| 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 | 33.6 | Very low | 47.1 | Very low | 210 Ų | 210 | 94.7 Ų | 94.7 | 100% | 1.034 | 45% | 0.454 | S | S | * | . | 0 | 92.3 | 0 | -119.8 | -165.1 | -70.1 | 0 | 0 | 109.9 | |||||
| 2 | V | 32 | Very low | 49.3 | Very low | 94 Ų | 94 | 89.6 Ų | 89.6 | 57% | 0.57 | 43% | 0.434 | S | S | * | . | trans | -85.5 | 121.9 | 168.6 | 177 | 0 | 0 | 0 | 0 | 106.6 | V4 | V2-V4 HydrophobicContact CG1-CG2 4.14Å; V2-V4 PolarHBondContact O-N 3.1Å | ||
| 3 | K | 31.4 | Very low | 51.5 | Low | 141 Ų | 141 | 94.6 Ų | 94.6 | 61% | 0.613 | 45% | 0.453 | S | S | * | . | trans | -85 | 111.6 | 172.8 | -69.8 | -175.7 | -179.3 | 179.6 | 0 | 107.7 | W5 | K3-W5 HydrophobicContact CB-CZ2 4.02Å; K3-W5 HydrophobicContact CD-CH2 4.25Å; K3-W5 HydrophobicContact CD-CZ2 3.75Å | ||
| 4 | V | 40.3 | Very low | 53.8 | Low | 28 Ų | 28 | 94.1 Ų | 94.1 | 17% | 0.17 | 45% | 0.45 | C | S | . | . | trans | -95.7 | 131 | 171.1 | -176.1 | 0 | 0 | 0 | 0 | 107.2 | V2 Y226 F263 L265 | V2-V4 HydrophobicContact CG1-CG2 4.14Å; V2-V4 PolarHBondContact O-N 3.1Å; V4-Y226 HydrophobicContact CB-CD2 4.34Å; V4-Y226 HydrophobicContact CB-CE2 4.13Å; V4-Y226 HydrophobicContact CG1-CD2 3.65Å; V4-Y226 HydrophobicContact CG1-CE2 3.67Å; V4-Y226 HydrophobicContact CG2-CD2 3.71Å; V4-Y226 HydrophobicContact CG2-CE2 3.32Å; V4-F263 VanDerWaalsContact O-O 3.1Å; V4-L265 HydrophobicContact CB-CB 4.48Å; V4-L265 HydrophobicContact CB-CD1 3.93Å; V4-L265 HydrophobicContact CB-CG 4.47Å; V4-L265 HydrophobicContact CG1-CD1 4.02Å; V4-L265 HydrophobicContact CG2-CB 4.44Å; V4-L265 HydrophobicContact CG2-CD1 4.12Å | ||
| 5 | W | 45.6 | Very low | 55.7 | Low | 83 Ų | 83 | 87.8 Ų | 87.8 | 31% | 0.314 | 42% | 0.42 | S | S | . | . | trans | -111.5 | 125.5 | 177.4 | -48.1 | 89.7 | 0 | 0 | 0 | 106.8 | K3 K262 | K3-W5 HydrophobicContact CB-CZ2 4.02Å; K3-W5 HydrophobicContact CD-CH2 4.25Å; K3-W5 HydrophobicContact CD-CZ2 3.75Å; W5-K262 HydrophobicContact CE3-CG 4.14Å; W5-K262 HydrophobicContact CH2-CD 4.25Å; W5-K262 HydrophobicContact CZ3-CB 4.18Å; W5-K262 HydrophobicContact CZ3-CD 3.54Å; W5-K262 HydrophobicContact CZ3-CG 3.62Å | ||
| 6 | R | 46 | Very low | 57.5 | Low | 143 Ų | 143 | 86.7 Ų | 86.7 | 54% | 0.54 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -98 | 123.5 | 166.5 | -160.7 | 175.2 | -163 | 178.5 | 3 | 106.3 | E8 E68 | R6-E8 PolarHBondContact O-N 3.22Å; R6-E68 IonicContact CZ-OE1 2.8Å; R6-E68 IonicContact NE-OE1 3.82Å; R6-E68 IonicContact NH2-OE1 3.74Å; R6-E68 PolarHBondContact NH2-OE1 3.14Å |
| 7 | I | 51.8 | Low | 59.2 | Low | 35 Ų | 35 | 87 Ų | 87 | 18% | 0.179 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 118.8 | 167.4 | -61.7 | 174 | 0 | 0 | 0 | 104.9 | V9 L41 E71 V245 L260 | I7-V9 PolarHBondContact O-N 2.94Å; I7-L41 HydrophobicContact CD1-CD1 4.25Å; I7-E71 WeakPolarHBondContact CD1-O 3.25Å; I7-E71 HydrophobicContact CG2-CB 4.47Å; I7-V245 HydrophobicContact CD1-CG1 4.41Å; I7-L260 HydrophobicContact CG1-CD2 4.19Å |
| 8 | E | 50.2 | Low | 60.9 | Low | 89 Ų | 89 | 85.3 Ų | 85.3 | 42% | 0.416 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -63 | 124.1 | 166.8 | -80.3 | -165.1 | 160.9 | 0 | 0 | 107.5 | R6 E10 I261 | R6-E8 PolarHBondContact O-N 3.22Å; E8-E10 PolarHBondContact O-N 3.06Å; E8-I261 VanDerWaalsContact CD-CD1 3.47Å; E8-I261 HydrophobicContact CG-CB 4.14Å; E8-I261 HydrophobicContact CG-CG1 4.36Å; E8-I261 WeakPolarHBondContact OE1-CD1 3.44Å; E8-I261 WeakPolarHBondContact OE2-CD1 3.19Å; E8-I261 VanDerWaalsContact OE2-CG1 3.26Å; E8-I261 WeakPolarHBondContact OE2-CG1 3.47Å |
| 9 | V | 54.6 | Low | 62.5 | Low | 58 Ų | 58 | 81.9 Ų | 81.9 | 35% | 0.352 | 40% | 0.404 | S | S | . | . | trans | -58.9 | 109.6 | 176.3 | 179.7 | 0 | 0 | 0 | 0 | 106.9 | I7 Q67 E68 | I7-V9 PolarHBondContact O-N 2.94Å; V9-Q67 HydrophobicContact CG1-CB 4.02Å; V9-Q67 HydrophobicContact CG1-CG 3.53Å; V9-Q67 VanDerWaalsContact CG1-NE2 3.26Å; V9-E68 HydrophobicContact CG2-CB 4.19Å | ||
| 10 | E | 60.9 | Low | 64.1 | Low | 75 Ų | 75 | 80.5 Ų | 80.5 | 35% | 0.35 | 40% | 0.399 | S | S | . | . | trans | -52.1 | 167.2 | 175.5 | -75.3 | -177.5 | 161.6 | 0 | 0 | 111.3 | E8 P12 R18 Q67 | E8-E10 PolarHBondContact O-N 3.06Å; E10-P12 WeakPolarHBondContact O-CD 3.49Å; E10-P12 VanDerWaalsContact O-N 3.09Å; E10-R18 IonicContact OE2-CZ 3.79Å; E10-R18 IonicContact OE2-NH1 3.14Å; E10-R18 PolarHBondContact OE2-NH1 3.34Å; E10-R18 VanDerWaalsContact OE2-NH1 3.14Å; E10-R18 IonicContact OE2-NH2 2.76Å; E10-R18 PolarHBondContact OE2-NH2 3.37Å; E10-Q67 PolarHBondContact O-NE2 2.92Å | ||
| 11 | D | 71.6 | Confident | 65.6 | Low | 86 Ų | 86 | 80.3 Ų | 80.3 | 46% | 0.46 | 40% | 0.403 | S | S | . | . | trans | -45.6 | 118.7 | 176.3 | -178.2 | -3.5 | 0 | 0 | 0 | 111.4 | F13 E14 F15 | D11-F13 PolarHBondContact O-N 3.08Å; D11-F13 WeakPolarHBondContact OD1-CB 3.48Å; D11-F13 WeakPolarHBondContact OD1-CD2 3.36Å; D11-F13 PolarHBondContact OD1-N 2.95Å; D11-E14 HydrophobicContact CB-CB 4.35Å; D11-E14 WeakPolarHBondContact O-CA 3.22Å; D11-E14 WeakPolarHBondContact O-CB 3.35Å; D11-E14 PolarHBondContact O-N 3.05Å; D11-F15 PolarHBondContact O-N 3.19Å | ||
| 12 | P | 73.4 | Confident | 68.7 | Low | 33 Ų | 33 | 72.6 Ų | 72.6 | 21% | 0.214 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -57.5 | -24.2 | 179.3 | 20.9 | -32.8 | 0 | 0 | 0 | 112.9 | E10 E14 F15 L16 L63 F64 | E10-P12 WeakPolarHBondContact O-CD 3.49Å; E10-P12 VanDerWaalsContact O-N 3.09Å; P12-E14 VanDerWaalsContact C-N 3.34Å; P12-F15 PolarHBondContact O-N 3.39Å; P12-L16 WeakPolarHBondContact O-CB 3.3Å; P12-L16 VanDerWaalsContact O-CG 3.31Å; P12-L16 WeakPolarHBondContact O-CG 3.26Å; P12-L16 PolarHBondContact O-N 3.18Å; P12-L63 HydrophobicContact CB-CD2 4.3Å; P12-F64 HydrophobicContact CB-CE1 4.06Å; P12-F64 HydrophobicContact CG-CE1 3.75Å; P12-F64 HydrophobicContact CG-CZ 4.09Å |
| 13 | F | 78.7 | Confident | 71.8 | Confident | 155 Ų | 155 | 74.8 Ų | 74.8 | 68% | 0.68 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -65.8 | -37.4 | 171.9 | -67.6 | -69.1 | 0 | 0 | 0 | 112.2 | D11 S17 | D11-F13 PolarHBondContact O-N 3.08Å; D11-F13 WeakPolarHBondContact OD1-CB 3.48Å; D11-F13 WeakPolarHBondContact OD1-CD2 3.36Å; D11-F13 PolarHBondContact OD1-N 2.95Å; F13-S17 WeakPolarHBondContact O-CB 3.1Å; F13-S17 PolarHBondContact O-N 3.5Å |
| 14 | E | 82.4 | Confident | 74.9 | Confident | 87 Ų | 87 | 69.1 Ų | 69.1 | 41% | 0.407 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -68.1 | -44.5 | 175.9 | -161 | -175.2 | 154.5 | 0 | 0 | 110.7 | D11 P12 L16 S17 R18 | D11-E14 HydrophobicContact CB-CB 4.35Å; D11-E14 WeakPolarHBondContact O-CA 3.22Å; D11-E14 WeakPolarHBondContact O-CB 3.35Å; D11-E14 PolarHBondContact O-N 3.05Å; P12-E14 VanDerWaalsContact C-N 3.34Å; E14-L16 VanDerWaalsContact C-N 3.34Å; E14-L16 PolarHBondContact O-N 3.26Å; E14-S17 WeakPolarHBondContact O-CB 3.37Å; E14-S17 PolarHBondContact O-N 3.34Å; E14-S17 VanDerWaalsContact O-N 3.09Å; E14-S17 PolarHBondContact O-OG 3.39Å; E14-R18 PolarHBondContact O-N 3.01Å; E14-R18 IonicContact OE1-NH1 2.86Å; E14-R18 PolarHBondContact OE1-NH1 3.43Å |
| 15 | F | 82.8 | Confident | 77.7 | Confident | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -57.7 | -45.2 | 175 | -176.2 | -111.6 | 0 | 0 | 0 | 112.3 | D11 P12 S17 R18 S19 A37 L63 V66 Q67 A70 I77 | D11-F15 PolarHBondContact O-N 3.19Å; P12-F15 PolarHBondContact O-N 3.39Å; F15-S17 PolarHBondContact O-N 2.87Å; F15-R18 PolarHBondContact O-N 3.17Å; F15-S19 PolarHBondContact O-OG 3.02Å; F15-A37 HydrophobicContact CD1-CB 4.34Å; F15-A37 HydrophobicContact CE1-CB 3.5Å; F15-A37 VanDerWaalsContact CE1-CB 3.5Å; F15-A37 HydrophobicContact CE2-CB 3.84Å; F15-A37 HydrophobicContact CZ-CB 3.21Å; F15-L63 HydrophobicContact CD1-CD1 3.91Å; F15-L63 HydrophobicContact CE1-CD1 3.99Å; F15-V66 HydrophobicContact CE1-CG1 4.13Å; F15-V66 HydrophobicContact CZ-CG1 4.14Å; F15-Q67 HydrophobicContact CB-CG 4.03Å; F15-Q67 HydrophobicContact CD1-CB 3.8Å; F15-Q67 HydrophobicContact CD1-CG 3.82Å; F15-Q67 HydrophobicContact CD2-CB 4.32Å; F15-Q67 HydrophobicContact CD2-CG 3.64Å; F15-Q67 HydrophobicContact CE1-CB 3.71Å; F15-Q67 HydrophobicContact CE1-CG 4.1Å; F15-Q67 HydrophobicContact CE2-CB 4.24Å; F15-Q67 HydrophobicContact CE2-CG 3.93Å; F15-Q67 HydrophobicContact CG-CB 4.09Å; F15-Q67 HydrophobicContact CG-CG 3.57Å; F15-Q67 HydrophobicContact CZ-CB 3.92Å; F15-Q67 HydrophobicContact CZ-CG 4.13Å; F15-A70 HydrophobicContact CE2-CB 3.9Å; F15-A70 HydrophobicContact CZ-CB 4.03Å; F15-I77 HydrophobicContact CZ-CG2 4.28Å |
| 16 | L | 84.5 | Confident | 80.2 | Confident | 70 Ų | 70 | 71.1 Ų | 71.1 | 37% | 0.366 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.7 | -36.5 | 174.4 | -74.9 | 176.1 | 0 | 0 | 0 | 112.8 | P12 E14 R18 S19 L35 L63 | P12-L16 WeakPolarHBondContact O-CB 3.3Å; P12-L16 VanDerWaalsContact O-CG 3.31Å; P12-L16 WeakPolarHBondContact O-CG 3.26Å; P12-L16 PolarHBondContact O-N 3.18Å; E14-L16 VanDerWaalsContact C-N 3.34Å; E14-L16 PolarHBondContact O-N 3.26Å; L16-R18 PolarHBondContact O-N 2.83Å; L16-S19 VanDerWaalsContact O-CB 3.31Å; L16-S19 WeakPolarHBondContact O-CB 3.31Å; L16-S19 PolarHBondContact O-N 3.36Å; L16-L35 HydrophobicContact CD2-CD2 4.19Å; L16-L63 HydrophobicContact CD1-CD2 3.63Å; L16-L63 HydrophobicContact CD2-CD1 3.59Å; L16-L63 HydrophobicContact CD2-CD2 3.93Å; L16-L63 HydrophobicContact CD2-CG 4.43Å; L16-L63 HydrophobicContact CG-CD1 4.13Å; L16-L63 HydrophobicContact CG-CD2 3.78Å |
| 17 | S | 87.4 | Confident | 82.6 | Confident | 92 Ų | 92 | 69.3 Ų | 69.3 | 64% | 0.643 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -62.6 | -25.9 | 178.6 | 80.1 | 0 | 0 | 0 | 0 | 113.1 | F13 E14 F15 | F13-S17 WeakPolarHBondContact O-CB 3.1Å; F13-S17 PolarHBondContact O-N 3.5Å; E14-S17 WeakPolarHBondContact O-CB 3.37Å; E14-S17 PolarHBondContact O-N 3.34Å; E14-S17 VanDerWaalsContact O-N 3.09Å; E14-S17 PolarHBondContact O-OG 3.39Å; F15-S17 PolarHBondContact O-N 2.87Å |
| 18 | R | 88.4 | Confident | 84.8 | Confident | 57 Ų | 57 | 70.8 Ų | 70.8 | 22% | 0.215 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -3.4 | 176.1 | -58.8 | -175.9 | -62.2 | -116.4 | 7.4 | 113.1 | E10 E14 F15 L16 R38 E71 | E10-R18 IonicContact OE2-CZ 3.79Å; E10-R18 IonicContact OE2-NH1 3.14Å; E10-R18 PolarHBondContact OE2-NH1 3.34Å; E10-R18 VanDerWaalsContact OE2-NH1 3.14Å; E10-R18 IonicContact OE2-NH2 2.76Å; E10-R18 PolarHBondContact OE2-NH2 3.37Å; E14-R18 PolarHBondContact O-N 3.01Å; E14-R18 IonicContact OE1-NH1 2.86Å; E14-R18 PolarHBondContact OE1-NH1 3.43Å; F15-R18 PolarHBondContact O-N 3.17Å; L16-R18 PolarHBondContact O-N 2.83Å; R18-R38 HydrophobicContact CB-CB 4.44Å; R18-E71 IonicContact NH2-OE1 3.21Å; R18-E71 PolarHBondContact NH2-OE1 3.21Å |
| 19 | S | 91.2 | Very high | 87 | Confident | 21 Ų | 21 | 68 Ų | 68 | 15% | 0.147 | 36% | 0.363 | C | S | . | . | trans | -95.6 | 153 | -172.4 | -59.1 | 0 | 0 | 0 | 0 | 112.4 | F15 L16 H36 A37 | F15-S19 PolarHBondContact O-OG 3.02Å; L16-S19 VanDerWaalsContact O-CB 3.31Å; L16-S19 WeakPolarHBondContact O-CB 3.31Å; L16-S19 PolarHBondContact O-N 3.36Å; S19-H36 CarbonylContact C-O 3.51Å; S19-H36 VanDerWaalsContact CA-O 3.23Å; S19-H36 WeakPolarHBondContact CA-O 3.48Å; S19-A37 VanDerWaalsContact OG-CA 3.28Å; S19-A37 WeakPolarHBondContact OG-CA 3.22Å; S19-A37 WeakPolarHBondContact OG-CB 3.4Å | ||
| 20 | T | 95.3 | Very high | 89.1 | Confident | 52 Ų | 52 | 69.7 Ų | 69.7 | 32% | 0.319 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 130.1 | 174.7 | -54.8 | 0 | 0 | 0 | 0 | 110.1 | Y22 H36 | T20-Y22 HydrophobicContact CG2-CD2 4.24Å; T20-Y22 HydrophobicContact CG2-CE1 4.06Å; T20-Y22 HydrophobicContact CG2-CE2 3.59Å; T20-Y22 VanDerWaalsContact CG2-CZ 3.48Å; T20-H36 PolarHBondContact N-O 2.94Å; T20-H36 PolarHBondContact O-N 2.92Å |
| 21 | V | 95.9 | Very high | 90.8 | Very high | 78 Ų | 78 | 69.8 Ų | 69.8 | 47% | 0.473 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 132.4 | 176.1 | 179.4 | 0 | 0 | 0 | 0 | 110 | F23 V33 C34 L35 | V21-F23 HydrophobicContact CG1-CE2 4.03Å; V21-F23 HydrophobicContact CG1-CZ 4.46Å; V21-V33 HydrophobicContact CG1-CG1 3.76Å; V21-C34 CarbonylContact C-O 3.57Å; V21-C34 VanDerWaalsContact CA-O 3.31Å; V21-C34 WeakPolarHBondContact CA-O 3.34Å; V21-L35 HydrophobicContact CG2-CD1 3.69Å |
| 22 | Y | 97.8 | Very high | 92.1 | Very high | 47 Ų | 47 | 65.7 Ų | 65.7 | 18% | 0.184 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 141.3 | 177.3 | -59.2 | -92.2 | 0 | 0 | 0 | 110.7 | T20 V33 C34 H36 C107 E111 V112 | T20-Y22 HydrophobicContact CG2-CD2 4.24Å; T20-Y22 HydrophobicContact CG2-CE1 4.06Å; T20-Y22 HydrophobicContact CG2-CE2 3.59Å; T20-Y22 VanDerWaalsContact CG2-CZ 3.48Å; Y22-V33 WeakPolarHBondContact O-CA 3.12Å; Y22-C34 PolarHBondContact N-O 3.32Å; Y22-C34 PolarHBondContact O-N 3.12Å; Y22-H36 HydrophobicContact CD2-CB 4.33Å; Y22-H36 HydrophobicContact CE2-CB 3.75Å; Y22-C107 VanDerWaalsContact CG-SG 3.52Å; Y22-E111 HydrophobicContact CD1-CB 4.04Å; Y22-E111 HydrophobicContact CD1-CG 4.34Å; Y22-E111 HydrophobicContact CE1-CB 3.83Å; Y22-V112 HydrophobicContact CE2-CG2 4.38Å |
| 23 | F | 97 | Very high | 93.3 | Very high | 140 Ų | 140 | 64.5 Ų | 64.5 | 61% | 0.614 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 95.6 | 172 | -69.2 | -95.2 | 0 | 0 | 0 | 108.9 | V21 V33 | V21-F23 HydrophobicContact CG1-CE2 4.03Å; V21-F23 HydrophobicContact CG1-CZ 4.46Å; F23-V33 HydrophobicContact CD1-CG2 3.87Å; F23-V33 HydrophobicContact CE1-CG2 3.66Å; F23-V33 HydrophobicContact CZ-CG2 4.48Å |
