarHBondContact O-CG2 3.5Å; M435-T439 PolarHBondContact O-N 3.18Å; M435-T439 PolarHBondContact O-OG1 3.43Å |
| 436 | F | 95.8 | Very high | 94.9 | Very high | 8 Ų | 8 | 19.3 Ų | 19.3 | 4% | 0.035 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -73.4 | -31.5 | 178.3 | -63.1 | -12.4 | 0 | 0 | 0 | 113.3 | P43 F46 T47 S328 M331 T335 T432 S433 F434 T439 L440 L441 | P43-F436 HydrophobicContact CB-CD1 3.69Å; P43-F436 HydrophobicContact CB-CE1 3.78Å; P43-F436 HydrophobicContact CB-CG 4.34Å; P43-F436 HydrophobicContact CB-CZ 4.48Å; P43-F436 HydrophobicContact CG-CD1 4.26Å; F46-F436 HydrophobicContact CD1-CE1 4.17Å; F46-F436 HydrophobicContact CD1-CZ 4.04Å; T47-F436 VanDerWaalsContact OG1-CE2 3.24Å; T47-F436 WeakPolarHBondContact OG1-CE2 3.34Å; T47-F436 VanDerWaalsContact OG1-CZ 3.27Å; T47-F436 WeakPolarHBondContact OG1-CZ 3.44Å; S328-F436 WeakPolarHBondContact OG-CB 3.41Å; M331-F436 HydrophobicContact CB-CD2 3.94Å; M331-F436 HydrophobicContact CB-CE2 3.92Å; T335-F436 HydrophobicContact CG2-CZ 4.36Å; T432-F436 VanDerWaalsContact O-CG 3.31Å; T432-F436 WeakPolarHBondContact O-CG 3.17Å; T432-F436 PolarHBondContact O-N 3.17Å; S433-F436 PolarHBondContact O-N 3.35Å; F434-F436 VanDerWaalsContact C-N 3.25Å; F434-F436 PolarHBondContact O-N 2.67Å; F436-T439 WeakPolarHBondContact CA-OG1 3.34Å; F436-T439 PolarHBondContact O-N 3.27Å; F436-L440 HydrophobicContact CB-CB 4.46Å; F436-L440 WeakPolarHBondContact O-CA 3.24Å; F436-L440 VanDerWaalsContact O-CB 3.26Å; F436-L440 WeakPolarHBondContact O-CB 3.45Å; F436-L440 PolarHBondContact O-N 3.18Å; F436-L441 PolarHBondContact O-N 3.12Å; F436-L441 VanDerWaalsContact O-N 3.08Å |
| 437 | Q | 93.6 | Very high | 94.7 | Very high | 4 Ų | 4 | 20.9 Ų | 20.9 | 2% | 0.019 | 11% | 0.106 | C | C | . | . | I | π-helix | trans | -62.4 | -44.2 | 171.3 | -74.1 | 173.2 | -6.4 | 0 | 0 | 111.6 | R362 N365 S433 F434 T439 L441 L442 | R362-Q437 PolarHBondContact O-NE2 2.84Å; N365-Q437 PolarHBondContact ND2-NE2 3.06Å; N365-Q437 PolarHBondContact ND2-OE1 3.01Å; S433-Q437 WeakPolarHBondContact O-CG 3.45Å; S433-Q437 PolarHBondContact O-N 2.85Å; F434-Q437 PolarHBondContact O-N 3.31Å; Q437-T439 VanDerWaalsContact C-N 3.34Å; Q437-T439 PolarHBondContact O-N 3.24Å; Q437-L441 HydrophobicContact CG-CD2 4.49Å; Q437-L441 WeakPolarHBondContact O-CB 3.33Å; Q437-L442 PolarHBondContact O-N 2.89Å; Q437-L442 VanDerWaalsContact O-N 3.15Å |
| 438 | L | 93.8 | Very high | 94.4 | Very high | 17 Ų | 17 | 20.7 Ų | 20.7 | 9% | 0.089 | 10% | 0.104 | C | C | . | . | I | π-helix | trans | -74.5 | -21.5 | 179.2 | -67.1 | -177.5 | 0 | 0 | 0 | 113.9 | F25 Y28 A394 F434 M435 L442 | F25-L438 HydrophobicContact CE1-CD1 3.95Å; F25-L438 HydrophobicContact CE1-CD2 4.3Å; Y28-L438 HydrophobicContact CE1-CB 4.32Å; Y28-L438 WeakPolarHBondContact CE1-O 3.37Å; Y28-L438 PolarHBondContact OH-O 3.42Å; A394-L438 HydrophobicContact CB-CD2 4.12Å; F434-L438 HydrophobicContact CD2-CD1 4.34Å; F434-L438 HydrophobicContact CD2-CG 4.36Å; F434-L438 HydrophobicContact CE1-CD1 3.93Å; F434-L438 HydrophobicContact CE2-CD1 3.67Å; F434-L438 HydrophobicContact CE2-CD2 4.44Å; F434-L438 HydrophobicContact CE2-CG 3.97Å; F434-L438 HydrophobicContact CZ-CD1 3.43Å; F434-L438 VanDerWaalsContact CZ-CD1 3.43Å; F434-L438 HydrophobicContact CZ-CG 4.25Å; F434-L438 PolarHBondContact O-N 3.36Å; F434-L438 VanDerWaalsContact O-N 3.1Å; M435-L438 PolarHBondContact O-N 2.93Å; L438-L442 VanDerWaalsContact O-CB 3.27Å; L438-L442 WeakPolarHBondContact O-CB 3.35Å; L438-L442 WeakPolarHBondContact O-CD2 3.32Å |
| 439 | T | 94.5 | Very high | 94 | Very high | 25 Ų | 25 | 19.5 Ų | 19.5 | 15% | 0.153 | 10% | 0.097 | C | C | . | . | I | π-helix | trans | -105.1 | -70.4 | -178.3 | 53.2 | 0 | 0 | 0 | 0 | 111.8 | Y28 F39 P43 M435 F436 Q437 G443 | Y28-T439 VanDerWaalsContact OH-CG2 3.31Å; Y28-T439 WeakPolarHBondContact OH-CG2 3.45Å; F39-T439 HydrophobicContact CD1-CG2 4.12Å; F39-T439 CarbonylContact O-C 3.6Å; P43-T439 VanDerWaalsContact CG-OG1 3.24Å; P43-T439 WeakPolarHBondContact CG-OG1 3.13Å; M435-T439 WeakPolarHBondContact O-CB 3.39Å; M435-T439 WeakPolarHBondContact O-CG2 3.5Å; M435-T439 PolarHBondContact O-N 3.18Å; M435-T439 PolarHBondContact O-OG1 3.43Å; F436-T439 WeakPolarHBondContact CA-OG1 3.34Å; F436-T439 PolarHBondContact O-N 3.27Å; Q437-T439 VanDerWaalsContact C-N 3.34Å; Q437-T439 PolarHBondContact O-N 3.24Å; T439-G443 PolarHBondContact O-N 3.05Å |
| 440 | L | 95 | Very high | 93.7 | Very high | 4 Ų | 4 | 23.5 Ų | 23.5 | 2% | 0.021 | 11% | 0.112 | C | C | . | . | I | π-helix | trans | -64.6 | -56.2 | -175.2 | -176.9 | 66.4 | 0 | 0 | 0 | 112 | F39 I40 P43 I44 M331 F436 G443 F444 | F39-L440 PolarHBondContact O-N 2.98Å; I40-L440 HydrophobicContact CB-CD1 4.19Å; I40-L440 HydrophobicContact CG1-CD1 4.4Å; I40-L440 HydrophobicContact CG2-CD1 3.81Å; I40-L440 WeakPolarHBondContact O-CD1 3.31Å; P43-L440 HydrophobicContact CB-CB 4.16Å; P43-L440 HydrophobicContact CG-CB 4.17Å; I44-L440 HydrophobicContact CD1-CD1 4.26Å; I44-L440 HydrophobicContact CG1-CD1 4.18Å; M331-L440 HydrophobicContact CE-CD2 3.86Å; M331-L440 HydrophobicContact SD-CD2 3.62Å; F436-L440 HydrophobicContact CB-CB 4.46Å; F436-L440 WeakPolarHBondContact O-CA 3.24Å; F436-L440 VanDerWaalsContact O-CB 3.26Å; F436-L440 WeakPolarHBondContact O-CB 3.45Å; F436-L440 PolarHBondContact O-N 3.18Å; L440-G443 PolarHBondContact O-N 3.48Å; L440-F444 HydrophobicContact CD1-CD2 4.19Å; L440-F444 HydrophobicContact CD1-CE2 3.56Å; L440-F444 HydrophobicContact CD1-CZ 4.39Å; L440-F444 HydrophobicContact CG-CD2 4.18Å; L440-F444 HydrophobicContact CG-CE2 3.89Å; L440-F444 VanDerWaalsContact O-CD2 3.23Å; L440-F444 WeakPolarHBondContact O-CD2 3.32Å; L440-F444 PolarHBondContact O-N 2.83Å |
| 441 | L | 95 | Very high | 93.3 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | I | π-helix | trans | -67 | -42.7 | -177 | 179.4 | 62 | 0 | 0 | 0 | 111.3 | A324 T366 M369 F436 Q437 G443 F444 I445 | A324-L441 HydrophobicContact CB-CD1 4.43Å; T366-L441 HydrophobicContact CG2-CD1 4.22Å; T366-L441 HydrophobicContact CG2-CD2 4.08Å; T366-L441 WeakPolarHBondContact OG1-CD2 3.31Å; M369-L441 HydrophobicContact SD-CD2 3.65Å; M369-L441 HydrophobicContact SD-CG 4.24Å; F436-L441 PolarHBondContact O-N 3.12Å; F436-L441 VanDerWaalsContact O-N 3.08Å; Q437-L441 HydrophobicContact CG-CD2 4.49Å; Q437-L441 WeakPolarHBondContact O-CB 3.33Å; L441-G443 VanDerWaalsContact C-N 3.3Å; L441-G443 PolarHBondContact O-N 3.45Å; L441-F444 PolarHBondContact O-N 3.31Å; L441-I445 HydrophobicContact CG-CD1 4.07Å; L441-I445 WeakPolarHBondContact O-CG1 3.46Å; L441-I445 PolarHBondContact O-N 3.23Å |
| 442 | L | 95.3 | Very high | 92.8 | Very high | 3 Ų | 3 | 21.4 Ų | 21.4 | 2% | 0.016 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.2 | -41.1 | 173.4 | -176.8 | 55.1 | 0 | 0 | 0 | 112 | Y28 A29 V32 M369 I386 M390 Q437 L438 F444 I445 V446 | Y28-L442 HydrophobicContact CD1-CD2 4.33Å; Y28-L442 HydrophobicContact CE1-CD2 4.1Å; A29-L442 HydrophobicContact CB-CD2 4.47Å; V32-L442 HydrophobicContact CB-CD2 4.11Å; V32-L442 HydrophobicContact CB-CG 4.34Å; V32-L442 HydrophobicContact CG1-CB 4.49Å; V32-L442 HydrophobicContact CG1-CD2 4.19Å; V32-L442 HydrophobicContact CG1-CG 3.93Å; V32-L442 HydrophobicContact CG2-CD2 4.02Å; M369-L442 HydrophobicContact CE-CB 4.24Å; M369-L442 HydrophobicContact CE-CD1 4.38Å; I386-L442 HydrophobicContact CG2-CD1 3.87Å; M390-L442 HydrophobicContact CG-CD1 3.65Å; M390-L442 HydrophobicContact SD-CD1 3.72Å; Q437-L442 PolarHBondContact O-N 2.89Å; Q437-L442 VanDerWaalsContact O-N 3.15Å; L438-L442 VanDerWaalsContact O-CB 3.27Å; L438-L442 WeakPolarHBondContact O-CB 3.35Å; L438-L442 WeakPolarHBondContact O-CD2 3.32Å; L442-F444 PolarHBondContact O-N 2.68Å; L442-I445 WeakPolarHBondContact O-CB 3.44Å; L442-I445 PolarHBondContact O-N 2.6Å; L442-V446 WeakPolarHBondContact O-CG2 3.38Å; L442-V446 PolarHBondContact O-N 2.68Å |
| 443 | G | 94.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58.6 | -44.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | T439 L440 L441 V446 L447 | T439-G443 PolarHBondContact O-N 3.05Å; L440-G443 PolarHBondContact O-N 3.48Å; L441-G443 VanDerWaalsContact C-N 3.3Å; L441-G443 PolarHBondContact O-N 3.45Å; G443-V446 WeakPolarHBondContact O-CB 3.32Å; G443-V446 PolarHBondContact O-N 3.3Å; G443-L447 PolarHBondContact O-N 3.02Å |
| 444 | F | 94.6 | Very high | 91.4 | Very high | 68 Ų | 68 | 30.5 Ų | 30.5 | 30% | 0.298 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -66.5 | -38.5 | 174.8 | -75.9 | -62.5 | 0 | 0 | 0 | 112.8 | I40 L321 A324 L440 L441 L442 V446 L447 H448 | I40-F444 HydrophobicContact CD1-CD1 4.05Å; I40-F444 HydrophobicContact CD1-CE1 4.12Å; I40-F444 HydrophobicContact CD1-CG 4.34Å; I40-F444 HydrophobicContact CD1-CZ 4.48Å; I40-F444 HydrophobicContact CG2-CE1 4.4Å; I40-F444 HydrophobicContact CG2-CE2 4.23Å; I40-F444 HydrophobicContact CG2-CZ 3.88Å; L321-F444 VanDerWaalsContact CD2-C 3.5Å; L321-F444 HydrophobicContact CD2-CB 3.57Å; A324-F444 HydrophobicContact CB-CB 4.48Å; A324-F444 HydrophobicContact CB-CD2 3.72Å; A324-F444 HydrophobicContact CB-CE2 4.13Å; A324-F444 HydrophobicContact CB-CG 4.17Å; L440-F444 HydrophobicContact CD1-CD2 4.19Å; L440-F444 HydrophobicContact CD1-CE2 3.56Å; L440-F444 HydrophobicContact CD1-CZ 4.39Å; L440-F444 HydrophobicContact CG-CD2 4.18Å; L440-F444 HydrophobicContact CG-CE2 3.89Å; L440-F444 VanDerWaalsContact O-CD2 3.23Å; L440-F444 WeakPolarHBondContact O-CD2 3.32Å; L440-F444 PolarHBondContact O-N 2.83Å; L441-F444 PolarHBondContact O-N 3.31Å; L442-F444 PolarHBondContact O-N 2.68Å; F444-V446 VanDerWaalsContact C-N 3.27Å; F444-V446 PolarHBondContact O-N 3.26Å; F444-L447 HydrophobicContact CD1-CD1 4.46Å; F444-L447 PolarHBondContact O-N 3.01Å; F444-L447 VanDerWaalsContact O-N 3.15Å; F444-H448 PolarHBondContact O-N 3.18Å |
| 445 | I | 93.1 | Very high | 90.5 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58 | -41 | 173.7 | -74.5 | 164.4 | 0 | 0 | 0 | 110.9 | L321 M369 L373 I386 L441 L442 L447 H448 A449 | L321-I445 HydrophobicContact CD1-CG1 3.91Å; L321-I445 HydrophobicContact CD2-CG1 4.39Å; M369-I445 HydrophobicContact CB-CD1 3.92Å; M369-I445 HydrophobicContact CE-CD1 3.54Å; M369-I445 HydrophobicContact SD-CD1 4.2Å; L373-I445 HydrophobicContact CD2-CG2 4.04Å; I386-I445 HydrophobicContact CD1-CG2 4.42Å; L441-I445 HydrophobicContact CG-CD1 4.07Å; L441-I445 WeakPolarHBondContact O-CG1 3.46Å; L441-I445 PolarHBondContact O-N 3.23Å; L442-I445 WeakPolarHBondContact O-CB 3.44Å; L442-I445 PolarHBondContact O-N 2.6Å; I445-L447 PolarHBondContact O-N 3.32Å; I445-H448 PolarHBondContact O-N 3.08Å; I445-A449 WeakPolarHBondContact O-CB 3.4Å; I445-A449 PolarHBondContact O-N 3.46Å |
| 446 | V | 92.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.3 | -46 | 174.8 | 173.7 | 0 | 0 | 0 | 0 | 111.7 | V32 P36 I386 L442 G443 F444 R450 | V32-V446 HydrophobicContact CG1-CG2 4.33Å; P36-V446 HydrophobicContact CB-CB 4.14Å; P36-V446 HydrophobicContact CB-CG1 3.95Å; P36-V446 HydrophobicContact CG-CG1 4.07Å; I386-V446 VanDerWaalsContact CD1-CA 3.48Å; I386-V446 HydrophobicContact CD1-CB 4Å; I386-V446 HydrophobicContact CD1-CG1 4.42Å; I386-V446 HydrophobicContact CD1-CG2 3.6Å; I386-V446 HydrophobicContact CG2-CG2 4.47Å; L442-V446 WeakPolarHBondContact O-CG2 3.38Å; L442-V446 PolarHBondContact O-N 2.68Å; G443-V446 WeakPolarHBondContact O-CB 3.32Å; G443-V446 PolarHBondContact O-N 3.3Å; F444-V446 VanDerWaalsContact C-N 3.27Å; F444-V446 PolarHBondContact O-N 3.26Å; V446-R450 VanDerWaalsContact O-CG 3.31Å; V446-R450 WeakPolarHBondContact O-CG 3.46Å; V446-R450 PolarHBondContact O-N 3.08Å; V446-R450 VanDerWaalsContact O-N 3.09Å |
| 447 | L | 91.1 | Very high | 89 | Confident | 34 Ų | 34 | 28.8 Ų | 28.8 | 18% | 0.178 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.9 | -40.7 | 179.1 | -63.2 | 179 | 0 | 0 | 0 | 111.9 | P36 Y37 I40 G443 F444 I445 R450 N451 | P36-L447 HydrophobicContact CB-CD2 4.33Å; P36-L447 HydrophobicContact CG-CD2 4.07Å; Y37-L447 HydrophobicContact CE1-CD1 4.16Å; Y37-L447 HydrophobicContact CE1-CD2 4.14Å; I40-L447 HydrophobicContact CD1-CD1 3.67Å; I40-L447 HydrophobicContact CD1-CG 4.47Å; G443-L447 PolarHBondContact O-N 3.02Å; F444-L447 HydrophobicContact CD1-CD1 4.46Å; F444-L447 PolarHBondContact O-N 3.01Å; F444-L447 VanDerWaalsContact O-N 3.15Å; I445-L447 PolarHBondContact O-N 3.32Å; L447-R450 PolarHBondContact O-N 3.12Å; L447-N451 PolarHBondContact O-N 3.23Å; L447-N451 PolarHBondContact O-ND2 3.34Å |
| 448 | H | 90.2 | Very high | 88.4 | Confident | 14 Ų | 14 | 29 Ų | 29 | 7% | 0.065 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.8 | -49.1 | 175.9 | 176.4 | 67.5 | 0 | 0 | 0 | 111.8 | L321 F444 I445 R450 N451 E452 | L321-H448 HydrophobicContact CD1-CB 3.64Å; L321-H448 HydrophobicContact CD2-CB 4.07Å; L321-H448 HydrophobicContact CG-CB 4.04Å; F444-H448 PolarHBondContact O-N 3.18Å; I445-H448 PolarHBondContact O-N 3.08Å; H448-R450 VanDerWaalsContact C-N 3.27Å; H448-R450 PolarHBondContact O-N 2.96Å; H448-N451 CarbonylContact O-C 3.15Å; H448-N451 WeakPolarHBondContact O-CA 3.44Å; H448-N451 WeakPolarHBondContact O-CB 3.4Å; H448-N451 PolarHBondContact O-N 3.29Å; H448-E452 PolarHBondContact O-N 3.36Å |
| 449 | A | 88.2 | Confident | 87.7 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.4 | -33.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V382 I386 I445 R453 | V382-A449 HydrophobicContact CG1-CB 3.96Å; V382-A449 HydrophobicContact CG2-CB 4.24Å; V382-A449 WeakPolarHBondContact CG2-O 3.36Å; I386-A449 HydrophobicContact CD1-CB 3.89Å; I386-A449 HydrophobicContact CG1-CB 4.28Å; I445-A449 WeakPolarHBondContact O-CB 3.4Å; I445-A449 PolarHBondContact O-N 3.46Å; A449-R453 WeakPolarHBondContact O-CB 3.36Å; A449-R453 PolarHBondContact O-N 2.87Å |
| 450 | R | 88.7 | Confident | 87.1 | Confident | 83 Ų | 83 | 35 Ų | 35 | 31% | 0.313 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -65.7 | -41 | 171.8 | -74.1 | 174.6 | 176.9 | -169.5 | -1.6 | 111.8 | C33 V382 V446 L447 H448 C454 | C33-R450 PolarHBondContact O-NH2 3.4Å; V382-R450 HydrophobicContact CG1-CG 4.22Å; V382-R450 HydrophobicContact CG2-CG 4.42Å; V446-R450 VanDerWaalsContact O-CG 3.31Å; V446-R450 WeakPolarHBondContact O-CG 3.46Å; V446-R450 PolarHBondContact O-N 3.08Å; V446-R450 VanDerWaalsContact O-N 3.09Å; L447-R450 PolarHBondContact O-N 3.12Å; H448-R450 VanDerWaalsContact C-N 3.27Å; H448-R450 PolarHBondContact O-N 2.96Å; R450-C454 PolarHBondContact O-N 2.93Å; R450-C454 PolarHBondContact O-SG 2.86Å; R450-C454 VanDerWaalsContact O-SG 3.39Å |
| 451 | N | 86.8 | Confident | 86.1 | Confident | 39 Ų | 39 | 37 Ų | 37 | 21% | 0.209 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.4 | -42.4 | 176.2 | -72.1 | -23.6 | 0 | 0 | 0 | 111.8 | L447 H448 R453 C454 G455 K456 | L447-N451 PolarHBondContact O-N 3.23Å; L447-N451 PolarHBondContact O-ND2 3.34Å; H448-N451 CarbonylContact O-C 3.15Å; H448-N451 WeakPolarHBondContact O-CA 3.44Å; H448-N451 WeakPolarHBondContact O-CB 3.4Å; H448-N451 PolarHBondContact O-N 3.29Å; N451-R453 VanDerWaalsContact C-N 3.35Å; N451-R453 PolarHBondContact O-N 3.35Å; N451-C454 CarbonylContact O-C 3.56Å; N451-C454 PolarHBondContact O-N 3.25Å; N451-C454 VanDerWaalsContact O-N 3.13Å; N451-G455 PolarHBondContact O-N 3.16Å; N451-G455 VanDerWaalsContact O-N 3.17Å; N451-K456 HydrophobicContact CB-CB 4.21Å; N451-K456 HydrophobicContact CB-CD 4.47Å; N451-K456 PolarHBondContact O-N 3.45Å |
| 452 | E | 83.5 | Confident | 85.3 | Confident | 15 Ų | 15 | 42.6 Ų | 42.6 | 7% | 0.07 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.8 | -44.2 | 176 | -175 | -169.6 | 170.7 | 0 | 0 | 111.4 | N315 R385 H448 C454 G455 | N315-E452 PolarHBondContact ND2-O 2.88Å; N315-E452 WeakPolarHBondContact OD1-CA 3.48Å; N315-E452 PolarHBondContact OD1-O 3Å; R385-E452 IonicContact CZ-OE1 3.69Å; R385-E452 IonicContact CZ-OE2 3.67Å; R385-E452 IonicContact NH1-OE1 3.33Å; R385-E452 PolarHBondContact NH1-OE1 2.83Å; R385-E452 IonicContact NH1-OE2 3.97Å; R385-E452 PolarHBondContact NH1-OE2 3.44Å; R385-E452 IonicContact NH2-OE1 3.47Å; R385-E452 PolarHBondContact NH2-OE1 3.48Å; R385-E452 IonicContact NH2-OE2 3.01Å; R385-E452 PolarHBondContact NH2-OE2 3.03Å; H448-E452 PolarHBondContact O-N 3.36Å; E452-C454 VanDerWaalsContact C-N 3.28Å; E452-C454 PolarHBondContact O-N 3.4Å; E452-G455 PolarHBondContact O-N 3.3Å |
| 453 | R | 81.3 | Confident | 84.5 | Confident | 139 Ų | 139 | 48.8 Ų | 48.8 | 53% | 0.525 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.5 | -36 | 175.7 | -179 | 174.4 | 179.6 | 179.6 | 7.6 | 112.6 | V382 E383 A449 N451 G455 | V382-R453 HydrophobicContact CG2-CB 4.17Å; E383-R453 IonicContact OE2-NH1 3.85Å; E383-R453 PolarHBondContact OE2-NH1 2.74Å; A449-R453 WeakPolarHBondContact O-CB 3.36Å; A449-R453 PolarHBondContact O-N 2.87Å; N451-R453 VanDerWaalsContact C-N 3.35Å; N451-R453 PolarHBondContact O-N 3.35Å; R453-G455 PolarHBondContact O-N 3.44Å |
| 454 | C | 80.7 | Confident | 83.7 | Confident | 69 Ų | 69 | 54.9 Ų | 54.9 | 47% | 0.466 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -2.7 | 176.1 | -68 | 0 | 0 | 0 | 0 | 113.2 | R450 N451 E452 K456 H464 | R450-C454 PolarHBondContact O-N 2.93Å; R450-C454 PolarHBondContact O-SG 2.86Å; R450-C454 VanDerWaalsContact O-SG 3.39Å; N451-C454 CarbonylContact O-C 3.56Å; N451-C454 PolarHBondContact O-N 3.25Å; N451-C454 VanDerWaalsContact O-N 3.13Å; E452-C454 VanDerWaalsContact C-N 3.28Å; E452-C454 PolarHBondContact O-N 3.4Å; C454-K456 HydrophobicContact CB-CD 3.98Å; C454-K456 HydrophobicContact CB-CG 3.89Å; C454-K456 PolarHBondContact O-N 2.97Å; C454-H464 PolarHBondContact O-CD2 2.92Å; C454-H464 PolarHBondContact O-NE2 3.5Å |
| 455 | G | 75.8 | Confident | 82.7 | Confident | 15 Ų | 15 | 52.2 Ų | 52.2 | 16% | 0.155 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 23.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | N315 N451 E452 R453 T465 | N315-G455 WeakPolarHBondContact OD1-CA 3.15Å; N451-G455 PolarHBondContact O-N 3.16Å; N451-G455 VanDerWaalsContact O-N 3.17Å; E452-G455 PolarHBondContact O-N 3.3Å; R453-G455 PolarHBondContact O-N 3.44Å; G455-T465 PolarHBondContact O-N 3.39Å; G455-T465 PolarHBondContact O-OG1 3.11Å |
| 456 | K | 80.3 | Confident | 81.7 | Confident | 63 Ų | 63 | 54 Ų | 54 | 27% | 0.274 | 27% | 0.27 | S | S | . | . | B | Isolated β-bridge | trans | -78.8 | 148.2 | -178.4 | -71 | 174.1 | 168.5 | -168.8 | 0 | 110.7 | N315 N451 C454 T458 P461 F463 | N315-K456 PolarHBondContact OD1-O 3.13Å; N451-K456 HydrophobicContact CB-CB 4.21Å; N451-K456 HydrophobicContact CB-CD 4.47Å; N451-K456 PolarHBondContact O-N 3.45Å; C454-K456 HydrophobicContact CB-CD 3.98Å; C454-K456 HydrophobicContact CB-CG 3.89Å; C454-K456 PolarHBondContact O-N 2.97Å; K456-T458 PolarHBondContact O-N 3.44Å; K456-P461 VanDerWaalsContact CD-O 3.24Å; K456-P461 WeakPolarHBondContact CD-O 3.12Å; K456-F463 CarbonylContact C-O 3.56Å; K456-F463 WeakPolarHBondContact CA-O 3.38Å |
| 457 | H | 80.1 | Confident | 80.4 | Confident | 11 Ų | 11 | 55.2 Ų | 55.2 | 5% | 0.051 | 28% | 0.278 | C | S | . | . | trans | -66.9 | 130.4 | 174.2 | -173.9 | -56.9 | 0 | 0 | 0 | 110 | W314 I459 F460 P461 F463 T465 F481 | W314-H457 AromaticContact CD2-CE1 3.79Å; W314-H457 AromaticContact CD2-NE2 3.59Å; W314-H457 AromaticContact CE3-CE1 3.69Å; W314-H457 AromaticContact CE3-NE2 3.98Å; W314-H457 AromaticContact CG-CE1 3.98Å; W314-H457 AromaticContact CG-NE2 3.48Å; H457-I459 PolarHBondContact ND1-N 2.84Å; H457-I459 PolarHBondContact O-N 3.37Å; H457-F460 PolarHBondContact ND1-N 3.46Å; H457-F460 CarbonylContact O-C 3.54Å; H457-F460 PolarHBondContact O-N 3.48Å; H457-P461 WeakPolarHBondContact O-CA 3.46Å; H457-F463 HydrophobicContact CB-CB 4.22Å; H457-F463 WeakPolarHBondContact CB-O 3.32Å; H457-F463 PolarHBondContact N-O 3.24Å; H457-T465 HydrophobicContact CB-CG2 4.04Å; H457-F481 PolarHBondContact CD2-O 3.26Å; H457-F481 PolarHBondContact NE2-O 2.81Å | ||
| 458 | T | 81.1 | Confident | 79 | Confident | 8 Ų | 8 | 55.1 Ų | 55.1 | 5% | 0.049 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -65.6 | -42.8 | -174.6 | -62.6 | 0 | 0 | 0 | 0 | 113.7 | W314 S317 K456 | W314-T458 VanDerWaalsContact O-CB 3.27Å; W314-T458 WeakPolarHBondContact O-CB 3.34Å; W314-T458 PolarHBondContact O-N 2.88Å; W314-T458 VanDerWaalsContact O-N 3.1Å; W314-T458 PolarHBondContact O-OG1 3.47Å; S317-T458 VanDerWaalsContact O-CB 3.25Å; S317-T458 WeakPolarHBondContact O-CB 3.36Å; S317-T458 WeakPolarHBondContact O-CG2 3.4Å; S317-T458 PolarHBondContact O-OG1 3.01Å; K456-T458 PolarHBondContact O-N 3.44Å |
| 459 | I | 79.7 | Confident | 77.8 | Confident | 50 Ų | 50 | 60.3 Ų | 60.3 | 26% | 0.256 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -66 | -47.4 | 176.9 | -59.1 | 179.2 | 0 | 0 | 0 | 111.9 | W314 P319 W320 H457 P461 | W314-I459 HydrophobicContact CE3-CD1 4Å; W314-I459 HydrophobicContact CE3-CG1 4.21Å; W314-I459 HydrophobicContact CH2-CD1 3.79Å; W314-I459 HydrophobicContact CZ3-CD1 3.3Å; W314-I459 HydrophobicContact CZ3-CG1 3.91Å; P319-I459 HydrophobicContact CG-CG1 4.14Å; W320-I459 HydrophobicContact CZ2-CG2 4.42Å; W320-I459 PolarHBondContact NE1-O 3.43Å; H457-I459 PolarHBondContact ND1-N 2.84Å; H457-I459 PolarHBondContact O-N 3.37Å; I459-P461 WeakPolarHBondContact O-CD 3.25Å |
| 460 | F | 80.7 | Confident | 76.6 | Confident | 118 Ų | 118 | 65.8 Ų | 65.8 | 52% | 0.518 | 33% | 0.333 | S | S | . | . | trans | -120.3 | 87.1 | -177 | -60.9 | -71.8 | 0 | 0 | 0 | 110.3 | H457 C462 F463 | H457-F460 PolarHBondContact ND1-N 3.46Å; H457-F460 CarbonylContact O-C 3.54Å; H457-F460 PolarHBondContact O-N 3.48Å; F460-C462 PolarHBondContact O-N 3.23Å; F460-F463 HydrophobicContact CB-CD2 3.46Å; F460-F463 VanDerWaalsContact CB-CD2 3.46Å; F460-F463 HydrophobicContact CB-CE2 3.94Å; F460-F463 HydrophobicContact CD2-CD2 4.46Å; F460-F463 HydrophobicContact CG-CD2 4.11Å; F460-F463 HydrophobicContact CG-CE2 4.2Å; F460-F463 PolarHBondContact O-N 3.33Å | ||
| 461 | P | 74.8 | Confident | 75.3 | Confident | 48 Ų | 48 | 63.6 Ų | 63.6 | 31% | 0.312 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -9.9 | -175.8 | -24.9 | 34 | 0 | 0 | 0 | 115.2 | K456 H457 I459 | K456-P461 VanDerWaalsContact CD-O 3.24Å; K456-P461 WeakPolarHBondContact CD-O 3.12Å; H457-P461 WeakPolarHBondContact O-CA 3.46Å; I459-P461 WeakPolarHBondContact O-CD 3.25Å |
| 462 | C | 78.5 | Confident | 74 | Confident | 116 Ų | 116 | 70.9 Ų | 70.9 | 78% | 0.784 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -25.3 | 174.1 | -56.9 | 0 | 0 | 0 | 0 | 113 | F460 | F460-C462 PolarHBondContact O-N 3.23Š|
| 463 | F | 78.3 | Confident | 73 | Confident | 134 Ų | 134 | 78.5 Ų | 78.5 | 59% | 0.588 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -96.3 | 142.2 | -179.9 | -59.9 | -59.8 | 0 | 0 | 0 | 111 | K456 H457 F460 | K456-F463 CarbonylContact C-O 3.56Å; K456-F463 WeakPolarHBondContact CA-O 3.38Å; H457-F463 HydrophobicContact CB-CB 4.22Å; H457-F463 WeakPolarHBondContact CB-O 3.32Å; H457-F463 PolarHBondContact N-O 3.24Å; F460-F463 HydrophobicContact CB-CD2 3.46Å; F460-F463 VanDerWaalsContact CB-CD2 3.46Å; F460-F463 HydrophobicContact CB-CE2 3.94Å; F460-F463 HydrophobicContact CD2-CD2 4.46Å; F460-F463 HydrophobicContact CG-CD2 4.11Å; F460-F463 HydrophobicContact CG-CE2 4.2Å; F460-F463 PolarHBondContact O-N 3.33Å |
| 464 | H | 76.9 | Confident | 72 | Confident | 127 Ų | 127 | 72.4 Ų | 72.4 | 59% | 0.588 | 37% | 0.371 | S | S | * | . | B | Isolated β-bridge | trans | -89.1 | 142.9 | 168 | -75.7 | 67.1 | 0 | 0 | 0 | 109.7 | C454 | C454-H464 PolarHBondContact O-CD2 2.92Å; C454-H464 PolarHBondContact O-NE2 3.5Å |
| 465 | T | 75.1 | Confident | 71.5 | Confident | 13 Ų | 13 | 73 Ų | 73 | 8% | 0.08 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -75.9 | 147 | 174.6 | 56.5 | 0 | 0 | 0 | 0 | 110.8 | W314 N315 G455 H457 C482 | W314-T465 HydrophobicContact CB-CG2 4.16Å; N315-T465 HydrophobicContact CB-CG2 4.33Å; G455-T465 PolarHBondContact O-N 3.39Å; G455-T465 PolarHBondContact O-OG1 3.11Å; H457-T465 HydrophobicContact CB-CG2 4.04Å; T465-C482 CarbonylContact C-O 3.46Å; T465-C482 WeakPolarHBondContact CA-O 3.33Å |
| 466 | I | 70.4 | Confident | 71.2 | Confident | 39 Ų | 39 | 77.6 Ų | 77.6 | 20% | 0.2 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 125.2 | 174 | -59.6 | 172.7 | 0 | 0 | 0 | 107.2 | T468 E470 A474 Q478 C482 G484 | I466-T468 PolarHBondContact O-N 3.24Å; I466-E470 HydrophobicContact CG2-CB 4Å; I466-A474 HydrophobicContact CD1-CB 4.49Å; I466-Q478 HydrophobicContact CD1-CB 4Å; I466-Q478 HydrophobicContact CD1-CG 4.2Å; I466-C482 HydrophobicContact CD1-CB 3.89Å; I466-C482 HydrophobicContact CG1-CB 4.11Å; I466-C482 PolarHBondContact N-O 3.41Å; I466-G484 PolarHBondContact O-N 3.34Å; I466-G484 VanDerWaalsContact O-N 3.08Å; I466-G484 VanDerWaalsContact O-O 3.12Å |
| 467 | P | 66.5 | Low | 70.7 | Confident | 25 Ų | 25 | 80.5 Ų | 80.5 | 16% | 0.162 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.1 | 140.1 | 175.7 | -20.9 | 28.4 | 0 | 0 | 0 | 111.3 | D469 E470 T486 | P467-D469 PolarHBondContact O-N 3.4Å; P467-E470 HydrophobicContact CB-CG 4.47Å; P467-E470 HydrophobicContact CG-CG 4.43Å; P467-E470 PolarHBondContact O-N 2.93Å; P467-T486 HydrophobicContact CB-CG2 3.54Å; P467-T486 HydrophobicContact CG-CG2 3.51Å |
| 468 | T | 62.2 | Low | 70.1 | Confident | 31 Ų | 31 | 83.6 Ų | 83.6 | 19% | 0.19 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -16.7 | 174.3 | 30.8 | 0 | 0 | 0 | 0 | 114.7 | K305 I466 I471 I483 G484 | K305-T468 PolarHBondContact NZ-O 3.35Å; I466-T468 PolarHBondContact O-N 3.24Å; T468-I471 HydrophobicContact CG2-CD1 4.24Å; T468-I471 WeakPolarHBondContact O-CD1 3.2Å; T468-I471 WeakPolarHBondContact O-CG1 3.17Å; T468-I483 HydrophobicContact CG2-CG2 3.79Å; T468-G484 PolarHBondContact N-O 3.01Å |
| 469 | D | 63.5 | Low | 69.4 | Low | 124 Ų | 124 | 87.6 Ų | 87.6 | 66% | 0.663 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -24.9 | 177.8 | -59.2 | -31.1 | 0 | 0 | 0 | 113.1 | P467 | P467-D469 PolarHBondContact O-N 3.4Š|
| 470 | E | 64.4 | Low | 68.9 | Low | 115 Ų | 115 | 90 Ų | 90 | 54% | 0.537 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -95.9 | 5.6 | -175 | -67.2 | -179.2 | -175.5 | 0 | 0 | 113.5 | I466 P467 K472 H473 | I466-E470 HydrophobicContact CG2-CB 4Å; P467-E470 HydrophobicContact CB-CG 4.47Å; P467-E470 HydrophobicContact CG-CG 4.43Å; P467-E470 PolarHBondContact O-N 2.93Å; E470-K472 PolarHBondContact O-N 3.07Å; E470-H473 PolarHBondContact O-N 3.28Å |
| 471 | I | 60.6 | Low | 68.7 | Low | 37 Ų | 37 | 89.1 Ų | 89.1 | 19% | 0.19 | 46% | 0.46 | C | S | . | . | G | 310 helix | trans | -54.9 | -27.9 | -177.1 | -65.9 | 172 | 0 | 0 | 0 | 113.8 | T468 H473 A474 K479 I483 | T468-I471 HydrophobicContact CG2-CD1 4.24Å; T468-I471 WeakPolarHBondContact O-CD1 3.2Å; T468-I471 WeakPolarHBondContact O-CG1 3.17Å; I471-H473 PolarHBondContact O-N 3.44Å; I471-H473 VanDerWaalsContact O-N 3.09Å; I471-A474 WeakPolarHBondContact O-CB 3.17Å; I471-A474 PolarHBondContact O-N 3.45Å; I471-K479 HydrophobicContact CG2-CD 4.44Å; I471-K479 HydrophobicContact CG2-CG 4.17Å; I471-K479 WeakPolarHBondContact O-CE 3.41Å; I471-I483 HydrophobicContact CD1-CD1 3.76Å; I471-I483 HydrophobicContact CD1-CG1 4.4Å; I471-I483 HydrophobicContact CD1-CG2 4.25Å; I471-I483 HydrophobicContact CG1-CD1 3.97Å; I471-I483 HydrophobicContact CG1-CG1 4.28Å; I471-I483 HydrophobicContact CG2-CD1 4.43Å |
| 472 | K | 60.4 | Low | 68.6 | Low | 192 Ų | 192 | 88.8 Ų | 88.8 | 84% | 0.835 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -57.1 | -28.9 | -176.1 | -71.8 | -173.7 | -179.7 | 179.7 | 0 | 112.9 | E470 | E470-K472 PolarHBondContact O-N 3.07Š|
| 473 | H | 61 | Low | 68.2 | Low | 175 Ų | 175 | 83.6 Ų | 83.6 | 81% | 0.81 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -98.6 | 0.2 | -178.4 | -59.9 | -70.8 | 0 | 0 | 0 | 113.8 | E470 I471 | E470-H473 PolarHBondContact O-N 3.28Å; I471-H473 PolarHBondContact O-N 3.44Å; I471-H473 VanDerWaalsContact O-N 3.09Å |
| 474 | A | 61.6 | Low | 67.7 | Low | 11 Ų | 11 | 77.2 Ų | 77.2 | 9% | 0.091 | 39% | 0.394 | C | S | . | . | trans | -82.4 | 138.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I466 I471 Q478 K479 | I466-A474 HydrophobicContact CD1-CB 4.49Å; I471-A474 WeakPolarHBondContact O-CB 3.17Å; I471-A474 PolarHBondContact O-N 3.45Å; A474-Q478 HydrophobicContact CB-CB 3.9Å; A474-K479 HydrophobicContact CB-CG 3.83Å; A474-K479 WeakPolarHBondContact O-CE 3.41Å | ||
| 475 | T | 70.4 | Confident | 67.1 | Low | 81 Ų | 81 | 72.1 Ų | 72.1 | 50% | 0.497 | 37% | 0.373 | S | S | . | . | trans | -62.2 | 160.4 | 168.1 | 53.5 | 0 | 0 | 0 | 0 | 111.3 | L477 Q478 K479 | T475-L477 PolarHBondContact O-N 3.35Å; T475-Q478 PolarHBondContact O-N 3.38Å; T475-Q478 VanDerWaalsContact O-N 3.13Å; T475-Q478 WeakPolarHBondContact OG1-CB 3.26Å; T475-Q478 VanDerWaalsContact OG1-CD 3.23Å; T475-Q478 WeakPolarHBondContact OG1-CG 3.3Å; T475-Q478 PolarHBondContact OG1-N 2.88Å; T475-Q478 PolarHBondContact OG1-OE1 3.4Å; T475-K479 WeakPolarHBondContact O-CG 3.37Å; T475-K479 PolarHBondContact O-N 3.36Å | ||
| 476 | C | 69.2 | Low | 65.9 | Low | 112 Ų | 112 | 74.2 Ų | 74.2 | 76% | 0.757 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -52.5 | -40.1 | 176.7 | -171.2 | 0 | 0 | 0 | 0 | 112.2 | K479 L480 | C476-K479 WeakPolarHBondContact O-CB 3.1Å; C476-K479 PolarHBondContact O-N 3.11Å; C476-L480 PolarHBondContact O-N 2.87Å; C476-L480 VanDerWaalsContact O-N 3.07Å |
| 477 | L | 69.5 | Low | 64.8 | Low | 124 Ų | 124 | 74.3 Ų | 74.3 | 65% | 0.649 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -70.6 | -40.9 | 179.8 | -151.1 | 145 | 0 | 0 | 0 | 112.1 | T475 K479 L480 F481 | T475-L477 PolarHBondContact O-N 3.35Å; L477-K479 VanDerWaalsContact C-N 3.32Å; L477-K479 PolarHBondContact O-N 2.84Å; L477-L480 PolarHBondContact O-N 3.47Å; L477-F481 HydrophobicContact CD2-CD2 3.85Å; L477-F481 HydrophobicContact CD2-CE2 4.49Å; L477-F481 HydrophobicContact CG-CD2 4.1Å; L477-F481 HydrophobicContact CG-CE2 4.44Å; L477-F481 PolarHBondContact O-N 2.73Å |
| 478 | Q | 67.4 | Low | 63.5 | Low | 75 Ų | 75 | 75.7 Ų | 75.7 | 35% | 0.35 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65.2 | -34.5 | 171.6 | -75.7 | 167.5 | -27.8 | 0 | 0 | 112.5 | I466 A474 T475 L480 C482 | I466-Q478 HydrophobicContact CD1-CB 4Å; I466-Q478 HydrophobicContact CD1-CG 4.2Å; A474-Q478 HydrophobicContact CB-CB 3.9Å; T475-Q478 PolarHBondContact O-N 3.38Å; T475-Q478 VanDerWaalsContact O-N 3.13Å; T475-Q478 WeakPolarHBondContact OG1-CB 3.26Å; T475-Q478 VanDerWaalsContact OG1-CD 3.23Å; T475-Q478 WeakPolarHBondContact OG1-CG 3.3Å; T475-Q478 PolarHBondContact OG1-N 2.88Å; T475-Q478 PolarHBondContact OG1-OE1 3.4Å; Q478-L480 VanDerWaalsContact C-N 3.28Å; Q478-L480 PolarHBondContact O-N 3.41Å; Q478-C482 HydrophobicContact CB-CB 4.42Å; Q478-C482 WeakPolarHBondContact O-CA 3.41Å; Q478-C482 WeakPolarHBondContact O-CB 3.19Å; Q478-C482 PolarHBondContact O-N 3.46Å |
| 479 | K | 65.7 | Low | 62.2 | Low | 92 Ų | 92 | 79.8 Ų | 79.8 | 40% | 0.4 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.7 | -34 | 173.8 | -73 | 176 | 177.4 | 167.5 | 0 | 111.9 | I471 A474 T475 C476 L477 I483 | I471-K479 HydrophobicContact CG2-CD 4.44Å; I471-K479 HydrophobicContact CG2-CG 4.17Å; I471-K479 WeakPolarHBondContact O-CE 3.41Å; A474-K479 HydrophobicContact CB-CG 3.83Å; A474-K479 WeakPolarHBondContact O-CE 3.41Å; T475-K479 WeakPolarHBondContact O-CG 3.37Å; T475-K479 PolarHBondContact O-N 3.36Å; C476-K479 WeakPolarHBondContact O-CB 3.1Å; C476-K479 PolarHBondContact O-N 3.11Å; L477-K479 VanDerWaalsContact C-N 3.32Å; L477-K479 PolarHBondContact O-N 2.84Å; K479-I483 HydrophobicContact CB-CD1 4.25Å; K479-I483 WeakPolarHBondContact O-CD1 3.47Å; K479-I483 VanDerWaalsContact O-CG1 3.28Å; K479-I483 WeakPolarHBondContact O-CG1 3.26Å |
| 480 | L | 69.7 | Low | 60.7 | Low | 102 Ų | 102 | 83.1 Ų | 83.1 | 53% | 0.534 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -81.7 | -41.6 | 179.9 | -166.7 | 64.9 | 0 | 0 | 0 | 112.4 | W314 C476 L477 Q478 | W314-L480 PolarHBondContact NE1-O 2.75Å; C476-L480 PolarHBondContact O-N 2.87Å; C476-L480 VanDerWaalsContact O-N 3.07Å; L477-L480 PolarHBondContact O-N 3.47Å; Q478-L480 VanDerWaalsContact C-N 3.28Å; Q478-L480 PolarHBondContact O-N 3.41Å |
| 481 | F | 75.8 | Confident | 59.2 | Low | 99 Ų | 99 | 81 Ų | 81 | 43% | 0.434 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -111.4 | -11.7 | -167.7 | -68 | -70.1 | 0 | 0 | 0 | 116 | W314 H457 L477 | W314-F481 VanDerWaalsContact CD1-C 3.46Å; W314-F481 VanDerWaalsContact CD1-O 3.25Å; W314-F481 HydrophobicContact CZ2-CD1 4.11Å; W314-F481 PolarHBondContact NE1-O 2.87Å; H457-F481 PolarHBondContact CD2-O 3.26Å; H457-F481 PolarHBondContact NE2-O 2.81Å; L477-F481 HydrophobicContact CD2-CD2 3.85Å; L477-F481 HydrophobicContact CD2-CE2 4.49Å; L477-F481 HydrophobicContact CG-CD2 4.1Å; L477-F481 HydrophobicContact CG-CE2 4.44Å; L477-F481 PolarHBondContact O-N 2.73Å |
| 482 | C | 72.8 | Confident | 58 | Low | 40 Ų | 40 | 82.8 Ų | 82.8 | 27% | 0.27 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -120.6 | 0.8 | -172.8 | -58.2 | 0 | 0 | 0 | 0 | 114 | T465 I466 Q478 G484 | T465-C482 CarbonylContact C-O 3.46Å; T465-C482 WeakPolarHBondContact CA-O 3.33Å; I466-C482 HydrophobicContact CD1-CB 3.89Å; I466-C482 HydrophobicContact CG1-CB 4.11Å; I466-C482 PolarHBondContact N-O 3.41Å; Q478-C482 HydrophobicContact CB-CB 4.42Å; Q478-C482 WeakPolarHBondContact O-CA 3.41Å; Q478-C482 WeakPolarHBondContact O-CB 3.19Å; Q478-C482 PolarHBondContact O-N 3.46Å; C482-G484 PolarHBondContact O-N 2.92Å |
| 483 | I | 71.2 | Confident | 56.6 | Low | 8 Ų | 8 | 83 Ų | 83 | 4% | 0.041 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 129.4 | 179.4 | -64 | -176.7 | 0 | 0 | 0 | 109.8 | A311 W314 T468 I471 K479 | A311-I483 HydrophobicContact CB-CD1 3.8Å; A311-I483 HydrophobicContact CB-CG2 4.4Å; W314-I483 PolarHBondContact N-O 3.25Å; T468-I483 HydrophobicContact CG2-CG2 3.79Å; I471-I483 HydrophobicContact CD1-CD1 3.76Å; I471-I483 HydrophobicContact CD1-CG1 4.4Å; I471-I483 HydrophobicContact CD1-CG2 4.25Å; I471-I483 HydrophobicContact CG1-CD1 3.97Å; I471-I483 HydrophobicContact CG1-CG1 4.28Å; I471-I483 HydrophobicContact CG2-CD1 4.43Å; K479-I483 HydrophobicContact CB-CD1 4.25Å; K479-I483 WeakPolarHBondContact O-CD1 3.47Å; K479-I483 VanDerWaalsContact O-CG1 3.28Å; K479-I483 WeakPolarHBondContact O-CG1 3.26Å |
| 484 | G | 67.6 | Low | 55.1 | Low | 0 Ų | 0 | 85.5 Ų | 85.5 | 0% | 0 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 147 | 168 | 0 | 0 | 0 | 0 | 0 | 110.2 | D313 I466 T468 C482 T486 | D313-G484 VanDerWaalsContact OD1-CA 3.29Å; D313-G484 WeakPolarHBondContact OD1-CA 3.25Å; I466-G484 PolarHBondContact O-N 3.34Å; I466-G484 VanDerWaalsContact O-N 3.08Å; I466-G484 VanDerWaalsContact O-O 3.12Å; T468-G484 PolarHBondContact N-O 3.01Å; C482-G484 PolarHBondContact O-N 2.92Å; G484-T486 PolarHBondContact O-N 2.89Å |
| 485 | S | 64.9 | Low | 53.6 | Low | 20 Ų | 20 | 90.2 Ų | 90.2 | 14% | 0.14 | 49% | 0.487 | C | S | . | . | trans | -67.8 | 118.6 | 165.3 | -58.6 | 0 | 0 | 0 | 0 | 107 | D313 N315 A487 | D313-S485 VanDerWaalsContact CG-N 3.35Å; D313-S485 PolarHBondContact OD1-N 2.96Å; D313-S485 WeakPolarHBondContact OD2-CB 3.37Å; D313-S485 PolarHBondContact OD2-N 2.96Å; D313-S485 PolarHBondContact OD2-OG 3.48Å; N315-S485 PolarHBondContact ND2-O 3.4Å; S485-A487 PolarHBondContact O-N 3.49Å | ||
| 486 | T | 50 | Low | 51.7 | Low | 56 Ų | 56 | 91 Ų | 91 | 34% | 0.344 | 49% | 0.494 | S | S | . | . | trans | -60.7 | 131.8 | 163.7 | 26.5 | 0 | 0 | 0 | 0 | 107.6 | P467 G484 A488 | P467-T486 HydrophobicContact CB-CG2 3.54Å; P467-T486 HydrophobicContact CG-CG2 3.51Å; G484-T486 PolarHBondContact O-N 2.89Å; T486-A488 PolarHBondContact O-N 2.84Å | ||
| 487 | A | 46.3 | Very low | 49.9 | Very low | 41 Ų | 41 | 95.7 Ų | 95.7 | 34% | 0.339 | 51% | 0.505 | S | S | . | . | trans | -42.8 | 122.3 | 160.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | S485 C489 | S485-A487 PolarHBondContact O-N 3.49Å; A487-C489 PolarHBondContact O-N 3.3Å | ||
| 488 | A | 39.9 | Very low | 48 | Very low | 55 Ų | 55 | 92.9 Ų | 92.9 | 46% | 0.455 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -67.9 | 38.9 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114 | T486 K490 S491 A492 | T486-A488 PolarHBondContact O-N 2.84Å; A488-K490 PolarHBondContact O-N 3.28Å; A488-K490 VanDerWaalsContact O-N 3.1Å; A488-S491 PolarHBondContact O-N 3.14Å; A488-S491 VanDerWaalsContact O-N 3.16Å; A488-A492 PolarHBondContact O-N 2.87Å; A488-A492 VanDerWaalsContact O-N 3.11Å |
| 489 | C | 34.8 | Very low | 46.1 | Very low | 116 Ų | 116 | 95.8 Ų | 95.8 | 78% | 0.784 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -15.3 | 174.6 | -146.4 | 0 | 0 | 0 | 0 | 112.4 | A487 | A487-C489 PolarHBondContact O-N 3.3Š|
| 490 | K | 31 | Very low | 44.3 | Very low | 195 Ų | 195 | 95 Ų | 95 | 85% | 0.848 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | -24.9 | 172.4 | -71.1 | -176.5 | -179.7 | 174.1 | 0 | 114.9 | A488 | A488-K490 PolarHBondContact O-N 3.28Å; A488-K490 VanDerWaalsContact O-N 3.1Å |
| 491 | S | 32.4 | Very low | 42.6 | Very low | 70 Ų | 70 | 93.5 Ų | 93.5 | 49% | 0.49 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -26 | -177.5 | -159 | 0 | 0 | 0 | 0 | 113.9 | A488 K493 R494 | A488-S491 PolarHBondContact O-N 3.14Å; A488-S491 VanDerWaalsContact O-N 3.16Å; S491-K493 PolarHBondContact O-N 3.4Å; S491-R494 PolarHBondContact O-N 3.39Å |
| 492 | A | 35.6 | Very low | 40.4 | Very low | 75 Ų | 75 | 95.8 Ų | 95.8 | 62% | 0.62 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -16.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | A488 R494 | A488-A492 PolarHBondContact O-N 2.87Å; A488-A492 VanDerWaalsContact O-N 3.11Å; A492-R494 PolarHBondContact O-N 2.87Å |
| 493 | K | 30.8 | Very low | 38.4 | Very low | 195 Ų | 195 | 101.9 Ų | 101.9 | 85% | 0.848 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -5.1 | 172.6 | -89.7 | -175 | 176.4 | 179.6 | 0 | 114.5 | S491 | S491-K493 PolarHBondContact O-N 3.4Š|
| 494 | R | 30.9 | Very low | 36.9 | Very low | 229 Ų | 229 | 103.6 Ų | 103.6 | 86% | 0.864 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -129.3 | 6.2 | -172.5 | -71.9 | -168.7 | -175 | -172 | 2.5 | 117.4 | S491 A492 | S491-R494 PolarHBondContact O-N 3.39Å; A492-R494 PolarHBondContact O-N 2.87Å |
| 495 | L | 29.6 | Very low | 35.8 | Very low | 109 Ų | 109 | 108.5 Ų | 108.5 | 57% | 0.571 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -117.5 | 128.5 | 175.5 | -81.9 | 151.5 | 0 | 0 | 0 | 111.5 | ||
| 496 | P | 30.2 | Very low | 35.2 | Very low | 98 Ų | 98 | 110 Ų | 110 | 64% | 0.636 | 62% | 0.62 | S | S | * | * | trans | -63.3 | 146.9 | -179.5 | 22.6 | -29.7 | 0 | 0 | 0 | 112.4 | G498 | P496-G498 PolarHBondContact O-N 2.94Š| ||
| 497 | Q | 31.2 | Very low | 35.8 | Very low | 210 Ų | 210 | 109.6 Ų | 109.6 | 98% | 0.981 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | 9.9 | -165.5 | -86.6 | 177.9 | -23.2 | 0 | 0 | 118 | ||
| 498 | G | 30.6 | Very low | 37 | Very low | 65 Ų | 65 | 112.2 Ų | 112.2 | 67% | 0.67 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | -34.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | P496 | P496-G498 PolarHBondContact O-N 2.94Š|
| 499 | E | 27 | Very low | 38.8 | Very low | 137 Ų | 137 | 110.8 Ų | 110.8 | 64% | 0.64 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -102.5 | -5.7 | -167.2 | -69.8 | -176.3 | 163.6 | 0 | 0 | 114.5 | A501 | E499-A501 VanDerWaalsContact C-N 3.3Å; E499-A501 PolarHBondContact O-N 2.99Å |
| 500 | A | 27.7 | Very low | 40.9 | Very low | 74 Ų | 74 | 106 Ų | 106 | 61% | 0.612 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -74.9 | -16.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 501 | A | 33.6 | Very low | 43.1 | Very low | 71 Ų | 71 | 100.5 Ų | 100.5 | 59% | 0.587 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -79.3 | -29.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | E499 | E499-A501 VanDerWaalsContact C-N 3.3Å; E499-A501 PolarHBondContact O-N 2.99Å |
| 502 | D | 30.8 | Very low | 45.7 | Very low | 147 Ų | 147 | 103.5 Ų | 103.5 | 79% | 0.786 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -9.3 | -174.1 | -70.9 | -17.3 | 0 | 0 | 0 | 113.5 | ||
| 503 | K | 29.9 | Very low | 48.1 | Very low | 169 Ų | 169 | 100.4 Ų | 100.4 | 74% | 0.735 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.8 | 32.9 | -179.4 | -76.7 | -176.5 | 179.4 | 168.9 | 0 | 113.8 | D505 | K503-D505 PolarHBondContact O-N 2.96Š|
| 504 | C | 40.7 | Very low | 50.7 | Low | 44 Ų | 44 | 93.1 Ų | 93.1 | 30% | 0.297 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -59.5 | 114.3 | 156.9 | -114.9 | 0 | 0 | 0 | 0 | 105.7 | S506 | C504-S506 PolarHBondContact O-N 3.08Š|
| 505 | D | 43.4 | Very low | 53.3 | Low | 103 Ų | 103 | 87.4 Ų | 87.4 | 55% | 0.551 | 50% | 0.498 | S | S | * | . | trans | -61.6 | 81.2 | -176.5 | -104 | -32.7 | 0 | 0 | 0 | 110 | K503 K511 | K503-D505 PolarHBondContact O-N 2.96Å; D505-K511 IonicContact OD1-NZ 3.41Å; D505-K511 PolarHBondContact OD1-NZ 3.15Å | ||
| 506 | S | 52.9 | Low | 55.9 | Low | 52 Ų | 52 | 85.4 Ų | 85.4 | 36% | 0.364 | 49% | 0.493 | S | S | . | . | trans | -75.1 | 142.5 | 178.7 | 71.1 | 0 | 0 | 0 | 0 | 107.4 | C504 S510 K511 | C504-S506 PolarHBondContact O-N 3.08Å; S506-S510 VanDerWaalsContact C-OG 3.27Å; S506-S510 WeakPolarHBondContact CB-OG 3.24Å; S506-S510 PolarHBondContact OG-OG 3.4Å; S506-K511 WeakPolarHBondContact O-CE 3.39Å; S506-K511 WeakPolarHBondContact OG-CG 3.3Å | ||
| 507 | G | 63.4 | Low | 58.7 | Low | 47 Ų | 47 | 82.3 Ų | 82.3 | 49% | 0.485 | 47% | 0.47 | S | S | . | . | trans | -54.2 | 156.6 | -175 | 0 | 0 | 0 | 0 | 0 | 112.3 | A509 S510 K511 | G507-A509 PolarHBondContact O-N 3.49Å; G507-S510 PolarHBondContact N-OG 2.81Å; G507-S510 PolarHBondContact O-N 3.34Å; G507-S510 PolarHBondContact O-OG 2.85Å; G507-K511 PolarHBondContact O-N 3.26Å; G507-K511 VanDerWaalsContact O-N 3.15Å | ||
| 508 | I | 71.3 | Confident | 61.3 | Low | 95 Ų | 95 | 72.3 Ų | 72.3 | 49% | 0.487 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -49.1 | -39.3 | -176.1 | -62.9 | 169 | 0 | 0 | 0 | 112.3 | W310 K511 W512 | W310-I508 HydrophobicContact CH2-CD1 4.35Å; W310-I508 HydrophobicContact CZ3-CD1 3.57Å; I508-K511 PolarHBondContact O-N 2.78Å; I508-W512 PolarHBondContact O-N 3Å |
| 509 | A | 77.2 | Confident | 63.9 | Low | 26 Ų | 26 | 70.7 Ų | 70.7 | 22% | 0.215 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -64.1 | -47.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | G507 K511 W512 F513 W833 | G507-A509 PolarHBondContact O-N 3.49Å; A509-K511 VanDerWaalsContact C-N 3.31Å; A509-K511 PolarHBondContact O-N 2.88Å; A509-W512 WeakPolarHBondContact O-CB 3.31Å; A509-W512 PolarHBondContact O-N 3.38Å; A509-W512 VanDerWaalsContact O-N 3.16Å; A509-F513 VanDerWaalsContact O-CD2 3.25Å; A509-F513 WeakPolarHBondContact O-CD2 3.45Å; A509-F513 PolarHBondContact O-N 2.9Å; A509-W833 HydrophobicContact CB-CB 4.16Å; A509-W833 HydrophobicContact CB-CD2 3.39Å; A509-W833 HydrophobicContact CB-CE3 3.48Å; A509-W833 VanDerWaalsContact CB-CE3 3.48Å; A509-W833 HydrophobicContact CB-CG 3.71Å; A509-W833 HydrophobicContact CB-CZ2 4.45Å; A509-W833 HydrophobicContact CB-CZ3 4.06Å |
| 510 | S | 77.8 | Confident | 66.8 | Low | 16 Ų | 16 | 68 Ų | 68 | 11% | 0.112 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.9 | -38.8 | 177.1 | 66.6 | 0 | 0 | 0 | 0 | 112.2 | S506 G507 W512 F513 V514 | S506-S510 VanDerWaalsContact C-OG 3.27Å; S506-S510 WeakPolarHBondContact CB-OG 3.24Å; S506-S510 PolarHBondContact OG-OG 3.4Å; G507-S510 PolarHBondContact N-OG 2.81Å; G507-S510 PolarHBondContact O-N 3.34Å; G507-S510 PolarHBondContact O-OG 2.85Å; S510-W512 PolarHBondContact O-N 3.16Å; S510-F513 PolarHBondContact O-N 3.47Å; S510-V514 WeakPolarHBondContact O-CG2 3.43Å; S510-V514 PolarHBondContact O-N 2.72Å |
| 511 | K | 79.2 | Confident | 69.7 | Low | 79 Ų | 79 | 64.5 Ų | 64.5 | 34% | 0.343 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.7 | -42 | 174.3 | -70.8 | -178.9 | 177.7 | 168.9 | 0 | 111.1 | D505 S506 G507 I508 A509 F513 V514 D515 | D505-K511 IonicContact OD1-NZ 3.41Å; D505-K511 PolarHBondContact OD1-NZ 3.15Å; S506-K511 WeakPolarHBondContact O-CE 3.39Å; S506-K511 WeakPolarHBondContact OG-CG 3.3Å; G507-K511 PolarHBondContact O-N 3.26Å; G507-K511 VanDerWaalsContact O-N 3.15Å; I508-K511 PolarHBondContact O-N 2.78Å; A509-K511 VanDerWaalsContact C-N 3.31Å; A509-K511 PolarHBondContact O-N 2.88Å; K511-F513 VanDerWaalsContact C-N 3.34Å; K511-F513 PolarHBondContact O-N 2.73Å; K511-V514 PolarHBondContact O-N 2.94Å; K511-D515 VanDerWaalsContact O-CB 3.24Å; K511-D515 WeakPolarHBondContact O-CB 3.37Å; K511-D515 VanDerWaalsContact O-CG 3.29Å; K511-D515 PolarHBondContact O-N 3Å |
| 512 | W | 86.2 | Confident | 72.1 | Confident | 132 Ų | 132 | 62.2 Ų | 62.2 | 50% | 0.5 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.6 | -41.7 | 174.6 | 178.2 | 83.7 | 0 | 0 | 0 | 112.8 | I508 A509 S510 V514 S516 F517 | I508-W512 PolarHBondContact O-N 3Å; A509-W512 WeakPolarHBondContact O-CB 3.31Å; A509-W512 PolarHBondContact O-N 3.38Å; A509-W512 VanDerWaalsContact O-N 3.16Å; S510-W512 PolarHBondContact O-N 3.16Å; W512-V514 VanDerWaalsContact C-N 3.35Å; W512-V514 PolarHBondContact O-N 3.35Å; W512-S516 WeakPolarHBondContact O-CB 3.3Å; W512-S516 PolarHBondContact O-N 3.2Å; W512-F517 HydrophobicContact CE3-CB 4.18Å; W512-F517 HydrophobicContact CH2-CB 3.86Å; W512-F517 AromaticContact CH2-CD2 3.71Å; W512-F517 HydrophobicContact CH2-CD2 3.71Å; W512-F517 AromaticContact CH2-CG 3.88Å; W512-F517 HydrophobicContact CH2-CG 3.88Å; W512-F517 HydrophobicContact CZ2-CB 4.23Å; W512-F517 HydrophobicContact CZ2-CD2 4.33Å; W512-F517 HydrophobicContact CZ3-CB 3.83Å; W512-F517 HydrophobicContact CZ3-CD2 4.27Å; W512-F517 AromaticContact CZ3-CG 3.98Å; W512-F517 HydrophobicContact CZ3-CG 3.98Å; W512-F517 PolarHBondContact O-N 2.88Å; W512-F517 VanDerWaalsContact O-N 3.12Å |