| 24 | M | 98.1 | Very high | 94.2 | Very high | 22 Ų | 22 | 57.1 Ų | 57.1 | 11% | 0.108 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 137.9 | -176.8 | -61.1 | -54.9 | -61.8 | 0 | 0 | 111 | A26 H31 V32 A103 E106 C107 E111 | M24-A26 PolarHBondContact O-N 2.79Å; M24-H31 CarbonylContact O-C 3.5Å; M24-H31 WeakPolarHBondContact O-CA 3.35Å; M24-V32 HydrophobicContact CB-CB 4.47Å; M24-V32 PolarHBondContact N-O 3.46Å; M24-V32 PolarHBondContact O-N 3.44Å; M24-A103 HydrophobicContact CB-CB 4.01Å; M24-E106 HydrophobicContact CE-CB 4.44Å; M24-C107 HydrophobicContact CE-CB 4.04Å; M24-C107 HydrophobicContact CG-CB 3.75Å; M24-C107 HydrophobicContact SD-CB 3.76Å; M24-E111 HydrophobicContact CE-CG 4.15Å; M24-E111 HydrophobicContact SD-CG 3.96Å |
| 25 | K | 97.6 | Very high | 94.9 | Very high | 148 Ų | 148 | 53.6 Ų | 53.6 | 64% | 0.643 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 113.3 | 174.9 | -166.7 | 171.4 | -175.9 | 172.8 | 0 | 110.2 | G29 | K25-G29 WeakPolarHBondContact CE-O 3.37Å |
| 26 | A | 98.1 | Very high | 95.5 | Very high | 5 Ų | 5 | 53.9 Ų | 53.9 | 4% | 0.041 | 29% | 0.289 | C | S | . | . | trans | -68.2 | 165 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | M24 N28 G29 K30 V32 L83 R99 A103 | M24-A26 PolarHBondContact O-N 2.79Å; A26-N28 PolarHBondContact O-N 3Å; A26-G29 WeakPolarHBondContact O-CA 3.41Å; A26-G29 PolarHBondContact O-N 3.4Å; A26-K30 WeakPolarHBondContact CB-O 3.46Å; A26-K30 PolarHBondContact N-O 3.26Å; A26-V32 HydrophobicContact CB-CG2 3.92Å; A26-L83 HydrophobicContact CB-CD1 3.96Å; A26-R99 HydrophobicContact CB-CB 4.33Å; A26-A103 HydrophobicContact CB-CB 4.41Å | ||
| 27 | S | 97.5 | Very high | 96 | Very high | 106 Ų | 106 | 50.5 Ų | 50.5 | 74% | 0.741 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -17.6 | -175.8 | 78.1 | 0 | 0 | 0 | 0 | 114.8 | G29 R99 | S27-G29 VanDerWaalsContact C-N 3.32Å; S27-R99 WeakPolarHBondContact OG-CD 3.46Å |
| 28 | N | 96.8 | Very high | 96.3 | Very high | 65 Ų | 65 | 51.5 Ų | 51.5 | 35% | 0.348 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 7.2 | 173.5 | 65.4 | -1 | 0 | 0 | 0 | 112.9 | A26 K30 L83 N96 | A26-N28 PolarHBondContact O-N 3Å; N28-K30 VanDerWaalsContact C-N 3.33Å; N28-K30 PolarHBondContact O-N 3.03Å; N28-K30 WeakPolarHBondContact OD1-CB 3.2Å; N28-K30 PolarHBondContact OD1-N 3.27Å; N28-K30 VanDerWaalsContact OD1-N 3.15Å; N28-L83 WeakPolarHBondContact ND2-CD1 3.22Å; N28-N96 PolarHBondContact ND2-OD1 3.48Å |
| 29 | G | 97.2 | Very high | 96.4 | Very high | 31 Ų | 31 | 48.8 Ų | 48.8 | 32% | 0.32 | 25% | 0.251 | S | S | . | . | S | Bend | trans | 83.6 | -1.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | K25 A26 S27 | K25-G29 WeakPolarHBondContact CE-O 3.37Å; A26-G29 WeakPolarHBondContact O-CA 3.41Å; A26-G29 PolarHBondContact O-N 3.4Å; S27-G29 VanDerWaalsContact C-N 3.32Å |
| 30 | K | 97.8 | Very high | 96.1 | Very high | 94 Ų | 94 | 49.2 Ų | 49.2 | 41% | 0.409 | 25% | 0.254 | S | S | . | . | trans | -84.3 | 150.3 | 178.8 | -64.2 | -60.9 | -176.5 | -179.1 | 0 | 112.2 | A26 N28 L83 E89 | A26-K30 WeakPolarHBondContact CB-O 3.46Å; A26-K30 PolarHBondContact N-O 3.26Å; N28-K30 VanDerWaalsContact C-N 3.33Å; N28-K30 PolarHBondContact O-N 3.03Å; N28-K30 WeakPolarHBondContact OD1-CB 3.2Å; N28-K30 PolarHBondContact OD1-N 3.27Å; N28-K30 VanDerWaalsContact OD1-N 3.15Å; K30-L83 HydrophobicContact CB-CD1 4.33Å; K30-L83 HydrophobicContact CB-CD2 3.54Å; K30-E89 VanDerWaalsContact CA-OE2 3.29Å; K30-E89 WeakPolarHBondContact CA-OE2 3.49Å; K30-E89 HydrophobicContact CB-CB 4.1Å; K30-E89 HydrophobicContact CD-CB 4.07Å; K30-E89 VanDerWaalsContact CD-OE2 3.28Å; K30-E89 WeakPolarHBondContact CD-OE2 3.49Å | ||
| 31 | H | 98 | Very high | 95.6 | Very high | 76 Ų | 76 | 52 Ų | 52 | 35% | 0.352 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 136.2 | -179.7 | -62.1 | 94.1 | 0 | 0 | 0 | 112.2 | M24 L83 E89 | M24-H31 CarbonylContact O-C 3.5Å; M24-H31 WeakPolarHBondContact O-CA 3.35Å; H31-L83 WeakPolarHBondContact O-CD2 3.48Å; H31-E89 HydrophobicContact CB-CG 4.25Å; H31-E89 IonicContact CG-OE2 3.57Å; H31-E89 PolarHBondContact N-OE2 2.88Å; H31-E89 IonicContact ND1-OE1 3.97Å; H31-E89 IonicContact ND1-OE2 3.98Å; H31-E89 PolarHBondContact ND1-OE2 3.21Å; H31-E89 PolarHBondContact O-N 3.02Å |
| 32 | V | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 119.9 | 175.4 | 175.6 | 0 | 0 | 0 | 0 | 107.5 | M24 A26 Y80 D81 L83 S88 A103 | M24-V32 HydrophobicContact CB-CB 4.47Å; M24-V32 PolarHBondContact N-O 3.46Å; M24-V32 PolarHBondContact O-N 3.44Å; A26-V32 HydrophobicContact CB-CG2 3.92Å; V32-Y80 HydrophobicContact CG1-CD2 4.29Å; V32-D81 WeakPolarHBondContact CG1-O 3.42Å; V32-L83 HydrophobicContact CG2-CD2 3.6Å; V32-L83 HydrophobicContact CG2-CG 3.75Å; V32-S88 WeakPolarHBondContact CA-OG 3.39Å; V32-A103 HydrophobicContact CB-CB 4.13Å; V32-A103 HydrophobicContact CG1-CB 4.41Å; V32-A103 HydrophobicContact CG2-CB 4.09Å |
| 33 | V | 97.8 | Very high | 94.5 | Very high | 9 Ų | 9 | 54.7 Ų | 54.7 | 6% | 0.055 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 126.8 | 176.9 | -174.9 | 0 | 0 | 0 | 0 | 108.9 | V21 Y22 F23 L59 Y80 D81 C87 S88 | V21-V33 HydrophobicContact CG1-CG1 3.76Å; Y22-V33 WeakPolarHBondContact O-CA 3.12Å; F23-V33 HydrophobicContact CD1-CG2 3.87Å; F23-V33 HydrophobicContact CE1-CG2 3.66Å; F23-V33 HydrophobicContact CZ-CG2 4.48Å; V33-L59 HydrophobicContact CB-CD1 4.27Å; V33-L59 HydrophobicContact CG1-CD1 3.83Å; V33-Y80 CarbonylContact O-C 3.35Å; V33-Y80 VanDerWaalsContact O-CA 3.22Å; V33-Y80 WeakPolarHBondContact O-CA 3.3Å; V33-Y80 WeakPolarHBondContact O-CB 3.03Å; V33-D81 PolarHBondContact O-N 2.94Å; V33-C87 HydrophobicContact CB-CB 4.35Å; V33-C87 HydrophobicContact CG2-CB 3.75Å; V33-C87 WeakPolarHBondContact CG2-O 3.32Å; V33-S88 PolarHBondContact N-OG 3.2Å |
| 34 | C | 97.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 140.2 | 175.7 | -55.4 | 0 | 0 | 0 | 0 | 109.3 | V21 Y22 L78 C79 | V21-C34 CarbonylContact C-O 3.57Å; V21-C34 VanDerWaalsContact CA-O 3.31Å; V21-C34 WeakPolarHBondContact CA-O 3.34Å; Y22-C34 PolarHBondContact N-O 3.32Å; Y22-C34 PolarHBondContact O-N 3.12Å; C34-L78 HydrophobicContact CB-CD1 4.4Å; C34-L78 HydrophobicContact CB-CD2 4.07Å; C34-L78 HydrophobicContact CB-CG 4.37Å; C34-C79 CarbonylContact C-O 3.48Å; C34-C79 WeakPolarHBondContact CA-O 3.33Å |
| 35 | L | 96.9 | Very high | 94 | Very high | 13 Ų | 13 | 53.6 Ų | 53.6 | 7% | 0.068 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 116.8 | 172.1 | 177.8 | 72.3 | 0 | 0 | 0 | 108.1 | L16 V21 L59 L63 L78 C79 | L16-L35 HydrophobicContact CD2-CD2 4.19Å; V21-L35 HydrophobicContact CG2-CD1 3.69Å; L35-L59 HydrophobicContact CB-CD1 4.34Å; L35-L59 HydrophobicContact CB-CD2 4.11Å; L35-L63 HydrophobicContact CD2-CD1 4.16Å; L35-L78 VanDerWaalsContact O-CA 3.3Å; L35-L78 WeakPolarHBondContact O-CA 3.39Å; L35-C79 PolarHBondContact N-O 2.92Å; L35-C79 PolarHBondContact O-N 3.28Å |
| 36 | H | 96.9 | Very high | 93.9 | Very high | 5 Ų | 5 | 48.2 Ų | 48.2 | 2% | 0.023 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 104.5 | 171.8 | -178 | -150.6 | 0 | 0 | 0 | 109 | S19 T20 Y22 I77 L78 | S19-H36 CarbonylContact C-O 3.51Å; S19-H36 VanDerWaalsContact CA-O 3.23Å; S19-H36 WeakPolarHBondContact CA-O 3.48Å; T20-H36 PolarHBondContact N-O 2.94Å; T20-H36 PolarHBondContact O-N 2.92Å; Y22-H36 HydrophobicContact CD2-CB 4.33Å; Y22-H36 HydrophobicContact CE2-CB 3.75Å; H36-I77 CarbonylContact C-O 3.51Å; H36-I77 WeakPolarHBondContact CA-O 3.43Å; H36-L78 HydrophobicContact CB-CD1 4.15Å; H36-L78 HydrophobicContact CB-CG 4.47Å |
| 37 | A | 94.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 137.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | F15 S19 I77 | F15-A37 HydrophobicContact CD1-CB 4.34Å; F15-A37 HydrophobicContact CE1-CB 3.5Å; F15-A37 VanDerWaalsContact CE1-CB 3.5Å; F15-A37 HydrophobicContact CE2-CB 3.84Å; F15-A37 HydrophobicContact CZ-CB 3.21Å; S19-A37 VanDerWaalsContact OG-CA 3.28Å; S19-A37 WeakPolarHBondContact OG-CA 3.22Å; S19-A37 WeakPolarHBondContact OG-CB 3.4Å; A37-I77 HydrophobicContact CB-CG2 3.9Å; A37-I77 PolarHBondContact N-O 2.86Å; A37-I77 PolarHBondContact O-N 2.99Å |
| 38 | R | 92.9 | Very high | 93.9 | Very high | 112 Ų | 112 | 45.4 Ų | 45.4 | 42% | 0.423 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -102.1 | 133.2 | -176.8 | -67.7 | -172.1 | -175.9 | 173.9 | 3.4 | 111 | R18 D76 | R18-R38 HydrophobicContact CB-CB 4.44Å; R38-D76 VanDerWaalsContact CA-OD1 3.28Å; R38-D76 WeakPolarHBondContact CA-OD1 3.2Å |
| 39 | N | 90.7 | Very high | 94 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -67 | 150.4 | 173.5 | 78.5 | 96 | 0 | 0 | 0 | 111.6 | L41 R42 Q43 N74 D76 | N39-L41 PolarHBondContact OD1-N 3.4Å; N39-R42 PolarHBondContact ND2-O 3.34Å; N39-R42 WeakPolarHBondContact OD1-CA 3.24Å; N39-R42 PolarHBondContact OD1-N 3.23Å; N39-R42 PolarHBondContact OD1-O 3.07Å; N39-Q43 PolarHBondContact ND2-NE2 3.47Å; N39-Q43 PolarHBondContact O-NE2 3.37Å; N39-N74 VanDerWaalsContact CG-C 3.46Å; N39-D76 PolarHBondContact N-OD1 3.11Å; N39-D76 PolarHBondContact ND2-OD1 3.06Å |
| 40 | S | 86.2 | Confident | 94.1 | Very high | 30 Ų | 30 | 40.9 Ų | 40.9 | 21% | 0.21 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -77.4 | -32.9 | -174.7 | 65.9 | 0 | 0 | 0 | 0 | 114.1 | E71 | S40-E71 VanDerWaalsContact CB-OE2 3.3Å; S40-E71 WeakPolarHBondContact CB-OE2 3.22Å; S40-E71 PolarHBondContact N-OE1 2.95Å; S40-E71 VanDerWaalsContact N-OE1 3.13Å; S40-E71 PolarHBondContact N-OE2 3.29Å; S40-E71 PolarHBondContact OG-OE2 3Å |
| 41 | L | 84.8 | Confident | 94.1 | Very high | 110 Ų | 110 | 36.4 Ų | 36.4 | 58% | 0.576 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -96.2 | -31 | -164.1 | -61.8 | -176.3 | 0 | 0 | 0 | 114.8 | I7 N39 N74 | I7-L41 HydrophobicContact CD1-CD1 4.25Å; N39-L41 PolarHBondContact OD1-N 3.4Å; L41-N74 WeakPolarHBondContact CB-OD1 3.4Å; L41-N74 WeakPolarHBondContact CD1-OD1 3.49Å |
| 42 | R | 82.8 | Confident | 94.1 | Very high | 92 Ų | 92 | 32.9 Ų | 32.9 | 35% | 0.347 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -129.6 | 93.3 | -171.9 | -169.4 | 177.6 | -177.2 | 175.1 | 0.9 | 112.1 | N39 P44 S45 N74 | N39-R42 PolarHBondContact ND2-O 3.34Å; N39-R42 WeakPolarHBondContact OD1-CA 3.24Å; N39-R42 PolarHBondContact OD1-N 3.23Å; N39-R42 PolarHBondContact OD1-O 3.07Å; R42-P44 CarbonylContact O-C 3.58Å; R42-S45 WeakPolarHBondContact O-CA 3.43Å; R42-S45 PolarHBondContact O-N 2.84Å; R42-N74 HydrophobicContact CB-CB 3.91Å |
| 43 | Q | 87.3 | Confident | 94 | Very high | 90 Ų | 90 | 32.9 Ų | 32.9 | 42% | 0.421 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -120.3 | 135.4 | 175.2 | -67.3 | -61.2 | -31.6 | 0 | 0 | 111.7 | N39 D76 | N39-Q43 PolarHBondContact ND2-NE2 3.47Å; N39-Q43 PolarHBondContact O-NE2 3.37Å; Q43-D76 PolarHBondContact NE2-OD1 2.82Å |
| 44 | P | 90.1 | Very high | 93.8 | Very high | 117 Ų | 117 | 32.8 Ų | 32.8 | 76% | 0.76 | 17% | 0.167 | S | C | * | . | S | Bend | cis | -67 | 146.6 | -8.4 | 30.7 | -35.2 | 0 | 0 | 0 | 111.3 | R42 | R42-P44 CarbonylContact O-C 3.58Š|
| 45 | S | 94.3 | Very high | 93.5 | Very high | 21 Ų | 21 | 37.9 Ų | 37.9 | 15% | 0.147 | 20% | 0.195 | C | C | . | . | trans | -68.3 | 134.9 | 177.6 | -164 | 0 | 0 | 0 | 0 | 111.3 | R42 Y47 L75 D76 | R42-S45 WeakPolarHBondContact O-CA 3.43Å; R42-S45 PolarHBondContact O-N 2.84Å; S45-Y47 VanDerWaalsContact C-N 3.3Å; S45-Y47 PolarHBondContact O-N 3.28Å; S45-Y47 PolarHBondContact OG-O 3.15Å; S45-L75 WeakPolarHBondContact OG-CA 3.29Å; S45-D76 WeakPolarHBondContact CB-OD2 3.33Å; S45-D76 PolarHBondContact OG-N 3.5Å | ||
| 46 | P | 94.9 | Very high | 93.1 | Very high | 35 Ų | 35 | 41.5 Ų | 41.5 | 23% | 0.227 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -70.1 | -27.4 | 179.7 | 28.9 | -36.8 | 0 | 0 | 0 | 113.2 | L75 L242 | P46-L75 HydrophobicContact CG-CD2 3.9Å; P46-L242 HydrophobicContact CB-CD2 4.34Å; P46-L242 HydrophobicContact CG-CD2 3.66Å |
| 47 | Y | 97.8 | Very high | 92.8 | Very high | 48 Ų | 48 | 41.9 Ų | 41.9 | 19% | 0.188 | 23% | 0.229 | C | C | . | . | trans | -142.1 | 154.4 | 179.2 | -62.6 | -91.2 | 0 | 0 | 0 | 109.8 | S45 K118 I120 A141 M240 L242 | S45-Y47 VanDerWaalsContact C-N 3.3Å; S45-Y47 PolarHBondContact O-N 3.28Å; S45-Y47 PolarHBondContact OG-O 3.15Å; Y47-K118 CarbonylContact C-O 3.54Å; Y47-K118 VanDerWaalsContact CA-O 3.22Å; Y47-K118 WeakPolarHBondContact CA-O 3.34Å; Y47-K118 WeakPolarHBondContact CB-O 3.05Å; Y47-K118 HydrophobicContact CD1-CB 4.47Å; Y47-I120 HydrophobicContact CD1-CD1 4.43Å; Y47-I120 HydrophobicContact CD1-CG1 4.45Å; Y47-I120 HydrophobicContact CG-CD1 4.13Å; Y47-A141 HydrophobicContact CD1-CB 3.81Å; Y47-A141 HydrophobicContact CE1-CB 3.73Å; Y47-M240 HydrophobicContact CD2-CB 4.4Å; Y47-M240 HydrophobicContact CE1-CB 4.24Å; Y47-M240 HydrophobicContact CE1-CG 4.07Å; Y47-M240 HydrophobicContact CE2-CB 3.69Å; Y47-M240 HydrophobicContact CE2-CG 4.33Å; Y47-M240 PolarHBondContact OH-O 3.07Å; Y47-L242 HydrophobicContact CD2-CD1 3.75Å; Y47-L242 HydrophobicContact CD2-CD2 3.98Å; Y47-L242 HydrophobicContact CD2-CG 4.07Å; Y47-L242 HydrophobicContact CE2-CD1 4.15Å; Y47-L242 HydrophobicContact CE2-CD2 4.02Å; Y47-L242 HydrophobicContact CE2-CG 4.03Å | ||