| 513 | F | 86.4 | Confident | 74.8 | Confident | 11 Ų | 11 | 58.3 Ų | 58.3 | 5% | 0.048 | 32% | 0.319 | C | S | . | . | I | π-helix | trans | -60.3 | -43.3 | 174.8 | -83.2 | -73 | 0 | 0 | 0 | 112.1 | A509 S510 K511 F517 A518 L828 W833 V836 I876 | A509-F513 VanDerWaalsContact O-CD2 3.25Å; A509-F513 WeakPolarHBondContact O-CD2 3.45Å; A509-F513 PolarHBondContact O-N 2.9Å; S510-F513 PolarHBondContact O-N 3.47Å; K511-F513 VanDerWaalsContact C-N 3.34Å; K511-F513 PolarHBondContact O-N 2.73Å; F513-F517 HydrophobicContact CD1-CB 4.37Å; F513-F517 AromaticContact CD1-CD1 3.71Å; F513-F517 HydrophobicContact CD1-CD1 3.71Å; F513-F517 HydrophobicContact CD1-CE1 4.41Å; F513-F517 HydrophobicContact CD1-CG 4.32Å; F513-F517 HydrophobicContact CE1-CD1 4Å; F513-F517 HydrophobicContact CE1-CE1 4.33Å; F513-A518 WeakPolarHBondContact O-CB 3.45Å; F513-A518 PolarHBondContact O-N 3.33Å; F513-L828 HydrophobicContact CD1-CB 4.39Å; F513-W833 HydrophobicContact CD2-CB 4.37Å; F513-W833 HydrophobicContact CE2-CB 4.16Å; F513-V836 HydrophobicContact CZ-CG2 4.15Å; F513-I876 HydrophobicContact CE1-CD1 4.47Å; F513-I876 HydrophobicContact CE1-CG2 3.9Å; F513-I876 HydrophobicContact CZ-CD1 4.39Å |
| 514 | V | 84.4 | Confident | 77.5 | Confident | 42 Ų | 42 | 55.3 Ų | 55.3 | 26% | 0.255 | 32% | 0.319 | S | S | . | . | I | π-helix | trans | -74.2 | -43.5 | -179 | 175.8 | 0 | 0 | 0 | 0 | 112.7 | S510 K511 W512 P519 G829 | S510-V514 WeakPolarHBondContact O-CG2 3.43Å; S510-V514 PolarHBondContact O-N 2.72Å; K511-V514 PolarHBondContact O-N 2.94Å; W512-V514 VanDerWaalsContact C-N 3.35Å; W512-V514 PolarHBondContact O-N 3.35Å; V514-P519 VanDerWaalsContact O-CD 3.26Å; V514-P519 WeakPolarHBondContact O-CD 3.29Å; V514-P519 WeakPolarHBondContact O-CG 3.32Å; V514-G829 VanDerWaalsContact CG2-CA 3.43Å |
| 515 | D | 84.9 | Confident | 80 | Confident | 109 Ų | 109 | 60.2 Ų | 60.2 | 58% | 0.583 | 34% | 0.336 | S | S | * | . | I | π-helix | trans | -90.7 | -32 | -167.3 | -65.5 | -22.8 | 0 | 0 | 0 | 113.1 | K511 | K511-D515 VanDerWaalsContact O-CB 3.24Å; K511-D515 WeakPolarHBondContact O-CB 3.37Å; K511-D515 VanDerWaalsContact O-CG 3.29Å; K511-D515 PolarHBondContact O-N 3Å |
| 516 | S | 84.7 | Confident | 82.2 | Confident | 67 Ų | 67 | 55.3 Ų | 55.3 | 47% | 0.469 | 31% | 0.31 | S | S | . | . | I | π-helix | trans | -114.3 | -50.2 | -173.3 | -59.3 | 0 | 0 | 0 | 0 | 112.5 | W512 F520 | W512-S516 WeakPolarHBondContact O-CB 3.3Å; W512-S516 PolarHBondContact O-N 3.2Å; S516-F520 PolarHBondContact O-N 2.89Å |
| 517 | F | 88.9 | Confident | 84.1 | Confident | 33 Ų | 33 | 54.2 Ų | 54.2 | 15% | 0.145 | 30% | 0.298 | C | S | . | . | I | π-helix | trans | -81.9 | -48.8 | -169.7 | -173.6 | -107.6 | 0 | 0 | 0 | 113.8 | W512 F513 F520 L521 L828 I876 V877 | W512-F517 HydrophobicContact CE3-CB 4.18Å; W512-F517 HydrophobicContact CH2-CB 3.86Å; W512-F517 AromaticContact CH2-CD2 3.71Å; W512-F517 HydrophobicContact CH2-CD2 3.71Å; W512-F517 AromaticContact CH2-CG 3.88Å; W512-F517 HydrophobicContact CH2-CG 3.88Å; W512-F517 HydrophobicContact CZ2-CB 4.23Å; W512-F517 HydrophobicContact CZ2-CD2 4.33Å; W512-F517 HydrophobicContact CZ3-CB 3.83Å; W512-F517 HydrophobicContact CZ3-CD2 4.27Å; W512-F517 AromaticContact CZ3-CG 3.98Å; W512-F517 HydrophobicContact CZ3-CG 3.98Å; W512-F517 PolarHBondContact O-N 2.88Å; W512-F517 VanDerWaalsContact O-N 3.12Å; F513-F517 HydrophobicContact CD1-CB 4.37Å; F513-F517 AromaticContact CD1-CD1 3.71Å; F513-F517 HydrophobicContact CD1-CD1 3.71Å; F513-F517 HydrophobicContact CD1-CE1 4.41Å; F513-F517 HydrophobicContact CD1-CG 4.32Å; F513-F517 HydrophobicContact CE1-CD1 4Å; F513-F517 HydrophobicContact CE1-CE1 4.33Å; F517-F520 WeakPolarHBondContact O-CB 3.48Å; F517-F520 PolarHBondContact O-N 3.18Å; F517-L521 HydrophobicContact CD1-CD1 3.95Å; F517-L521 HydrophobicContact CE1-CD1 3.34Å; F517-L521 HydrophobicContact CE1-CG 4.12Å; F517-L521 HydrophobicContact CE2-CD1 4.45Å; F517-L521 HydrophobicContact CE2-CG 4.44Å; F517-L521 HydrophobicContact CZ-CD1 3.63Å; F517-L521 HydrophobicContact CZ-CD2 4.26Å; F517-L521 HydrophobicContact CZ-CG 4.07Å; F517-L521 PolarHBondContact O-N 3Å; F517-L521 VanDerWaalsContact O-N 3.08Å; F517-L828 HydrophobicContact CD1-CD1 4Å; F517-L828 HydrophobicContact CE1-CD1 4.09Å; F517-I876 HydrophobicContact CD1-CG2 4.37Å; F517-I876 HydrophobicContact CE1-CG2 3.4Å; F517-I876 VanDerWaalsContact CE1-CG2 3.4Å; F517-I876 HydrophobicContact CZ-CG2 3.81Å; F517-V877 HydrophobicContact CZ-CG2 4.2Å |
| 518 | A | 85.9 | Confident | 85.5 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.7 | -39.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | F513 L521 S522 I824 R825 L828 | F513-A518 WeakPolarHBondContact O-CB 3.45Å; F513-A518 PolarHBondContact O-N 3.33Å; A518-L521 PolarHBondContact O-N 2.76Å; A518-S522 PolarHBondContact O-N 3.4Å; A518-S522 VanDerWaalsContact O-N 3.13Å; A518-S522 PolarHBondContact O-OG 2.77Å; A518-I824 HydrophobicContact CB-CG2 4.13Å; A518-R825 HydrophobicContact CB-CB 4.25Å; A518-R825 HydrophobicContact CB-CG 3.71Å; A518-L828 HydrophobicContact CB-CD1 4.03Å |
| 519 | P | 85.4 | Confident | 86.6 | Confident | 30 Ų | 30 | 52.9 Ų | 52.9 | 20% | 0.195 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 173.4 | -24.6 | 37.1 | 0 | 0 | 0 | 112 | V514 L521 S522 T523 | V514-P519 VanDerWaalsContact O-CD 3.26Å; V514-P519 WeakPolarHBondContact O-CD 3.29Å; V514-P519 WeakPolarHBondContact O-CG 3.32Å; P519-L521 PolarHBondContact O-N 2.97Å; P519-S522 WeakPolarHBondContact O-CB 3.35Å; P519-S522 PolarHBondContact O-N 3.4Å; P519-S522 VanDerWaalsContact O-N 3.08Å; P519-T523 WeakPolarHBondContact O-CG2 3.13Å; P519-T523 PolarHBondContact O-N 3.25Å |
| 520 | F | 88.9 | Confident | 87.5 | Confident | 81 Ų | 81 | 51.8 Ų | 51.8 | 36% | 0.355 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -56.8 | -49.4 | 175.9 | 171 | -101.6 | 0 | 0 | 0 | 111.7 | S516 F517 S522 T523 F525 I529 | S516-F520 PolarHBondContact O-N 2.89Å; F517-F520 WeakPolarHBondContact O-CB 3.48Å; F517-F520 PolarHBondContact O-N 3.18Å; F520-S522 PolarHBondContact O-N 3.47Å; F520-T523 PolarHBondContact O-N 2.91Å; F520-T523 PolarHBondContact O-OG1 3.31Å; F520-F525 HydrophobicContact CE2-CD1 4.5Å; F520-I529 HydrophobicContact CE2-CD1 4.46Å; F520-I529 HydrophobicContact CZ-CD1 4.13Å |
| 521 | L | 87.5 | Confident | 88.3 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64 | -24.2 | 177.4 | -68 | -178.2 | 0 | 0 | 0 | 113.8 | F517 A518 P519 K527 V530 L828 V877 V881 | F517-L521 HydrophobicContact CD1-CD1 3.95Å; F517-L521 HydrophobicContact CE1-CD1 3.34Å; F517-L521 HydrophobicContact CE1-CG 4.12Å; F517-L521 HydrophobicContact CE2-CD1 4.45Å; F517-L521 HydrophobicContact CE2-CG 4.44Å; F517-L521 HydrophobicContact CZ-CD1 3.63Å; F517-L521 HydrophobicContact CZ-CD2 4.26Å; F517-L521 HydrophobicContact CZ-CG 4.07Å; F517-L521 PolarHBondContact O-N 3Å; F517-L521 VanDerWaalsContact O-N 3.08Å; A518-L521 PolarHBondContact O-N 2.76Å; P519-L521 PolarHBondContact O-N 2.97Å; L521-K527 WeakPolarHBondContact O-CG 3.45Å; L521-V530 HydrophobicContact CD2-CG2 3.75Å; L521-L828 HydrophobicContact CD1-CD1 3.72Å; L521-V877 HydrophobicContact CD2-CG1 4.38Å; L521-V881 HydrophobicContact CB-CG2 4.35Å; L521-V881 HydrophobicContact CD2-CG2 4.05Å |
| 522 | S | 84.3 | Confident | 89.1 | Confident | 23 Ų | 23 | 55.3 Ų | 55.3 | 16% | 0.161 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -79.5 | -23.6 | 178.7 | -59.7 | 0 | 0 | 0 | 0 | 112.6 | A518 P519 F520 K527 | A518-S522 PolarHBondContact O-N 3.4Å; A518-S522 VanDerWaalsContact O-N 3.13Å; A518-S522 PolarHBondContact O-OG 2.77Å; P519-S522 WeakPolarHBondContact O-CB 3.35Å; P519-S522 PolarHBondContact O-N 3.4Å; P519-S522 VanDerWaalsContact O-N 3.08Å; F520-S522 PolarHBondContact O-N 3.47Å; S522-K527 WeakPolarHBondContact O-CE 3.28Å |
| 523 | T | 87.7 | Confident | 89.6 | Confident | 65 Ų | 65 | 53.6 Ų | 53.6 | 40% | 0.399 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -70.3 | 146.8 | 178.5 | 66.1 | 0 | 0 | 0 | 0 | 112.7 | P519 F520 F525 G526 K527 | P519-T523 WeakPolarHBondContact O-CG2 3.13Å; P519-T523 PolarHBondContact O-N 3.25Å; F520-T523 PolarHBondContact O-N 2.91Å; F520-T523 PolarHBondContact O-OG1 3.31Å; T523-F525 PolarHBondContact O-N 2.79Å; T523-G526 PolarHBondContact O-N 3.24Å; T523-G526 PolarHBondContact OG1-N 3.27Å; T523-K527 WeakPolarHBondContact O-CG 3.31Å; T523-K527 PolarHBondContact O-N 3.07Å |
| 524 | S | 87.2 | Confident | 90 | Very high | 106 Ų | 106 | 55 Ų | 55 | 74% | 0.741 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -58.9 | -35.6 | 175.7 | -53 | 0 | 0 | 0 | 0 | 112.9 | A528 | S524-A528 PolarHBondContact O-N 3.18Å |
| 525 | F | 91.8 | Very high | 90.6 | Very high | 146 Ų | 146 | 57.1 Ų | 57.1 | 64% | 0.64 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -66 | -47.9 | 175.5 | 178.4 | -108.1 | 0 | 0 | 0 | 112 | F520 T523 K527 A528 I529 | F520-F525 HydrophobicContact CE2-CD1 4.5Å; T523-F525 PolarHBondContact O-N 2.79Å; F525-K527 VanDerWaalsContact C-N 3.33Å; F525-K527 PolarHBondContact O-N 2.95Å; F525-A528 PolarHBondContact O-N 2.94Å; F525-I529 HydrophobicContact CD1-CD1 3.89Å; F525-I529 HydrophobicContact CE1-CD1 3.36Å; F525-I529 HydrophobicContact CE1-CG1 4.48Å; F525-I529 HydrophobicContact CE2-CD1 4.16Å; F525-I529 HydrophobicContact CZ-CD1 3.53Å; F525-I529 HydrophobicContact CZ-CG1 4.36Å; F525-I529 PolarHBondContact O-N 3.39Å; F525-I529 VanDerWaalsContact O-N 3.08Å |
| 526 | G | 90.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.4 | -43.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T523 A528 I529 V530 | T523-G526 PolarHBondContact O-N 3.24Å; T523-G526 PolarHBondContact OG1-N 3.27Å; G526-A528 PolarHBondContact O-N 3.31Å; G526-I529 PolarHBondContact O-N 3.37Å; G526-V530 VanDerWaalsContact O-CG2 3.32Å; G526-V530 WeakPolarHBondContact O-CG2 3.36Å; G526-V530 PolarHBondContact O-N 3.06Å |
| 527 | K | 91.7 | Very high | 91.7 | Very high | 29 Ų | 29 | 54.1 Ų | 54.1 | 13% | 0.126 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.1 | -44 | 174.8 | -68.1 | 176.5 | 178.2 | -179.6 | 0 | 112.4 | L521 S522 T523 F525 V530 V531 V881 S884 L885 | L521-K527 WeakPolarHBondContact O-CG 3.45Å; S522-K527 WeakPolarHBondContact O-CE 3.28Å; T523-K527 WeakPolarHBondContact O-CG 3.31Å; T523-K527 PolarHBondContact O-N 3.07Å; F525-K527 VanDerWaalsContact C-N 3.33Å; F525-K527 PolarHBondContact O-N 2.95Å; K527-V530 PolarHBondContact O-N 3.36Å; K527-V531 WeakPolarHBondContact O-CG2 3.45Å; K527-V531 PolarHBondContact O-N 3.29Å; K527-V881 HydrophobicContact CB-CG1 4.19Å; K527-V881 HydrophobicContact CG-CG1 4.03Å; K527-S884 WeakPolarHBondContact CE-OG 3.45Å; K527-S884 PolarHBondContact NZ-OG 3.34Å; K527-L885 HydrophobicContact CD-CD2 4.09Å |
| 528 | A | 93.5 | Very high | 92.1 | Very high | 59 Ų | 59 | 55 Ų | 55 | 49% | 0.488 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S524 F525 G526 V531 L532 | S524-A528 PolarHBondContact O-N 3.18Å; F525-A528 PolarHBondContact O-N 2.94Å; G526-A528 PolarHBondContact O-N 3.31Å; A528-V531 PolarHBondContact O-N 2.94Å; A528-L532 WeakPolarHBondContact O-CB 3.18Å; A528-L532 PolarHBondContact O-N 2.98Å |
| 529 | I | 95 | Very high | 92.6 | Very high | 56 Ų | 56 | 57.9 Ų | 57.9 | 29% | 0.287 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61 | -46.9 | 174.6 | -69.7 | 170.7 | 0 | 0 | 0 | 110.7 | F520 F525 G526 V531 L532 L533 | F520-I529 HydrophobicContact CE2-CD1 4.46Å; F520-I529 HydrophobicContact CZ-CD1 4.13Å; F525-I529 HydrophobicContact CD1-CD1 3.89Å; F525-I529 HydrophobicContact CE1-CD1 3.36Å; F525-I529 HydrophobicContact CE1-CG1 4.48Å; F525-I529 HydrophobicContact CE2-CD1 4.16Å; F525-I529 HydrophobicContact CZ-CD1 3.53Å; F525-I529 HydrophobicContact CZ-CG1 4.36Å; F525-I529 PolarHBondContact O-N 3.39Å; F525-I529 VanDerWaalsContact O-N 3.08Å; G526-I529 PolarHBondContact O-N 3.37Å; I529-V531 PolarHBondContact O-N 2.98Å; I529-L532 PolarHBondContact O-N 3.44Å; I529-L533 HydrophobicContact CG2-CD1 3.94Å; I529-L533 HydrophobicContact CG2-CG 4.32Å; I529-L533 WeakPolarHBondContact O-CG 3.22Å; I529-L533 PolarHBondContact O-N 3.34Å |
| 530 | V | 94.7 | Very high | 93.1 | Very high | 3 Ų | 3 | 57.7 Ų | 57.7 | 2% | 0.018 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.2 | -42.6 | -178.3 | 172.8 | 0 | 0 | 0 | 0 | 111.4 | L521 G526 K527 L533 Y534 V877 F878 V881 | L521-V530 HydrophobicContact CD2-CG2 3.75Å; G526-V530 VanDerWaalsContact O-CG2 3.32Å; G526-V530 WeakPolarHBondContact O-CG2 3.36Å; G526-V530 PolarHBondContact O-N 3.06Å; K527-V530 PolarHBondContact O-N 3.36Å; V530-L533 PolarHBondContact O-N 2.68Å; V530-Y534 WeakPolarHBondContact O-CB 3.4Å; V530-Y534 PolarHBondContact O-N 2.84Å; V530-V877 HydrophobicContact CG1-CG1 4.01Å; V530-V877 HydrophobicContact CG2-CG1 3.79Å; V530-F878 HydrophobicContact CG1-CD1 3.64Å; V530-F878 HydrophobicContact CG1-CE1 4.21Å; V530-V881 HydrophobicContact CB-CG1 4.43Å; V530-V881 HydrophobicContact CB-CG2 4.16Å; V530-V881 HydrophobicContact CG1-CB 4.01Å; V530-V881 HydrophobicContact CG1-CG1 4.19Å; V530-V881 HydrophobicContact CG1-CG2 3.9Å; V530-V881 HydrophobicContact CG2-CG2 4.2Å |
| 531 | V | 94.4 | Very high | 93.5 | Very high | 55 Ų | 55 | 53.9 Ų | 53.9 | 33% | 0.333 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.9 | -41.3 | 175.5 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | K527 A528 I529 Y534 V535 L885 | K527-V531 WeakPolarHBondContact O-CG2 3.45Å; K527-V531 PolarHBondContact O-N 3.29Å; A528-V531 PolarHBondContact O-N 2.94Å; I529-V531 PolarHBondContact O-N 2.98Å; V531-Y534 WeakPolarHBondContact O-CB 3.46Å; V531-Y534 PolarHBondContact O-N 2.92Å; V531-V535 WeakPolarHBondContact O-CG2 3.32Å; V531-V535 PolarHBondContact O-N 3.33Å; V531-L885 HydrophobicContact CG2-CD1 4.19Å |
| 532 | L | 96.3 | Very high | 93.9 | Very high | 114 Ų | 114 | 58.4 Ų | 58.4 | 60% | 0.597 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.9 | -47.2 | 176.2 | -179.8 | 66.5 | 0 | 0 | 0 | 111.7 | A528 I529 Y534 V535 V536 | A528-L532 WeakPolarHBondContact O-CB 3.18Å; A528-L532 PolarHBondContact O-N 2.98Å; I529-L532 PolarHBondContact O-N 3.44Å; L532-Y534 VanDerWaalsContact C-N 3.28Å; L532-Y534 PolarHBondContact O-N 3.22Å; L532-V535 PolarHBondContact O-N 3.47Å; L532-V536 WeakPolarHBondContact O-CG2 3.31Å; L532-V536 PolarHBondContact O-N 3.47Å |
| 533 | L | 96.2 | Very high | 94.4 | Very high | 96 Ų | 96 | 64 Ų | 64 | 50% | 0.503 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61 | -38.9 | 177 | -71.4 | 175.1 | 0 | 0 | 0 | 111.7 | I529 V530 V536 Y537 F878 | I529-L533 HydrophobicContact CG2-CD1 3.94Å; I529-L533 HydrophobicContact CG2-CG 4.32Å; I529-L533 WeakPolarHBondContact O-CG 3.22Å; I529-L533 PolarHBondContact O-N 3.34Å; V530-L533 PolarHBondContact O-N 2.68Å; L533-V536 PolarHBondContact O-N 2.92Å; L533-Y537 VanDerWaalsContact O-CB 3.31Å; L533-Y537 WeakPolarHBondContact O-CB 3.28Å; L533-Y537 PolarHBondContact O-N 3.44Å; L533-F878 HydrophobicContact CB-CE1 4.3Å |
| 534 | Y | 96.4 | Very high | 94.7 | Very high | 41 Ų | 41 | 60.9 Ų | 60.9 | 16% | 0.161 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.7 | -43.9 | 175.9 | -177.7 | -102.1 | 0 | 0 | 0 | 112.4 | V530 V531 L532 V536 Y537 L538 S770 H874 F878 F882 | V530-Y534 WeakPolarHBondContact O-CB 3.4Å; V530-Y534 PolarHBondContact O-N 2.84Å; V531-Y534 WeakPolarHBondContact O-CB 3.46Å; V531-Y534 PolarHBondContact O-N 2.92Å; L532-Y534 VanDerWaalsContact C-N 3.28Å; L532-Y534 PolarHBondContact O-N 3.22Å; Y534-V536 PolarHBondContact O-N 3.37Å; Y534-Y537 HydrophobicContact CD2-CD1 4.23Å; Y534-Y537 HydrophobicContact CE2-CD1 4.3Å; Y534-Y537 HydrophobicContact CE2-CE1 4.41Å; Y534-Y537 PolarHBondContact O-N 3.41Å; Y534-L538 HydrophobicContact CE1-CD2 4.11Å; Y534-L538 VanDerWaalsContact O-CB 3.31Å; Y534-L538 WeakPolarHBondContact O-CB 3.33Å; Y534-L538 PolarHBondContact O-N 3.49Å; Y534-S770 VanDerWaalsContact CE2-OG 3.23Å; Y534-S770 WeakPolarHBondContact CE2-OG 3.31Å; Y534-S770 WeakPolarHBondContact OH-CB 3.38Å; Y534-S770 PolarHBondContact OH-OG 2.88Å; Y534-H874 AromaticContact CE2-NE2 3.96Å; Y534-F878 HydrophobicContact CD2-CB 4.45Å; Y534-F878 HydrophobicContact CD2-CD1 4.04Å; Y534-F878 AromaticContact CD2-CD2 3.91Å; Y534-F878 HydrophobicContact CD2-CD2 3.91Å; Y534-F878 HydrophobicContact CD2-CE1 4.25Å; Y534-F878 HydrophobicContact CD2-CE2 4.09Å; Y534-F878 AromaticContact CD2-CG 3.9Å; Y534-F878 HydrophobicContact CD2-CG 3.9Å; Y534-F878 HydrophobicContact CD2-CZ 4.28Å; Y534-F878 HydrophobicContact CG-CD1 4.45Å; Y534-F882 HydrophobicContact CD1-CE1 4.48Å; Y534-F882 HydrophobicContact CD1-CE2 4.44Å; Y534-F882 AromaticContact CD1-CZ 3.62Å; Y534-F882 HydrophobicContact CD1-CZ 3.62Å; Y534-F882 AromaticContact CD2-CE2 3.94Å; Y534-F882 HydrophobicContact CD2-CE2 3.94Å; Y534-F882 AromaticContact CD2-CZ 3.79Å; Y534-F882 HydrophobicContact CD2-CZ 3.79Å; Y534-F882 HydrophobicContact CE1-CE2 4.38Å; Y534-F882 AromaticContact CE1-CZ 3.86Å; Y534-F882 HydrophobicContact CE1-CZ 3.86Å; Y534-F882 AromaticContact CE2-CE2 3.9Å; Y534-F882 HydrophobicContact CE2-CE2 3.9Å; Y534-F882 HydrophobicContact CE2-CZ 4.03Å; Y534-F882 HydrophobicContact CG-CE2 4.22Å; Y534-F882 AromaticContact CG-CZ 3.58Å; Y534-F882 HydrophobicContact CG-CZ 3.58Å |
| 535 | V | 96.3 | Very high | 95 | Very high | 85 Ų | 85 | 57.8 Ų | 57.8 | 52% | 0.515 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.2 | -41.6 | 177.4 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | V531 L532 L538 A539 | V531-V535 WeakPolarHBondContact O-CG2 3.32Å; V531-V535 PolarHBondContact O-N 3.33Å; L532-V535 PolarHBondContact O-N 3.47Å; V535-L538 PolarHBondContact O-N 3.34Å; V535-A539 WeakPolarHBondContact O-CB 3.37Å; V535-A539 PolarHBondContact O-N 3.31Å |
| 536 | V | 96.6 | Very high | 95 | Very high | 91 Ų | 91 | 55.3 Ų | 55.3 | 55% | 0.552 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -63.7 | -46.5 | 176.2 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | L532 L533 Y534 A539 A540 | L532-V536 WeakPolarHBondContact O-CG2 3.31Å; L532-V536 PolarHBondContact O-N 3.47Å; L533-V536 PolarHBondContact O-N 2.92Å; Y534-V536 PolarHBondContact O-N 3.37Å; V536-A539 PolarHBondContact O-N 3.48Å; V536-A540 PolarHBondContact O-N 3.2Å; V536-A540 VanDerWaalsContact O-N 3.07Å |
| 537 | Y | 97 | Very high | 94.9 | Very high | 23 Ų | 23 | 60.5 Ų | 60.5 | 9% | 0.09 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57.2 | -49.8 | 175.4 | 158.1 | -97 | 0 | 0 | 0 | 111.5 | L533 Y534 A539 A540 A541 S770 G774 Y778 I870 H874 | L533-Y537 VanDerWaalsContact O-CB 3.31Å; L533-Y537 WeakPolarHBondContact O-CB 3.28Å; L533-Y537 PolarHBondContact O-N 3.44Å; Y534-Y537 HydrophobicContact CD2-CD1 4.23Å; Y534-Y537 HydrophobicContact CE2-CD1 4.3Å; Y534-Y537 HydrophobicContact CE2-CE1 4.41Å; Y534-Y537 PolarHBondContact O-N 3.41Å; Y537-A539 PolarHBondContact O-N 3.03Å; Y537-A540 PolarHBondContact O-N 3.03Å; Y537-A541 WeakPolarHBondContact O-CB 3.2Å; Y537-A541 PolarHBondContact O-N 2.85Å; Y537-S770 PolarHBondContact OH-O 3.23Å; Y537-G774 WeakPolarHBondContact OH-CA 3.39Å; Y537-Y778 AromaticContact CD2-CE2 3.65Å; Y537-Y778 HydrophobicContact CD2-CE2 3.65Å; Y537-Y778 HydrophobicContact CE2-CD2 4.31Å; Y537-Y778 AromaticContact CE2-CE2 3.61Å; Y537-Y778 HydrophobicContact CE2-CE2 3.61Å; Y537-I870 HydrophobicContact CE2-CD1 4.22Å; Y537-I870 HydrophobicContact CE2-CG1 4.29Å; Y537-I870 HydrophobicContact CE2-CG2 3.92Å; Y537-I870 WeakPolarHBondContact OH-CG2 3.38Å; Y537-H874 AromaticContact CE1-CE1 3.53Å; Y537-H874 AromaticContact CE1-NE2 3.73Å; Y537-H874 AromaticContact CZ-CE1 3.5Å; Y537-H874 PolarHBondContact OH-CE1 3.2Å |
| 538 | L | 95.9 | Very high | 94.6 | Very high | 51 Ų | 51 | 61.4 Ų | 61.4 | 27% | 0.267 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.7 | -39.3 | -177.6 | -175.3 | 62.6 | 0 | 0 | 0 | 111.6 | Y534 V535 A541 I542 | Y534-L538 HydrophobicContact CE1-CD2 4.11Å; Y534-L538 VanDerWaalsContact O-CB 3.31Å; Y534-L538 WeakPolarHBondContact O-CB 3.33Å; Y534-L538 PolarHBondContact O-N 3.49Å; V535-L538 PolarHBondContact O-N 3.34Å; L538-A541 PolarHBondContact O-N 2.94Å; L538-I542 HydrophobicContact CD1-CD1 4.11Å; L538-I542 HydrophobicContact CD1-CG1 4.29Å; L538-I542 HydrophobicContact CG-CD1 3.85Å; L538-I542 HydrophobicContact CG-CG1 4.45Å; L538-I542 WeakPolarHBondContact O-CB 3.39Å; L538-I542 VanDerWaalsContact O-CG1 3.24Å; L538-I542 WeakPolarHBondContact O-CG1 3.42Å; L538-I542 PolarHBondContact O-N 3.35Å |
| 539 | A | 96.9 | Very high | 94.1 | Very high | 60 Ų | 60 | 65.7 Ų | 65.7 | 50% | 0.496 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V535 V536 Y537 Y543 | V535-A539 WeakPolarHBondContact O-CB 3.37Å; V535-A539 PolarHBondContact O-N 3.31Å; V536-A539 PolarHBondContact O-N 3.48Å; Y537-A539 PolarHBondContact O-N 3.03Å; A539-Y543 WeakPolarHBondContact O-CB 3.31Å; A539-Y543 PolarHBondContact O-N 3.14Å |
| 540 | A | 96.5 | Very high | 93.4 | Very high | 27 Ų | 27 | 67.5 Ų | 67.5 | 22% | 0.223 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67.4 | -41.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | V536 Y537 Y543 G544 Y778 | V536-A540 PolarHBondContact O-N 3.2Å; V536-A540 VanDerWaalsContact O-N 3.07Å; Y537-A540 PolarHBondContact O-N 3.03Å; A540-Y543 PolarHBondContact O-N 3.25Å; A540-G544 PolarHBondContact O-N 3.25Å; A540-Y778 HydrophobicContact CB-CE1 4.27Å; A540-Y778 WeakPolarHBondContact CB-OH 3.37Å |
| 541 | A | 96.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.3 | -50.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y537 L538 Y543 G544 C545 G777 Y778 | Y537-A541 WeakPolarHBondContact O-CB 3.2Å; Y537-A541 PolarHBondContact O-N 2.85Å; L538-A541 PolarHBondContact O-N 2.94Å; A541-Y543 VanDerWaalsContact C-N 3.32Å; A541-Y543 PolarHBondContact O-N 2.97Å; A541-G544 PolarHBondContact O-N 3.41Å; A541-G544 VanDerWaalsContact O-N 3.14Å; A541-C545 PolarHBondContact O-N 3.4Å; A541-C545 PolarHBondContact O-SG 2.84Å; A541-C545 VanDerWaalsContact O-SG 3.33Å; A541-G777 WeakPolarHBondContact O-CA 3.32Å; A541-Y778 HydrophobicContact CB-CE2 4.47Å |
| 542 | I | 95.6 | Very high | 91.2 | Very high | 97 Ų | 97 | 65 Ų | 65 | 50% | 0.497 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.8 | -42.6 | 178.4 | -68.2 | 167.3 | 0 | 0 | 0 | 110.7 | L538 G544 C545 T546 | L538-I542 HydrophobicContact CD1-CD1 4.11Å; L538-I542 HydrophobicContact CD1-CG1 4.29Å; L538-I542 HydrophobicContact CG-CD1 3.85Å; L538-I542 HydrophobicContact CG-CG1 4.45Å; L538-I542 WeakPolarHBondContact O-CB 3.39Å; L538-I542 VanDerWaalsContact O-CG1 3.24Å; L538-I542 WeakPolarHBondContact O-CG1 3.42Å; L538-I542 PolarHBondContact O-N 3.35Å; I542-G544 VanDerWaalsContact C-N 3.34Å; I542-G544 PolarHBondContact O-N 3.14Å; I542-C545 WeakPolarHBondContact O-CB 3.4Å; I542-C545 PolarHBondContact O-N 3.5Å; I542-T546 PolarHBondContact O-N 3.41Å |
| 543 | Y | 96 | Very high | 90.4 | Very high | 140 Ų | 140 | 62.7 Ų | 62.7 | 55% | 0.549 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58.3 | -46 | 175 | 176.7 | -99.8 | 0 | 0 | 0 | 111.7 | A539 A540 A541 C545 T546 M781 | A539-Y543 WeakPolarHBondContact O-CB 3.31Å; A539-Y543 PolarHBondContact O-N 3.14Å; A540-Y543 PolarHBondContact O-N 3.25Å; A541-Y543 VanDerWaalsContact C-N 3.32Å; A541-Y543 PolarHBondContact O-N 2.97Å; Y543-C545 VanDerWaalsContact C-N 3.32Å; Y543-C545 PolarHBondContact O-N 3.42Å; Y543-T546 PolarHBondContact O-N 2.93Å; Y543-T546 VanDerWaalsContact O-N 3.09Å; Y543-T546 PolarHBondContact O-OG1 3.14Å; Y543-M781 HydrophobicContact CD1-SD 4.41Å |
| 544 | G | 94.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.9 | -39.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | A540 A541 I542 T546 Q547 G777 T780 | A540-G544 PolarHBondContact O-N 3.25Å; A541-G544 PolarHBondContact O-N 3.41Å; A541-G544 VanDerWaalsContact O-N 3.14Å; I542-G544 VanDerWaalsContact C-N 3.34Å; I542-G544 PolarHBondContact O-N 3.14Å; G544-T546 PolarHBondContact O-N 3.24Å; G544-Q547 PolarHBondContact O-N 3.27Å; G544-G777 WeakPolarHBondContact CA-O 3.23Å; G544-T780 VanDerWaalsContact C-OG1 3.3Å; G544-T780 PolarHBondContact O-OG1 3.46Å |
| 545 | C | 92.8 | Very high | 88.7 | Confident | 41 Ų | 41 | 58.1 Ų | 58.1 | 28% | 0.277 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.1 | -21.4 | 176 | -66.5 | 0 | 0 | 0 | 0 | 113.4 | A541 I542 Y543 Q547 I548 A773 | A541-C545 PolarHBondContact O-N 3.4Å; A541-C545 PolarHBondContact O-SG 2.84Å; A541-C545 VanDerWaalsContact O-SG 3.33Å; I542-C545 WeakPolarHBondContact O-CB 3.4Å; I542-C545 PolarHBondContact O-N 3.5Å; Y543-C545 VanDerWaalsContact C-N 3.32Å; Y543-C545 PolarHBondContact O-N 3.42Å; C545-Q547 VanDerWaalsContact C-N 3.29Å; C545-I548 WeakPolarHBondContact O-CD1 3.26Å; C545-I548 WeakPolarHBondContact O-CG1 3.41Å; C545-A773 PolarHBondContact SG-O 3.44Å |
| 546 | T | 92 | Very high | 88.2 | Confident | 94 Ų | 94 | 56 Ų | 56 | 58% | 0.577 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -12.6 | 174.4 | 68.9 | 0 | 0 | 0 | 0 | 113.8 | I542 Y543 G544 | I542-T546 PolarHBondContact O-N 3.41Å; Y543-T546 PolarHBondContact O-N 2.93Å; Y543-T546 VanDerWaalsContact O-N 3.09Å; Y543-T546 PolarHBondContact O-OG1 3.14Å; G544-T546 PolarHBondContact O-N 3.24Å |
| 547 | Q | 89.1 | Confident | 87.4 | Confident | 109 Ų | 109 | 51.8 Ų | 51.8 | 51% | 0.509 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | 29.4 | -174.5 | -60.5 | -65.2 | -29 | 0 | 0 | 111.9 | G544 C545 K549 | G544-Q547 PolarHBondContact O-N 3.27Å; C545-Q547 VanDerWaalsContact C-N 3.29Å; Q547-K549 PolarHBondContact O-N 3.23Å |
| 548 | I | 86 | Confident | 86.8 | Confident | 47 Ų | 47 | 50.9 Ų | 50.9 | 24% | 0.241 | 27% | 0.266 | C | S | . | . | trans | -63 | 131.9 | 179.4 | -71.4 | 166.7 | 0 | 0 | 0 | 110 | C545 E550 I776 T780 I786 | C545-I548 WeakPolarHBondContact O-CD1 3.26Å; C545-I548 WeakPolarHBondContact O-CG1 3.41Å; I548-E550 HydrophobicContact CG2-CG 4.15Å; I548-I776 HydrophobicContact CD1-CG2 4.04Å; I548-I776 HydrophobicContact CG1-CG2 4.38Å; I548-T780 HydrophobicContact CB-CG2 4.24Å; I548-T780 HydrophobicContact CG1-CG2 3.69Å; I548-I786 HydrophobicContact CB-CD1 4.34Å; I548-I786 HydrophobicContact CD1-CD1 3.85Å; I548-I786 HydrophobicContact CG1-CD1 3.93Å; I548-I786 HydrophobicContact CG2-CB 4.35Å; I548-I786 HydrophobicContact CG2-CD1 3.45Å; I548-I786 VanDerWaalsContact CG2-CD1 3.45Å; I548-I786 HydrophobicContact CG2-CG1 3.85Å | ||
| 549 | K | 81.7 | Confident | 86.2 | Confident | 149 Ų | 149 | 49.2 Ų | 49.2 | 65% | 0.648 | 26% | 0.258 | S | S | * | . | trans | -107 | 135 | 167.1 | -65.5 | -178.2 | 179.2 | -178.2 | 0 | 108.3 | Q547 S785 I786 | Q547-K549 PolarHBondContact O-N 3.23Å; K549-S785 CarbonylContact O-C 3.6Å; K549-S785 WeakPolarHBondContact O-CA 3.18Å; K549-S785 WeakPolarHBondContact O-CB 3.24Å; K549-I786 PolarHBondContact O-N 3.15Å | ||
| 550 | E | 80.5 | Confident | 85.4 | Confident | 95 Ų | 95 | 52.2 Ų | 52.2 | 44% | 0.444 | 26% | 0.262 | S | S | . | . | B | Isolated β-bridge | trans | -106.3 | 147 | -174.4 | -65.1 | 172.8 | -159.6 | 0 | 0 | 111.7 | I548 | I548-E550 HydrophobicContact CG2-CG 4.15Å |
| 551 | G | 69.7 | Low | 84.8 | Confident | 5 Ų | 5 | 56.5 Ų | 56.5 | 5% | 0.052 | 28% | 0.281 | C | S | . | . | trans | 98.6 | 156 | 164.2 | 0 | 0 | 0 | 0 | 0 | 116 | Y729 S785 I786 | G551-Y729 VanDerWaalsContact CA-CE1 3.44Å; G551-S785 PolarHBondContact O-OG 2.98Å; G551-I786 PolarHBondContact N-O 2.96Å | ||
| 552 | L | 73.1 | Confident | 84.4 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | trans | -103.1 | 114.6 | 171.1 | -166.5 | 59.2 | 0 | 0 | 0 | 109.8 | Y67 N556 L557 Y729 D787 I789 Y855 | Y67-L552 HydrophobicContact CD1-CD2 4.29Å; L552-N556 HydrophobicContact CD1-CB 3.76Å; L552-L557 HydrophobicContact CD2-CD1 4.2Å; L552-L557 HydrophobicContact CD2-CD2 3.53Å; L552-L557 HydrophobicContact CD2-CG 3.77Å; L552-L557 HydrophobicContact CG-CG 4.34Å; L552-Y729 VanDerWaalsContact N-CE1 3.34Å; L552-Y729 WeakPolarHBondContact O-CE1 3.42Å; L552-Y729 PolarHBondContact O-OH 3.33Å; L552-D787 HydrophobicContact CB-CB 3.9Å; L552-D787 HydrophobicContact CD1-CB 4.12Å; L552-I789 HydrophobicContact CD1-CD1 4.09Å; L552-I789 HydrophobicContact CD2-CD1 4.16Å; L552-Y855 HydrophobicContact CD1-CD1 4.47Å; L552-Y855 HydrophobicContact CD1-CE1 4.05Å | ||
| 553 | E | 79.3 | Confident | 84.2 | Confident | 65 Ų | 65 | 53.8 Ų | 53.8 | 30% | 0.304 | 27% | 0.266 | S | S | . | . | trans | -71.7 | 138 | 166.2 | -63.3 | -178 | 163.4 | 0 | 0 | 109.1 | V555 N556 | E553-V555 HydrophobicContact CB-CG1 3.86Å; E553-V555 PolarHBondContact O-N 3.02Å; E553-N556 WeakPolarHBondContact O-CB 3.36Å; E553-N556 PolarHBondContact O-N 3.04Å | ||
| 554 | P | 75.8 | Confident | 84 | Confident | 4 Ų | 4 | 47.1 Ų | 47.1 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -54.6 | -29.5 | 179.4 | -28.5 | 35.4 | 0 | 0 | 0 | 113.7 | N556 L557 Y568 M722 F725 | P554-N556 PolarHBondContact O-N 3.45Å; P554-L557 WeakPolarHBondContact O-CB 3.39Å; P554-L557 PolarHBondContact O-N 2.78Å; P554-Y568 HydrophobicContact CB-CE1 4.22Å; P554-M722 HydrophobicContact CG-CE 4.02Å; P554-F725 HydrophobicContact CG-CD1 4.1Å; P554-F725 HydrophobicContact CG-CD2 4.29Å; P554-F725 HydrophobicContact CG-CE1 4.26Å; P554-F725 HydrophobicContact CG-CE2 4.45Å; P554-F725 HydrophobicContact CG-CG 4.11Å; P554-F725 HydrophobicContact CG-CZ 4.43Å |
| 555 | V | 81.7 | Confident | 83.8 | Confident | 36 Ų | 36 | 47.9 Ų | 47.9 | 22% | 0.218 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -61.6 | -30.1 | 175.9 | 69.9 | 0 | 0 | 0 | 0 | 112.9 | E553 L557 L558 A565 Y568 | E553-V555 HydrophobicContact CB-CG1 3.86Å; E553-V555 PolarHBondContact O-N 3.02Å; V555-L557 PolarHBondContact O-N 3.48Å; V555-L558 HydrophobicContact CG2-CD1 4.46Å; V555-L558 WeakPolarHBondContact O-CB 3.13Å; V555-L558 PolarHBondContact O-N 3.13Å; V555-A565 HydrophobicContact CG2-CB 4.08Å; V555-Y568 HydrophobicContact CB-CD2 4.48Å; V555-Y568 HydrophobicContact CB-CG 4.48Å |
| 556 | N | 84.7 | Confident | 83.8 | Confident | 42 Ų | 42 | 48.9 Ų | 48.9 | 23% | 0.225 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -76 | -10.4 | -179.1 | -67 | -20.7 | 0 | 0 | 0 | 113.1 | L552 E553 P554 L558 Y855 | L552-N556 HydrophobicContact CD1-CB 3.76Å; E553-N556 WeakPolarHBondContact O-CB 3.36Å; E553-N556 PolarHBondContact O-N 3.04Å; P554-N556 PolarHBondContact O-N 3.45Å; N556-L558 VanDerWaalsContact C-N 3.32Å; N556-Y855 HydrophobicContact CB-CD1 3.72Å; N556-Y855 HydrophobicContact CB-CE1 4.19Å; N556-Y855 HydrophobicContact CB-CG 4.04Å; N556-Y855 WeakPolarHBondContact O-CB 3.21Å |
| 557 | L | 81.2 | Confident | 83.9 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -79.2 | -19.5 | 171 | -70.1 | 171.3 | 0 | 0 | 0 | 112.5 | A63 Y67 L269 N276 L552 P554 V555 I789 | A63-L557 HydrophobicContact CB-CD1 4.42Å; Y67-L557 HydrophobicContact CD1-CD2 4.12Å; Y67-L557 HydrophobicContact CD2-CD1 3.72Å; Y67-L557 HydrophobicContact CD2-CD2 3.93Å; Y67-L557 HydrophobicContact CE1-CD2 3.81Å; Y67-L557 HydrophobicContact CE2-CD1 4.04Å; Y67-L557 HydrophobicContact CE2-CD2 3.65Å; Y67-L557 HydrophobicContact CE2-CG 4.5Å; Y67-L557 HydrophobicContact CG-CD1 4.23Å; Y67-L557 HydrophobicContact CG-CD2 4.17Å; L269-L557 HydrophobicContact CD1-CB 4.37Å; N276-L557 PolarHBondContact ND2-O 2.93Å; L552-L557 HydrophobicContact CD2-CD1 4.2Å; L552-L557 HydrophobicContact CD2-CD2 3.53Å; L552-L557 HydrophobicContact CD2-CG 3.77Å; L552-L557 HydrophobicContact CG-CG 4.34Å; P554-L557 WeakPolarHBondContact O-CB 3.39Å; P554-L557 PolarHBondContact O-N 2.78Å; V555-L557 PolarHBondContact O-N 3.48Å; L557-I789 HydrophobicContact CD2-CD1 4.2Å |
| 558 | L | 84.4 | Confident | 84 | Confident | 5 Ų | 5 | 40.6 Ų | 40.6 | 3% | 0.026 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -82.5 | 157.5 | -174 | -57.1 | 173.1 | 0 | 0 | 0 | 112 | L269 E272 V555 N556 A564 A565 Y568 | L269-L558 HydrophobicContact CD1-CD2 3.63Å; L269-L558 HydrophobicContact CD1-CG 4.29Å; E272-L558 HydrophobicContact CB-CD2 3.58Å; E272-L558 HydrophobicContact CG-CD2 4.29Å; V555-L558 HydrophobicContact CG2-CD1 4.46Å; V555-L558 WeakPolarHBondContact O-CB 3.13Å; V555-L558 PolarHBondContact O-N 3.13Å; N556-L558 VanDerWaalsContact C-N 3.32Å; L558-A564 HydrophobicContact CD1-CB 3.67Å; L558-A564 HydrophobicContact CD2-CB 4.12Å; L558-A565 HydrophobicContact CD1-CB 4.19Å; L558-Y568 HydrophobicContact CD1-CD2 3.78Å; L558-Y568 HydrophobicContact CD1-CE2 3.95Å |
| 559 | V | 83.3 | Confident | 84.3 | Confident | 16 Ų | 16 | 42 Ų | 42 | 10% | 0.097 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -67.7 | 143.2 | 165.1 | -176.8 | 0 | 0 | 0 | 0 | 108.5 | K275 N276 D561 S562 K853 | K275-V559 HydrophobicContact CB-CG2 4.26Å; N276-V559 VanDerWaalsContact OD1-CG2 3.23Å; N276-V559 WeakPolarHBondContact OD1-CG2 3.19Å; V559-D561 VanDerWaalsContact C-N 3.27Å; V559-D561 PolarHBondContact O-N 2.9Å; V559-S562 WeakPolarHBondContact O-CB 3.42Å; V559-S562 PolarHBondContact O-N 3.34Å; V559-K853 WeakPolarHBondContact CG1-O 3.1Å |
| 560 | E | 80.5 | Confident | 84.8 | Confident | 122 Ų | 122 | 36.2 Ų | 36.2 | 57% | 0.57 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -36.4 | -177.6 | -65.4 | 175.2 | 176.1 | 0 | 0 | 113.1 | S562 K853 | E560-S562 PolarHBondContact O-N 3.13Å; E560-K853 HydrophobicContact CB-CB 4.12Å; E560-K853 HydrophobicContact CG-CB 4.19Å; E560-K853 PolarHBondContact N-O 3.35Å; E560-K853 WeakPolarHBondContact OE2-CB 3.28Å |
| 561 | D | 83.1 | Confident | 85.4 | Confident | 118 Ų | 118 | 33.1 Ų | 33.1 | 63% | 0.631 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | 10.1 | 178.1 | -62.5 | -29.2 | 0 | 0 | 0 | 112.5 | V559 K853 | V559-D561 VanDerWaalsContact C-N 3.27Å; V559-D561 PolarHBondContact O-N 2.9Å; D561-K853 VanDerWaalsContact CG-NZ 3.32Å; D561-K853 IonicContact OD1-NZ 2.71Å; D561-K853 PolarHBondContact OD1-NZ 2.93Å; D561-K853 WeakPolarHBondContact OD2-CD 3.2Å; D561-K853 IonicContact OD2-NZ 3.99Å; D561-K853 PolarHBondContact OD2-NZ 2.64Å |
| 562 | S | 88.6 | Confident | 86.4 | Confident | 9 Ų | 9 | 35.6 Ų | 35.6 | 6% | 0.063 | 18% | 0.178 | C | C | . | . | trans | -72.4 | 134.2 | -177.9 | -173.9 | 0 | 0 | 0 | 0 | 112.3 | E272 V559 E560 A564 A565 | E272-S562 VanDerWaalsContact CG-OG 3.25Å; E272-S562 WeakPolarHBondContact CG-OG 3.32Å; E272-S562 WeakPolarHBondContact OE2-CB 2.98Å; E272-S562 PolarHBondContact OE2-OG 3.13Å; V559-S562 WeakPolarHBondContact O-CB 3.42Å; V559-S562 PolarHBondContact O-N 3.34Å; E560-S562 PolarHBondContact O-N 3.13Å; S562-A564 PolarHBondContact O-N 3.15Å; S562-A564 PolarHBondContact OG-N 3.06Å; S562-A565 WeakPolarHBondContact O-CB 3.18Å; S562-A565 PolarHBondContact O-N 3.35Å | ||
| 563 | Y | 90.5 | Very high | 87.3 | Confident | 30 Ų | 30 | 42.6 Ų | 42.6 | 12% | 0.118 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.7 | -27.5 | 172.8 | 69.6 | -94.9 | 0 | 0 | 0 | 112.3 | E248 L252 P263 H265 T268 E272 A565 K566 F567 | E248-Y563 VanDerWaalsContact CD-OH 3.26Å; E248-Y563 HydrophobicContact CG-CE1 4.17Å; E248-Y563 WeakPolarHBondContact OE1-CE1 3.26Å; E248-Y563 PolarHBondContact OE1-OH 3.19Å; L252-Y563 HydrophobicContact CD1-CD1 3.95Å; L252-Y563 HydrophobicContact CD1-CE1 4.19Å; L252-Y563 HydrophobicContact CD1-CG 4.42Å; L252-Y563 HydrophobicContact CD2-CD1 4.06Å; L252-Y563 HydrophobicContact CD2-CD2 4.21Å; L252-Y563 HydrophobicContact CD2-CG 3.7Å; P263-Y563 HydrophobicContact CG-CD2 4.14Å; P263-Y563 HydrophobicContact CG-CE2 4.47Å; P263-Y563 WeakPolarHBondContact O-CD2 3.32Å; P263-Y563 WeakPolarHBondContact O-CE2 3.39Å; H265-Y563 PolarHBondContact NE2-OH 2.96Å; T268-Y563 HydrophobicContact CG2-CE2 3.62Å; T268-Y563 WeakPolarHBondContact CG2-OH 3.27Å; T268-Y563 PolarHBondContact OG1-OH 3.17Å; E272-Y563 HydrophobicContact CG-CE1 4.31Å; E272-Y563 WeakPolarHBondContact OE1-CE1 3.36Å; Y563-A565 VanDerWaalsContact C-N 3.3Å; Y563-A565 PolarHBondContact O-N 3.36Å; Y563-K566 WeakPolarHBondContact O-CB 3.38Å; Y563-K566 PolarHBondContact O-N 3.33Å; Y563-F567 PolarHBondContact O-N 3.02Å |
| 564 | A | 90.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.9 | -29.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T268 E272 L558 S562 K566 F567 Y568 | T268-A564 HydrophobicContact CG2-CB 3.33Å; E272-A564 HydrophobicContact CG-CB 4.22Å; L558-A564 HydrophobicContact CD1-CB 3.67Å; L558-A564 HydrophobicContact CD2-CB 4.12Å; S562-A564 PolarHBondContact O-N 3.15Å; S562-A564 PolarHBondContact OG-N 3.06Å; A564-K566 VanDerWaalsContact C-N 3.28Å; A564-K566 PolarHBondContact O-N 3.27Å; A564-F567 WeakPolarHBondContact O-CB 3.35Å; A564-F567 PolarHBondContact O-N 3.26Å; A564-F567 VanDerWaalsContact O-N 3.17Å; A564-Y568 VanDerWaalsContact O-CD2 3.29Å; A564-Y568 WeakPolarHBondContact O-CD2 3.15Å; A564-Y568 PolarHBondContact O-N 3.48Å |
| 565 | A | 91 | Very high | 88.8 | Confident | 16 Ų | 16 | 40.3 Ų | 40.3 | 13% | 0.132 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62 | -41.7 | 178 | 0 | 0 | 0 | 0 | 0 | 110.8 | V555 L558 S562 Y563 F567 Y568 M569 | V555-A565 HydrophobicContact CG2-CB 4.08Å; L558-A565 HydrophobicContact CD1-CB 4.19Å; S562-A565 WeakPolarHBondContact O-CB 3.18Å; S562-A565 PolarHBondContact O-N 3.35Å; Y563-A565 VanDerWaalsContact C-N 3.3Å; Y563-A565 PolarHBondContact O-N 3.36Å; A565-F567 PolarHBondContact O-N 3.27Å; A565-Y568 PolarHBondContact O-N 2.81Å; A565-M569 VanDerWaalsContact O-CG 3.3Å; A565-M569 WeakPolarHBondContact O-CG 3.48Å; A565-M569 PolarHBondContact O-N 3.46Å |
| 566 | K | 91.8 | Very high | 89.2 | Confident | 63 Ų | 63 | 39.7 Ų | 39.7 | 27% | 0.274 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.9 | -40.8 | 174.9 | -173.4 | -174.4 | 176.4 | -164.9 | 0 | 112.4 | E260 S262 Y563 A564 Y568 M569 E570 | E260-K566 VanDerWaalsContact CD-CE 3.47Å; E260-K566 WeakPolarHBondContact OE1-CE 3.48Å; E260-K566 IonicContact OE1-NZ 3.49Å; E260-K566 PolarHBondContact OE1-NZ 2.93Å; S262-K566 WeakPolarHBondContact OG-CE 3.11Å; Y563-K566 WeakPolarHBondContact O-CB 3.38Å; Y563-K566 PolarHBondContact O-N 3.33Å; A564-K566 VanDerWaalsContact C-N 3.28Å; A564-K566 PolarHBondContact O-N 3.27Å; K566-Y568 PolarHBondContact O-N 2.97Å; K566-M569 PolarHBondContact O-N 3.18Å; K566-E570 WeakPolarHBondContact O-CG 3.3Å; K566-E570 PolarHBondContact O-N 3.45Å |
| 567 | F | 94.4 | Very high | 89.4 | Confident | 3 Ų | 3 | 39.2 Ų | 39.2 | 1% | 0.013 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.5 | -48.3 | 174.9 | -178 | -90.9 | 0 | 0 | 0 | 111.8 | Q105 I107 M224 S262 F264 Y563 A564 A565 M569 E570 L571 | Q105-F567 HydrophobicContact CB-CE2 4.01Å; Q105-F567 HydrophobicContact CB-CZ 3.86Å; Q105-F567 VanDerWaalsContact OE1-CZ 3.28Å; I107-F567 HydrophobicContact CB-CE2 4.42Å; I107-F567 HydrophobicContact CD1-CD2 3.71Å; I107-F567 HydrophobicContact CD1-CE1 4.47Å; I107-F567 HydrophobicContact CD1-CE2 3.53Å; I107-F567 HydrophobicContact CD1-CG 4.28Å; I107-F567 HydrophobicContact CD1-CZ 3.91Å; I107-F567 HydrophobicContact CG1-CD2 3.99Å; I107-F567 HydrophobicContact CG1-CE2 3.56Å; I107-F567 HydrophobicContact CG1-CZ 4.22Å; M224-F567 HydrophobicContact CE-CZ 4.36Å; M224-F567 HydrophobicContact SD-CE2 4.41Å; M224-F567 HydrophobicContact SD-CZ 4.36Å; S262-F567 WeakPolarHBondContact O-CD2 3.35Å; F264-F567 HydrophobicContact CB-CB 4.38Å; F264-F567 HydrophobicContact CB-CD1 3.64Å; F264-F567 HydrophobicContact CB-CD2 3.52Å; F264-F567 HydrophobicContact CB-CE1 3.68Å; F264-F567 HydrophobicContact CB-CE2 3.53Å; F264-F567 HydrophobicContact CB-CG 3.57Å; F264-F567 HydrophobicContact CB-CZ 3.64Å; F264-F567 HydrophobicContact CD1-CE1 4.11Å; F264-F567 HydrophobicContact CD1-CZ 4.42Å; F264-F567 AromaticContact CD2-CD1 3.69Å; F264-F567 HydrophobicContact CD2-CD1 3.69Å; F264-F567 HydrophobicContact CD2-CE1 4.09Å; F264-F567 HydrophobicContact CD2-CG 4.17Å; F264-F567 HydrophobicContact CE2-CD1 4.48Å; F264-F567 AromaticContact CG-CD1 3.72Å; F264-F567 HydrophobicContact CG-CD1 3.72Å; F264-F567 HydrophobicContact CG-CD2 4.48Å; F264-F567 AromaticContact CG-CE1 3.71Å; F264-F567 HydrophobicContact CG-CE1 3.71Å; F264-F567 HydrophobicContact CG-CE2 4.45Å; F264-F567 HydrophobicContact CG-CG 4.14Å; F264-F567 HydrophobicContact CG-CZ 4.11Å; Y563-F567 PolarHBondContact O-N 3.02Å; A564-F567 WeakPolarHBondContact O-CB 3.35Å; A564-F567 PolarHBondContact O-N 3.26Å; A564-F567 VanDerWaalsContact O-N 3.17Å; A565-F567 PolarHBondContact O-N 3.27Å; F567-M569 VanDerWaalsContact C-N 3.33Å; F567-M569 PolarHBondContact O-N 2.92Å; F567-E570 PolarHBondContact O-N 3.49Å; F567-L571 HydrophobicContact CE1-CD2 4.5Å; F567-L571 WeakPolarHBondContact O-CB 3.34Å; F567-L571 PolarHBondContact O-N 2.92Å |
| 568 | Y | 92.3 | Very high | 89.9 | Confident | 26 Ų | 26 | 40.4 Ų | 40.4 | 10% | 0.102 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.9 | -38.7 | 176.1 | -78.8 | -66.3 | 0 | 0 | 0 | 112.8 | F264 P554 V555 L558 A564 A565 K566 E570 L571 Q572 | F264-Y568 HydrophobicContact CE2-CE2 4.04Å; F264-Y568 AromaticContact CE2-CZ 4Å; P554-Y568 HydrophobicContact CB-CE1 4.22Å; V555-Y568 HydrophobicContact CB-CD2 4.48Å; V555-Y568 HydrophobicContact CB-CG 4.48Å; L558-Y568 HydrophobicContact CD1-CD2 3.78Å; L558-Y568 HydrophobicContact CD1-CE2 3.95Å; A564-Y568 VanDerWaalsContact O-CD2 3.29Å; A564-Y568 WeakPolarHBondContact O-CD2 3.15Å; A564-Y568 PolarHBondContact O-N 3.48Å; A565-Y568 PolarHBondContact O-N 2.81Å; K566-Y568 PolarHBondContact O-N 2.97Å; Y568-E570 PolarHBondContact O-N 3.11Å; Y568-L571 HydrophobicContact CD1-CD2 4.44Å; Y568-L571 WeakPolarHBondContact O-CB 3.32Å; Y568-L571 PolarHBondContact O-N 3.48Å; Y568-Q572 WeakPolarHBondContact O-CB 3.38Å; Y568-Q572 PolarHBondContact O-N 2.9Å |
| 569 | M | 91.6 | Very high | 90 | Very high | 76 Ų | 76 | 40.2 Ų | 40.2 | 37% | 0.374 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -61.6 | -43.1 | 175.5 | -71.5 | 176.1 | 71.6 | 0 | 0 | 112.1 | A565 K566 F567 L571 R573 | A565-M569 VanDerWaalsContact O-CG 3.3Å; A565-M569 WeakPolarHBondContact O-CG 3.48Å; A565-M569 PolarHBondContact O-N 3.46Å; K566-M569 PolarHBondContact O-N 3.18Å; F567-M569 VanDerWaalsContact C-N 3.33Å; F567-M569 PolarHBondContact O-N 2.92Å; M569-L571 VanDerWaalsContact C-N 3.35Å; M569-R573 WeakPolarHBondContact O-CB 3.16Å; M569-R573 WeakPolarHBondContact O-CD 2.99Å; M569-R573 WeakPolarHBondContact O-CG 3.46Å; M569-R573 PolarHBondContact O-N 3.49Å |
| 570 | E | 93.1 | Very high | 90.3 | Very high | 28 Ų | 28 | 40.3 Ų | 40.3 | 13% | 0.131 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.7 | -35.5 | 176.7 | -66.2 | -51.4 | 139.9 | 0 | 0 | 112.2 | I107 T109 K566 F567 Y568 N574 | I107-E570 HydrophobicContact CD1-CB 3.8Å; I107-E570 HydrophobicContact CG2-CB 4.02Å; I107-E570 HydrophobicContact CG2-CG 4.46Å; T109-E570 HydrophobicContact CG2-CG 4.37Å; K566-E570 WeakPolarHBondContact O-CG 3.3Å; K566-E570 PolarHBondContact O-N 3.45Å; F567-E570 PolarHBondContact O-N 3.49Å; Y568-E570 PolarHBondContact O-N 3.11Å; E570-N574 VanDerWaalsContact O-CB 3.3Å; E570-N574 WeakPolarHBondContact O-CB 3.31Å; E570-N574 PolarHBondContact O-N 2.96Å; E570-N574 PolarHBondContact O-ND2 3.01Å; E570-N574 VanDerWaalsContact O-ND2 3.16Å; E570-N574 PolarHBondContact OE2-ND2 3.2Å |
| 571 | L | 92.6 | Very high | 90.9 | Very high | 29 Ų | 29 | 35.1 Ų | 35.1 | 15% | 0.152 | 17% | 0.167 | C | C | . | . | I | π-helix | trans | -63.1 | -49.9 | 174.8 | -167.8 | 73.1 | 0 | 0 | 0 | 111.1 | I107 M224 F567 Y568 M569 R573 F575 W576 | I107-L571 HydrophobicContact CD1-CB 4.45Å; M224-L571 HydrophobicContact CE-CD1 4.01Å; F567-L571 HydrophobicContact CE1-CD2 4.5Å; F567-L571 WeakPolarHBondContact O-CB 3.34Å; F567-L571 PolarHBondContact O-N 2.92Å; Y568-L571 HydrophobicContact CD1-CD2 4.44Å; Y568-L571 WeakPolarHBondContact O-CB 3.32Å; Y568-L571 PolarHBondContact O-N 3.48Å; M569-L571 VanDerWaalsContact C-N 3.35Å; L571-R573 PolarHBondContact O-N 2.65Å; L571-F575 HydrophobicContact CD1-CB 3.9Å; L571-F575 HydrophobicContact CD1-CD2 4.21Å; L571-F575 HydrophobicContact CD1-CG 4.21Å; L571-F575 WeakPolarHBondContact O-CA 3.47Å; L571-F575 PolarHBondContact O-N 2.97Å; L571-W576 HydrophobicContact CD2-CH2 4.48Å; L571-W576 HydrophobicContact CD2-CZ2 3.44Å; L571-W576 VanDerWaalsContact CD2-CZ2 3.44Å; L571-W576 VanDerWaalsContact CD2-NE1 3.32Å; L571-W576 HydrophobicContact CG-CD2 4.46Å; L571-W576 HydrophobicContact CG-CZ2 4.12Å; L571-W576 VanDerWaalsContact CG-NE1 3.27Å; L571-W576 PolarHBondContact O-N 3.45Å |
| 572 | Q | 91.4 | Very high | 91.4 | Very high | 57 Ų | 57 | 29.5 Ų | 29.5 | 27% | 0.266 | 14% | 0.137 | S | C | . | . | I | π-helix | trans | -61.4 | -44 | 177.9 | -175.3 | 178.3 | 21.2 | 0 | 0 | 112.2 | Y568 W576 M692 | Y568-Q572 WeakPolarHBondContact O-CB 3.38Å; Y568-Q572 PolarHBondContact O-N 2.9Å; Q572-W576 HydrophobicContact CB-CD2 4.38Å; Q572-W576 HydrophobicContact CB-CE3 3.73Å; Q572-W576 HydrophobicContact CB-CZ3 4.05Å; Q572-W576 HydrophobicContact CG-CE3 3.83Å; Q572-W576 HydrophobicContact CG-CZ3 4.22Å; Q572-M692 HydrophobicContact CG-CB 4.46Å; Q572-M692 PolarHBondContact NE2-O 2.97Å |
| 573 | R | 90.6 | Very high | 91.7 | Very high | 149 Ų | 149 | 29.5 Ų | 29.5 | 56% | 0.562 | 14% | 0.136 | S | C | * | . | I | π-helix | trans | -72.8 | -42.7 | -177.2 | -72.9 | 171.8 | 176.7 | 177.7 | -1.7 | 113.1 | M569 L571 | M569-R573 WeakPolarHBondContact O-CB 3.16Å; M569-R573 WeakPolarHBondContact O-CD 2.99Å; M569-R573 WeakPolarHBondContact O-CG 3.46Å; M569-R573 PolarHBondContact O-N 3.49Å; L571-R573 PolarHBondContact O-N 2.65Å |