| 48 | T | 98.3 | Very high | 92.7 | Very high | 4 Ų | 4 | 44.9 Ų | 44.9 | 3% | 0.025 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 130.7 | 172.7 | -57.2 | 0 | 0 | 0 | 0 | 109.7 | D76 L78 L108 L114 K118 I119 I120 | T48-D76 CarbonylContact C-O 3.55Å; T48-D76 VanDerWaalsContact CA-O 3.29Å; T48-D76 WeakPolarHBondContact CA-O 3.4Å; T48-D76 HydrophobicContact CG2-CB 4.15Å; T48-L78 HydrophobicContact CG2-CB 4.5Å; T48-L108 HydrophobicContact CG2-CD2 3.78Å; T48-L114 VanDerWaalsContact CB-CD1 3.48Å; T48-L114 HydrophobicContact CG2-CD1 4.2Å; T48-L114 WeakPolarHBondContact OG1-CD1 3.3Å; T48-K118 PolarHBondContact N-O 2.77Å; T48-I119 WeakPolarHBondContact O-CA 3.5Å; T48-I120 PolarHBondContact O-N 3.04Å |
| 49 | I | 98.7 | Very high | 92.7 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 125.5 | 174.7 | -61.3 | 169.7 | 0 | 0 | 0 | 108.4 | I69 L73 L75 D76 I77 L78 I120 W122 | I49-I69 HydrophobicContact CD1-CG2 3.62Å; I49-L73 HydrophobicContact CD1-CD1 3.95Å; I49-L75 HydrophobicContact CD1-CB 4.15Å; I49-L75 HydrophobicContact CD1-CD1 4.04Å; I49-L75 HydrophobicContact CG1-CB 4.38Å; I49-L75 HydrophobicContact CG1-CD1 4.14Å; I49-D76 PolarHBondContact N-O 3.16Å; I49-I77 HydrophobicContact CB-CB 4.36Å; I49-I77 HydrophobicContact CB-CD1 4.32Å; I49-I77 HydrophobicContact CB-CG1 4.06Å; I49-I77 HydrophobicContact CG2-CD1 4.13Å; I49-I77 HydrophobicContact CG2-CG1 4.19Å; I49-I77 CarbonylContact O-C 3.52Å; I49-I77 WeakPolarHBondContact O-CA 3.47Å; I49-L78 PolarHBondContact O-N 2.92Å; I49-I120 CarbonylContact C-O 3.57Å; I49-I120 VanDerWaalsContact CA-O 3.3Å; I49-I120 WeakPolarHBondContact CA-O 3.35Å; I49-I120 HydrophobicContact CG1-CB 4.31Å; I49-W122 HydrophobicContact CD1-CE3 4.21Å; I49-W122 HydrophobicContact CD1-CZ3 4.41Å; I49-W122 HydrophobicContact CG2-CB 3.69Å; I49-W122 HydrophobicContact CG2-CE3 4.31Å |
| 50 | L | 98.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 103.9 | 163.6 | -179.8 | 51 | 0 | 0 | 0 | 108.2 | L78 Y80 A104 M105 L108 I119 I120 L121 W122 L134 | L50-L78 CarbonylContact C-O 3.54Å; L50-L78 WeakPolarHBondContact CA-O 3.39Å; L50-L78 HydrophobicContact CD1-CB 4.43Å; L50-L78 HydrophobicContact CD1-CD2 3.45Å; L50-L78 VanDerWaalsContact CD1-CD2 3.45Å; L50-L78 WeakPolarHBondContact CD1-O 3.28Å; L50-Y80 HydrophobicContact CD1-CD1 3.8Å; L50-Y80 HydrophobicContact CD1-CE1 3.7Å; L50-Y80 HydrophobicContact CG-CE1 4.31Å; L50-A104 HydrophobicContact CD1-CB 3.85Å; L50-M105 HydrophobicContact CD2-CB 4.28Å; L50-M105 HydrophobicContact CD2-SD 4.18Å; L50-L108 HydrophobicContact CB-CD1 3.83Å; L50-L108 HydrophobicContact CD1-CD1 4.27Å; L50-L108 HydrophobicContact CD2-CD1 4.12Å; L50-L108 HydrophobicContact CG-CD1 4.3Å; L50-I119 HydrophobicContact CB-CG2 4.21Å; L50-I120 PolarHBondContact N-O 3.3Å; L50-L121 HydrophobicContact CB-CD2 3.88Å; L50-L121 HydrophobicContact CD2-CD2 3.83Å; L50-L121 HydrophobicContact CG-CD2 4.23Å; L50-W122 PolarHBondContact O-N 2.79Å; L50-L134 HydrophobicContact CD2-CD1 3.49Å; L50-L134 VanDerWaalsContact CD2-CD1 3.49Å; L50-L134 HydrophobicContact CG-CD1 4.48Å |
| 51 | Y | 98.6 | Very high | 93 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 125.8 | -174.5 | -171.8 | -105.9 | 0 | 0 | 0 | 111.8 | Q53 I62 E65 V66 I69 I77 L78 C79 Y80 W122 | Y51-Q53 HydrophobicContact CE1-CB 4.12Å; Y51-I62 HydrophobicContact CD1-CD1 4.21Å; Y51-I62 HydrophobicContact CE1-CD1 4.29Å; Y51-E65 PolarHBondContact OH-OE1 3.44Å; Y51-E65 PolarHBondContact OH-OE2 3.03Å; Y51-V66 HydrophobicContact CD1-CG2 3.91Å; Y51-V66 HydrophobicContact CE1-CG2 4.29Å; Y51-I69 HydrophobicContact CD2-CD1 4.11Å; Y51-I69 HydrophobicContact CE2-CD1 3.78Å; Y51-I77 HydrophobicContact CG-CD1 4.16Å; Y51-L78 PolarHBondContact N-O 2.89Å; Y51-C79 HydrophobicContact CD1-CB 4.4Å; Y51-Y80 WeakPolarHBondContact O-CE1 3.39Å; Y51-W122 CarbonylContact C-O 3.48Å; Y51-W122 WeakPolarHBondContact CA-O 3.38Å; Y51-W122 HydrophobicContact CD2-CB 4.01Å; Y51-W122 AromaticContact CD2-CD1 3.82Å; Y51-W122 AromaticContact CD2-CG 3.89Å; Y51-W122 HydrophobicContact CD2-CG 3.89Å; Y51-W122 AromaticContact CE2-CD1 3.6Å; Y51-W122 HydrophobicContact CE2-CG 4.12Å; Y51-W122 AromaticContact CE2-NE1 3.95Å |
| 52 | S | 98.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.007 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 110.5 | 175.7 | -55 | 0 | 0 | 0 | 0 | 109.4 | Y80 Y82 W122 G123 M124 G127 T131 | S52-Y80 PolarHBondContact OG-OH 2.91Å; S52-Y82 WeakPolarHBondContact CA-OH 3.5Å; S52-Y82 WeakPolarHBondContact CB-OH 3.34Å; S52-W122 PolarHBondContact N-O 2.96Å; S52-G123 WeakPolarHBondContact O-CA 3.36Å; S52-M124 PolarHBondContact O-N 2.83Å; S52-G127 WeakPolarHBondContact CB-O 3.37Å; S52-G127 WeakPolarHBondContact O-CA 3.42Å; S52-T131 PolarHBondContact OG-OG1 2.9Å |
| 53 | Q | 95.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -73.1 | 165.1 | -174.7 | 67.6 | -83.8 | 22.6 | 0 | 0 | 115.8 | Y51 S57 I62 Y80 Y82 G127 | Y51-Q53 HydrophobicContact CE1-CB 4.12Å; Q53-S57 WeakPolarHBondContact CG-OG 3.33Å; Q53-I62 HydrophobicContact CB-CD1 3.81Å; Q53-I62 HydrophobicContact CB-CG2 3.76Å; Q53-I62 HydrophobicContact CG-CD1 4.13Å; Q53-I62 HydrophobicContact CG-CG2 4.28Å; Q53-Y80 PolarHBondContact NE2-O 3.05Å; Q53-Y80 PolarHBondContact OE1-O 2.94Å; Q53-Y82 HydrophobicContact CG-CE2 4.36Å; Q53-Y82 PolarHBondContact N-OH 2.8Å; Q53-Y82 PolarHBondContact O-OH 2.97Å; Q53-G127 VanDerWaalsContact O-CA 3.28Å; Q53-G127 WeakPolarHBondContact O-CA 3.28Å; Q53-G127 PolarHBondContact O-N 2.84Å; Q53-G127 VanDerWaalsContact O-N 3.15Å | ||
| 54 | G | 93.9 | Very high | 93.8 | Very high | 7 Ų | 7 | 44.9 Ų | 44.9 | 7% | 0.072 | 25% | 0.254 | C | S | . | . | trans | -65.8 | 177.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | S57 | G54-S57 PolarHBondContact O-OG 3.01Š| ||
| 55 | N | 91.9 | Very high | 93.9 | Very high | 108 Ų | 108 | 41 Ų | 41 | 58% | 0.578 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | 155.2 | 176 | -173.9 | 34.2 | 0 | 0 | 0 | 111.2 | S57 Y85 L126 | N55-S57 PolarHBondContact O-N 2.82Å; N55-Y85 PolarHBondContact OD1-OH 2.94Å; N55-L126 HydrophobicContact CB-CB 4.04Å; N55-L126 HydrophobicContact CB-CD2 3.89Å |
| 56 | A | 87.7 | Confident | 93.9 | Very high | 88 Ų | 88 | 40 Ų | 40 | 73% | 0.727 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 36 | 173 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 57 | S | 90.1 | Very high | 93.7 | Very high | 13 Ų | 13 | 38.3 Ų | 38.3 | 9% | 0.091 | 21% | 0.208 | C | C | . | . | trans | -129.1 | 165.7 | 176.4 | 63.2 | 0 | 0 | 0 | 0 | 110.5 | Q53 G54 N55 Y85 | Q53-S57 WeakPolarHBondContact CG-OG 3.33Å; G54-S57 PolarHBondContact O-OG 3.01Å; N55-S57 PolarHBondContact O-N 2.82Å; S57-Y85 WeakPolarHBondContact O-CD1 3.47Å | ||
| 58 | D | 93.3 | Very high | 93.4 | Very high | 63 Ų | 63 | 36.9 Ų | 36.9 | 34% | 0.337 | 20% | 0.203 | S | C | . | . | trans | -139.3 | 176.4 | 172 | 59.1 | 46.1 | 0 | 0 | 0 | 110 | G60 W61 I62 D81 | D58-G60 PolarHBondContact O-N 3.43Å; D58-G60 WeakPolarHBondContact OD1-CA 3.3Å; D58-G60 PolarHBondContact OD1-N 3.37Å; D58-W61 WeakPolarHBondContact O-CB 3.49Å; D58-W61 PolarHBondContact O-N 2.8Å; D58-W61 VanDerWaalsContact O-N 3.07Å; D58-W61 PolarHBondContact OD1-N 2.94Å; D58-I62 WeakPolarHBondContact O-CG1 3.47Å; D58-I62 PolarHBondContact O-N 3.06Å; D58-I62 VanDerWaalsContact O-N 3.14Å; D58-D81 VanDerWaalsContact CA-OD1 3.25Å; D58-D81 WeakPolarHBondContact CA-OD1 3.35Å; D58-D81 WeakPolarHBondContact CB-OD1 3.36Å | ||
| 59 | L | 93 | Very high | 93.2 | Very high | 21 Ų | 21 | 36.9 Ų | 36.9 | 11% | 0.11 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -35.1 | 178.1 | -75.9 | 176.2 | 0 | 0 | 0 | 113.8 | V33 L35 I62 C79 D81 | V33-L59 HydrophobicContact CB-CD1 4.27Å; V33-L59 HydrophobicContact CG1-CD1 3.83Å; L35-L59 HydrophobicContact CB-CD1 4.34Å; L35-L59 HydrophobicContact CB-CD2 4.11Å; L59-I62 HydrophobicContact CD2-CD1 4.38Å; L59-C79 HydrophobicContact CD2-CB 3.92Å; L59-C79 WeakPolarHBondContact CD2-SG 3.41Å; L59-D81 HydrophobicContact CD1-CB 4.43Å; L59-D81 HydrophobicContact CG-CB 4.41Å; L59-D81 WeakPolarHBondContact CG-OD1 3.33Å; L59-D81 PolarHBondContact N-OD1 3.19Å |
| 60 | G | 90.9 | Very high | 92.9 | Very high | 56 Ų | 56 | 36.8 Ų | 36.8 | 58% | 0.577 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -39.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D58 | D58-G60 PolarHBondContact O-N 3.43Å; D58-G60 WeakPolarHBondContact OD1-CA 3.3Å; D58-G60 PolarHBondContact OD1-N 3.37Å |
| 61 | W | 91.1 | Very high | 92.5 | Very high | 200 Ų | 200 | 36.9 Ų | 36.9 | 76% | 0.758 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -39.8 | 179.6 | -168.3 | -95.4 | 0 | 0 | 0 | 113.2 | D58 | D58-W61 WeakPolarHBondContact O-CB 3.49Å; D58-W61 PolarHBondContact O-N 2.8Å; D58-W61 VanDerWaalsContact O-N 3.07Å; D58-W61 PolarHBondContact OD1-N 2.94Å |
| 62 | I | 92.4 | Very high | 92.1 | Very high | 6 Ų | 6 | 38 Ų | 38 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 1.1 | -173.9 | 68.3 | 178.4 | 0 | 0 | 0 | 114.1 | Y51 Q53 D58 L59 F64 E65 V66 C79 | Y51-I62 HydrophobicContact CD1-CD1 4.21Å; Y51-I62 HydrophobicContact CE1-CD1 4.29Å; Q53-I62 HydrophobicContact CB-CD1 3.81Å; Q53-I62 HydrophobicContact CB-CG2 3.76Å; Q53-I62 HydrophobicContact CG-CD1 4.13Å; Q53-I62 HydrophobicContact CG-CG2 4.28Å; D58-I62 WeakPolarHBondContact O-CG1 3.47Å; D58-I62 PolarHBondContact O-N 3.06Å; D58-I62 VanDerWaalsContact O-N 3.14Å; L59-I62 HydrophobicContact CD2-CD1 4.38Å; I62-F64 VanDerWaalsContact C-N 3.3Å; I62-F64 PolarHBondContact O-N 3.23Å; I62-E65 PolarHBondContact O-N 3.17Å; I62-E65 VanDerWaalsContact O-N 3.09Å; I62-V66 HydrophobicContact CB-CG2 4.27Å; I62-V66 HydrophobicContact CD1-CG2 3.88Å; I62-V66 HydrophobicContact CG1-CG2 3.83Å; I62-V66 WeakPolarHBondContact O-CB 3.27Å; I62-V66 WeakPolarHBondContact O-CG2 3.49Å; I62-V66 PolarHBondContact O-N 3.07Å; I62-C79 HydrophobicContact CD1-CB 3.94Å |
| 63 | L | 90.7 | Very high | 91.8 | Very high | 23 Ų | 23 | 38.7 Ų | 38.7 | 12% | 0.12 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -56.7 | -43.4 | -169.9 | -177.3 | 63.2 | 0 | 0 | 0 | 112.7 | P12 F15 L16 L35 V66 Q67 | P12-L63 HydrophobicContact CB-CD2 4.3Å; F15-L63 HydrophobicContact CD1-CD1 3.91Å; F15-L63 HydrophobicContact CE1-CD1 3.99Å; L16-L63 HydrophobicContact CD1-CD2 3.63Å; L16-L63 HydrophobicContact CD2-CD1 3.59Å; L16-L63 HydrophobicContact CD2-CD2 3.93Å; L16-L63 HydrophobicContact CD2-CG 4.43Å; L16-L63 HydrophobicContact CG-CD1 4.13Å; L16-L63 HydrophobicContact CG-CD2 3.78Å; L35-L63 HydrophobicContact CD2-CD1 4.16Å; L63-V66 PolarHBondContact O-N 2.91Å; L63-Q67 WeakPolarHBondContact O-CB 3.34Å; L63-Q67 PolarHBondContact O-N 2.59Å |
| 64 | F | 90.2 | Very high | 91.7 | Very high | 130 Ų | 130 | 38.8 Ų | 38.8 | 57% | 0.57 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -66.3 | -39.2 | 178.2 | -69 | -71 | 0 | 0 | 0 | 112.8 | P12 I62 Q67 E68 | P12-F64 HydrophobicContact CB-CE1 4.06Å; P12-F64 HydrophobicContact CG-CE1 3.75Å; P12-F64 HydrophobicContact CG-CZ 4.09Å; I62-F64 VanDerWaalsContact C-N 3.3Å; I62-F64 PolarHBondContact O-N 3.23Å; F64-Q67 PolarHBondContact O-N 2.94Å; F64-E68 WeakPolarHBondContact O-CB 3.26Å; F64-E68 PolarHBondContact O-N 3.13Å |
| 65 | E | 91.4 | Very high | 91.7 | Very high | 35 Ų | 35 | 38.5 Ų | 38.5 | 16% | 0.164 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.7 | -46 | 176.5 | -178.4 | -179.6 | -149.1 | 0 | 0 | 110.7 | Y51 I62 Q67 E68 I69 | Y51-E65 PolarHBondContact OH-OE1 3.44Å; Y51-E65 PolarHBondContact OH-OE2 3.03Å; I62-E65 PolarHBondContact O-N 3.17Å; I62-E65 VanDerWaalsContact O-N 3.09Å; E65-Q67 VanDerWaalsContact C-N 3.29Å; E65-Q67 PolarHBondContact O-N 3.04Å; E65-E68 PolarHBondContact O-N 3.43Å; E65-I69 HydrophobicContact CG-CD1 3.99Å; E65-I69 VanDerWaalsContact O-CG1 3.28Å; E65-I69 WeakPolarHBondContact O-CG1 3.5Å; E65-I69 PolarHBondContact O-N 3.04Å |
| 66 | V | 93.2 | Very high | 92 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.1 | -41.3 | 177.2 | 168.5 | 0 | 0 | 0 | 0 | 110.9 | F15 Y51 I62 L63 A70 I77 C79 | F15-V66 HydrophobicContact CE1-CG1 4.13Å; F15-V66 HydrophobicContact CZ-CG1 4.14Å; Y51-V66 HydrophobicContact CD1-CG2 3.91Å; Y51-V66 HydrophobicContact CE1-CG2 4.29Å; I62-V66 HydrophobicContact CB-CG2 4.27Å; I62-V66 HydrophobicContact CD1-CG2 3.88Å; I62-V66 HydrophobicContact CG1-CG2 3.83Å; I62-V66 WeakPolarHBondContact O-CB 3.27Å; I62-V66 WeakPolarHBondContact O-CG2 3.49Å; I62-V66 PolarHBondContact O-N 3.07Å; L63-V66 PolarHBondContact O-N 2.91Å; V66-A70 WeakPolarHBondContact O-CB 3.33Å; V66-A70 PolarHBondContact O-N 3.43Å; V66-I77 HydrophobicContact CB-CD1 4.37Å; V66-I77 HydrophobicContact CG1-CB 4.33Å; V66-I77 HydrophobicContact CG1-CD1 3.92Å; V66-I77 HydrophobicContact CG1-CG1 4.07Å; V66-I77 HydrophobicContact CG1-CG2 3.33Å; V66-I77 HydrophobicContact CG2-CD1 4.39Å; V66-C79 HydrophobicContact CG2-CB 4.1Å |