| 574 | N | 93 | Very high | 92 | Very high | 11 Ų | 11 | 28 Ų | 28 | 6% | 0.059 | 13% | 0.13 | C | C | . | . | I | π-helix | trans | -106.7 | -34.6 | -166.3 | -57.2 | -52.7 | 0 | 0 | 0 | 113.8 | G199 G200 A222 E570 | G199-N574 CarbonylContact C-O 3.57Å; G199-N574 VanDerWaalsContact CA-O 3.27Å; G199-N574 WeakPolarHBondContact CA-O 3.47Å; G200-N574 PolarHBondContact N-O 3.44Å; A222-N574 HydrophobicContact CB-CB 3.75Å; E570-N574 VanDerWaalsContact O-CB 3.3Å; E570-N574 WeakPolarHBondContact O-CB 3.31Å; E570-N574 PolarHBondContact O-N 2.96Å; E570-N574 PolarHBondContact O-ND2 3.01Å; E570-N574 VanDerWaalsContact O-ND2 3.16Å; E570-N574 PolarHBondContact OE2-ND2 3.2Å |
| 575 | F | 93.3 | Very high | 92.3 | Very high | 10 Ų | 10 | 28 Ų | 28 | 4% | 0.044 | 13% | 0.13 | C | C | . | . | I | π-helix | trans | -104.8 | -31.4 | -172.6 | -67.4 | -87.6 | 0 | 0 | 0 | 113.3 | I107 A222 M224 L571 S577 | I107-F575 HydrophobicContact CD1-CD2 4.41Å; I107-F575 HydrophobicContact CD1-CE2 4.13Å; I107-F575 HydrophobicContact CG1-CE2 4.11Å; I107-F575 HydrophobicContact CG2-CE2 4.24Å; A222-F575 HydrophobicContact CB-CE2 3.66Å; A222-F575 HydrophobicContact CB-CZ 3.97Å; M224-F575 HydrophobicContact CB-CE1 3.8Å; M224-F575 HydrophobicContact CB-CZ 3.67Å; M224-F575 HydrophobicContact CE-CD1 4.34Å; M224-F575 HydrophobicContact CE-CD2 3.96Å; M224-F575 HydrophobicContact CE-CE1 4.09Å; M224-F575 HydrophobicContact CE-CE2 3.68Å; M224-F575 HydrophobicContact CE-CG 4.28Å; M224-F575 HydrophobicContact CE-CZ 3.77Å; L571-F575 HydrophobicContact CD1-CB 3.9Å; L571-F575 HydrophobicContact CD1-CD2 4.21Å; L571-F575 HydrophobicContact CD1-CG 4.21Å; L571-F575 WeakPolarHBondContact O-CA 3.47Å; L571-F575 PolarHBondContact O-N 2.97Å; F575-S577 VanDerWaalsContact C-N 3.33Å |
| 576 | W | 92.1 | Very high | 92.5 | Very high | 22 Ų | 22 | 27.3 Ų | 27.3 | 8% | 0.083 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -80.6 | -12.1 | 179.8 | -67 | 2.5 | 0 | 0 | 0 | 113.7 | L571 Q572 M580 F691 M692 M722 | L571-W576 HydrophobicContact CD2-CH2 4.48Å; L571-W576 HydrophobicContact CD2-CZ2 3.44Å; L571-W576 VanDerWaalsContact CD2-CZ2 3.44Å; L571-W576 VanDerWaalsContact CD2-NE1 3.32Å; L571-W576 HydrophobicContact CG-CD2 4.46Å; L571-W576 HydrophobicContact CG-CZ2 4.12Å; L571-W576 VanDerWaalsContact CG-NE1 3.27Å; L571-W576 PolarHBondContact O-N 3.45Å; Q572-W576 HydrophobicContact CB-CD2 4.38Å; Q572-W576 HydrophobicContact CB-CE3 3.73Å; Q572-W576 HydrophobicContact CB-CZ3 4.05Å; Q572-W576 HydrophobicContact CG-CE3 3.83Å; Q572-W576 HydrophobicContact CG-CZ3 4.22Å; W576-M580 HydrophobicContact CB-CE 4.35Å; W576-M580 HydrophobicContact CD2-CE 4.24Å; W576-M580 HydrophobicContact CG-CE 3.62Å; W576-F691 HydrophobicContact CG-CD1 4.46Å; W576-F691 CarbonylContact O-C 3.59Å; W576-F691 WeakPolarHBondContact O-CA 3.37Å; W576-F691 WeakPolarHBondContact O-CB 2.97Å; W576-F691 PolarHBondContact O-N 3Å; W576-M692 HydrophobicContact CB-CG 4.18Å; W576-M722 HydrophobicContact CH2-CE 3.92Å; W576-M722 HydrophobicContact CH2-SD 4.35Å; W576-M722 HydrophobicContact CZ2-CE 4.19Å; W576-M722 HydrophobicContact CZ2-CG 4.43Å; W576-M722 HydrophobicContact CZ2-SD 4.05Å |
| 577 | S | 88.5 | Confident | 92.6 | Very high | 32 Ų | 32 | 25.4 Ų | 25.4 | 22% | 0.224 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -73.8 | -40.5 | 178.3 | 56.9 | 0 | 0 | 0 | 0 | 112.9 | F575 D690 | F575-S577 VanDerWaalsContact C-N 3.33Å; S577-D690 PolarHBondContact O-N 3.3Å |
| 578 | Y | 90.1 | Very high | 92.6 | Very high | 27 Ų | 27 | 29.7 Ų | 29.7 | 11% | 0.106 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.8 | 126.7 | -179.3 | -166.6 | -78 | 0 | 0 | 0 | 111.5 | F182 P183 R213 I615 K689 | F182-Y578 HydrophobicContact CD1-CD1 4.44Å; F182-Y578 HydrophobicContact CD1-CE1 4.38Å; F182-Y578 AromaticContact CE1-CD1 3.56Å; F182-Y578 HydrophobicContact CE1-CD1 3.56Å; F182-Y578 AromaticContact CE1-CE1 3.89Å; F182-Y578 HydrophobicContact CE1-CE1 3.89Å; F182-Y578 HydrophobicContact CZ-CD1 4.34Å; P183-Y578 HydrophobicContact CB-CE1 4.49Å; P183-Y578 HydrophobicContact CG-CE1 4.48Å; R213-Y578 HydrophobicContact CB-CE2 4.43Å; R213-Y578 WeakPolarHBondContact CB-OH 3.5Å; Y578-I615 HydrophobicContact CD1-CD1 3.62Å; Y578-I615 HydrophobicContact CD1-CG1 4.37Å; Y578-I615 HydrophobicContact CD2-CD1 4.29Å; Y578-I615 HydrophobicContact CD2-CG1 4.26Å; Y578-I615 HydrophobicContact CE1-CD1 3.51Å; Y578-I615 HydrophobicContact CE1-CG1 4.01Å; Y578-I615 HydrophobicContact CE1-CG2 3.98Å; Y578-I615 HydrophobicContact CE2-CD1 4.16Å; Y578-I615 HydrophobicContact CE2-CG1 3.85Å; Y578-I615 HydrophobicContact CE2-CG2 4.34Å; Y578-I615 HydrophobicContact CG-CD1 4.07Å; Y578-I615 WeakPolarHBondContact OH-CG2 3.48Å; Y578-K689 HydrophobicContact CD2-CB 3.64Å; Y578-K689 HydrophobicContact CE2-CB 4.2Å; Y578-K689 HydrophobicContact CG-CB 4.32Å |
| 579 | G | 87.2 | Confident | 92.6 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 104.5 | 6.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y193 G195 P581 V688 | Y193-G579 WeakPolarHBondContact CE1-O 3.37Å; Y193-G579 WeakPolarHBondContact OH-CA 3.18Å; Y193-G579 PolarHBondContact OH-O 2.88Å; G195-G579 CarbonylContact C-O 3.35Å; G579-P581 WeakPolarHBondContact O-CD 3.3Å; G579-V688 PolarHBondContact N-O 3.05Å |
| 580 | M | 90.7 | Very high | 92.4 | Very high | 19 Ų | 19 | 26.1 Ų | 26.1 | 9% | 0.094 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 126.7 | 170.5 | 177.2 | -176 | -65.8 | 0 | 0 | 109.3 | W576 G687 V688 F691 | W576-M580 HydrophobicContact CB-CE 4.35Å; W576-M580 HydrophobicContact CD2-CE 4.24Å; W576-M580 HydrophobicContact CG-CE 3.62Å; M580-G687 CarbonylContact O-C 3.56Å; M580-G687 WeakPolarHBondContact O-CA 3.24Å; M580-V688 HydrophobicContact CB-CG2 4Å; M580-V688 HydrophobicContact CG-CG2 4.41Å; M580-V688 PolarHBondContact N-O 3.44Å; M580-V688 VanDerWaalsContact O-CG2 3.29Å; M580-V688 WeakPolarHBondContact O-CG2 3.38Å; M580-V688 PolarHBondContact O-N 3.48Å; M580-F691 HydrophobicContact CE-CD1 3.28Å; M580-F691 HydrophobicContact CE-CE1 3.66Å; M580-F691 HydrophobicContact CE-CG 4.19Å; M580-F691 HydrophobicContact SD-CD1 3.35Å; M580-F691 WeakPolarHBondContact SD-CD1 3.42Å; M580-F691 HydrophobicContact SD-CE1 3.44Å; M580-F691 WeakPolarHBondContact SD-CE1 3.26Å; M580-F691 HydrophobicContact SD-CG 3.92Å; M580-F691 HydrophobicContact SD-CZ 4.09Å |
| 581 | P | 92.4 | Very high | 92.2 | Very high | 12 Ų | 12 | 26.4 Ų | 26.4 | 8% | 0.078 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 140.5 | 176 | 34.4 | -31.8 | 0 | 0 | 0 | 112.3 | Y193 Q196 G579 M685 V686 | Y193-P581 HydrophobicContact CE1-CB 4.24Å; Y193-P581 HydrophobicContact CE1-CG 4.32Å; Q196-P581 VanDerWaalsContact CD-CG 3.46Å; Q196-P581 HydrophobicContact CG-CG 3.53Å; G579-P581 WeakPolarHBondContact O-CD 3.3Å; P581-M685 HydrophobicContact CB-CB 4.21Å; P581-M685 HydrophobicContact CB-CE 3.65Å; P581-M685 HydrophobicContact CB-CG 4.39Å; P581-M685 HydrophobicContact CB-SD 3.93Å; P581-M685 HydrophobicContact CG-CE 3.73Å; P581-V686 CarbonylContact C-O 3.58Å; P581-V686 WeakPolarHBondContact CA-O 3.38Å |
| 582 | I | 94.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 134.8 | 171.4 | -60.7 | -176.4 | 0 | 0 | 0 | 108.7 | M685 V686 V688 T700 F704 N720 W723 | I582-M685 VanDerWaalsContact C-SD 3.57Å; I582-M685 WeakPolarHBondContact O-CA 3.34Å; I582-V686 PolarHBondContact N-O 3.08Å; I582-V686 PolarHBondContact O-N 3.44Å; I582-V688 HydrophobicContact CD1-CB 4.43Å; I582-V688 HydrophobicContact CD1-CG1 3.62Å; I582-V688 HydrophobicContact CD1-CG2 3.96Å; I582-V688 HydrophobicContact CG1-CG1 4.07Å; I582-V688 HydrophobicContact CG1-CG2 4.12Å; I582-T700 HydrophobicContact CD1-CG2 3.64Å; I582-F704 HydrophobicContact CB-CE1 3.93Å; I582-F704 HydrophobicContact CB-CZ 4.47Å; I582-F704 HydrophobicContact CD1-CD1 4.4Å; I582-F704 HydrophobicContact CD1-CE1 4.04Å; I582-F704 HydrophobicContact CD1-CE2 4.33Å; I582-F704 HydrophobicContact CD1-CZ 4Å; I582-F704 HydrophobicContact CG2-CD1 3.88Å; I582-F704 HydrophobicContact CG2-CE1 3.75Å; I582-N720 HydrophobicContact CG1-CB 4.41Å; I582-W723 HydrophobicContact CD1-CH2 4.26Å |
| 583 | Q | 94.6 | Very high | 92.1 | Very high | 9 Ų | 9 | 23.3 Ų | 23.3 | 4% | 0.042 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 131.7 | 176.4 | -72.9 | -172.9 | 57.3 | 0 | 0 | 110.1 | F81 R96 Q97 L684 M685 T718 Y719 | F81-Q583 HydrophobicContact CE1-CB 3.69Å; F81-Q583 HydrophobicContact CZ-CB 3.67Å; R96-Q583 PolarHBondContact O-NE2 3.16Å; Q97-Q583 PolarHBondContact O-NE2 2.95Å; Q583-L684 WeakPolarHBondContact CA-O 3.33Å; Q583-M685 HydrophobicContact CB-SD 4.03Å; Q583-M685 HydrophobicContact CG-CE 3.62Å; Q583-M685 HydrophobicContact CG-SD 3.16Å; Q583-M685 WeakPolarHBondContact CG-SD 3.45Å; Q583-T718 CarbonylContact O-C 3.48Å; Q583-T718 WeakPolarHBondContact O-CA 3.27Å; Q583-Y719 PolarHBondContact N-O 3.37Å; Q583-Y719 PolarHBondContact O-N 2.88Å |
| 584 | V | 96.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 118 | 173.7 | -175.8 | 0 | 0 | 0 | 0 | 108.3 | F586 F608 R683 L684 V686 F704 I716 T718 | V584-F586 HydrophobicContact CG1-CD2 4.27Å; V584-F586 HydrophobicContact CG1-CE2 3.7Å; V584-F608 HydrophobicContact CG1-CD2 4.23Å; V584-F608 HydrophobicContact CG1-CE2 3.91Å; V584-F608 HydrophobicContact CG1-CZ 4.1Å; V584-F608 HydrophobicContact CG2-CD1 4.49Å; V584-R683 CarbonylContact O-C 3.58Å; V584-R683 VanDerWaalsContact O-CA 3.23Å; V584-R683 WeakPolarHBondContact O-CA 3.23Å; V584-L684 HydrophobicContact CB-CD2 4.43Å; V584-L684 HydrophobicContact CB-CG 4.12Å; V584-L684 PolarHBondContact N-O 3.1Å; V584-L684 PolarHBondContact O-N 3.23Å; V584-V686 HydrophobicContact CG2-CG2 3.75Å; V584-F704 HydrophobicContact CG2-CD1 4.28Å; V584-F704 HydrophobicContact CG2-CE1 4.09Å; V584-I716 HydrophobicContact CG1-CG2 3.5Å; V584-T718 HydrophobicContact CG1-CG2 4.18Å; V584-T718 HydrophobicContact CG2-CG2 4.09Å |
| 585 | A | 95.8 | Very high | 92 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 130.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | F81 W85 F682 I716 T717 | F81-A585 HydrophobicContact CD1-CB 4.4Å; F81-A585 HydrophobicContact CE1-CB 3.66Å; F81-A585 HydrophobicContact CE2-CB 3.99Å; F81-A585 HydrophobicContact CZ-CB 3.43Å; F81-A585 VanDerWaalsContact CZ-CB 3.43Å; W85-A585 HydrophobicContact CH2-CB 3.68Å; W85-A585 HydrophobicContact CZ3-CB 3.61Å; A585-F682 CarbonylContact C-O 3.58Å; A585-F682 WeakPolarHBondContact CA-O 3.23Å; A585-I716 CarbonylContact O-C 3.54Å; A585-I716 VanDerWaalsContact O-CA 3.29Å; A585-I716 WeakPolarHBondContact O-CA 3.32Å; A585-T717 PolarHBondContact N-O 3.49Å; A585-T717 PolarHBondContact O-N 3.03Å |
| 586 | F | 96.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 99.1 | 170.9 | -73.3 | -112.8 | 0 | 0 | 0 | 106.6 | V584 N588 P589 I601 A604 V605 A681 F682 L684 L714 I716 | V584-F586 HydrophobicContact CG1-CD2 4.27Å; V584-F586 HydrophobicContact CG1-CE2 3.7Å; F586-N588 VanDerWaalsContact C-N 3.33Å; F586-P589 HydrophobicContact CB-CB 4.33Å; F586-I601 HydrophobicContact CE1-CG2 4.34Å; F586-A604 HydrophobicContact CE1-CB 4.06Å; F586-A604 HydrophobicContact CZ-CB 4.14Å; F586-V605 HydrophobicContact CE2-CG2 4.18Å; F586-V605 HydrophobicContact CZ-CG2 3.81Å; F586-A681 WeakPolarHBondContact O-CA 3.37Å; F586-A681 WeakPolarHBondContact O-CB 3.17Å; F586-F682 HydrophobicContact CB-CD1 4.22Å; F586-F682 HydrophobicContact CB-CD2 4.17Å; F586-F682 HydrophobicContact CB-CE1 3.85Å; F586-F682 HydrophobicContact CB-CE2 3.74Å; F586-F682 HydrophobicContact CB-CG 4.37Å; F586-F682 HydrophobicContact CB-CZ 3.56Å; F586-F682 HydrophobicContact CD1-CE2 4.28Å; F586-F682 AromaticContact CD1-CZ 3.81Å; F586-F682 HydrophobicContact CD1-CZ 3.81Å; F586-F682 HydrophobicContact CD2-CD2 4.17Å; F586-F682 AromaticContact CD2-CE2 3.39Å; F586-F682 HydrophobicContact CD2-CE2 3.39Å; F586-F682 AromaticContact CD2-CZ 3.79Å; F586-F682 HydrophobicContact CD2-CZ 3.79Å; F586-F682 HydrophobicContact CE1-CZ 4.47Å; F586-F682 HydrophobicContact CE2-CE2 4.1Å; F586-F682 HydrophobicContact CE2-CZ 4.5Å; F586-F682 HydrophobicContact CG-CD2 4.36Å; F586-F682 HydrophobicContact CG-CE1 4.2Å; F586-F682 AromaticContact CG-CE2 3.53Å; F586-F682 HydrophobicContact CG-CE2 3.53Å; F586-F682 AromaticContact CG-CZ 3.42Å; F586-F682 HydrophobicContact CG-CZ 3.42Å; F586-F682 VanDerWaalsContact CG-CZ 3.42Å; F586-F682 PolarHBondContact N-O 3.33Å; F586-F682 PolarHBondContact O-N 2.9Å; F586-F682 VanDerWaalsContact O-N 3.12Å; F586-L684 HydrophobicContact CD2-CD2 3.84Å; F586-L684 HydrophobicContact CE2-CD2 3.37Å; F586-L684 HydrophobicContact CZ-CD2 4.3Å; F586-L714 HydrophobicContact CD1-CB 4.16Å; F586-L714 HydrophobicContact CD1-CD1 4.02Å; F586-L714 HydrophobicContact CE1-CD1 3.78Å; F586-I716 HydrophobicContact CD1-CD1 4.17Å; F586-I716 HydrophobicContact CD1-CG1 4.06Å; F586-I716 HydrophobicContact CE1-CD1 3.6Å; F586-I716 HydrophobicContact CE1-CG1 4.01Å; F586-I716 HydrophobicContact CE2-CG2 4.5Å; F586-I716 HydrophobicContact CG-CG1 4.47Å; F586-I716 HydrophobicContact CZ-CD1 3.8Å; F586-I716 HydrophobicContact CZ-CG1 4.34Å |
| 587 | N | 94.1 | Very high | 91.9 | Very high | 23 Ų | 23 | 28.5 Ų | 28.5 | 12% | 0.123 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -82 | -14.5 | -173.5 | -59.8 | -60.9 | 0 | 0 | 0 | 113.2 | T680 L714 N715 T717 | N587-T680 VanDerWaalsContact O-O 3.07Å; N587-L714 PolarHBondContact N-O 2.77Å; N587-N715 HydrophobicContact CB-CB 4.22Å; N587-N715 WeakPolarHBondContact CB-O 3.3Å; N587-N715 PolarHBondContact N-O 3.04Å; N587-N715 PolarHBondContact ND2-O 3.16Å; N587-T717 PolarHBondContact ND2-OG1 3.22Å |
| 588 | N | 93.6 | Very high | 92.2 | Very high | 93 Ų | 93 | 27.9 Ų | 27.9 | 50% | 0.497 | 16% | 0.156 | S | C | . | . | trans | -142.4 | 70.5 | 175.2 | -176.8 | 42.1 | 0 | 0 | 0 | 110.5 | F586 G590 D713 L714 N715 | F586-N588 VanDerWaalsContact C-N 3.33Å; N588-G590 PolarHBondContact O-N 2.94Å; N588-D713 PolarHBondContact ND2-O 3.07Å; N588-L714 PolarHBondContact N-O 3.39Å; N588-L714 VanDerWaalsContact N-O 3.1Å; N588-L714 WeakPolarHBondContact O-CA 3.29Å; N588-N715 HydrophobicContact CB-CB 4.15Å | ||
| 589 | P | 91.9 | Very high | 92.4 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.013 | 18% | 0.182 | C | C | . | . | trans | -73.5 | -8.5 | -175.1 | 31.2 | -33.6 | 0 | 0 | 0 | 113.8 | F586 V592 T597 I601 I679 T680 F682 | F586-P589 HydrophobicContact CB-CB 4.33Å; P589-V592 HydrophobicContact CB-CG1 4.31Å; P589-T597 WeakPolarHBondContact O-CG2 3.33Å; P589-I601 HydrophobicContact CB-CD1 4.16Å; P589-I679 HydrophobicContact CG-CG2 4.15Å; P589-T680 WeakPolarHBondContact CD-O 3.43Å; P589-F682 HydrophobicContact CB-CD1 3.77Å; P589-F682 HydrophobicContact CB-CE1 3.31Å; P589-F682 HydrophobicContact CB-CZ 4.31Å; P589-F682 HydrophobicContact CG-CD1 3.91Å; P589-F682 HydrophobicContact CG-CE1 4Å | ||
| 590 | G | 88.8 | Confident | 92.7 | Very high | 25 Ų | 25 | 38.2 Ų | 38.2 | 26% | 0.258 | 20% | 0.199 | S | C | . | . | trans | 69.3 | -153.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | N588 V592 Q678 | N588-G590 PolarHBondContact O-N 2.94Å; G590-V592 PolarHBondContact O-N 3.44Å; G590-Q678 PolarHBondContact O-NE2 3.2Å | ||
| 591 | D | 88.8 | Confident | 93 | Very high | 34 Ų | 34 | 37.3 Ų | 37.3 | 18% | 0.182 | 20% | 0.195 | C | C | . | . | trans | -87.6 | 100.4 | 178.1 | -171.9 | -7.2 | 0 | 0 | 0 | 110.5 | S593 N594 T597 R644 Y648 | D591-S593 PolarHBondContact O-N 3.48Å; D591-S593 VanDerWaalsContact OD1-CB 3.31Å; D591-S593 WeakPolarHBondContact OD1-CB 3.43Å; D591-S593 PolarHBondContact OD1-N 3.14Å; D591-S593 PolarHBondContact OD1-OG 3.26Å; D591-S593 PolarHBondContact OD2-OG 3.24Å; D591-N594 WeakPolarHBondContact O-CB 3.14Å; D591-N594 PolarHBondContact O-N 3.25Å; D591-N594 VanDerWaalsContact O-N 3.12Å; D591-T597 WeakPolarHBondContact O-CB 3.34Å; D591-T597 WeakPolarHBondContact O-CG2 3.48Å; D591-T597 PolarHBondContact O-OG1 2.81Å; D591-R644 IonicContact OD2-CZ 3.02Å; D591-R644 IonicContact OD2-NE 2.7Å; D591-R644 IonicContact OD2-NH1 2.73Å; D591-R644 PolarHBondContact OD2-NH1 3.05Å; D591-Y648 PolarHBondContact OD1-OH 2.99Å | ||
| 592 | V | 91.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -14.8 | 177.9 | -64.8 | 0 | 0 | 0 | 0 | 113.8 | P589 G590 N594 R598 I601 W623 F647 Y648 I679 F682 | P589-V592 HydrophobicContact CB-CG1 4.31Å; G590-V592 PolarHBondContact O-N 3.44Å; V592-N594 PolarHBondContact O-N 3.41Å; V592-R598 WeakPolarHBondContact O-CD 3.49Å; V592-R598 WeakPolarHBondContact O-CG 3.28Å; V592-R598 PolarHBondContact O-NH1 2.87Å; V592-I601 HydrophobicContact CG1-CD1 3.87Å; V592-W623 HydrophobicContact CG2-CH2 4.44Å; V592-F647 HydrophobicContact CB-CZ 4.49Å; V592-F647 HydrophobicContact CG2-CE1 3.69Å; V592-F647 HydrophobicContact CG2-CZ 4.06Å; V592-Y648 HydrophobicContact CG2-CE1 4.11Å; V592-I679 HydrophobicContact CG2-CD1 3.83Å; V592-I679 HydrophobicContact CG2-CG1 4.36Å; V592-F682 HydrophobicContact CG1-CE1 4.43Å |
| 593 | S | 88.8 | Confident | 93.2 | Very high | 22 Ų | 22 | 41.7 Ų | 41.7 | 15% | 0.154 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -12.9 | 173.8 | 75.2 | 0 | 0 | 0 | 0 | 112.5 | D591 R598 R644 | D591-S593 PolarHBondContact O-N 3.48Å; D591-S593 VanDerWaalsContact OD1-CB 3.31Å; D591-S593 WeakPolarHBondContact OD1-CB 3.43Å; D591-S593 PolarHBondContact OD1-N 3.14Å; D591-S593 PolarHBondContact OD1-OG 3.26Å; D591-S593 PolarHBondContact OD2-OG 3.24Å; S593-R598 PolarHBondContact O-NH1 3.09Å; S593-R644 WeakPolarHBondContact OG-CG 3.39Å |
| 594 | N | 90.7 | Very high | 93.2 | Very high | 68 Ų | 68 | 41.2 Ų | 41.2 | 36% | 0.364 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -86.1 | 129.4 | 174.3 | -176.7 | -23.3 | 0 | 0 | 0 | 111.3 | D591 V592 Q596 T597 R598 | D591-N594 WeakPolarHBondContact O-CB 3.14Å; D591-N594 PolarHBondContact O-N 3.25Å; D591-N594 VanDerWaalsContact O-N 3.12Å; V592-N594 PolarHBondContact O-N 3.41Å; N594-Q596 VanDerWaalsContact C-N 3.31Å; N594-Q596 PolarHBondContact O-N 2.94Å; N594-Q596 PolarHBondContact OD1-N 3.41Å; N594-T597 PolarHBondContact O-N 2.8Å; N594-R598 PolarHBondContact O-N 2.98Å |
| 595 | A | 91.4 | Very high | 93.3 | Very high | 46 Ų | 46 | 41.3 Ų | 41.3 | 38% | 0.38 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -56.8 | -38.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | R598 F599 | A595-R598 PolarHBondContact O-N 3.31Å; A595-F599 WeakPolarHBondContact O-CB 3.15Å; A595-F599 PolarHBondContact O-N 2.94Å |
| 596 | Q | 91.5 | Very high | 93.3 | Very high | 158 Ų | 158 | 46 Ų | 46 | 74% | 0.738 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -66.8 | -43 | 178.7 | -67.2 | -179.1 | -9 | 0 | 0 | 111.6 | N594 F599 R600 | N594-Q596 VanDerWaalsContact C-N 3.31Å; N594-Q596 PolarHBondContact O-N 2.94Å; N594-Q596 PolarHBondContact OD1-N 3.41Å; Q596-F599 PolarHBondContact O-N 2.91Å; Q596-R600 PolarHBondContact O-N 3.47Å |
| 597 | T | 92.1 | Very high | 93.2 | Very high | 28 Ų | 28 | 47.4 Ų | 47.4 | 17% | 0.172 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.9 | -45 | 175.3 | -48.3 | 0 | 0 | 0 | 0 | 110.7 | P589 D591 N594 F599 R600 I601 | P589-T597 WeakPolarHBondContact O-CG2 3.33Å; D591-T597 WeakPolarHBondContact O-CB 3.34Å; D591-T597 WeakPolarHBondContact O-CG2 3.48Å; D591-T597 PolarHBondContact O-OG1 2.81Å; N594-T597 PolarHBondContact O-N 2.8Å; T597-F599 PolarHBondContact O-N 2.83Å; T597-R600 PolarHBondContact O-N 3.35Å; T597-I601 HydrophobicContact CG2-CD1 3.99Å; T597-I601 WeakPolarHBondContact O-CG1 3.49Å; T597-I601 PolarHBondContact O-N 3.39Å |
| 598 | R | 94.1 | Very high | 93.4 | Very high | 20 Ų | 20 | 46.3 Ų | 46.3 | 8% | 0.075 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.3 | -46.7 | 175.7 | -72.6 | -166.4 | -65.3 | -86.2 | 4.2 | 112.1 | V592 S593 N594 A595 R600 I601 I602 L624 I639 D640 | V592-R598 WeakPolarHBondContact O-CD 3.49Å; V592-R598 WeakPolarHBondContact O-CG 3.28Å; V592-R598 PolarHBondContact O-NH1 2.87Å; S593-R598 PolarHBondContact O-NH1 3.09Å; N594-R598 PolarHBondContact O-N 2.98Å; A595-R598 PolarHBondContact O-N 3.31Å; R598-R600 VanDerWaalsContact C-N 3.28Å; R598-R600 PolarHBondContact O-N 2.92Å; R598-I601 PolarHBondContact O-N 3.27Å; R598-I602 WeakPolarHBondContact O-CB 3.49Å; R598-I602 VanDerWaalsContact O-CG1 3.28Å; R598-I602 WeakPolarHBondContact O-CG1 3.44Å; R598-I602 PolarHBondContact O-N 3.5Å; R598-L624 HydrophobicContact CG-CD2 4.33Å; R598-I639 VanDerWaalsContact NE-CG2 3.29Å; R598-D640 IonicContact CZ-OD1 3.75Å; R598-D640 IonicContact NH2-OD1 3.29Å; R598-D640 PolarHBondContact NH2-OD1 3.4Å |
| 599 | F | 94.1 | Very high | 93.4 | Very high | 150 Ų | 150 | 41.9 Ų | 41.9 | 66% | 0.658 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -57.4 | -45 | 177.8 | -179 | -93.9 | 0 | 0 | 0 | 111 | A595 Q596 T597 I602 D603 | A595-F599 WeakPolarHBondContact O-CB 3.15Å; A595-F599 PolarHBondContact O-N 2.94Å; Q596-F599 PolarHBondContact O-N 2.91Å; T597-F599 PolarHBondContact O-N 2.83Å; F599-I602 PolarHBondContact O-N 2.87Å; F599-D603 VanDerWaalsContact O-CB 3.28Å; F599-D603 WeakPolarHBondContact O-CB 3.35Å; F599-D603 PolarHBondContact O-N 3.18Å |
| 600 | R | 94.8 | Very high | 93.6 | Very high | 93 Ų | 93 | 48.2 Ų | 48.2 | 35% | 0.351 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.4 | -41.3 | 177.5 | -169.4 | 65 | 170.6 | 160.7 | 5.4 | 112.8 | Q596 T597 R598 D603 A604 Y711 L714 | Q596-R600 PolarHBondContact O-N 3.47Å; T597-R600 PolarHBondContact O-N 3.35Å; R598-R600 VanDerWaalsContact C-N 3.28Å; R598-R600 PolarHBondContact O-N 2.92Å; R600-D603 IonicContact NH1-OD2 3.9Å; R600-A604 PolarHBondContact O-N 3.11Å; R600-A604 VanDerWaalsContact O-N 3.08Å; R600-Y711 HydrophobicContact CG-CD1 4.47Å; R600-Y711 VanDerWaalsContact CZ-CE1 3.42Å; R600-L714 HydrophobicContact CG-CD1 4.33Å |
| 601 | I | 96 | Very high | 93.8 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64 | -47.9 | 175.3 | -71.1 | 165.9 | 0 | 0 | 0 | 110.6 | F586 P589 V592 T597 R598 D603 A604 V605 F622 L624 F682 L714 | F586-I601 HydrophobicContact CE1-CG2 4.34Å; P589-I601 HydrophobicContact CB-CD1 4.16Å; V592-I601 HydrophobicContact CG1-CD1 3.87Å; T597-I601 HydrophobicContact CG2-CD1 3.99Å; T597-I601 WeakPolarHBondContact O-CG1 3.49Å; T597-I601 PolarHBondContact O-N 3.39Å; R598-I601 PolarHBondContact O-N 3.27Å; I601-D603 VanDerWaalsContact C-N 3.31Å; I601-D603 PolarHBondContact O-N 3.31Å; I601-A604 PolarHBondContact O-N 3.38Å; I601-V605 HydrophobicContact CG2-CG2 4.25Å; I601-V605 VanDerWaalsContact O-CG2 3.28Å; I601-V605 WeakPolarHBondContact O-CG2 3.36Å; I601-V605 PolarHBondContact O-N 3.43Å; I601-F622 HydrophobicContact CG2-CE1 4.14Å; I601-F622 HydrophobicContact CG2-CZ 3.76Å; I601-L624 HydrophobicContact CG2-CD2 4.46Å; I601-F682 HydrophobicContact CD1-CE1 4.09Å; I601-F682 HydrophobicContact CD1-CZ 4.26Å; I601-F682 HydrophobicContact CG2-CZ 3.74Å; I601-L714 HydrophobicContact CG1-CD1 4.48Å; I601-L714 HydrophobicContact CG1-CD2 4.47Å |
| 602 | I | 95.5 | Very high | 94 | Very high | 42 Ų | 42 | 50 Ų | 50 | 22% | 0.215 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.4 | -39.8 | -179.2 | -69.3 | 167.6 | 0 | 0 | 0 | 110.7 | R598 F599 V605 K606 L624 L625 | R598-I602 WeakPolarHBondContact O-CB 3.49Å; R598-I602 VanDerWaalsContact O-CG1 3.28Å; R598-I602 WeakPolarHBondContact O-CG1 3.44Å; R598-I602 PolarHBondContact O-N 3.5Å; F599-I602 PolarHBondContact O-N 2.87Å; I602-V605 PolarHBondContact O-N 3.01Å; I602-K606 HydrophobicContact CG2-CD 4.14Å; I602-K606 HydrophobicContact CG2-CG 4.4Å; I602-K606 WeakPolarHBondContact O-CB 3.34Å; I602-K606 VanDerWaalsContact O-CG 3.32Å; I602-K606 WeakPolarHBondContact O-CG 3.03Å; I602-K606 PolarHBondContact O-N 2.89Å; I602-L624 HydrophobicContact CG1-CD2 4.49Å; I602-L625 HydrophobicContact CG1-CD2 4.48Å |
| 603 | D | 95.7 | Very high | 94.1 | Very high | 62 Ų | 62 | 50.7 Ų | 50.7 | 33% | 0.332 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -58.3 | -49.5 | 173.7 | -175.9 | 61.6 | 0 | 0 | 0 | 111.3 | F599 R600 I601 V605 K606 A607 Y711 | F599-D603 VanDerWaalsContact O-CB 3.28Å; F599-D603 WeakPolarHBondContact O-CB 3.35Å; F599-D603 PolarHBondContact O-N 3.18Å; R600-D603 IonicContact NH1-OD2 3.9Å; I601-D603 VanDerWaalsContact C-N 3.31Å; I601-D603 PolarHBondContact O-N 3.31Å; D603-V605 PolarHBondContact O-N 3.38Å; D603-K606 PolarHBondContact O-N 3.38Å; D603-A607 PolarHBondContact O-N 2.68Å; D603-Y711 PolarHBondContact OD2-OH 3.47Å |
| 604 | A | 96.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61 | -44.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F586 R600 I601 K606 A607 F608 Y711 L714 I716 | F586-A604 HydrophobicContact CE1-CB 4.06Å; F586-A604 HydrophobicContact CZ-CB 4.14Å; R600-A604 PolarHBondContact O-N 3.11Å; R600-A604 VanDerWaalsContact O-N 3.08Å; I601-A604 PolarHBondContact O-N 3.38Å; A604-K606 PolarHBondContact O-N 3.24Å; A604-A607 WeakPolarHBondContact O-CB 3.46Å; A604-A607 PolarHBondContact O-N 2.88Å; A604-F608 WeakPolarHBondContact O-CD2 3.3Å; A604-F608 PolarHBondContact O-N 3.05Å; A604-Y711 HydrophobicContact CB-CD1 3.85Å; A604-Y711 HydrophobicContact CB-CD2 3.91Å; A604-Y711 HydrophobicContact CB-CE1 3.77Å; A604-Y711 HydrophobicContact CB-CE2 3.85Å; A604-Y711 HydrophobicContact CB-CG 3.94Å; A604-L714 HydrophobicContact CB-CD1 4.24Å; A604-I716 HydrophobicContact CB-CD1 4.16Å |
| 605 | V | 96.9 | Very high | 94.4 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.012 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.2 | -40.8 | 179.1 | 170.8 | 0 | 0 | 0 | 0 | 111.6 | F586 I601 I602 D603 A607 F608 A609 L620 F622 L684 | F586-V605 HydrophobicContact CE2-CG2 4.18Å; F586-V605 HydrophobicContact CZ-CG2 3.81Å; I601-V605 HydrophobicContact CG2-CG2 4.25Å; I601-V605 VanDerWaalsContact O-CG2 3.28Å; I601-V605 WeakPolarHBondContact O-CG2 3.36Å; I601-V605 PolarHBondContact O-N 3.43Å; I602-V605 PolarHBondContact O-N 3.01Å; D603-V605 PolarHBondContact O-N 3.38Å; V605-A607 VanDerWaalsContact C-N 3.35Å; V605-F608 PolarHBondContact O-N 3.33Å; V605-A609 WeakPolarHBondContact O-CB 3.16Å; V605-A609 PolarHBondContact O-N 3.32Å; V605-L620 HydrophobicContact CG1-CD1 3.64Å; V605-L620 HydrophobicContact CG1-CD2 3.86Å; V605-L620 HydrophobicContact CG1-CG 4.39Å; V605-F622 HydrophobicContact CG1-CD1 4.07Å; V605-F622 HydrophobicContact CG2-CD1 4.18Å; V605-F622 HydrophobicContact CG2-CE1 3.92Å; V605-F622 HydrophobicContact CG2-CZ 4.43Å; V605-L684 HydrophobicContact CG1-CD1 4.23Å; V605-L684 HydrophobicContact CG2-CD2 3.74Å |
| 606 | K | 95.7 | Very high | 94.3 | Very high | 99 Ų | 99 | 45.1 Ų | 45.1 | 43% | 0.43 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.7 | -40.8 | 174.6 | -76.9 | 179 | 179.8 | -179 | 0 | 111.5 | I602 D603 A604 F608 A609 E610 | I602-K606 HydrophobicContact CG2-CD 4.14Å; I602-K606 HydrophobicContact CG2-CG 4.4Å; I602-K606 WeakPolarHBondContact O-CB 3.34Å; I602-K606 VanDerWaalsContact O-CG 3.32Å; I602-K606 WeakPolarHBondContact O-CG 3.03Å; I602-K606 PolarHBondContact O-N 2.89Å; D603-K606 PolarHBondContact O-N 3.38Å; A604-K606 PolarHBondContact O-N 3.24Å; K606-F608 VanDerWaalsContact C-N 3.28Å; K606-F608 PolarHBondContact O-N 2.99Å; K606-A609 PolarHBondContact O-N 3.23Å; K606-A609 VanDerWaalsContact O-N 3.12Å; K606-E610 WeakPolarHBondContact O-CB 3.08Å; K606-E610 PolarHBondContact O-N 2.87Å |
| 607 | A | 96.4 | Very high | 94.2 | Very high | 28 Ų | 28 | 40.8 Ų | 40.8 | 23% | 0.231 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.7 | -40.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D603 A604 V605 S611 I707 | D603-A607 PolarHBondContact O-N 2.68Å; A604-A607 WeakPolarHBondContact O-CB 3.46Å; A604-A607 PolarHBondContact O-N 2.88Å; V605-A607 VanDerWaalsContact C-N 3.35Å; A607-S611 PolarHBondContact O-N 2.87Å; A607-I707 HydrophobicContact CB-CG2 3.76Å; A607-I707 WeakPolarHBondContact O-CD1 3.44Å |
| 608 | F | 96.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.3 | -45.4 | 172.5 | -71.7 | -71.8 | 0 | 0 | 0 | 113 | V584 A604 V605 K606 E610 S611 V686 F704 I707 A708 I716 T718 | V584-F608 HydrophobicContact CG1-CD2 4.23Å; V584-F608 HydrophobicContact CG1-CE2 3.91Å; V584-F608 HydrophobicContact CG1-CZ 4.1Å; V584-F608 HydrophobicContact CG2-CD1 4.49Å; A604-F608 WeakPolarHBondContact O-CD2 3.3Å; A604-F608 PolarHBondContact O-N 3.05Å; V605-F608 PolarHBondContact O-N 3.33Å; K606-F608 VanDerWaalsContact C-N 3.28Å; K606-F608 PolarHBondContact O-N 2.99Å; F608-E610 VanDerWaalsContact C-N 3.34Å; F608-E610 PolarHBondContact O-N 2.89Å; F608-S611 WeakPolarHBondContact O-CB 3.5Å; F608-S611 PolarHBondContact O-N 3.04Å; F608-S611 PolarHBondContact O-OG 2.86Å; F608-V686 HydrophobicContact CB-CG1 4.43Å; F608-V686 HydrophobicContact CB-CG2 4.07Å; F608-F704 HydrophobicContact CD1-CB 4.49Å; F608-F704 AromaticContact CD1-CD1 3.63Å; F608-F704 HydrophobicContact CD1-CD1 3.63Å; F608-F704 AromaticContact CD1-CE1 3.88Å; F608-F704 HydrophobicContact CD1-CE1 3.88Å; F608-F704 AromaticContact CD1-CG 3.97Å; F608-F704 HydrophobicContact CD1-CG 3.97Å; F608-F704 HydrophobicContact CD1-CZ 4.43Å; F608-F704 HydrophobicContact CE1-CB 4.25Å; F608-F704 AromaticContact CE1-CD1 3.96Å; F608-F704 HydrophobicContact CE1-CD1 3.96Å; F608-F704 HydrophobicContact CE1-CG 4.2Å; F608-F704 WeakPolarHBondContact CE1-O 3.21Å; F608-I707 HydrophobicContact CD1-CB 4.16Å; F608-I707 HydrophobicContact CD1-CD1 4.26Å; F608-I707 HydrophobicContact CD1-CG2 3.89Å; F608-I707 HydrophobicContact CD2-CG2 3.99Å; F608-I707 HydrophobicContact CE1-CB 3.79Å; F608-I707 HydrophobicContact CE1-CG2 3.68Å; F608-I707 HydrophobicContact CE2-CG2 3.76Å; F608-I707 HydrophobicContact CG-CG2 4.04Å; F608-I707 HydrophobicContact CZ-CB 4.06Å; F608-I707 HydrophobicContact CZ-CG2 3.6Å; F608-A708 HydrophobicContact CZ-CB 4.11Å; F608-I716 HydrophobicContact CE2-CD1 4.07Å; F608-I716 HydrophobicContact CE2-CG2 4Å; F608-I716 HydrophobicContact CZ-CG2 3.81Å; F608-T718 HydrophobicContact CE1-CG2 3.82Å; F608-T718 HydrophobicContact CZ-CG2 4.15Å |
| 609 | A | 94.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.4 | -39.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V605 K606 G614 G616 L620 | V605-A609 WeakPolarHBondContact O-CB 3.16Å; V605-A609 PolarHBondContact O-N 3.32Å; K606-A609 PolarHBondContact O-N 3.23Å; K606-A609 VanDerWaalsContact O-N 3.12Å; A609-G614 CarbonylContact O-C 3.48Å; A609-G614 VanDerWaalsContact O-CA 3.29Å; A609-G614 WeakPolarHBondContact O-CA 3.38Å; A609-G616 WeakPolarHBondContact O-CA 3.49Å; A609-G616 PolarHBondContact O-N 3.28Å; A609-L620 HydrophobicContact CB-CD1 3.76Å; A609-L620 HydrophobicContact CB-CD2 3.85Å; A609-L620 HydrophobicContact CB-CG 3.79Å |
| 610 | E | 94.4 | Very high | 93.6 | Very high | 135 Ų | 135 | 32.5 Ų | 32.5 | 63% | 0.631 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 9.4 | -177.5 | -62 | 176.8 | -178.7 | 0 | 0 | 112.7 | K606 F608 | K606-E610 WeakPolarHBondContact O-CB 3.08Å; K606-E610 PolarHBondContact O-N 2.87Å; F608-E610 VanDerWaalsContact C-N 3.34Å; F608-E610 PolarHBondContact O-N 2.89Å |
| 611 | S | 94.5 | Very high | 93.5 | Very high | 8 Ų | 8 | 29 Ų | 29 | 6% | 0.056 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -56.3 | 159.3 | 169.8 | 64.8 | 0 | 0 | 0 | 0 | 111.2 | A607 F608 H613 G614 | A607-S611 PolarHBondContact O-N 2.87Å; F608-S611 WeakPolarHBondContact O-CB 3.5Å; F608-S611 PolarHBondContact O-N 3.04Å; F608-S611 PolarHBondContact O-OG 2.86Å; S611-H613 PolarHBondContact O-N 3.24Å; S611-H613 VanDerWaalsContact O-N 3.13Å; S611-G614 WeakPolarHBondContact O-CA 3.24Å; S611-G614 PolarHBondContact O-N 2.91Å; S611-G614 PolarHBondContact OG-N 3.45Å; S611-G614 VanDerWaalsContact OG-N 3.15Å |
| 612 | P | 93.2 | Very high | 93.4 | Very high | 89 Ų | 89 | 29.1 Ų | 29.1 | 58% | 0.578 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | -42.1 | -177.6 | -28.8 | 36 | 0 | 0 | 0 | 113.7 | K689 D703 | P612-K689 WeakPolarHBondContact O-CE 3.44Å; P612-K689 PolarHBondContact O-NZ 3.47Å; P612-D703 WeakPolarHBondContact CD-OD2 3.29Å; P612-D703 WeakPolarHBondContact CG-OD2 3.29Å |
| 613 | H | 93.1 | Very high | 93.2 | Very high | 15 Ų | 15 | 27.2 Ų | 27.2 | 7% | 0.069 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -3.2 | 177.7 | -65 | -66.9 | 0 | 0 | 0 | 113.5 | S611 V688 K689 E699 T700 D703 | S611-H613 PolarHBondContact O-N 3.24Å; S611-H613 VanDerWaalsContact O-N 3.13Å; H613-V688 CarbonylContact O-C 3.51Å; H613-V688 WeakPolarHBondContact O-CA 3.22Å; H613-V688 VanDerWaalsContact O-CB 3.28Å; H613-V688 WeakPolarHBondContact O-CB 3.39Å; H613-K689 WeakPolarHBondContact O-CG 3.48Å; H613-K689 PolarHBondContact O-N 3.08Å; H613-E699 IonicContact CE1-OE2 3.96Å; H613-E699 PolarHBondContact CE1-OE2 3.23Å; H613-E699 WeakPolarHBondContact NE2-CB 3.25Å; H613-E699 IonicContact NE2-OE2 3.86Å; H613-E699 PolarHBondContact NE2-OE2 3Å; H613-T700 HydrophobicContact CB-CG2 4.16Å; H613-T700 WeakPolarHBondContact CB-OG1 3.46Å; H613-T700 PolarHBondContact CD2-OG1 2.95Å; H613-T700 VanDerWaalsContact CG-OG1 3.24Å; H613-D703 IonicContact CD2-OD2 3.31Å |
| 614 | G | 93.8 | Very high | 93.1 | Very high | 3 Ų | 3 | 24.4 Ų | 24.4 | 3% | 0.031 | 14% | 0.137 | C | C | . | . | B | Isolated β-bridge | trans | -69.7 | 145.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A609 S611 G616 K689 | A609-G614 CarbonylContact O-C 3.48Å; A609-G614 VanDerWaalsContact O-CA 3.29Å; A609-G614 WeakPolarHBondContact O-CA 3.38Å; S611-G614 WeakPolarHBondContact O-CA 3.24Å; S611-G614 PolarHBondContact O-N 2.91Å; S611-G614 PolarHBondContact OG-N 3.45Å; S611-G614 VanDerWaalsContact OG-N 3.15Å; G614-G616 VanDerWaalsContact C-N 3.29Å; G614-K689 WeakPolarHBondContact O-CE 3.1Å; G614-K689 PolarHBondContact O-NZ 3.47Å |
| 615 | I | 91.1 | Very high | 92.8 | Very high | 7 Ų | 7 | 27.1 Ų | 27.1 | 4% | 0.036 | 15% | 0.152 | C | C | . | . | trans | -80.2 | -13.4 | 174.5 | -73.5 | 171.2 | 0 | 0 | 0 | 112.3 | P183 Y578 G687 V688 K689 | P183-I615 HydrophobicContact CG-CG2 4.44Å; Y578-I615 HydrophobicContact CD1-CD1 3.62Å; Y578-I615 HydrophobicContact CD1-CG1 4.37Å; Y578-I615 HydrophobicContact CD2-CD1 4.29Å; Y578-I615 HydrophobicContact CD2-CG1 4.26Å; Y578-I615 HydrophobicContact CE1-CD1 3.51Å; Y578-I615 HydrophobicContact CE1-CG1 4.01Å; Y578-I615 HydrophobicContact CE1-CG2 3.98Å; Y578-I615 HydrophobicContact CE2-CD1 4.16Å; Y578-I615 HydrophobicContact CE2-CG1 3.85Å; Y578-I615 HydrophobicContact CE2-CG2 4.34Å; Y578-I615 HydrophobicContact CG-CD1 4.07Å; Y578-I615 WeakPolarHBondContact OH-CG2 3.48Å; I615-G687 WeakPolarHBondContact CB-O 3.38Å; I615-G687 WeakPolarHBondContact CG1-O 3.08Å; I615-G687 PolarHBondContact N-O 3.29Å; I615-V688 VanDerWaalsContact CD1-O 3.3Å; I615-V688 WeakPolarHBondContact CD1-O 3.28Å; I615-K689 HydrophobicContact CG1-CB 4.02Å; I615-K689 HydrophobicContact CG1-CG 4.47Å | ||
| 616 | G | 90.4 | Very high | 92.4 | Very high | 8 Ų | 8 | 28.4 Ų | 28.4 | 8% | 0.082 | 16% | 0.159 | C | C | . | . | trans | 92.3 | -174.1 | -167.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A609 G614 A618 G619 | A609-G616 WeakPolarHBondContact O-CA 3.49Å; A609-G616 PolarHBondContact O-N 3.28Å; G614-G616 VanDerWaalsContact C-N 3.29Å; G616-A618 PolarHBondContact O-N 2.86Å; G616-A618 VanDerWaalsContact O-N 3.16Å; G616-G619 PolarHBondContact O-N 2.81Å | ||
| 617 | T | 88.6 | Confident | 92.2 | Very high | 68 Ų | 68 | 23.7 Ų | 23.7 | 42% | 0.417 | 14% | 0.138 | S | C | . | . | G | 310 helix | trans | -62.2 | -25 | -174.3 | 54.7 | 0 | 0 | 0 | 0 | 113.8 | G619 L620 | T617-G619 PolarHBondContact O-N 2.88Å; T617-L620 HydrophobicContact CG2-CD1 4.16Å; T617-L620 WeakPolarHBondContact O-CB 3.39Å; T617-L620 PolarHBondContact O-N 3.45Å; T617-L620 VanDerWaalsContact O-N 3.11Å |
| 618 | A | 85.7 | Confident | 91.9 | Very high | 21 Ų | 21 | 26 Ų | 26 | 17% | 0.174 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -61.2 | -25.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | K184 G616 | K184-A618 WeakPolarHBondContact CD-O 3.49Å; K184-A618 WeakPolarHBondContact CE-O 3.44Å; K184-A618 WeakPolarHBondContact CG-O 3.43Å; G616-A618 PolarHBondContact O-N 2.86Å; G616-A618 VanDerWaalsContact O-N 3.16Å |
| 619 | G | 89.5 | Confident | 91.4 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -87.3 | -3.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | G616 T617 G687 | G616-G619 PolarHBondContact O-N 2.81Å; T617-G619 PolarHBondContact O-N 2.88Å; G619-G687 PolarHBondContact O-N 3.28Å |
| 620 | L | 92.8 | Very high | 91 | Very high | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.016 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 131.9 | -175.6 | -71.1 | 174.9 | 0 | 0 | 0 | 112.1 | K184 V605 A609 T617 L625 L684 M685 V686 | K184-L620 WeakPolarHBondContact CE-O 3.33Å; K184-L620 PolarHBondContact NZ-O 2.78Å; V605-L620 HydrophobicContact CG1-CD1 3.64Å; V605-L620 HydrophobicContact CG1-CD2 3.86Å; V605-L620 HydrophobicContact CG1-CG 4.39Å; A609-L620 HydrophobicContact CB-CD1 3.76Å; A609-L620 HydrophobicContact CB-CD2 3.85Å; A609-L620 HydrophobicContact CB-CG 3.79Å; T617-L620 HydrophobicContact CG2-CD1 4.16Å; T617-L620 WeakPolarHBondContact O-CB 3.39Å; T617-L620 PolarHBondContact O-N 3.45Å; T617-L620 VanDerWaalsContact O-N 3.11Å; L620-L625 HydrophobicContact CD1-CD1 4.09Å; L620-L684 HydrophobicContact CD2-CD1 3.95Å; L620-M685 CarbonylContact C-O 3.4Å; L620-M685 WeakPolarHBondContact CA-O 3.42Å; L620-V686 HydrophobicContact CD2-CB 4.34Å; L620-V686 HydrophobicContact CD2-CG1 4.23Å; L620-V686 HydrophobicContact CD2-CG2 3.81Å |
| 621 | Q | 91.8 | Very high | 90.7 | Very high | 20 Ų | 20 | 26 Ų | 26 | 9% | 0.093 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 99.7 | 164 | -49.7 | 169.2 | 56.6 | 0 | 0 | 107.4 | R96 Y193 L684 M685 | R96-Q621 VanDerWaalsContact CZ-OE1 3.29Å; R96-Q621 VanDerWaalsContact NH2-CB 3.35Å; Y193-Q621 HydrophobicContact CD2-CG 3.96Å; Y193-Q621 HydrophobicContact CG-CG 4.01Å; Q621-L684 WeakPolarHBondContact O-CB 3.29Å; Q621-M685 HydrophobicContact CB-CB 4.05Å; Q621-M685 HydrophobicContact CG-CB 4.23Å; Q621-M685 PolarHBondContact N-O 3.01Å; Q621-M685 PolarHBondContact O-N 3.43Å; Q621-M685 VanDerWaalsContact O-N 3.12Å |
| 622 | F | 93.6 | Very high | 90.5 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.009 | 15% | 0.154 | C | C | . | . | trans | -143.9 | 116.5 | -172.8 | -179.3 | -147.5 | 0 | 0 | 0 | 111 | I601 V605 L624 L625 D626 F682 L684 | I601-F622 HydrophobicContact CG2-CE1 4.14Å; I601-F622 HydrophobicContact CG2-CZ 3.76Å; V605-F622 HydrophobicContact CG1-CD1 4.07Å; V605-F622 HydrophobicContact CG2-CD1 4.18Å; V605-F622 HydrophobicContact CG2-CE1 3.92Å; V605-F622 HydrophobicContact CG2-CZ 4.43Å; F622-L624 HydrophobicContact CD1-CB 4.22Å; F622-L624 HydrophobicContact CD2-CB 4.35Å; F622-L624 HydrophobicContact CE1-CB 3.61Å; F622-L624 HydrophobicContact CE1-CD2 4.04Å; F622-L624 HydrophobicContact CE1-CG 4.35Å; F622-L624 HydrophobicContact CE2-CB 3.74Å; F622-L624 HydrophobicContact CZ-CB 3.34Å; F622-L624 HydrophobicContact CZ-CD2 3.79Å; F622-L624 HydrophobicContact CZ-CG 4.2Å; F622-L624 PolarHBondContact O-N 2.79Å; F622-L624 VanDerWaalsContact O-N 3.16Å; F622-L625 HydrophobicContact CD1-CD1 4.07Å; F622-L625 HydrophobicContact CD1-CG 3.79Å; F622-L625 HydrophobicContact CE1-CG 4.44Å; F622-L625 PolarHBondContact O-N 3.36Å; F622-D626 PolarHBondContact O-N 2.89Å; F622-F682 HydrophobicContact CD2-CE2 4.41Å; F622-F682 AromaticContact CE2-CD2 3.89Å; F622-F682 HydrophobicContact CE2-CD2 3.89Å; F622-F682 AromaticContact CE2-CE2 3.5Å; F622-F682 HydrophobicContact CE2-CE2 3.5Å; F622-F682 HydrophobicContact CE2-CZ 4.06Å; F622-F682 AromaticContact CZ-CE2 3.93Å; F622-F682 HydrophobicContact CZ-CE2 3.93Å; F622-F682 HydrophobicContact CZ-CZ 4.09Å; F622-L684 HydrophobicContact CB-CB 4.08Å; F622-L684 HydrophobicContact CD2-CB 3.93Å; F622-L684 HydrophobicContact CD2-CD2 4.27Å; F622-L684 HydrophobicContact CG-CB 4.23Å | ||
| 623 | W | 92.5 | Very high | 90.1 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 0% | 0.004 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.5 | -31.2 | -173.9 | 64.1 | -96.7 | 0 | 0 | 0 | 114.6 | V592 D626 F627 L651 F655 Y663 V667 I679 F682 | V592-W623 HydrophobicContact CG2-CH2 4.44Å; W623-D626 PolarHBondContact O-N 2.86Å; W623-F627 WeakPolarHBondContact O-CB 3.36Å; W623-F627 PolarHBondContact O-N 2.91Å; W623-L651 HydrophobicContact CE3-CD1 3.77Å; W623-L651 HydrophobicContact CH2-CD2 4.24Å; W623-L651 HydrophobicContact CZ3-CD1 3.66Å; W623-L651 HydrophobicContact CZ3-CD2 3.88Å; W623-L651 HydrophobicContact CZ3-CG 4.45Å; W623-F655 HydrophobicContact CB-CE1 4.01Å; W623-F655 HydrophobicContact CB-CZ 4.37Å; W623-F655 HydrophobicContact CD2-CE1 4.5Å; W623-F655 AromaticContact CD2-CZ 4Å; W623-F655 HydrophobicContact CD2-CZ 4Å; W623-F655 HydrophobicContact CE3-CE1 4.49Å; W623-F655 AromaticContact CE3-CZ 3.95Å; W623-F655 HydrophobicContact CE3-CZ 3.95Å; W623-F655 HydrophobicContact CG-CE1 4.32Å; W623-F655 HydrophobicContact CG-CZ 4.18Å; W623-Y663 HydrophobicContact CB-CD1 3.85Å; W623-Y663 HydrophobicContact CB-CD2 3.83Å; W623-Y663 HydrophobicContact CB-CE1 4.37Å; W623-Y663 HydrophobicContact CB-CE2 4.34Å; W623-Y663 HydrophobicContact CB-CG 3.55Å; W623-V667 HydrophobicContact CD2-CG2 4.45Å; W623-V667 HydrophobicContact CG-CG2 4.43Å; W623-I679 HydrophobicContact CH2-CD1 3.61Å; W623-I679 HydrophobicContact CZ2-CD1 3.65Å; W623-F682 HydrophobicContact CZ2-CD1 4.17Å; W623-F682 HydrophobicContact CZ2-CG 4.37Å; W623-F682 AromaticContact NE1-CD2 3.89Å; W623-F682 AromaticContact NE1-CG 3.74Å |
| 624 | L | 92.8 | Very high | 89.7 | Confident | 3 Ų | 3 | 31.8 Ų | 31.8 | 2% | 0.016 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -70.9 | -37.1 | -175.6 | -177.6 | 63 | 0 | 0 | 0 | 111.9 | R598 I601 I602 F622 F627 D628 | R598-L624 HydrophobicContact CG-CD2 4.33Å; I601-L624 HydrophobicContact CG2-CD2 4.46Å; I602-L624 HydrophobicContact CG1-CD2 4.49Å; F622-L624 HydrophobicContact CD1-CB 4.22Å; F622-L624 HydrophobicContact CD2-CB 4.35Å; F622-L624 HydrophobicContact CE1-CB 3.61Å; F622-L624 HydrophobicContact CE1-CD2 4.04Å; F622-L624 HydrophobicContact CE1-CG 4.35Å; F622-L624 HydrophobicContact CE2-CB 3.74Å; F622-L624 HydrophobicContact CZ-CB 3.34Å; F622-L624 HydrophobicContact CZ-CD2 3.79Å; F622-L624 HydrophobicContact CZ-CG 4.2Å; F622-L624 PolarHBondContact O-N 2.79Å; F622-L624 VanDerWaalsContact O-N 3.16Å; L624-F627 PolarHBondContact O-N 3.41Å; L624-D628 WeakPolarHBondContact O-CB 3.49Å; L624-D628 PolarHBondContact O-N 3.43Å |
| 625 | L | 90.5 | Very high | 89.2 | Confident | 58 Ų | 58 | 33.4 Ų | 33.4 | 30% | 0.304 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -68.4 | -43.4 | 176.4 | -65.2 | 176.6 | 0 | 0 | 0 | 110.4 | I602 L620 F622 F627 D628 E629 | I602-L625 HydrophobicContact CG1-CD2 4.48Å; L620-L625 HydrophobicContact CD1-CD1 4.09Å; F622-L625 HydrophobicContact CD1-CD1 4.07Å; F622-L625 HydrophobicContact CD1-CG 3.79Å; F622-L625 HydrophobicContact CE1-CG 4.44Å; F622-L625 PolarHBondContact O-N 3.36Å; L625-F627 VanDerWaalsContact C-N 3.3Å; L625-F627 PolarHBondContact O-N 3.43Å; L625-D628 PolarHBondContact O-N 2.94Å; L625-E629 PolarHBondContact O-N 3.42Å; L625-E629 VanDerWaalsContact O-N 3.1Å |
| 626 | D | 88.8 | Confident | 89 | Confident | 29 Ų | 29 | 40.6 Ų | 40.6 | 16% | 0.155 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.3 | -32.9 | 177.8 | -64.2 | 8.3 | 0 | 0 | 0 | 111.5 | F622 W623 F630 F654 Y663 | F622-D626 PolarHBondContact O-N 2.89Å; W623-D626 PolarHBondContact O-N 2.86Å; D626-F630 WeakPolarHBondContact O-CB 3.47Å; D626-F630 PolarHBondContact O-N 3.33Å; D626-F654 HydrophobicContact CB-CZ 4.1Å; D626-Y663 HydrophobicContact CB-CE2 4.21Å; D626-Y663 WeakPolarHBondContact OD2-CE2 3.24Å; D626-Y663 VanDerWaalsContact OD2-CZ 3.26Å; D626-Y663 PolarHBondContact OD2-OH 3.29Å |
| 627 | F | 90.7 | Very high | 89 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.3 | -39.4 | 174.9 | -179.2 | -117.6 | 0 | 0 | 0 | 112.4 | W623 L624 L625 E629 F630 L631 I639 F647 H650 L651 F654 | W623-F627 WeakPolarHBondContact O-CB 3.36Å; W623-F627 PolarHBondContact O-N 2.91Å; L624-F627 PolarHBondContact O-N 3.41Å; L625-F627 VanDerWaalsContact C-N 3.3Å; L625-F627 PolarHBondContact O-N 3.43Å; F627-E629 VanDerWaalsContact C-N 3.33Å; F627-F630 HydrophobicContact CD2-CD1 4.48Å; F627-F630 PolarHBondContact O-N 3.14Å; F627-L631 HydrophobicContact CD1-CD1 4.05Å; F627-L631 HydrophobicContact CD2-CD1 4.48Å; F627-L631 HydrophobicContact CD2-CG 4.29Å; F627-L631 HydrophobicContact CE1-CD1 3.46Å; F627-L631 VanDerWaalsContact CE1-CD1 3.46Å; F627-L631 HydrophobicContact CE1-CG 4.24Å; F627-L631 HydrophobicContact CE2-CD1 3.95Å; F627-L631 HydrophobicContact CE2-CD2 4.11Å; F627-L631 HydrophobicContact CE2-CG 3.81Å; F627-L631 HydrophobicContact CZ-CD1 3.41Å; F627-L631 VanDerWaalsContact CZ-CD1 3.41Å; F627-L631 HydrophobicContact CZ-CD2 4.08Å; F627-L631 HydrophobicContact CZ-CG 3.79Å; F627-L631 PolarHBondContact O-N 3.06Å; F627-I639 HydrophobicContact CD1-CD1 3.72Å; F627-I639 HydrophobicContact CD1-CG1 4.39Å; F627-I639 HydrophobicContact CE1-CD1 4.1Å; F627-I639 HydrophobicContact CE1-CG1 4.31Å; F627-F647 HydrophobicContact CD1-CE2 4.28Å; F627-F647 HydrophobicContact CE1-CD2 4.07Å; F627-F647 AromaticContact CE1-CE2 3.71Å; F627-F647 HydrophobicContact CE1-CE2 3.71Å; F627-F647 HydrophobicContact CE1-CZ 4.22Å; F627-H650 HydrophobicContact CE2-CB 4.29Å; F627-H650 HydrophobicContact CZ-CB 4.06Å; F627-L651 HydrophobicContact CD1-CD1 4.08Å; F627-L651 HydrophobicContact CD2-CD1 3.96Å; F627-L651 HydrophobicContact CE1-CB 4.43Å; F627-L651 HydrophobicContact CE1-CD1 4.23Å; F627-L651 HydrophobicContact CE2-CB 4.27Å; F627-L651 HydrophobicContact CE2-CD1 4.13Å; F627-L651 HydrophobicContact CG-CD1 3.93Å; F627-L651 HydrophobicContact CZ-CB 3.99Å; F627-L651 HydrophobicContact CZ-CD1 4.25Å; F627-F654 HydrophobicContact CB-CD1 4.31Å; F627-F654 HydrophobicContact CB-CE1 4.13Å; F627-F654 HydrophobicContact CB-CZ 4.33Å; F627-F654 HydrophobicContact CD2-CB 3.75Å; F627-F654 AromaticContact CD2-CD1 3.91Å; F627-F654 HydrophobicContact CD2-CD1 3.91Å; F627-F654 HydrophobicContact CD2-CD2 4.1Å; F627-F654 AromaticContact CD2-CG 3.66Å; F627-F654 HydrophobicContact CD2-CG 3.66Å; F627-F654 HydrophobicContact CE2-CB 3.9Å; F627-F654 HydrophobicContact CE2-CG 4.33Å; F627-F654 HydrophobicContact CG-CD1 4.49Å |