| 67 | Q | 92.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.3 | -45.9 | 175.9 | -169 | -179.9 | -4.2 | 0 | 0 | 112.1 | V9 E10 F15 L63 F64 E65 I69 A70 E71 | V9-Q67 HydrophobicContact CG1-CB 4.02Å; V9-Q67 HydrophobicContact CG1-CG 3.53Å; V9-Q67 VanDerWaalsContact CG1-NE2 3.26Å; E10-Q67 PolarHBondContact O-NE2 2.92Å; F15-Q67 HydrophobicContact CB-CG 4.03Å; F15-Q67 HydrophobicContact CD1-CB 3.8Å; F15-Q67 HydrophobicContact CD1-CG 3.82Å; F15-Q67 HydrophobicContact CD2-CB 4.32Å; F15-Q67 HydrophobicContact CD2-CG 3.64Å; F15-Q67 HydrophobicContact CE1-CB 3.71Å; F15-Q67 HydrophobicContact CE1-CG 4.1Å; F15-Q67 HydrophobicContact CE2-CB 4.24Å; F15-Q67 HydrophobicContact CE2-CG 3.93Å; F15-Q67 HydrophobicContact CG-CB 4.09Å; F15-Q67 HydrophobicContact CG-CG 3.57Å; F15-Q67 HydrophobicContact CZ-CB 3.92Å; F15-Q67 HydrophobicContact CZ-CG 4.13Å; L63-Q67 WeakPolarHBondContact O-CB 3.34Å; L63-Q67 PolarHBondContact O-N 2.59Å; F64-Q67 PolarHBondContact O-N 2.94Å; E65-Q67 VanDerWaalsContact C-N 3.29Å; E65-Q67 PolarHBondContact O-N 3.04Å; Q67-I69 VanDerWaalsContact C-N 3.29Å; Q67-I69 PolarHBondContact O-N 3.23Å; Q67-A70 PolarHBondContact O-N 2.77Å; Q67-E71 HydrophobicContact CG-CG 4.15Å; Q67-E71 WeakPolarHBondContact O-CB 3.4Å; Q67-E71 WeakPolarHBondContact O-CG 3.14Å; Q67-E71 PolarHBondContact O-N 2.95Å |
| 68 | E | 91 | Very high | 92.8 | Very high | 17 Ų | 17 | 29 Ų | 29 | 8% | 0.079 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.4 | -44 | 176.7 | -174.6 | 175.4 | -151.3 | 0 | 0 | 110.8 | R6 V9 F64 E65 S72 H223 W229 | R6-E68 IonicContact CZ-OE1 2.8Å; R6-E68 IonicContact NE-OE1 3.82Å; R6-E68 IonicContact NH2-OE1 3.74Å; R6-E68 PolarHBondContact NH2-OE1 3.14Å; V9-E68 HydrophobicContact CG2-CB 4.19Å; F64-E68 WeakPolarHBondContact O-CB 3.26Å; F64-E68 PolarHBondContact O-N 3.13Å; E65-E68 PolarHBondContact O-N 3.43Å; E68-S72 WeakPolarHBondContact O-CB 3.45Å; E68-S72 PolarHBondContact O-N 3.15Å; E68-S72 PolarHBondContact O-OG 2.86Å; E68-H223 IonicContact OE2-CD2 3.58Å; E68-H223 PolarHBondContact OE2-CD2 2.92Å; E68-W229 HydrophobicContact CG-CH2 4.32Å; E68-W229 HydrophobicContact CG-CZ2 3.9Å |
| 69 | I | 94 | Very high | 93.1 | Very high | 4 Ų | 4 | 26.1 Ų | 26.1 | 2% | 0.021 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.7 | -49.6 | 176.2 | -65.7 | 166.8 | 0 | 0 | 0 | 111.7 | I49 Y51 E65 Q67 L73 I77 W122 W229 | I49-I69 HydrophobicContact CD1-CG2 3.62Å; Y51-I69 HydrophobicContact CD2-CD1 4.11Å; Y51-I69 HydrophobicContact CE2-CD1 3.78Å; E65-I69 HydrophobicContact CG-CD1 3.99Å; E65-I69 VanDerWaalsContact O-CG1 3.28Å; E65-I69 WeakPolarHBondContact O-CG1 3.5Å; E65-I69 PolarHBondContact O-N 3.04Å; Q67-I69 VanDerWaalsContact C-N 3.29Å; Q67-I69 PolarHBondContact O-N 3.23Å; I69-L73 HydrophobicContact CG2-CD1 3.97Å; I69-L73 WeakPolarHBondContact O-CB 3.47Å; I69-L73 WeakPolarHBondContact O-CG 3.44Å; I69-L73 PolarHBondContact O-N 3.46Å; I69-L73 VanDerWaalsContact O-N 3.17Å; I69-I77 HydrophobicContact CB-CD1 4.24Å; I69-I77 HydrophobicContact CG2-CD1 3.98Å; I69-W122 HydrophobicContact CG2-CE3 4.31Å; I69-W122 HydrophobicContact CG2-CH2 4.41Å; I69-W122 HydrophobicContact CG2-CZ3 3.99Å; I69-W229 HydrophobicContact CB-CH2 4.39Å; I69-W229 HydrophobicContact CG1-CH2 3.88Å |
| 70 | A | 93.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.4 | -48.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F15 V66 Q67 N74 L75 I77 | F15-A70 HydrophobicContact CE2-CB 3.9Å; F15-A70 HydrophobicContact CZ-CB 4.03Å; V66-A70 WeakPolarHBondContact O-CB 3.33Å; V66-A70 PolarHBondContact O-N 3.43Å; Q67-A70 PolarHBondContact O-N 2.77Å; A70-N74 WeakPolarHBondContact O-CA 3.43Å; A70-N74 PolarHBondContact O-N 3.23Å; A70-L75 WeakPolarHBondContact CA-O 3.3Å; A70-L75 WeakPolarHBondContact CB-O 3.29Å; A70-L75 PolarHBondContact O-N 3.45Å; A70-I77 HydrophobicContact CB-CB 4.45Å; A70-I77 HydrophobicContact CB-CG2 3.8Å |
| 71 | E | 90.2 | Very high | 93.6 | Very high | 3 Ų | 3 | 22.6 Ų | 22.6 | 1% | 0.014 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -75.7 | -39.6 | -176.9 | -58.6 | -61 | 168.5 | 0 | 0 | 111.3 | I7 R18 S40 Q67 L73 N74 | I7-E71 WeakPolarHBondContact CD1-O 3.25Å; I7-E71 HydrophobicContact CG2-CB 4.47Å; R18-E71 IonicContact NH2-OE1 3.21Å; R18-E71 PolarHBondContact NH2-OE1 3.21Å; S40-E71 VanDerWaalsContact CB-OE2 3.3Å; S40-E71 WeakPolarHBondContact CB-OE2 3.22Å; S40-E71 PolarHBondContact N-OE1 2.95Å; S40-E71 VanDerWaalsContact N-OE1 3.13Å; S40-E71 PolarHBondContact N-OE2 3.29Å; S40-E71 PolarHBondContact OG-OE2 3Å; Q67-E71 HydrophobicContact CG-CG 4.15Å; Q67-E71 WeakPolarHBondContact O-CB 3.4Å; Q67-E71 WeakPolarHBondContact O-CG 3.14Å; Q67-E71 PolarHBondContact O-N 2.95Å; E71-L73 PolarHBondContact O-N 2.83Å; E71-N74 PolarHBondContact O-N 3.42Å; E71-N74 PolarHBondContact O-OD1 3.22Å |
| 72 | S | 89.8 | Confident | 94 | Very high | 22 Ų | 22 | 13.2 Ų | 13.2 | 15% | 0.154 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -65.6 | -24.5 | 178 | -59.5 | 0 | 0 | 0 | 0 | 113.4 | E68 V245 | E68-S72 WeakPolarHBondContact O-CB 3.45Å; E68-S72 PolarHBondContact O-N 3.15Å; E68-S72 PolarHBondContact O-OG 2.86Å; S72-V245 WeakPolarHBondContact O-CG2 3.29Å |
| 73 | L | 92.6 | Very high | 94.2 | Very high | 16 Ų | 16 | 13 Ų | 13 | 8% | 0.084 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -107.9 | -7.6 | -179.4 | -58.5 | 176.9 | 0 | 0 | 0 | 113.4 | I49 I69 E71 L75 W122 W229 V232 E233 L236 | I49-L73 HydrophobicContact CD1-CD1 3.95Å; I69-L73 HydrophobicContact CG2-CD1 3.97Å; I69-L73 WeakPolarHBondContact O-CB 3.47Å; I69-L73 WeakPolarHBondContact O-CG 3.44Å; I69-L73 PolarHBondContact O-N 3.46Å; I69-L73 VanDerWaalsContact O-N 3.17Å; E71-L73 PolarHBondContact O-N 2.83Å; L73-L75 VanDerWaalsContact C-N 3.27Å; L73-L75 HydrophobicContact CB-CB 4.39Å; L73-L75 HydrophobicContact CB-CD1 4.17Å; L73-L75 HydrophobicContact CB-CG 4.1Å; L73-L75 PolarHBondContact O-N 2.87Å; L73-W122 HydrophobicContact CD1-CH2 4.3Å; L73-W122 HydrophobicContact CD1-CZ3 3.68Å; L73-W229 HydrophobicContact CD1-CZ3 4.28Å; L73-W229 HydrophobicContact CD2-CE3 4.2Å; L73-W229 HydrophobicContact CD2-CZ3 4.17Å; L73-W229 HydrophobicContact CG-CZ3 4.05Å; L73-V232 HydrophobicContact CD1-CG1 3.96Å; L73-V232 HydrophobicContact CD2-CG1 3.97Å; L73-E233 HydrophobicContact CD2-CG 4.3Å; L73-L236 HydrophobicContact CD1-CD1 4.09Å; L73-L236 HydrophobicContact CD2-CD1 4.04Å; L73-L236 HydrophobicContact CG-CD1 4.49Å |
| 74 | N | 92.2 | Very high | 94.5 | Very high | 3 Ų | 3 | 13.2 Ų | 13.2 | 2% | 0.016 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 44.3 | -171.5 | -59.5 | -47.9 | 0 | 0 | 0 | 112.4 | N39 L41 R42 A70 E71 V245 | N39-N74 VanDerWaalsContact CG-C 3.46Å; L41-N74 WeakPolarHBondContact CB-OD1 3.4Å; L41-N74 WeakPolarHBondContact CD1-OD1 3.49Å; R42-N74 HydrophobicContact CB-CB 3.91Å; A70-N74 WeakPolarHBondContact O-CA 3.43Å; A70-N74 PolarHBondContact O-N 3.23Å; E71-N74 PolarHBondContact O-N 3.42Å; E71-N74 PolarHBondContact O-OD1 3.22Å; N74-V245 WeakPolarHBondContact ND2-CG1 3.4Å; N74-V245 WeakPolarHBondContact ND2-CG2 3.28Å |
| 75 | L | 95.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 5% | 0.05 | C | C | . | . | trans | -124.9 | 142.9 | -178.6 | -65.5 | -178.6 | 0 | 0 | 0 | 111.3 | S45 P46 I49 A70 L73 I120 L236 L242 | S45-L75 WeakPolarHBondContact OG-CA 3.29Å; P46-L75 HydrophobicContact CG-CD2 3.9Å; I49-L75 HydrophobicContact CD1-CB 4.15Å; I49-L75 HydrophobicContact CD1-CD1 4.04Å; I49-L75 HydrophobicContact CG1-CB 4.38Å; I49-L75 HydrophobicContact CG1-CD1 4.14Å; A70-L75 WeakPolarHBondContact CA-O 3.3Å; A70-L75 WeakPolarHBondContact CB-O 3.29Å; A70-L75 PolarHBondContact O-N 3.45Å; L73-L75 VanDerWaalsContact C-N 3.27Å; L73-L75 HydrophobicContact CB-CB 4.39Å; L73-L75 HydrophobicContact CB-CD1 4.17Å; L73-L75 HydrophobicContact CB-CG 4.1Å; L73-L75 PolarHBondContact O-N 2.87Å; L75-I120 HydrophobicContact CD1-CD1 3.88Å; L75-L236 HydrophobicContact CD1-CD1 4.24Å; L75-L242 HydrophobicContact CD1-CD1 3.98Å; L75-L242 HydrophobicContact CD2-CD1 3.96Å; L75-L242 HydrophobicContact CG-CD1 4.45Å | ||
| 76 | D | 96.8 | Very high | 94.9 | Very high | 11 Ų | 11 | 9.3 Ų | 9.3 | 6% | 0.059 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 152.7 | 169.6 | -69.2 | -7.1 | 0 | 0 | 0 | 109.7 | R38 N39 Q43 S45 T48 I49 | R38-D76 VanDerWaalsContact CA-OD1 3.28Å; R38-D76 WeakPolarHBondContact CA-OD1 3.2Å; N39-D76 PolarHBondContact N-OD1 3.11Å; N39-D76 PolarHBondContact ND2-OD1 3.06Å; Q43-D76 PolarHBondContact NE2-OD1 2.82Å; S45-D76 WeakPolarHBondContact CB-OD2 3.33Å; S45-D76 PolarHBondContact OG-N 3.5Å; T48-D76 CarbonylContact C-O 3.55Å; T48-D76 VanDerWaalsContact CA-O 3.29Å; T48-D76 WeakPolarHBondContact CA-O 3.4Å; T48-D76 HydrophobicContact CG2-CB 4.15Å; I49-D76 PolarHBondContact N-O 3.16Å |
| 77 | I | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 131.7 | -177.4 | -171.6 | 158.5 | 0 | 0 | 0 | 110.1 | F15 H36 A37 I49 Y51 V66 I69 A70 | F15-I77 HydrophobicContact CZ-CG2 4.28Å; H36-I77 CarbonylContact C-O 3.51Å; H36-I77 WeakPolarHBondContact CA-O 3.43Å; A37-I77 HydrophobicContact CB-CG2 3.9Å; A37-I77 PolarHBondContact N-O 2.86Å; A37-I77 PolarHBondContact O-N 2.99Å; I49-I77 HydrophobicContact CB-CB 4.36Å; I49-I77 HydrophobicContact CB-CD1 4.32Å; I49-I77 HydrophobicContact CB-CG1 4.06Å; I49-I77 HydrophobicContact CG2-CD1 4.13Å; I49-I77 HydrophobicContact CG2-CG1 4.19Å; I49-I77 CarbonylContact O-C 3.52Å; I49-I77 WeakPolarHBondContact O-CA 3.47Å; Y51-I77 HydrophobicContact CG-CD1 4.16Å; V66-I77 HydrophobicContact CB-CD1 4.37Å; V66-I77 HydrophobicContact CG1-CB 4.33Å; V66-I77 HydrophobicContact CG1-CD1 3.92Å; V66-I77 HydrophobicContact CG1-CG1 4.07Å; V66-I77 HydrophobicContact CG1-CG2 3.33Å; V66-I77 HydrophobicContact CG2-CD1 4.39Å; I69-I77 HydrophobicContact CB-CD1 4.24Å; I69-I77 HydrophobicContact CG2-CD1 3.98Å; A70-I77 HydrophobicContact CB-CB 4.45Å; A70-I77 HydrophobicContact CB-CG2 3.8Å |
| 78 | L | 98.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 119 | 166.8 | -171.5 | 147.8 | 0 | 0 | 0 | 108.4 | C34 L35 H36 T48 I49 L50 Y51 Y80 A104 C107 L108 | C34-L78 HydrophobicContact CB-CD1 4.4Å; C34-L78 HydrophobicContact CB-CD2 4.07Å; C34-L78 HydrophobicContact CB-CG 4.37Å; L35-L78 VanDerWaalsContact O-CA 3.3Å; L35-L78 WeakPolarHBondContact O-CA 3.39Å; H36-L78 HydrophobicContact CB-CD1 4.15Å; H36-L78 HydrophobicContact CB-CG 4.47Å; T48-L78 HydrophobicContact CG2-CB 4.5Å; I49-L78 PolarHBondContact O-N 2.92Å; L50-L78 CarbonylContact C-O 3.54Å; L50-L78 WeakPolarHBondContact CA-O 3.39Å; L50-L78 HydrophobicContact CD1-CB 4.43Å; L50-L78 HydrophobicContact CD1-CD2 3.45Å; L50-L78 VanDerWaalsContact CD1-CD2 3.45Å; L50-L78 WeakPolarHBondContact CD1-O 3.28Å; Y51-L78 PolarHBondContact N-O 2.89Å; L78-Y80 HydrophobicContact CD2-CD1 4.37Å; L78-A104 HydrophobicContact CD2-CB 3.9Å; L78-C107 HydrophobicContact CD1-CB 4.06Å; L78-L108 HydrophobicContact CB-CD2 3.75Å; L78-L108 HydrophobicContact CB-CG 4.35Å; L78-L108 HydrophobicContact CD1-CD2 3.59Å; L78-L108 HydrophobicContact CD1-CG 3.98Å; L78-L108 HydrophobicContact CG-CD2 4.22Å |
| 79 | C | 98 | Very high | 95.4 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.007 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 164 | 169.7 | 54.4 | 0 | 0 | 0 | 0 | 109.6 | C34 L35 Y51 L59 I62 V66 | C34-C79 CarbonylContact C-O 3.48Å; C34-C79 WeakPolarHBondContact CA-O 3.33Å; L35-C79 PolarHBondContact N-O 2.92Å; L35-C79 PolarHBondContact O-N 3.28Å; Y51-C79 HydrophobicContact CD1-CB 4.4Å; L59-C79 HydrophobicContact CD2-CB 3.92Å; L59-C79 WeakPolarHBondContact CD2-SG 3.41Å; I62-C79 HydrophobicContact CD1-CB 3.94Å; V66-C79 HydrophobicContact CG2-CB 4.1Å |
| 80 | Y | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 145.4 | -173.8 | 59.7 | -81.5 | 0 | 0 | 0 | 112.2 | V32 V33 L50 Y51 S52 Q53 L78 Y82 A101 A104 | V32-Y80 HydrophobicContact CG1-CD2 4.29Å; V33-Y80 CarbonylContact O-C 3.35Å; V33-Y80 VanDerWaalsContact O-CA 3.22Å; V33-Y80 WeakPolarHBondContact O-CA 3.3Å; V33-Y80 WeakPolarHBondContact O-CB 3.03Å; L50-Y80 HydrophobicContact CD1-CD1 3.8Å; L50-Y80 HydrophobicContact CD1-CE1 3.7Å; L50-Y80 HydrophobicContact CG-CE1 4.31Å; Y51-Y80 WeakPolarHBondContact O-CE1 3.39Å; S52-Y80 PolarHBondContact OG-OH 2.91Å; Q53-Y80 PolarHBondContact NE2-O 3.05Å; Q53-Y80 PolarHBondContact OE1-O 2.94Å; L78-Y80 HydrophobicContact CD2-CD1 4.37Å; Y80-Y82 AromaticContact CD2-CD1 3.98Å; Y80-Y82 HydrophobicContact CD2-CD1 3.98Å; Y80-Y82 HydrophobicContact CD2-CE1 4.19Å; Y80-Y82 AromaticContact CE2-CD1 3.51Å; Y80-Y82 HydrophobicContact CE2-CD1 3.51Å; Y80-Y82 AromaticContact CE2-CE1 3.48Å; Y80-Y82 HydrophobicContact CE2-CE1 3.48Å; Y80-Y82 VanDerWaalsContact CE2-CE1 3.48Å; Y80-Y82 AromaticContact CZ-CE1 3.83Å; Y80-A101 HydrophobicContact CE2-CB 4.45Å; Y80-A101 WeakPolarHBondContact OH-CA 3.35Å; Y80-A101 WeakPolarHBondContact OH-CB 3.36Å; Y80-A104 HydrophobicContact CD1-CB 3.36Å; Y80-A104 HydrophobicContact CD2-CB 4.02Å; Y80-A104 HydrophobicContact CE1-CB 3.77Å; Y80-A104 HydrophobicContact CE2-CB 4.35Å; Y80-A104 HydrophobicContact CG-CB 3.51Å |
| 81 | D | 97.7 | Very high | 95.7 | Very high | 3 Ų | 3 | 27.5 Ų | 27.5 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | P | Polyproline II helix | trans | -76.6 | 130.2 | 172.6 | -83.6 | -29.4 | 0 | 0 | 0 | 110.6 | V32 V33 D58 L59 G86 C87 S88 | V32-D81 WeakPolarHBondContact CG1-O 3.42Å; V33-D81 PolarHBondContact O-N 2.94Å; D58-D81 VanDerWaalsContact CA-OD1 3.25Å; D58-D81 WeakPolarHBondContact CA-OD1 3.35Å; D58-D81 WeakPolarHBondContact CB-OD1 3.36Å; L59-D81 HydrophobicContact CD1-CB 4.43Å; L59-D81 HydrophobicContact CG-CB 4.41Å; L59-D81 WeakPolarHBondContact CG-OD1 3.33Å; L59-D81 PolarHBondContact N-OD1 3.19Å; D81-G86 WeakPolarHBondContact OD2-CA 3.28Å; D81-C87 PolarHBondContact OD2-N 2.82Å; D81-S88 WeakPolarHBondContact CB-OG 3.46Å; D81-S88 WeakPolarHBondContact O-CB 3.33Å; D81-S88 PolarHBondContact O-OG 3.14Å |