| 628 | D | 90.1 | Very high | 89 | Confident | 77 Ų | 77 | 45 Ų | 45 | 41% | 0.412 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.4 | -37.3 | 175.1 | -166.7 | 41 | 0 | 0 | 0 | 111.8 | L624 L625 P632 I639 | L624-D628 WeakPolarHBondContact O-CB 3.49Å; L624-D628 PolarHBondContact O-N 3.43Å; L625-D628 PolarHBondContact O-N 2.94Å; D628-P632 WeakPolarHBondContact O-CD 3.22Å; D628-I639 HydrophobicContact CB-CD1 3.6Å; D628-I639 VanDerWaalsContact OD1-CD1 3.28Å; D628-I639 WeakPolarHBondContact OD1-CD1 3.24Å; D628-I639 WeakPolarHBondContact OD1-CG1 3.34Å |
| 629 | E | 86.2 | Confident | 89.1 | Confident | 105 Ų | 105 | 44.3 Ų | 44.3 | 49% | 0.491 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -71.5 | -37.1 | 171.3 | -169 | 174.9 | 174.3 | 0 | 0 | 111.8 | L625 F627 L633 | L625-E629 PolarHBondContact O-N 3.42Å; L625-E629 VanDerWaalsContact O-N 3.1Å; F627-E629 VanDerWaalsContact C-N 3.33Å; E629-L633 HydrophobicContact CG-CD1 4.32Å; E629-L633 WeakPolarHBondContact O-CD1 3.4Å |
| 630 | F | 86.5 | Confident | 89 | Confident | 28 Ų | 28 | 50.1 Ų | 50.1 | 12% | 0.123 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.1 | -43.2 | -176.7 | 173.5 | -90.3 | 0 | 0 | 0 | 113.8 | D626 F627 L633 H634 F654 L657 | D626-F630 WeakPolarHBondContact O-CB 3.47Å; D626-F630 PolarHBondContact O-N 3.33Å; F627-F630 HydrophobicContact CD2-CD1 4.48Å; F627-F630 PolarHBondContact O-N 3.14Å; F630-L633 PolarHBondContact O-N 3.04Å; F630-H634 HydrophobicContact CD1-CB 4.45Å; F630-H634 AromaticContact CD2-CE1 3.25Å; F630-H634 WeakPolarHBondContact CD2-CE1 3.3Å; F630-H634 AromaticContact CD2-CG 3.79Å; F630-H634 AromaticContact CD2-ND1 3.14Å; F630-H634 WeakPolarHBondContact CD2-ND1 3.33Å; F630-H634 AromaticContact CD2-NE2 3.94Å; F630-H634 HydrophobicContact CE1-CB 3.92Å; F630-H634 HydrophobicContact CE2-CB 4.09Å; F630-H634 AromaticContact CE2-CD2 3.49Å; F630-H634 VanDerWaalsContact CE2-CD2 3.49Å; F630-H634 WeakPolarHBondContact CE2-CD2 3.31Å; F630-H634 AromaticContact CE2-CE1 3.25Å; F630-H634 WeakPolarHBondContact CE2-CE1 3.36Å; F630-H634 AromaticContact CE2-CG 3.32Å; F630-H634 AromaticContact CE2-ND1 3.18Å; F630-H634 WeakPolarHBondContact CE2-ND1 3.48Å; F630-H634 AromaticContact CE2-NE2 3.45Å; F630-H634 WeakPolarHBondContact CE2-NE2 3.45Å; F630-H634 AromaticContact CG-ND1 3.68Å; F630-H634 HydrophobicContact CZ-CB 3.7Å; F630-H634 AromaticContact CZ-CD2 3.79Å; F630-H634 AromaticContact CZ-CG 3.45Å; F630-H634 VanDerWaalsContact CZ-CG 3.45Å; F630-H634 AromaticContact CZ-ND1 3.73Å; F630-H634 PolarHBondContact O-N 2.98Å; F630-H634 PolarHBondContact O-ND1 2.89Å; F630-F654 HydrophobicContact CB-CD2 3.95Å; F630-F654 HydrophobicContact CB-CE2 3.78Å; F630-F654 HydrophobicContact CD1-CB 4.49Å; F630-F654 AromaticContact CD1-CD2 3.68Å; F630-F654 HydrophobicContact CD1-CD2 3.68Å; F630-F654 HydrophobicContact CD1-CE2 4.39Å; F630-F654 HydrophobicContact CD1-CG 4.49Å; F630-F654 AromaticContact CD2-CD2 3.77Å; F630-F654 HydrophobicContact CD2-CD2 3.77Å; F630-F654 AromaticContact CD2-CE2 3.97Å; F630-F654 HydrophobicContact CD2-CE2 3.97Å; F630-F654 HydrophobicContact CE1-CB 4.43Å; F630-F654 HydrophobicContact CE1-CD2 4.12Å; F630-F654 HydrophobicContact CE2-CD2 4.2Å; F630-F654 AromaticContact CG-CD2 3.52Å; F630-F654 HydrophobicContact CG-CD2 3.52Å; F630-F654 AromaticContact CG-CE2 3.8Å; F630-F654 HydrophobicContact CG-CE2 3.8Å; F630-F654 HydrophobicContact CZ-CD2 4.38Å; F630-L657 HydrophobicContact CE1-CD1 4.44Å; F630-L657 HydrophobicContact CE2-CD1 3.58Å; F630-L657 HydrophobicContact CZ-CD1 3.36Å |
| 631 | L | 89.6 | Confident | 88.8 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.6 | -50.5 | -171.2 | -87.9 | 171.9 | 0 | 0 | 0 | 113.8 | F627 L633 H634 S635 H636 L637 I639 I642 H650 | F627-L631 HydrophobicContact CD1-CD1 4.05Å; F627-L631 HydrophobicContact CD2-CD1 4.48Å; F627-L631 HydrophobicContact CD2-CG 4.29Å; F627-L631 HydrophobicContact CE1-CD1 3.46Å; F627-L631 VanDerWaalsContact CE1-CD1 3.46Å; F627-L631 HydrophobicContact CE1-CG 4.24Å; F627-L631 HydrophobicContact CE2-CD1 3.95Å; F627-L631 HydrophobicContact CE2-CD2 4.11Å; F627-L631 HydrophobicContact CE2-CG 3.81Å; F627-L631 HydrophobicContact CZ-CD1 3.41Å; F627-L631 VanDerWaalsContact CZ-CD1 3.41Å; F627-L631 HydrophobicContact CZ-CD2 4.08Å; F627-L631 HydrophobicContact CZ-CG 3.79Å; F627-L631 PolarHBondContact O-N 3.06Å; L631-L633 VanDerWaalsContact C-N 3.26Å; L631-L633 PolarHBondContact O-N 3.31Å; L631-H634 PolarHBondContact O-N 3.4Å; L631-S635 WeakPolarHBondContact CD2-OG 3.31Å; L631-S635 WeakPolarHBondContact O-CA 3.42Å; L631-S635 PolarHBondContact O-N 3.28Å; L631-S635 PolarHBondContact O-OG 3.38Å; L631-H636 PolarHBondContact O-N 3.44Å; L631-L637 CarbonylContact C-O 3.36Å; L631-I639 HydrophobicContact CD1-CB 4.44Å; L631-I639 HydrophobicContact CD1-CD1 4.12Å; L631-I639 HydrophobicContact CD1-CG1 3.29Å; L631-I642 HydrophobicContact CD1-CD1 4.05Å; L631-H650 HydrophobicContact CD2-CB 3.97Å |
| 632 | P | 89.5 | Confident | 88.7 | Confident | 35 Ų | 35 | 56.1 Ų | 56.1 | 23% | 0.227 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.7 | -33.8 | 177.4 | -24.1 | 34.5 | 0 | 0 | 0 | 112.8 | D628 H636 L637 F638 | D628-P632 WeakPolarHBondContact O-CD 3.22Å; P632-H636 WeakPolarHBondContact O-CA 3.49Å; P632-H636 PolarHBondContact O-N 2.77Å; P632-H636 PolarHBondContact O-ND1 2.91Å; P632-L637 WeakPolarHBondContact CA-O 3.34Å; P632-F638 HydrophobicContact CB-CE1 4.23Å; P632-F638 HydrophobicContact CG-CD1 3.94Å; P632-F638 HydrophobicContact CG-CE1 4Å |
| 633 | L | 85.5 | Confident | 88.4 | Confident | 107 Ų | 107 | 59.8 Ų | 59.8 | 56% | 0.56 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -71.1 | -38.5 | -179.9 | -91.3 | 90.3 | 0 | 0 | 0 | 112.9 | E629 F630 L631 | E629-L633 HydrophobicContact CG-CD1 4.32Å; E629-L633 WeakPolarHBondContact O-CD1 3.4Å; F630-L633 PolarHBondContact O-N 3.04Å; L631-L633 VanDerWaalsContact C-N 3.26Å; L631-L633 PolarHBondContact O-N 3.31Å |
| 634 | H | 83.3 | Confident | 88.2 | Confident | 93 Ų | 93 | 64.7 Ų | 64.7 | 43% | 0.431 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -103.4 | -30.9 | -171.2 | -67.2 | 79.4 | 0 | 0 | 0 | 114.2 | F630 L631 | F630-H634 HydrophobicContact CD1-CB 4.45Å; F630-H634 AromaticContact CD2-CE1 3.25Å; F630-H634 WeakPolarHBondContact CD2-CE1 3.3Å; F630-H634 AromaticContact CD2-CG 3.79Å; F630-H634 AromaticContact CD2-ND1 3.14Å; F630-H634 WeakPolarHBondContact CD2-ND1 3.33Å; F630-H634 AromaticContact CD2-NE2 3.94Å; F630-H634 HydrophobicContact CE1-CB 3.92Å; F630-H634 HydrophobicContact CE2-CB 4.09Å; F630-H634 AromaticContact CE2-CD2 3.49Å; F630-H634 VanDerWaalsContact CE2-CD2 3.49Å; F630-H634 WeakPolarHBondContact CE2-CD2 3.31Å; F630-H634 AromaticContact CE2-CE1 3.25Å; F630-H634 WeakPolarHBondContact CE2-CE1 3.36Å; F630-H634 AromaticContact CE2-CG 3.32Å; F630-H634 AromaticContact CE2-ND1 3.18Å; F630-H634 WeakPolarHBondContact CE2-ND1 3.48Å; F630-H634 AromaticContact CE2-NE2 3.45Å; F630-H634 WeakPolarHBondContact CE2-NE2 3.45Å; F630-H634 AromaticContact CG-ND1 3.68Å; F630-H634 HydrophobicContact CZ-CB 3.7Å; F630-H634 AromaticContact CZ-CD2 3.79Å; F630-H634 AromaticContact CZ-CG 3.45Å; F630-H634 VanDerWaalsContact CZ-CG 3.45Å; F630-H634 AromaticContact CZ-ND1 3.73Å; F630-H634 PolarHBondContact O-N 2.98Å; F630-H634 PolarHBondContact O-ND1 2.89Å; L631-H634 PolarHBondContact O-N 3.4Å |
| 635 | S | 84.6 | Confident | 87.9 | Confident | 36 Ų | 36 | 71.2 Ų | 71.2 | 25% | 0.252 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -118.7 | -7.6 | -174.7 | 64.4 | 0 | 0 | 0 | 0 | 113.8 | L631 L637 | L631-S635 WeakPolarHBondContact CD2-OG 3.31Å; L631-S635 WeakPolarHBondContact O-CA 3.42Å; L631-S635 PolarHBondContact O-N 3.28Å; L631-S635 PolarHBondContact O-OG 3.38Å; S635-L637 PolarHBondContact O-N 3.47Å |
| 636 | H | 87.3 | Confident | 87.8 | Confident | 159 Ų | 159 | 72.2 Ų | 72.2 | 74% | 0.736 | 35% | 0.352 | S | S | * | . | S | Bend | trans | 54.8 | 27.5 | -172.7 | -54.2 | -56.6 | 0 | 0 | 0 | 113.4 | L631 P632 | L631-H636 PolarHBondContact O-N 3.44Å; P632-H636 WeakPolarHBondContact O-CA 3.49Å; P632-H636 PolarHBondContact O-N 2.77Å; P632-H636 PolarHBondContact O-ND1 2.91Å |
| 637 | L | 89.4 | Confident | 87.9 | Confident | 51 Ų | 51 | 70.9 Ų | 70.9 | 27% | 0.267 | 35% | 0.345 | S | S | . | . | trans | -111.9 | 149.5 | 176.7 | -64.9 | 169.2 | 0 | 0 | 0 | 109.7 | L631 P632 S635 I642 | L631-L637 CarbonylContact C-O 3.36Å; P632-L637 WeakPolarHBondContact CA-O 3.34Å; S635-L637 PolarHBondContact O-N 3.47Å; L637-I642 HydrophobicContact CB-CG2 4.18Å; L637-I642 HydrophobicContact CD1-CG2 4Å; L637-I642 HydrophobicContact CG-CG2 4.47Å | ||
| 638 | F | 89.5 | Confident | 87.8 | Confident | 116 Ų | 116 | 71.3 Ų | 71.3 | 51% | 0.509 | 35% | 0.347 | S | S | . | . | trans | -100.8 | 148.3 | 169 | -63 | -81.9 | 0 | 0 | 0 | 110.9 | P632 D640 E641 | P632-F638 HydrophobicContact CB-CE1 4.23Å; P632-F638 HydrophobicContact CG-CD1 3.94Å; P632-F638 HydrophobicContact CG-CE1 4Å; F638-D640 PolarHBondContact O-N 3.31Å; F638-D640 VanDerWaalsContact O-N 3.12Å; F638-E641 HydrophobicContact CB-CG 4.08Å; F638-E641 PolarHBondContact N-OE2 3.44Å; F638-E641 PolarHBondContact O-N 3.09Å | ||
| 639 | I | 87.8 | Confident | 87.8 | Confident | 7 Ų | 7 | 70.9 Ų | 70.9 | 4% | 0.036 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -32 | -179.8 | -78.8 | -172.2 | 0 | 0 | 0 | 112.7 | R598 F627 D628 L631 E641 I642 F647 | R598-I639 VanDerWaalsContact NE-CG2 3.29Å; F627-I639 HydrophobicContact CD1-CD1 3.72Å; F627-I639 HydrophobicContact CD1-CG1 4.39Å; F627-I639 HydrophobicContact CE1-CD1 4.1Å; F627-I639 HydrophobicContact CE1-CG1 4.31Å; D628-I639 HydrophobicContact CB-CD1 3.6Å; D628-I639 VanDerWaalsContact OD1-CD1 3.28Å; D628-I639 WeakPolarHBondContact OD1-CD1 3.24Å; D628-I639 WeakPolarHBondContact OD1-CG1 3.34Å; L631-I639 HydrophobicContact CD1-CB 4.44Å; L631-I639 HydrophobicContact CD1-CD1 4.12Å; L631-I639 HydrophobicContact CD1-CG1 3.29Å; I639-E641 VanDerWaalsContact C-N 3.35Å; I639-I642 VanDerWaalsContact O-CG1 3.28Å; I639-I642 WeakPolarHBondContact O-CG1 3.27Å; I639-F647 HydrophobicContact CG2-CE2 4.39Å |
| 640 | D | 87.5 | Confident | 88 | Confident | 122 Ų | 122 | 68.4 Ų | 68.4 | 65% | 0.652 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -9.6 | -178.4 | -64.9 | -34.6 | 0 | 0 | 0 | 113.7 | R598 F638 | R598-D640 IonicContact CZ-OD1 3.75Å; R598-D640 IonicContact NH2-OD1 3.29Å; R598-D640 PolarHBondContact NH2-OD1 3.4Å; F638-D640 PolarHBondContact O-N 3.31Å; F638-D640 VanDerWaalsContact O-N 3.12Å |
| 641 | E | 87.9 | Confident | 88.1 | Confident | 130 Ų | 130 | 67.1 Ų | 67.1 | 61% | 0.607 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -18.6 | 179.7 | -66.4 | 177.4 | 160.9 | 0 | 0 | 113.2 | F638 I639 | F638-E641 HydrophobicContact CB-CG 4.08Å; F638-E641 PolarHBondContact N-OE2 3.44Å; F638-E641 PolarHBondContact O-N 3.09Å; I639-E641 VanDerWaalsContact C-N 3.35Å |
| 642 | I | 88.7 | Confident | 88 | Confident | 19 Ų | 19 | 71 Ų | 71 | 10% | 0.097 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -92.4 | 143.4 | -175.3 | 59.2 | -179.4 | 0 | 0 | 0 | 111.5 | L631 L637 I639 Q646 F647 | L631-I642 HydrophobicContact CD1-CD1 4.05Å; L637-I642 HydrophobicContact CB-CG2 4.18Å; L637-I642 HydrophobicContact CD1-CG2 4Å; L637-I642 HydrophobicContact CG-CG2 4.47Å; I639-I642 VanDerWaalsContact O-CG1 3.28Å; I639-I642 WeakPolarHBondContact O-CG1 3.27Å; I642-Q646 HydrophobicContact CB-CB 4.03Å; I642-F647 HydrophobicContact CD1-CB 4.05Å; I642-F647 HydrophobicContact CD1-CD2 4.14Å; I642-F647 HydrophobicContact CG1-CB 4.35Å |
| 643 | D | 88.2 | Confident | 87.8 | Confident | 79 Ų | 79 | 72.9 Ų | 72.9 | 42% | 0.422 | 36% | 0.356 | S | S | . | . | trans | -72.7 | 169.3 | 173.6 | 71.6 | 38.1 | 0 | 0 | 0 | 111.7 | Q645 Q646 F647 | D643-Q645 VanDerWaalsContact C-N 3.26Å; D643-Q645 PolarHBondContact O-N 2.97Å; D643-Q645 WeakPolarHBondContact OD1-CA 3.45Å; D643-Q645 PolarHBondContact OD1-N 2.86Å; D643-Q646 PolarHBondContact O-N 3.25Å; D643-Q646 WeakPolarHBondContact OD1-CB 3.27Å; D643-Q646 VanDerWaalsContact OD1-CG 3.29Å; D643-Q646 WeakPolarHBondContact OD1-CG 3.18Å; D643-Q646 PolarHBondContact OD1-N 3.02Å; D643-Q646 PolarHBondContact OD2-NE2 2.86Å; D643-F647 WeakPolarHBondContact O-CB 3.41Å; D643-F647 PolarHBondContact O-N 3.42Å | ||
| 644 | R | 87.5 | Confident | 88 | Confident | 105 Ų | 105 | 67.9 Ų | 67.9 | 40% | 0.396 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -56.9 | -37.6 | -179 | 172.9 | 170.2 | 171.8 | 166.2 | -3.9 | 113.2 | D591 S593 Y648 E677 | D591-R644 IonicContact OD2-CZ 3.02Å; D591-R644 IonicContact OD2-NE 2.7Å; D591-R644 IonicContact OD2-NH1 2.73Å; D591-R644 PolarHBondContact OD2-NH1 3.05Å; S593-R644 WeakPolarHBondContact OG-CG 3.39Å; R644-Y648 HydrophobicContact CG-CD2 4.09Å; R644-Y648 HydrophobicContact CG-CE2 3.89Å; R644-Y648 WeakPolarHBondContact O-CD2 3.48Å; R644-Y648 PolarHBondContact O-N 2.97Å; R644-E677 PolarHBondContact NH2-O 2.94Å |
| 645 | Q | 86.1 | Confident | 88.2 | Confident | 139 Ų | 139 | 63.6 Ų | 63.6 | 65% | 0.65 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -73.4 | -46.7 | -177.3 | -176 | 172.2 | -6.8 | 0 | 0 | 110.4 | D643 F647 Y648 D649 | D643-Q645 VanDerWaalsContact C-N 3.26Å; D643-Q645 PolarHBondContact O-N 2.97Å; D643-Q645 WeakPolarHBondContact OD1-CA 3.45Å; D643-Q645 PolarHBondContact OD1-N 2.86Å; Q645-F647 VanDerWaalsContact C-N 3.27Å; Q645-F647 PolarHBondContact O-N 3.49Å; Q645-Y648 PolarHBondContact O-N 3.06Å; Q645-D649 PolarHBondContact O-N 3.28Å |
| 646 | Q | 88.9 | Confident | 88.2 | Confident | 79 Ų | 79 | 67.9 Ų | 67.9 | 37% | 0.369 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.3 | -39 | 174 | -68.9 | 174.5 | 31.6 | 0 | 0 | 111.7 | I642 D643 D649 H650 | I642-Q646 HydrophobicContact CB-CB 4.03Å; D643-Q646 PolarHBondContact O-N 3.25Å; D643-Q646 WeakPolarHBondContact OD1-CB 3.27Å; D643-Q646 VanDerWaalsContact OD1-CG 3.29Å; D643-Q646 WeakPolarHBondContact OD1-CG 3.18Å; D643-Q646 PolarHBondContact OD1-N 3.02Å; D643-Q646 PolarHBondContact OD2-NE2 2.86Å; Q646-D649 PolarHBondContact O-N 3.31Å; Q646-H650 WeakPolarHBondContact O-CB 3.45Å; Q646-H650 PolarHBondContact O-N 3.26Å; Q646-H650 PolarHBondContact O-ND1 3.36Å |
| 647 | F | 91.2 | Very high | 88 | Confident | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.009 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -55 | -53.1 | 174.2 | 176.5 | -87.6 | 0 | 0 | 0 | 111.3 | V592 F627 I639 I642 D643 Q645 L651 | V592-F647 HydrophobicContact CB-CZ 4.49Å; V592-F647 HydrophobicContact CG2-CE1 3.69Å; V592-F647 HydrophobicContact CG2-CZ 4.06Å; F627-F647 HydrophobicContact CD1-CE2 4.28Å; F627-F647 HydrophobicContact CE1-CD2 4.07Å; F627-F647 AromaticContact CE1-CE2 3.71Å; F627-F647 HydrophobicContact CE1-CE2 3.71Å; F627-F647 HydrophobicContact CE1-CZ 4.22Å; I639-F647 HydrophobicContact CG2-CE2 4.39Å; I642-F647 HydrophobicContact CD1-CB 4.05Å; I642-F647 HydrophobicContact CD1-CD2 4.14Å; I642-F647 HydrophobicContact CG1-CB 4.35Å; D643-F647 WeakPolarHBondContact O-CB 3.41Å; D643-F647 PolarHBondContact O-N 3.42Å; Q645-F647 VanDerWaalsContact C-N 3.27Å; Q645-F647 PolarHBondContact O-N 3.49Å; F647-L651 HydrophobicContact CE1-CD2 3.86Å; F647-L651 HydrophobicContact CZ-CD2 4.32Å; F647-L651 WeakPolarHBondContact O-CB 3.4Å; F647-L651 PolarHBondContact O-N 2.74Å |
| 648 | Y | 89.5 | Confident | 87 | Confident | 8 Ų | 8 | 69.3 Ų | 69.3 | 3% | 0.031 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -70.3 | -32.2 | -179 | -73.6 | -62 | 0 | 0 | 0 | 113.2 | D591 V592 R644 Q645 L651 R652 W669 E677 I679 | D591-Y648 PolarHBondContact OD1-OH 2.99Å; V592-Y648 HydrophobicContact CG2-CE1 4.11Å; R644-Y648 HydrophobicContact CG-CD2 4.09Å; R644-Y648 HydrophobicContact CG-CE2 3.89Å; R644-Y648 WeakPolarHBondContact O-CD2 3.48Å; R644-Y648 PolarHBondContact O-N 2.97Å; Q645-Y648 PolarHBondContact O-N 3.06Å; Y648-L651 HydrophobicContact CD1-CD2 4.34Å; Y648-R652 WeakPolarHBondContact O-CG 3.35Å; Y648-R652 PolarHBondContact O-N 3.3Å; Y648-W669 AromaticContact CD1-CZ3 3.99Å; Y648-W669 HydrophobicContact CD1-CZ3 3.99Å; Y648-W669 HydrophobicContact CE1-CZ3 4.19Å; Y648-E677 VanDerWaalsContact CE2-O 3.3Å; Y648-E677 WeakPolarHBondContact CE2-O 3.46Å; Y648-I679 HydrophobicContact CE1-CG1 4.21Å |
| 649 | D | 88.5 | Confident | 86 | Confident | 68 Ų | 68 | 65.8 Ų | 65.8 | 36% | 0.364 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.3 | -47.3 | 176.6 | -71.3 | -24.7 | 0 | 0 | 0 | 111.4 | Q645 Q646 L651 R652 S653 | Q645-D649 PolarHBondContact O-N 3.28Å; Q646-D649 PolarHBondContact O-N 3.31Å; D649-L651 PolarHBondContact O-N 3.41Å; D649-R652 PolarHBondContact O-N 3.36Å; D649-R652 IonicContact OD1-NH1 2.64Å; D649-S653 PolarHBondContact O-N 3.08Å; D649-S653 VanDerWaalsContact O-N 3.1Å; D649-S653 PolarHBondContact O-OG 2.79Å |
| 650 | H | 90.2 | Very high | 85.4 | Confident | 54 Ų | 54 | 65.9 Ų | 65.9 | 25% | 0.25 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.2 | -37.5 | 174.7 | -71.1 | 92.8 | 0 | 0 | 0 | 112.3 | F627 L631 Q646 R652 S653 F654 | F627-H650 HydrophobicContact CE2-CB 4.29Å; F627-H650 HydrophobicContact CZ-CB 4.06Å; L631-H650 HydrophobicContact CD2-CB 3.97Å; Q646-H650 WeakPolarHBondContact O-CB 3.45Å; Q646-H650 PolarHBondContact O-N 3.26Å; Q646-H650 PolarHBondContact O-ND1 3.36Å; H650-R652 VanDerWaalsContact C-N 3.31Å; H650-R652 PolarHBondContact O-N 2.66Å; H650-S653 WeakPolarHBondContact O-CB 3.31Å; H650-S653 PolarHBondContact O-N 2.94Å; H650-F654 WeakPolarHBondContact O-CB 3.46Å; H650-F654 PolarHBondContact O-N 2.81Å |
| 651 | L | 90.6 | Very high | 85 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63 | -38.7 | 176.8 | -175.8 | 62.6 | 0 | 0 | 0 | 111.6 | W623 F627 F647 Y648 D649 F654 F655 W669 I679 | W623-L651 HydrophobicContact CE3-CD1 3.77Å; W623-L651 HydrophobicContact CH2-CD2 4.24Å; W623-L651 HydrophobicContact CZ3-CD1 3.66Å; W623-L651 HydrophobicContact CZ3-CD2 3.88Å; W623-L651 HydrophobicContact CZ3-CG 4.45Å; F627-L651 HydrophobicContact CD1-CD1 4.08Å; F627-L651 HydrophobicContact CD2-CD1 3.96Å; F627-L651 HydrophobicContact CE1-CB 4.43Å; F627-L651 HydrophobicContact CE1-CD1 4.23Å; F627-L651 HydrophobicContact CE2-CB 4.27Å; F627-L651 HydrophobicContact CE2-CD1 4.13Å; F627-L651 HydrophobicContact CG-CD1 3.93Å; F627-L651 HydrophobicContact CZ-CB 3.99Å; F627-L651 HydrophobicContact CZ-CD1 4.25Å; F647-L651 HydrophobicContact CE1-CD2 3.86Å; F647-L651 HydrophobicContact CZ-CD2 4.32Å; F647-L651 WeakPolarHBondContact O-CB 3.4Å; F647-L651 PolarHBondContact O-N 2.74Å; Y648-L651 HydrophobicContact CD1-CD2 4.34Å; D649-L651 PolarHBondContact O-N 3.41Å; L651-F654 HydrophobicContact CD1-CD1 4.22Å; L651-F654 WeakPolarHBondContact O-CB 3.34Å; L651-F654 PolarHBondContact O-N 3.08Å; L651-F655 HydrophobicContact CD1-CD2 4.37Å; L651-F655 HydrophobicContact CD1-CE1 4.19Å; L651-F655 HydrophobicContact CD1-CE2 3.72Å; L651-F655 HydrophobicContact CD1-CZ 3.61Å; L651-F655 HydrophobicContact CD2-CE2 4Å; L651-F655 HydrophobicContact CD2-CZ 4.43Å; L651-F655 HydrophobicContact CG-CD2 4.1Å; L651-F655 HydrophobicContact CG-CE2 3.56Å; L651-F655 HydrophobicContact CG-CZ 4.01Å; L651-F655 WeakPolarHBondContact O-CD2 3.15Å; L651-F655 WeakPolarHBondContact O-CG 3.4Å; L651-F655 PolarHBondContact O-N 3.31Å; L651-W669 HydrophobicContact CD2-CH2 3.87Å; L651-W669 HydrophobicContact CD2-CZ3 4.5Å; L651-W669 HydrophobicContact CG-CH2 4.35Å; L651-I679 HydrophobicContact CD2-CD1 4.03Å |
| 652 | R | 86.3 | Confident | 84.6 | Confident | 81 Ų | 81 | 58.8 Ų | 58.8 | 31% | 0.306 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63 | -45.8 | 171.7 | -75.1 | 179.3 | -163.7 | 147.8 | 10.4 | 111.3 | Y648 D649 H650 F654 F655 H656 I676 | Y648-R652 WeakPolarHBondContact O-CG 3.35Å; Y648-R652 PolarHBondContact O-N 3.3Å; D649-R652 PolarHBondContact O-N 3.36Å; D649-R652 IonicContact OD1-NH1 2.64Å; H650-R652 VanDerWaalsContact C-N 3.31Å; H650-R652 PolarHBondContact O-N 2.66Å; R652-F654 VanDerWaalsContact C-N 3.27Å; R652-F654 PolarHBondContact O-N 3.28Å; R652-F655 PolarHBondContact O-N 3.11Å; R652-H656 PolarHBondContact O-N 2.81Å; R652-H656 PolarHBondContact O-ND1 2.96Å; R652-I676 PolarHBondContact NH2-O 2.9Å |
| 653 | S | 86.6 | Confident | 84.6 | Confident | 75 Ų | 75 | 59 Ų | 59 | 52% | 0.524 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -57.6 | -43.2 | 175.8 | -60.8 | 0 | 0 | 0 | 0 | 111.3 | D649 H650 F655 H656 L657 | D649-S653 PolarHBondContact O-N 3.08Å; D649-S653 VanDerWaalsContact O-N 3.1Å; D649-S653 PolarHBondContact O-OG 2.79Å; H650-S653 WeakPolarHBondContact O-CB 3.31Å; H650-S653 PolarHBondContact O-N 2.94Å; S653-F655 PolarHBondContact O-N 3.03Å; S653-H656 PolarHBondContact O-N 3.27Å; S653-H656 VanDerWaalsContact O-N 3.16Å; S653-L657 WeakPolarHBondContact O-CG 3.43Å; S653-L657 PolarHBondContact O-N 3.35Å |
| 654 | F | 88.6 | Confident | 84.5 | Confident | 3 Ų | 3 | 58 Ų | 58 | 1% | 0.013 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.8 | -45.5 | 175.4 | 174.4 | -105.9 | 0 | 0 | 0 | 112.6 | D626 F627 F630 H650 L651 R652 H656 L657 T660 Y663 | D626-F654 HydrophobicContact CB-CZ 4.1Å; F627-F654 HydrophobicContact CB-CD1 4.31Å; F627-F654 HydrophobicContact CB-CE1 4.13Å; F627-F654 HydrophobicContact CB-CZ 4.33Å; F627-F654 HydrophobicContact CD2-CB 3.75Å; F627-F654 AromaticContact CD2-CD1 3.91Å; F627-F654 HydrophobicContact CD2-CD1 3.91Å; F627-F654 HydrophobicContact CD2-CD2 4.1Å; F627-F654 AromaticContact CD2-CG 3.66Å; F627-F654 HydrophobicContact CD2-CG 3.66Å; F627-F654 HydrophobicContact CE2-CB 3.9Å; F627-F654 HydrophobicContact CE2-CG 4.33Å; F627-F654 HydrophobicContact CG-CD1 4.49Å; F630-F654 HydrophobicContact CB-CD2 3.95Å; F630-F654 HydrophobicContact CB-CE2 3.78Å; F630-F654 HydrophobicContact CD1-CB 4.49Å; F630-F654 AromaticContact CD1-CD2 3.68Å; F630-F654 HydrophobicContact CD1-CD2 3.68Å; F630-F654 HydrophobicContact CD1-CE2 4.39Å; F630-F654 HydrophobicContact CD1-CG 4.49Å; F630-F654 AromaticContact CD2-CD2 3.77Å; F630-F654 HydrophobicContact CD2-CD2 3.77Å; F630-F654 AromaticContact CD2-CE2 3.97Å; F630-F654 HydrophobicContact CD2-CE2 3.97Å; F630-F654 HydrophobicContact CE1-CB 4.43Å; F630-F654 HydrophobicContact CE1-CD2 4.12Å; F630-F654 HydrophobicContact CE2-CD2 4.2Å; F630-F654 AromaticContact CG-CD2 3.52Å; F630-F654 HydrophobicContact CG-CD2 3.52Å; F630-F654 AromaticContact CG-CE2 3.8Å; F630-F654 HydrophobicContact CG-CE2 3.8Å; F630-F654 HydrophobicContact CZ-CD2 4.38Å; H650-F654 WeakPolarHBondContact O-CB 3.46Å; H650-F654 PolarHBondContact O-N 2.81Å; L651-F654 HydrophobicContact CD1-CD1 4.22Å; L651-F654 WeakPolarHBondContact O-CB 3.34Å; L651-F654 PolarHBondContact O-N 3.08Å; R652-F654 VanDerWaalsContact C-N 3.27Å; R652-F654 PolarHBondContact O-N 3.28Å; F654-H656 VanDerWaalsContact C-N 3.29Å; F654-H656 PolarHBondContact O-N 3.34Å; F654-L657 PolarHBondContact O-N 3.17Å; F654-T660 HydrophobicContact CD2-CG2 4.2Å; F654-T660 HydrophobicContact CE1-CG2 4.25Å; F654-T660 HydrophobicContact CE2-CG2 3.44Å; F654-T660 VanDerWaalsContact CE2-CG2 3.44Å; F654-T660 HydrophobicContact CZ-CG2 3.47Å; F654-T660 VanDerWaalsContact CZ-CG2 3.47Å; F654-T660 WeakPolarHBondContact O-CB 3.37Å; F654-T660 PolarHBondContact O-OG1 3.3Å; F654-Y663 HydrophobicContact CE1-CD2 4.12Å; F654-Y663 HydrophobicContact CZ-CD2 4.28Å |
| 655 | F | 88.4 | Confident | 84.4 | Confident | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.009 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -69.4 | -20.8 | 176.5 | -67.4 | -34.1 | 0 | 0 | 0 | 114.2 | W623 L651 R652 S653 L657 K661 E664 V667 W669 | W623-F655 HydrophobicContact CB-CE1 4.01Å; W623-F655 HydrophobicContact CB-CZ 4.37Å; W623-F655 HydrophobicContact CD2-CE1 4.5Å; W623-F655 AromaticContact CD2-CZ 4Å; W623-F655 HydrophobicContact CD2-CZ 4Å; W623-F655 HydrophobicContact CE3-CE1 4.49Å; W623-F655 AromaticContact CE3-CZ 3.95Å; W623-F655 HydrophobicContact CE3-CZ 3.95Å; W623-F655 HydrophobicContact CG-CE1 4.32Å; W623-F655 HydrophobicContact CG-CZ 4.18Å; L651-F655 HydrophobicContact CD1-CD2 4.37Å; L651-F655 HydrophobicContact CD1-CE1 4.19Å; L651-F655 HydrophobicContact CD1-CE2 3.72Å; L651-F655 HydrophobicContact CD1-CZ 3.61Å; L651-F655 HydrophobicContact CD2-CE2 4Å; L651-F655 HydrophobicContact CD2-CZ 4.43Å; L651-F655 HydrophobicContact CG-CD2 4.1Å; L651-F655 HydrophobicContact CG-CE2 3.56Å; L651-F655 HydrophobicContact CG-CZ 4.01Å; L651-F655 WeakPolarHBondContact O-CD2 3.15Å; L651-F655 WeakPolarHBondContact O-CG 3.4Å; L651-F655 PolarHBondContact O-N 3.31Å; R652-F655 PolarHBondContact O-N 3.11Å; S653-F655 PolarHBondContact O-N 3.03Å; F655-L657 VanDerWaalsContact C-N 3.34Å; F655-K661 WeakPolarHBondContact O-CA 3.21Å; F655-K661 WeakPolarHBondContact O-CB 3.5Å; F655-K661 PolarHBondContact O-N 3.47Å; F655-E664 HydrophobicContact CB-CB 4.13Å; F655-E664 HydrophobicContact CB-CG 4.38Å; F655-E664 HydrophobicContact CG-CB 4.42Å; F655-V667 HydrophobicContact CE2-CG2 4.2Å; F655-V667 HydrophobicContact CZ-CG2 3.88Å; F655-W669 HydrophobicContact CD2-CH2 4.17Å; F655-W669 AromaticContact CD2-CZ2 3.66Å; F655-W669 HydrophobicContact CD2-CZ2 3.66Å; F655-W669 AromaticContact CE2-CH2 3.76Å; F655-W669 HydrophobicContact CE2-CH2 3.76Å; F655-W669 AromaticContact CE2-CZ2 3.46Å; F655-W669 HydrophobicContact CE2-CZ2 3.46Å; F655-W669 VanDerWaalsContact CE2-CZ2 3.46Å |
| 656 | H | 84.7 | Confident | 84.6 | Confident | 126 Ų | 126 | 47.3 Ų | 47.3 | 58% | 0.583 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -83.3 | -12 | 175.8 | -75.2 | 71 | 0 | 0 | 0 | 113.5 | R652 S653 F654 | R652-H656 PolarHBondContact O-N 2.81Å; R652-H656 PolarHBondContact O-ND1 2.96Å; S653-H656 PolarHBondContact O-N 3.27Å; S653-H656 VanDerWaalsContact O-N 3.16Å; F654-H656 VanDerWaalsContact C-N 3.29Å; F654-H656 PolarHBondContact O-N 3.34Å |
| 657 | L | 81.7 | Confident | 84.7 | Confident | 68 Ų | 68 | 44 Ų | 44 | 36% | 0.356 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -78.4 | 137.3 | 176.9 | -65.5 | 168.9 | 0 | 0 | 0 | 110.3 | F630 S653 F654 F655 T660 K661 | F630-L657 HydrophobicContact CE1-CD1 4.44Å; F630-L657 HydrophobicContact CE2-CD1 3.58Å; F630-L657 HydrophobicContact CZ-CD1 3.36Å; S653-L657 WeakPolarHBondContact O-CG 3.43Å; S653-L657 PolarHBondContact O-N 3.35Å; F654-L657 PolarHBondContact O-N 3.17Å; F655-L657 VanDerWaalsContact C-N 3.34Å; L657-T660 CarbonylContact O-C 3.53Å; L657-T660 PolarHBondContact O-N 2.88Å; L657-T660 VanDerWaalsContact O-N 3.1Å; L657-T660 PolarHBondContact O-OG1 3.39Å; L657-K661 PolarHBondContact O-N 3.16Å |
| 658 | F | 68.8 | Low | 84.6 | Confident | 172 Ų | 172 | 45.1 Ų | 45.1 | 75% | 0.754 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | 134 | 169 | 179.3 | -92.6 | 0 | 0 | 0 | 109.3 | Y190 | Y190-F658 VanDerWaalsContact CZ-O 3.24Å; Y190-F658 PolarHBondContact OH-O 2.86Å |
| 659 | P | 68 | Low | 84.4 | Confident | 42 Ų | 42 | 48.1 Ų | 48.1 | 27% | 0.273 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -96.7 | 2.5 | 5.1 | 38.1 | -33.7 | 0 | 0 | 0 | 115.3 | Y190 K661 A662 | Y190-P659 HydrophobicContact CD1-CG 3.76Å; Y190-P659 HydrophobicContact CD2-CG 3.7Å; Y190-P659 HydrophobicContact CE1-CG 4.33Å; Y190-P659 HydrophobicContact CE2-CG 4.26Å; Y190-P659 HydrophobicContact CG-CG 3.37Å; P659-K661 PolarHBondContact O-N 3.33Å; P659-A662 PolarHBondContact O-N 3.5Å |
| 660 | T | 76 | Confident | 84 | Confident | 10 Ų | 10 | 51 Ų | 51 | 6% | 0.061 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -62.1 | -12.4 | 179 | 47.2 | 0 | 0 | 0 | 0 | 113.3 | Y190 F654 L657 A662 Y663 | Y190-T660 HydrophobicContact CD1-CG2 4.08Å; Y190-T660 HydrophobicContact CE1-CG2 4.1Å; F654-T660 HydrophobicContact CD2-CG2 4.2Å; F654-T660 HydrophobicContact CE1-CG2 4.25Å; F654-T660 HydrophobicContact CE2-CG2 3.44Å; F654-T660 VanDerWaalsContact CE2-CG2 3.44Å; F654-T660 HydrophobicContact CZ-CG2 3.47Å; F654-T660 VanDerWaalsContact CZ-CG2 3.47Å; F654-T660 WeakPolarHBondContact O-CB 3.37Å; F654-T660 PolarHBondContact O-OG1 3.3Å; L657-T660 CarbonylContact O-C 3.53Å; L657-T660 PolarHBondContact O-N 2.88Å; L657-T660 VanDerWaalsContact O-N 3.1Å; L657-T660 PolarHBondContact O-OG1 3.39Å; T660-A662 PolarHBondContact O-N 3.45Å; T660-A662 VanDerWaalsContact O-N 3.15Å; T660-Y663 HydrophobicContact CG2-CD2 4.46Å; T660-Y663 VanDerWaalsContact O-CB 3.31Å; T660-Y663 WeakPolarHBondContact O-CB 3.26Å; T660-Y663 PolarHBondContact O-N 2.91Å |
| 661 | K | 77.7 | Confident | 83 | Confident | 63 Ų | 63 | 50.8 Ų | 50.8 | 27% | 0.274 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -51.8 | -25.5 | 164.9 | -161.7 | -179.7 | -172.5 | -169.3 | 0 | 115.2 | Y155 F655 L657 P659 Y663 E664 | Y155-K661 HydrophobicContact CD1-CD 4.41Å; Y155-K661 VanDerWaalsContact CD1-CE 3.43Å; Y155-K661 VanDerWaalsContact CD1-NZ 3.28Å; Y155-K661 HydrophobicContact CD2-CD 4.05Å; Y155-K661 HydrophobicContact CE1-CD 4.29Å; Y155-K661 VanDerWaalsContact CE1-CE 3.42Å; Y155-K661 HydrophobicContact CE1-CG 4.36Å; Y155-K661 HydrophobicContact CE2-CD 3.92Å; Y155-K661 HydrophobicContact CE2-CG 3.88Å; Y155-K661 HydrophobicContact CG-CD 4.28Å; Y155-K661 VanDerWaalsContact CG-NZ 3.34Å; Y155-K661 PolarHBondContact OH-O 3.22Å; F655-K661 WeakPolarHBondContact O-CA 3.21Å; F655-K661 WeakPolarHBondContact O-CB 3.5Å; F655-K661 PolarHBondContact O-N 3.47Å; L657-K661 PolarHBondContact O-N 3.16Å; P659-K661 PolarHBondContact O-N 3.33Å; K661-Y663 PolarHBondContact O-N 3.08Å; K661-E664 WeakPolarHBondContact O-CB 3.41Å; K661-E664 PolarHBondContact O-N 3.01Å |
| 662 | A | 80.1 | Confident | 81.4 | Confident | 40 Ų | 40 | 53.4 Ų | 53.4 | 33% | 0.331 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -61.9 | -33.6 | 172 | 0 | 0 | 0 | 0 | 0 | 112.2 | V93 P659 T660 E664 A665 | V93-A662 HydrophobicContact CG1-CB 4.12Å; P659-A662 PolarHBondContact O-N 3.5Å; T660-A662 PolarHBondContact O-N 3.45Å; T660-A662 VanDerWaalsContact O-N 3.15Å; A662-E664 VanDerWaalsContact C-N 3.27Å; A662-E664 PolarHBondContact O-N 3.16Å; A662-A665 PolarHBondContact O-N 2.68Å |
| 663 | Y | 88.1 | Confident | 80.2 | Confident | 22 Ų | 22 | 57.4 Ų | 57.4 | 9% | 0.086 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -71.8 | -18.9 | 179 | -67.6 | -48.1 | 0 | 0 | 0 | 113.9 | W623 D626 F654 T660 K661 A665 D666 | W623-Y663 HydrophobicContact CB-CD1 3.85Å; W623-Y663 HydrophobicContact CB-CD2 3.83Å; W623-Y663 HydrophobicContact CB-CE1 4.37Å; W623-Y663 HydrophobicContact CB-CE2 4.34Å; W623-Y663 HydrophobicContact CB-CG 3.55Å; D626-Y663 HydrophobicContact CB-CE2 4.21Å; D626-Y663 WeakPolarHBondContact OD2-CE2 3.24Å; D626-Y663 VanDerWaalsContact OD2-CZ 3.26Å; D626-Y663 PolarHBondContact OD2-OH 3.29Å; F654-Y663 HydrophobicContact CE1-CD2 4.12Å; F654-Y663 HydrophobicContact CZ-CD2 4.28Å; T660-Y663 HydrophobicContact CG2-CD2 4.46Å; T660-Y663 VanDerWaalsContact O-CB 3.31Å; T660-Y663 WeakPolarHBondContact O-CB 3.26Å; T660-Y663 PolarHBondContact O-N 2.91Å; K661-Y663 PolarHBondContact O-N 3.08Å; Y663-A665 PolarHBondContact O-N 2.75Å; Y663-D666 WeakPolarHBondContact O-CB 3.35Å; Y663-D666 PolarHBondContact O-N 2.95Å |
| 664 | E | 86.4 | Confident | 78.9 | Confident | 59 Ų | 59 | 57.8 Ų | 57.8 | 28% | 0.276 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -57.2 | -38.2 | 172.5 | -167.4 | 179.7 | -177.5 | 0 | 0 | 110.9 | F655 K661 A662 D666 V667 | F655-E664 HydrophobicContact CB-CB 4.13Å; F655-E664 HydrophobicContact CB-CG 4.38Å; F655-E664 HydrophobicContact CG-CB 4.42Å; K661-E664 WeakPolarHBondContact O-CB 3.41Å; K661-E664 PolarHBondContact O-N 3.01Å; A662-E664 VanDerWaalsContact C-N 3.27Å; A662-E664 PolarHBondContact O-N 3.16Å; E664-D666 PolarHBondContact O-N 2.91Å; E664-V667 PolarHBondContact O-N 3.15Å |
| 665 | A | 85.8 | Confident | 77.6 | Confident | 19 Ų | 19 | 61.6 Ų | 61.6 | 16% | 0.157 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -76.3 | -7.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | W85 V93 A662 Y663 R683 | W85-A665 PolarHBondContact NE1-O 2.79Å; V93-A665 HydrophobicContact CG2-CB 3.53Å; A662-A665 PolarHBondContact O-N 2.68Å; Y663-A665 PolarHBondContact O-N 2.75Å; A665-R683 PolarHBondContact O-NH2 3.43Å |
| 666 | D | 90.4 | Very high | 76.2 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.005 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -91.5 | -5.7 | 176.3 | -72.3 | -21.3 | 0 | 0 | 0 | 111.9 | R96 Y663 E664 F682 R683 | R96-D666 WeakPolarHBondContact CD-OD1 3.41Å; R96-D666 IonicContact CZ-OD2 3.44Å; R96-D666 IonicContact NE-OD1 3.54Å; R96-D666 PolarHBondContact NE-OD1 3.5Å; R96-D666 IonicContact NE-OD2 3.71Å; R96-D666 PolarHBondContact NE-OD2 2.83Å; R96-D666 VanDerWaalsContact NE-OD2 3.07Å; R96-D666 IonicContact NH2-OD2 2.81Å; Y663-D666 WeakPolarHBondContact O-CB 3.35Å; Y663-D666 PolarHBondContact O-N 2.95Å; E664-D666 PolarHBondContact O-N 2.91Å; D666-F682 CarbonylContact O-C 3.59Å; D666-F682 WeakPolarHBondContact O-CA 3.19Å; D666-R683 HydrophobicContact CB-CG 3.92Å; D666-R683 PolarHBondContact O-N 2.67Å; D666-R683 IonicContact OD1-CZ 3.93Å; D666-R683 IonicContact OD1-NE 3.68Å; D666-R683 PolarHBondContact OD1-NE 2.84Å; D666-R683 IonicContact OD1-NH2 2.61Å; D666-R683 PolarHBondContact OD1-NH2 2.83Å |
| 667 | V | 91.6 | Very high | 75.5 | Confident | 9 Ų | 9 | 63 Ų | 63 | 6% | 0.055 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 134.1 | -173.7 | -179.2 | 0 | 0 | 0 | 0 | 111.2 | W623 F655 E664 W669 I679 F682 | W623-V667 HydrophobicContact CD2-CG2 4.45Å; W623-V667 HydrophobicContact CG-CG2 4.43Å; F655-V667 HydrophobicContact CE2-CG2 4.2Å; F655-V667 HydrophobicContact CZ-CG2 3.88Å; E664-V667 PolarHBondContact O-N 3.15Å; V667-W669 HydrophobicContact CB-CZ2 4.33Å; V667-W669 HydrophobicContact CG1-CD2 4.08Å; V667-W669 HydrophobicContact CG1-CE3 4.47Å; V667-W669 HydrophobicContact CG1-CH2 4.17Å; V667-W669 HydrophobicContact CG1-CZ2 3.73Å; V667-I679 HydrophobicContact CG1-CB 4.22Å; V667-I679 HydrophobicContact CG1-CD1 3.72Å; V667-I679 HydrophobicContact CG1-CG1 3.62Å; V667-I679 HydrophobicContact CG1-CG2 3.69Å; V667-F682 HydrophobicContact CG2-CB 4.15Å |
| 668 | T | 89.1 | Confident | 75.6 | Confident | 25 Ų | 25 | 62.9 Ų | 62.9 | 15% | 0.153 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 138.9 | 169.7 | 68.3 | 0 | 0 | 0 | 0 | 110.7 | W85 I679 T680 A681 | W85-T668 HydrophobicContact CZ2-CG2 4.36Å; T668-I679 WeakPolarHBondContact O-CA 3.4Å; T668-T680 PolarHBondContact O-N 2.88Å; T668-T680 PolarHBondContact O-OG1 3Å; T668-T680 VanDerWaalsContact O-OG1 3.1Å; T668-T680 PolarHBondContact OG1-OG1 3.16Å; T668-A681 PolarHBondContact N-O 3.36Å; T668-A681 WeakPolarHBondContact OG1-CB 3.48Å; T668-A681 PolarHBondContact OG1-N 3.41Å; T668-A681 VanDerWaalsContact OG1-N 3.08Å; T668-A681 PolarHBondContact OG1-O 3.33Å |
| 669 | W | 85.8 | Confident | 76.5 | Confident | 72 Ų | 72 | 54.8 Ų | 54.8 | 27% | 0.273 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 147.8 | -172.9 | -55.9 | 95.9 | 0 | 0 | 0 | 111.5 | Y648 L651 F655 V667 I676 I679 | Y648-W669 AromaticContact CD1-CZ3 3.99Å; Y648-W669 HydrophobicContact CD1-CZ3 3.99Å; Y648-W669 HydrophobicContact CE1-CZ3 4.19Å; L651-W669 HydrophobicContact CD2-CH2 3.87Å; L651-W669 HydrophobicContact CD2-CZ3 4.5Å; L651-W669 HydrophobicContact CG-CH2 4.35Å; F655-W669 HydrophobicContact CD2-CH2 4.17Å; F655-W669 AromaticContact CD2-CZ2 3.66Å; F655-W669 HydrophobicContact CD2-CZ2 3.66Å; F655-W669 AromaticContact CE2-CH2 3.76Å; F655-W669 HydrophobicContact CE2-CH2 3.76Å; F655-W669 AromaticContact CE2-CZ2 3.46Å; F655-W669 HydrophobicContact CE2-CZ2 3.46Å; F655-W669 VanDerWaalsContact CE2-CZ2 3.46Å; V667-W669 HydrophobicContact CB-CZ2 4.33Å; V667-W669 HydrophobicContact CG1-CD2 4.08Å; V667-W669 HydrophobicContact CG1-CE3 4.47Å; V667-W669 HydrophobicContact CG1-CH2 4.17Å; V667-W669 HydrophobicContact CG1-CZ2 3.73Å; W669-I676 HydrophobicContact CB-CG2 3.89Å; W669-I676 HydrophobicContact CD2-CG2 3.98Å; W669-I676 HydrophobicContact CE3-CG2 3.55Å; W669-I676 HydrophobicContact CG-CG2 4.16Å; W669-I676 HydrophobicContact CZ3-CG2 4.36Å; W669-I679 HydrophobicContact CE3-CG1 3.8Å; W669-I679 HydrophobicContact CH2-CD1 4.22Å; W669-I679 HydrophobicContact CH2-CG1 3.99Å; W669-I679 HydrophobicContact CZ3-CD1 4.14Å; W669-I679 HydrophobicContact CZ3-CG1 3.46Å; W669-I679 VanDerWaalsContact CZ3-CG1 3.46Å |
| 670 | K | 79.8 | Confident | 77.6 | Confident | 129 Ų | 129 | 55.3 Ų | 55.3 | 56% | 0.561 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 123.6 | 164.4 | -175.1 | 175.3 | -177.4 | -176.6 | 0 | 110.4 | E677 Q678 T680 | K670-E677 PolarHBondContact O-N 3.38Å; K670-Q678 PolarHBondContact N-O 2.71Å; K670-T680 HydrophobicContact CB-CG2 3.47Å; K670-T680 VanDerWaalsContact CB-CG2 3.47Å; K670-T680 HydrophobicContact CD-CG2 4.13Å; K670-T680 HydrophobicContact CG-CG2 4.41Å |
| 671 | G | 68.8 | Low | 78.4 | Confident | 48 Ų | 48 | 54.9 Ų | 54.9 | 50% | 0.495 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 136.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | T675 | G671-T675 WeakPolarHBondContact CA-O 3.22Å |
| 672 | V | 57.8 | Low | 79.2 | Confident | 56 Ų | 56 | 51.9 Ų | 51.9 | 34% | 0.339 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 125.8 | 166.9 | -177.7 | 0 | 0 | 0 | 0 | 106.5 | G674 T675 | V672-G674 PolarHBondContact O-N 3.13Å; V672-G674 VanDerWaalsContact O-N 3.07Å; V672-T675 PolarHBondContact N-O 2.74Å; V672-T675 PolarHBondContact O-N 3.48Å; V672-T675 VanDerWaalsContact O-N 3.09Å; V672-T675 PolarHBondContact O-OG1 3.04Å; V672-T675 VanDerWaalsContact O-OG1 3.05Å |
| 673 | N | 60.6 | Low | 79.9 | Confident | 165 Ų | 165 | 50.8 Ų | 50.8 | 88% | 0.882 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 33.9 | 176.7 | -61.7 | -22.1 | 0 | 0 | 0 | 115.8 | ||
| 674 | G | 58 | Low | 80.2 | Confident | 82 Ų | 82 | 49.8 Ų | 49.8 | 85% | 0.845 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.8 | -7.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | V672 | V672-G674 PolarHBondContact O-N 3.13Å; V672-G674 VanDerWaalsContact O-N 3.07Å |
| 675 | T | 61.1 | Low | 80.6 | Confident | 84 Ų | 84 | 47.1 Ų | 47.1 | 52% | 0.515 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 123.9 | 170 | 44.9 | 0 | 0 | 0 | 0 | 110 | G671 V672 E677 | G671-T675 WeakPolarHBondContact CA-O 3.22Å; V672-T675 PolarHBondContact N-O 2.74Å; V672-T675 PolarHBondContact O-N 3.48Å; V672-T675 VanDerWaalsContact O-N 3.09Å; V672-T675 PolarHBondContact O-OG1 3.04Å; V672-T675 VanDerWaalsContact O-OG1 3.05Å; T675-E677 PolarHBondContact O-N 3.28Å |
| 676 | I | 60.9 | Low | 81 | Confident | 72 Ų | 72 | 46.3 Ų | 46.3 | 37% | 0.369 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 115.8 | 172 | -62.4 | 164.5 | 0 | 0 | 0 | 107.8 | R652 W669 | R652-I676 PolarHBondContact NH2-O 2.9Å; W669-I676 HydrophobicContact CB-CG2 3.89Å; W669-I676 HydrophobicContact CD2-CG2 3.98Å; W669-I676 HydrophobicContact CE3-CG2 3.55Å; W669-I676 HydrophobicContact CG-CG2 4.16Å; W669-I676 HydrophobicContact CZ3-CG2 4.36Å |
| 677 | E | 69.8 | Low | 81.2 | Confident | 85 Ų | 85 | 46.2 Ų | 46.2 | 40% | 0.397 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | -23.8 | -169.7 | -72.7 | -175.7 | 169.9 | 0 | 0 | 114.4 | R644 Y648 K670 T675 | R644-E677 PolarHBondContact NH2-O 2.94Å; Y648-E677 VanDerWaalsContact CE2-O 3.3Å; Y648-E677 WeakPolarHBondContact CE2-O 3.46Å; K670-E677 PolarHBondContact O-N 3.38Å; T675-E677 PolarHBondContact O-N 3.28Å |
| 678 | Q | 82.4 | Confident | 81.4 | Confident | 66 Ų | 66 | 45.8 Ų | 45.8 | 31% | 0.308 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163 | 150.8 | -170.5 | -160.7 | 172.8 | -14.2 | 0 | 0 | 113.3 | G590 K670 | G590-Q678 PolarHBondContact O-NE2 3.2Å; K670-Q678 PolarHBondContact N-O 2.71Å |
| 679 | I | 89.5 | Confident | 81.5 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 125.3 | 167.4 | -63.6 | 177.6 | 0 | 0 | 0 | 109.2 | P589 V592 W623 Y648 L651 V667 T668 W669 A681 F682 | P589-I679 HydrophobicContact CG-CG2 4.15Å; V592-I679 HydrophobicContact CG2-CD1 3.83Å; V592-I679 HydrophobicContact CG2-CG1 4.36Å; W623-I679 HydrophobicContact CH2-CD1 3.61Å; W623-I679 HydrophobicContact CZ2-CD1 3.65Å; Y648-I679 HydrophobicContact CE1-CG1 4.21Å; L651-I679 HydrophobicContact CD2-CD1 4.03Å; V667-I679 HydrophobicContact CG1-CB 4.22Å; V667-I679 HydrophobicContact CG1-CD1 3.72Å; V667-I679 HydrophobicContact CG1-CG1 3.62Å; V667-I679 HydrophobicContact CG1-CG2 3.69Å; T668-I679 WeakPolarHBondContact O-CA 3.4Å; W669-I679 HydrophobicContact CE3-CG1 3.8Å; W669-I679 HydrophobicContact CH2-CD1 4.22Å; W669-I679 HydrophobicContact CH2-CG1 3.99Å; W669-I679 HydrophobicContact CZ3-CD1 4.14Å; W669-I679 HydrophobicContact CZ3-CG1 3.46Å; W669-I679 VanDerWaalsContact CZ3-CG1 3.46Å; I679-A681 WeakPolarHBondContact CG2-O 3.39Å; I679-F682 HydrophobicContact CG2-CB 4.41Å; I679-F682 HydrophobicContact CG2-CD1 4.21Å |
| 680 | T | 89.8 | Confident | 81.8 | Confident | 53 Ų | 53 | 47.5 Ų | 47.5 | 33% | 0.325 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | -38.2 | 176.8 | 37.3 | 0 | 0 | 0 | 0 | 113.2 | N587 P589 T668 K670 | N587-T680 VanDerWaalsContact O-O 3.07Å; P589-T680 WeakPolarHBondContact CD-O 3.43Å; T668-T680 PolarHBondContact O-N 2.88Å; T668-T680 PolarHBondContact O-OG1 3Å; T668-T680 VanDerWaalsContact O-OG1 3.1Å; T668-T680 PolarHBondContact OG1-OG1 3.16Å; K670-T680 HydrophobicContact CB-CG2 3.47Å; K670-T680 VanDerWaalsContact CB-CG2 3.47Å; K670-T680 HydrophobicContact CD-CG2 4.13Å; K670-T680 HydrophobicContact CG-CG2 4.41Å |
| 681 | A | 93.5 | Very high | 82.4 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.008 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 154.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | W85 F586 T668 I679 | W85-A681 HydrophobicContact CH2-CB 4.29Å; W85-A681 HydrophobicContact CZ2-CB 4.35Å; F586-A681 WeakPolarHBondContact O-CA 3.37Å; F586-A681 WeakPolarHBondContact O-CB 3.17Å; T668-A681 PolarHBondContact N-O 3.36Å; T668-A681 WeakPolarHBondContact OG1-CB 3.48Å; T668-A681 PolarHBondContact OG1-N 3.41Å; T668-A681 VanDerWaalsContact OG1-N 3.08Å; T668-A681 PolarHBondContact OG1-O 3.33Å; I679-A681 WeakPolarHBondContact CG2-O 3.39Å |
| 682 | F | 95.2 | Very high | 83.3 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 160.3 | 167.8 | 65.3 | -101.3 | 0 | 0 | 0 | 110 | W85 A585 F586 P589 V592 I601 F622 W623 D666 V667 I679 L684 | W85-F682 VanDerWaalsContact CZ2-C 3.47Å; A585-F682 CarbonylContact C-O 3.58Å; A585-F682 WeakPolarHBondContact CA-O 3.23Å; F586-F682 HydrophobicContact CB-CD1 4.22Å; F586-F682 HydrophobicContact CB-CD2 4.17Å; F586-F682 HydrophobicContact CB-CE1 3.85Å; F586-F682 HydrophobicContact CB-CE2 3.74Å; F586-F682 HydrophobicContact CB-CG 4.37Å; F586-F682 HydrophobicContact CB-CZ 3.56Å; F586-F682 HydrophobicContact CD1-CE2 4.28Å; F586-F682 AromaticContact CD1-CZ 3.81Å; F586-F682 HydrophobicContact CD1-CZ 3.81Å; F586-F682 HydrophobicContact CD2-CD2 4.17Å; F586-F682 AromaticContact CD2-CE2 3.39Å; F586-F682 HydrophobicContact CD2-CE2 3.39Å; F586-F682 AromaticContact CD2-CZ 3.79Å; F586-F682 HydrophobicContact CD2-CZ 3.79Å; F586-F682 HydrophobicContact CE1-CZ 4.47Å; F586-F682 HydrophobicContact CE2-CE2 4.1Å; F586-F682 HydrophobicContact CE2-CZ 4.5Å; F586-F682 HydrophobicContact CG-CD2 4.36Å; F586-F682 HydrophobicContact CG-CE1 4.2Å; F586-F682 AromaticContact CG-CE2 3.53Å; F586-F682 HydrophobicContact CG-CE2 3.53Å; F586-F682 AromaticContact CG-CZ 3.42Å; F586-F682 HydrophobicContact CG-CZ 3.42Å; F586-F682 VanDerWaalsContact CG-CZ 3.42Å; F586-F682 PolarHBondContact N-O 3.33Å; F586-F682 PolarHBondContact O-N 2.9Å; F586-F682 VanDerWaalsContact O-N 3.12Å; P589-F682 HydrophobicContact CB-CD1 3.77Å; P589-F682 HydrophobicContact CB-CE1 3.31Å; P589-F682 HydrophobicContact CB-CZ 4.31Å; P589-F682 HydrophobicContact CG-CD1 3.91Å; P589-F682 HydrophobicContact CG-CE1 4Å; V592-F682 HydrophobicContact CG1-CE1 4.43Å; I601-F682 HydrophobicContact CD1-CE1 4.09Å; I601-F682 HydrophobicContact CD1-CZ 4.26Å; I601-F682 HydrophobicContact CG2-CZ 3.74Å; F622-F682 HydrophobicContact CD2-CE2 4.41Å; F622-F682 AromaticContact CE2-CD2 3.89Å; F622-F682 HydrophobicContact CE2-CD2 3.89Å; F622-F682 AromaticContact CE2-CE2 3.5Å; F622-F682 HydrophobicContact CE2-CE2 3.5Å; F622-F682 HydrophobicContact CE2-CZ 4.06Å; F622-F682 AromaticContact CZ-CE2 3.93Å; F622-F682 HydrophobicContact CZ-CE2 3.93Å; F622-F682 HydrophobicContact CZ-CZ 4.09Å; W623-F682 HydrophobicContact CZ2-CD1 4.17Å; W623-F682 HydrophobicContact CZ2-CG 4.37Å; W623-F682 AromaticContact NE1-CD2 3.89Å; W623-F682 AromaticContact NE1-CG 3.74Å; D666-F682 CarbonylContact O-C 3.59Å; D666-F682 WeakPolarHBondContact O-CA 3.19Å; V667-F682 HydrophobicContact CG2-CB 4.15Å; I679-F682 HydrophobicContact CG2-CB 4.41Å; I679-F682 HydrophobicContact CG2-CD1 4.21Å; F682-L684 HydrophobicContact CE2-CD2 4.01Å |
| 683 | R | 94.5 | Very high | 84.6 | Confident | 16 Ų | 16 | 42.1 Ų | 42.1 | 6% | 0.06 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 159.5 | 169.9 | 64.6 | 175.5 | -179.5 | -167.2 | -14.1 | 111.4 | F81 W85 R96 V584 A665 D666 | F81-R683 HydrophobicContact CE1-CB 4.3Å; W85-R683 HydrophobicContact CD2-CG 4.31Å; W85-R683 HydrophobicContact CH2-CB 3.85Å; W85-R683 HydrophobicContact CH2-CG 4.43Å; W85-R683 HydrophobicContact CZ2-CB 3.87Å; W85-R683 HydrophobicContact CZ2-CG 4.02Å; W85-R683 HydrophobicContact CZ3-CB 4.21Å; R96-R683 PolarHBondContact O-NH1 3.41Å; V584-R683 CarbonylContact O-C 3.58Å; V584-R683 VanDerWaalsContact O-CA 3.23Å; V584-R683 WeakPolarHBondContact O-CA 3.23Å; A665-R683 PolarHBondContact O-NH2 3.43Å; D666-R683 HydrophobicContact CB-CG 3.92Å; D666-R683 PolarHBondContact O-N 2.67Å; D666-R683 IonicContact OD1-CZ 3.93Å; D666-R683 IonicContact OD1-NE 3.68Å; D666-R683 PolarHBondContact OD1-NE 2.84Å; D666-R683 IonicContact OD1-NH2 2.61Å; D666-R683 PolarHBondContact OD1-NH2 2.83Å |