| 82 | Y | 97.6 | Very high | 95.9 | Very high | 4 Ų | 4 | 31.7 Ų | 31.7 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -62.1 | 149.6 | 171.2 | -53.2 | -29.9 | 0 | 0 | 0 | 110.9 | S52 Q53 Y80 G84 Y85 S88 L97 S100 L126 G127 | S52-Y82 WeakPolarHBondContact CA-OH 3.5Å; S52-Y82 WeakPolarHBondContact CB-OH 3.34Å; Q53-Y82 HydrophobicContact CG-CE2 4.36Å; Q53-Y82 PolarHBondContact N-OH 2.8Å; Q53-Y82 PolarHBondContact O-OH 2.97Å; Y80-Y82 AromaticContact CD2-CD1 3.98Å; Y80-Y82 HydrophobicContact CD2-CD1 3.98Å; Y80-Y82 HydrophobicContact CD2-CE1 4.19Å; Y80-Y82 AromaticContact CE2-CD1 3.51Å; Y80-Y82 HydrophobicContact CE2-CD1 3.51Å; Y80-Y82 AromaticContact CE2-CE1 3.48Å; Y80-Y82 HydrophobicContact CE2-CE1 3.48Å; Y80-Y82 VanDerWaalsContact CE2-CE1 3.48Å; Y80-Y82 AromaticContact CZ-CE1 3.83Å; Y82-G84 PolarHBondContact O-N 3.03Å; Y82-G84 VanDerWaalsContact O-N 3.08Å; Y82-Y85 AromaticContact CD2-CD1 3.62Å; Y82-Y85 HydrophobicContact CD2-CD1 3.62Å; Y82-Y85 AromaticContact CD2-CE1 3.53Å; Y82-Y85 HydrophobicContact CD2-CE1 3.53Å; Y82-Y85 HydrophobicContact CD2-CG 4.31Å; Y82-Y85 HydrophobicContact CE2-CD1 4.41Å; Y82-Y85 HydrophobicContact CE2-CE1 4.11Å; Y82-Y85 HydrophobicContact CG-CD1 4.22Å; Y82-Y85 WeakPolarHBondContact O-CA 3.47Å; Y82-Y85 WeakPolarHBondContact O-CB 3.4Å; Y82-Y85 PolarHBondContact O-N 3.05Å; Y82-S88 WeakPolarHBondContact O-CB 3.45Å; Y82-L97 HydrophobicContact CD1-CG 4.3Å; Y82-L97 HydrophobicContact CD2-CD1 4.17Å; Y82-L97 HydrophobicContact CD2-CG 4.26Å; Y82-L97 HydrophobicContact CE1-CG 4.4Å; Y82-L97 HydrophobicContact CE2-CD1 4.1Å; Y82-L97 HydrophobicContact CE2-CG 4.38Å; Y82-L97 HydrophobicContact CG-CG 4.22Å; Y82-S100 WeakPolarHBondContact CA-OG 3.46Å; Y82-L126 HydrophobicContact CE2-CD2 4.5Å; Y82-G127 WeakPolarHBondContact OH-CA 3.35Å |
| 83 | L | 97.7 | Very high | 96.2 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 119.8 | 174.5 | -79.4 | 178.8 | 0 | 0 | 0 | 109.6 | A26 N28 K30 H31 V32 E89 K91 N96 R99 S100 | A26-L83 HydrophobicContact CB-CD1 3.96Å; N28-L83 WeakPolarHBondContact ND2-CD1 3.22Å; K30-L83 HydrophobicContact CB-CD1 4.33Å; K30-L83 HydrophobicContact CB-CD2 3.54Å; H31-L83 WeakPolarHBondContact O-CD2 3.48Å; V32-L83 HydrophobicContact CG2-CD2 3.6Å; V32-L83 HydrophobicContact CG2-CG 3.75Å; L83-E89 CarbonylContact C-O 3.55Å; L83-E89 WeakPolarHBondContact CA-O 3.38Å; L83-E89 WeakPolarHBondContact CB-O 3.41Å; L83-E89 WeakPolarHBondContact CD2-O 3.44Å; L83-K91 CarbonylContact O-C 3.51Å; L83-N96 HydrophobicContact CB-CB 3.81Å; L83-N96 HydrophobicContact CD1-CB 4.12Å; L83-R99 HydrophobicContact CD1-CB 4.29Å; L83-S100 WeakPolarHBondContact CG-OG 2.93Å; L83-S100 PolarHBondContact N-OG 3.23Å |
| 84 | G | 95.9 | Very high | 96.3 | Very high | 28 Ų | 28 | 34.3 Ų | 34.3 | 29% | 0.289 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.5 | 4.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y82 E89 | Y82-G84 PolarHBondContact O-N 3.03Å; Y82-G84 VanDerWaalsContact O-N 3.08Å; G84-E89 PolarHBondContact N-O 3.3Å |
| 85 | Y | 95.5 | Very high | 96.5 | Very high | 35 Ų | 35 | 36.5 Ų | 36.5 | 14% | 0.137 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -112 | 153.6 | 171.6 | -75.6 | -154.8 | 0 | 0 | 0 | 109.9 | N55 S57 Y82 C87 S88 P92 L126 | N55-Y85 PolarHBondContact OD1-OH 2.94Å; S57-Y85 WeakPolarHBondContact O-CD1 3.47Å; Y82-Y85 AromaticContact CD2-CD1 3.62Å; Y82-Y85 HydrophobicContact CD2-CD1 3.62Å; Y82-Y85 AromaticContact CD2-CE1 3.53Å; Y82-Y85 HydrophobicContact CD2-CE1 3.53Å; Y82-Y85 HydrophobicContact CD2-CG 4.31Å; Y82-Y85 HydrophobicContact CE2-CD1 4.41Å; Y82-Y85 HydrophobicContact CE2-CE1 4.11Å; Y82-Y85 HydrophobicContact CG-CD1 4.22Å; Y82-Y85 WeakPolarHBondContact O-CA 3.47Å; Y82-Y85 WeakPolarHBondContact O-CB 3.4Å; Y82-Y85 PolarHBondContact O-N 3.05Å; Y85-C87 PolarHBondContact O-N 3.43Å; Y85-S88 WeakPolarHBondContact O-CB 3.37Å; Y85-S88 PolarHBondContact O-N 3.34Å; Y85-P92 HydrophobicContact CD2-CB 4.26Å; Y85-P92 HydrophobicContact CE2-CB 3.81Å; Y85-L126 WeakPolarHBondContact OH-CD2 3.11Å |
| 86 | G | 94.6 | Very high | 96.6 | Very high | 48 Ų | 48 | 37.3 Ų | 37.3 | 50% | 0.495 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 44.6 | -122.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | D81 | D81-G86 WeakPolarHBondContact OD2-CA 3.28Š|
| 87 | C | 94.4 | Very high | 96.6 | Very high | 102 Ų | 102 | 37.1 Ų | 37.1 | 69% | 0.689 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -0.9 | 179.6 | -63.3 | 0 | 0 | 0 | 0 | 114.3 | V33 D81 Y85 | V33-C87 HydrophobicContact CB-CB 4.35Å; V33-C87 HydrophobicContact CG2-CB 3.75Å; V33-C87 WeakPolarHBondContact CG2-O 3.32Å; D81-C87 PolarHBondContact OD2-N 2.82Å; Y85-C87 PolarHBondContact O-N 3.43Å |
| 88 | S | 96.7 | Very high | 96.7 | Very high | 9 Ų | 9 | 37.7 Ų | 37.7 | 6% | 0.063 | 24% | 0.24 | C | C | . | . | trans | -81 | 139.8 | 177.5 | -78.2 | 0 | 0 | 0 | 0 | 112.2 | V32 V33 D81 Y82 Y85 | V32-S88 WeakPolarHBondContact CA-OG 3.39Å; V33-S88 PolarHBondContact N-OG 3.2Å; D81-S88 WeakPolarHBondContact CB-OG 3.46Å; D81-S88 WeakPolarHBondContact O-CB 3.33Å; D81-S88 PolarHBondContact O-OG 3.14Å; Y82-S88 WeakPolarHBondContact O-CB 3.45Å; Y85-S88 WeakPolarHBondContact O-CB 3.37Å; Y85-S88 PolarHBondContact O-N 3.34Å | ||
| 89 | E | 97.4 | Very high | 96.7 | Very high | 80 Ų | 80 | 41.4 Ų | 41.4 | 37% | 0.374 | 25% | 0.254 | S | S | . | . | trans | -70.1 | 169.9 | -178.3 | -64.3 | -178.4 | 147 | 0 | 0 | 112.7 | K30 H31 L83 G84 | K30-E89 VanDerWaalsContact CA-OE2 3.29Å; K30-E89 WeakPolarHBondContact CA-OE2 3.49Å; K30-E89 HydrophobicContact CB-CB 4.1Å; K30-E89 HydrophobicContact CD-CB 4.07Å; K30-E89 VanDerWaalsContact CD-OE2 3.28Å; K30-E89 WeakPolarHBondContact CD-OE2 3.49Å; H31-E89 HydrophobicContact CB-CG 4.25Å; H31-E89 IonicContact CG-OE2 3.57Å; H31-E89 PolarHBondContact N-OE2 2.88Å; H31-E89 IonicContact ND1-OE1 3.97Å; H31-E89 IonicContact ND1-OE2 3.98Å; H31-E89 PolarHBondContact ND1-OE2 3.21Å; H31-E89 PolarHBondContact O-N 3.02Å; L83-E89 CarbonylContact C-O 3.55Å; L83-E89 WeakPolarHBondContact CA-O 3.38Å; L83-E89 WeakPolarHBondContact CB-O 3.41Å; L83-E89 WeakPolarHBondContact CD2-O 3.44Å; G84-E89 PolarHBondContact N-O 3.3Å | ||
| 90 | G | 96.1 | Very high | 96.7 | Very high | 46 Ų | 46 | 41.4 Ų | 41.4 | 47% | 0.474 | 25% | 0.254 | S | S | . | . | S | Bend | trans | 97.4 | -147.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 91 | K | 96.3 | Very high | 96.7 | Very high | 165 Ų | 165 | 41.4 Ų | 41.4 | 72% | 0.717 | 25% | 0.254 | S | S | * | . | trans | -139.9 | 145.1 | -177.5 | -67.5 | -174 | -179.8 | -177.2 | 0 | 110.2 | L83 S93 N96 | L83-K91 CarbonylContact O-C 3.51Å; K91-S93 PolarHBondContact O-N 2.8Å; K91-N96 PolarHBondContact O-ND2 3.2Å | ||
| 92 | P | 95 | Very high | 96.8 | Very high | 91 Ų | 91 | 43.3 Ų | 43.3 | 59% | 0.591 | 26% | 0.264 | S | S | * | . | trans | -66.6 | 130.4 | 179.6 | 28.2 | -35.3 | 0 | 0 | 0 | 111.5 | Y85 | Y85-P92 HydrophobicContact CD2-CB 4.26Å; Y85-P92 HydrophobicContact CE2-CB 3.81Å | ||
| 93 | S | 95.1 | Very high | 96.8 | Very high | 54 Ų | 54 | 43.4 Ų | 43.4 | 38% | 0.378 | 27% | 0.266 | S | S | . | . | trans | -163.6 | 158.9 | 168.7 | 61 | 0 | 0 | 0 | 0 | 109.3 | K91 A95 N96 L97 | K91-S93 PolarHBondContact O-N 2.8Å; S93-A95 VanDerWaalsContact C-N 3.25Å; S93-A95 PolarHBondContact O-N 3.26Å; S93-N96 PolarHBondContact O-N 2.97Å; S93-N96 WeakPolarHBondContact OG-CB 3.37Å; S93-N96 PolarHBondContact OG-N 2.94Å; S93-L97 PolarHBondContact O-N 2.89Å | ||
| 94 | E | 95.3 | Very high | 96.9 | Very high | 40 Ų | 40 | 43.4 Ų | 43.4 | 19% | 0.187 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -54.5 | -42.6 | 176 | -178.5 | 177.8 | -177.3 | 0 | 0 | 112.2 | N96 L97 C98 V129 F169 R174 | E94-N96 VanDerWaalsContact C-N 3.3Å; E94-N96 PolarHBondContact O-N 3.37Å; E94-L97 PolarHBondContact O-N 3.15Å; E94-C98 PolarHBondContact O-N 2.95Å; E94-C98 PolarHBondContact O-SG 3.48Å; E94-V129 HydrophobicContact CG-CG1 4.25Å; E94-F169 HydrophobicContact CB-CD1 3.93Å; E94-F169 HydrophobicContact CB-CE1 3.62Å; E94-F169 HydrophobicContact CB-CZ 3.98Å; E94-F169 HydrophobicContact CG-CD1 3.83Å; E94-F169 HydrophobicContact CG-CE1 4.04Å; E94-F169 HydrophobicContact CG-CG 4.39Å; E94-F169 VanDerWaalsContact OE1-CA 3.25Å; E94-F169 WeakPolarHBondContact OE1-CA 3.48Å; E94-F169 PolarHBondContact OE1-N 2.95Å; E94-F169 VanDerWaalsContact OE1-N 3.11Å; E94-F169 PolarHBondContact OE2-N 2.98Å; E94-R174 IonicContact OE1-CZ 2.95Å; E94-R174 IonicContact OE1-NH1 2.62Å; E94-R174 PolarHBondContact OE1-NH1 3.09Å; E94-R174 IonicContact OE1-NH2 3.57Å; E94-R174 PolarHBondContact OE1-NH2 2.91Å |
| 95 | A | 96.8 | Very high | 97 | Very high | 48 Ų | 48 | 42.1 Ų | 42.1 | 40% | 0.397 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.3 | -38.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S93 R99 | S93-A95 VanDerWaalsContact C-N 3.25Å; S93-A95 PolarHBondContact O-N 3.26Å; A95-R99 VanDerWaalsContact O-CG 3.29Å; A95-R99 WeakPolarHBondContact O-CG 3.45Å; A95-R99 PolarHBondContact O-N 3.31Å |
| 96 | N | 97.6 | Very high | 97.1 | Very high | 18 Ų | 18 | 43.7 Ų | 43.7 | 10% | 0.096 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -74.8 | -35.2 | 177.8 | -84.6 | -6.8 | 0 | 0 | 0 | 112.5 | N28 L83 K91 S93 E94 R99 S100 | N28-N96 PolarHBondContact ND2-OD1 3.48Å; L83-N96 HydrophobicContact CB-CB 3.81Å; L83-N96 HydrophobicContact CD1-CB 4.12Å; K91-N96 PolarHBondContact O-ND2 3.2Å; S93-N96 PolarHBondContact O-N 2.97Å; S93-N96 WeakPolarHBondContact OG-CB 3.37Å; S93-N96 PolarHBondContact OG-N 2.94Å; E94-N96 VanDerWaalsContact C-N 3.3Å; E94-N96 PolarHBondContact O-N 3.37Å; N96-R99 PolarHBondContact O-N 2.97Å; N96-R99 PolarHBondContact OD1-NH1 3.27Å; N96-S100 PolarHBondContact O-N 3.47Å; N96-S100 PolarHBondContact O-OG 2.68Å; N96-S100 VanDerWaalsContact O-OG 3.14Å |
| 97 | L | 97.5 | Very high | 97.3 | Very high | 7 Ų | 7 | 41.4 Ų | 41.4 | 4% | 0.037 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.8 | -48.1 | 170 | -173.6 | 162.4 | 0 | 0 | 0 | 110.8 | Y82 S93 E94 R99 S100 A101 L126 V129 G130 | Y82-L97 HydrophobicContact CD1-CG 4.3Å; Y82-L97 HydrophobicContact CD2-CD1 4.17Å; Y82-L97 HydrophobicContact CD2-CG 4.26Å; Y82-L97 HydrophobicContact CE1-CG 4.4Å; Y82-L97 HydrophobicContact CE2-CD1 4.1Å; Y82-L97 HydrophobicContact CE2-CG 4.38Å; Y82-L97 HydrophobicContact CG-CG 4.22Å; S93-L97 PolarHBondContact O-N 2.89Å; E94-L97 PolarHBondContact O-N 3.15Å; L97-R99 VanDerWaalsContact C-N 3.33Å; L97-R99 PolarHBondContact O-N 3.22Å; L97-S100 WeakPolarHBondContact O-CB 3.28Å; L97-S100 PolarHBondContact O-N 2.76Å; L97-A101 PolarHBondContact O-N 2.74Å; L97-L126 HydrophobicContact CD1-CD1 4.07Å; L97-L126 HydrophobicContact CD1-CD2 4.16Å; L97-L126 HydrophobicContact CD1-CG 3.78Å; L97-V129 HydrophobicContact CD1-CB 4.49Å; L97-V129 HydrophobicContact CD2-CB 4.11Å; L97-V129 HydrophobicContact CD2-CG1 4.19Å; L97-G130 VanDerWaalsContact CD2-CA 3.48Å; L97-G130 VanDerWaalsContact CD2-N 3.27Å |
| 98 | C | 98.1 | Very high | 97.5 | Very high | 11 Ų | 11 | 36.5 Ų | 36.5 | 7% | 0.074 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.1 | -39.7 | 177.2 | -65.3 | 0 | 0 | 0 | 0 | 112.2 | E94 A101 D102 | E94-C98 PolarHBondContact O-N 2.95Å; E94-C98 PolarHBondContact O-SG 3.48Å; C98-A101 PolarHBondContact O-N 3.21Å; C98-D102 PolarHBondContact O-N 3.39Å |
| 99 | R | 98.4 | Very high | 97.6 | Very high | 79 Ų | 79 | 38.5 Ų | 38.5 | 30% | 0.298 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.2 | -37.9 | 174.8 | -74.6 | 178.3 | -168.8 | 108.5 | 5.6 | 112.6 | A26 S27 L83 A95 N96 L97 D102 A103 | A26-R99 HydrophobicContact CB-CB 4.33Å; S27-R99 WeakPolarHBondContact OG-CD 3.46Å; L83-R99 HydrophobicContact CD1-CB 4.29Å; A95-R99 VanDerWaalsContact O-CG 3.29Å; A95-R99 WeakPolarHBondContact O-CG 3.45Å; A95-R99 PolarHBondContact O-N 3.31Å; N96-R99 PolarHBondContact O-N 2.97Å; N96-R99 PolarHBondContact OD1-NH1 3.27Å; L97-R99 VanDerWaalsContact C-N 3.33Å; L97-R99 PolarHBondContact O-N 3.22Å; R99-D102 PolarHBondContact O-N 2.84Å; R99-A103 WeakPolarHBondContact O-CB 3.43Å; R99-A103 PolarHBondContact O-N 2.94Å |
| 100 | S | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.8 | -44.5 | 173.7 | -66.7 | 0 | 0 | 0 | 0 | 111.7 | Y82 L83 N96 L97 D102 A103 A104 | Y82-S100 WeakPolarHBondContact CA-OG 3.46Å; L83-S100 WeakPolarHBondContact CG-OG 2.93Å; L83-S100 PolarHBondContact N-OG 3.23Å; N96-S100 PolarHBondContact O-N 3.47Å; N96-S100 PolarHBondContact O-OG 2.68Å; N96-S100 VanDerWaalsContact O-OG 3.14Å; L97-S100 WeakPolarHBondContact O-CB 3.28Å; L97-S100 PolarHBondContact O-N 2.76Å; S100-D102 VanDerWaalsContact C-N 3.34Å; S100-D102 PolarHBondContact O-N 3.07Å; S100-A103 PolarHBondContact O-N 3.4Å; S100-A104 WeakPolarHBondContact O-CB 3.35Å; S100-A104 PolarHBondContact O-N 3.31Å |
| 101 | A | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.5 | -45 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y80 L97 C98 A103 A104 M105 L134 | Y80-A101 HydrophobicContact CE2-CB 4.45Å; Y80-A101 WeakPolarHBondContact OH-CA 3.35Å; Y80-A101 WeakPolarHBondContact OH-CB 3.36Å; L97-A101 PolarHBondContact O-N 2.74Å; C98-A101 PolarHBondContact O-N 3.21Å; A101-A103 PolarHBondContact O-N 3.48Å; A101-A104 PolarHBondContact O-N 2.65Å; A101-M105 WeakPolarHBondContact O-CB 3.44Å; A101-M105 PolarHBondContact O-N 3.16Å; A101-L134 HydrophobicContact CB-CD1 3.86Å; A101-L134 HydrophobicContact CB-CD2 4.33Å; A101-L134 HydrophobicContact CB-CG 3.93Å |
| 102 | D | 98.8 | Very high | 97.7 | Very high | 44 Ų | 44 | 37.4 Ų | 37.4 | 24% | 0.235 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.4 | -42.5 | 175 | -70.8 | -33.5 | 0 | 0 | 0 | 111.6 | C98 R99 S100 M105 E106 H133 K137 | C98-D102 PolarHBondContact O-N 3.39Å; R99-D102 PolarHBondContact O-N 2.84Å; S100-D102 VanDerWaalsContact C-N 3.34Å; S100-D102 PolarHBondContact O-N 3.07Å; D102-M105 PolarHBondContact O-N 3.43Å; D102-E106 VanDerWaalsContact O-CG 3.29Å; D102-E106 WeakPolarHBondContact O-CG 3.32Å; D102-E106 PolarHBondContact O-N 3.06Å; D102-H133 VanDerWaalsContact CG-NE2 3.32Å; D102-H133 IonicContact OD1-CD2 3.79Å; D102-H133 IonicContact OD1-NE2 3.63Å; D102-H133 PolarHBondContact OD1-NE2 3.36Å; D102-H133 IonicContact OD2-CE1 3.29Å; D102-H133 IonicContact OD2-NE2 3.49Å; D102-H133 PolarHBondContact OD2-NE2 3.49Å; D102-K137 IonicContact OD1-NZ 3.16Å; D102-K137 PolarHBondContact OD1-NZ 3.09Å; D102-K137 IonicContact OD2-NZ 3.39Å; D102-K137 PolarHBondContact OD2-NZ 3.09Å |
| 103 | A | 98.7 | Very high | 97.8 | Very high | 6 Ų | 6 | 41.3 Ų | 41.3 | 5% | 0.05 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66 | -38.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | M24 A26 V32 R99 S100 A101 E106 C107 | M24-A103 HydrophobicContact CB-CB 4.01Å; A26-A103 HydrophobicContact CB-CB 4.41Å; V32-A103 HydrophobicContact CB-CB 4.13Å; V32-A103 HydrophobicContact CG1-CB 4.41Å; V32-A103 HydrophobicContact CG2-CB 4.09Å; R99-A103 WeakPolarHBondContact O-CB 3.43Å; R99-A103 PolarHBondContact O-N 2.94Å; S100-A103 PolarHBondContact O-N 3.4Å; A101-A103 PolarHBondContact O-N 3.48Å; A103-E106 PolarHBondContact O-N 3.37Å; A103-C107 PolarHBondContact O-N 2.87Å |
| 104 | A | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.7 | -38.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | L50 L78 Y80 S100 A101 E106 C107 L108 | L50-A104 HydrophobicContact CD1-CB 3.85Å; L78-A104 HydrophobicContact CD2-CB 3.9Å; Y80-A104 HydrophobicContact CD1-CB 3.36Å; Y80-A104 HydrophobicContact CD2-CB 4.02Å; Y80-A104 HydrophobicContact CE1-CB 3.77Å; Y80-A104 HydrophobicContact CE2-CB 4.35Å; Y80-A104 HydrophobicContact CG-CB 3.51Å; S100-A104 WeakPolarHBondContact O-CB 3.35Å; S100-A104 PolarHBondContact O-N 3.31Å; A101-A104 PolarHBondContact O-N 2.65Å; A104-E106 VanDerWaalsContact C-N 3.35Å; A104-C107 WeakPolarHBondContact O-CB 3.35Å; A104-C107 PolarHBondContact O-N 3.36Å; A104-L108 PolarHBondContact O-N 2.98Å |
| 105 | M | 98.8 | Very high | 98.1 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.4 | -45.2 | 171 | -173.4 | 66.3 | 176.9 | 0 | 0 | 111.2 | L50 A101 D102 C107 L108 L109 V116 I119 L134 H138 V140 | L50-M105 HydrophobicContact CD2-CB 4.28Å; L50-M105 HydrophobicContact CD2-SD 4.18Å; A101-M105 WeakPolarHBondContact O-CB 3.44Å; A101-M105 PolarHBondContact O-N 3.16Å; D102-M105 PolarHBondContact O-N 3.43Å; M105-C107 VanDerWaalsContact C-N 3.28Å; M105-C107 PolarHBondContact O-N 2.91Å; M105-L108 PolarHBondContact O-N 3.34Å; M105-L109 HydrophobicContact CE-CD1 4.19Å; M105-L109 HydrophobicContact CE-CD2 4.3Å; M105-L109 HydrophobicContact CE-CG 4.38Å; M105-L109 HydrophobicContact CG-CD1 4.15Å; M105-L109 WeakPolarHBondContact O-CG 3.41Å; M105-L109 PolarHBondContact O-N 3.18Å; M105-V116 HydrophobicContact CE-CG2 3.77Å; M105-I119 HydrophobicContact CE-CD1 3.71Å; M105-I119 HydrophobicContact SD-CD1 3.85Å; M105-I119 HydrophobicContact SD-CG2 4.44Å; M105-L134 HydrophobicContact CB-CD1 4.3Å; M105-L134 HydrophobicContact CB-CD2 3.81Å; M105-L134 HydrophobicContact CG-CD2 4.19Å; M105-H138 HydrophobicContact CE-CB 4.02Å; M105-V140 HydrophobicContact CE-CG1 4.26Å |
| 106 | E | 98.5 | Very high | 98.2 | Very high | 67 Ų | 67 | 43.4 Ų | 43.4 | 31% | 0.313 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.1 | -34 | 175.7 | -72.7 | -73.1 | 127.4 | 0 | 0 | 112.5 | M24 D102 A103 A104 L109 K110 | M24-E106 HydrophobicContact CE-CB 4.44Å; D102-E106 VanDerWaalsContact O-CG 3.29Å; D102-E106 WeakPolarHBondContact O-CG 3.32Å; D102-E106 PolarHBondContact O-N 3.06Å; A103-E106 PolarHBondContact O-N 3.37Å; A104-E106 VanDerWaalsContact C-N 3.35Å; E106-L109 PolarHBondContact O-N 2.99Å; E106-K110 WeakPolarHBondContact O-CB 3.45Å; E106-K110 PolarHBondContact O-N 3.08Å; E106-K110 VanDerWaalsContact OE2-CD 3.28Å; E106-K110 WeakPolarHBondContact OE2-CD 3.43Å; E106-K110 WeakPolarHBondContact OE2-CE 3.21Å; E106-K110 IonicContact OE2-NZ 2.81Å; E106-K110 PolarHBondContact OE2-NZ 2.98Å |
| 107 | C | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | I | π-helix | trans | -57.8 | -49.1 | 172.5 | -166.7 | 0 | 0 | 0 | 0 | 111.3 | Y22 M24 L78 A103 A104 M105 L109 E111 V112 | Y22-C107 VanDerWaalsContact CG-SG 3.52Å; M24-C107 HydrophobicContact CE-CB 4.04Å; M24-C107 HydrophobicContact CG-CB 3.75Å; M24-C107 HydrophobicContact SD-CB 3.76Å; L78-C107 HydrophobicContact CD1-CB 4.06Å; A103-C107 PolarHBondContact O-N 2.87Å; A104-C107 WeakPolarHBondContact O-CB 3.35Å; A104-C107 PolarHBondContact O-N 3.36Å; M105-C107 VanDerWaalsContact C-N 3.28Å; M105-C107 PolarHBondContact O-N 2.91Å; C107-L109 PolarHBondContact O-N 3.22Å; C107-E111 WeakPolarHBondContact O-CA 3.37Å; C107-E111 WeakPolarHBondContact O-CB 3.44Å; C107-E111 PolarHBondContact O-N 2.83Å; C107-V112 PolarHBondContact O-N 2.85Å |
| 108 | L | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | I | π-helix | trans | -62.4 | -43.2 | 178.8 | -69.6 | 177.6 | 0 | 0 | 0 | 111.9 | T48 L50 L78 A104 M105 V112 K113 L114 I119 | T48-L108 HydrophobicContact CG2-CD2 3.78Å; L50-L108 HydrophobicContact CB-CD1 3.83Å; L50-L108 HydrophobicContact CD1-CD1 4.27Å; L50-L108 HydrophobicContact CD2-CD1 4.12Å; L50-L108 HydrophobicContact CG-CD1 4.3Å; L78-L108 HydrophobicContact CB-CD2 3.75Å; L78-L108 HydrophobicContact CB-CG 4.35Å; L78-L108 HydrophobicContact CD1-CD2 3.59Å; L78-L108 HydrophobicContact CD1-CG 3.98Å; L78-L108 HydrophobicContact CG-CD2 4.22Å; A104-L108 PolarHBondContact O-N 2.98Å; M105-L108 PolarHBondContact O-N 3.34Å; L108-V112 HydrophobicContact CD2-CG2 4.25Å; L108-K113 PolarHBondContact O-N 3.48Å; L108-L114 HydrophobicContact CD2-CD1 4Å; L108-L114 PolarHBondContact O-N 2.85Å; L108-I119 HydrophobicContact CB-CD1 3.83Å; L108-I119 HydrophobicContact CD1-CD1 3.93Å; L108-I119 HydrophobicContact CD1-CG1 4.14Å; L108-I119 HydrophobicContact CD1-CG2 3.93Å |
| 109 | L | 98.4 | Very high | 98.2 | Very high | 50 Ų | 50 | 49.4 Ų | 49.4 | 26% | 0.262 | 24% | 0.243 | S | C | . | . | I | π-helix | trans | -73.9 | -38 | -175.9 | -63.8 | 178 | 0 | 0 | 0 | 113.2 | M105 E106 C107 K113 L114 V116 I119 | M105-L109 HydrophobicContact CE-CD1 4.19Å; M105-L109 HydrophobicContact CE-CD2 4.3Å; M105-L109 HydrophobicContact CE-CG 4.38Å; M105-L109 HydrophobicContact CG-CD1 4.15Å; M105-L109 WeakPolarHBondContact O-CG 3.41Å; M105-L109 PolarHBondContact O-N 3.18Å; E106-L109 PolarHBondContact O-N 2.99Å; C107-L109 PolarHBondContact O-N 3.22Å; L109-K113 WeakPolarHBondContact O-CA 3.38Å; L109-L114 WeakPolarHBondContact CD2-O 3.28Å; L109-V116 HydrophobicContact CD2-CB 4.32Å; L109-I119 HydrophobicContact CD2-CD1 3.9Å |
| 110 | K | 97.7 | Very high | 98.2 | Very high | 128 Ų | 128 | 45.6 Ų | 45.6 | 56% | 0.557 | 23% | 0.229 | S | C | * | . | I | π-helix | trans | -104.6 | -45.5 | -171 | -67.4 | -180 | 171.2 | 165.2 | 0 | 114.1 | E106 K113 | E106-K110 WeakPolarHBondContact O-CB 3.45Å; E106-K110 PolarHBondContact O-N 3.08Å; E106-K110 VanDerWaalsContact OE2-CD 3.28Å; E106-K110 WeakPolarHBondContact OE2-CD 3.43Å; E106-K110 WeakPolarHBondContact OE2-CE 3.21Å; E106-K110 IonicContact OE2-NZ 2.81Å; E106-K110 PolarHBondContact OE2-NZ 2.98Å; K110-K113 VanDerWaalsContact O-CG 3.29Å; K110-K113 WeakPolarHBondContact O-CG 3.48Å |
| 111 | E | 97.7 | Very high | 98.3 | Very high | 106 Ų | 106 | 45.7 Ų | 45.7 | 50% | 0.495 | 23% | 0.229 | S | C | . | . | I | π-helix | trans | -86 | -49.2 | -175.5 | -55.7 | -55.3 | 144.2 | 0 | 0 | 110.9 | Y22 M24 C107 K113 | Y22-E111 HydrophobicContact CD1-CB 4.04Å; Y22-E111 HydrophobicContact CD1-CG 4.34Å; Y22-E111 HydrophobicContact CE1-CB 3.83Å; M24-E111 HydrophobicContact CE-CG 4.15Å; M24-E111 HydrophobicContact SD-CG 3.96Å; C107-E111 WeakPolarHBondContact O-CA 3.37Å; C107-E111 WeakPolarHBondContact O-CB 3.44Å; C107-E111 PolarHBondContact O-N 2.83Å; E111-K113 VanDerWaalsContact C-N 3.34Å |
| 112 | V | 96.6 | Very high | 98.3 | Very high | 34 Ų | 34 | 45.7 Ų | 45.7 | 21% | 0.206 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -78.8 | -21.8 | 175.9 | -169.4 | 0 | 0 | 0 | 0 | 111.6 | Y22 C107 L108 L114 | Y22-V112 HydrophobicContact CE2-CG2 4.38Å; C107-V112 PolarHBondContact O-N 2.85Å; L108-V112 HydrophobicContact CD2-CG2 4.25Å; V112-L114 HydrophobicContact CB-CG 4.33Å; V112-L114 HydrophobicContact CG1-CD1 4.12Å; V112-L114 HydrophobicContact CG1-CD2 4.25Å; V112-L114 HydrophobicContact CG1-CG 3.85Å |
| 113 | K | 97.6 | Very high | 98.2 | Very high | 173 Ų | 173 | 43.6 Ų | 43.6 | 75% | 0.752 | 22% | 0.218 | S | C | * | . | trans | 62.4 | 44.5 | 176.8 | -56.2 | 177.2 | -176.8 | 177.2 | 0 | 113.7 | L108 L109 K110 E111 | L108-K113 PolarHBondContact O-N 3.48Å; L109-K113 WeakPolarHBondContact O-CA 3.38Å; K110-K113 VanDerWaalsContact O-CG 3.29Å; K110-K113 WeakPolarHBondContact O-CG 3.48Å; E111-K113 VanDerWaalsContact C-N 3.34Å | ||
| 114 | L | 97.7 | Very high | 98.1 | Very high | 36 Ų | 36 | 44 Ų | 44 | 19% | 0.188 | 22% | 0.219 | C | C | . | . | trans | -89 | 144.4 | 174.3 | -60.5 | -179.2 | 0 | 0 | 0 | 112 | T48 L108 L109 V112 I119 | T48-L114 VanDerWaalsContact CB-CD1 3.48Å; T48-L114 HydrophobicContact CG2-CD1 4.2Å; T48-L114 WeakPolarHBondContact OG1-CD1 3.3Å; L108-L114 HydrophobicContact CD2-CD1 4Å; L108-L114 PolarHBondContact O-N 2.85Å; L109-L114 WeakPolarHBondContact CD2-O 3.28Å; V112-L114 HydrophobicContact CB-CG 4.33Å; V112-L114 HydrophobicContact CG1-CD1 4.12Å; V112-L114 HydrophobicContact CG1-CD2 4.25Å; V112-L114 HydrophobicContact CG1-CG 3.85Å; L114-I119 HydrophobicContact CB-CG1 4.49Å | ||
| 115 | D | 97.9 | Very high | 98 | Very high | 98 Ų | 98 | 44.5 Ų | 44.5 | 52% | 0.524 | 22% | 0.222 | S | C | . | . | trans | -67.8 | 142.7 | 163.7 | -61.4 | -55.4 | 0 | 0 | 0 | 110.1 | S117 K118 | D115-S117 PolarHBondContact O-N 2.98Å; D115-K118 HydrophobicContact CB-CG 4.4Å; D115-K118 WeakPolarHBondContact O-CB 3.46Å; D115-K118 PolarHBondContact O-N 2.78Å; D115-K118 IonicContact OD2-NZ 3.88Å | ||
| 116 | V | 98.2 | Very high | 97.9 | Very high | 52 Ų | 52 | 45.3 Ų | 45.3 | 32% | 0.315 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -54.7 | -30.7 | 177.3 | 66.9 | 0 | 0 | 0 | 0 | 113 | M105 L109 K118 I119 H138 V140 | M105-V116 HydrophobicContact CE-CG2 3.77Å; L109-V116 HydrophobicContact CD2-CB 4.32Å; V116-K118 PolarHBondContact O-N 2.92Å; V116-I119 PolarHBondContact O-N 3.21Å; V116-H138 HydrophobicContact CG2-CB 3.96Å; V116-V140 HydrophobicContact CG2-CG1 4.05Å |
| 117 | S | 97.9 | Very high | 97.8 | Very high | 71 Ų | 71 | 42.1 Ų | 42.1 | 50% | 0.497 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -73.3 | -5.6 | 177.8 | 63.4 | 0 | 0 | 0 | 0 | 114.2 | D115 A141 | D115-S117 PolarHBondContact O-N 2.98Å; S117-A141 WeakPolarHBondContact O-CB 3.25Å |
| 118 | K | 98.2 | Very high | 97.8 | Very high | 91 Ų | 91 | 42.1 Ų | 42.1 | 40% | 0.396 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -103.6 | 4.8 | 174.8 | -63.2 | -175.5 | -177.5 | 172.1 | 0 | 112.9 | Y47 T48 D115 V116 | Y47-K118 CarbonylContact C-O 3.54Å; Y47-K118 VanDerWaalsContact CA-O 3.22Å; Y47-K118 WeakPolarHBondContact CA-O 3.34Å; Y47-K118 WeakPolarHBondContact CB-O 3.05Å; Y47-K118 HydrophobicContact CD1-CB 4.47Å; T48-K118 PolarHBondContact N-O 2.77Å; D115-K118 HydrophobicContact CB-CG 4.4Å; D115-K118 WeakPolarHBondContact O-CB 3.46Å; D115-K118 PolarHBondContact O-N 2.78Å; D115-K118 IonicContact OD2-NZ 3.88Å; V116-K118 PolarHBondContact O-N 2.92Å |
| 119 | I | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 133.1 | -178.6 | -59.6 | 174.4 | 0 | 0 | 0 | 109.2 | T48 L50 M105 L108 L109 L114 V116 L121 V140 A141 | T48-I119 WeakPolarHBondContact O-CA 3.5Å; L50-I119 HydrophobicContact CB-CG2 4.21Å; M105-I119 HydrophobicContact CE-CD1 3.71Å; M105-I119 HydrophobicContact SD-CD1 3.85Å; M105-I119 HydrophobicContact SD-CG2 4.44Å; L108-I119 HydrophobicContact CB-CD1 3.83Å; L108-I119 HydrophobicContact CD1-CD1 3.93Å; L108-I119 HydrophobicContact CD1-CG1 4.14Å; L108-I119 HydrophobicContact CD1-CG2 3.93Å; L109-I119 HydrophobicContact CD2-CD1 3.9Å; L114-I119 HydrophobicContact CB-CG1 4.49Å; V116-I119 PolarHBondContact O-N 3.21Å; I119-L121 HydrophobicContact CG2-CD2 3.93Å; I119-V140 HydrophobicContact CB-CG1 4.47Å; I119-V140 HydrophobicContact CG2-CG1 4.49Å; I119-V140 WeakPolarHBondContact O-CB 3.37Å; I119-A141 WeakPolarHBondContact O-CB 3.48Å; I119-A141 PolarHBondContact O-N 3.21Å |