| 684 | L | 94.7 | Very high | 85.7 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 167.2 | 170.9 | 69.5 | 115.4 | 0 | 0 | 0 | 110.1 | Q583 V584 F586 V605 L620 Q621 F622 F682 V686 | Q583-L684 WeakPolarHBondContact CA-O 3.33Å; V584-L684 HydrophobicContact CB-CD2 4.43Å; V584-L684 HydrophobicContact CB-CG 4.12Å; V584-L684 PolarHBondContact N-O 3.1Å; V584-L684 PolarHBondContact O-N 3.23Å; F586-L684 HydrophobicContact CD2-CD2 3.84Å; F586-L684 HydrophobicContact CE2-CD2 3.37Å; F586-L684 HydrophobicContact CZ-CD2 4.3Å; V605-L684 HydrophobicContact CG1-CD1 4.23Å; V605-L684 HydrophobicContact CG2-CD2 3.74Å; L620-L684 HydrophobicContact CD2-CD1 3.95Å; Q621-L684 WeakPolarHBondContact O-CB 3.29Å; F622-L684 HydrophobicContact CB-CB 4.08Å; F622-L684 HydrophobicContact CD2-CB 3.93Å; F622-L684 HydrophobicContact CD2-CD2 4.27Å; F622-L684 HydrophobicContact CG-CB 4.23Å; F682-L684 HydrophobicContact CE2-CD2 4.01Å; L684-V686 HydrophobicContact CD1-CG2 3.56Å |
| 685 | M | 94 | Very high | 87 | Confident | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.02 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 134.3 | 174.5 | -72.3 | -66 | -126 | 0 | 0 | 111.5 | G95 R96 P581 I582 Q583 L620 Q621 | G95-M685 WeakPolarHBondContact O-CE 3.2Å; R96-M685 VanDerWaalsContact NH1-CG 3.28Å; P581-M685 HydrophobicContact CB-CB 4.21Å; P581-M685 HydrophobicContact CB-CE 3.65Å; P581-M685 HydrophobicContact CB-CG 4.39Å; P581-M685 HydrophobicContact CB-SD 3.93Å; P581-M685 HydrophobicContact CG-CE 3.73Å; I582-M685 VanDerWaalsContact C-SD 3.57Å; I582-M685 WeakPolarHBondContact O-CA 3.34Å; Q583-M685 HydrophobicContact CB-SD 4.03Å; Q583-M685 HydrophobicContact CG-CE 3.62Å; Q583-M685 HydrophobicContact CG-SD 3.16Å; Q583-M685 WeakPolarHBondContact CG-SD 3.45Å; L620-M685 CarbonylContact C-O 3.4Å; L620-M685 WeakPolarHBondContact CA-O 3.42Å; Q621-M685 HydrophobicContact CB-CB 4.05Å; Q621-M685 HydrophobicContact CG-CB 4.23Å; Q621-M685 PolarHBondContact N-O 3.01Å; Q621-M685 PolarHBondContact O-N 3.43Å; Q621-M685 VanDerWaalsContact O-N 3.12Å |
| 686 | V | 95 | Very high | 88.4 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 116 | 175 | -173.6 | 0 | 0 | 0 | 0 | 108.6 | P581 I582 V584 F608 L620 L684 F704 | P581-V686 CarbonylContact C-O 3.58Å; P581-V686 WeakPolarHBondContact CA-O 3.38Å; I582-V686 PolarHBondContact N-O 3.08Å; I582-V686 PolarHBondContact O-N 3.44Å; V584-V686 HydrophobicContact CG2-CG2 3.75Å; F608-V686 HydrophobicContact CB-CG1 4.43Å; F608-V686 HydrophobicContact CB-CG2 4.07Å; L620-V686 HydrophobicContact CD2-CB 4.34Å; L620-V686 HydrophobicContact CD2-CG1 4.23Å; L620-V686 HydrophobicContact CD2-CG2 3.81Å; L684-V686 HydrophobicContact CD1-CG2 3.56Å; V686-F704 HydrophobicContact CB-CE1 4.16Å; V686-F704 HydrophobicContact CB-CZ 4.19Å; V686-F704 HydrophobicContact CG1-CE1 4.37Å; V686-F704 HydrophobicContact CG1-CZ 3.94Å; V686-F704 HydrophobicContact CG2-CE1 4.45Å |
| 687 | G | 94.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 129.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y193 M580 I615 G619 | Y193-G687 WeakPolarHBondContact OH-CA 3.17Å; M580-G687 CarbonylContact O-C 3.56Å; M580-G687 WeakPolarHBondContact O-CA 3.24Å; I615-G687 WeakPolarHBondContact CB-O 3.38Å; I615-G687 WeakPolarHBondContact CG1-O 3.08Å; I615-G687 PolarHBondContact N-O 3.29Å; G619-G687 PolarHBondContact O-N 3.28Å |
| 688 | V | 94.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 158 | 175.4 | -59.2 | 0 | 0 | 0 | 0 | 112.3 | G579 M580 I582 H613 I615 F691 T700 F704 | G579-V688 PolarHBondContact N-O 3.05Å; M580-V688 HydrophobicContact CB-CG2 4Å; M580-V688 HydrophobicContact CG-CG2 4.41Å; M580-V688 PolarHBondContact N-O 3.44Å; M580-V688 VanDerWaalsContact O-CG2 3.29Å; M580-V688 WeakPolarHBondContact O-CG2 3.38Å; M580-V688 PolarHBondContact O-N 3.48Å; I582-V688 HydrophobicContact CD1-CB 4.43Å; I582-V688 HydrophobicContact CD1-CG1 3.62Å; I582-V688 HydrophobicContact CD1-CG2 3.96Å; I582-V688 HydrophobicContact CG1-CG1 4.07Å; I582-V688 HydrophobicContact CG1-CG2 4.12Å; H613-V688 CarbonylContact O-C 3.51Å; H613-V688 WeakPolarHBondContact O-CA 3.22Å; H613-V688 VanDerWaalsContact O-CB 3.28Å; H613-V688 WeakPolarHBondContact O-CB 3.39Å; I615-V688 VanDerWaalsContact CD1-O 3.3Å; I615-V688 WeakPolarHBondContact CD1-O 3.28Å; V688-F691 HydrophobicContact CG2-CB 4.43Å; V688-F691 HydrophobicContact CG2-CD2 4.34Å; V688-T700 HydrophobicContact CG1-CG2 4.23Å; V688-F704 HydrophobicContact CG1-CE2 3.97Å; V688-F704 HydrophobicContact CG1-CZ 3.69Å |
| 689 | K | 92.4 | Very high | 91.3 | Very high | 66 Ų | 66 | 29.8 Ų | 29.8 | 29% | 0.287 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 166.5 | 176.6 | 63.4 | -177.8 | -176.6 | -151.6 | 0 | 109.9 | Y578 P612 H613 G614 I615 F691 | Y578-K689 HydrophobicContact CD2-CB 3.64Å; Y578-K689 HydrophobicContact CE2-CB 4.2Å; Y578-K689 HydrophobicContact CG-CB 4.32Å; P612-K689 WeakPolarHBondContact O-CE 3.44Å; P612-K689 PolarHBondContact O-NZ 3.47Å; H613-K689 WeakPolarHBondContact O-CG 3.48Å; H613-K689 PolarHBondContact O-N 3.08Å; G614-K689 WeakPolarHBondContact O-CE 3.1Å; G614-K689 PolarHBondContact O-NZ 3.47Å; I615-K689 HydrophobicContact CG1-CB 4.02Å; I615-K689 HydrophobicContact CG1-CG 4.47Å; K689-F691 VanDerWaalsContact C-N 3.3Å; K689-F691 PolarHBondContact O-N 2.97Å |
| 690 | D | 91.4 | Very high | 91.6 | Very high | 67 Ų | 67 | 29.7 Ų | 29.7 | 36% | 0.358 | 16% | 0.155 | S | C | . | . | trans | 57.5 | 37.1 | 172.8 | -61.5 | -47.8 | 0 | 0 | 0 | 113.6 | S577 M692 Q696 | S577-D690 PolarHBondContact O-N 3.3Å; D690-M692 VanDerWaalsContact C-N 3.34Å; D690-M692 PolarHBondContact O-N 2.97Å; D690-Q696 WeakPolarHBondContact O-CB 3.37Å; D690-Q696 VanDerWaalsContact O-CG 3.31Å; D690-Q696 WeakPolarHBondContact O-CG 3.47Å; D690-Q696 PolarHBondContact O-NE2 3.44Å; D690-Q696 PolarHBondContact O-OE1 3.33Å | ||
| 691 | F | 91.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -94 | 27 | -177.6 | -162.3 | -98.7 | 0 | 0 | 0 | 113.3 | W576 M580 V688 K689 Q697 T700 M722 W723 I726 | W576-F691 HydrophobicContact CG-CD1 4.46Å; W576-F691 CarbonylContact O-C 3.59Å; W576-F691 WeakPolarHBondContact O-CA 3.37Å; W576-F691 WeakPolarHBondContact O-CB 2.97Å; W576-F691 PolarHBondContact O-N 3Å; M580-F691 HydrophobicContact CE-CD1 3.28Å; M580-F691 HydrophobicContact CE-CE1 3.66Å; M580-F691 HydrophobicContact CE-CG 4.19Å; M580-F691 HydrophobicContact SD-CD1 3.35Å; M580-F691 WeakPolarHBondContact SD-CD1 3.42Å; M580-F691 HydrophobicContact SD-CE1 3.44Å; M580-F691 WeakPolarHBondContact SD-CE1 3.26Å; M580-F691 HydrophobicContact SD-CG 3.92Å; M580-F691 HydrophobicContact SD-CZ 4.09Å; V688-F691 HydrophobicContact CG2-CB 4.43Å; V688-F691 HydrophobicContact CG2-CD2 4.34Å; K689-F691 VanDerWaalsContact C-N 3.3Å; K689-F691 PolarHBondContact O-N 2.97Å; F691-Q697 HydrophobicContact CD1-CG 3.72Å; F691-Q697 HydrophobicContact CD2-CB 4.41Å; F691-Q697 HydrophobicContact CD2-CG 3.91Å; F691-Q697 HydrophobicContact CE1-CB 4.48Å; F691-Q697 HydrophobicContact CE1-CG 3.62Å; F691-Q697 HydrophobicContact CE2-CB 4.01Å; F691-Q697 HydrophobicContact CE2-CG 3.8Å; F691-Q697 HydrophobicContact CG-CG 3.88Å; F691-Q697 HydrophobicContact CZ-CB 4.06Å; F691-Q697 HydrophobicContact CZ-CG 3.66Å; F691-Q697 PolarHBondContact O-NE2 3.31Å; F691-T700 HydrophobicContact CD2-CG2 4.2Å; F691-T700 HydrophobicContact CE2-CG2 4.17Å; F691-M722 HydrophobicContact CE1-CB 4.15Å; F691-M722 HydrophobicContact CE1-CG 4.11Å; F691-M722 HydrophobicContact CZ-CB 4.21Å; F691-W723 HydrophobicContact CE2-CH2 4.45Å; F691-W723 AromaticContact CE2-CZ3 3.94Å; F691-W723 HydrophobicContact CE2-CZ3 3.94Å; F691-W723 HydrophobicContact CZ-CZ3 4.02Å; F691-I726 HydrophobicContact CE2-CD1 4.43Å; F691-I726 HydrophobicContact CZ-CD1 3.77Å | ||
| 692 | M | 87.8 | Confident | 91.9 | Very high | 59 Ų | 59 | 30.4 Ų | 30.4 | 29% | 0.291 | 16% | 0.157 | S | C | . | . | trans | -85.6 | -30.8 | -167.4 | -65.3 | -179.7 | -73.1 | 0 | 0 | 114.3 | Q572 W576 D690 | Q572-M692 HydrophobicContact CG-CB 4.46Å; Q572-M692 PolarHBondContact NE2-O 2.97Å; W576-M692 HydrophobicContact CB-CG 4.18Å; D690-M692 VanDerWaalsContact C-N 3.34Å; D690-M692 PolarHBondContact O-N 2.97Å | ||
| 693 | T | 85.9 | Confident | 91.9 | Very high | 61 Ų | 61 | 32.4 Ų | 32.4 | 37% | 0.374 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -112.2 | 151.2 | -174.5 | 64.2 | 0 | 0 | 0 | 0 | 111 | L695 Q696 Q697 | T693-L695 PolarHBondContact O-N 3.4Å; T693-L695 VanDerWaalsContact O-N 3.16Å; T693-Q696 VanDerWaalsContact N-OE1 3.14Å; T693-Q696 PolarHBondContact O-N 3.46Å; T693-Q696 VanDerWaalsContact O-N 3.09Å; T693-Q696 VanDerWaalsContact OG1-CD 3.23Å; T693-Q696 VanDerWaalsContact OG1-CG 3.24Å; T693-Q696 WeakPolarHBondContact OG1-CG 3.4Å; T693-Q696 PolarHBondContact OG1-N 2.97Å; T693-Q696 PolarHBondContact OG1-OE1 3.44Å; T693-Q697 VanDerWaalsContact O-CG 3.25Å; T693-Q697 WeakPolarHBondContact O-CG 3.45Å; T693-Q697 PolarHBondContact O-N 2.88Å |
| 694 | A | 83.2 | Confident | 92 | Very high | 22 Ų | 22 | 31.7 Ų | 31.7 | 18% | 0.182 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -51.7 | -38.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q697 M698 Y729 | A694-Q697 PolarHBondContact O-N 3.17Å; A694-M698 WeakPolarHBondContact O-CB 3.25Å; A694-M698 PolarHBondContact O-N 3.45Å; A694-Y729 HydrophobicContact CB-CD2 3.92Å; A694-Y729 HydrophobicContact CB-CE2 3.47Å; A694-Y729 VanDerWaalsContact CB-CE2 3.47Å |
| 695 | L | 85.1 | Confident | 92.1 | Very high | 116 Ų | 116 | 33.4 Ų | 33.4 | 61% | 0.607 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -63.6 | -49.9 | 177.2 | -179.5 | 65.5 | 0 | 0 | 0 | 111.8 | T693 Q697 M698 E699 | T693-L695 PolarHBondContact O-N 3.4Å; T693-L695 VanDerWaalsContact O-N 3.16Å; L695-Q697 VanDerWaalsContact C-N 3.27Å; L695-Q697 PolarHBondContact O-N 3.29Å; L695-M698 WeakPolarHBondContact O-CB 3.38Å; L695-M698 PolarHBondContact O-N 2.96Å; L695-E699 WeakPolarHBondContact O-CG 3.15Å; L695-E699 PolarHBondContact O-N 2.86Å |
| 696 | Q | 90 | Very high | 92.2 | Very high | 42 Ų | 42 | 36 Ų | 36 | 20% | 0.196 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.7 | -34.7 | -179.7 | -65.5 | 164.4 | -45.2 | 0 | 0 | 112.1 | D690 T693 E699 T700 | D690-Q696 WeakPolarHBondContact O-CB 3.37Å; D690-Q696 VanDerWaalsContact O-CG 3.31Å; D690-Q696 WeakPolarHBondContact O-CG 3.47Å; D690-Q696 PolarHBondContact O-NE2 3.44Å; D690-Q696 PolarHBondContact O-OE1 3.33Å; T693-Q696 VanDerWaalsContact N-OE1 3.14Å; T693-Q696 PolarHBondContact O-N 3.46Å; T693-Q696 VanDerWaalsContact O-N 3.09Å; T693-Q696 VanDerWaalsContact OG1-CD 3.23Å; T693-Q696 VanDerWaalsContact OG1-CG 3.24Å; T693-Q696 WeakPolarHBondContact OG1-CG 3.4Å; T693-Q696 PolarHBondContact OG1-N 2.97Å; T693-Q696 PolarHBondContact OG1-OE1 3.44Å; Q696-E699 PolarHBondContact O-N 3.43Å; Q696-T700 WeakPolarHBondContact O-CB 3.37Å; Q696-T700 PolarHBondContact O-N 3.26Å; Q696-T700 PolarHBondContact O-OG1 2.91Å |
| 697 | Q | 91.6 | Very high | 92.3 | Very high | 5 Ų | 5 | 36.6 Ų | 36.6 | 2% | 0.023 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.5 | -43.6 | 174.4 | -71.8 | 179.2 | -3.4 | 0 | 0 | 111.7 | F691 T693 A694 L695 T700 L701 I726 | F691-Q697 HydrophobicContact CD1-CG 3.72Å; F691-Q697 HydrophobicContact CD2-CB 4.41Å; F691-Q697 HydrophobicContact CD2-CG 3.91Å; F691-Q697 HydrophobicContact CE1-CB 4.48Å; F691-Q697 HydrophobicContact CE1-CG 3.62Å; F691-Q697 HydrophobicContact CE2-CB 4.01Å; F691-Q697 HydrophobicContact CE2-CG 3.8Å; F691-Q697 HydrophobicContact CG-CG 3.88Å; F691-Q697 HydrophobicContact CZ-CB 4.06Å; F691-Q697 HydrophobicContact CZ-CG 3.66Å; F691-Q697 PolarHBondContact O-NE2 3.31Å; T693-Q697 VanDerWaalsContact O-CG 3.25Å; T693-Q697 WeakPolarHBondContact O-CG 3.45Å; T693-Q697 PolarHBondContact O-N 2.88Å; A694-Q697 PolarHBondContact O-N 3.17Å; L695-Q697 VanDerWaalsContact C-N 3.27Å; L695-Q697 PolarHBondContact O-N 3.29Å; Q697-T700 PolarHBondContact O-N 3.42Å; Q697-L701 PolarHBondContact O-N 3.12Å; Q697-I726 HydrophobicContact CB-CD1 3.61Å; Q697-I726 HydrophobicContact CB-CG1 3.89Å; Q697-I726 HydrophobicContact CG-CD1 4.29Å |
| 698 | M | 89.7 | Confident | 92.4 | Very high | 26 Ų | 26 | 37.2 Ų | 37.2 | 13% | 0.128 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.6 | -43.6 | 174.8 | -177.7 | 60.4 | 73.7 | 0 | 0 | 112.4 | A694 L695 T700 L701 N702 I726 Y729 E730 | A694-M698 WeakPolarHBondContact O-CB 3.25Å; A694-M698 PolarHBondContact O-N 3.45Å; L695-M698 WeakPolarHBondContact O-CB 3.38Å; L695-M698 PolarHBondContact O-N 2.96Å; M698-T700 VanDerWaalsContact C-N 3.35Å; M698-T700 PolarHBondContact O-N 3.37Å; M698-L701 WeakPolarHBondContact O-CB 3.31Å; M698-L701 PolarHBondContact O-N 2.86Å; M698-L701 HydrophobicContact SD-CD2 4.14Å; M698-N702 WeakPolarHBondContact O-CB 3.21Å; M698-N702 PolarHBondContact O-N 3.09Å; M698-N702 PolarHBondContact O-ND2 2.98Å; M698-I726 HydrophobicContact CB-CG2 4.12Å; M698-I726 HydrophobicContact CE-CG2 3.72Å; M698-I726 WeakPolarHBondContact CE-O 3.12Å; M698-I726 HydrophobicContact SD-CG2 3.91Å; M698-Y729 HydrophobicContact CE-CD2 4.4Å; M698-Y729 HydrophobicContact CE-CG 4.44Å; M698-E730 HydrophobicContact CE-CB 3.88Å |
| 699 | E | 92.8 | Very high | 92.5 | Very high | 84 Ų | 84 | 40.8 Ų | 40.8 | 39% | 0.393 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.7 | -46.3 | 174.7 | -72.5 | 174.6 | 174 | 0 | 0 | 111.1 | H613 L695 Q696 L701 N702 D703 | H613-E699 IonicContact CE1-OE2 3.96Å; H613-E699 PolarHBondContact CE1-OE2 3.23Å; H613-E699 WeakPolarHBondContact NE2-CB 3.25Å; H613-E699 IonicContact NE2-OE2 3.86Å; H613-E699 PolarHBondContact NE2-OE2 3Å; L695-E699 WeakPolarHBondContact O-CG 3.15Å; L695-E699 PolarHBondContact O-N 2.86Å; Q696-E699 PolarHBondContact O-N 3.43Å; E699-L701 VanDerWaalsContact C-N 3.29Å; E699-L701 PolarHBondContact O-N 2.85Å; E699-N702 PolarHBondContact O-N 3.43Å; E699-D703 WeakPolarHBondContact O-CB 3.39Å; E699-D703 PolarHBondContact O-N 3.14Å |
| 700 | T | 95.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.9 | -41.4 | 176.5 | -54.2 | 0 | 0 | 0 | 0 | 111.4 | I582 H613 V688 F691 Q696 Q697 M698 F704 W723 | I582-T700 HydrophobicContact CD1-CG2 3.64Å; H613-T700 HydrophobicContact CB-CG2 4.16Å; H613-T700 WeakPolarHBondContact CB-OG1 3.46Å; H613-T700 PolarHBondContact CD2-OG1 2.95Å; H613-T700 VanDerWaalsContact CG-OG1 3.24Å; V688-T700 HydrophobicContact CG1-CG2 4.23Å; F691-T700 HydrophobicContact CD2-CG2 4.2Å; F691-T700 HydrophobicContact CE2-CG2 4.17Å; Q696-T700 WeakPolarHBondContact O-CB 3.37Å; Q696-T700 PolarHBondContact O-N 3.26Å; Q696-T700 PolarHBondContact O-OG1 2.91Å; Q697-T700 PolarHBondContact O-N 3.42Å; M698-T700 VanDerWaalsContact C-N 3.35Å; M698-T700 PolarHBondContact O-N 3.37Å; T700-F704 HydrophobicContact CG2-CD2 3.98Å; T700-F704 HydrophobicContact CG2-CE2 3.96Å; T700-F704 WeakPolarHBondContact O-CB 3.26Å; T700-F704 WeakPolarHBondContact O-CD2 3.18Å; T700-F704 PolarHBondContact O-N 3.32Å; T700-W723 HydrophobicContact CG2-CH2 4.16Å |
| 701 | L | 95 | Very high | 92.9 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.4 | -51.1 | 176.6 | 174.6 | 67 | 0 | 0 | 0 | 112.4 | Q697 M698 E699 F704 R705 W723 I726 D727 | Q697-L701 PolarHBondContact O-N 3.12Å; M698-L701 WeakPolarHBondContact O-CB 3.31Å; M698-L701 PolarHBondContact O-N 2.86Å; M698-L701 HydrophobicContact SD-CD2 4.14Å; E699-L701 VanDerWaalsContact C-N 3.29Å; E699-L701 PolarHBondContact O-N 2.85Å; L701-F704 PolarHBondContact O-N 3.48Å; L701-R705 HydrophobicContact CD1-CG 4.32Å; L701-R705 VanDerWaalsContact CD1-CZ 3.48Å; L701-R705 WeakPolarHBondContact O-CB 3.39Å; L701-R705 WeakPolarHBondContact O-CG 3.17Å; L701-R705 PolarHBondContact O-N 3.47Å; L701-W723 HydrophobicContact CB-CE3 4.2Å; L701-W723 HydrophobicContact CB-CH2 3.44Å; L701-W723 VanDerWaalsContact CB-CH2 3.44Å; L701-W723 HydrophobicContact CB-CZ2 3.82Å; L701-W723 HydrophobicContact CB-CZ3 3.62Å; L701-W723 HydrophobicContact CD1-CD2 3.33Å; L701-W723 HydrophobicContact CD1-CE3 3.81Å; L701-W723 HydrophobicContact CD1-CG 3.79Å; L701-W723 HydrophobicContact CD1-CH2 3.8Å; L701-W723 HydrophobicContact CD1-CZ2 3.34Å; L701-W723 HydrophobicContact CD1-CZ3 4Å; L701-W723 VanDerWaalsContact CD1-NE1 3.32Å; L701-W723 HydrophobicContact CG-CD2 4.44Å; L701-W723 HydrophobicContact CG-CH2 4.25Å; L701-W723 HydrophobicContact CG-CZ2 4.2Å; L701-W723 HydrophobicContact CG-CZ3 4.38Å; L701-W723 VanDerWaalsContact N-CH2 3.27Å; L701-I726 HydrophobicContact CB-CG2 4.09Å; L701-I726 HydrophobicContact CD2-CB 4.12Å; L701-I726 HydrophobicContact CD2-CG2 3.48Å; L701-I726 VanDerWaalsContact CD2-CG2 3.48Å; L701-I726 HydrophobicContact CG-CG2 4.42Å; L701-D727 WeakPolarHBondContact CD2-OD1 3.42Å |
| 702 | N | 94.7 | Very high | 93 | Very high | 69 Ų | 69 | 45.6 Ų | 45.6 | 37% | 0.369 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.9 | -40.4 | -177.7 | -70.5 | -29.6 | 0 | 0 | 0 | 111.3 | M698 E699 R705 S706 | M698-N702 WeakPolarHBondContact O-CB 3.21Å; M698-N702 PolarHBondContact O-N 3.09Å; M698-N702 PolarHBondContact O-ND2 2.98Å; E699-N702 PolarHBondContact O-N 3.43Å; N702-R705 PolarHBondContact O-N 3.34Å; N702-S706 WeakPolarHBondContact O-CB 3.26Å; N702-S706 PolarHBondContact O-N 2.96Å; N702-S706 PolarHBondContact O-OG 2.82Å |
| 703 | D | 95.9 | Very high | 93.2 | Very high | 42 Ų | 42 | 46.5 Ų | 46.5 | 23% | 0.225 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.6 | -51.4 | 175 | -73.5 | -16.1 | 0 | 0 | 0 | 110.6 | P612 H613 E699 R705 S706 I707 | P612-D703 WeakPolarHBondContact CD-OD2 3.29Å; P612-D703 WeakPolarHBondContact CG-OD2 3.29Å; H613-D703 IonicContact CD2-OD2 3.31Å; E699-D703 WeakPolarHBondContact O-CB 3.39Å; E699-D703 PolarHBondContact O-N 3.14Å; D703-R705 PolarHBondContact O-N 3.27Å; D703-S706 PolarHBondContact O-N 3.28Å; D703-S706 PolarHBondContact O-OG 3.18Å; D703-I707 WeakPolarHBondContact O-CD1 3.45Å; D703-I707 VanDerWaalsContact O-CG1 3.23Å; D703-I707 WeakPolarHBondContact O-CG1 3.48Å; D703-I707 PolarHBondContact O-N 3.03Å |
| 704 | F | 97.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.3 | -43.6 | -179.1 | -88.2 | -120.4 | 0 | 0 | 0 | 112.2 | I582 V584 F608 V686 V688 T700 L701 I707 A708 T718 W723 | I582-F704 HydrophobicContact CB-CE1 3.93Å; I582-F704 HydrophobicContact CB-CZ 4.47Å; I582-F704 HydrophobicContact CD1-CD1 4.4Å; I582-F704 HydrophobicContact CD1-CE1 4.04Å; I582-F704 HydrophobicContact CD1-CE2 4.33Å; I582-F704 HydrophobicContact CD1-CZ 4Å; I582-F704 HydrophobicContact CG2-CD1 3.88Å; I582-F704 HydrophobicContact CG2-CE1 3.75Å; V584-F704 HydrophobicContact CG2-CD1 4.28Å; V584-F704 HydrophobicContact CG2-CE1 4.09Å; F608-F704 HydrophobicContact CD1-CB 4.49Å; F608-F704 AromaticContact CD1-CD1 3.63Å; F608-F704 HydrophobicContact CD1-CD1 3.63Å; F608-F704 AromaticContact CD1-CE1 3.88Å; F608-F704 HydrophobicContact CD1-CE1 3.88Å; F608-F704 AromaticContact CD1-CG 3.97Å; F608-F704 HydrophobicContact CD1-CG 3.97Å; F608-F704 HydrophobicContact CD1-CZ 4.43Å; F608-F704 HydrophobicContact CE1-CB 4.25Å; F608-F704 AromaticContact CE1-CD1 3.96Å; F608-F704 HydrophobicContact CE1-CD1 3.96Å; F608-F704 HydrophobicContact CE1-CG 4.2Å; F608-F704 WeakPolarHBondContact CE1-O 3.21Å; V686-F704 HydrophobicContact CB-CE1 4.16Å; V686-F704 HydrophobicContact CB-CZ 4.19Å; V686-F704 HydrophobicContact CG1-CE1 4.37Å; V686-F704 HydrophobicContact CG1-CZ 3.94Å; V686-F704 HydrophobicContact CG2-CE1 4.45Å; V688-F704 HydrophobicContact CG1-CE2 3.97Å; V688-F704 HydrophobicContact CG1-CZ 3.69Å; T700-F704 HydrophobicContact CG2-CD2 3.98Å; T700-F704 HydrophobicContact CG2-CE2 3.96Å; T700-F704 WeakPolarHBondContact O-CB 3.26Å; T700-F704 WeakPolarHBondContact O-CD2 3.18Å; T700-F704 PolarHBondContact O-N 3.32Å; L701-F704 PolarHBondContact O-N 3.48Å; F704-I707 PolarHBondContact O-N 2.9Å; F704-A708 WeakPolarHBondContact O-CB 3.41Å; F704-A708 PolarHBondContact O-N 2.58Å; F704-T718 HydrophobicContact CB-CG2 4.14Å; F704-T718 HydrophobicContact CD1-CG2 3.96Å; F704-W723 HydrophobicContact CB-CZ2 4.42Å |
| 705 | R | 96 | Very high | 94.2 | Very high | 38 Ų | 38 | 47.2 Ų | 47.2 | 14% | 0.143 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.7 | -38.8 | 175.5 | -75.1 | -179.1 | 170.9 | 155.8 | 6.7 | 112 | E77 L701 N702 D703 A708 A709 D727 | E77-R705 IonicContact OE1-CZ 3.04Å; E77-R705 IonicContact OE1-NE 3.81Å; E77-R705 PolarHBondContact OE1-NE 3.01Å; E77-R705 IonicContact OE1-NH2 3.86Å; E77-R705 IonicContact OE2-CZ 2.6Å; E77-R705 IonicContact OE2-NE 2.77Å; E77-R705 IonicContact OE2-NH2 2.77Å; E77-R705 PolarHBondContact OE2-NH2 3.11Å; L701-R705 HydrophobicContact CD1-CG 4.32Å; L701-R705 VanDerWaalsContact CD1-CZ 3.48Å; L701-R705 WeakPolarHBondContact O-CB 3.39Å; L701-R705 WeakPolarHBondContact O-CG 3.17Å; L701-R705 PolarHBondContact O-N 3.47Å; N702-R705 PolarHBondContact O-N 3.34Å; D703-R705 PolarHBondContact O-N 3.27Å; R705-A708 PolarHBondContact O-N 3.15Å; R705-A709 WeakPolarHBondContact O-CB 3.47Å; R705-A709 PolarHBondContact O-N 2.92Å; R705-D727 IonicContact CZ-OD1 3.18Å; R705-D727 VanDerWaalsContact CZ-OD1 3.23Å; R705-D727 IonicContact NH1-OD1 3.07Å; R705-D727 PolarHBondContact NH1-OD1 3.14Å; R705-D727 IonicContact NH1-OD2 3.63Å; R705-D727 IonicContact NH2-OD1 2.66Å; R705-D727 PolarHBondContact NH2-OD1 2.97Å; R705-D727 IonicContact NH2-OD2 3.94Å; R705-D727 PolarHBondContact NH2-OD2 3.03Å |
| 706 | S | 96.5 | Very high | 94.7 | Very high | 58 Ų | 58 | 42.4 Ų | 42.4 | 41% | 0.406 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.6 | -37.8 | 177.9 | 78.4 | 0 | 0 | 0 | 0 | 112.3 | N702 D703 A709 Q710 | N702-S706 WeakPolarHBondContact O-CB 3.26Å; N702-S706 PolarHBondContact O-N 2.96Å; N702-S706 PolarHBondContact O-OG 2.82Å; D703-S706 PolarHBondContact O-N 3.28Å; D703-S706 PolarHBondContact O-OG 3.18Å; S706-A709 PolarHBondContact O-N 3.38Å; S706-Q710 WeakPolarHBondContact O-CG 3.31Å; S706-Q710 PolarHBondContact O-N 3.5Å; S706-Q710 PolarHBondContact O-NE2 3.43Å |
| 707 | I | 97 | Very high | 95 | Very high | 14 Ų | 14 | 40.9 Ų | 40.9 | 7% | 0.072 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.7 | -46.8 | 174.4 | -66.6 | 162.3 | 0 | 0 | 0 | 109.6 | A607 F608 D703 F704 A709 Q710 Y711 | A607-I707 HydrophobicContact CB-CG2 3.76Å; A607-I707 WeakPolarHBondContact O-CD1 3.44Å; F608-I707 HydrophobicContact CD1-CB 4.16Å; F608-I707 HydrophobicContact CD1-CD1 4.26Å; F608-I707 HydrophobicContact CD1-CG2 3.89Å; F608-I707 HydrophobicContact CD2-CG2 3.99Å; F608-I707 HydrophobicContact CE1-CB 3.79Å; F608-I707 HydrophobicContact CE1-CG2 3.68Å; F608-I707 HydrophobicContact CE2-CG2 3.76Å; F608-I707 HydrophobicContact CG-CG2 4.04Å; F608-I707 HydrophobicContact CZ-CB 4.06Å; F608-I707 HydrophobicContact CZ-CG2 3.6Å; D703-I707 WeakPolarHBondContact O-CD1 3.45Å; D703-I707 VanDerWaalsContact O-CG1 3.23Å; D703-I707 WeakPolarHBondContact O-CG1 3.48Å; D703-I707 PolarHBondContact O-N 3.03Å; F704-I707 PolarHBondContact O-N 2.9Å; I707-A709 PolarHBondContact O-N 2.84Å; I707-Q710 WeakPolarHBondContact O-CB 3.47Å; I707-Q710 PolarHBondContact O-N 3.09Å; I707-Y711 HydrophobicContact CG2-CE2 4.46Å; I707-Y711 WeakPolarHBondContact O-CD2 3.37Å |
| 708 | A | 96.5 | Very high | 95.2 | Very high | 13 Ų | 13 | 40.7 Ų | 40.7 | 11% | 0.107 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56 | -39.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F608 F704 R705 Q710 Y711 I716 | F608-A708 HydrophobicContact CZ-CB 4.11Å; F704-A708 WeakPolarHBondContact O-CB 3.41Å; F704-A708 PolarHBondContact O-N 2.58Å; R705-A708 PolarHBondContact O-N 3.15Å; A708-Q710 VanDerWaalsContact C-N 3.27Å; A708-Q710 PolarHBondContact O-N 2.72Å; A708-Y711 PolarHBondContact O-N 3.46Å; A708-I716 HydrophobicContact CB-CB 3.96Å; A708-I716 HydrophobicContact CB-CG2 4.05Å |
| 709 | A | 96 | Very high | 95.4 | Very high | 74 Ų | 74 | 39.9 Ų | 39.9 | 61% | 0.612 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -67 | -20.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | R705 S706 I707 Y711 | R705-A709 WeakPolarHBondContact O-CB 3.47Å; R705-A709 PolarHBondContact O-N 2.92Å; S706-A709 PolarHBondContact O-N 3.38Å; I707-A709 PolarHBondContact O-N 2.84Å; A709-Y711 VanDerWaalsContact C-N 3.26Å; A709-Y711 PolarHBondContact O-N 3.24Å |
| 710 | Q | 96.4 | Very high | 95.4 | Very high | 117 Ų | 117 | 36.8 Ų | 36.8 | 55% | 0.547 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -14.8 | 176.5 | -68 | 170.5 | 43.6 | 0 | 0 | 113.2 | S706 I707 A708 P712 | S706-Q710 WeakPolarHBondContact O-CG 3.31Å; S706-Q710 PolarHBondContact O-N 3.5Å; S706-Q710 PolarHBondContact O-NE2 3.43Å; I707-Q710 WeakPolarHBondContact O-CB 3.47Å; I707-Q710 PolarHBondContact O-N 3.09Å; A708-Q710 VanDerWaalsContact C-N 3.27Å; A708-Q710 PolarHBondContact O-N 2.72Å; Q710-P712 WeakPolarHBondContact O-CD 3.44Å |
| 711 | Y | 96.3 | Very high | 95.1 | Very high | 12 Ų | 12 | 41 Ų | 41 | 5% | 0.047 | 23% | 0.231 | C | C | . | . | trans | -122.2 | 62.7 | -178.9 | -58.6 | -93.4 | 0 | 0 | 0 | 111.2 | R600 D603 A604 I707 A708 A709 D713 L714 I716 | R600-Y711 HydrophobicContact CG-CD1 4.47Å; R600-Y711 VanDerWaalsContact CZ-CE1 3.42Å; D603-Y711 PolarHBondContact OD2-OH 3.47Å; A604-Y711 HydrophobicContact CB-CD1 3.85Å; A604-Y711 HydrophobicContact CB-CD2 3.91Å; A604-Y711 HydrophobicContact CB-CE1 3.77Å; A604-Y711 HydrophobicContact CB-CE2 3.85Å; A604-Y711 HydrophobicContact CB-CG 3.94Å; I707-Y711 HydrophobicContact CG2-CE2 4.46Å; I707-Y711 WeakPolarHBondContact O-CD2 3.37Å; A708-Y711 PolarHBondContact O-N 3.46Å; A709-Y711 VanDerWaalsContact C-N 3.26Å; A709-Y711 PolarHBondContact O-N 3.24Å; Y711-D713 PolarHBondContact O-N 2.85Å; Y711-L714 HydrophobicContact CD1-CD1 4.2Å; Y711-L714 HydrophobicContact CG-CD1 4.42Å; Y711-L714 PolarHBondContact O-N 3.25Å; Y711-L714 VanDerWaalsContact O-N 3.14Å; Y711-I716 HydrophobicContact CD2-CD1 4.44Å; Y711-I716 HydrophobicContact CG-CD1 4.34Å | ||
| 712 | P | 93.8 | Very high | 94.8 | Very high | 105 Ų | 105 | 41.7 Ų | 41.7 | 68% | 0.682 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -24.9 | -175.2 | 27.8 | -36.1 | 0 | 0 | 0 | 113.4 | Q710 L714 | Q710-P712 WeakPolarHBondContact O-CD 3.44Å; P712-L714 VanDerWaalsContact C-N 3.31Å; P712-L714 PolarHBondContact O-N 3.02Å |
| 713 | D | 92.8 | Very high | 94.7 | Very high | 79 Ų | 79 | 38.4 Ų | 38.4 | 42% | 0.422 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -32.1 | 176.5 | 54.2 | -55.4 | 0 | 0 | 0 | 113 | N588 Y711 | N588-D713 PolarHBondContact ND2-O 3.07Å; Y711-D713 PolarHBondContact O-N 2.85Å |
| 714 | L | 94.4 | Very high | 94.5 | Very high | 6 Ų | 6 | 36.4 Ų | 36.4 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -11.8 | -176.4 | -60.3 | -178 | 0 | 0 | 0 | 113.7 | F586 N587 N588 R600 I601 A604 Y711 P712 I716 | F586-L714 HydrophobicContact CD1-CB 4.16Å; F586-L714 HydrophobicContact CD1-CD1 4.02Å; F586-L714 HydrophobicContact CE1-CD1 3.78Å; N587-L714 PolarHBondContact N-O 2.77Å; N588-L714 PolarHBondContact N-O 3.39Å; N588-L714 VanDerWaalsContact N-O 3.1Å; N588-L714 WeakPolarHBondContact O-CA 3.29Å; R600-L714 HydrophobicContact CG-CD1 4.33Å; I601-L714 HydrophobicContact CG1-CD1 4.48Å; I601-L714 HydrophobicContact CG1-CD2 4.47Å; A604-L714 HydrophobicContact CB-CD1 4.24Å; Y711-L714 HydrophobicContact CD1-CD1 4.2Å; Y711-L714 HydrophobicContact CG-CD1 4.42Å; Y711-L714 PolarHBondContact O-N 3.25Å; Y711-L714 VanDerWaalsContact O-N 3.14Å; P712-L714 VanDerWaalsContact C-N 3.31Å; P712-L714 PolarHBondContact O-N 3.02Å; L714-I716 HydrophobicContact CB-CD1 4.13Å; L714-I716 HydrophobicContact CB-CG1 3.75Å; L714-I716 HydrophobicContact CD1-CD1 4.26Å; L714-I716 PolarHBondContact O-N 3.41Å |
| 715 | N | 94.9 | Very high | 94.1 | Very high | 91 Ų | 91 | 37.2 Ų | 37.2 | 49% | 0.487 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.5 | 61.7 | -176.8 | -172.2 | 22.5 | 0 | 0 | 0 | 112.1 | N587 N588 | N587-N715 HydrophobicContact CB-CB 4.22Å; N587-N715 WeakPolarHBondContact CB-O 3.3Å; N587-N715 PolarHBondContact N-O 3.04Å; N587-N715 PolarHBondContact ND2-O 3.16Å; N588-N715 HydrophobicContact CB-CB 4.15Å |
| 716 | I | 96.9 | Very high | 93.8 | Very high | 16 Ų | 16 | 35.4 Ų | 35.4 | 8% | 0.082 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 136.4 | -174.2 | -54.2 | 178.6 | 0 | 0 | 0 | 110.2 | V584 A585 F586 A604 F608 A708 Y711 L714 | V584-I716 HydrophobicContact CG1-CG2 3.5Å; A585-I716 CarbonylContact O-C 3.54Å; A585-I716 VanDerWaalsContact O-CA 3.29Å; A585-I716 WeakPolarHBondContact O-CA 3.32Å; F586-I716 HydrophobicContact CD1-CD1 4.17Å; F586-I716 HydrophobicContact CD1-CG1 4.06Å; F586-I716 HydrophobicContact CE1-CD1 3.6Å; F586-I716 HydrophobicContact CE1-CG1 4.01Å; F586-I716 HydrophobicContact CE2-CG2 4.5Å; F586-I716 HydrophobicContact CG-CG1 4.47Å; F586-I716 HydrophobicContact CZ-CD1 3.8Å; F586-I716 HydrophobicContact CZ-CG1 4.34Å; A604-I716 HydrophobicContact CB-CD1 4.16Å; F608-I716 HydrophobicContact CE2-CD1 4.07Å; F608-I716 HydrophobicContact CE2-CG2 4Å; F608-I716 HydrophobicContact CZ-CG2 3.81Å; A708-I716 HydrophobicContact CB-CB 3.96Å; A708-I716 HydrophobicContact CB-CG2 4.05Å; Y711-I716 HydrophobicContact CD2-CD1 4.44Å; Y711-I716 HydrophobicContact CG-CD1 4.34Å; L714-I716 HydrophobicContact CB-CD1 4.13Å; L714-I716 HydrophobicContact CB-CG1 3.75Å; L714-I716 HydrophobicContact CD1-CD1 4.26Å; L714-I716 PolarHBondContact O-N 3.41Å |
| 717 | T | 96 | Very high | 93.6 | Very high | 10 Ų | 10 | 32.8 Ų | 32.8 | 6% | 0.061 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 132.3 | 175 | -57.3 | 0 | 0 | 0 | 0 | 109.5 | E77 I80 F81 A585 N587 | E77-T717 HydrophobicContact CB-CG2 3.8Å; E77-T717 HydrophobicContact CG-CG2 3.85Å; I80-T717 HydrophobicContact CD1-CG2 4.16Å; F81-T717 HydrophobicContact CD2-CG2 4.27Å; F81-T717 HydrophobicContact CE2-CG2 4.01Å; A585-T717 PolarHBondContact N-O 3.49Å; A585-T717 PolarHBondContact O-N 3.03Å; N587-T717 PolarHBondContact ND2-OG1 3.22Å |
| 718 | T | 95.5 | Very high | 93.2 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 142.5 | 179.5 | 63.4 | 0 | 0 | 0 | 0 | 110 | Q583 V584 F608 F704 W723 | Q583-T718 CarbonylContact O-C 3.48Å; Q583-T718 WeakPolarHBondContact O-CA 3.27Å; V584-T718 HydrophobicContact CG1-CG2 4.18Å; V584-T718 HydrophobicContact CG2-CG2 4.09Å; F608-T718 HydrophobicContact CE1-CG2 3.82Å; F608-T718 HydrophobicContact CZ-CG2 4.15Å; F704-T718 HydrophobicContact CB-CG2 4.14Å; F704-T718 HydrophobicContact CD1-CG2 3.96Å; T718-W723 PolarHBondContact O-NE1 3.14Å |
| 719 | Y | 94.6 | Very high | 92.7 | Very high | 9 Ų | 9 | 31.8 Ų | 31.8 | 4% | 0.035 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 139.8 | 179.1 | -174.4 | -100.6 | 0 | 0 | 0 | 113 | E77 R78 F81 L98 Q583 | E77-Y719 HydrophobicContact CB-CD2 4.18Å; R78-Y719 HydrophobicContact CB-CD2 4.11Å; R78-Y719 HydrophobicContact CB-CE2 3.45Å; R78-Y719 VanDerWaalsContact CB-CE2 3.45Å; R78-Y719 WeakPolarHBondContact CD-OH 3.29Å; R78-Y719 HydrophobicContact CG-CE1 4.45Å; R78-Y719 HydrophobicContact CG-CE2 3.98Å; R78-Y719 WeakPolarHBondContact CG-OH 3.46Å; F81-Y719 VanDerWaalsContact CD2-CB 3.48Å; F81-Y719 HydrophobicContact CD2-CG 4.21Å; F81-Y719 HydrophobicContact CE2-CG 4.49Å; L98-Y719 HydrophobicContact CD2-CD1 3.54Å; L98-Y719 HydrophobicContact CD2-CE1 4.1Å; L98-Y719 HydrophobicContact CD2-CG 4.42Å; Q583-Y719 PolarHBondContact N-O 3.37Å; Q583-Y719 PolarHBondContact O-N 2.88Å |
| 720 | N | 92.9 | Very high | 92 | Very high | 18 Ų | 18 | 33.3 Ų | 33.3 | 10% | 0.096 | 17% | 0.171 | C | C | . | . | trans | -138.2 | 153.8 | 167.2 | -178.9 | -87.3 | 0 | 0 | 0 | 108.4 | I582 M722 W723 | I582-N720 HydrophobicContact CG1-CB 4.41Å; N720-M722 PolarHBondContact O-N 2.9Å; N720-M722 VanDerWaalsContact O-N 3.15Å; N720-M722 WeakPolarHBondContact OD1-CB 3.48Å; N720-M722 PolarHBondContact OD1-N 3.4Å; N720-W723 HydrophobicContact CB-CD2 4.17Å; N720-W723 HydrophobicContact CB-CE3 4.19Å; N720-W723 WeakPolarHBondContact O-CB 3.26Å; N720-W723 PolarHBondContact O-N 3.15Å | ||
| 721 | E | 87.4 | Confident | 91.6 | Very high | 90 Ų | 90 | 29.6 Ų | 29.6 | 42% | 0.421 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -30.1 | 177.7 | -177.8 | 177 | -170.2 | 0 | 0 | 113.3 | N100 P724 | N100-E721 PolarHBondContact ND2-OE1 3.21Å; N100-E721 PolarHBondContact ND2-OE2 3.04Å; E721-P724 WeakPolarHBondContact O-CD 3.36Å |
| 722 | M | 89.3 | Confident | 91.3 | Very high | 14 Ų | 14 | 29.1 Ų | 29.1 | 7% | 0.069 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -14.3 | 179.2 | -62.9 | -61.9 | -64.3 | 0 | 0 | 113.7 | P554 W576 F691 N720 F725 I726 | P554-M722 HydrophobicContact CG-CE 4.02Å; W576-M722 HydrophobicContact CH2-CE 3.92Å; W576-M722 HydrophobicContact CH2-SD 4.35Å; W576-M722 HydrophobicContact CZ2-CE 4.19Å; W576-M722 HydrophobicContact CZ2-CG 4.43Å; W576-M722 HydrophobicContact CZ2-SD 4.05Å; F691-M722 HydrophobicContact CE1-CB 4.15Å; F691-M722 HydrophobicContact CE1-CG 4.11Å; F691-M722 HydrophobicContact CZ-CB 4.21Å; N720-M722 PolarHBondContact O-N 2.9Å; N720-M722 VanDerWaalsContact O-N 3.15Å; N720-M722 WeakPolarHBondContact OD1-CB 3.48Å; N720-M722 PolarHBondContact OD1-N 3.4Å; M722-F725 WeakPolarHBondContact O-CB 3.13Å; M722-F725 PolarHBondContact O-N 3.43Å; M722-F725 HydrophobicContact SD-CD2 4.45Å; M722-I726 HydrophobicContact CB-CD1 3.7Å; M722-I726 HydrophobicContact CB-CG1 4.46Å; M722-I726 WeakPolarHBondContact O-CD1 3.21Å; M722-I726 WeakPolarHBondContact O-CG1 3.24Å; M722-I726 PolarHBondContact O-N 3.36Å |
| 723 | W | 92.5 | Very high | 91 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -51.3 | -47.1 | -177.3 | -92.6 | -161.8 | 0 | 0 | 0 | 114.1 | A74 E77 I582 F691 T700 L701 F704 T718 N720 F725 I726 D727 | A74-W723 HydrophobicContact CB-CB 3.71Å; E77-W723 VanDerWaalsContact OE2-CD1 3.29Å; I582-W723 HydrophobicContact CD1-CH2 4.26Å; F691-W723 HydrophobicContact CE2-CH2 4.45Å; F691-W723 AromaticContact CE2-CZ3 3.94Å; F691-W723 HydrophobicContact CE2-CZ3 3.94Å; F691-W723 HydrophobicContact CZ-CZ3 4.02Å; T700-W723 HydrophobicContact CG2-CH2 4.16Å; L701-W723 HydrophobicContact CB-CE3 4.2Å; L701-W723 HydrophobicContact CB-CH2 3.44Å; L701-W723 VanDerWaalsContact CB-CH2 3.44Å; L701-W723 HydrophobicContact CB-CZ2 3.82Å; L701-W723 HydrophobicContact CB-CZ3 3.62Å; L701-W723 HydrophobicContact CD1-CD2 3.33Å; L701-W723 HydrophobicContact CD1-CE3 3.81Å; L701-W723 HydrophobicContact CD1-CG 3.79Å; L701-W723 HydrophobicContact CD1-CH2 3.8Å; L701-W723 HydrophobicContact CD1-CZ2 3.34Å; L701-W723 HydrophobicContact CD1-CZ3 4Å; L701-W723 VanDerWaalsContact CD1-NE1 3.32Å; L701-W723 HydrophobicContact CG-CD2 4.44Å; L701-W723 HydrophobicContact CG-CH2 4.25Å; L701-W723 HydrophobicContact CG-CZ2 4.2Å; L701-W723 HydrophobicContact CG-CZ3 4.38Å; L701-W723 VanDerWaalsContact N-CH2 3.27Å; F704-W723 HydrophobicContact CB-CZ2 4.42Å; T718-W723 PolarHBondContact O-NE1 3.14Å; N720-W723 HydrophobicContact CB-CD2 4.17Å; N720-W723 HydrophobicContact CB-CE3 4.19Å; N720-W723 WeakPolarHBondContact O-CB 3.26Å; N720-W723 PolarHBondContact O-N 3.15Å; W723-F725 VanDerWaalsContact C-N 3.27Å; W723-F725 PolarHBondContact O-N 3.38Å; W723-I726 HydrophobicContact CE3-CD1 3.49Å; W723-I726 VanDerWaalsContact CE3-CD1 3.49Å; W723-I726 HydrophobicContact CZ3-CD1 3.56Å; W723-I726 PolarHBondContact O-N 2.93Å; W723-I726 VanDerWaalsContact O-N 3.1Å; W723-D727 PolarHBondContact O-N 3.22Å |
| 724 | P | 90.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.6 | -34.1 | 177.6 | -26.1 | 36.6 | 0 | 0 | 0 | 114 | L64 T68 A74 E721 Q728 | L64-P724 HydrophobicContact CD1-CB 3.39Å; L64-P724 HydrophobicContact CD1-CG 3.85Å; T68-P724 WeakPolarHBondContact CB-O 3.43Å; T68-P724 HydrophobicContact CG2-CB 3.87Å; T68-P724 VanDerWaalsContact CG2-O 3.3Å; T68-P724 WeakPolarHBondContact CG2-O 3.33Å; A74-P724 HydrophobicContact CB-CB 4.14Å; A74-P724 HydrophobicContact CB-CG 3.72Å; E721-P724 WeakPolarHBondContact O-CD 3.36Å; P724-Q728 PolarHBondContact O-N 3.46Å |
| 725 | F | 89.2 | Confident | 90.6 | Very high | 17 Ų | 17 | 25.8 Ų | 25.8 | 8% | 0.075 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -76.5 | -26.8 | 176.6 | -63.9 | -74.9 | 0 | 0 | 0 | 112.3 | L64 T68 P554 M722 W723 Q728 Y729 | L64-F725 HydrophobicContact CD1-CE2 4.18Å; L64-F725 HydrophobicContact CD1-CZ 4.21Å; T68-F725 HydrophobicContact CG2-CD1 3.97Å; T68-F725 HydrophobicContact CG2-CE1 4.17Å; T68-F725 HydrophobicContact CG2-CG 4.43Å; P554-F725 HydrophobicContact CG-CD1 4.1Å; P554-F725 HydrophobicContact CG-CD2 4.29Å; P554-F725 HydrophobicContact CG-CE1 4.26Å; P554-F725 HydrophobicContact CG-CE2 4.45Å; P554-F725 HydrophobicContact CG-CG 4.11Å; P554-F725 HydrophobicContact CG-CZ 4.43Å; M722-F725 WeakPolarHBondContact O-CB 3.13Å; M722-F725 PolarHBondContact O-N 3.43Å; M722-F725 HydrophobicContact SD-CD2 4.45Å; W723-F725 VanDerWaalsContact C-N 3.27Å; W723-F725 PolarHBondContact O-N 3.38Å; F725-Q728 WeakPolarHBondContact O-CB 3.32Å; F725-Y729 VanDerWaalsContact O-CD1 3.23Å; F725-Y729 WeakPolarHBondContact O-CD1 3.37Å; F725-Y729 WeakPolarHBondContact O-CE1 3.46Å |
| 726 | I | 90.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -80.6 | -41.1 | 177.1 | -63.3 | 155.3 | 0 | 0 | 0 | 110 | F691 Q697 M698 L701 M722 W723 Q728 Y729 | F691-I726 HydrophobicContact CE2-CD1 4.43Å; F691-I726 HydrophobicContact CZ-CD1 3.77Å; Q697-I726 HydrophobicContact CB-CD1 3.61Å; Q697-I726 HydrophobicContact CB-CG1 3.89Å; Q697-I726 HydrophobicContact CG-CD1 4.29Å; M698-I726 HydrophobicContact CB-CG2 4.12Å; M698-I726 HydrophobicContact CE-CG2 3.72Å; M698-I726 WeakPolarHBondContact CE-O 3.12Å; M698-I726 HydrophobicContact SD-CG2 3.91Å; L701-I726 HydrophobicContact CB-CG2 4.09Å; L701-I726 HydrophobicContact CD2-CB 4.12Å; L701-I726 HydrophobicContact CD2-CG2 3.48Å; L701-I726 VanDerWaalsContact CD2-CG2 3.48Å; L701-I726 HydrophobicContact CG-CG2 4.42Å; M722-I726 HydrophobicContact CB-CD1 3.7Å; M722-I726 HydrophobicContact CB-CG1 4.46Å; M722-I726 WeakPolarHBondContact O-CD1 3.21Å; M722-I726 WeakPolarHBondContact O-CG1 3.24Å; M722-I726 PolarHBondContact O-N 3.36Å; W723-I726 HydrophobicContact CE3-CD1 3.49Å; W723-I726 VanDerWaalsContact CE3-CD1 3.49Å; W723-I726 HydrophobicContact CZ3-CD1 3.56Å; W723-I726 PolarHBondContact O-N 2.93Å; W723-I726 VanDerWaalsContact O-N 3.1Å; I726-Q728 PolarHBondContact O-N 2.99Å; I726-Q728 VanDerWaalsContact O-N 3.15Å; I726-Y729 HydrophobicContact CB-CD2 4.49Å; I726-Y729 HydrophobicContact CG1-CD2 4.49Å; I726-Y729 HydrophobicContact CG1-CE2 4.17Å; I726-Y729 HydrophobicContact CG2-CD2 4.38Å; I726-Y729 WeakPolarHBondContact O-CB 3.37Å; I726-Y729 PolarHBondContact O-N 2.87Å |
| 727 | D | 90.9 | Very high | 90.1 | Very high | 3 Ų | 3 | 24.7 Ų | 24.7 | 2% | 0.016 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -53.8 | -33.7 | 169.9 | -85.7 | 5.1 | 0 | 0 | 0 | 111.7 | A72 L73 A74 L701 R705 W723 Y729 E730 Q731 | A72-D727 HydrophobicContact CB-CB 4.07Å; L73-D727 PolarHBondContact N-OD2 3.25Å; A74-D727 VanDerWaalsContact CB-OD2 3.24Å; A74-D727 WeakPolarHBondContact CB-OD2 3.44Å; A74-D727 PolarHBondContact N-OD2 3.15Å; L701-D727 WeakPolarHBondContact CD2-OD1 3.42Å; R705-D727 IonicContact CZ-OD1 3.18Å; R705-D727 VanDerWaalsContact CZ-OD1 3.23Å; R705-D727 IonicContact NH1-OD1 3.07Å; R705-D727 PolarHBondContact NH1-OD1 3.14Å; R705-D727 IonicContact NH1-OD2 3.63Å; R705-D727 IonicContact NH2-OD1 2.66Å; R705-D727 PolarHBondContact NH2-OD1 2.97Å; R705-D727 IonicContact NH2-OD2 3.94Å; R705-D727 PolarHBondContact NH2-OD2 3.03Å; W723-D727 PolarHBondContact O-N 3.22Å; D727-Y729 VanDerWaalsContact C-N 3.31Å; D727-Y729 PolarHBondContact O-N 3.03Å; D727-E730 PolarHBondContact O-N 3.43Å; D727-Q731 PolarHBondContact O-N 3.28Å |
| 728 | Q | 90.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.5 | -43.5 | 172.8 | 161.3 | -177 | 36.3 | 0 | 0 | 111.5 | Y67 F416 P724 F725 I726 E730 Q731 V732 | Y67-Q728 PolarHBondContact O-NE2 3.37Å; F416-Q728 HydrophobicContact CE1-CB 4.16Å; F416-Q728 HydrophobicContact CE1-CG 3.8Å; F416-Q728 HydrophobicContact CZ-CG 4.15Å; P724-Q728 PolarHBondContact O-N 3.46Å; F725-Q728 WeakPolarHBondContact O-CB 3.32Å; I726-Q728 PolarHBondContact O-N 2.99Å; I726-Q728 VanDerWaalsContact O-N 3.15Å; Q728-E730 VanDerWaalsContact C-N 3.31Å; Q728-E730 PolarHBondContact O-N 3.23Å; Q728-Q731 PolarHBondContact O-N 2.98Å; Q728-Q731 VanDerWaalsContact O-N 3.08Å; Q728-V732 HydrophobicContact CG-CG2 3.73Å; Q728-V732 WeakPolarHBondContact O-CG2 3.36Å; Q728-V732 PolarHBondContact O-N 3.1Å |
| 729 | Y | 85.2 | Confident | 89.6 | Confident | 6 Ų | 6 | 28.9 Ų | 28.9 | 2% | 0.024 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.5 | -41.6 | -175.1 | -54.2 | -19.1 | 0 | 0 | 0 | 111.4 | G551 L552 A694 M698 F725 I726 D727 Q731 | G551-Y729 VanDerWaalsContact CA-CE1 3.44Å; L552-Y729 VanDerWaalsContact N-CE1 3.34Å; L552-Y729 WeakPolarHBondContact O-CE1 3.42Å; L552-Y729 PolarHBondContact O-OH 3.33Å; A694-Y729 HydrophobicContact CB-CD2 3.92Å; A694-Y729 HydrophobicContact CB-CE2 3.47Å; A694-Y729 VanDerWaalsContact CB-CE2 3.47Å; M698-Y729 HydrophobicContact CE-CD2 4.4Å; M698-Y729 HydrophobicContact CE-CG 4.44Å; F725-Y729 VanDerWaalsContact O-CD1 3.23Å; F725-Y729 WeakPolarHBondContact O-CD1 3.37Å; F725-Y729 WeakPolarHBondContact O-CE1 3.46Å; I726-Y729 HydrophobicContact CB-CD2 4.49Å; I726-Y729 HydrophobicContact CG1-CD2 4.49Å; I726-Y729 HydrophobicContact CG1-CE2 4.17Å; I726-Y729 HydrophobicContact CG2-CD2 4.38Å; I726-Y729 WeakPolarHBondContact O-CB 3.37Å; I726-Y729 PolarHBondContact O-N 2.87Å; D727-Y729 VanDerWaalsContact C-N 3.31Å; D727-Y729 PolarHBondContact O-N 3.03Å; Y729-Q731 VanDerWaalsContact C-N 3.29Å; Y729-Q731 PolarHBondContact O-N 3.45Å |
| 730 | E | 82 | Confident | 89.3 | Confident | 106 Ų | 106 | 29.6 Ų | 29.6 | 50% | 0.495 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -65.3 | -32.4 | 177.5 | -169 | -179.9 | 175.9 | 0 | 0 | 112.5 | M698 D727 Q728 P734 | M698-E730 HydrophobicContact CE-CB 3.88Å; D727-E730 PolarHBondContact O-N 3.43Å; Q728-E730 VanDerWaalsContact C-N 3.31Å; Q728-E730 PolarHBondContact O-N 3.23Å; E730-P734 WeakPolarHBondContact O-CD 3.16Å; E730-P734 WeakPolarHBondContact O-CG 3.2Å |
| 731 | Q | 87.6 | Confident | 89.2 | Confident | 39 Ų | 39 | 35.5 Ų | 35.5 | 18% | 0.182 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -96.1 | -16.1 | -173.2 | -65.3 | -166 | 21.1 | 0 | 0 | 115.4 | P69 N71 F416 D727 Q728 Y729 N735 | P69-Q731 HydrophobicContact CG-CB 4.34Å; P69-Q731 VanDerWaalsContact CG-CD 3.48Å; P69-Q731 HydrophobicContact CG-CG 4.26Å; P69-Q731 VanDerWaalsContact CG-OE1 3.3Å; N71-Q731 PolarHBondContact OD1-NE2 2.83Å; N71-Q731 PolarHBondContact OD1-OE1 3.08Å; F416-Q731 HydrophobicContact CE2-CB 4.42Å; F416-Q731 HydrophobicContact CZ-CB 4.18Å; D727-Q731 PolarHBondContact O-N 3.28Å; Q728-Q731 PolarHBondContact O-N 2.98Å; Q728-Q731 VanDerWaalsContact O-N 3.08Å; Y729-Q731 VanDerWaalsContact C-N 3.29Å; Y729-Q731 PolarHBondContact O-N 3.45Å; Q731-N735 WeakPolarHBondContact O-CB 3.4Å; Q731-N735 PolarHBondContact O-N 2.86Å; Q731-N735 PolarHBondContact O-ND2 3.39Å |
| 732 | V | 89.1 | Confident | 89.4 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.9 | -52.7 | -179.6 | -177.3 | 0 | 0 | 0 | 0 | 110.6 | F416 Q728 N735 V736 I786 | F416-V732 HydrophobicContact CE2-CG2 4.44Å; F416-V732 HydrophobicContact CZ-CG2 3.87Å; Q728-V732 HydrophobicContact CG-CG2 3.73Å; Q728-V732 WeakPolarHBondContact O-CG2 3.36Å; Q728-V732 PolarHBondContact O-N 3.1Å; V732-N735 PolarHBondContact O-N 3.08Å; V732-V736 HydrophobicContact CG1-CG2 4.18Å; V732-V736 WeakPolarHBondContact O-CG2 3.38Å; V732-V736 PolarHBondContact O-N 3.22Å; V732-I786 HydrophobicContact CG1-CG2 3.76Å |
| 733 | L | 87.1 | Confident | 89.3 | Confident | 33 Ų | 33 | 31.9 Ų | 31.9 | 17% | 0.173 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.5 | -45.6 | -171.1 | -173.8 | 69.3 | 0 | 0 | 0 | 113.3 | N735 V736 F737 I786 | L733-N735 VanDerWaalsContact C-N 3.31Å; L733-N735 PolarHBondContact O-N 3.46Å; L733-V736 PolarHBondContact O-N 3.22Å; L733-F737 HydrophobicContact CD1-CD2 4.1Å; L733-F737 HydrophobicContact CD1-CE2 3.5Å; L733-F737 HydrophobicContact CD1-CZ 4.07Å; L733-F737 HydrophobicContact CD2-CE2 3.99Å; L733-F737 HydrophobicContact CG-CD2 3.9Å; L733-F737 HydrophobicContact CG-CE2 3.52Å; L733-F737 VanDerWaalsContact O-CD2 3.27Å; L733-F737 WeakPolarHBondContact O-CD2 3.38Å; L733-F737 PolarHBondContact O-N 3.34Å; L733-F737 VanDerWaalsContact O-N 3.09Å; L733-I786 HydrophobicContact CD1-CD1 3.94Å |
| 734 | P | 89.5 | Confident | 89.1 | Confident | 78 Ų | 78 | 33.9 Ų | 33.9 | 51% | 0.506 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -58.6 | -40.7 | 174.3 | -25.4 | 35.8 | 0 | 0 | 0 | 113 | E730 F737 Q738 | E730-P734 WeakPolarHBondContact O-CD 3.16Å; E730-P734 WeakPolarHBondContact O-CG 3.2Å; P734-F737 PolarHBondContact O-N 3.08Å; P734-Q738 WeakPolarHBondContact O-CB 3.49Å; P734-Q738 PolarHBondContact O-N 3.39Å |
| 735 | N | 90.3 | Very high | 89 | Confident | 9 Ų | 9 | 39.6 Ų | 39.6 | 5% | 0.048 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.9 | -42.1 | 177.6 | -81.3 | -42.3 | 0 | 0 | 0 | 111.8 | Q731 V732 L733 F737 Q738 E739 M791 | Q731-N735 WeakPolarHBondContact O-CB 3.4Å; Q731-N735 PolarHBondContact O-N 2.86Å; Q731-N735 PolarHBondContact O-ND2 3.39Å; V732-N735 PolarHBondContact O-N 3.08Å; L733-N735 VanDerWaalsContact C-N 3.31Å; L733-N735 PolarHBondContact O-N 3.46Å; N735-F737 VanDerWaalsContact C-N 3.33Å; N735-F737 PolarHBondContact O-N 3.45Å; N735-Q738 WeakPolarHBondContact O-CB 3.39Å; N735-Q738 PolarHBondContact O-N 2.8Å; N735-E739 WeakPolarHBondContact O-CG 3.27Å; N735-E739 PolarHBondContact O-N 2.84Å; N735-M791 HydrophobicContact CB-SD 4.12Å |
| 736 | V | 90 | Very high | 88.9 | Confident | 8 Ų | 8 | 40.5 Ų | 40.5 | 5% | 0.048 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56.9 | -46.4 | 173.9 | 169.7 | 0 | 0 | 0 | 0 | 111.3 | V732 L733 E739 L740 I786 M791 L794 | V732-V736 HydrophobicContact CG1-CG2 4.18Å; V732-V736 WeakPolarHBondContact O-CG2 3.38Å; V732-V736 PolarHBondContact O-N 3.22Å; L733-V736 PolarHBondContact O-N 3.22Å; V736-E739 PolarHBondContact O-N 3.47Å; V736-L740 WeakPolarHBondContact O-CB 3.43Å; V736-L740 PolarHBondContact O-N 3.07Å; V736-I786 HydrophobicContact CG2-CG2 4.04Å; V736-M791 HydrophobicContact CG2-CB 3.95Å; V736-M791 HydrophobicContact CG2-CG 3.66Å; V736-M791 HydrophobicContact CG2-SD 3.89Å; V736-L794 HydrophobicContact CG1-CD1 3.89Å |
| 737 | F | 90.8 | Very high | 88.7 | Confident | 76 Ų | 76 | 40.6 Ų | 40.6 | 33% | 0.333 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -68.4 | -39.1 | 178.6 | -74.9 | -56.4 | 0 | 0 | 0 | 112.8 | L733 P734 N735 E739 L740 Y741 | L733-F737 HydrophobicContact CD1-CD2 4.1Å; L733-F737 HydrophobicContact CD1-CE2 3.5Å; L733-F737 HydrophobicContact CD1-CZ 4.07Å; L733-F737 HydrophobicContact CD2-CE2 3.99Å; L733-F737 HydrophobicContact CG-CD2 3.9Å; L733-F737 HydrophobicContact CG-CE2 3.52Å; L733-F737 VanDerWaalsContact O-CD2 3.27Å; L733-F737 WeakPolarHBondContact O-CD2 3.38Å; L733-F737 PolarHBondContact O-N 3.34Å; L733-F737 VanDerWaalsContact O-N 3.09Å; P734-F737 PolarHBondContact O-N 3.08Å; N735-F737 VanDerWaalsContact C-N 3.33Å; N735-F737 PolarHBondContact O-N 3.45Å; F737-E739 VanDerWaalsContact C-N 3.3Å; F737-E739 PolarHBondContact O-N 3.16Å; F737-L740 PolarHBondContact O-N 2.78Å; F737-Y741 HydrophobicContact CB-CD2 4.32Å; F737-Y741 HydrophobicContact CB-CE2 3.91Å; F737-Y741 WeakPolarHBondContact O-CD2 3.33Å; F737-Y741 VanDerWaalsContact O-CG 3.32Å; F737-Y741 PolarHBondContact O-N 2.94Å |
| 738 | Q | 91.6 | Very high | 88.5 | Confident | 95 Ų | 95 | 44 Ų | 44 | 44% | 0.444 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -55.7 | -48 | 173.7 | 178.5 | -179.8 | -56.7 | 0 | 0 | 110.6 | P734 N735 Y741 S742 | P734-Q738 WeakPolarHBondContact O-CB 3.49Å; P734-Q738 PolarHBondContact O-N 3.39Å; N735-Q738 WeakPolarHBondContact O-CB 3.39Å; N735-Q738 PolarHBondContact O-N 2.8Å; Q738-Y741 PolarHBondContact O-N 2.64Å; Q738-S742 VanDerWaalsContact O-CB 3.25Å; Q738-S742 WeakPolarHBondContact O-CB 3.37Å; Q738-S742 PolarHBondContact O-N 3.42Å; Q738-S742 PolarHBondContact O-OG 3.17Å |
| 739 | E | 88.8 | Confident | 88.3 | Confident | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.019 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.1 | -41 | 177.8 | -70.1 | -53.2 | 132.3 | 0 | 0 | 112.9 | V410 G411 T414 N735 V736 F737 S742 G743 I795 I798 | V410-E739 VanDerWaalsContact C-OE2 3.29Å; V410-E739 WeakPolarHBondContact CG1-OE2 3.23Å; G411-E739 WeakPolarHBondContact CA-OE2 3.32Å; G411-E739 PolarHBondContact N-OE2 3.46Å; G411-E739 VanDerWaalsContact N-OE2 3.12Å; T414-E739 HydrophobicContact CG2-CG 3.74Å; T414-E739 WeakPolarHBondContact CG2-OE1 3.27Å; N735-E739 WeakPolarHBondContact O-CG 3.27Å; N735-E739 PolarHBondContact O-N 2.84Å; V736-E739 PolarHBondContact O-N 3.47Å; F737-E739 VanDerWaalsContact C-N 3.3Å; F737-E739 PolarHBondContact O-N 3.16Å; E739-S742 VanDerWaalsContact CA-OG 3.31Å; E739-S742 WeakPolarHBondContact CA-OG 3.48Å; E739-S742 PolarHBondContact O-OG 3.32Å; E739-G743 WeakPolarHBondContact O-CA 3.49Å; E739-G743 PolarHBondContact O-N 2.92Å; E739-I795 HydrophobicContact CB-CG1 4.34Å; E739-I795 HydrophobicContact CG-CD1 4.33Å; E739-I795 HydrophobicContact CG-CG1 4.29Å; E739-I798 WeakPolarHBondContact O-CD1 3.5Å |
| 740 | L | 89.9 | Confident | 88.3 | Confident | 25 Ų | 25 | 46.3 Ų | 46.3 | 13% | 0.131 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.4 | -48.7 | 176.5 | -178.2 | 60.9 | 0 | 0 | 0 | 111.2 | V736 F737 M744 D772 | V736-L740 WeakPolarHBondContact O-CB 3.43Å; V736-L740 PolarHBondContact O-N 3.07Å; F737-L740 PolarHBondContact O-N 2.78Å; L740-M744 HydrophobicContact CD1-CG 4.46Å; L740-M744 HydrophobicContact CD1-SD 4.33Å; L740-M744 HydrophobicContact CG-SD 4.23Å; L740-M744 WeakPolarHBondContact O-CB 3.43Å; L740-M744 WeakPolarHBondContact O-CG 3.48Å; L740-M744 PolarHBondContact O-N 3.47Å; L740-D772 HydrophobicContact CD1-CB 3.64Å; L740-D772 WeakPolarHBondContact CD1-OD2 3.24Å |
| 741 | Y | 90.8 | Very high | 88.2 | Confident | 141 Ų | 141 | 41.4 Ų | 41.4 | 55% | 0.553 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -68.1 | -43.5 | -179.1 | -64.3 | -45.4 | 0 | 0 | 0 | 112.4 | F737 Q738 M744 I745 | F737-Y741 HydrophobicContact CB-CD2 4.32Å; F737-Y741 HydrophobicContact CB-CE2 3.91Å; F737-Y741 WeakPolarHBondContact O-CD2 3.33Å; F737-Y741 VanDerWaalsContact O-CG 3.32Å; F737-Y741 PolarHBondContact O-N 2.94Å; Q738-Y741 PolarHBondContact O-N 2.64Å; Y741-M744 PolarHBondContact O-N 2.72Å; Y741-I745 WeakPolarHBondContact O-CD1 3.46Å; Y741-I745 VanDerWaalsContact O-CG1 3.26Å; Y741-I745 WeakPolarHBondContact O-CG1 3.39Å; Y741-I745 PolarHBondContact O-N 2.87Å |
| 742 | S | 90.4 | Very high | 88.1 | Confident | 27 Ų | 27 | 42.3 Ų | 42.3 | 19% | 0.189 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.4 | -43.6 | 177.3 | 62.6 | 0 | 0 | 0 | 0 | 111.2 | V410 Q738 E739 M744 I745 C746 | V410-S742 WeakPolarHBondContact CG1-OG 3.42Å; Q738-S742 VanDerWaalsContact O-CB 3.25Å; Q738-S742 WeakPolarHBondContact O-CB 3.37Å; Q738-S742 PolarHBondContact O-N 3.42Å; Q738-S742 PolarHBondContact O-OG 3.17Å; E739-S742 VanDerWaalsContact CA-OG 3.31Å; E739-S742 WeakPolarHBondContact CA-OG 3.48Å; E739-S742 PolarHBondContact O-OG 3.32Å; S742-M744 PolarHBondContact O-N 3.47Å; S742-I745 PolarHBondContact O-N 3.35Å; S742-C746 PolarHBondContact O-N 3Å; S742-C746 PolarHBondContact O-SG 3.47Å; S742-C746 VanDerWaalsContact O-SG 3.35Å |
| 743 | G | 88.3 | Confident | 87.7 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.9 | -45.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E739 I745 C746 M747 | E739-G743 WeakPolarHBondContact O-CA 3.49Å; E739-G743 PolarHBondContact O-N 2.92Å; G743-I745 VanDerWaalsContact C-N 3.35Å; G743-I745 PolarHBondContact O-N 3.02Å; G743-C746 PolarHBondContact O-N 3.28Å; G743-M747 WeakPolarHBondContact O-CB 3.19Å; G743-M747 WeakPolarHBondContact O-CG 3.37Å; G743-M747 PolarHBondContact O-N 3.43Å |
| 744 | M | 86.7 | Confident | 87.2 | Confident | 42 Ų | 42 | 44.5 Ų | 44.5 | 21% | 0.207 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.2 | -40.3 | 175.5 | -74.7 | 177.3 | 68.5 | 0 | 0 | 112.7 | L740 Y741 S742 M747 I748 T765 M768 A769 | L740-M744 HydrophobicContact CD1-CG 4.46Å; L740-M744 HydrophobicContact CD1-SD 4.33Å; L740-M744 HydrophobicContact CG-SD 4.23Å; L740-M744 WeakPolarHBondContact O-CB 3.43Å; L740-M744 WeakPolarHBondContact O-CG 3.48Å; L740-M744 PolarHBondContact O-N 3.47Å; Y741-M744 PolarHBondContact O-N 2.72Å; S742-M744 PolarHBondContact O-N 3.47Å; M744-M747 PolarHBondContact O-N 3.22Å; M744-I748 WeakPolarHBondContact O-CG1 3.27Å; M744-I748 PolarHBondContact O-N 3.21Å; M744-T765 HydrophobicContact CE-CG2 4.18Å; M744-M768 HydrophobicContact CG-CE 3.7Å; M744-M768 HydrophobicContact CG-SD 4.05Å; M744-A769 HydrophobicContact CE-CB 3.66Å; M744-A769 HydrophobicContact SD-CB 4.21Å |
| 745 | I | 89.5 | Confident | 86.5 | Confident | 120 Ų | 120 | 41 Ų | 41 | 62% | 0.615 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -64.7 | -47 | 176.9 | -69.8 | 164.2 | 0 | 0 | 0 | 110.6 | Y741 S742 G743 M747 I748 G749 | Y741-I745 WeakPolarHBondContact O-CD1 3.46Å; Y741-I745 VanDerWaalsContact O-CG1 3.26Å; Y741-I745 WeakPolarHBondContact O-CG1 3.39Å; Y741-I745 PolarHBondContact O-N 2.87Å; S742-I745 PolarHBondContact O-N 3.35Å; G743-I745 VanDerWaalsContact C-N 3.35Å; G743-I745 PolarHBondContact O-N 3.02Å; I745-M747 PolarHBondContact O-N 3.34Å; I745-I748 PolarHBondContact O-N 3.28Å; I745-G749 PolarHBondContact O-N 3.32Å; I745-G749 VanDerWaalsContact O-N 3.09Å |
| 746 | C | 87.5 | Confident | 85.5 | Confident | 35 Ų | 35 | 41.2 Ų | 41.2 | 24% | 0.236 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56.9 | -41.7 | 174.7 | -71.6 | 0 | 0 | 0 | 0 | 111 | I406 S742 G743 G749 I750 | I406-C746 HydrophobicContact CG2-CB 3.73Å; I406-C746 VanDerWaalsContact CG2-SG 3.57Å; S742-C746 PolarHBondContact O-N 3Å; S742-C746 PolarHBondContact O-SG 3.47Å; S742-C746 VanDerWaalsContact O-SG 3.35Å; G743-C746 PolarHBondContact O-N 3.28Å; C746-G749 PolarHBondContact O-N 2.71Å; C746-I750 WeakPolarHBondContact O-CG1 3.42Å; C746-I750 PolarHBondContact O-N 3.25Å |
| 747 | M | 85.9 | Confident | 84.7 | Confident | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.015 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.5 | -41.5 | 178.7 | -81.3 | -49.6 | -46.5 | 0 | 0 | 114.3 | T403 G743 M744 I745 G749 I750 A751 M768 V802 | T403-M747 HydrophobicContact CG2-CE 4.34Å; T403-M747 HydrophobicContact CG2-SD 3.15Å; T403-M747 WeakPolarHBondContact CG2-SD 3.38Å; G743-M747 WeakPolarHBondContact O-CB 3.19Å; G743-M747 WeakPolarHBondContact O-CG 3.37Å; G743-M747 PolarHBondContact O-N 3.43Å; M744-M747 PolarHBondContact O-N 3.22Å; I745-M747 PolarHBondContact O-N 3.34Å; M747-G749 VanDerWaalsContact C-N 3.26Å; M747-G749 PolarHBondContact O-N 3.18Å; M747-I750 PolarHBondContact O-N 2.95Å; M747-I750 HydrophobicContact SD-CD1 4.48Å; M747-A751 WeakPolarHBondContact O-CB 3.5Å; M747-A751 PolarHBondContact O-N 3.03Å; M747-M768 HydrophobicContact CB-SD 3.96Å; M747-M768 HydrophobicContact CG-CE 4.39Å; M747-M768 HydrophobicContact CG-SD 3.6Å; M747-M768 VanDerWaalsContact CG-SD 3.6Å; M747-V802 HydrophobicContact CE-CB 4.13Å; M747-V802 HydrophobicContact CE-CG1 3.17Å; M747-V802 HydrophobicContact CE-CG2 3.86Å; M747-V802 HydrophobicContact CG-CG2 3.83Å; M747-V802 HydrophobicContact SD-CB 4.23Å; M747-V802 HydrophobicContact SD-CG1 3.72Å; M747-V802 HydrophobicContact SD-CG2 3.78Å |
| 748 | I | 86.8 | Confident | 84.1 | Confident | 73 Ų | 73 | 40.7 Ų | 40.7 | 37% | 0.374 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59.2 | -43.9 | 172.5 | -67.3 | 164.3 | 0 | 0 | 0 | 109.7 | M744 I745 L752 T765 | M744-I748 WeakPolarHBondContact O-CG1 3.27Å; M744-I748 PolarHBondContact O-N 3.21Å; I745-I748 PolarHBondContact O-N 3.28Å; I748-L752 HydrophobicContact CG2-CD1 3.69Å; I748-L752 HydrophobicContact CG2-CG 4.26Å; I748-L752 VanDerWaalsContact O-CB 3.3Å; I748-L752 WeakPolarHBondContact O-CB 3.37Å; I748-L752 WeakPolarHBondContact O-CG 3.11Å; I748-L752 PolarHBondContact O-N 2.84Å; I748-T765 HydrophobicContact CD1-CG2 3.91Å; I748-T765 HydrophobicContact CG1-CG2 3.59Å; I748-T765 WeakPolarHBondContact CG1-OG1 3.34Å |
| 749 | G | 86.2 | Confident | 83.5 | Confident | 43 Ų | 43 | 37.9 Ų | 37.9 | 44% | 0.443 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.5 | -50.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | I745 C746 M747 L753 | I745-G749 PolarHBondContact O-N 3.32Å; I745-G749 VanDerWaalsContact O-N 3.09Å; C746-G749 PolarHBondContact O-N 2.71Å; M747-G749 VanDerWaalsContact C-N 3.26Å; M747-G749 PolarHBondContact O-N 3.18Å; G749-L753 WeakPolarHBondContact O-CB 3.16Å; G749-L753 PolarHBondContact O-N 3.13Å; G749-L753 VanDerWaalsContact O-N 3.12Å |
| 750 | I | 84.5 | Confident | 83.1 | Confident | 12 Ų | 12 | 38 Ų | 38 | 6% | 0.062 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.3 | -47.1 | 179 | -62.5 | 168.1 | 0 | 0 | 0 | 110.4 | I399 I406 C746 M747 L752 L753 F754 | I399-I750 HydrophobicContact CG2-CG2 4.16Å; I406-I750 HydrophobicContact CD1-CD1 3.8Å; I406-I750 HydrophobicContact CD1-CG1 4.29Å; C746-I750 WeakPolarHBondContact O-CG1 3.42Å; C746-I750 PolarHBondContact O-N 3.25Å; M747-I750 PolarHBondContact O-N 2.95Å; M747-I750 HydrophobicContact SD-CD1 4.48Å; I750-L752 VanDerWaalsContact C-N 3.32Å; I750-L752 PolarHBondContact O-N 3.08Å; I750-L753 WeakPolarHBondContact O-CB 3.29Å; I750-L753 PolarHBondContact O-N 3.08Å; I750-L753 VanDerWaalsContact O-N 3.08Å; I750-F754 HydrophobicContact CG2-CD2 3.82Å; I750-F754 HydrophobicContact CG2-CE2 4.2Å; I750-F754 WeakPolarHBondContact O-CD2 3.32Å; I750-F754 PolarHBondContact O-N 3.44Å |
| 751 | A | 81.7 | Confident | 82.8 | Confident | 4 Ų | 4 | 36.9 Ų | 36.9 | 3% | 0.033 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.3 | -38.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | M747 I755 A761 | M747-A751 WeakPolarHBondContact O-CB 3.5Å; M747-A751 PolarHBondContact O-N 3.03Å; A751-I755 HydrophobicContact CB-CD1 4.07Å; A751-I755 WeakPolarHBondContact O-CA 3.4Å; A751-I755 WeakPolarHBondContact O-CB 3.19Å; A751-I755 WeakPolarHBondContact O-CG1 3.1Å; A751-I755 PolarHBondContact O-N 3.22Å; A751-A761 HydrophobicContact CB-CB 3.64Å |
| 752 | L | 84 | Confident | 82.6 | Confident | 57 Ų | 57 | 34.6 Ų | 34.6 | 30% | 0.298 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -68 | -33.1 | 174 | -72.1 | 173.2 | 0 | 0 | 0 | 112.9 | F14 I748 I750 P758 A761 | F14-L752 WeakPolarHBondContact CB-O 3.39Å; F14-L752 VanDerWaalsContact CD2-O 3.31Å; F14-L752 WeakPolarHBondContact CD2-O 3.29Å; F14-L752 VanDerWaalsContact CG-O 3.28Å; F14-L752 WeakPolarHBondContact CG-O 3.48Å; I748-L752 HydrophobicContact CG2-CD1 3.69Å; I748-L752 HydrophobicContact CG2-CG 4.26Å; I748-L752 VanDerWaalsContact O-CB 3.3Å; I748-L752 WeakPolarHBondContact O-CB 3.37Å; I748-L752 WeakPolarHBondContact O-CG 3.11Å; I748-L752 PolarHBondContact O-N 2.84Å; I750-L752 VanDerWaalsContact C-N 3.32Å; I750-L752 PolarHBondContact O-N 3.08Å; L752-P758 HydrophobicContact CD2-CB 3.98Å; L752-A761 HydrophobicContact CD2-CB 3.88Å; L752-A761 HydrophobicContact CG-CB 4.18Å |
| 753 | L | 82 | Confident | 82.5 | Confident | 71 Ų | 71 | 33.8 Ų | 33.8 | 37% | 0.372 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -70.6 | -35.2 | 179.4 | -167.3 | 71.1 | 0 | 0 | 0 | 112.4 | I17 G749 I750 | I17-L753 HydrophobicContact CD1-CD1 3.28Å; I17-L753 HydrophobicContact CD1-CG 3.87Å; G749-L753 WeakPolarHBondContact O-CB 3.16Å; G749-L753 PolarHBondContact O-N 3.13Å; G749-L753 VanDerWaalsContact O-N 3.12Å; I750-L753 WeakPolarHBondContact O-CB 3.29Å; I750-L753 PolarHBondContact O-N 3.08Å; I750-L753 VanDerWaalsContact O-N 3.08Å |
| 754 | F | 75.2 | Confident | 82.5 | Confident | 10 Ų | 10 | 33.8 Ų | 33.8 | 4% | 0.044 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -112.5 | -28.7 | -168.6 | -75.9 | -86.3 | 0 | 0 | 0 | 115.3 | M21 I399 L402 I750 P756 | M21-F754 HydrophobicContact CE-CE1 3.72Å; M21-F754 HydrophobicContact CE-CZ 4.29Å; M21-F754 HydrophobicContact SD-CD1 4.35Å; M21-F754 HydrophobicContact SD-CE1 3.38Å; M21-F754 WeakPolarHBondContact SD-CE1 3.46Å; M21-F754 HydrophobicContact SD-CZ 3.99Å; I399-F754 HydrophobicContact CD1-CB 3.6Å; I399-F754 HydrophobicContact CD1-CD1 3.86Å; I399-F754 HydrophobicContact CD1-CG 3.95Å; I399-F754 HydrophobicContact CG1-CB 3.73Å; I399-F754 HydrophobicContact CG1-CD1 3.45Å; I399-F754 VanDerWaalsContact CG1-CD1 3.45Å; I399-F754 HydrophobicContact CG1-CD2 4.16Å; I399-F754 HydrophobicContact CG1-CE1 3.95Å; I399-F754 HydrophobicContact CG1-CG 3.55Å; L402-F754 HydrophobicContact CD2-CE2 3.83Å; L402-F754 HydrophobicContact CD2-CZ 4.13Å; I750-F754 HydrophobicContact CG2-CD2 3.82Å; I750-F754 HydrophobicContact CG2-CE2 4.2Å; I750-F754 WeakPolarHBondContact O-CD2 3.32Å; I750-F754 PolarHBondContact O-N 3.44Å; F754-P756 WeakPolarHBondContact O-CD 3.35Å |
| 755 | I | 75 | Confident | 82.5 | Confident | 5 Ų | 5 | 32.3 Ų | 32.3 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | trans | -88.9 | 118.5 | 177.9 | -55.5 | -179.9 | 0 | 0 | 0 | 108.3 | A751 N757 V764 A809 A813 | A751-I755 HydrophobicContact CB-CD1 4.07Å; A751-I755 WeakPolarHBondContact O-CA 3.4Å; A751-I755 WeakPolarHBondContact O-CB 3.19Å; A751-I755 WeakPolarHBondContact O-CG1 3.1Å; A751-I755 PolarHBondContact O-N 3.22Å; I755-N757 PolarHBondContact O-N 3.47Å; I755-V764 HydrophobicContact CD1-CG2 4.09Å; I755-A809 HydrophobicContact CD1-CB 4.2Å; I755-A813 HydrophobicContact CG2-CB 4.34Å | ||
| 756 | P | 68.9 | Low | 82.6 | Confident | 13 Ų | 13 | 31.9 Ų | 31.9 | 8% | 0.084 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -47.1 | -30.6 | 178.8 | -39.2 | 42.4 | 0 | 0 | 0 | 116.6 | H13 D15 F754 A813 | H13-P756 PolarHBondContact ND1-O 3.43Å; D15-P756 WeakPolarHBondContact OD1-CA 3.29Å; D15-P756 WeakPolarHBondContact OD1-CB 3.3Å; F754-P756 WeakPolarHBondContact O-CD 3.35Å; P756-A813 HydrophobicContact CG-CB 4.38Å |
| 757 | N | 74 | Confident | 82.8 | Confident | 26 Ų | 26 | 30.4 Ų | 30.4 | 14% | 0.139 | 18% | 0.176 | C | C | . | . | trans | -114 | 120 | -171.6 | 180 | 6.7 | 0 | 0 | 0 | 110.8 | I755 L759 G760 A761 | I755-N757 PolarHBondContact O-N 3.47Å; N757-L759 PolarHBondContact O-N 3.13Å; N757-L759 PolarHBondContact OD1-N 3.35Å; N757-L759 VanDerWaalsContact OD1-N 3.07Å; N757-G760 WeakPolarHBondContact O-CA 3.25Å; N757-G760 PolarHBondContact O-N 3.24Å; N757-A761 PolarHBondContact O-N 3.4Å | ||
| 758 | P | 78.9 | Confident | 83 | Confident | 46 Ų | 46 | 30.3 Ų | 30.3 | 30% | 0.299 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -61.5 | -28 | 179.1 | 24.6 | -34.9 | 0 | 0 | 0 | 113.4 | L752 G760 A761 I762 | L752-P758 HydrophobicContact CD2-CB 3.98Å; P758-G760 VanDerWaalsContact C-N 3.32Å; P758-A761 WeakPolarHBondContact O-CB 3.44Å; P758-A761 PolarHBondContact O-N 2.9Å; P758-I762 WeakPolarHBondContact O-CG1 3.13Å; P758-I762 PolarHBondContact O-N 3.07Å |
| 759 | L | 79 | Confident | 83.3 | Confident | 36 Ų | 36 | 28.2 Ų | 28.2 | 19% | 0.188 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.2 | -34.9 | 173.3 | -70 | -177.6 | 0 | 0 | 0 | 112.7 | N757 A761 I762 C763 K890 | N757-L759 PolarHBondContact O-N 3.13Å; N757-L759 PolarHBondContact OD1-N 3.35Å; N757-L759 VanDerWaalsContact OD1-N 3.07Å; L759-A761 VanDerWaalsContact C-N 3.3Å; L759-I762 PolarHBondContact O-N 2.78Å; L759-C763 PolarHBondContact O-N 3Å; L759-C763 PolarHBondContact O-SG 2.93Å; L759-K890 HydrophobicContact CD1-CD 3.54Å |
| 760 | G | 79.1 | Confident | 83.7 | Confident | 7 Ų | 7 | 26.5 Ų | 26.5 | 7% | 0.072 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63 | -43.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | N757 P758 C763 V764 | N757-G760 WeakPolarHBondContact O-CA 3.25Å; N757-G760 PolarHBondContact O-N 3.24Å; P758-G760 VanDerWaalsContact C-N 3.32Å; G760-C763 PolarHBondContact O-N 3.3Å; G760-V764 VanDerWaalsContact O-CG2 3.31Å; G760-V764 WeakPolarHBondContact O-CG2 3.21Å; G760-V764 PolarHBondContact O-N 3.01Å |
| 761 | A | 83.6 | Confident | 84.1 | Confident | 2 Ų | 2 | 25.9 Ų | 25.9 | 2% | 0.017 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58 | -49.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | A751 L752 N757 P758 L759 C763 V764 T765 | A751-A761 HydrophobicContact CB-CB 3.64Å; L752-A761 HydrophobicContact CD2-CB 3.88Å; L752-A761 HydrophobicContact CG-CB 4.18Å; N757-A761 PolarHBondContact O-N 3.4Å; P758-A761 WeakPolarHBondContact O-CB 3.44Å; P758-A761 PolarHBondContact O-N 2.9Å; L759-A761 VanDerWaalsContact C-N 3.3Å; A761-C763 PolarHBondContact O-N 2.89Å; A761-V764 PolarHBondContact O-N 3.48Å; A761-T765 PolarHBondContact O-N 3Å; A761-T765 PolarHBondContact O-OG1 2.84Å; A761-T765 VanDerWaalsContact O-OG1 3.12Å |
| 762 | I | 86.5 | Confident | 84.7 | Confident | 92 Ų | 92 | 25.9 Ų | 25.9 | 47% | 0.472 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -59.6 | -44.1 | 177.5 | -65.4 | 166 | 0 | 0 | 0 | 111.5 | P758 L759 V764 T765 L766 | P758-I762 WeakPolarHBondContact O-CG1 3.13Å; P758-I762 PolarHBondContact O-N 3.07Å; L759-I762 PolarHBondContact O-N 2.78Å; I762-V764 VanDerWaalsContact C-N 3.33Å; I762-V764 PolarHBondContact O-N 3.49Å; I762-T765 PolarHBondContact O-N 3.18Å; I762-L766 HydrophobicContact CG2-CD1 3.9Å; I762-L766 HydrophobicContact CG2-CG 4.27Å; I762-L766 WeakPolarHBondContact O-CB 3.41Å; I762-L766 VanDerWaalsContact O-CG 3.32Å; I762-L766 WeakPolarHBondContact O-CG 3.4Å; I762-L766 PolarHBondContact O-N 3.45Å |
| 763 | C | 88.3 | Confident | 85.1 | Confident | 11 Ų | 11 | 24.6 Ų | 24.6 | 7% | 0.074 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.2 | -37.8 | 179.2 | -66.2 | 0 | 0 | 0 | 0 | 112.2 | L759 G760 A761 S767 L879 I883 | L759-C763 PolarHBondContact O-N 3Å; L759-C763 PolarHBondContact O-SG 2.93Å; G760-C763 PolarHBondContact O-N 3.3Å; A761-C763 PolarHBondContact O-N 2.89Å; C763-S767 WeakPolarHBondContact O-CB 3.26Å; C763-S767 PolarHBondContact O-N 3.36Å; C763-S767 PolarHBondContact O-OG 3.39Å; C763-L879 HydrophobicContact CB-CD1 3.89Å; C763-I883 HydrophobicContact CB-CG1 4.04Å |
| 764 | V | 88.5 | Confident | 85.7 | Confident | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.5 | -46.1 | 175.7 | 171.3 | 0 | 0 | 0 | 0 | 110.3 | I755 G760 A761 I762 L766 S767 M768 A809 L879 | I755-V764 HydrophobicContact CD1-CG2 4.09Å; G760-V764 VanDerWaalsContact O-CG2 3.31Å; G760-V764 WeakPolarHBondContact O-CG2 3.21Å; G760-V764 PolarHBondContact O-N 3.01Å; A761-V764 PolarHBondContact O-N 3.48Å; I762-V764 VanDerWaalsContact C-N 3.33Å; I762-V764 PolarHBondContact O-N 3.49Å; V764-L766 PolarHBondContact O-N 2.9Å; V764-S767 WeakPolarHBondContact O-CB 3.21Å; V764-S767 PolarHBondContact O-N 3.31Å; V764-M768 PolarHBondContact O-N 2.86Å; V764-A809 HydrophobicContact CG2-CB 3.4Å; V764-L879 HydrophobicContact CG2-CD2 4.47Å |
| 765 | T | 88.4 | Confident | 86.6 | Confident | 12 Ų | 12 | 20.7 Ų | 20.7 | 7% | 0.074 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.3 | -42.1 | 176.8 | -54.8 | 0 | 0 | 0 | 0 | 112.5 | M744 I748 A761 I762 S767 M768 A769 | M744-T765 HydrophobicContact CE-CG2 4.18Å; I748-T765 HydrophobicContact CD1-CG2 3.91Å; I748-T765 HydrophobicContact CG1-CG2 3.59Å; I748-T765 WeakPolarHBondContact CG1-OG1 3.34Å; A761-T765 PolarHBondContact O-N 3Å; A761-T765 PolarHBondContact O-OG1 2.84Å; A761-T765 VanDerWaalsContact O-OG1 3.12Å; I762-T765 PolarHBondContact O-N 3.18Å; T765-S767 VanDerWaalsContact C-N 3.3Å; T765-S767 PolarHBondContact O-N 3.14Å; T765-M768 WeakPolarHBondContact O-CB 3.41Å; T765-M768 PolarHBondContact O-N 2.9Å; T765-A769 PolarHBondContact O-N 3.43Å |
| 766 | L | 90.9 | Very high | 87.5 | Confident | 111 Ų | 111 | 21.1 Ų | 21.1 | 58% | 0.581 | 13% | 0.126 | S | C | * | . | H | α-helix | trans | -65.4 | -35.8 | 175.4 | -70.7 | 174.9 | 0 | 0 | 0 | 111.9 | I762 V764 S770 | I762-L766 HydrophobicContact CG2-CD1 3.9Å; I762-L766 HydrophobicContact CG2-CG 4.27Å; I762-L766 WeakPolarHBondContact O-CB 3.41Å; I762-L766 VanDerWaalsContact O-CG 3.32Å; I762-L766 WeakPolarHBondContact O-CG 3.4Å; I762-L766 PolarHBondContact O-N 3.45Å; V764-L766 PolarHBondContact O-N 2.9Å; L766-S770 VanDerWaalsContact O-CB 3.26Å; L766-S770 WeakPolarHBondContact O-CB 3.41Å; L766-S770 PolarHBondContact O-N 3.47Å |
| 767 | S | 91.5 | Very high | 88.8 | Confident | 4 Ų | 4 | 20.5 Ų | 20.5 | 3% | 0.028 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -67 | -41.3 | 175.4 | -58.5 | 0 | 0 | 0 | 0 | 111.2 | C763 V764 T765 S770 I771 L879 | C763-S767 WeakPolarHBondContact O-CB 3.26Å; C763-S767 PolarHBondContact O-N 3.36Å; C763-S767 PolarHBondContact O-OG 3.39Å; V764-S767 WeakPolarHBondContact O-CB 3.21Å; V764-S767 PolarHBondContact O-N 3.31Å; T765-S767 VanDerWaalsContact C-N 3.3Å; T765-S767 PolarHBondContact O-N 3.14Å; S767-S770 WeakPolarHBondContact O-CB 3.35Å; S767-S770 PolarHBondContact O-N 2.89Å; S767-I771 WeakPolarHBondContact O-CD1 3.49Å; S767-I771 WeakPolarHBondContact O-CG1 3.48Å; S767-I771 PolarHBondContact O-N 3.37Å; S767-L879 WeakPolarHBondContact OG-CD1 3.2Å |
| 768 | M | 90.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.4 | -53.7 | 172.8 | 176.9 | -167.4 | 165.2 | 0 | 0 | 111.3 | M744 M747 V764 T765 S770 I771 D772 I798 V802 | M744-M768 HydrophobicContact CG-CE 3.7Å; M744-M768 HydrophobicContact CG-SD 4.05Å; M747-M768 HydrophobicContact CB-SD 3.96Å; M747-M768 HydrophobicContact CG-CE 4.39Å; M747-M768 HydrophobicContact CG-SD 3.6Å; M747-M768 VanDerWaalsContact CG-SD 3.6Å; V764-M768 PolarHBondContact O-N 2.86Å; T765-M768 WeakPolarHBondContact O-CB 3.41Å; T765-M768 PolarHBondContact O-N 2.9Å; M768-S770 PolarHBondContact O-N 3.3Å; M768-I771 PolarHBondContact O-N 2.88Å; M768-D772 PolarHBondContact O-N 2.84Å; M768-I798 HydrophobicContact CE-CB 3.94Å; M768-I798 HydrophobicContact CE-CG1 3.79Å; M768-I798 HydrophobicContact CE-CG2 3.44Å; M768-I798 VanDerWaalsContact CE-CG2 3.44Å; M768-V802 HydrophobicContact CB-CG2 4.26Å; M768-V802 HydrophobicContact CG-CG2 4Å; M768-V802 HydrophobicContact SD-CG2 3.83Å |
| 769 | A | 92.1 | Very high | 90.5 | Very high | 30 Ų | 30 | 20.1 Ų | 20.1 | 25% | 0.248 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -56.5 | -38.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | M744 T765 A773 | M744-A769 HydrophobicContact CE-CB 3.66Å; M744-A769 HydrophobicContact SD-CB 4.21Å; T765-A769 PolarHBondContact O-N 3.43Å; A769-A773 WeakPolarHBondContact O-CB 3.22Å; A769-A773 PolarHBondContact O-N 3.28Å |
| 770 | S | 94.8 | Very high | 91.2 | Very high | 6 Ų | 6 | 19.1 Ų | 19.1 | 4% | 0.042 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64.3 | -46.5 | 174.9 | -178.1 | 0 | 0 | 0 | 0 | 111.8 | Y534 Y537 L766 S767 M768 A773 G774 H874 | Y534-S770 VanDerWaalsContact CE2-OG 3.23Å; Y534-S770 WeakPolarHBondContact CE2-OG 3.31Å; Y534-S770 WeakPolarHBondContact OH-CB 3.38Å; Y534-S770 PolarHBondContact OH-OG 2.88Å; Y537-S770 PolarHBondContact OH-O 3.23Å; L766-S770 VanDerWaalsContact O-CB 3.26Å; L766-S770 WeakPolarHBondContact O-CB 3.41Å; L766-S770 PolarHBondContact O-N 3.47Å; S767-S770 WeakPolarHBondContact O-CB 3.35Å; S767-S770 PolarHBondContact O-N 2.89Å; M768-S770 PolarHBondContact O-N 3.3Å; S770-A773 PolarHBondContact O-N 3Å; S770-G774 PolarHBondContact O-N 2.71Å; S770-H874 PolarHBondContact OG-NE2 3.31Å |
| 771 | I | 94 | Very high | 91.8 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.4 | -49.8 | 177.6 | -65.2 | 157.4 | 0 | 0 | 0 | 110.1 | S767 M768 A773 G774 V775 I870 H874 | S767-I771 WeakPolarHBondContact O-CD1 3.49Å; S767-I771 WeakPolarHBondContact O-CG1 3.48Å; S767-I771 PolarHBondContact O-N 3.37Å; M768-I771 PolarHBondContact O-N 2.88Å; I771-A773 PolarHBondContact O-N 2.92Å; I771-G774 CarbonylContact O-C 3.54Å; I771-G774 WeakPolarHBondContact O-CA 3.24Å; I771-G774 PolarHBondContact O-N 2.84Å; I771-G774 VanDerWaalsContact O-N 3.08Å; I771-V775 HydrophobicContact CG2-CG2 4.13Å; I771-V775 WeakPolarHBondContact O-CG2 3.4Å; I771-V775 PolarHBondContact O-N 2.97Å; I771-I870 HydrophobicContact CB-CG2 4.21Å; I771-I870 HydrophobicContact CG1-CG2 4.05Å; I771-I870 HydrophobicContact CG2-CB 4.47Å; I771-I870 HydrophobicContact CG2-CG2 3.93Å; I771-H874 HydrophobicContact CD1-CB 3.67Å; I771-H874 HydrophobicContact CG1-CB 3.86Å |
| 772 | D | 92.3 | Very high | 92.3 | Very high | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.8 | -42.2 | -177.9 | -66.9 | -36.1 | 0 | 0 | 0 | 111.8 | L740 M768 G774 V775 I776 S797 | L740-D772 HydrophobicContact CD1-CB 3.64Å; L740-D772 WeakPolarHBondContact CD1-OD2 3.24Å; M768-D772 PolarHBondContact O-N 2.84Å; D772-G774 VanDerWaalsContact C-N 3.29Å; D772-G774 PolarHBondContact O-N 2.88Å; D772-V775 PolarHBondContact O-N 3.41Å; D772-I776 VanDerWaalsContact O-CG1 3.31Å; D772-I776 WeakPolarHBondContact O-CG1 3.19Å; D772-I776 PolarHBondContact O-N 2.87Å; D772-S797 WeakPolarHBondContact OD1-CB 3.39Å; D772-S797 PolarHBondContact OD1-OG 2.89Å |
| 773 | A | 93.4 | Very high | 92.5 | Very high | 30 Ų | 30 | 27.6 Ų | 27.6 | 25% | 0.248 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.2 | -40 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112 | C545 A769 S770 I771 G777 | C545-A773 PolarHBondContact SG-O 3.44Å; A769-A773 WeakPolarHBondContact O-CB 3.22Å; A769-A773 PolarHBondContact O-N 3.28Å; S770-A773 PolarHBondContact O-N 3Å; I771-A773 PolarHBondContact O-N 2.92Å; A773-G777 PolarHBondContact O-N 3.06Å |
| 774 | G | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.8 | -47.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y537 S770 I771 D772 I776 G777 Y778 | Y537-G774 WeakPolarHBondContact OH-CA 3.39Å; S770-G774 PolarHBondContact O-N 2.71Å; I771-G774 CarbonylContact O-C 3.54Å; I771-G774 WeakPolarHBondContact O-CA 3.24Å; I771-G774 PolarHBondContact O-N 2.84Å; I771-G774 VanDerWaalsContact O-N 3.08Å; D772-G774 VanDerWaalsContact C-N 3.29Å; D772-G774 PolarHBondContact O-N 2.88Å; G774-I776 VanDerWaalsContact C-N 3.35Å; G774-I776 PolarHBondContact O-N 3.44Å; G774-G777 PolarHBondContact O-N 3.22Å; G774-Y778 WeakPolarHBondContact O-CB 3.49Å; G774-Y778 WeakPolarHBondContact O-CD2 3.36Å; G774-Y778 PolarHBondContact O-N 3.29Å |
| 775 | V | 94.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.4 | -47.9 | -179.6 | 174.5 | 0 | 0 | 0 | 0 | 109.6 | I771 D772 M779 L794 T863 I867 I870 | I771-V775 HydrophobicContact CG2-CG2 4.13Å; I771-V775 WeakPolarHBondContact O-CG2 3.4Å; I771-V775 PolarHBondContact O-N 2.97Å; D772-V775 PolarHBondContact O-N 3.41Å; V775-M779 WeakPolarHBondContact O-CB 3.49Å; V775-M779 PolarHBondContact O-N 3.08Å; V775-L794 HydrophobicContact CB-CD2 4.4Å; V775-L794 HydrophobicContact CG1-CD2 3.69Å; V775-T863 HydrophobicContact CG1-CG2 3.8Å; V775-I867 HydrophobicContact CG1-CG1 3.89Å; V775-I867 HydrophobicContact CG2-CB 4.45Å; V775-I867 HydrophobicContact CG2-CG1 3.77Å; V775-I870 HydrophobicContact CG2-CD1 4.14Å |
| 776 | I | 93.9 | Very high | 92.6 | Very high | 13 Ų | 13 | 27.6 Ų | 27.6 | 7% | 0.067 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.8 | -49.9 | 176.8 | -65.5 | 167.9 | 0 | 0 | 0 | 110.7 | I548 D772 G774 M779 T780 I786 L794 | I548-I776 HydrophobicContact CD1-CG2 4.04Å; I548-I776 HydrophobicContact CG1-CG2 4.38Å; D772-I776 VanDerWaalsContact O-CG1 3.31Å; D772-I776 WeakPolarHBondContact O-CG1 3.19Å; D772-I776 PolarHBondContact O-N 2.87Å; G774-I776 VanDerWaalsContact C-N 3.35Å; G774-I776 PolarHBondContact O-N 3.44Å; I776-M779 PolarHBondContact O-N 3.39Å; I776-T780 WeakPolarHBondContact O-CG2 3.37Å; I776-T780 PolarHBondContact O-N 3.38Å; I776-T780 PolarHBondContact O-OG1 3.11Å; I776-I786 HydrophobicContact CG2-CD1 4.16Å; I776-L794 HydrophobicContact CG1-CD1 4.11Å; I776-L794 HydrophobicContact CG1-CD2 3.68Å |
| 777 | G | 94.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.9 | -40.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | A541 G544 A773 G774 T780 M781 | A541-G777 WeakPolarHBondContact O-CA 3.32Å; G544-G777 WeakPolarHBondContact CA-O 3.23Å; A773-G777 PolarHBondContact O-N 3.06Å; G774-G777 PolarHBondContact O-N 3.22Å; G777-T780 PolarHBondContact O-OG1 3.22Å; G777-M781 WeakPolarHBondContact O-CG 3.3Å; G777-M781 PolarHBondContact O-N 3.4Å |
| 778 | Y | 95.9 | Very high | 92.4 | Very high | 64 Ų | 64 | 22.1 Ų | 22.1 | 25% | 0.251 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -76.3 | -28.6 | 177.1 | -74.3 | -69.9 | 0 | 0 | 0 | 112.3 | Y537 A540 A541 G774 M781 W782 I870 | Y537-Y778 AromaticContact CD2-CE2 3.65Å; Y537-Y778 HydrophobicContact CD2-CE2 3.65Å; Y537-Y778 HydrophobicContact CE2-CD2 4.31Å; Y537-Y778 AromaticContact CE2-CE2 3.61Å; Y537-Y778 HydrophobicContact CE2-CE2 3.61Å; A540-Y778 HydrophobicContact CB-CE1 4.27Å; A540-Y778 WeakPolarHBondContact CB-OH 3.37Å; A541-Y778 HydrophobicContact CB-CE2 4.47Å; G774-Y778 WeakPolarHBondContact O-CB 3.49Å; G774-Y778 WeakPolarHBondContact O-CD2 3.36Å; G774-Y778 PolarHBondContact O-N 3.29Å; Y778-M781 HydrophobicContact CD1-SD 4.38Å; Y778-M781 PolarHBondContact O-N 3.42Å; Y778-W782 WeakPolarHBondContact O-CB 3.47Å; Y778-W782 PolarHBondContact O-N 2.9Å; Y778-I870 HydrophobicContact CD2-CD1 3.94Å |
| 779 | M | 93.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.8 | -47 | 174.2 | 177.9 | 178 | 85.9 | 0 | 0 | 110.9 | V775 I776 W782 G783 L784 I786 T790 L794 T863 L866 | V775-M779 WeakPolarHBondContact O-CB 3.49Å; V775-M779 PolarHBondContact O-N 3.08Å; I776-M779 PolarHBondContact O-N 3.39Å; M779-W782 CarbonylContact O-C 3.46Å; M779-W782 PolarHBondContact O-N 3.41Å; M779-W782 VanDerWaalsContact O-N 3.11Å; M779-G783 PolarHBondContact O-N 2.84Å; M779-L784 HydrophobicContact CG-CB 3.46Å; M779-L784 VanDerWaalsContact CG-CB 3.46Å; M779-L784 HydrophobicContact CG-CD1 3.79Å; M779-L784 HydrophobicContact CG-CG 4.23Å; M779-L784 WeakPolarHBondContact O-CB 3.41Å; M779-L784 PolarHBondContact O-N 3.25Å; M779-L784 VanDerWaalsContact O-N 3.08Å; M779-L784 HydrophobicContact SD-CB 4.47Å; M779-I786 HydrophobicContact CE-CG1 3.62Å; M779-T790 HydrophobicContact CE-CG2 4.37Å; M779-T790 HydrophobicContact SD-CG2 3.72Å; M779-L794 HydrophobicContact CE-CD1 4.32Å; M779-T863 HydrophobicContact SD-CG2 4.22Å; M779-L866 HydrophobicContact CB-CD1 4.19Å |
| 780 | T | 92.4 | Very high | 92.3 | Very high | 16 Ų | 16 | 20.9 Ų | 20.9 | 10% | 0.098 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.8 | -41.4 | 177.1 | 59.1 | 0 | 0 | 0 | 0 | 111.6 | G544 I548 I776 G777 W782 G783 | G544-T780 VanDerWaalsContact C-OG1 3.3Å; G544-T780 PolarHBondContact O-OG1 3.46Å; I548-T780 HydrophobicContact CB-CG2 4.24Å; I548-T780 HydrophobicContact CG1-CG2 3.69Å; I776-T780 WeakPolarHBondContact O-CG2 3.37Å; I776-T780 PolarHBondContact O-N 3.38Å; I776-T780 PolarHBondContact O-OG1 3.11Å; G777-T780 PolarHBondContact O-OG1 3.22Å; T780-W782 PolarHBondContact O-N 3.02Å; T780-G783 PolarHBondContact O-N 3.29Å |
| 781 | M | 93.1 | Very high | 92.2 | Very high | 105 Ų | 105 | 20.6 Ų | 20.6 | 52% | 0.517 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -64.1 | -27.1 | 173.5 | -71.1 | -179 | 63.2 | 0 | 0 | 113.1 | Y543 G777 Y778 G783 | Y543-M781 HydrophobicContact CD1-SD 4.41Å; G777-M781 WeakPolarHBondContact O-CG 3.3Å; G777-M781 PolarHBondContact O-N 3.4Å; Y778-M781 HydrophobicContact CD1-SD 4.38Å; Y778-M781 PolarHBondContact O-N 3.42Å; M781-G783 PolarHBondContact O-N 3.31Å |
| 782 | W | 93.5 | Very high | 92.1 | Very high | 116 Ų | 116 | 20.7 Ų | 20.7 | 44% | 0.439 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 8.5 | 174.4 | -149.6 | -8.2 | 0 | 0 | 0 | 113.4 | Y778 M779 T780 K862 L865 L866 | Y778-W782 WeakPolarHBondContact O-CB 3.47Å; Y778-W782 PolarHBondContact O-N 2.9Å; M779-W782 CarbonylContact O-C 3.46Å; M779-W782 PolarHBondContact O-N 3.41Å; M779-W782 VanDerWaalsContact O-N 3.11Å; T780-W782 PolarHBondContact O-N 3.02Å; W782-K862 HydrophobicContact CD2-CB 4.2Å; W782-K862 HydrophobicContact CD2-CD 3.92Å; W782-K862 HydrophobicContact CD2-CG 4.03Å; W782-K862 HydrophobicContact CE3-CB 3.8Å; W782-K862 HydrophobicContact CE3-CD 4.38Å; W782-K862 HydrophobicContact CE3-CG 4.08Å; W782-K862 HydrophobicContact CG-CD 4.15Å; W782-K862 HydrophobicContact CH2-CB 4.2Å; W782-K862 HydrophobicContact CH2-CG 3.99Å; W782-K862 HydrophobicContact CZ2-CD 4.41Å; W782-K862 HydrophobicContact CZ2-CG 3.92Å; W782-K862 HydrophobicContact CZ3-CB 3.81Å; W782-K862 HydrophobicContact CZ3-CG 4.06Å; W782-K862 WeakPolarHBondContact CZ3-O 3.27Å; W782-L865 HydrophobicContact CH2-CD1 4.43Å; W782-L866 HydrophobicContact CE3-CD1 3.95Å; W782-L866 HydrophobicContact CE3-CD2 4.02Å; W782-L866 HydrophobicContact CE3-CG 3.88Å; W782-L866 HydrophobicContact CZ3-CD1 4.43Å; W782-L866 HydrophobicContact CZ3-CD2 3.99Å; W782-L866 HydrophobicContact CZ3-CG 3.86Å |
| 783 | G | 89.9 | Confident | 92 | Very high | 58 Ų | 58 | 20.6 Ų | 20.6 | 60% | 0.598 | 12% | 0.115 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78 | 20.2 | 175 | 0 | 0 | 0 | 0 | 0 | 114.3 | M779 T780 M781 | M779-G783 PolarHBondContact O-N 2.84Å; T780-G783 PolarHBondContact O-N 3.29Å; M781-G783 PolarHBondContact O-N 3.31Å |
| 784 | L | 90.6 | Very high | 91.9 | Very high | 4 Ų | 4 | 19.7 Ų | 19.7 | 2% | 0.021 | 11% | 0.106 | C | C | . | . | trans | -94.9 | 136.9 | 175 | -63.6 | 175.4 | 0 | 0 | 0 | 110.2 | M779 Y855 A859 K862 | M779-L784 HydrophobicContact CG-CB 3.46Å; M779-L784 VanDerWaalsContact CG-CB 3.46Å; M779-L784 HydrophobicContact CG-CD1 3.79Å; M779-L784 HydrophobicContact CG-CG 4.23Å; M779-L784 WeakPolarHBondContact O-CB 3.41Å; M779-L784 PolarHBondContact O-N 3.25Å; M779-L784 VanDerWaalsContact O-N 3.08Å; M779-L784 HydrophobicContact SD-CB 4.47Å; L784-Y855 HydrophobicContact CD2-CE2 3.78Å; L784-A859 HydrophobicContact CD1-CB 4.44Å; L784-A859 HydrophobicContact CD2-CB 3.72Å; L784-K862 HydrophobicContact CD1-CB 3.81Å; L784-K862 HydrophobicContact CD1-CD 4.02Å; L784-K862 HydrophobicContact CD2-CD 4.25Å; L784-K862 HydrophobicContact CG-CD 4.29Å | ||
| 785 | S | 88.4 | Confident | 91.7 | Very high | 18 Ų | 18 | 19.9 Ų | 19.9 | 13% | 0.126 | 11% | 0.106 | C | C | . | . | trans | -84.7 | 153.7 | 172.9 | 41.5 | 0 | 0 | 0 | 0 | 111.1 | K549 G551 D787 T790 Y855 | K549-S785 CarbonylContact O-C 3.6Å; K549-S785 WeakPolarHBondContact O-CA 3.18Å; K549-S785 WeakPolarHBondContact O-CB 3.24Å; G551-S785 PolarHBondContact O-OG 2.98Å; S785-D787 PolarHBondContact O-N 3.35Å; S785-D787 PolarHBondContact OG-OD2 3.25Å; S785-T790 WeakPolarHBondContact O-CG2 3.24Å; S785-T790 PolarHBondContact O-OG1 3.17Å; S785-Y855 PolarHBondContact OG-OH 3.16Å | ||
| 786 | I | 89.4 | Confident | 91.3 | Very high | 2 Ų | 2 | 19.9 Ų | 19.9 | 1% | 0.01 | 11% | 0.106 | C | C | . | . | B | Isolated β-bridge | trans | -77.8 | 110.5 | 166.7 | -61.4 | -172.4 | 0 | 0 | 0 | 107.7 | I548 K549 G551 V732 L733 V736 I776 M779 | I548-I786 HydrophobicContact CB-CD1 4.34Å; I548-I786 HydrophobicContact CD1-CD1 3.85Å; I548-I786 HydrophobicContact CG1-CD1 3.93Å; I548-I786 HydrophobicContact CG2-CB 4.35Å; I548-I786 HydrophobicContact CG2-CD1 3.45Å; I548-I786 VanDerWaalsContact CG2-CD1 3.45Å; I548-I786 HydrophobicContact CG2-CG1 3.85Å; K549-I786 PolarHBondContact O-N 3.15Å; G551-I786 PolarHBondContact N-O 2.96Å; V732-I786 HydrophobicContact CG1-CG2 3.76Å; L733-I786 HydrophobicContact CD1-CD1 3.94Å; V736-I786 HydrophobicContact CG2-CG2 4.04Å; I776-I786 HydrophobicContact CG2-CD1 4.16Å; M779-I786 HydrophobicContact CE-CG1 3.62Å |
| 787 | D | 89.2 | Confident | 90.9 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.103 | C | C | . | . | trans | -142.2 | 178.6 | -174.9 | 58.8 | 40.2 | 0 | 0 | 0 | 110.6 | L552 S785 I789 T790 M791 Y855 | L552-D787 HydrophobicContact CB-CB 3.9Å; L552-D787 HydrophobicContact CD1-CB 4.12Å; S785-D787 PolarHBondContact O-N 3.35Å; S785-D787 PolarHBondContact OG-OD2 3.25Å; D787-I789 PolarHBondContact O-N 3.02Å; D787-I789 WeakPolarHBondContact OD1-CA 3.48Å; D787-I789 WeakPolarHBondContact OD1-CB 3.38Å; D787-I789 PolarHBondContact OD1-N 3.15Å; D787-T790 PolarHBondContact N-OG1 2.77Å; D787-T790 PolarHBondContact O-N 3Å; D787-T790 PolarHBondContact O-OG1 3.29Å; D787-T790 VanDerWaalsContact O-OG1 3.12Å; D787-T790 PolarHBondContact OD1-N 3.49Å; D787-T790 PolarHBondContact OD1-OG1 2.83Å; D787-M791 VanDerWaalsContact O-CB 3.23Å; D787-M791 WeakPolarHBondContact O-CB 3.34Å; D787-M791 PolarHBondContact O-N 2.9Å; D787-Y855 WeakPolarHBondContact OD2-CE1 3.41Å; D787-Y855 PolarHBondContact OD2-OH 3.29Å | ||
| 788 | C | 89 | Confident | 90.4 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.2 | -29.1 | -179.9 | -175.5 | 0 | 0 | 0 | 0 | 113.2 | Y67 V419 I792 | Y67-C788 HydrophobicContact CD1-CB 4.3Å; V419-C788 WeakPolarHBondContact CG2-SG 3.41Å; C788-I792 WeakPolarHBondContact O-CG1 3.26Å; C788-I792 PolarHBondContact O-N 2.79Å |
| 789 | I | 89.7 | Confident | 89.7 | Confident | 3 Ų | 3 | 16.5 Ų | 16.5 | 2% | 0.015 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -79.4 | -48.1 | -177.3 | -61.3 | 163.8 | 0 | 0 | 0 | 109.8 | L552 L557 D787 M791 I792 T793 Y855 M856 | L552-I789 HydrophobicContact CD1-CD1 4.09Å; L552-I789 HydrophobicContact CD2-CD1 4.16Å; L557-I789 HydrophobicContact CD2-CD1 4.2Å; D787-I789 PolarHBondContact O-N 3.02Å; D787-I789 WeakPolarHBondContact OD1-CA 3.48Å; D787-I789 WeakPolarHBondContact OD1-CB 3.38Å; D787-I789 PolarHBondContact OD1-N 3.15Å; I789-M791 VanDerWaalsContact C-N 3.29Å; I789-M791 PolarHBondContact O-N 3.49Å; I789-I792 WeakPolarHBondContact O-CB 3.3Å; I789-I792 PolarHBondContact O-N 3.22Å; I789-T793 PolarHBondContact O-N 3.39Å; I789-Y855 HydrophobicContact CD1-CD1 4.43Å; I789-Y855 HydrophobicContact CD1-CE1 4.45Å; I789-M856 HydrophobicContact CD1-CB 3.93Å; I789-M856 HydrophobicContact CD1-CG 3.87Å; I789-M856 HydrophobicContact CG1-CG 4.3Å; I789-M856 HydrophobicContact CG2-CG 4.01Å |
| 790 | T | 91.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -66.7 | -31.4 | 176 | 51.4 | 0 | 0 | 0 | 0 | 111.8 | M779 S785 D787 I792 T793 L794 A859 | M779-T790 HydrophobicContact CE-CG2 4.37Å; M779-T790 HydrophobicContact SD-CG2 3.72Å; S785-T790 WeakPolarHBondContact O-CG2 3.24Å; S785-T790 PolarHBondContact O-OG1 3.17Å; D787-T790 PolarHBondContact N-OG1 2.77Å; D787-T790 PolarHBondContact O-N 3Å; D787-T790 PolarHBondContact O-OG1 3.29Å; D787-T790 VanDerWaalsContact O-OG1 3.12Å; D787-T790 PolarHBondContact OD1-N 3.49Å; D787-T790 PolarHBondContact OD1-OG1 2.83Å; T790-I792 VanDerWaalsContact C-N 3.31Å; T790-I792 PolarHBondContact O-N 2.88Å; T790-T793 WeakPolarHBondContact CA-OG1 3.34Å; T790-T793 CarbonylContact O-C 3.55Å; T790-T793 PolarHBondContact O-N 3.45Å; T790-T793 VanDerWaalsContact O-N 3.15Å; T790-T793 PolarHBondContact O-OG1 3.18Å; T790-L794 VanDerWaalsContact O-CG 3.31Å; T790-L794 WeakPolarHBondContact O-CG 3.29Å; T790-L794 PolarHBondContact O-N 2.93Å; T790-A859 HydrophobicContact CG2-CB 4.37Å |
| 791 | M | 91.7 | Very high | 88.6 | Confident | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -56.8 | -43.3 | 169.9 | -178.1 | 170.3 | 78.8 | 0 | 0 | 111.6 | T414 F416 V419 N735 V736 D787 I789 T793 L794 I795 | T414-M791 HydrophobicContact CG2-CE 4.45Å; F416-M791 HydrophobicContact CB-CE 4.18Å; F416-M791 HydrophobicContact CD2-CE 3.59Å; F416-M791 HydrophobicContact CD2-SD 4.48Å; F416-M791 HydrophobicContact CE2-CE 4.26Å; F416-M791 HydrophobicContact CG-CE 4.1Å; V419-M791 HydrophobicContact CB-CE 3.91Å; V419-M791 HydrophobicContact CG1-CE 4Å; V419-M791 HydrophobicContact CG2-CE 3.17Å; N735-M791 HydrophobicContact CB-SD 4.12Å; V736-M791 HydrophobicContact CG2-CB 3.95Å; V736-M791 HydrophobicContact CG2-CG 3.66Å; V736-M791 HydrophobicContact CG2-SD 3.89Å; D787-M791 VanDerWaalsContact O-CB 3.23Å; D787-M791 WeakPolarHBondContact O-CB 3.34Å; D787-M791 PolarHBondContact O-N 2.9Å; I789-M791 VanDerWaalsContact C-N 3.29Å; I789-M791 PolarHBondContact O-N 3.49Å; M791-T793 VanDerWaalsContact C-N 3.34Å; M791-T793 PolarHBondContact O-N 3.05Å; M791-L794 PolarHBondContact O-N 3.25Å; M791-I795 HydrophobicContact CG-CD1 4.16Å; M791-I795 WeakPolarHBondContact O-CG1 3.42Å; M791-I795 PolarHBondContact O-N 3.04Å |
| 792 | I | 91.5 | Very high | 88 | Confident | 2 Ų | 2 | 11 Ų | 11 | 1% | 0.01 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -60.3 | -44.4 | 175.5 | -69.4 | 167.9 | 0 | 0 | 0 | 111.1 | V350 V419 F422 C788 I789 T790 L794 I795 M796 | V350-I792 HydrophobicContact CB-CD1 4.48Å; V350-I792 HydrophobicContact CG1-CD1 3.47Å; V350-I792 VanDerWaalsContact CG1-CD1 3.47Å; V419-I792 HydrophobicContact CB-CG1 4.14Å; V419-I792 HydrophobicContact CG1-CG1 4.12Å; V419-I792 HydrophobicContact CG2-CD1 3.87Å; V419-I792 HydrophobicContact CG2-CG1 3.52Å; F422-I792 HydrophobicContact CB-CD1 4.18Å; F422-I792 HydrophobicContact CD1-CG2 3.35Å; F422-I792 HydrophobicContact CD2-CG2 4.04Å; F422-I792 HydrophobicContact CE1-CG2 3.34Å; F422-I792 HydrophobicContact CE2-CG2 4.02Å; F422-I792 HydrophobicContact CG-CD1 4.37Å; F422-I792 HydrophobicContact CG-CG2 3.71Å; F422-I792 HydrophobicContact CZ-CG2 3.68Å; C788-I792 WeakPolarHBondContact O-CG1 3.26Å; C788-I792 PolarHBondContact O-N 2.79Å; I789-I792 WeakPolarHBondContact O-CB 3.3Å; I789-I792 PolarHBondContact O-N 3.22Å; T790-I792 VanDerWaalsContact C-N 3.31Å; T790-I792 PolarHBondContact O-N 2.88Å; I792-L794 VanDerWaalsContact C-N 3.33Å; I792-L794 PolarHBondContact O-N 3.05Å; I792-I795 PolarHBondContact O-N 3.35Å; I792-M796 HydrophobicContact CG2-SD 4.18Å; I792-M796 WeakPolarHBondContact O-CG 3.23Å; I792-M796 PolarHBondContact O-N 3.28Å |
| 793 | T | 90.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -70.3 | -29.3 | 177.6 | 51.9 | 0 | 0 | 0 | 0 | 113.3 | I789 T790 M791 M796 S797 F860 T863 I867 | I789-T793 PolarHBondContact O-N 3.39Å; T790-T793 WeakPolarHBondContact CA-OG1 3.34Å; T790-T793 CarbonylContact O-C 3.55Å; T790-T793 PolarHBondContact O-N 3.45Å; T790-T793 VanDerWaalsContact O-N 3.15Å; T790-T793 PolarHBondContact O-OG1 3.18Å; M791-T793 VanDerWaalsContact C-N 3.34Å; M791-T793 PolarHBondContact O-N 3.05Å; T793-M796 HydrophobicContact CG2-CE 4.31Å; T793-M796 HydrophobicContact CG2-SD 4.24Å; T793-M796 WeakPolarHBondContact O-CB 3.38Å; T793-M796 PolarHBondContact O-N 2.96Å; T793-S797 PolarHBondContact O-N 3.2Å; T793-F860 HydrophobicContact CG2-CB 4.31Å; T793-F860 HydrophobicContact CG2-CD2 3.24Å; T793-F860 HydrophobicContact CG2-CE2 3.77Å; T793-F860 HydrophobicContact CG2-CG 3.87Å; T793-T863 VanDerWaalsContact OG1-CG2 3.32Å; T793-T863 WeakPolarHBondContact OG1-CG2 3.46Å; T793-I867 WeakPolarHBondContact O-CD1 3.48Å |
| 794 | L | 91.3 | Very high | 87.6 | Confident | 12 Ų | 12 | 3.2 Ų | 3.2 | 6% | 0.063 | 2% | 0.018 | C | C | . | . | H | α-helix | trans | -69 | -39.8 | 172.2 | -71.5 | 173.7 | 0 | 0 | 0 | 111.4 | V736 V775 I776 M779 T790 M791 I792 M796 S797 I798 | V736-L794 HydrophobicContact CG1-CD1 3.89Å; V775-L794 HydrophobicContact CB-CD2 4.4Å; V775-L794 HydrophobicContact CG1-CD2 3.69Å; I776-L794 HydrophobicContact CG1-CD1 4.11Å; I776-L794 HydrophobicContact CG1-CD2 3.68Å; M779-L794 HydrophobicContact CE-CD1 4.32Å; T790-L794 VanDerWaalsContact O-CG 3.31Å; T790-L794 WeakPolarHBondContact O-CG 3.29Å; T790-L794 PolarHBondContact O-N 2.93Å; M791-L794 PolarHBondContact O-N 3.25Å; I792-L794 VanDerWaalsContact C-N 3.33Å; I792-L794 PolarHBondContact O-N 3.05Å; L794-M796 VanDerWaalsContact C-N 3.26Å; L794-M796 PolarHBondContact O-N 3.49Å; L794-S797 WeakPolarHBondContact O-CA 3.37Å; L794-S797 WeakPolarHBondContact O-CB 3.42Å; L794-S797 PolarHBondContact O-N 3.23Å; L794-I798 PolarHBondContact O-N 3.16Å |