| 120 | I | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 123.7 | 168.8 | -62.8 | 161.9 | 0 | 0 | 0 | 106.9 | Y47 T48 I49 L50 L75 A141 G142 I144 L236 M240 | Y47-I120 HydrophobicContact CD1-CD1 4.43Å; Y47-I120 HydrophobicContact CD1-CG1 4.45Å; Y47-I120 HydrophobicContact CG-CD1 4.13Å; T48-I120 PolarHBondContact O-N 3.04Å; I49-I120 CarbonylContact C-O 3.57Å; I49-I120 VanDerWaalsContact CA-O 3.3Å; I49-I120 WeakPolarHBondContact CA-O 3.35Å; I49-I120 HydrophobicContact CG1-CB 4.31Å; L50-I120 PolarHBondContact N-O 3.3Å; L75-I120 HydrophobicContact CD1-CD1 3.88Å; I120-A141 HydrophobicContact CG1-CB 4.1Å; I120-G142 WeakPolarHBondContact CA-O 3.28Å; I120-I144 HydrophobicContact CG2-CD1 4.21Å; I120-L236 HydrophobicContact CD1-CD2 3.73Å; I120-M240 HydrophobicContact CG1-CE 4.39Å |
| 121 | L | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 129.7 | 175.5 | -56.6 | 177.5 | 0 | 0 | 0 | 108.9 | L50 I119 T131 L134 V140 G142 V143 I144 | L50-L121 HydrophobicContact CB-CD2 3.88Å; L50-L121 HydrophobicContact CD2-CD2 3.83Å; L50-L121 HydrophobicContact CG-CD2 4.23Å; I119-L121 HydrophobicContact CG2-CD2 3.93Å; L121-T131 HydrophobicContact CB-CG2 3.61Å; L121-L134 HydrophobicContact CD1-CB 3.65Å; L121-L134 HydrophobicContact CD2-CB 4.29Å; L121-L134 HydrophobicContact CD2-CD1 4.06Å; L121-V140 HydrophobicContact CD1-CG1 3.98Å; L121-V140 HydrophobicContact CD1-CG2 3.89Å; L121-V140 HydrophobicContact CD2-CG1 4.36Å; L121-V140 HydrophobicContact CG-CB 4.33Å; L121-V140 HydrophobicContact CG-CG1 3.97Å; L121-V140 HydrophobicContact CG-CG2 3.95Å; L121-G142 PolarHBondContact N-O 3.35Å; L121-V143 HydrophobicContact CB-CG2 4.36Å; L121-V143 HydrophobicContact CD1-CG2 4.29Å; L121-V143 CarbonylContact O-C 3.31Å; L121-V143 WeakPolarHBondContact O-CA 3.16Å; L121-I144 PolarHBondContact O-N 2.98Å |
| 122 | W | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 124 | 175.9 | -168.3 | -42.6 | 0 | 0 | 0 | 109.9 | I49 L50 Y51 S52 I69 L73 I144 F228 V232 | I49-W122 HydrophobicContact CD1-CE3 4.21Å; I49-W122 HydrophobicContact CD1-CZ3 4.41Å; I49-W122 HydrophobicContact CG2-CB 3.69Å; I49-W122 HydrophobicContact CG2-CE3 4.31Å; L50-W122 PolarHBondContact O-N 2.79Å; Y51-W122 CarbonylContact C-O 3.48Å; Y51-W122 WeakPolarHBondContact CA-O 3.38Å; Y51-W122 HydrophobicContact CD2-CB 4.01Å; Y51-W122 AromaticContact CD2-CD1 3.82Å; Y51-W122 AromaticContact CD2-CG 3.89Å; Y51-W122 HydrophobicContact CD2-CG 3.89Å; Y51-W122 AromaticContact CE2-CD1 3.6Å; Y51-W122 HydrophobicContact CE2-CG 4.12Å; Y51-W122 AromaticContact CE2-NE1 3.95Å; S52-W122 PolarHBondContact N-O 2.96Å; I69-W122 HydrophobicContact CG2-CE3 4.31Å; I69-W122 HydrophobicContact CG2-CH2 4.41Å; I69-W122 HydrophobicContact CG2-CZ3 3.99Å; L73-W122 HydrophobicContact CD1-CH2 4.3Å; L73-W122 HydrophobicContact CD1-CZ3 3.68Å; W122-I144 WeakPolarHBondContact CA-O 3.23Å; W122-I144 HydrophobicContact CB-CB 4.4Å; W122-I144 HydrophobicContact CD2-CB 3.99Å; W122-I144 HydrophobicContact CD2-CD1 4.01Å; W122-I144 HydrophobicContact CD2-CG2 3.9Å; W122-I144 HydrophobicContact CE3-CB 4.33Å; W122-I144 HydrophobicContact CE3-CD1 3.45Å; W122-I144 VanDerWaalsContact CE3-CD1 3.45Å; W122-I144 HydrophobicContact CE3-CG1 4.45Å; W122-I144 HydrophobicContact CE3-CG2 4.4Å; W122-I144 HydrophobicContact CG-CB 4.02Å; W122-I144 HydrophobicContact CG-CG2 4.2Å; W122-I144 HydrophobicContact CH2-CD1 4.36Å; W122-I144 HydrophobicContact CZ2-CG2 4.2Å; W122-I144 HydrophobicContact CZ3-CD1 3.65Å; W122-F228 HydrophobicContact CH2-CZ 4.4Å; W122-F228 HydrophobicContact CZ2-CE1 4.21Å; W122-F228 AromaticContact CZ2-CZ 3.7Å; W122-F228 HydrophobicContact CZ2-CZ 3.7Å; W122-V232 HydrophobicContact CH2-CB 4.43Å; W122-V232 HydrophobicContact CH2-CG1 3.81Å; W122-V232 HydrophobicContact CH2-CG2 3.77Å; W122-V232 HydrophobicContact CZ2-CG2 4.28Å; W122-V232 HydrophobicContact CZ3-CG1 3.85Å |
| 123 | G | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 137.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | S52 T128 T131 I144 Q146 | S52-G123 WeakPolarHBondContact O-CA 3.36Å; G123-T128 VanDerWaalsContact O-CG2 3.28Å; G123-T128 WeakPolarHBondContact O-CG2 3.23Å; G123-T131 WeakPolarHBondContact CA-OG1 3.31Å; G123-T131 PolarHBondContact N-OG1 3.45Å; G123-I144 PolarHBondContact N-O 3.17Å; G123-Q146 PolarHBondContact O-N 3.22Å |
| 124 | M | 96.5 | Very high | 98 | Very high | 16 Ų | 16 | 20.2 Ų | 20.2 | 8% | 0.079 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 129 | 172.3 | -175.1 | -120.2 | -174.9 | 0 | 0 | 110.3 | S52 L126 G127 Q146 D220 | S52-M124 PolarHBondContact O-N 2.83Å; M124-L126 PolarHBondContact O-N 2.77Å; M124-L126 VanDerWaalsContact O-N 3.13Å; M124-G127 WeakPolarHBondContact O-CA 3.47Å; M124-G127 PolarHBondContact O-N 3.19Å; M124-Q146 WeakPolarHBondContact CA-O 3.34Å; M124-Q146 HydrophobicContact CB-CB 4.47Å; M124-Q146 HydrophobicContact CG-CG 4.16Å; M124-D220 VanDerWaalsContact CE-OD1 3.29Å; M124-D220 WeakPolarHBondContact CE-OD1 3.48Å |
| 125 | S | 96 | Very high | 98 | Very high | 9 Ų | 9 | 18.6 Ų | 18.6 | 6% | 0.063 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | 50.8 | -116.7 | 173.9 | -171 | 0 | 0 | 0 | 0 | 112.5 | G127 T128 Q146 H219 | S125-G127 PolarHBondContact O-N 2.75Å; S125-T128 WeakPolarHBondContact O-CB 3.2Å; S125-T128 WeakPolarHBondContact O-CG2 3.31Å; S125-T128 PolarHBondContact O-N 2.8Å; S125-T128 VanDerWaalsContact O-N 3.07Å; S125-T128 PolarHBondContact O-OG1 3.28Å; S125-Q146 PolarHBondContact N-O 3.12Å; S125-H219 WeakPolarHBondContact CB-NE2 3.42Å; S125-H219 PolarHBondContact OG-CE1 2.88Å; S125-H219 PolarHBondContact OG-NE2 2.8Å |
| 126 | L | 96 | Very high | 98 | Very high | 20 Ų | 20 | 15.3 Ų | 15.3 | 11% | 0.105 | 9% | 0.089 | C | C | . | . | G | 310 helix | trans | -52.1 | -36.9 | 174.2 | -176.1 | 63.8 | 0 | 0 | 0 | 113.3 | N55 Y82 Y85 L97 M124 T128 V129 F169 | N55-L126 HydrophobicContact CB-CB 4.04Å; N55-L126 HydrophobicContact CB-CD2 3.89Å; Y82-L126 HydrophobicContact CE2-CD2 4.5Å; Y85-L126 WeakPolarHBondContact OH-CD2 3.11Å; L97-L126 HydrophobicContact CD1-CD1 4.07Å; L97-L126 HydrophobicContact CD1-CD2 4.16Å; L97-L126 HydrophobicContact CD1-CG 3.78Å; M124-L126 PolarHBondContact O-N 2.77Å; M124-L126 VanDerWaalsContact O-N 3.13Å; L126-T128 PolarHBondContact O-N 3.18Å; L126-T128 VanDerWaalsContact O-N 3.17Å; L126-V129 HydrophobicContact CD1-CG2 4.46Å; L126-V129 WeakPolarHBondContact O-CB 3.1Å; L126-V129 WeakPolarHBondContact O-CG2 3.43Å; L126-V129 PolarHBondContact O-N 3.04Å; L126-F169 HydrophobicContact CD1-CD1 3.91Å; L126-F169 HydrophobicContact CD1-CE1 3.77Å; L126-F169 HydrophobicContact CD1-CZ 4.45Å |
| 127 | G | 97.5 | Very high | 98 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | G | 310 helix | trans | -60.5 | -25.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | S52 Q53 Y82 M124 S125 V129 G130 T131 | S52-G127 WeakPolarHBondContact CB-O 3.37Å; S52-G127 WeakPolarHBondContact O-CA 3.42Å; Q53-G127 VanDerWaalsContact O-CA 3.28Å; Q53-G127 WeakPolarHBondContact O-CA 3.28Å; Q53-G127 PolarHBondContact O-N 2.84Å; Q53-G127 VanDerWaalsContact O-N 3.15Å; Y82-G127 WeakPolarHBondContact OH-CA 3.35Å; M124-G127 WeakPolarHBondContact O-CA 3.47Å; M124-G127 PolarHBondContact O-N 3.19Å; S125-G127 PolarHBondContact O-N 2.75Å; G127-V129 PolarHBondContact O-N 3.12Å; G127-G130 PolarHBondContact O-N 2.63Å; G127-T131 PolarHBondContact O-N 3.06Å; G127-T131 PolarHBondContact O-OG1 3.27Å |
| 128 | T | 98 | Very high | 98 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -58.2 | -20.9 | 174.4 | 64 | 0 | 0 | 0 | 0 | 113.2 | G123 S125 L126 T132 L145 N171 | G123-T128 VanDerWaalsContact O-CG2 3.28Å; G123-T128 WeakPolarHBondContact O-CG2 3.23Å; S125-T128 WeakPolarHBondContact O-CB 3.2Å; S125-T128 WeakPolarHBondContact O-CG2 3.31Å; S125-T128 PolarHBondContact O-N 2.8Å; S125-T128 VanDerWaalsContact O-N 3.07Å; S125-T128 PolarHBondContact O-OG1 3.28Å; L126-T128 PolarHBondContact O-N 3.18Å; L126-T128 VanDerWaalsContact O-N 3.17Å; T128-T132 WeakPolarHBondContact O-CB 3.4Å; T128-T132 VanDerWaalsContact O-CG2 3.23Å; T128-T132 WeakPolarHBondContact O-CG2 3.41Å; T128-T132 PolarHBondContact O-N 3.4Å; T128-T132 PolarHBondContact O-OG1 2.85Å; T128-L145 HydrophobicContact CG2-CB 4.38Å; T128-L145 HydrophobicContact CG2-CD2 4.21Å; T128-N171 PolarHBondContact O-OD1 2.86Å; T128-N171 PolarHBondContact OG1-ND2 3.36Å |
| 129 | V | 97.9 | Very high | 98 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -67.7 | -44.7 | 173.4 | -178.5 | 0 | 0 | 0 | 0 | 111.8 | E94 L97 L126 G127 T132 H133 F149 F169 N171 | E94-V129 HydrophobicContact CG-CG1 4.25Å; L97-V129 HydrophobicContact CD1-CB 4.49Å; L97-V129 HydrophobicContact CD2-CB 4.11Å; L97-V129 HydrophobicContact CD2-CG1 4.19Å; L126-V129 HydrophobicContact CD1-CG2 4.46Å; L126-V129 WeakPolarHBondContact O-CB 3.1Å; L126-V129 WeakPolarHBondContact O-CG2 3.43Å; L126-V129 PolarHBondContact O-N 3.04Å; G127-V129 PolarHBondContact O-N 3.12Å; V129-T132 PolarHBondContact O-OG1 2.81Å; V129-H133 WeakPolarHBondContact O-CB 3.17Å; V129-H133 PolarHBondContact O-N 3.16Å; V129-H133 VanDerWaalsContact O-N 3.1Å; V129-F149 HydrophobicContact CG2-CE1 4.24Å; V129-F149 HydrophobicContact CG2-CZ 3.7Å; V129-F169 HydrophobicContact CB-CD1 4.32Å; V129-F169 HydrophobicContact CG1-CD1 3.99Å; V129-F169 HydrophobicContact CG2-CB 3.79Å; V129-F169 HydrophobicContact CG2-CD1 3.8Å; V129-F169 HydrophobicContact CG2-CG 4.25Å; V129-N171 WeakPolarHBondContact CA-OD1 3.18Å; V129-N171 WeakPolarHBondContact CG2-OD1 3.45Å; V129-N171 PolarHBondContact N-OD1 3.22Å |
| 130 | G | 98.2 | Very high | 98 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -68 | -43.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | L97 G127 H133 L134 | L97-G130 VanDerWaalsContact CD2-CA 3.48Å; L97-G130 VanDerWaalsContact CD2-N 3.27Å; G127-G130 PolarHBondContact O-N 2.63Å; G130-H133 WeakPolarHBondContact O-CB 3.3Å; G130-H133 PolarHBondContact O-N 2.97Å; G130-L134 WeakPolarHBondContact O-CG 3.34Å; G130-L134 PolarHBondContact O-N 2.88Å |
| 131 | T | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.006 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.4 | -47.4 | -179.8 | -45.9 | 0 | 0 | 0 | 0 | 112.3 | S52 L121 G123 G127 L134 G135 V143 L145 | S52-T131 PolarHBondContact OG-OG1 2.9Å; L121-T131 HydrophobicContact CB-CG2 3.61Å; G123-T131 WeakPolarHBondContact CA-OG1 3.31Å; G123-T131 PolarHBondContact N-OG1 3.45Å; G127-T131 PolarHBondContact O-N 3.06Å; G127-T131 PolarHBondContact O-OG1 3.27Å; T131-L134 PolarHBondContact O-N 3.43Å; T131-G135 PolarHBondContact O-N 2.92Å; T131-V143 HydrophobicContact CG2-CG1 3.83Å; T131-L145 HydrophobicContact CG2-CD2 3.79Å |
| 132 | T | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -70.4 | -32.6 | 177.7 | 58.9 | 0 | 0 | 0 | 0 | 112.2 | T128 V129 A136 L145 N171 I178 | T128-T132 WeakPolarHBondContact O-CB 3.4Å; T128-T132 VanDerWaalsContact O-CG2 3.23Å; T128-T132 WeakPolarHBondContact O-CG2 3.41Å; T128-T132 PolarHBondContact O-N 3.4Å; T128-T132 PolarHBondContact O-OG1 2.85Å; V129-T132 PolarHBondContact O-OG1 2.81Å; T132-A136 VanDerWaalsContact O-CB 3.25Å; T132-A136 WeakPolarHBondContact O-CB 3.44Å; T132-A136 PolarHBondContact O-N 2.95Å; T132-L145 HydrophobicContact CG2-CD1 3.91Å; T132-L145 HydrophobicContact CG2-CD2 3.89Å; T132-N171 HydrophobicContact CG2-CB 4.45Å; T132-N171 PolarHBondContact OG1-OD1 2.87Å; T132-I178 HydrophobicContact CG2-CD1 4.01Å |
| 133 | H | 98.4 | Very high | 98 | Very high | 29 Ų | 29 | 21.5 Ų | 21.5 | 13% | 0.134 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61 | -46.8 | 172.3 | 169.8 | 84.6 | 0 | 0 | 0 | 111.7 | D102 V129 G130 K137 | D102-H133 VanDerWaalsContact CG-NE2 3.32Å; D102-H133 IonicContact OD1-CD2 3.79Å; D102-H133 IonicContact OD1-NE2 3.63Å; D102-H133 PolarHBondContact OD1-NE2 3.36Å; D102-H133 IonicContact OD2-CE1 3.29Å; D102-H133 IonicContact OD2-NE2 3.49Å; D102-H133 PolarHBondContact OD2-NE2 3.49Å; V129-H133 WeakPolarHBondContact O-CB 3.17Å; V129-H133 PolarHBondContact O-N 3.16Å; V129-H133 VanDerWaalsContact O-N 3.1Å; G130-H133 WeakPolarHBondContact O-CB 3.3Å; G130-H133 PolarHBondContact O-N 2.97Å; H133-K137 WeakPolarHBondContact CE1-CE 3.2Å; H133-K137 PolarHBondContact CE1-NZ 2.94Å; H133-K137 VanDerWaalsContact CE1-NZ 3.25Å; H133-K137 WeakPolarHBondContact NE2-CE 3.49Å; H133-K137 PolarHBondContact NE2-NZ 3.12Å; H133-K137 WeakPolarHBondContact O-CG 3.08Å |
| 134 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -68.4 | -44.9 | 176.2 | -70.1 | 177.9 | 0 | 0 | 0 | 112.1 | L50 A101 M105 L121 G130 T131 A136 K137 H138 | L50-L134 HydrophobicContact CD2-CD1 3.49Å; L50-L134 VanDerWaalsContact CD2-CD1 3.49Å; L50-L134 HydrophobicContact CG-CD1 4.48Å; A101-L134 HydrophobicContact CB-CD1 3.86Å; A101-L134 HydrophobicContact CB-CD2 4.33Å; A101-L134 HydrophobicContact CB-CG 3.93Å; M105-L134 HydrophobicContact CB-CD1 4.3Å; M105-L134 HydrophobicContact CB-CD2 3.81Å; M105-L134 HydrophobicContact CG-CD2 4.19Å; L121-L134 HydrophobicContact CD1-CB 3.65Å; L121-L134 HydrophobicContact CD2-CB 4.29Å; L121-L134 HydrophobicContact CD2-CD1 4.06Å; G130-L134 WeakPolarHBondContact O-CG 3.34Å; G130-L134 PolarHBondContact O-N 2.88Å; T131-L134 PolarHBondContact O-N 3.43Å; L134-A136 PolarHBondContact O-N 3.4Å; L134-K137 PolarHBondContact O-N 2.9Å; L134-H138 PolarHBondContact O-CD2 3.23Å; L134-H138 PolarHBondContact O-N 2.66Å |