| 795 | I | 89.8 | Confident | 87.5 | Confident | 3 Ų | 3 | 3 Ų | 3 | 2% | 0.015 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -60.1 | -40.5 | 171.9 | -67.7 | 163.9 | 0 | 0 | 0 | 110.4 | F408 V419 E739 M791 I792 S797 I798 | F408-I795 HydrophobicContact CD1-CG2 4.03Å; F408-I795 HydrophobicContact CE1-CG2 4.19Å; V419-I795 HydrophobicContact CG1-CD1 3.54Å; E739-I795 HydrophobicContact CB-CG1 4.34Å; E739-I795 HydrophobicContact CG-CD1 4.33Å; E739-I795 HydrophobicContact CG-CG1 4.29Å; M791-I795 HydrophobicContact CG-CD1 4.16Å; M791-I795 WeakPolarHBondContact O-CG1 3.42Å; M791-I795 PolarHBondContact O-N 3.04Å; I792-I795 PolarHBondContact O-N 3.35Å; I795-S797 VanDerWaalsContact C-N 3.32Å; I795-S797 PolarHBondContact O-N 3.25Å; I795-I798 WeakPolarHBondContact O-CB 3.49Å; I795-I798 PolarHBondContact O-N 3.31Å |
| 796 | M | 86.5 | Confident | 87.4 | Confident | 0 Ų | 0 | 2.5 Ų | 2.5 | 0% | 0 | 1% | 0.013 | C | C | . | . | H | α-helix | trans | -65.8 | -32.8 | 173.2 | -66.6 | 159.8 | 36.5 | 0 | 0 | 113.2 | L357 F408 F422 I792 T793 L794 I798 G799 F800 F860 V864 | L357-M796 HydrophobicContact CD1-CE 3.24Å; L357-M796 HydrophobicContact CD1-CG 4.41Å; L357-M796 HydrophobicContact CD1-SD 3.33Å; L357-M796 WeakPolarHBondContact CD1-SD 3.3Å; L357-M796 HydrophobicContact CD2-CE 3.58Å; L357-M796 HydrophobicContact CG-CE 4Å; F408-M796 HydrophobicContact CE1-CG 3.89Å; F408-M796 HydrophobicContact CZ-CG 3.97Å; F422-M796 HydrophobicContact CE1-CG 4.15Å; F422-M796 HydrophobicContact CE1-SD 4.07Å; F422-M796 HydrophobicContact CZ-CG 4.42Å; F422-M796 HydrophobicContact CZ-SD 3.82Å; I792-M796 HydrophobicContact CG2-SD 4.18Å; I792-M796 WeakPolarHBondContact O-CG 3.23Å; I792-M796 PolarHBondContact O-N 3.28Å; T793-M796 HydrophobicContact CG2-CE 4.31Å; T793-M796 HydrophobicContact CG2-SD 4.24Å; T793-M796 WeakPolarHBondContact O-CB 3.38Å; T793-M796 PolarHBondContact O-N 2.96Å; L794-M796 VanDerWaalsContact C-N 3.26Å; L794-M796 PolarHBondContact O-N 3.49Å; M796-I798 PolarHBondContact O-N 3.34Å; M796-G799 PolarHBondContact O-N 3.13Å; M796-F800 HydrophobicContact CB-CD2 4.36Å; M796-F800 HydrophobicContact CB-CE2 4.12Å; M796-F800 HydrophobicContact CE-CE2 3.82Å; M796-F800 WeakPolarHBondContact O-CG 3.47Å; M796-F800 PolarHBondContact O-N 2.63Å; M796-F860 HydrophobicContact CE-CE2 4.15Å; M796-F860 HydrophobicContact CE-CZ 4.09Å; M796-F860 HydrophobicContact SD-CE2 3.91Å; M796-F860 HydrophobicContact SD-CZ 4.29Å; M796-V864 HydrophobicContact CE-CG2 3.66Å |
| 797 | S | 85.7 | Confident | 87.2 | Confident | 0 Ų | 0 | 2.8 Ų | 2.8 | 0% | 0 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -54.8 | -42.3 | 174.5 | -175 | 0 | 0 | 0 | 0 | 110.6 | D772 T793 L794 I795 G799 F800 S801 | D772-S797 WeakPolarHBondContact OD1-CB 3.39Å; D772-S797 PolarHBondContact OD1-OG 2.89Å; T793-S797 PolarHBondContact O-N 3.2Å; L794-S797 WeakPolarHBondContact O-CA 3.37Å; L794-S797 WeakPolarHBondContact O-CB 3.42Å; L794-S797 PolarHBondContact O-N 3.23Å; I795-S797 VanDerWaalsContact C-N 3.32Å; I795-S797 PolarHBondContact O-N 3.25Å; S797-G799 PolarHBondContact O-N 3.03Å; S797-F800 PolarHBondContact O-N 3.33Å; S797-S801 WeakPolarHBondContact O-CA 3.46Å; S797-S801 WeakPolarHBondContact O-CB 3.24Å; S797-S801 PolarHBondContact O-N 2.95Å; S797-S801 PolarHBondContact O-OG 3.47Å |
| 798 | I | 84.7 | Confident | 87.1 | Confident | 6 Ų | 6 | 2.9 Ų | 2.9 | 3% | 0.031 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -57 | -49.3 | 179.1 | -65.4 | 169.6 | 0 | 0 | 0 | 111.2 | E739 M768 L794 I795 M796 S801 V802 | E739-I798 WeakPolarHBondContact O-CD1 3.5Å; M768-I798 HydrophobicContact CE-CB 3.94Å; M768-I798 HydrophobicContact CE-CG1 3.79Å; M768-I798 HydrophobicContact CE-CG2 3.44Å; M768-I798 VanDerWaalsContact CE-CG2 3.44Å; L794-I798 PolarHBondContact O-N 3.16Å; I795-I798 WeakPolarHBondContact O-CB 3.49Å; I795-I798 PolarHBondContact O-N 3.31Å; M796-I798 PolarHBondContact O-N 3.34Å; I798-S801 PolarHBondContact O-OG 3.12Å; I798-V802 WeakPolarHBondContact O-CG2 3.31Å |
| 799 | G | 81.2 | Confident | 87 | Confident | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -66.1 | -56.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | D404 M796 S797 S801 V802 D803 | D404-G799 WeakPolarHBondContact OD1-CA 3.22Å; M796-G799 PolarHBondContact O-N 3.13Å; S797-G799 PolarHBondContact O-N 3.03Å; G799-S801 PolarHBondContact O-N 3.22Å; G799-V802 PolarHBondContact O-N 2.95Å; G799-D803 PolarHBondContact O-N 3.36Å |
| 800 | F | 82.5 | Confident | 86.7 | Confident | 4 Ų | 4 | 3.4 Ų | 3.4 | 2% | 0.018 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -72.7 | -31.1 | -170.8 | -60.1 | -15.7 | 0 | 0 | 0 | 114.1 | L357 V361 M430 M796 S797 V802 D803 I867 | L357-F800 HydrophobicContact CD2-CE2 4.4Å; V361-F800 HydrophobicContact CB-CE1 4.16Å; V361-F800 HydrophobicContact CB-CZ 4.29Å; V361-F800 HydrophobicContact CG1-CD1 4.03Å; V361-F800 HydrophobicContact CG1-CE1 3.77Å; V361-F800 HydrophobicContact CG1-CZ 4.4Å; V361-F800 HydrophobicContact CG2-CD1 4.11Å; V361-F800 HydrophobicContact CG2-CD2 4.15Å; V361-F800 HydrophobicContact CG2-CE1 3.69Å; V361-F800 HydrophobicContact CG2-CE2 3.68Å; V361-F800 HydrophobicContact CG2-CG 4.37Å; V361-F800 HydrophobicContact CG2-CZ 3.48Å; V361-F800 VanDerWaalsContact CG2-CZ 3.48Å; M430-F800 HydrophobicContact CE-CE1 4.08Å; M796-F800 HydrophobicContact CB-CD2 4.36Å; M796-F800 HydrophobicContact CB-CE2 4.12Å; M796-F800 HydrophobicContact CE-CE2 3.82Å; M796-F800 WeakPolarHBondContact O-CG 3.47Å; M796-F800 PolarHBondContact O-N 2.63Å; S797-F800 PolarHBondContact O-N 3.33Å; F800-V802 VanDerWaalsContact C-N 3.27Å; F800-V802 PolarHBondContact O-N 3.4Å; F800-D803 PolarHBondContact O-N 3.08Å; F800-I867 HydrophobicContact CB-CG2 4.14Å |
| 801 | S | 82 | Confident | 86.3 | Confident | 0 Ų | 0 | 3.4 Ų | 3.4 | 0% | 0 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -66.4 | -34.4 | 177.6 | 68.5 | 0 | 0 | 0 | 0 | 111.9 | S797 I798 G799 S805 | S797-S801 WeakPolarHBondContact O-CA 3.46Å; S797-S801 WeakPolarHBondContact O-CB 3.24Å; S797-S801 PolarHBondContact O-N 2.95Å; S797-S801 PolarHBondContact O-OG 3.47Å; I798-S801 PolarHBondContact O-OG 3.12Å; G799-S801 PolarHBondContact O-N 3.22Å; S801-S805 PolarHBondContact O-OG 2.96Å |
| 802 | V | 80.5 | Confident | 85.9 | Confident | 1 Ų | 1 | 3.7 Ų | 3.7 | 1% | 0.006 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -71 | -38.7 | 178.3 | 169.6 | 0 | 0 | 0 | 0 | 110.8 | T403 M747 M768 I798 G799 F800 F804 S805 A806 | T403-V802 HydrophobicContact CG2-CB 4.21Å; T403-V802 HydrophobicContact CG2-CG1 4.02Å; M747-V802 HydrophobicContact CE-CB 4.13Å; M747-V802 HydrophobicContact CE-CG1 3.17Å; M747-V802 HydrophobicContact CE-CG2 3.86Å; M747-V802 HydrophobicContact CG-CG2 3.83Å; M747-V802 HydrophobicContact SD-CB 4.23Å; M747-V802 HydrophobicContact SD-CG1 3.72Å; M747-V802 HydrophobicContact SD-CG2 3.78Å; M768-V802 HydrophobicContact CB-CG2 4.26Å; M768-V802 HydrophobicContact CG-CG2 4Å; M768-V802 HydrophobicContact SD-CG2 3.83Å; I798-V802 WeakPolarHBondContact O-CG2 3.31Å; G799-V802 PolarHBondContact O-N 2.95Å; F800-V802 VanDerWaalsContact C-N 3.27Å; F800-V802 PolarHBondContact O-N 3.4Å; V802-F804 PolarHBondContact O-N 2.85Å; V802-S805 PolarHBondContact O-N 3.37Å; V802-S805 VanDerWaalsContact O-N 3.09Å; V802-A806 HydrophobicContact CG1-CB 3.99Å; V802-A806 VanDerWaalsContact O-CB 3.24Å; V802-A806 WeakPolarHBondContact O-CB 3.43Å; V802-A806 PolarHBondContact O-N 3.18Å |
| 803 | D | 85.6 | Confident | 85.3 | Confident | 2 Ų | 2 | 4.6 Ų | 4.6 | 1% | 0.011 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -50.9 | -54.7 | -173.8 | -73.4 | -13.9 | 0 | 0 | 0 | 112.3 | R362 T400 G799 F800 S805 H807 | R362-D803 IonicContact NH2-OD2 3.68Å; T400-D803 WeakPolarHBondContact CB-OD1 3.43Å; T400-D803 HydrophobicContact CG2-CB 4.07Å; T400-D803 VanDerWaalsContact CG2-OD1 3.22Å; T400-D803 WeakPolarHBondContact CG2-OD1 3.21Å; G799-D803 PolarHBondContact O-N 3.36Å; F800-D803 PolarHBondContact O-N 3.08Å; D803-S805 VanDerWaalsContact C-N 3.34Å; D803-S805 PolarHBondContact O-N 3.27Å; D803-H807 WeakPolarHBondContact O-CB 3.38Å; D803-H807 PolarHBondContact O-CD2 2.87Å; D803-H807 VanDerWaalsContact O-CG 3.32Å; D803-H807 PolarHBondContact O-N 2.88Å |
| 804 | F | 87.7 | Confident | 84.6 | Confident | 10 Ų | 10 | 7.8 Ų | 7.8 | 4% | 0.044 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -63.5 | -40.7 | -179.3 | -51.3 | -48.1 | 0 | 0 | 0 | 112.5 | V802 I808 I835 I868 V872 | V802-F804 PolarHBondContact O-N 2.85Å; F804-I808 PolarHBondContact O-N 3.47Å; F804-I835 HydrophobicContact CB-CG2 4.13Å; F804-I835 HydrophobicContact CD1-CB 4.41Å; F804-I835 HydrophobicContact CD1-CG1 4.34Å; F804-I835 HydrophobicContact CD1-CG2 3.62Å; F804-I835 HydrophobicContact CE1-CG2 4.29Å; F804-I835 HydrophobicContact CG-CG2 4.02Å; F804-I868 HydrophobicContact CE2-CD1 3.94Å; F804-I868 HydrophobicContact CZ-CD1 3.92Å; F804-V872 HydrophobicContact CD2-CG2 4.15Å; F804-V872 HydrophobicContact CE2-CG2 3.93Å; F804-V872 HydrophobicContact CZ-CG2 4.13Å |
| 805 | S | 88.8 | Confident | 83.9 | Confident | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -70.5 | -44.8 | -177.7 | -63 | 0 | 0 | 0 | 0 | 111.8 | S801 V802 D803 I808 A809 L879 | S801-S805 PolarHBondContact O-OG 2.96Å; V802-S805 PolarHBondContact O-N 3.37Å; V802-S805 VanDerWaalsContact O-N 3.09Å; D803-S805 VanDerWaalsContact C-N 3.34Å; D803-S805 PolarHBondContact O-N 3.27Å; S805-I808 PolarHBondContact O-N 3.05Å; S805-A809 VanDerWaalsContact O-CB 3.23Å; S805-A809 WeakPolarHBondContact O-CB 3.37Å; S805-A809 PolarHBondContact O-N 3.08Å; S805-L879 WeakPolarHBondContact O-CD2 3.47Å |
| 806 | A | 85.7 | Confident | 82.8 | Confident | 6 Ų | 6 | 13.2 Ų | 13.2 | 5% | 0.05 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -65.4 | -42.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V802 I808 A809 Y810 | V802-A806 HydrophobicContact CG1-CB 3.99Å; V802-A806 VanDerWaalsContact O-CB 3.24Å; V802-A806 WeakPolarHBondContact O-CB 3.43Å; V802-A806 PolarHBondContact O-N 3.18Å; A806-I808 PolarHBondContact O-N 3.13Å; A806-A809 PolarHBondContact O-N 2.9Å; A806-Y810 WeakPolarHBondContact O-CB 3.46Å; A806-Y810 PolarHBondContact O-N 3.45Å |
| 807 | H | 86.6 | Confident | 81.6 | Confident | 9 Ų | 9 | 17.1 Ų | 17.1 | 4% | 0.042 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -56.8 | -50.5 | 175.3 | -81.5 | -47.4 | 0 | 0 | 0 | 112.3 | L368 S396 T400 D803 S811 L831 I835 | L368-H807 WeakPolarHBondContact CD2-CE1 3.47Å; S396-H807 PolarHBondContact OG-CE1 3.5Å; S396-H807 VanDerWaalsContact OG-CE1 3.24Å; S396-H807 PolarHBondContact OG-ND1 3.25Å; T400-H807 WeakPolarHBondContact CG2-NE2 3.44Å; D803-H807 WeakPolarHBondContact O-CB 3.38Å; D803-H807 PolarHBondContact O-CD2 2.87Å; D803-H807 VanDerWaalsContact O-CG 3.32Å; D803-H807 PolarHBondContact O-N 2.88Å; H807-S811 WeakPolarHBondContact O-CB 3.42Å; H807-S811 PolarHBondContact O-N 3.36Å; H807-L831 HydrophobicContact CB-CD1 4.14Å; H807-L831 WeakPolarHBondContact O-CD1 3.29Å; H807-I835 HydrophobicContact CB-CD1 4.39Å |
| 808 | I | 87.6 | Confident | 80.5 | Confident | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67.9 | -44.5 | 179.9 | -69.4 | -67.8 | 0 | 0 | 0 | 111.5 | F804 S805 A806 Y810 S811 Y812 L828 L831 I835 G875 L879 P880 | F804-I808 PolarHBondContact O-N 3.47Å; S805-I808 PolarHBondContact O-N 3.05Å; A806-I808 PolarHBondContact O-N 3.13Å; I808-Y810 VanDerWaalsContact C-N 3.33Å; I808-Y810 PolarHBondContact O-N 2.86Å; I808-S811 PolarHBondContact O-N 3.46Å; I808-Y812 VanDerWaalsContact O-CB 3.32Å; I808-Y812 WeakPolarHBondContact O-CB 3.08Å; I808-Y812 PolarHBondContact O-N 3.44Å; I808-L828 HydrophobicContact CD1-CD2 4.2Å; I808-L831 HydrophobicContact CD1-CB 3.9Å; I808-I835 HydrophobicContact CD1-CD1 3.61Å; I808-I835 HydrophobicContact CG1-CD1 3.41Å; I808-I835 VanDerWaalsContact CG1-CD1 3.41Å; I808-G875 WeakPolarHBondContact CG1-O 2.97Å; I808-L879 HydrophobicContact CG2-CD2 4.45Å; I808-P880 HydrophobicContact CG2-CG 4.01Å |
| 809 | A | 85.9 | Confident | 79.8 | Confident | 2 Ų | 2 | 26.3 Ų | 26.3 | 2% | 0.017 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.3 | -41.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | I755 V764 S805 A806 Y812 A813 L879 I883 | I755-A809 HydrophobicContact CD1-CB 4.2Å; V764-A809 HydrophobicContact CG2-CB 3.4Å; S805-A809 VanDerWaalsContact O-CB 3.23Å; S805-A809 WeakPolarHBondContact O-CB 3.37Å; S805-A809 PolarHBondContact O-N 3.08Å; A806-A809 PolarHBondContact O-N 2.9Å; A809-Y812 PolarHBondContact O-N 2.77Å; A809-A813 WeakPolarHBondContact O-CB 3.39Å; A809-A813 PolarHBondContact O-N 3.1Å; A809-L879 HydrophobicContact CB-CD2 4.34Å; A809-I883 HydrophobicContact CB-CD1 4.17Å |
| 810 | Y | 83.5 | Confident | 79.5 | Confident | 11 Ų | 11 | 27.3 Ų | 27.3 | 4% | 0.043 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.4 | -50 | 175.5 | 175.7 | -102.8 | 0 | 0 | 0 | 111.5 | Q18 E392 V395 I399 A806 I808 Y812 A813 V814 | Q18-Y810 HydrophobicContact CG-CE2 3.98Å; Q18-Y810 VanDerWaalsContact NE2-CZ 3.33Å; Q18-Y810 PolarHBondContact NE2-OH 3.42Å; E392-Y810 HydrophobicContact CG-CE1 4.41Å; V395-Y810 HydrophobicContact CG1-CE2 4.42Å; I399-Y810 HydrophobicContact CD1-CD2 4.36Å; A806-Y810 WeakPolarHBondContact O-CB 3.46Å; A806-Y810 PolarHBondContact O-N 3.45Å; I808-Y810 VanDerWaalsContact C-N 3.33Å; I808-Y810 PolarHBondContact O-N 2.86Å; Y810-Y812 VanDerWaalsContact C-N 3.31Å; Y810-Y812 PolarHBondContact O-N 3.14Å; Y810-A813 PolarHBondContact O-N 2.84Å; Y810-A813 VanDerWaalsContact O-N 3.14Å; Y810-V814 HydrophobicContact CD2-CG2 4.44Å; Y810-V814 HydrophobicContact CE1-CG2 4.12Å; Y810-V814 HydrophobicContact CE2-CG2 4.04Å; Y810-V814 WeakPolarHBondContact O-CG2 3.27Å; Y810-V814 PolarHBondContact O-N 3.25Å |
| 811 | S | 82.3 | Confident | 79.2 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.2 | -38 | 179.4 | -163.8 | 0 | 0 | 0 | 0 | 112.5 | H807 I808 N815 L831 | H807-S811 WeakPolarHBondContact O-CB 3.42Å; H807-S811 PolarHBondContact O-N 3.36Å; I808-S811 PolarHBondContact O-N 3.46Å; S811-N815 WeakPolarHBondContact O-CB 3.47Å; S811-N815 PolarHBondContact O-N 3.5Å; S811-N815 PolarHBondContact O-ND2 3.46Å; S811-L831 VanDerWaalsContact CB-CD1 3.45Å |
| 812 | Y | 83 | Confident | 79.1 | Confident | 8 Ų | 8 | 34.3 Ų | 34.3 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.2 | -45.4 | 173.3 | -176.8 | -79.7 | 0 | 0 | 0 | 111.4 | I808 A809 Y810 V814 N815 K816 T820 I824 I883 I887 | I808-Y812 VanDerWaalsContact O-CB 3.32Å; I808-Y812 WeakPolarHBondContact O-CB 3.08Å; I808-Y812 PolarHBondContact O-N 3.44Å; A809-Y812 PolarHBondContact O-N 2.77Å; Y810-Y812 VanDerWaalsContact C-N 3.31Å; Y810-Y812 PolarHBondContact O-N 3.14Å; Y812-V814 PolarHBondContact O-N 3.43Å; Y812-N815 PolarHBondContact O-N 3.36Å; Y812-K816 PolarHBondContact O-N 3.36Å; Y812-T820 WeakPolarHBondContact OH-CG2 3.49Å; Y812-I824 HydrophobicContact CD2-CG1 4.18Å; Y812-I824 HydrophobicContact CE2-CG1 3.71Å; Y812-I883 HydrophobicContact CD1-CG2 3.51Å; Y812-I883 HydrophobicContact CD2-CG2 4.27Å; Y812-I883 HydrophobicContact CE1-CG2 3.29Å; Y812-I883 HydrophobicContact CE2-CG2 4.04Å; Y812-I883 HydrophobicContact CG-CG2 4.02Å; Y812-I887 HydrophobicContact CD1-CD1 4.5Å; Y812-I887 HydrophobicContact CE1-CD1 3.42Å; Y812-I887 VanDerWaalsContact CE1-CD1 3.42Å |
| 813 | A | 79.4 | Confident | 79.1 | Confident | 20 Ų | 20 | 34.3 Ų | 34.3 | 17% | 0.165 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.4 | -41.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I755 P756 A809 Y810 N815 | I755-A813 HydrophobicContact CG2-CB 4.34Å; P756-A813 HydrophobicContact CG-CB 4.38Å; A809-A813 WeakPolarHBondContact O-CB 3.39Å; A809-A813 PolarHBondContact O-N 3.1Å; Y810-A813 PolarHBondContact O-N 2.84Å; Y810-A813 VanDerWaalsContact O-N 3.14Å; A813-N815 VanDerWaalsContact C-N 3.34Å; A813-N815 PolarHBondContact O-N 2.89Å |
| 814 | V | 77.2 | Confident | 79.1 | Confident | 68 Ų | 68 | 34.3 Ų | 34.3 | 41% | 0.412 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -66.6 | -33.6 | 178 | 173.4 | 0 | 0 | 0 | 0 | 112.1 | Y810 Y812 | Y810-V814 HydrophobicContact CD2-CG2 4.44Å; Y810-V814 HydrophobicContact CE1-CG2 4.12Å; Y810-V814 HydrophobicContact CE2-CG2 4.04Å; Y810-V814 WeakPolarHBondContact O-CG2 3.27Å; Y810-V814 PolarHBondContact O-N 3.25Å; Y812-V814 PolarHBondContact O-N 3.43Å |
| 815 | N | 75.4 | Confident | 79 | Confident | 37 Ų | 37 | 37.8 Ų | 37.8 | 20% | 0.198 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 12.8 | -176.2 | -69.8 | -71.9 | 0 | 0 | 0 | 114.6 | S811 Y812 A813 G817 S823 M826 | S811-N815 WeakPolarHBondContact O-CB 3.47Å; S811-N815 PolarHBondContact O-N 3.5Å; S811-N815 PolarHBondContact O-ND2 3.46Å; Y812-N815 PolarHBondContact O-N 3.36Å; A813-N815 VanDerWaalsContact C-N 3.34Å; A813-N815 PolarHBondContact O-N 2.89Å; N815-G817 VanDerWaalsContact C-N 3.28Å; N815-G817 PolarHBondContact O-N 2.79Å; N815-S823 PolarHBondContact O-OG 3.25Å; N815-M826 HydrophobicContact CB-CB 4.05Å |
| 816 | K | 66.5 | Low | 78.7 | Confident | 92 Ų | 92 | 40.6 Ų | 40.6 | 40% | 0.4 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -62 | -27.8 | -173.5 | -168.1 | 176.6 | 177.8 | -176.1 | 0 | 115 | Y812 K818 G819 S823 | Y812-K816 PolarHBondContact O-N 3.36Å; K816-K818 PolarHBondContact O-N 2.86Å; K816-G819 PolarHBondContact O-N 2.94Å; K816-S823 VanDerWaalsContact CA-OG 3.27Å; K816-S823 WeakPolarHBondContact CA-OG 3.33Å |
| 817 | G | 61.7 | Low | 78.7 | Confident | 82 Ų | 82 | 40.4 Ų | 40.4 | 85% | 0.845 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -62.1 | -7.6 | -165.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | N815 | N815-G817 VanDerWaalsContact C-N 3.28Å; N815-G817 PolarHBondContact O-N 2.79Å |
| 818 | K | 61.9 | Low | 78.8 | Confident | 165 Ų | 165 | 40 Ų | 40 | 72% | 0.717 | 22% | 0.222 | S | C | * | . | G | 310 helix | trans | -124 | 10.6 | -172.5 | -63.5 | 176.2 | 177.9 | 178.9 | 0 | 114.7 | K816 H822 | K816-K818 PolarHBondContact O-N 2.86Å; K818-H822 HydrophobicContact CB-CB 4.26Å; K818-H822 VanDerWaalsContact CB-CD2 3.48Å; K818-H822 WeakPolarHBondContact CB-CD2 3.16Å; K818-H822 WeakPolarHBondContact CD-NE2 3.39Å |
| 819 | G | 70.1 | Confident | 78.6 | Confident | 33 Ų | 33 | 40.3 Ų | 40.3 | 34% | 0.34 | 23% | 0.225 | S | C | . | . | trans | 106.7 | 152.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | K816 E821 H822 S823 | K816-G819 PolarHBondContact O-N 2.94Å; G819-E821 PolarHBondContact O-N 3.49Å; G819-H822 PolarHBondContact O-N 3.32Å; G819-H822 VanDerWaalsContact O-N 3.13Å; G819-S823 PolarHBondContact O-N 3.02Å; G819-S823 PolarHBondContact O-OG 3.21Å; G819-S823 VanDerWaalsContact O-OG 3.07Å | ||
| 820 | T | 75 | Confident | 78.5 | Confident | 22 Ų | 22 | 41.2 Ų | 41.2 | 14% | 0.135 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -55.2 | -48.1 | -171.4 | -51 | 0 | 0 | 0 | 0 | 113.4 | Y812 H822 S823 I824 S884 | Y812-T820 WeakPolarHBondContact OH-CG2 3.49Å; T820-H822 VanDerWaalsContact C-N 3.33Å; T820-H822 PolarHBondContact O-N 2.9Å; T820-S823 PolarHBondContact O-N 2.86Å; T820-I824 HydrophobicContact CG2-CD1 4.18Å; T820-I824 WeakPolarHBondContact O-CG1 3.39Å; T820-I824 PolarHBondContact O-N 3.28Å; T820-S884 WeakPolarHBondContact CG2-OG 3.5Å |
| 821 | E | 77.2 | Confident | 78.7 | Confident | 93 Ų | 93 | 41.1 Ų | 41.1 | 44% | 0.435 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.9 | -41.7 | 179.8 | -179.7 | 177.8 | -177.6 | 0 | 0 | 111.7 | G819 I824 R825 | G819-E821 PolarHBondContact O-N 3.49Å; E821-I824 PolarHBondContact O-N 3.04Å; E821-R825 HydrophobicContact CG-CG 4.47Å; E821-R825 WeakPolarHBondContact O-CB 3.49Å; E821-R825 VanDerWaalsContact O-CG 3.27Å; E821-R825 WeakPolarHBondContact O-CG 3.32Å; E821-R825 PolarHBondContact O-N 3.03Å; E821-R825 IonicContact OE1-CZ 3.88Å; E821-R825 IonicContact OE1-NE 3.81Å; E821-R825 PolarHBondContact OE1-NE 3.17Å; E821-R825 VanDerWaalsContact OE1-NE 3.08Å; E821-R825 IonicContact OE1-NH2 3.95Å; E821-R825 PolarHBondContact OE1-NH2 3.19Å |
| 822 | H | 78.6 | Confident | 78.9 | Confident | 58 Ų | 58 | 41.1 Ų | 41.1 | 27% | 0.269 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.5 | -41.9 | 177 | -173.4 | 73 | 0 | 0 | 0 | 111.3 | K818 G819 T820 I824 R825 M826 | K818-H822 HydrophobicContact CB-CB 4.26Å; K818-H822 VanDerWaalsContact CB-CD2 3.48Å; K818-H822 WeakPolarHBondContact CB-CD2 3.16Å; K818-H822 WeakPolarHBondContact CD-NE2 3.39Å; G819-H822 PolarHBondContact O-N 3.32Å; G819-H822 VanDerWaalsContact O-N 3.13Å; T820-H822 VanDerWaalsContact C-N 3.33Å; T820-H822 PolarHBondContact O-N 2.9Å; H822-I824 PolarHBondContact O-N 3.05Å; H822-R825 PolarHBondContact O-N 3.19Å; H822-M826 WeakPolarHBondContact O-CB 3.23Å; H822-M826 VanDerWaalsContact O-CG 3.26Å; H822-M826 WeakPolarHBondContact O-CG 3.07Å; H822-M826 PolarHBondContact O-N 3.23Å |
| 823 | S | 82.3 | Confident | 79.3 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.2 | -40.4 | 177.6 | -51.1 | 0 | 0 | 0 | 0 | 112.5 | N815 K816 G819 T820 A827 | N815-S823 PolarHBondContact O-OG 3.25Å; K816-S823 VanDerWaalsContact CA-OG 3.27Å; K816-S823 WeakPolarHBondContact CA-OG 3.33Å; G819-S823 PolarHBondContact O-N 3.02Å; G819-S823 PolarHBondContact O-OG 3.21Å; G819-S823 VanDerWaalsContact O-OG 3.07Å; T820-S823 PolarHBondContact O-N 2.86Å; S823-A827 VanDerWaalsContact O-CB 3.24Å; S823-A827 WeakPolarHBondContact O-CB 3.38Å; S823-A827 PolarHBondContact O-N 2.91Å |
| 824 | I | 84.7 | Confident | 79.7 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.4 | -49.2 | 174.7 | -63.7 | 174.3 | 0 | 0 | 0 | 110.5 | A518 Y812 T820 E821 H822 M826 A827 L828 | A518-I824 HydrophobicContact CB-CG2 4.13Å; Y812-I824 HydrophobicContact CD2-CG1 4.18Å; Y812-I824 HydrophobicContact CE2-CG1 3.71Å; T820-I824 HydrophobicContact CG2-CD1 4.18Å; T820-I824 WeakPolarHBondContact O-CG1 3.39Å; T820-I824 PolarHBondContact O-N 3.28Å; E821-I824 PolarHBondContact O-N 3.04Å; H822-I824 PolarHBondContact O-N 3.05Å; I824-M826 VanDerWaalsContact C-N 3.31Å; I824-M826 PolarHBondContact O-N 3.25Å; I824-A827 PolarHBondContact O-N 3.15Å; I824-L828 HydrophobicContact CG2-CD1 3.6Å; I824-L828 HydrophobicContact CG2-CG 4.32Å; I824-L828 WeakPolarHBondContact O-CB 3.37Å; I824-L828 PolarHBondContact O-N 3.4Å |
| 825 | R | 86 | Confident | 80.4 | Confident | 83 Ų | 83 | 42.1 Ų | 42.1 | 31% | 0.313 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -57.2 | -44.5 | 178.6 | -74.4 | 174.3 | 179.5 | -139.2 | 5.3 | 111.5 | A518 E821 H822 G829 | A518-R825 HydrophobicContact CB-CB 4.25Å; A518-R825 HydrophobicContact CB-CG 3.71Å; E821-R825 HydrophobicContact CG-CG 4.47Å; E821-R825 WeakPolarHBondContact O-CB 3.49Å; E821-R825 VanDerWaalsContact O-CG 3.27Å; E821-R825 WeakPolarHBondContact O-CG 3.32Å; E821-R825 PolarHBondContact O-N 3.03Å; E821-R825 IonicContact OE1-CZ 3.88Å; E821-R825 IonicContact OE1-NE 3.81Å; E821-R825 PolarHBondContact OE1-NE 3.17Å; E821-R825 VanDerWaalsContact OE1-NE 3.08Å; E821-R825 IonicContact OE1-NH2 3.95Å; E821-R825 PolarHBondContact OE1-NH2 3.19Å; H822-R825 PolarHBondContact O-N 3.19Å; R825-G829 WeakPolarHBondContact O-CA 3.32Å; R825-G829 PolarHBondContact O-N 2.89Å |
| 826 | M | 82.9 | Confident | 81.2 | Confident | 60 Ų | 60 | 42 Ų | 42 | 30% | 0.296 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -69.4 | -44.2 | 178 | -68.7 | -55.2 | -60 | 0 | 0 | 112.3 | N815 H822 I824 N830 | N815-M826 HydrophobicContact CB-CB 4.05Å; H822-M826 WeakPolarHBondContact O-CB 3.23Å; H822-M826 VanDerWaalsContact O-CG 3.26Å; H822-M826 WeakPolarHBondContact O-CG 3.07Å; H822-M826 PolarHBondContact O-N 3.23Å; I824-M826 VanDerWaalsContact C-N 3.31Å; I824-M826 PolarHBondContact O-N 3.25Å; M826-N830 WeakPolarHBondContact O-CB 3.41Å; M826-N830 PolarHBondContact O-N 3.31Å; M826-N830 PolarHBondContact O-ND2 3.46Å |
| 827 | A | 86.1 | Confident | 82.3 | Confident | 2 Ų | 2 | 38.2 Ų | 38.2 | 2% | 0.017 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.7 | -50.1 | 180 | 0 | 0 | 0 | 0 | 0 | 111.8 | S823 I824 N830 L831 | S823-A827 VanDerWaalsContact O-CB 3.24Å; S823-A827 WeakPolarHBondContact O-CB 3.38Å; S823-A827 PolarHBondContact O-N 2.91Å; I824-A827 PolarHBondContact O-N 3.15Å; A827-N830 PolarHBondContact O-N 3.38Å; A827-L831 WeakPolarHBondContact O-CB 3.36Å; A827-L831 PolarHBondContact O-N 3.41Å |
| 828 | L | 87.9 | Confident | 83.7 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -70.8 | -37.5 | 179 | -69.1 | 173.9 | 0 | 0 | 0 | 112.4 | F513 F517 A518 L521 I808 I824 N830 G832 I876 P880 | F513-L828 HydrophobicContact CD1-CB 4.39Å; F517-L828 HydrophobicContact CD1-CD1 4Å; F517-L828 HydrophobicContact CE1-CD1 4.09Å; A518-L828 HydrophobicContact CB-CD1 4.03Å; L521-L828 HydrophobicContact CD1-CD1 3.72Å; I808-L828 HydrophobicContact CD1-CD2 4.2Å; I824-L828 HydrophobicContact CG2-CD1 3.6Å; I824-L828 HydrophobicContact CG2-CG 4.32Å; I824-L828 WeakPolarHBondContact O-CB 3.37Å; I824-L828 PolarHBondContact O-N 3.4Å; L828-N830 VanDerWaalsContact C-N 3.32Å; L828-N830 PolarHBondContact O-N 3.19Å; L828-G832 VanDerWaalsContact O-CA 3.26Å; L828-G832 WeakPolarHBondContact O-CA 3.44Å; L828-G832 PolarHBondContact O-N 3.29Å; L828-I876 HydrophobicContact CD2-CG2 4.15Å; L828-P880 HydrophobicContact CD2-CG 4.24Å |
| 829 | G | 84.2 | Confident | 85.2 | Confident | 8 Ų | 8 | 26.7 Ų | 26.7 | 8% | 0.082 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.3 | -38.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | V514 R825 | V514-G829 VanDerWaalsContact CG2-CA 3.43Å; R825-G829 WeakPolarHBondContact O-CA 3.32Å; R825-G829 PolarHBondContact O-N 2.89Å |
| 830 | N | 82.2 | Confident | 86.3 | Confident | 21 Ų | 21 | 28.8 Ų | 28.8 | 11% | 0.112 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -80.2 | -40 | -177.9 | -67.6 | -21.6 | 0 | 0 | 0 | 113 | S371 R375 M826 A827 L828 | S371-N830 PolarHBondContact OG-O 2.98Å; R375-N830 VanDerWaalsContact CD-OD1 3.3Å; R375-N830 WeakPolarHBondContact CD-OD1 3.46Å; R375-N830 PolarHBondContact NH1-ND2 3.26Å; M826-N830 WeakPolarHBondContact O-CB 3.41Å; M826-N830 PolarHBondContact O-N 3.31Å; M826-N830 PolarHBondContact O-ND2 3.46Å; A827-N830 PolarHBondContact O-N 3.38Å; L828-N830 VanDerWaalsContact C-N 3.32Å; L828-N830 PolarHBondContact O-N 3.19Å |
| 831 | L | 87.3 | Confident | 87.1 | Confident | 9 Ų | 9 | 27.8 Ų | 27.8 | 5% | 0.047 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -120 | -14.8 | -167.3 | -61.4 | -176.3 | 0 | 0 | 0 | 114.7 | L368 H807 I808 S811 A827 W833 P834 I835 | L368-L831 HydrophobicContact CD1-CD2 3.32Å; H807-L831 HydrophobicContact CB-CD1 4.14Å; H807-L831 WeakPolarHBondContact O-CD1 3.29Å; I808-L831 HydrophobicContact CD1-CB 3.9Å; S811-L831 VanDerWaalsContact CB-CD1 3.45Å; A827-L831 WeakPolarHBondContact O-CB 3.36Å; A827-L831 PolarHBondContact O-N 3.41Å; L831-W833 VanDerWaalsContact C-N 3.35Å; L831-W833 PolarHBondContact O-N 3.27Å; L831-P834 WeakPolarHBondContact O-CD 3.46Å; L831-I835 HydrophobicContact CB-CD1 4.17Å; L831-I835 WeakPolarHBondContact O-CB 3.26Å; L831-I835 WeakPolarHBondContact O-CD1 3.48Å; L831-I835 VanDerWaalsContact O-CG1 3.23Å; L831-I835 WeakPolarHBondContact O-CG1 3.16Å; L831-I835 PolarHBondContact O-N 2.73Å |
| 832 | G | 88.4 | Confident | 87.9 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.3 | -44.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L828 V836 | L828-G832 VanDerWaalsContact O-CA 3.26Å; L828-G832 WeakPolarHBondContact O-CA 3.44Å; L828-G832 PolarHBondContact O-N 3.29Å; G832-V836 WeakPolarHBondContact O-CG2 3.27Å; G832-V836 PolarHBondContact O-N 3.38Å |
| 833 | W | 89.6 | Confident | 88.6 | Confident | 96 Ų | 96 | 22.4 Ų | 22.4 | 36% | 0.364 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -70.5 | -48.6 | 177.8 | -178.8 | -114.3 | 0 | 0 | 0 | 113.6 | A509 F513 L831 I835 V836 Q837 | A509-W833 HydrophobicContact CB-CB 4.16Å; A509-W833 HydrophobicContact CB-CD2 3.39Å; A509-W833 HydrophobicContact CB-CE3 3.48Å; A509-W833 VanDerWaalsContact CB-CE3 3.48Å; A509-W833 HydrophobicContact CB-CG 3.71Å; A509-W833 HydrophobicContact CB-CZ2 4.45Å; A509-W833 HydrophobicContact CB-CZ3 4.06Å; F513-W833 HydrophobicContact CD2-CB 4.37Å; F513-W833 HydrophobicContact CE2-CB 4.16Å; L831-W833 VanDerWaalsContact C-N 3.35Å; L831-W833 PolarHBondContact O-N 3.27Å; W833-I835 VanDerWaalsContact C-N 3.26Å; W833-I835 PolarHBondContact O-N 3.29Å; W833-V836 HydrophobicContact CE3-CB 4.31Å; W833-V836 HydrophobicContact CE3-CG1 4.35Å; W833-V836 HydrophobicContact CZ3-CG1 4.09Å; W833-V836 PolarHBondContact O-N 3.47Å; W833-V836 VanDerWaalsContact O-N 3.14Å; W833-Q837 HydrophobicContact CD2-CG 4.06Å; W833-Q837 HydrophobicContact CG-CG 4.42Å; W833-Q837 HydrophobicContact CH2-CG 4.49Å; W833-Q837 HydrophobicContact CZ2-CG 3.87Å; W833-Q837 WeakPolarHBondContact O-CG 3.42Å; W833-Q837 PolarHBondContact O-N 3.21Å |
| 834 | P | 89.3 | Confident | 89.1 | Confident | 11 Ų | 11 | 24.8 Ų | 24.8 | 7% | 0.071 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -53.2 | -39.5 | 172.6 | -30 | 35.3 | 0 | 0 | 0 | 114.3 | L831 Q837 G838 | L831-P834 WeakPolarHBondContact O-CD 3.46Å; P834-Q837 PolarHBondContact O-N 3.05Å; P834-G838 PolarHBondContact O-N 2.68Å |
| 835 | I | 90.6 | Very high | 89.3 | Confident | 9 Ų | 9 | 24.7 Ų | 24.7 | 5% | 0.046 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.2 | -44.8 | 177.4 | -72.3 | 167.5 | 0 | 0 | 0 | 111.2 | F804 H807 I808 L831 W833 Q837 G838 G839 V872 I876 | F804-I835 HydrophobicContact CB-CG2 4.13Å; F804-I835 HydrophobicContact CD1-CB 4.41Å; F804-I835 HydrophobicContact CD1-CG1 4.34Å; F804-I835 HydrophobicContact CD1-CG2 3.62Å; F804-I835 HydrophobicContact CE1-CG2 4.29Å; F804-I835 HydrophobicContact CG-CG2 4.02Å; H807-I835 HydrophobicContact CB-CD1 4.39Å; I808-I835 HydrophobicContact CD1-CD1 3.61Å; I808-I835 HydrophobicContact CG1-CD1 3.41Å; I808-I835 VanDerWaalsContact CG1-CD1 3.41Å; L831-I835 HydrophobicContact CB-CD1 4.17Å; L831-I835 WeakPolarHBondContact O-CB 3.26Å; L831-I835 WeakPolarHBondContact O-CD1 3.48Å; L831-I835 VanDerWaalsContact O-CG1 3.23Å; L831-I835 WeakPolarHBondContact O-CG1 3.16Å; L831-I835 PolarHBondContact O-N 2.73Å; W833-I835 VanDerWaalsContact C-N 3.26Å; W833-I835 PolarHBondContact O-N 3.29Å; I835-Q837 VanDerWaalsContact C-N 3.31Å; I835-Q837 PolarHBondContact O-N 3.42Å; I835-G838 PolarHBondContact O-N 3Å; I835-G839 PolarHBondContact O-N 2.8Å; I835-V872 HydrophobicContact CG2-CG1 4.44Å; I835-V872 HydrophobicContact CG2-CG2 4.31Å; I835-I876 HydrophobicContact CB-CD1 4.34Å; I835-I876 HydrophobicContact CG2-CD1 3.89Å; I835-I876 HydrophobicContact CG2-CG1 4.11Å |
| 836 | V | 92 | Very high | 89.6 | Confident | 36 Ų | 36 | 20.7 Ų | 20.7 | 22% | 0.218 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.8 | -40.1 | 175.2 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | F513 G832 W833 G839 L840 V872 I876 | F513-V836 HydrophobicContact CZ-CG2 4.15Å; G832-V836 WeakPolarHBondContact O-CG2 3.27Å; G832-V836 PolarHBondContact O-N 3.38Å; W833-V836 HydrophobicContact CE3-CB 4.31Å; W833-V836 HydrophobicContact CE3-CG1 4.35Å; W833-V836 HydrophobicContact CZ3-CG1 4.09Å; W833-V836 PolarHBondContact O-N 3.47Å; W833-V836 VanDerWaalsContact O-N 3.14Å; V836-G839 PolarHBondContact O-N 3.5Å; V836-L840 HydrophobicContact CG1-CD1 3.85Å; V836-L840 HydrophobicContact CG1-CG 4.31Å; V836-L840 WeakPolarHBondContact O-CB 3.26Å; V836-L840 VanDerWaalsContact O-CG 3.3Å; V836-L840 WeakPolarHBondContact O-CG 3.25Å; V836-L840 PolarHBondContact O-N 2.96Å; V836-V872 HydrophobicContact CG2-CG1 4.49Å; V836-I876 HydrophobicContact CG2-CD1 3.58Å |
| 837 | Q | 91.2 | Very high | 89.9 | Confident | 11 Ų | 11 | 22 Ų | 22 | 5% | 0.051 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.7 | -46.2 | 176.4 | -69.8 | 178.8 | -53.3 | 0 | 0 | 112 | C298 F367 W833 P834 I835 L840 S841 | C298-Q837 VanDerWaalsContact CB-NE2 3.35Å; C298-Q837 PolarHBondContact O-NE2 3.25Å; C298-Q837 VanDerWaalsContact O-NE2 3.13Å; F367-Q837 HydrophobicContact CD2-CB 3.7Å; F367-Q837 HydrophobicContact CE2-CB 3.92Å; F367-Q837 HydrophobicContact CG-CB 4.1Å; W833-Q837 HydrophobicContact CD2-CG 4.06Å; W833-Q837 HydrophobicContact CG-CG 4.42Å; W833-Q837 HydrophobicContact CH2-CG 4.49Å; W833-Q837 HydrophobicContact CZ2-CG 3.87Å; W833-Q837 WeakPolarHBondContact O-CG 3.42Å; W833-Q837 PolarHBondContact O-N 3.21Å; P834-Q837 PolarHBondContact O-N 3.05Å; I835-Q837 VanDerWaalsContact C-N 3.31Å; I835-Q837 PolarHBondContact O-N 3.42Å; Q837-L840 PolarHBondContact O-N 3.03Å; Q837-S841 PolarHBondContact O-N 3.04Å; Q837-S841 PolarHBondContact O-OG 2.87Å |
| 838 | G | 90.5 | Very high | 90.1 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.8 | -38.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | P834 I835 S841 T842 | P834-G838 PolarHBondContact O-N 2.68Å; I835-G838 PolarHBondContact O-N 3Å; G838-S841 WeakPolarHBondContact CA-OG 3.46Å; G838-S841 PolarHBondContact O-OG 3.16Å; G838-T842 PolarHBondContact O-N 3.03Å; G838-T842 VanDerWaalsContact O-N 3.09Å; G838-T842 PolarHBondContact O-OG1 3.4Å |
| 839 | G | 92.5 | Very high | 90 | Very high | 4 Ų | 4 | 23 Ų | 23 | 4% | 0.041 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.1 | -49 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | I835 V836 S841 T842 V843 I868 | I835-G839 PolarHBondContact O-N 2.8Å; V836-G839 PolarHBondContact O-N 3.5Å; G839-S841 PolarHBondContact O-N 3.4Å; G839-T842 PolarHBondContact O-N 3.44Å; G839-V843 WeakPolarHBondContact O-CG2 3.4Å; G839-V843 PolarHBondContact O-N 3.15Å; G839-I868 WeakPolarHBondContact O-CG2 3.24Å |
| 840 | L | 93.7 | Very high | 90.1 | Very high | 78 Ų | 78 | 25.1 Ų | 25.1 | 41% | 0.408 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -64.6 | -36.8 | 177.9 | -74.1 | 174.2 | 0 | 0 | 0 | 112.7 | F294 V836 Q837 T842 V843 L844 | F294-L840 HydrophobicContact CE1-CB 4.34Å; F294-L840 HydrophobicContact CE2-CB 4.19Å; F294-L840 HydrophobicContact CZ-CB 3.61Å; F294-L840 HydrophobicContact CZ-CD1 4.4Å; V836-L840 HydrophobicContact CG1-CD1 3.85Å; V836-L840 HydrophobicContact CG1-CG 4.31Å; V836-L840 WeakPolarHBondContact O-CB 3.26Å; V836-L840 VanDerWaalsContact O-CG 3.3Å; V836-L840 WeakPolarHBondContact O-CG 3.25Å; V836-L840 PolarHBondContact O-N 2.96Å; Q837-L840 PolarHBondContact O-N 3.03Å; L840-T842 VanDerWaalsContact C-N 3.33Å; L840-V843 PolarHBondContact O-N 3.32Å; L840-L844 WeakPolarHBondContact O-CB 3.41Å; L840-L844 VanDerWaalsContact O-CG 3.24Å; L840-L844 WeakPolarHBondContact O-CG 3.3Å; L840-L844 PolarHBondContact O-N 3.35Å |
| 841 | S | 93 | Very high | 90.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.3 | -41.7 | 174.2 | 56.5 | 0 | 0 | 0 | 0 | 111.8 | L291 S360 Q837 G838 G839 L844 G845 | L291-S841 VanDerWaalsContact CD2-O 3.29Å; L291-S841 WeakPolarHBondContact CD2-O 3.36Å; S360-S841 PolarHBondContact O-OG 3.26Å; Q837-S841 PolarHBondContact O-N 3.04Å; Q837-S841 PolarHBondContact O-OG 2.87Å; G838-S841 WeakPolarHBondContact CA-OG 3.46Å; G838-S841 PolarHBondContact O-OG 3.16Å; G839-S841 PolarHBondContact O-N 3.4Å; S841-L844 PolarHBondContact O-N 3.39Å; S841-G845 PolarHBondContact O-N 2.67Å |
| 842 | T | 92.1 | Very high | 90 | Very high | 3 Ų | 3 | 29.9 Ų | 29.9 | 2% | 0.018 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.1 | -44 | 177.4 | -52.9 | 0 | 0 | 0 | 0 | 111.6 | V361 G838 G839 L840 G845 V846 V864 I868 | V361-T842 HydrophobicContact CG2-CG2 4.01Å; G838-T842 PolarHBondContact O-N 3.03Å; G838-T842 VanDerWaalsContact O-N 3.09Å; G838-T842 PolarHBondContact O-OG1 3.4Å; G839-T842 PolarHBondContact O-N 3.44Å; L840-T842 VanDerWaalsContact C-N 3.33Å; T842-G845 PolarHBondContact O-N 3.24Å; T842-V846 WeakPolarHBondContact O-CG2 3.42Å; T842-V846 PolarHBondContact O-N 3.4Å; T842-V846 VanDerWaalsContact O-N 3.12Å; T842-V864 HydrophobicContact CG2-CG1 4.05Å; T842-I868 HydrophobicContact CG2-CD1 3.76Å; T842-I868 HydrophobicContact CG2-CG1 3.81Å |
| 843 | V | 93.4 | Very high | 89.8 | Confident | 35 Ų | 35 | 34.5 Ų | 34.5 | 21% | 0.212 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.2 | -48.7 | 173.5 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | G839 L840 G845 V846 I847 L865 I868 | G839-V843 WeakPolarHBondContact O-CG2 3.4Å; G839-V843 PolarHBondContact O-N 3.15Å; L840-V843 PolarHBondContact O-N 3.32Å; V843-G845 VanDerWaalsContact C-N 3.32Å; V843-G845 PolarHBondContact O-N 3.38Å; V843-V846 PolarHBondContact O-N 3.05Å; V843-I847 WeakPolarHBondContact O-CB 3.32Å; V843-I847 PolarHBondContact O-N 3.02Å; V843-L865 HydrophobicContact CB-CD2 4.21Å; V843-L865 HydrophobicContact CG1-CD2 3.67Å; V843-L865 HydrophobicContact CG2-CD2 3.92Å; V843-I868 HydrophobicContact CG2-CB 4.37Å; V843-I868 HydrophobicContact CG2-CG2 3.98Å |
| 844 | L | 92.9 | Very high | 89.6 | Confident | 50 Ų | 50 | 29.9 Ų | 29.9 | 26% | 0.262 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -67.6 | -30.1 | -179 | -73.4 | 172.7 | 0 | 0 | 0 | 113.4 | V290 F294 L840 S841 I847 | V290-L844 HydrophobicContact CG1-CB 4.04Å; V290-L844 HydrophobicContact CG1-CD2 4.5Å; F294-L844 HydrophobicContact CB-CD1 3.87Å; F294-L844 HydrophobicContact CD1-CD1 4.03Å; F294-L844 HydrophobicContact CD2-CD1 3.3Å; F294-L844 HydrophobicContact CE1-CD1 4.43Å; F294-L844 HydrophobicContact CE2-CD1 3.76Å; F294-L844 HydrophobicContact CG-CD1 3.44Å; F294-L844 VanDerWaalsContact CG-CD1 3.44Å; F294-L844 HydrophobicContact CZ-CD1 4.3Å; L840-L844 WeakPolarHBondContact O-CB 3.41Å; L840-L844 VanDerWaalsContact O-CG 3.24Å; L840-L844 WeakPolarHBondContact O-CG 3.3Å; L840-L844 PolarHBondContact O-N 3.35Å; S841-L844 PolarHBondContact O-N 3.39Å; L844-I847 WeakPolarHBondContact O-CG2 3.31Å |
| 845 | G | 90.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -71.1 | -38.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | S360 S841 T842 V843 | S360-G845 WeakPolarHBondContact OG-CA 3.4Å; S841-G845 PolarHBondContact O-N 2.67Å; T842-G845 PolarHBondContact O-N 3.24Å; V843-G845 VanDerWaalsContact C-N 3.32Å; V843-G845 PolarHBondContact O-N 3.38Å |
| 846 | V | 90.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -87 | -27.2 | -176.9 | 177 | 0 | 0 | 0 | 0 | 112.8 | L357 T842 V843 V848 L849 F860 C861 V864 | L357-V846 HydrophobicContact CD2-CG2 3.84Å; T842-V846 WeakPolarHBondContact O-CG2 3.42Å; T842-V846 PolarHBondContact O-N 3.4Å; T842-V846 VanDerWaalsContact O-N 3.12Å; V843-V846 PolarHBondContact O-N 3.05Å; V846-V848 PolarHBondContact O-N 3.38Å; V846-V848 VanDerWaalsContact O-N 3.09Å; V846-L849 HydrophobicContact CG1-CD1 4.36Å; V846-L849 WeakPolarHBondContact O-CA 3.16Å; V846-L849 WeakPolarHBondContact O-CB 3.42Å; V846-L849 WeakPolarHBondContact O-CG 3.29Å; V846-L849 PolarHBondContact O-N 2.93Å; V846-F860 HydrophobicContact CG1-CD1 4.2Å; V846-F860 HydrophobicContact CG1-CE1 4.38Å; V846-F860 HydrophobicContact CG2-CE1 4.48Å; V846-C861 HydrophobicContact CG1-CB 4.02Å; V846-V864 HydrophobicContact CB-CG1 4.43Å; V846-V864 HydrophobicContact CG1-CB 4.24Å; V846-V864 HydrophobicContact CG1-CG1 4.43Å; V846-V864 HydrophobicContact CG2-CG1 4.03Å |
| 847 | I | 90.2 | Very high | 89.3 | Confident | 87 Ų | 87 | 29.3 Ų | 29.3 | 45% | 0.446 | 16% | 0.158 | S | C | . | . | G | 310 helix | trans | -61.7 | -22.7 | 178.5 | -157.2 | 168 | 0 | 0 | 0 | 112.9 | V843 L844 L849 A850 | V843-I847 WeakPolarHBondContact O-CB 3.32Å; V843-I847 PolarHBondContact O-N 3.02Å; L844-I847 WeakPolarHBondContact O-CG2 3.31Å; I847-L849 PolarHBondContact O-N 3.19Å; I847-L849 VanDerWaalsContact O-N 3.14Å; I847-A850 HydrophobicContact CG1-CB 4.29Å; I847-A850 VanDerWaalsContact O-CB 3.23Å; I847-A850 WeakPolarHBondContact O-CB 3.45Å; I847-A850 PolarHBondContact O-N 3.24Å |
| 848 | V | 89.3 | Confident | 89.2 | Confident | 25 Ų | 25 | 30.5 Ų | 30.5 | 15% | 0.152 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -60 | -21.9 | 172.2 | -175.8 | 0 | 0 | 0 | 0 | 111.6 | R283 A286 V846 | R283-V848 HydrophobicContact CB-CG1 3.97Å; R283-V848 HydrophobicContact CG-CG1 4.29Å; A286-V848 HydrophobicContact CB-CG1 3.9Å; V846-V848 PolarHBondContact O-N 3.38Å; V846-V848 VanDerWaalsContact O-N 3.09Å |
| 849 | L | 86.7 | Confident | 89.2 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -86.6 | -15.3 | 176.3 | -50.8 | -177 | 0 | 0 | 0 | 113.3 | L280 V353 F356 V846 I847 D851 V852 F857 F860 | L280-L849 HydrophobicContact CD1-CD2 3.31Å; V353-L849 HydrophobicContact CG1-CD1 3.74Å; F356-L849 HydrophobicContact CD1-CD2 4.02Å; F356-L849 HydrophobicContact CD2-CD2 4.46Å; F356-L849 HydrophobicContact CE1-CD2 3.89Å; F356-L849 HydrophobicContact CE2-CD2 4.38Å; F356-L849 HydrophobicContact CG-CD2 4.3Å; F356-L849 HydrophobicContact CZ-CD2 4.07Å; V846-L849 HydrophobicContact CG1-CD1 4.36Å; V846-L849 WeakPolarHBondContact O-CA 3.16Å; V846-L849 WeakPolarHBondContact O-CB 3.42Å; V846-L849 WeakPolarHBondContact O-CG 3.29Å; V846-L849 PolarHBondContact O-N 2.93Å; I847-L849 PolarHBondContact O-N 3.19Å; I847-L849 VanDerWaalsContact O-N 3.14Å; L849-D851 PolarHBondContact O-N 3.44Å; L849-V852 WeakPolarHBondContact O-CB 3.31Å; L849-V852 WeakPolarHBondContact O-CG2 3.48Å; L849-V852 PolarHBondContact O-N 3.08Å; L849-F857 HydrophobicContact CB-CB 4.47Å; L849-F860 HydrophobicContact CD1-CD1 4.13Å; L849-F860 HydrophobicContact CD1-CE1 4.2Å |
| 850 | A | 86.1 | Confident | 89.1 | Confident | 52 Ų | 52 | 30.5 Ų | 30.5 | 43% | 0.43 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -26 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | I847 V852 | I847-A850 HydrophobicContact CG1-CB 4.29Å; I847-A850 VanDerWaalsContact O-CB 3.23Å; I847-A850 WeakPolarHBondContact O-CB 3.45Å; I847-A850 PolarHBondContact O-N 3.24Å; A850-V852 VanDerWaalsContact C-N 3.31Å |
| 851 | D | 84.2 | Confident | 89 | Confident | 124 Ų | 124 | 27.1 Ų | 27.1 | 66% | 0.663 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -7.1 | 176.7 | 179.7 | 68.3 | 0 | 0 | 0 | 112.8 | R283 L849 K853 | R283-D851 IonicContact NH2-OD2 2.73Å; R283-D851 PolarHBondContact NH2-OD2 3.07Å; L849-D851 PolarHBondContact O-N 3.44Å; D851-K853 PolarHBondContact O-N 3.13Å |
| 852 | V | 82.9 | Confident | 89 | Confident | 6 Ų | 6 | 29.7 Ų | 29.7 | 4% | 0.036 | 16% | 0.159 | C | C | . | . | trans | -77.6 | 116.4 | 179.2 | -166.9 | 0 | 0 | 0 | 0 | 109.5 | L849 A850 S854 F857 V858 | L849-V852 WeakPolarHBondContact O-CB 3.31Å; L849-V852 WeakPolarHBondContact O-CG2 3.48Å; L849-V852 PolarHBondContact O-N 3.08Å; A850-V852 VanDerWaalsContact C-N 3.31Å; V852-S854 PolarHBondContact O-N 3.18Å; V852-F857 HydrophobicContact CB-CB 4.12Å; V852-F857 HydrophobicContact CB-CD2 3.78Å; V852-F857 HydrophobicContact CB-CG 4.3Å; V852-F857 HydrophobicContact CG1-CD2 3.31Å; V852-F857 HydrophobicContact CG1-CE2 3.79Å; V852-F857 HydrophobicContact CG1-CG 4.29Å; V852-F857 HydrophobicContact CG2-CD2 4.32Å; V852-V858 WeakPolarHBondContact O-CG2 3.24Å | ||
| 853 | K | 84.2 | Confident | 89.1 | Confident | 96 Ų | 96 | 29.6 Ų | 29.6 | 42% | 0.417 | 16% | 0.158 | S | C | . | . | trans | -68.7 | 63.5 | 175 | -64.1 | -172.4 | -179.5 | -177.9 | 0 | 113.3 | V559 E560 D561 D851 | V559-K853 WeakPolarHBondContact CG1-O 3.1Å; E560-K853 HydrophobicContact CB-CB 4.12Å; E560-K853 HydrophobicContact CG-CB 4.19Å; E560-K853 PolarHBondContact N-O 3.35Å; E560-K853 WeakPolarHBondContact OE2-CB 3.28Å; D561-K853 VanDerWaalsContact CG-NZ 3.32Å; D561-K853 IonicContact OD1-NZ 2.71Å; D561-K853 PolarHBondContact OD1-NZ 2.93Å; D561-K853 WeakPolarHBondContact OD2-CD 3.2Å; D561-K853 IonicContact OD2-NZ 3.99Å; D561-K853 PolarHBondContact OD2-NZ 2.64Å; D851-K853 PolarHBondContact O-N 3.13Å | ||
| 854 | S | 86.8 | Confident | 89.1 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | B | Isolated β-bridge | trans | -151.3 | 128.6 | 177.7 | 169.1 | 0 | 0 | 0 | 0 | 108.6 | N276 V852 M856 F857 V858 | N276-S854 VanDerWaalsContact OD1-CB 3.3Å; N276-S854 WeakPolarHBondContact OD1-CB 3.31Å; N276-S854 PolarHBondContact OD1-OG 3.27Å; V852-S854 PolarHBondContact O-N 3.18Å; S854-M856 PolarHBondContact O-N 3.06Å; S854-F857 PolarHBondContact O-N 3.41Å; S854-F857 VanDerWaalsContact O-N 3.14Å; S854-V858 WeakPolarHBondContact O-CG2 3.39Å; S854-V858 PolarHBondContact O-N 3.28Å |
| 855 | Y | 88.2 | Confident | 89.1 | Confident | 41 Ų | 41 | 28.1 Ų | 28.1 | 16% | 0.161 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -53 | -41.1 | 179.2 | 169.3 | -93.5 | 0 | 0 | 0 | 111.2 | L552 N556 L784 S785 D787 I789 F857 V858 A859 | L552-Y855 HydrophobicContact CD1-CD1 4.47Å; L552-Y855 HydrophobicContact CD1-CE1 4.05Å; N556-Y855 HydrophobicContact CB-CD1 3.72Å; N556-Y855 HydrophobicContact CB-CE1 4.19Å; N556-Y855 HydrophobicContact CB-CG 4.04Å; N556-Y855 WeakPolarHBondContact O-CB 3.21Å; L784-Y855 HydrophobicContact CD2-CE2 3.78Å; S785-Y855 PolarHBondContact OG-OH 3.16Å; D787-Y855 WeakPolarHBondContact OD2-CE1 3.41Å; D787-Y855 PolarHBondContact OD2-OH 3.29Å; I789-Y855 HydrophobicContact CD1-CD1 4.43Å; I789-Y855 HydrophobicContact CD1-CE1 4.45Å; Y855-F857 VanDerWaalsContact C-N 3.34Å; Y855-F857 PolarHBondContact O-N 3.24Å; Y855-V858 PolarHBondContact O-N 3.2Å; Y855-A859 HydrophobicContact CD1-CB 4.48Å; Y855-A859 HydrophobicContact CE1-CB 4.13Å; Y855-A859 HydrophobicContact CE2-CB 4.22Å; Y855-A859 WeakPolarHBondContact O-CB 3.33Å; Y855-A859 PolarHBondContact O-N 2.73Å |
| 856 | M | 87.1 | Confident | 89.3 | Confident | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.015 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -52.8 | -49.2 | 179.2 | -177.6 | 176.5 | 77.3 | 0 | 0 | 112.5 | N276 V350 I789 S854 F860 | N276-M856 HydrophobicContact CB-CE 3.96Å; V350-M856 HydrophobicContact CG2-SD 4.05Å; I789-M856 HydrophobicContact CD1-CB 3.93Å; I789-M856 HydrophobicContact CD1-CG 3.87Å; I789-M856 HydrophobicContact CG1-CG 4.3Å; I789-M856 HydrophobicContact CG2-CG 4.01Å; S854-M856 PolarHBondContact O-N 3.06Å; M856-F860 VanDerWaalsContact O-CB 3.26Å; M856-F860 WeakPolarHBondContact O-CB 3.49Å; M856-F860 PolarHBondContact O-N 2.9Å |
| 857 | F | 89.1 | Confident | 89.5 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -79.4 | -32.9 | -178.3 | -58.3 | -55.9 | 0 | 0 | 0 | 112.7 | N276 L280 V353 L849 V852 S854 Y855 F860 C861 | N276-F857 HydrophobicContact CB-CE2 3.71Å; N276-F857 HydrophobicContact CB-CZ 3.84Å; N276-F857 WeakPolarHBondContact O-CZ 3.13Å; L280-F857 HydrophobicContact CB-CZ 4.22Å; L280-F857 HydrophobicContact CD1-CE1 4.21Å; L280-F857 HydrophobicContact CD1-CZ 4.41Å; L280-F857 HydrophobicContact CD2-CE1 3.9Å; L280-F857 HydrophobicContact CD2-CZ 4.15Å; V353-F857 HydrophobicContact CG2-CD1 3.8Å; V353-F857 HydrophobicContact CG2-CE1 3.47Å; V353-F857 VanDerWaalsContact CG2-CE1 3.47Å; L849-F857 HydrophobicContact CB-CB 4.47Å; V852-F857 HydrophobicContact CB-CB 4.12Å; V852-F857 HydrophobicContact CB-CD2 3.78Å; V852-F857 HydrophobicContact CB-CG 4.3Å; V852-F857 HydrophobicContact CG1-CD2 3.31Å; V852-F857 HydrophobicContact CG1-CE2 3.79Å; V852-F857 HydrophobicContact CG1-CG 4.29Å; V852-F857 HydrophobicContact CG2-CD2 4.32Å; S854-F857 PolarHBondContact O-N 3.41Å; S854-F857 VanDerWaalsContact O-N 3.14Å; Y855-F857 VanDerWaalsContact C-N 3.34Å; Y855-F857 PolarHBondContact O-N 3.24Å; F857-F860 PolarHBondContact O-N 3.34Å; F857-C861 WeakPolarHBondContact O-CB 3.37Å; F857-C861 PolarHBondContact O-N 3.48Å |
| 858 | V | 89.2 | Confident | 89.7 | Confident | 36 Ų | 36 | 25.4 Ų | 25.4 | 22% | 0.218 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.6 | -46.5 | 176.5 | 173 | 0 | 0 | 0 | 0 | 111 | V852 S854 Y855 F860 C861 K862 | V852-V858 WeakPolarHBondContact O-CG2 3.24Å; S854-V858 WeakPolarHBondContact O-CG2 3.39Å; S854-V858 PolarHBondContact O-N 3.28Å; Y855-V858 PolarHBondContact O-N 3.2Å; V858-F860 VanDerWaalsContact C-N 3.28Å; V858-F860 PolarHBondContact O-N 3.42Å; V858-C861 PolarHBondContact O-N 2.89Å; V858-K862 HydrophobicContact CG1-CD 4.08Å; V858-K862 HydrophobicContact CG1-CG 4.39Å; V858-K862 WeakPolarHBondContact O-CB 3.32Å; V858-K862 WeakPolarHBondContact O-CG 3.44Å; V858-K862 PolarHBondContact O-N 2.92Å |
| 859 | A | 90.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.7 | -44 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | L784 T790 Y855 T863 | L784-A859 HydrophobicContact CD1-CB 4.44Å; L784-A859 HydrophobicContact CD2-CB 3.72Å; T790-A859 HydrophobicContact CG2-CB 4.37Å; Y855-A859 HydrophobicContact CD1-CB 4.48Å; Y855-A859 HydrophobicContact CE1-CB 4.13Å; Y855-A859 HydrophobicContact CE2-CB 4.22Å; Y855-A859 WeakPolarHBondContact O-CB 3.33Å; Y855-A859 PolarHBondContact O-N 2.73Å; A859-T863 WeakPolarHBondContact O-CB 3.27Å; A859-T863 PolarHBondContact O-N 3.13Å; A859-T863 PolarHBondContact O-OG1 3.06Å |
| 860 | F | 90.6 | Very high | 90.3 | Very high | 5 Ų | 5 | 26.7 Ų | 26.7 | 2% | 0.022 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.2 | -49 | 175.7 | -171.4 | -86.4 | 0 | 0 | 0 | 112.5 | V353 L357 T793 M796 V846 L849 M856 F857 V858 T863 V864 | V353-F860 HydrophobicContact CB-CE2 4.35Å; V353-F860 HydrophobicContact CB-CZ 4.08Å; V353-F860 HydrophobicContact CG1-CD1 3.86Å; V353-F860 HydrophobicContact CG1-CD2 4.27Å; V353-F860 HydrophobicContact CG1-CE1 3.3Å; V353-F860 HydrophobicContact CG1-CE2 3.78Å; V353-F860 HydrophobicContact CG1-CG 4.25Å; V353-F860 HydrophobicContact CG1-CZ 3.17Å; L357-F860 HydrophobicContact CD1-CE1 4.18Å; L357-F860 HydrophobicContact CD1-CE2 3.94Å; L357-F860 HydrophobicContact CD1-CZ 3.26Å; L357-F860 HydrophobicContact CD2-CE1 3.56Å; L357-F860 HydrophobicContact CD2-CZ 3.55Å; L357-F860 HydrophobicContact CG-CE1 3.84Å; L357-F860 HydrophobicContact CG-CE2 4.5Å; L357-F860 HydrophobicContact CG-CZ 3.4Å; T793-F860 HydrophobicContact CG2-CB 4.31Å; T793-F860 HydrophobicContact CG2-CD2 3.24Å; T793-F860 HydrophobicContact CG2-CE2 3.77Å; T793-F860 HydrophobicContact CG2-CG 3.87Å; M796-F860 HydrophobicContact CE-CE2 4.15Å; M796-F860 HydrophobicContact CE-CZ 4.09Å; M796-F860 HydrophobicContact SD-CE2 3.91Å; M796-F860 HydrophobicContact SD-CZ 4.29Å; V846-F860 HydrophobicContact CG1-CD1 4.2Å; V846-F860 HydrophobicContact CG1-CE1 4.38Å; V846-F860 HydrophobicContact CG2-CE1 4.48Å; L849-F860 HydrophobicContact CD1-CD1 4.13Å; L849-F860 HydrophobicContact CD1-CE1 4.2Å; M856-F860 VanDerWaalsContact O-CB 3.26Å; M856-F860 WeakPolarHBondContact O-CB 3.49Å; M856-F860 PolarHBondContact O-N 2.9Å; F857-F860 PolarHBondContact O-N 3.34Å; V858-F860 VanDerWaalsContact C-N 3.28Å; V858-F860 PolarHBondContact O-N 3.42Å; F860-T863 PolarHBondContact O-N 3.42Å; F860-V864 HydrophobicContact CD1-CG2 4.13Å; F860-V864 HydrophobicContact CE1-CG2 4.07Å; F860-V864 VanDerWaalsContact O-CG2 3.29Å; F860-V864 WeakPolarHBondContact O-CG2 3.41Å; F860-V864 PolarHBondContact O-N 3.42Å |
| 861 | C | 92.2 | Very high | 90.7 | Very high | 7 Ų | 7 | 24.2 Ų | 24.2 | 5% | 0.047 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.8 | -51.3 | 178.3 | -177.2 | 0 | 0 | 0 | 0 | 111.6 | V846 F857 V858 T863 V864 L865 | V846-C861 HydrophobicContact CG1-CB 4.02Å; F857-C861 WeakPolarHBondContact O-CB 3.37Å; F857-C861 PolarHBondContact O-N 3.48Å; V858-C861 PolarHBondContact O-N 2.89Å; C861-T863 VanDerWaalsContact C-N 3.33Å; C861-T863 PolarHBondContact O-N 3.09Å; C861-V864 PolarHBondContact O-N 3.23Å; C861-L865 WeakPolarHBondContact O-CG 3.45Å; C861-L865 PolarHBondContact O-N 2.82Å |
| 862 | K | 93 | Very high | 91.1 | Very high | 54 Ų | 54 | 19.6 Ų | 19.6 | 24% | 0.235 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -56.5 | -46.7 | 178.6 | -76.1 | 178.6 | 176.4 | -177.7 | 0 | 111.7 | W782 L784 V858 L865 L866 | W782-K862 HydrophobicContact CD2-CB 4.2Å; W782-K862 HydrophobicContact CD2-CD 3.92Å; W782-K862 HydrophobicContact CD2-CG 4.03Å; W782-K862 HydrophobicContact CE3-CB 3.8Å; W782-K862 HydrophobicContact CE3-CD 4.38Å; W782-K862 HydrophobicContact CE3-CG 4.08Å; W782-K862 HydrophobicContact CG-CD 4.15Å; W782-K862 HydrophobicContact CH2-CB 4.2Å; W782-K862 HydrophobicContact CH2-CG 3.99Å; W782-K862 HydrophobicContact CZ2-CD 4.41Å; W782-K862 HydrophobicContact CZ2-CG 3.92Å; W782-K862 HydrophobicContact CZ3-CB 3.81Å; W782-K862 HydrophobicContact CZ3-CG 4.06Å; W782-K862 WeakPolarHBondContact CZ3-O 3.27Å; L784-K862 HydrophobicContact CD1-CB 3.81Å; L784-K862 HydrophobicContact CD1-CD 4.02Å; L784-K862 HydrophobicContact CD2-CD 4.25Å; L784-K862 HydrophobicContact CG-CD 4.29Å; V858-K862 HydrophobicContact CG1-CD 4.08Å; V858-K862 HydrophobicContact CG1-CG 4.39Å; V858-K862 WeakPolarHBondContact O-CB 3.32Å; V858-K862 WeakPolarHBondContact O-CG 3.44Å; V858-K862 PolarHBondContact O-N 2.92Å; K862-L865 PolarHBondContact O-N 3.41Å; K862-L866 WeakPolarHBondContact O-CG 3.38Å; K862-L866 PolarHBondContact O-N 3.3Å |
| 863 | T | 93.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -68.6 | -41.8 | -177 | -49.3 | 0 | 0 | 0 | 0 | 111.6 | V775 M779 T793 A859 F860 C861 L865 L866 I867 | V775-T863 HydrophobicContact CG1-CG2 3.8Å; M779-T863 HydrophobicContact SD-CG2 4.22Å; T793-T863 VanDerWaalsContact OG1-CG2 3.32Å; T793-T863 WeakPolarHBondContact OG1-CG2 3.46Å; A859-T863 WeakPolarHBondContact O-CB 3.27Å; A859-T863 PolarHBondContact O-N 3.13Å; A859-T863 PolarHBondContact O-OG1 3.06Å; F860-T863 PolarHBondContact O-N 3.42Å; C861-T863 VanDerWaalsContact C-N 3.33Å; C861-T863 PolarHBondContact O-N 3.09Å; T863-L865 VanDerWaalsContact C-N 3.33Å; T863-L865 PolarHBondContact O-N 3.02Å; T863-L866 WeakPolarHBondContact O-CB 3.39Å; T863-L866 PolarHBondContact O-N 2.81Å; T863-L866 VanDerWaalsContact O-N 3.14Å; T863-I867 HydrophobicContact CG2-CD1 4.05Å; T863-I867 HydrophobicContact CG2-CG1 4.48Å; T863-I867 VanDerWaalsContact O-CG1 3.26Å; T863-I867 WeakPolarHBondContact O-CG1 3.37Å; T863-I867 PolarHBondContact O-N 2.94Å |
| 864 | V | 92.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.7 | -38.4 | 175.1 | 175.7 | 0 | 0 | 0 | 0 | 111.8 | L357 M796 T842 V846 F860 C861 L866 I867 I868 | L357-V864 HydrophobicContact CD2-CG2 4.08Å; M796-V864 HydrophobicContact CE-CG2 3.66Å; T842-V864 HydrophobicContact CG2-CG1 4.05Å; V846-V864 HydrophobicContact CB-CG1 4.43Å; V846-V864 HydrophobicContact CG1-CB 4.24Å; V846-V864 HydrophobicContact CG1-CG1 4.43Å; V846-V864 HydrophobicContact CG2-CG1 4.03Å; F860-V864 HydrophobicContact CD1-CG2 4.13Å; F860-V864 HydrophobicContact CE1-CG2 4.07Å; F860-V864 VanDerWaalsContact O-CG2 3.29Å; F860-V864 WeakPolarHBondContact O-CG2 3.41Å; F860-V864 PolarHBondContact O-N 3.42Å; C861-V864 PolarHBondContact O-N 3.23Å; V864-L866 VanDerWaalsContact C-N 3.3Å; V864-L866 PolarHBondContact O-N 2.8Å; V864-I867 PolarHBondContact O-N 2.63Å; V864-I868 HydrophobicContact CG1-CG1 4.07Å; V864-I868 WeakPolarHBondContact O-CG1 3.39Å; V864-I868 PolarHBondContact O-N 3.22Å |
| 865 | L | 94.2 | Very high | 92.3 | Very high | 54 Ų | 54 | 18.6 Ų | 18.6 | 28% | 0.283 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -60.6 | -40.5 | 173.7 | -69.2 | 174.4 | 0 | 0 | 0 | 111.9 | W782 V843 C861 K862 T863 G869 | W782-L865 HydrophobicContact CH2-CD1 4.43Å; V843-L865 HydrophobicContact CB-CD2 4.21Å; V843-L865 HydrophobicContact CG1-CD2 3.67Å; V843-L865 HydrophobicContact CG2-CD2 3.92Å; C861-L865 WeakPolarHBondContact O-CG 3.45Å; C861-L865 PolarHBondContact O-N 2.82Å; K862-L865 PolarHBondContact O-N 3.41Å; T863-L865 VanDerWaalsContact C-N 3.33Å; T863-L865 PolarHBondContact O-N 3.02Å; L865-G869 PolarHBondContact O-N 2.65Å |
| 866 | L | 95 | Very high | 92.5 | Very high | 24 Ų | 24 | 17.1 Ų | 17.1 | 13% | 0.126 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.2 | -49.3 | 173.7 | -69.1 | 176 | 0 | 0 | 0 | 111.3 | M779 W782 K862 T863 V864 I868 G869 I870 | M779-L866 HydrophobicContact CB-CD1 4.19Å; W782-L866 HydrophobicContact CE3-CD1 3.95Å; W782-L866 HydrophobicContact CE3-CD2 4.02Å; W782-L866 HydrophobicContact CE3-CG 3.88Å; W782-L866 HydrophobicContact CZ3-CD1 4.43Å; W782-L866 HydrophobicContact CZ3-CD2 3.99Å; W782-L866 HydrophobicContact CZ3-CG 3.86Å; K862-L866 WeakPolarHBondContact O-CG 3.38Å; K862-L866 PolarHBondContact O-N 3.3Å; T863-L866 WeakPolarHBondContact O-CB 3.39Å; T863-L866 PolarHBondContact O-N 2.81Å; T863-L866 VanDerWaalsContact O-N 3.14Å; V864-L866 VanDerWaalsContact C-N 3.3Å; V864-L866 PolarHBondContact O-N 2.8Å; L866-I868 PolarHBondContact O-N 2.58Å; L866-G869 PolarHBondContact O-N 2.86Å; L866-I870 HydrophobicContact CB-CD1 4.36Å; L866-I870 WeakPolarHBondContact O-CB 3.43Å; L866-I870 WeakPolarHBondContact O-CG1 3.39Å; L866-I870 PolarHBondContact O-N 3.26Å |
| 867 | I | 94.2 | Very high | 92.8 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -56.7 | -51.1 | -179.1 | -67.3 | 162.9 | 0 | 0 | 0 | 110.6 | V775 T793 F800 T863 V864 G871 | V775-I867 HydrophobicContact CG1-CG1 3.89Å; V775-I867 HydrophobicContact CG2-CB 4.45Å; V775-I867 HydrophobicContact CG2-CG1 3.77Å; T793-I867 WeakPolarHBondContact O-CD1 3.48Å; F800-I867 HydrophobicContact CB-CG2 4.14Å; T863-I867 HydrophobicContact CG2-CD1 4.05Å; T863-I867 HydrophobicContact CG2-CG1 4.48Å; T863-I867 VanDerWaalsContact O-CG1 3.26Å; T863-I867 WeakPolarHBondContact O-CG1 3.37Å; T863-I867 PolarHBondContact O-N 2.94Å; V864-I867 PolarHBondContact O-N 2.63Å; I867-G871 WeakPolarHBondContact O-CA 2.98Å; I867-G871 PolarHBondContact O-N 3.36Å |
| 868 | I | 93.9 | Very high | 93 | Very high | 6 Ų | 6 | 19 Ų | 19 | 3% | 0.031 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -70.5 | -43.8 | -177.1 | -60.9 | -61.4 | 0 | 0 | 0 | 111.1 | F804 G839 T842 V843 V864 L866 G871 V872 | F804-I868 HydrophobicContact CE2-CD1 3.94Å; F804-I868 HydrophobicContact CZ-CD1 3.92Å; G839-I868 WeakPolarHBondContact O-CG2 3.24Å; T842-I868 HydrophobicContact CG2-CD1 3.76Å; T842-I868 HydrophobicContact CG2-CG1 3.81Å; V843-I868 HydrophobicContact CG2-CB 4.37Å; V843-I868 HydrophobicContact CG2-CG2 3.98Å; V864-I868 HydrophobicContact CG1-CG1 4.07Å; V864-I868 WeakPolarHBondContact O-CG1 3.39Å; V864-I868 PolarHBondContact O-N 3.22Å; L866-I868 PolarHBondContact O-N 2.58Å; I868-G871 PolarHBondContact O-N 3.04Å; I868-V872 HydrophobicContact CG2-CG2 4.15Å; I868-V872 WeakPolarHBondContact O-CB 3.44Å; I868-V872 VanDerWaalsContact O-CG2 3.27Å; I868-V872 WeakPolarHBondContact O-CG2 3.44Å; I868-V872 PolarHBondContact O-N 3.04Å |
| 869 | G | 93.6 | Very high | 93.1 | Very high | 36 Ų | 36 | 17.2 Ų | 17.2 | 37% | 0.371 | 10% | 0.098 | S | C | . | . | H | α-helix | trans | -59.7 | -50.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L865 L866 I873 | L865-G869 PolarHBondContact O-N 2.65Å; L866-G869 PolarHBondContact O-N 2.86Å; G869-I873 WeakPolarHBondContact O-CD1 3.42Å; G869-I873 WeakPolarHBondContact O-CG1 3.33Å; G869-I873 PolarHBondContact O-N 3.17Å |
| 870 | I | 95.4 | Very high | 93.1 | Very high | 15 Ų | 15 | 17.4 Ų | 17.4 | 8% | 0.077 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -68.1 | -42.6 | 179.4 | -63.6 | 171.7 | 0 | 0 | 0 | 110.4 | Y537 I771 V775 Y778 L866 I873 H874 | Y537-I870 HydrophobicContact CE2-CD1 4.22Å; Y537-I870 HydrophobicContact CE2-CG1 4.29Å; Y537-I870 HydrophobicContact CE2-CG2 3.92Å; Y537-I870 WeakPolarHBondContact OH-CG2 3.38Å; I771-I870 HydrophobicContact CB-CG2 4.21Å; I771-I870 HydrophobicContact CG1-CG2 4.05Å; I771-I870 HydrophobicContact CG2-CB 4.47Å; I771-I870 HydrophobicContact CG2-CG2 3.93Å; V775-I870 HydrophobicContact CG2-CD1 4.14Å; Y778-I870 HydrophobicContact CD2-CD1 3.94Å; L866-I870 HydrophobicContact CB-CD1 4.36Å; L866-I870 WeakPolarHBondContact O-CB 3.43Å; L866-I870 WeakPolarHBondContact O-CG1 3.39Å; L866-I870 PolarHBondContact O-N 3.26Å; I870-I873 PolarHBondContact O-N 3.03Å; I870-H874 VanDerWaalsContact CG2-CE1 3.45Å; I870-H874 WeakPolarHBondContact CG2-CE1 3.49Å; I870-H874 WeakPolarHBondContact CG2-ND1 3.42Å; I870-H874 PolarHBondContact O-N 2.78Å; I870-H874 PolarHBondContact O-ND1 3.13Å |
| 871 | G | 93.7 | Very high | 93 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.8 | -44.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | I867 I868 H874 G875 | I867-G871 WeakPolarHBondContact O-CA 2.98Å; I867-G871 PolarHBondContact O-N 3.36Å; I868-G871 PolarHBondContact O-N 3.04Å; G871-H874 PolarHBondContact O-N 3.46Å; G871-G875 PolarHBondContact O-N 2.84Å |
| 872 | V | 93.9 | Very high | 92.8 | Very high | 27 Ų | 27 | 19 Ų | 19 | 16% | 0.164 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.6 | -41.3 | 176 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | F804 I835 V836 I868 G875 I876 | F804-V872 HydrophobicContact CD2-CG2 4.15Å; F804-V872 HydrophobicContact CE2-CG2 3.93Å; F804-V872 HydrophobicContact CZ-CG2 4.13Å; I835-V872 HydrophobicContact CG2-CG1 4.44Å; I835-V872 HydrophobicContact CG2-CG2 4.31Å; V836-V872 HydrophobicContact CG2-CG1 4.49Å; I868-V872 HydrophobicContact CG2-CG2 4.15Å; I868-V872 WeakPolarHBondContact O-CB 3.44Å; I868-V872 VanDerWaalsContact O-CG2 3.27Å; I868-V872 WeakPolarHBondContact O-CG2 3.44Å; I868-V872 PolarHBondContact O-N 3.04Å; V872-G875 PolarHBondContact O-N 3.01Å; V872-I876 HydrophobicContact CG1-CD1 3.83Å; V872-I876 HydrophobicContact CG1-CG1 4.47Å; V872-I876 WeakPolarHBondContact O-CB 3.37Å; V872-I876 PolarHBondContact O-N 3.29Å |
| 873 | I | 94.4 | Very high | 92.4 | Very high | 81 Ų | 81 | 16.8 Ų | 16.8 | 42% | 0.415 | 10% | 0.096 | S | C | . | . | H | α-helix | trans | -62 | -43.7 | 175.1 | -68.2 | 168.4 | 0 | 0 | 0 | 110.5 | G869 I870 V877 F878 | G869-I873 WeakPolarHBondContact O-CD1 3.42Å; G869-I873 WeakPolarHBondContact O-CG1 3.33Å; G869-I873 PolarHBondContact O-N 3.17Å; I870-I873 PolarHBondContact O-N 3.03Å; I873-V877 HydrophobicContact CG2-CB 4.34Å; I873-V877 HydrophobicContact CG2-CG2 4.25Å; I873-V877 WeakPolarHBondContact O-CA 3.42Å; I873-V877 WeakPolarHBondContact O-CB 3.42Å; I873-V877 WeakPolarHBondContact O-CG2 3.38Å; I873-V877 PolarHBondContact O-N 3.24Å; I873-F878 HydrophobicContact CG2-CD2 3.92Å; I873-F878 HydrophobicContact CG2-CE2 3.46Å; I873-F878 VanDerWaalsContact CG2-CE2 3.46Å; I873-F878 HydrophobicContact CG2-CZ 3.82Å; I873-F878 PolarHBondContact O-N 3.33Å |
| 874 | H | 93.8 | Very high | 92 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | I | π-helix | trans | -62.8 | -49 | 176.6 | -80.4 | 71.8 | 0 | 0 | 0 | 111.9 | Y534 Y537 S770 I771 I870 G871 I876 F878 L879 | Y534-H874 AromaticContact CE2-NE2 3.96Å; Y537-H874 AromaticContact CE1-CE1 3.53Å; Y537-H874 AromaticContact CE1-NE2 3.73Å; Y537-H874 AromaticContact CZ-CE1 3.5Å; Y537-H874 PolarHBondContact OH-CE1 3.2Å; S770-H874 PolarHBondContact OG-NE2 3.31Å; I771-H874 HydrophobicContact CD1-CB 3.67Å; I771-H874 HydrophobicContact CG1-CB 3.86Å; I870-H874 VanDerWaalsContact CG2-CE1 3.45Å; I870-H874 WeakPolarHBondContact CG2-CE1 3.49Å; I870-H874 WeakPolarHBondContact CG2-ND1 3.42Å; I870-H874 PolarHBondContact O-N 2.78Å; I870-H874 PolarHBondContact O-ND1 3.13Å; G871-H874 PolarHBondContact O-N 3.46Å; H874-I876 PolarHBondContact O-N 3.48Å; H874-F878 HydrophobicContact CB-CD2 4.45Å; H874-F878 AromaticContact CD2-CD2 3.81Å; H874-F878 AromaticContact CE1-CD2 3.69Å; H874-F878 AromaticContact CE1-CE2 3.84Å; H874-F878 AromaticContact CG-CD2 3.76Å; H874-F878 AromaticContact ND1-CD2 3.68Å; H874-F878 AromaticContact NE2-CD2 3.76Å; H874-F878 PolarHBondContact O-N 3.39Å; H874-L879 WeakPolarHBondContact O-CB 3.31Å; H874-L879 PolarHBondContact O-N 2.84Å |
| 875 | G | 90.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | I | π-helix | trans | -62.9 | -41.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | I808 G871 V872 P880 | I808-G875 WeakPolarHBondContact CG1-O 2.97Å; G871-G875 PolarHBondContact O-N 2.84Å; V872-G875 PolarHBondContact O-N 3.01Å; G875-P880 WeakPolarHBondContact O-CD 3.41Å |
| 876 | I | 92.6 | Very high | 90.7 | Very high | 10 Ų | 10 | 19.8 Ų | 19.8 | 5% | 0.051 | 11% | 0.114 | C | C | . | . | I | π-helix | trans | -94.1 | -30.7 | -173 | -65 | -178.1 | 0 | 0 | 0 | 113.1 | F513 F517 L828 I835 V836 V872 H874 | F513-I876 HydrophobicContact CE1-CD1 4.47Å; F513-I876 HydrophobicContact CE1-CG2 3.9Å; F513-I876 HydrophobicContact CZ-CD1 4.39Å; F517-I876 HydrophobicContact CD1-CG2 4.37Å; F517-I876 HydrophobicContact CE1-CG2 3.4Å; F517-I876 VanDerWaalsContact CE1-CG2 3.4Å; F517-I876 HydrophobicContact CZ-CG2 3.81Å; L828-I876 HydrophobicContact CD2-CG2 4.15Å; I835-I876 HydrophobicContact CB-CD1 4.34Å; I835-I876 HydrophobicContact CG2-CD1 3.89Å; I835-I876 HydrophobicContact CG2-CG1 4.11Å; V836-I876 HydrophobicContact CG2-CD1 3.58Å; V872-I876 HydrophobicContact CG1-CD1 3.83Å; V872-I876 HydrophobicContact CG1-CG1 4.47Å; V872-I876 WeakPolarHBondContact O-CB 3.37Å; V872-I876 PolarHBondContact O-N 3.29Å; H874-I876 PolarHBondContact O-N 3.48Å |
| 877 | V | 93.1 | Very high | 89.5 | Confident | 31 Ų | 31 | 18.9 Ų | 18.9 | 19% | 0.188 | 11% | 0.109 | C | C | . | . | I | π-helix | trans | -109.7 | -62.7 | -171.1 | -167.9 | 0 | 0 | 0 | 0 | 111.7 | F517 L521 V530 I873 | F517-V877 HydrophobicContact CZ-CG2 4.2Å; L521-V877 HydrophobicContact CD2-CG1 4.38Å; V530-V877 HydrophobicContact CG1-CG1 4.01Å; V530-V877 HydrophobicContact CG2-CG1 3.79Å; I873-V877 HydrophobicContact CG2-CB 4.34Å; I873-V877 HydrophobicContact CG2-CG2 4.25Å; I873-V877 WeakPolarHBondContact O-CA 3.42Å; I873-V877 WeakPolarHBondContact O-CB 3.42Å; I873-V877 WeakPolarHBondContact O-CG2 3.38Å; I873-V877 PolarHBondContact O-N 3.24Å |
| 878 | F | 92.9 | Very high | 88.1 | Confident | 10 Ų | 10 | 23.4 Ų | 23.4 | 4% | 0.044 | 13% | 0.13 | C | C | . | . | I | π-helix | trans | -73.3 | -49.4 | -170 | -61.4 | -43.6 | 0 | 0 | 0 | 112.5 | V530 L533 Y534 I873 H874 V881 F882 | V530-F878 HydrophobicContact CG1-CD1 3.64Å; V530-F878 HydrophobicContact CG1-CE1 4.21Å; L533-F878 HydrophobicContact CB-CE1 4.3Å; Y534-F878 HydrophobicContact CD2-CB 4.45Å; Y534-F878 HydrophobicContact CD2-CD1 4.04Å; Y534-F878 AromaticContact CD2-CD2 3.91Å; Y534-F878 HydrophobicContact CD2-CD2 3.91Å; Y534-F878 HydrophobicContact CD2-CE1 4.25Å; Y534-F878 HydrophobicContact CD2-CE2 4.09Å; Y534-F878 AromaticContact CD2-CG 3.9Å; Y534-F878 HydrophobicContact CD2-CG 3.9Å; Y534-F878 HydrophobicContact CD2-CZ 4.28Å; Y534-F878 HydrophobicContact CG-CD1 4.45Å; I873-F878 HydrophobicContact CG2-CD2 3.92Å; I873-F878 HydrophobicContact CG2-CE2 3.46Å; I873-F878 VanDerWaalsContact CG2-CE2 3.46Å; I873-F878 HydrophobicContact CG2-CZ 3.82Å; I873-F878 PolarHBondContact O-N 3.33Å; H874-F878 HydrophobicContact CB-CD2 4.45Å; H874-F878 AromaticContact CD2-CD2 3.81Å; H874-F878 AromaticContact CE1-CD2 3.69Å; H874-F878 AromaticContact CE1-CE2 3.84Å; H874-F878 AromaticContact CG-CD2 3.76Å; H874-F878 AromaticContact ND1-CD2 3.68Å; H874-F878 AromaticContact NE2-CD2 3.76Å; H874-F878 PolarHBondContact O-N 3.39Å; F878-V881 PolarHBondContact O-N 3.24Å; F878-F882 HydrophobicContact CB-CD2 4.21Å; F878-F882 HydrophobicContact CB-CE2 3.77Å; F878-F882 HydrophobicContact CB-CZ 4.49Å; F878-F882 VanDerWaalsContact O-CD2 3.24Å; F878-F882 WeakPolarHBondContact O-CD2 3.21Å; F878-F882 WeakPolarHBondContact O-CG 3.22Å; F878-F882 PolarHBondContact O-N 3.31Å |
| 879 | L | 90.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.4 | -46.2 | -174.2 | 179.9 | 70.2 | 0 | 0 | 0 | 113.3 | C763 V764 S767 S805 I808 A809 H874 V881 F882 I883 | C763-L879 HydrophobicContact CB-CD1 3.89Å; V764-L879 HydrophobicContact CG2-CD2 4.47Å; S767-L879 WeakPolarHBondContact OG-CD1 3.2Å; S805-L879 WeakPolarHBondContact O-CD2 3.47Å; I808-L879 HydrophobicContact CG2-CD2 4.45Å; A809-L879 HydrophobicContact CB-CD2 4.34Å; H874-L879 WeakPolarHBondContact O-CB 3.31Å; H874-L879 PolarHBondContact O-N 2.84Å; L879-V881 VanDerWaalsContact C-N 3.25Å; L879-V881 PolarHBondContact O-N 3.18Å; L879-F882 PolarHBondContact O-N 3.33Å; L879-I883 HydrophobicContact CD1-CD1 3.81Å; L879-I883 HydrophobicContact CD1-CG1 4Å; L879-I883 HydrophobicContact CD2-CD1 4.39Å; L879-I883 HydrophobicContact CG-CD1 3.77Å; L879-I883 HydrophobicContact CG-CG1 4.3Å; L879-I883 WeakPolarHBondContact O-CB 3.25Å; L879-I883 WeakPolarHBondContact O-CG1 3.27Å; L879-I883 PolarHBondContact O-N 3.4Å |
| 880 | P | 89.7 | Confident | 85.2 | Confident | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.019 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.6 | -36.8 | 176.9 | -26.7 | 36.6 | 0 | 0 | 0 | 113.2 | I808 L828 G875 S884 | I808-P880 HydrophobicContact CG2-CG 4.01Å; L828-P880 HydrophobicContact CD2-CG 4.24Å; G875-P880 WeakPolarHBondContact O-CD 3.41Å; P880-S884 VanDerWaalsContact O-CB 3.27Å; P880-S884 WeakPolarHBondContact O-CB 3.34Å; P880-S884 PolarHBondContact O-N 3.44Å |
| 881 | V | 89.7 | Confident | 83.8 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.4 | -44.7 | 177.7 | 170.9 | 0 | 0 | 0 | 0 | 111 | L521 K527 V530 F878 L879 S884 L885 | L521-V881 HydrophobicContact CB-CG2 4.35Å; L521-V881 HydrophobicContact CD2-CG2 4.05Å; K527-V881 HydrophobicContact CB-CG1 4.19Å; K527-V881 HydrophobicContact CG-CG1 4.03Å; V530-V881 HydrophobicContact CB-CG1 4.43Å; V530-V881 HydrophobicContact CB-CG2 4.16Å; V530-V881 HydrophobicContact CG1-CB 4.01Å; V530-V881 HydrophobicContact CG1-CG1 4.19Å; V530-V881 HydrophobicContact CG1-CG2 3.9Å; V530-V881 HydrophobicContact CG2-CG2 4.2Å; F878-V881 PolarHBondContact O-N 3.24Å; L879-V881 VanDerWaalsContact C-N 3.25Å; L879-V881 PolarHBondContact O-N 3.18Å; V881-S884 WeakPolarHBondContact O-CB 3.41Å; V881-S884 PolarHBondContact O-N 2.57Å; V881-L885 HydrophobicContact CG1-CD1 3.92Å; V881-L885 HydrophobicContact CG1-CG 4.34Å; V881-L885 WeakPolarHBondContact O-CG 3.37Å; V881-L885 PolarHBondContact O-N 3.02Å |
| 882 | F | 88.5 | Confident | 82.1 | Confident | 47 Ų | 47 | 38.1 Ų | 38.1 | 21% | 0.206 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.2 | -42 | 177.3 | -65.2 | -39.2 | 0 | 0 | 0 | 112.9 | Y534 F878 L879 S884 L885 T886 | Y534-F882 HydrophobicContact CD1-CE1 4.48Å; Y534-F882 HydrophobicContact CD1-CE2 4.44Å; Y534-F882 AromaticContact CD1-CZ 3.62Å; Y534-F882 HydrophobicContact CD1-CZ 3.62Å; Y534-F882 AromaticContact CD2-CE2 3.94Å; Y534-F882 HydrophobicContact CD2-CE2 3.94Å; Y534-F882 AromaticContact CD2-CZ 3.79Å; Y534-F882 HydrophobicContact CD2-CZ 3.79Å; Y534-F882 HydrophobicContact CE1-CE2 4.38Å; Y534-F882 AromaticContact CE1-CZ 3.86Å; Y534-F882 HydrophobicContact CE1-CZ 3.86Å; Y534-F882 AromaticContact CE2-CE2 3.9Å; Y534-F882 HydrophobicContact CE2-CE2 3.9Å; Y534-F882 HydrophobicContact CE2-CZ 4.03Å; Y534-F882 HydrophobicContact CG-CE2 4.22Å; Y534-F882 AromaticContact CG-CZ 3.58Å; Y534-F882 HydrophobicContact CG-CZ 3.58Å; F878-F882 HydrophobicContact CB-CD2 4.21Å; F878-F882 HydrophobicContact CB-CE2 3.77Å; F878-F882 HydrophobicContact CB-CZ 4.49Å; F878-F882 VanDerWaalsContact O-CD2 3.24Å; F878-F882 WeakPolarHBondContact O-CD2 3.21Å; F878-F882 WeakPolarHBondContact O-CG 3.22Å; F878-F882 PolarHBondContact O-N 3.31Å; L879-F882 PolarHBondContact O-N 3.33Å; F882-S884 VanDerWaalsContact C-N 3.3Å; F882-S884 PolarHBondContact O-N 2.87Å; F882-L885 PolarHBondContact O-N 3.34Å; F882-T886 VanDerWaalsContact O-CG2 3.3Å; F882-T886 WeakPolarHBondContact O-CG2 3.44Å; F882-T886 PolarHBondContact O-N 3.22Å; F882-T886 PolarHBondContact O-OG1 2.94Å |
| 883 | I | 84.8 | Confident | 80.8 | Confident | 6 Ų | 6 | 41.1 Ų | 41.1 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63 | -39.7 | 173.3 | -65.9 | 175.2 | 0 | 0 | 0 | 110.5 | C763 A809 Y812 L879 T886 I887 | C763-I883 HydrophobicContact CB-CG1 4.04Å; A809-I883 HydrophobicContact CB-CD1 4.17Å; Y812-I883 HydrophobicContact CD1-CG2 3.51Å; Y812-I883 HydrophobicContact CD2-CG2 4.27Å; Y812-I883 HydrophobicContact CE1-CG2 3.29Å; Y812-I883 HydrophobicContact CE2-CG2 4.04Å; Y812-I883 HydrophobicContact CG-CG2 4.02Å; L879-I883 HydrophobicContact CD1-CD1 3.81Å; L879-I883 HydrophobicContact CD1-CG1 4Å; L879-I883 HydrophobicContact CD2-CD1 4.39Å; L879-I883 HydrophobicContact CG-CD1 3.77Å; L879-I883 HydrophobicContact CG-CG1 4.3Å; L879-I883 WeakPolarHBondContact O-CB 3.25Å; L879-I883 WeakPolarHBondContact O-CG1 3.27Å; L879-I883 PolarHBondContact O-N 3.4Å; I883-T886 PolarHBondContact O-OG1 3Å; I883-T886 VanDerWaalsContact O-OG1 3.08Å; I883-I887 HydrophobicContact CG2-CD1 3.68Å; I883-I887 WeakPolarHBondContact O-CB 3.48Å; I883-I887 VanDerWaalsContact O-CG1 3.31Å; I883-I887 WeakPolarHBondContact O-CG1 3.41Å; I883-I887 PolarHBondContact O-N 2.94Å |
| 884 | S | 84 | Confident | 79.4 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.014 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.7 | -45.8 | 176.5 | -173.7 | 0 | 0 | 0 | 0 | 112.5 | K527 T820 P880 V881 F882 H888 | K527-S884 WeakPolarHBondContact CE-OG 3.45Å; K527-S884 PolarHBondContact NZ-OG 3.34Å; T820-S884 WeakPolarHBondContact CG2-OG 3.5Å; P880-S884 VanDerWaalsContact O-CB 3.27Å; P880-S884 WeakPolarHBondContact O-CB 3.34Å; P880-S884 PolarHBondContact O-N 3.44Å; V881-S884 WeakPolarHBondContact O-CB 3.41Å; V881-S884 PolarHBondContact O-N 2.57Å; F882-S884 VanDerWaalsContact C-N 3.3Å; F882-S884 PolarHBondContact O-N 2.87Å; S884-H888 VanDerWaalsContact O-CB 3.24Å; S884-H888 WeakPolarHBondContact O-CB 3.08Å; S884-H888 PolarHBondContact O-N 2.93Å |
| 885 | L | 83.1 | Confident | 77.9 | Confident | 68 Ų | 68 | 48.7 Ų | 48.7 | 36% | 0.356 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.5 | -48.4 | -178.4 | -71.7 | 170.8 | 0 | 0 | 0 | 111.8 | K527 V531 V881 F882 I887 H888 E889 | K527-L885 HydrophobicContact CD-CD2 4.09Å; V531-L885 HydrophobicContact CG2-CD1 4.19Å; V881-L885 HydrophobicContact CG1-CD1 3.92Å; V881-L885 HydrophobicContact CG1-CG 4.34Å; V881-L885 WeakPolarHBondContact O-CG 3.37Å; V881-L885 PolarHBondContact O-N 3.02Å; F882-L885 PolarHBondContact O-N 3.34Å; L885-I887 VanDerWaalsContact C-N 3.28Å; L885-I887 PolarHBondContact O-N 2.97Å; L885-H888 PolarHBondContact O-N 3.01Å; L885-E889 PolarHBondContact O-N 3.36Å; L885-E889 VanDerWaalsContact O-N 3.11Å |
| 886 | T | 77 | Confident | 76.8 | Confident | 47 Ų | 47 | 54.1 Ų | 54.1 | 29% | 0.288 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.3 | -32.9 | -178.9 | 53.7 | 0 | 0 | 0 | 0 | 113.1 | F882 I883 K890 | F882-T886 VanDerWaalsContact O-CG2 3.3Å; F882-T886 WeakPolarHBondContact O-CG2 3.44Å; F882-T886 PolarHBondContact O-N 3.22Å; F882-T886 PolarHBondContact O-OG1 2.94Å; I883-T886 PolarHBondContact O-OG1 3Å; I883-T886 VanDerWaalsContact O-OG1 3.08Å; T886-K890 PolarHBondContact O-N 3.1Å |
| 887 | I | 69.8 | Low | 75.7 | Confident | 6 Ų | 6 | 60 Ų | 60 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -81.8 | -41.9 | 178.4 | -66.6 | 171.8 | 0 | 0 | 0 | 111.5 | Y812 I883 L885 E889 K890 E891 | Y812-I887 HydrophobicContact CD1-CD1 4.5Å; Y812-I887 HydrophobicContact CE1-CD1 3.42Å; Y812-I887 VanDerWaalsContact CE1-CD1 3.42Å; I883-I887 HydrophobicContact CG2-CD1 3.68Å; I883-I887 WeakPolarHBondContact O-CB 3.48Å; I883-I887 VanDerWaalsContact O-CG1 3.31Å; I883-I887 WeakPolarHBondContact O-CG1 3.41Å; I883-I887 PolarHBondContact O-N 2.94Å; L885-I887 VanDerWaalsContact C-N 3.28Å; L885-I887 PolarHBondContact O-N 2.97Å; I887-E889 PolarHBondContact O-N 3.21Å; I887-K890 PolarHBondContact O-N 3.02Å; I887-E891 HydrophobicContact CG2-CG 4.27Å; I887-E891 PolarHBondContact O-N 3.47Å |
| 888 | H | 65.5 | Low | 74.6 | Confident | 95 Ų | 95 | 65.5 Ų | 65.5 | 44% | 0.44 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -57.6 | -40.3 | 177.6 | -170.2 | 59.4 | 0 | 0 | 0 | 111.2 | S884 L885 E891 I892 | S884-H888 VanDerWaalsContact O-CB 3.24Å; S884-H888 WeakPolarHBondContact O-CB 3.08Å; S884-H888 PolarHBondContact O-N 2.93Å; L885-H888 PolarHBondContact O-N 3.01Å; H888-E891 PolarHBondContact O-N 3.02Å; H888-I892 VanDerWaalsContact O-CG1 3.27Å; H888-I892 WeakPolarHBondContact O-CG1 3.43Å; H888-I892 PolarHBondContact O-N 3.38Å |
| 889 | E | 62.7 | Low | 73.6 | Confident | 126 Ų | 126 | 69.6 Ų | 69.6 | 59% | 0.589 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -62.1 | -44 | 173.8 | -168.6 | 174.3 | -170.4 | 0 | 0 | 112.3 | L885 I887 I892 L893 | L885-E889 PolarHBondContact O-N 3.36Å; L885-E889 VanDerWaalsContact O-N 3.11Å; I887-E889 PolarHBondContact O-N 3.21Å; E889-I892 PolarHBondContact O-N 3.3Å; E889-L893 HydrophobicContact CG-CD1 4.23Å; E889-L893 WeakPolarHBondContact O-CB 3.29Å; E889-L893 WeakPolarHBondContact O-CG 3.46Å; E889-L893 PolarHBondContact O-N 3.45Å |
| 890 | K | 62.9 | Low | 72.6 | Confident | 100 Ų | 100 | 78.8 Ų | 78.8 | 44% | 0.435 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.3 | -39.8 | 175.2 | -83.2 | -168.4 | 174.8 | 179.4 | 0 | 113.5 | L759 T886 I887 L893 Q894 | L759-K890 HydrophobicContact CD1-CD 3.54Å; T886-K890 PolarHBondContact O-N 3.1Å; I887-K890 PolarHBondContact O-N 3.02Å; K890-L893 PolarHBondContact O-N 3.38Å; K890-Q894 WeakPolarHBondContact O-CB 3.49Å; K890-Q894 WeakPolarHBondContact O-CG 3.35Å; K890-Q894 PolarHBondContact O-N 2.8Å |
| 891 | E | 65.7 | Low | 71.6 | Confident | 76 Ų | 76 | 81.7 Ų | 81.7 | 36% | 0.355 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.5 | -44.3 | 177.2 | -74.3 | 176.9 | 179.2 | 0 | 0 | 111 | I887 H888 L893 Q894 Q895 | I887-E891 HydrophobicContact CG2-CG 4.27Å; I887-E891 PolarHBondContact O-N 3.47Å; H888-E891 PolarHBondContact O-N 3.02Å; E891-L893 VanDerWaalsContact C-N 3.35Å; E891-L893 PolarHBondContact O-N 2.9Å; E891-Q894 PolarHBondContact O-N 2.95Å; E891-Q895 VanDerWaalsContact O-CB 3.31Å; E891-Q895 WeakPolarHBondContact O-CB 3.24Å; E891-Q895 PolarHBondContact O-N 2.86Å |
| 892 | I | 59.3 | Low | 70.4 | Confident | 65 Ų | 65 | 87 Ų | 87 | 33% | 0.333 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61 | -43.6 | 173.6 | -68.3 | 166.7 | 0 | 0 | 0 | 110.8 | H888 E889 Q895 K896 | H888-I892 VanDerWaalsContact O-CG1 3.27Å; H888-I892 WeakPolarHBondContact O-CG1 3.43Å; H888-I892 PolarHBondContact O-N 3.38Å; E889-I892 PolarHBondContact O-N 3.3Å; I892-Q895 PolarHBondContact O-N 3.25Å; I892-K896 HydrophobicContact CG2-CD 4.02Å; I892-K896 HydrophobicContact CG2-CG 4.41Å; I892-K896 WeakPolarHBondContact O-CB 3.28Å; I892-K896 VanDerWaalsContact O-CG 3.3Å; I892-K896 WeakPolarHBondContact O-CG 3.44Å; I892-K896 PolarHBondContact O-N 3.43Å |
| 893 | L | 64.9 | Low | 69.2 | Low | 90 Ų | 90 | 89.8 Ų | 89.8 | 47% | 0.471 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.8 | -42.4 | 178 | -73.4 | 168.8 | 0 | 0 | 0 | 112 | E889 K890 E891 Q897 | E889-L893 HydrophobicContact CG-CD1 4.23Å; E889-L893 WeakPolarHBondContact O-CB 3.29Å; E889-L893 WeakPolarHBondContact O-CG 3.46Å; E889-L893 PolarHBondContact O-N 3.45Å; K890-L893 PolarHBondContact O-N 3.38Å; E891-L893 VanDerWaalsContact C-N 3.35Å; E891-L893 PolarHBondContact O-N 2.9Å; L893-Q897 WeakPolarHBondContact O-CB 3.36Å; L893-Q897 WeakPolarHBondContact O-CG 3.46Å; L893-Q897 PolarHBondContact O-N 3.35Å |
| 894 | Q | 65.4 | Low | 67.9 | Low | 121 Ų | 121 | 91.5 Ų | 91.5 | 57% | 0.565 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -67.4 | -37.9 | 176.3 | -76 | -177.1 | -4.1 | 0 | 0 | 112.3 | K890 E891 Q897 K898 | K890-Q894 WeakPolarHBondContact O-CB 3.49Å; K890-Q894 WeakPolarHBondContact O-CG 3.35Å; K890-Q894 PolarHBondContact O-N 2.8Å; E891-Q894 PolarHBondContact O-N 2.95Å; Q894-Q897 PolarHBondContact O-N 2.74Å; Q894-K898 PolarHBondContact O-N 3.49Å |
| 895 | Q | 62.6 | Low | 66.5 | Low | 120 Ų | 120 | 96 Ų | 96 | 56% | 0.561 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -67.3 | -44.8 | 176.4 | -169.6 | 164 | -12.9 | 0 | 0 | 110.8 | E891 I892 Q897 K898 E899 | E891-Q895 VanDerWaalsContact O-CB 3.31Å; E891-Q895 WeakPolarHBondContact O-CB 3.24Å; E891-Q895 PolarHBondContact O-N 2.86Å; I892-Q895 PolarHBondContact O-N 3.25Å; Q895-Q897 VanDerWaalsContact C-N 3.32Å; Q895-Q897 PolarHBondContact O-N 2.64Å; Q895-K898 WeakPolarHBondContact O-CB 2.98Å; Q895-K898 PolarHBondContact O-N 3.45Å; Q895-E899 WeakPolarHBondContact O-CB 3.2Å; Q895-E899 WeakPolarHBondContact O-CG 3.42Å; Q895-E899 PolarHBondContact O-N 2.95Å |
| 896 | K | 68.8 | Low | 65 | Low | 114 Ų | 114 | 95 Ų | 95 | 50% | 0.496 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.3 | -36.9 | 171.6 | -74.8 | 178.3 | 178.2 | 178.6 | 0 | 113 | I892 R900 | I892-K896 HydrophobicContact CG2-CD 4.02Å; I892-K896 HydrophobicContact CG2-CG 4.41Å; I892-K896 WeakPolarHBondContact O-CB 3.28Å; I892-K896 VanDerWaalsContact O-CG 3.3Å; I892-K896 WeakPolarHBondContact O-CG 3.44Å; I892-K896 PolarHBondContact O-N 3.43Å; K896-R900 WeakPolarHBondContact O-CB 3.35Å; K896-R900 VanDerWaalsContact O-CG 3.31Å; K896-R900 WeakPolarHBondContact O-CG 3.43Å; K896-R900 PolarHBondContact O-N 3.07Å |
| 897 | Q | 69.2 | Low | 63.7 | Low | 134 Ų | 134 | 98.8 Ų | 98.8 | 63% | 0.626 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -67.5 | -40.7 | 174.3 | -81.5 | -179.9 | -18.7 | 0 | 0 | 111.8 | L893 Q894 Q895 R900 S901 | L893-Q897 WeakPolarHBondContact O-CB 3.36Å; L893-Q897 WeakPolarHBondContact O-CG 3.46Å; L893-Q897 PolarHBondContact O-N 3.35Å; Q894-Q897 PolarHBondContact O-N 2.74Å; Q895-Q897 VanDerWaalsContact C-N 3.32Å; Q895-Q897 PolarHBondContact O-N 2.64Å; Q897-R900 PolarHBondContact O-N 3.48Å; Q897-S901 WeakPolarHBondContact O-CB 3.35Å; Q897-S901 PolarHBondContact O-N 3.48Å; Q897-S901 PolarHBondContact O-OG 3.2Å |
| 898 | K | 69.8 | Low | 62.7 | Low | 146 Ų | 146 | 101.2 Ų | 101.2 | 64% | 0.635 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.1 | -47.5 | 172.5 | -84.6 | -178.4 | 176.8 | 178.3 | 0 | 111.1 | Q894 Q895 S901 I902 | Q894-K898 PolarHBondContact O-N 3.49Å; Q895-K898 WeakPolarHBondContact O-CB 2.98Å; Q895-K898 PolarHBondContact O-N 3.45Å; K898-S901 WeakPolarHBondContact CA-OG 3.42Å; K898-S901 PolarHBondContact O-N 3.35Å; K898-S901 VanDerWaalsContact O-N 3.14Å; K898-S901 PolarHBondContact O-OG 3.04Å; K898-I902 VanDerWaalsContact O-CG1 3.27Å; K898-I902 WeakPolarHBondContact O-CG1 3.45Å; K898-I902 PolarHBondContact O-N 3.11Å |
| 899 | E | 70.8 | Confident | 61.8 | Low | 95 Ų | 95 | 102.2 Ų | 102.2 | 44% | 0.444 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58.1 | -49.4 | 176.2 | -73.1 | 165.8 | -175.9 | 0 | 0 | 110.8 | Q895 S901 I902 D903 | Q895-E899 WeakPolarHBondContact O-CB 3.2Å; Q895-E899 WeakPolarHBondContact O-CG 3.42Å; Q895-E899 PolarHBondContact O-N 2.95Å; E899-S901 VanDerWaalsContact C-N 3.3Å; E899-S901 PolarHBondContact O-N 3Å; E899-I902 PolarHBondContact O-N 3.22Å; E899-I902 VanDerWaalsContact O-N 3.09Å; E899-D903 VanDerWaalsContact O-CG 3.31Å; E899-D903 PolarHBondContact O-N 3.1Å |
| 900 | R | 71 | Confident | 61.1 | Low | 194 Ų | 194 | 100.7 Ų | 100.7 | 73% | 0.732 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.4 | -35.3 | 174 | -75.8 | 179.5 | -179.2 | -173.2 | 0.2 | 113.8 | K896 Q897 G904 | K896-R900 WeakPolarHBondContact O-CB 3.35Å; K896-R900 VanDerWaalsContact O-CG 3.31Å; K896-R900 WeakPolarHBondContact O-CG 3.43Å; K896-R900 PolarHBondContact O-N 3.07Å; Q897-R900 PolarHBondContact O-N 3.48Å; R900-G904 PolarHBondContact O-N 3.08Å |
| 901 | S | 67.6 | Low | 60.1 | Low | 63 Ų | 63 | 101.6 Ų | 101.6 | 44% | 0.441 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -70.5 | -35.5 | 175.8 | 70.9 | 0 | 0 | 0 | 0 | 111.9 | Q897 K898 E899 I905 | Q897-S901 WeakPolarHBondContact O-CB 3.35Å; Q897-S901 PolarHBondContact O-N 3.48Å; Q897-S901 PolarHBondContact O-OG 3.2Å; K898-S901 WeakPolarHBondContact CA-OG 3.42Å; K898-S901 PolarHBondContact O-N 3.35Å; K898-S901 VanDerWaalsContact O-N 3.14Å; K898-S901 PolarHBondContact O-OG 3.04Å; E899-S901 VanDerWaalsContact C-N 3.3Å; E899-S901 PolarHBondContact O-N 3Å; S901-I905 WeakPolarHBondContact O-CD1 3.46Å; S901-I905 WeakPolarHBondContact O-CG1 3.17Å; S901-I905 PolarHBondContact O-N 2.76Å |
| 902 | I | 64.7 | Low | 58.8 | Low | 111 Ų | 111 | 105 Ų | 105 | 57% | 0.569 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -70 | -43.4 | 174.9 | -67.1 | 164.1 | 0 | 0 | 0 | 109.8 | K898 E899 G904 I905 G906 | K898-I902 VanDerWaalsContact O-CG1 3.27Å; K898-I902 WeakPolarHBondContact O-CG1 3.45Å; K898-I902 PolarHBondContact O-N 3.11Å; E899-I902 PolarHBondContact O-N 3.22Å; E899-I902 VanDerWaalsContact O-N 3.09Å; I902-G904 VanDerWaalsContact C-N 3.33Å; I902-G904 PolarHBondContact O-N 3.46Å; I902-I905 PolarHBondContact O-N 3.16Å; I902-G906 PolarHBondContact O-N 2.96Å |
| 903 | D | 63.8 | Low | 57.5 | Low | 107 Ų | 107 | 113.2 Ų | 113.2 | 57% | 0.572 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65.5 | -36.9 | 175.4 | -66.8 | -22.3 | 0 | 0 | 0 | 111.7 | E899 G906 N907 | E899-D903 VanDerWaalsContact O-CG 3.31Å; E899-D903 PolarHBondContact O-N 3.1Å; D903-G906 PolarHBondContact O-N 3.22Å; D903-N907 PolarHBondContact O-N 2.65Å |
| 904 | G | 57.1 | Low | 56.2 | Low | 41 Ų | 41 | 115.3 Ų | 115.3 | 42% | 0.423 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.1 | -38.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | R900 I902 A908 | R900-G904 PolarHBondContact O-N 3.08Å; I902-G904 VanDerWaalsContact C-N 3.33Å; I902-G904 PolarHBondContact O-N 3.46Å; G904-A908 WeakPolarHBondContact O-CB 3.38Å; G904-A908 PolarHBondContact O-N 2.92Å |
| 905 | I | 54.5 | Low | 54.7 | Low | 98 Ų | 98 | 114.9 Ų | 114.9 | 50% | 0.503 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -70.6 | -37.4 | 172.2 | -66.7 | 162.4 | 0 | 0 | 0 | 110.5 | S901 I902 N907 A908 N909 | S901-I905 WeakPolarHBondContact O-CD1 3.46Å; S901-I905 WeakPolarHBondContact O-CG1 3.17Å; S901-I905 PolarHBondContact O-N 2.76Å; I902-I905 PolarHBondContact O-N 3.16Å; I905-N907 VanDerWaalsContact C-N 3.35Å; I905-N907 PolarHBondContact O-N 2.8Å; I905-A908 PolarHBondContact O-N 2.9Å; I905-N909 VanDerWaalsContact O-CB 3.26Å; I905-N909 WeakPolarHBondContact O-CB 3.22Å; I905-N909 VanDerWaalsContact O-CG 3.29Å; I905-N909 PolarHBondContact O-N 3.32Å |
| 906 | G | 52.4 | Low | 53.3 | Low | 46 Ų | 46 | 114.7 Ų | 114.7 | 47% | 0.474 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -61 | -40.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I902 D903 | I902-G906 PolarHBondContact O-N 2.96Å; D903-G906 PolarHBondContact O-N 3.22Å |
| 907 | N | 49.8 | Very low | 51.7 | Low | 126 Ų | 126 | 114.5 Ų | 114.5 | 67% | 0.674 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -76.1 | -37.7 | 175.1 | -85.7 | -8.5 | 0 | 0 | 0 | 113 | D903 I905 S910 | D903-N907 PolarHBondContact O-N 2.65Å; I905-N907 VanDerWaalsContact C-N 3.35Å; I905-N907 PolarHBondContact O-N 2.8Å; N907-S910 PolarHBondContact O-N 2.83Å; N907-S910 PolarHBondContact O-OG 3.13Å |
| 908 | A | 49.1 | Very low | 50 | Low | 58 Ų | 58 | 112.9 Ų | 112.9 | 48% | 0.479 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -66.8 | -37.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G904 I905 S910 T911 | G904-A908 WeakPolarHBondContact O-CB 3.38Å; G904-A908 PolarHBondContact O-N 2.92Å; I905-A908 PolarHBondContact O-N 2.9Å; A908-S910 PolarHBondContact O-N 2.9Å; A908-T911 PolarHBondContact O-N 3.33Å; A908-T911 PolarHBondContact O-OG1 3.09Å |
| 909 | N | 46.6 | Very low | 48.2 | Very low | 115 Ų | 115 | 114.4 Ų | 114.4 | 62% | 0.615 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -5.2 | 178.7 | -74.4 | -4.1 | 0 | 0 | 0 | 113.8 | I905 T911 | I905-N909 VanDerWaalsContact O-CB 3.26Å; I905-N909 WeakPolarHBondContact O-CB 3.22Å; I905-N909 VanDerWaalsContact O-CG 3.29Å; I905-N909 PolarHBondContact O-N 3.32Å; N909-T911 VanDerWaalsContact C-N 3.26Å; N909-T911 PolarHBondContact O-N 3.18Å |
| 910 | S | 46.3 | Very low | 46.4 | Very low | 94 Ų | 94 | 120.1 Ų | 120.1 | 66% | 0.657 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -5.9 | 173.9 | 69 | 0 | 0 | 0 | 0 | 113.9 | N907 A908 | N907-S910 PolarHBondContact O-N 2.83Å; N907-S910 PolarHBondContact O-OG 3.13Å; A908-S910 PolarHBondContact O-N 2.9Å |
| 911 | T | 41.9 | Very low | 44.6 | Very low | 120 Ų | 120 | 118.8 Ų | 118.8 | 74% | 0.736 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -118.3 | -2.6 | -178.3 | 28.3 | 0 | 0 | 0 | 0 | 117.2 | A908 N909 | A908-T911 PolarHBondContact O-N 3.33Å; A908-T911 PolarHBondContact O-OG1 3.09Å; N909-T911 VanDerWaalsContact C-N 3.26Å; N909-T911 PolarHBondContact O-N 3.18Å |
| 912 | E | 38.2 | Very low | 42.9 | Very low | 148 Ų | 148 | 119.1 Ų | 119.1 | 69% | 0.692 | 69% | 0.692 | S | S | * | * | trans | -105.7 | 94.2 | 177.6 | -88.5 | -177.6 | 163.6 | 0 | 0 | 112.8 | I914 | E912-I914 HydrophobicContact CB-CD1 4.4Å; E912-I914 HydrophobicContact CB-CG1 4.32Å; E912-I914 PolarHBondContact O-N 3.29Å; E912-I914 VanDerWaalsContact O-N 3.15Å | ||
| 913 | Y | 33.4 | Very low | 41.4 | Very low | 236 Ų | 236 | 123 Ų | 123 | 93% | 0.925 | 71% | 0.708 | S | S | * | * | trans | -57.1 | 103.3 | 160.3 | -132.9 | -95.9 | 0 | 0 | 0 | 108.6 | ||||
| 914 | I | 36.2 | Very low | 39.8 | Very low | 135 Ų | 135 | 127.3 Ų | 127.3 | 69% | 0.692 | 72% | 0.722 | S | S | * | * | trans | -120.5 | 125.5 | 173.1 | -58.8 | 180 | 0 | 0 | 0 | 110.2 | E912 | E912-I914 HydrophobicContact CB-CD1 4.4Å; E912-I914 HydrophobicContact CB-CG1 4.32Å; E912-I914 PolarHBondContact O-N 3.29Å; E912-I914 VanDerWaalsContact O-N 3.15Å | ||
| 915 | P | 35.4 | Very low | 38.6 | Very low | 112 Ų | 112 | 131.6 Ų | 131.6 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | trans | -83.9 | 163.1 | -166.5 | -2.9 | 23.3 | 0 | 0 | 0 | 113.9 | A917 | P915-A917 PolarHBondContact O-N 3.03Š| ||
| 916 | S | 32.8 | Very low | 37.5 | Very low | 116 Ų | 116 | 132.2 Ų | 132.2 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | trans | -48 | 118.5 | -176.9 | 52.5 | 0 | 0 | 0 | 0 | 115.1 | S918 | S916-S918 PolarHBondContact O-N 3.03Š| ||
| 917 | A | 35.7 | Very low | 36.6 | Very low | 109 Ų | 109 | 137.1 Ų | 137.1 | 90% | 0.901 | 81% | 0.814 | S | S | * | * | trans | -75.7 | 105.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | P915 | P915-A917 PolarHBondContact O-N 3.03Š| ||
| 918 | S | 32.7 | Very low | 35.9 | Very low | 101 Ų | 101 | 137.7 Ų | 137.7 | 71% | 0.706 | 82% | 0.821 | S | S | * | * | trans | -109.6 | 138.7 | 153.9 | 62.2 | 0 | 0 | 0 | 0 | 108.5 | S916 | S916-S918 PolarHBondContact O-N 3.03Š| ||
| 919 | Q | 31.7 | Very low | 35.2 | Very low | 177 Ų | 177 | 141.8 Ų | 141.8 | 83% | 0.827 | 84% | 0.839 | S | S | * | * | trans | 84.5 | 105 | 178.9 | -55.3 | -176.8 | -12.5 | 0 | 0 | 115.1 | ||||
| 920 | F | 34.2 | Very low | 34.6 | Very low | 216 Ų | 216 | 143.3 Ų | 143.3 | 95% | 0.947 | 85% | 0.851 | S | S | * | * | -156.4 | 99.4 | 122.1 | -107.6 | -75.3 | 0 | 0 | 0 | 109.1 | |||||
| 921 | N | 32.8 | Very low | 33.9 | Very low | 165 Ų | 165 | 146.2 Ų | 146.2 | 88% | 0.882 | 86% | 0.863 | S | S | * | * | trans | -81.1 | 130.2 | 165.1 | -107.6 | -17.2 | 0 | 0 | 0 | 108.6 | ||||
| 922 | G | 31.1 | Very low | 33.4 | Very low | 70 Ų | 70 | 147.9 Ų | 147.9 | 72% | 0.722 | 87% | 0.871 | S | S | * | * | trans | 32.2 | 116.3 | 153.6 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 923 | Q | 33 | Very low | 33.1 | Very low | 193 Ų | 193 | 147.9 Ų | 147.9 | 90% | 0.902 | 88% | 0.882 | S | S | * | * | -161.3 | 128.2 | 123.7 | -112.7 | 174.6 | 0.7 | 0 | 0 | 112.4 | |||||
| 924 | K | 29.9 | Very low | 33.1 | Very low | 198 Ų | 198 | 141.6 Ų | 141.6 | 86% | 0.861 | 88% | 0.879 | S | S | * | * | trans | -3.5 | 122.1 | 158.1 | -64.8 | 172.7 | 176.2 | 178.1 | 0 | 117.3 | ||||
| 925 | C | 32.6 | Very low | 32.8 | Very low | 130 Ų | 130 | 142.1 Ų | 142.1 | 88% | 0.878 | 89% | 0.894 | S | S | * | * | trans | -131.8 | 109.3 | 139.2 | -82.9 | 0 | 0 | 0 | 0 | 107.1 | G927 | C925-G927 PolarHBondContact O-N 2.95Š| ||
| 926 | A | 32 | Very low | 32.6 | Very low | 111 Ų | 111 | 144.6 Ų | 144.6 | 92% | 0.917 | 91% | 0.908 | S | S | * | * | trans | -65.5 | 117 | 162.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 927 | G | 33.2 | Very low | 32.6 | Very low | 149 Ų | 149 | 147.2 Ų | 147.2 | 100% | 1.536 | 92% | 0.916 | S | S | * | * | trans | -106 | 0 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | C925 | C925-G927 PolarHBondContact O-N 2.95Š|
Retrieved 927 of 927 residues in 415.2 ms
(Link to these results)