| 135 | G | 98.5 | Very high | 98.1 | Very high | 3 Ų | 3 | 20.8 Ų | 20.8 | 3% | 0.031 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.6 | -27.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | T131 K137 | T131-G135 PolarHBondContact O-N 2.92Å; G135-K137 VanDerWaalsContact C-N 3.31Å |
| 136 | A | 98.2 | Very high | 98.2 | Very high | 29 Ų | 29 | 20.4 Ų | 20.4 | 24% | 0.24 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -20.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | T132 L134 K177 | T132-A136 VanDerWaalsContact O-CB 3.25Å; T132-A136 WeakPolarHBondContact O-CB 3.44Å; T132-A136 PolarHBondContact O-N 2.95Å; L134-A136 PolarHBondContact O-N 3.4Å; A136-K177 HydrophobicContact CB-CB 3.77Å; A136-K177 HydrophobicContact CB-CD 4.34Å |
| 137 | K | 98.1 | Very high | 98.2 | Very high | 111 Ų | 111 | 19.4 Ų | 19.4 | 48% | 0.483 | 10% | 0.095 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -31.3 | -179.4 | -69.4 | 178.8 | 178.2 | -174.3 | 0 | 113.1 | D102 H133 L134 G135 | D102-K137 IonicContact OD1-NZ 3.16Å; D102-K137 PolarHBondContact OD1-NZ 3.09Å; D102-K137 IonicContact OD2-NZ 3.39Å; D102-K137 PolarHBondContact OD2-NZ 3.09Å; H133-K137 WeakPolarHBondContact CE1-CE 3.2Å; H133-K137 PolarHBondContact CE1-NZ 2.94Å; H133-K137 VanDerWaalsContact CE1-NZ 3.25Å; H133-K137 WeakPolarHBondContact NE2-CE 3.49Å; H133-K137 PolarHBondContact NE2-NZ 3.12Å; H133-K137 WeakPolarHBondContact O-CG 3.08Å; L134-K137 PolarHBondContact O-N 2.9Å; G135-K137 VanDerWaalsContact C-N 3.31Å |
| 138 | H | 98.2 | Very high | 98.2 | Very high | 51 Ų | 51 | 19.4 Ų | 19.4 | 24% | 0.236 | 10% | 0.095 | C | C | . | . | trans | -125.9 | 133.7 | -169.3 | -59.4 | -79.1 | 0 | 0 | 0 | 112 | M105 V116 L134 V140 | M105-H138 HydrophobicContact CE-CB 4.02Å; V116-H138 HydrophobicContact CG2-CB 3.96Å; L134-H138 PolarHBondContact O-CD2 3.23Å; L134-H138 PolarHBondContact O-N 2.66Å; H138-V140 HydrophobicContact CB-CG1 3.95Å; H138-V140 PolarHBondContact O-N 2.97Å; H138-V140 VanDerWaalsContact O-N 3.11Å | ||
| 139 | K | 97.8 | Very high | 98 | Very high | 160 Ų | 160 | 20 Ų | 20 | 70% | 0.696 | 10% | 0.098 | S | C | * | . | trans | -83.5 | 82.4 | 169.7 | -168 | 177 | -178.5 | -179.7 | 0 | 110 | ||||
| 140 | V | 98.6 | Very high | 97.8 | Very high | 7 Ų | 7 | 20.1 Ų | 20.1 | 4% | 0.042 | 10% | 0.099 | C | C | . | . | trans | -79.9 | 173.2 | 179.2 | -66 | 0 | 0 | 0 | 0 | 112.8 | M105 V116 I119 L121 H138 G142 V143 S180 | M105-V140 HydrophobicContact CE-CG1 4.26Å; V116-V140 HydrophobicContact CG2-CG1 4.05Å; I119-V140 HydrophobicContact CB-CG1 4.47Å; I119-V140 HydrophobicContact CG2-CG1 4.49Å; I119-V140 WeakPolarHBondContact O-CB 3.37Å; L121-V140 HydrophobicContact CD1-CG1 3.98Å; L121-V140 HydrophobicContact CD1-CG2 3.89Å; L121-V140 HydrophobicContact CD2-CG1 4.36Å; L121-V140 HydrophobicContact CG-CB 4.33Å; L121-V140 HydrophobicContact CG-CG1 3.97Å; L121-V140 HydrophobicContact CG-CG2 3.95Å; H138-V140 HydrophobicContact CB-CG1 3.95Å; H138-V140 PolarHBondContact O-N 2.97Å; H138-V140 VanDerWaalsContact O-N 3.11Å; V140-G142 VanDerWaalsContact C-N 3.34Å; V140-G142 WeakPolarHBondContact CG2-O 3.21Å; V140-G142 PolarHBondContact O-N 2.98Å; V140-V143 HydrophobicContact CG2-CG2 3.74Å; V140-S180 PolarHBondContact N-OG 3.07Å; V140-S180 PolarHBondContact O-OG 3.07Å | ||
| 141 | A | 98.5 | Very high | 97.5 | Very high | 16 Ų | 16 | 20.1 Ų | 20.1 | 13% | 0.132 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -60.3 | -45.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y47 S117 I119 I120 M240 | Y47-A141 HydrophobicContact CD1-CB 3.81Å; Y47-A141 HydrophobicContact CE1-CB 3.73Å; S117-A141 WeakPolarHBondContact O-CB 3.25Å; I119-A141 WeakPolarHBondContact O-CB 3.48Å; I119-A141 PolarHBondContact O-N 3.21Å; I120-A141 HydrophobicContact CG1-CB 4.1Å; A141-M240 VanDerWaalsContact C-CE 3.42Å; A141-M240 HydrophobicContact CB-CE 4.25Å; A141-M240 HydrophobicContact CB-CG 4.3Å; A141-M240 WeakPolarHBondContact O-CE 3.41Å |
| 142 | G | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.1 | 170.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I120 L121 V140 P181 M240 | I120-G142 WeakPolarHBondContact CA-O 3.28Å; L121-G142 PolarHBondContact N-O 3.35Å; V140-G142 VanDerWaalsContact C-N 3.34Å; V140-G142 WeakPolarHBondContact CG2-O 3.21Å; V140-G142 PolarHBondContact O-N 2.98Å; G142-P181 CarbonylContact C-O 3.56Å; G142-P181 WeakPolarHBondContact CA-O 3.48Å; G142-M240 VanDerWaalsContact CA-CE 3.46Å |
| 143 | V | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 131.3 | -179.3 | -177.7 | 0 | 0 | 0 | 0 | 109 | L121 T131 V140 L145 I178 P181 T182 L183 | L121-V143 HydrophobicContact CB-CG2 4.36Å; L121-V143 HydrophobicContact CD1-CG2 4.29Å; L121-V143 CarbonylContact O-C 3.31Å; L121-V143 WeakPolarHBondContact O-CA 3.16Å; T131-V143 HydrophobicContact CG2-CG1 3.83Å; V140-V143 HydrophobicContact CG2-CG2 3.74Å; V143-L145 HydrophobicContact CG1-CD2 3.82Å; V143-L145 HydrophobicContact CG1-CG 4.05Å; V143-I178 HydrophobicContact CG2-CG2 4Å; V143-P181 PolarHBondContact N-O 3.09Å; V143-T182 HydrophobicContact CB-CG2 4.06Å; V143-T182 HydrophobicContact CG1-CG2 4.18Å; V143-T182 CarbonylContact O-C 3.59Å; V143-T182 VanDerWaalsContact O-CA 3.25Å; V143-T182 WeakPolarHBondContact O-CA 3.28Å; V143-L183 PolarHBondContact O-N 2.82Å |
| 144 | I | 98.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 119.5 | 174.4 | -57.3 | 171.4 | 0 | 0 | 0 | 107.7 | I120 L121 W122 G123 L183 L185 V232 F235 | I120-I144 HydrophobicContact CG2-CD1 4.21Å; L121-I144 PolarHBondContact O-N 2.98Å; W122-I144 WeakPolarHBondContact CA-O 3.23Å; W122-I144 HydrophobicContact CB-CB 4.4Å; W122-I144 HydrophobicContact CD2-CB 3.99Å; W122-I144 HydrophobicContact CD2-CD1 4.01Å; W122-I144 HydrophobicContact CD2-CG2 3.9Å; W122-I144 HydrophobicContact CE3-CB 4.33Å; W122-I144 HydrophobicContact CE3-CD1 3.45Å; W122-I144 VanDerWaalsContact CE3-CD1 3.45Å; W122-I144 HydrophobicContact CE3-CG1 4.45Å; W122-I144 HydrophobicContact CE3-CG2 4.4Å; W122-I144 HydrophobicContact CG-CB 4.02Å; W122-I144 HydrophobicContact CG-CG2 4.2Å; W122-I144 HydrophobicContact CH2-CD1 4.36Å; W122-I144 HydrophobicContact CZ2-CG2 4.2Å; W122-I144 HydrophobicContact CZ3-CD1 3.65Å; G123-I144 PolarHBondContact N-O 3.17Å; I144-L183 WeakPolarHBondContact CA-O 2.92Å; I144-L183 HydrophobicContact CG1-CB 4.31Å; I144-L183 HydrophobicContact CG2-CD2 4.37Å; I144-L185 HydrophobicContact CG2-CD1 3.84Å; I144-V232 HydrophobicContact CD1-CG1 4.26Å; I144-F235 HydrophobicContact CD1-CD1 4.21Å; I144-F235 HydrophobicContact CD1-CE1 4.25Å; I144-F235 HydrophobicContact CG1-CD1 4.07Å; I144-F235 HydrophobicContact CG1-CE1 3.79Å |
| 145 | L | 98.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 111.5 | 177.5 | -57.4 | -178.8 | 0 | 0 | 0 | 108.7 | T128 T131 T132 V143 T182 L183 I184 L185 M201 | T128-L145 HydrophobicContact CG2-CB 4.38Å; T128-L145 HydrophobicContact CG2-CD2 4.21Å; T131-L145 HydrophobicContact CG2-CD2 3.79Å; T132-L145 HydrophobicContact CG2-CD1 3.91Å; T132-L145 HydrophobicContact CG2-CD2 3.89Å; V143-L145 HydrophobicContact CG1-CD2 3.82Å; V143-L145 HydrophobicContact CG1-CG 4.05Å; L145-T182 HydrophobicContact CD1-CG2 4.26Å; L145-T182 HydrophobicContact CG-CG2 4.38Å; L145-L183 PolarHBondContact N-O 2.8Å; L145-I184 HydrophobicContact CB-CG1 4.32Å; L145-I184 HydrophobicContact CD1-CG1 4.27Å; L145-I184 WeakPolarHBondContact O-CA 3.43Å; L145-L185 PolarHBondContact O-N 3.21Å; L145-M201 HydrophobicContact CD1-CG 4.26Å |
| 146 | Q | 97.8 | Very high | 93.7 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 125.7 | -179.4 | 177.3 | -178.7 | -25.9 | 0 | 0 | 110.2 | G123 M124 S125 S148 L222 F228 | G123-Q146 PolarHBondContact O-N 3.22Å; M124-Q146 WeakPolarHBondContact CA-O 3.34Å; M124-Q146 HydrophobicContact CB-CB 4.47Å; M124-Q146 HydrophobicContact CG-CG 4.16Å; S125-Q146 PolarHBondContact N-O 3.12Å; Q146-S148 PolarHBondContact O-N 3.42Å; Q146-L222 HydrophobicContact CG-CD2 3.99Å; Q146-F228 HydrophobicContact CG-CE2 4.16Å |
| 147 | S | 96.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 51 | 42.5 | -179.8 | -50.4 | 0 | 0 | 0 | 0 | 112.3 | L185 H219 L222 | S147-L185 PolarHBondContact N-O 3.32Å; S147-H219 VanDerWaalsContact CB-CE1 3.47Å; S147-H219 WeakPolarHBondContact CB-CE1 3.4Å; S147-H219 PolarHBondContact OG-O 3.46Å; S147-H219 VanDerWaalsContact OG-O 3.09Å; S147-L222 WeakPolarHBondContact OG-CD1 3.46Å |
| 148 | S | 95.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -72.1 | 144.1 | -174.1 | 71.5 | 0 | 0 | 0 | 0 | 112.2 | Q146 | Q146-S148 PolarHBondContact O-N 3.42Š| ||
| 149 | F | 94.3 | Very high | 90.9 | Very high | 11 Ų | 11 | 45.6 Ų | 45.6 | 5% | 0.048 | 22% | 0.215 | C | C | . | . | trans | -113.2 | 159.7 | 172.8 | 66.2 | -81.8 | 0 | 0 | 0 | 111.7 | V129 F169 N171 F193 H197 M201 | V129-F149 HydrophobicContact CG2-CE1 4.24Å; V129-F149 HydrophobicContact CG2-CZ 3.7Å; F149-F169 HydrophobicContact CE2-CB 3.7Å; F149-F169 HydrophobicContact CZ-CB 3.86Å; F149-F169 HydrophobicContact CZ-CG 4.5Å; F149-N171 WeakPolarHBondContact O-CB 3.29Å; F149-N171 PolarHBondContact O-ND2 2.89Å; F149-F193 HydrophobicContact CB-CD1 3.48Å; F149-F193 VanDerWaalsContact CB-CD1 3.48Å; F149-F193 HydrophobicContact CB-CD2 3.98Å; F149-F193 HydrophobicContact CB-CE1 3.39Å; F149-F193 HydrophobicContact CB-CE2 3.91Å; F149-F193 HydrophobicContact CB-CG 3.79Å; F149-F193 HydrophobicContact CB-CZ 3.62Å; F149-F193 HydrophobicContact CD1-CE1 4.28Å; F149-F193 AromaticContact CD1-CE2 3.9Å; F149-F193 HydrophobicContact CD1-CE2 3.9Å; F149-F193 AromaticContact CD1-CZ 3.68Å; F149-F193 HydrophobicContact CD1-CZ 3.68Å; F149-F193 HydrophobicContact CD2-CE1 4.45Å; F149-F193 HydrophobicContact CG-CD1 4.39Å; F149-F193 AromaticContact CG-CE1 3.81Å; F149-F193 HydrophobicContact CG-CE1 3.81Å; F149-F193 HydrophobicContact CG-CE2 4.19Å; F149-F193 AromaticContact CG-CZ 3.7Å; F149-F193 HydrophobicContact CG-CZ 3.7Å; F149-H197 WeakPolarHBondContact CA-ND1 3.41Å; F149-M201 WeakPolarHBondContact O-CE 3.48Å | ||
| 150 | L | 93.9 | Very high | 89.9 | Confident | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -75.8 | -53.6 | -177 | -62.7 | 168.9 | 0 | 0 | 0 | 112 | R154 C170 N171 Y172 H197 I200 M201 | L150-R154 HydrophobicContact CB-CB 4.11Å; L150-C170 CarbonylContact O-C 3.33Å; L150-N171 PolarHBondContact O-N 2.94Å; L150-Y172 HydrophobicContact CB-CD1 4.18Å; L150-Y172 WeakPolarHBondContact O-CD1 3.47Å; L150-Y172 PolarHBondContact O-N 3.29Å; L150-H197 HydrophobicContact CG-CB 4.35Å; L150-H197 PolarHBondContact N-ND1 3.38Å; L150-H197 VanDerWaalsContact N-ND1 3.19Å; L150-I200 HydrophobicContact CD1-CB 3.96Å; L150-I200 HydrophobicContact CD1-CD1 3.81Å; L150-I200 HydrophobicContact CD1-CG1 4.5Å; L150-I200 HydrophobicContact CD1-CG2 3.83Å; L150-I200 HydrophobicContact CD2-CB 3.91Å; L150-I200 HydrophobicContact CD2-CG2 3.61Å; L150-I200 HydrophobicContact CG-CG2 4.4Å; L150-M201 HydrophobicContact CD2-CB 4.33Å; L150-M201 HydrophobicContact CD2-CE 3.94Å |
| 151 | S | 92.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -166.9 | 169.3 | 178.1 | 66 | 0 | 0 | 0 | 0 | 111.2 | Y153 R154 Y155 D167 F169 | S151-Y153 VanDerWaalsContact C-N 3.32Å; S151-Y153 PolarHBondContact O-N 2.98Å; S151-R154 PolarHBondContact O-N 2.79Å; S151-R154 PolarHBondContact OG-N 2.96Å; S151-Y155 PolarHBondContact O-N 3.3Å; S151-D167 VanDerWaalsContact CB-CG 3.49Å; S151-D167 WeakPolarHBondContact CB-OD1 3.5Å; S151-D167 WeakPolarHBondContact CB-OD2 3.48Å; S151-D167 PolarHBondContact OG-OD1 2.99Å; S151-D167 VanDerWaalsContact OG-OD1 3.07Å; S151-D167 PolarHBondContact OG-OD2 3.25Å; S151-F169 WeakPolarHBondContact CA-O 3.45Å | ||
| 152 | S | 85.2 | Confident | 87.8 | Confident | 29 Ų | 29 | 55.1 Ų | 55.1 | 20% | 0.203 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.6 | -39.6 | 175.7 | -71.5 | 0 | 0 | 0 | 0 | 112.8 | Y155 C156 T168 F169 | S152-Y155 WeakPolarHBondContact O-CB 3.38Å; S152-Y155 PolarHBondContact O-N 2.72Å; S152-C156 PolarHBondContact O-N 3.4Å; S152-C156 PolarHBondContact O-SG 2.93Å; S152-T168 WeakPolarHBondContact CB-OG1 3.28Å; S152-T168 PolarHBondContact N-O 2.85Å; S152-T168 PolarHBondContact OG-OG1 3.03Å; S152-F169 WeakPolarHBondContact OG-CD2 3.43Å |
| 153 | Y | 82.3 | Confident | 86.8 | Confident | 67 Ų | 67 | 58.6 Ų | 58.6 | 26% | 0.263 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -74 | -34.5 | -178 | -75.5 | 20.6 | 0 | 0 | 0 | 111.4 | S151 Y155 C156 W157 I164 D167 | S151-Y153 VanDerWaalsContact C-N 3.32Å; S151-Y153 PolarHBondContact O-N 2.98Å; Y153-Y155 VanDerWaalsContact C-N 3.27Å; Y153-Y155 PolarHBondContact O-N 3.01Å; Y153-C156 PolarHBondContact O-N 3.1Å; Y153-W157 HydrophobicContact CG-CZ3 4.45Å; Y153-W157 WeakPolarHBondContact O-CA 3.08Å; Y153-W157 WeakPolarHBondContact O-CB 3.42Å; Y153-W157 PolarHBondContact O-N 2.62Å; Y153-I164 HydrophobicContact CD2-CB 3.87Å; Y153-I164 HydrophobicContact CD2-CD1 4.04Å; Y153-I164 HydrophobicContact CD2-CG1 4.49Å; Y153-I164 HydrophobicContact CD2-CG2 3.92Å; Y153-I164 HydrophobicContact CE2-CB 4.15Å; Y153-I164 HydrophobicContact CE2-CG2 3.71Å; Y153-D167 VanDerWaalsContact CB-OD1 3.26Å; Y153-D167 WeakPolarHBondContact CB-OD1 3.46Å; Y153-D167 HydrophobicContact CD2-CB 4.17Å; Y153-D167 HydrophobicContact CG-CB 4.15Å; Y153-D167 PolarHBondContact N-OD1 3.05Å |
| 154 | R | 83.9 | Confident | 85.5 | Confident | 24 Ų | 24 | 61.4 Ų | 61.4 | 9% | 0.091 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -73.2 | -22.2 | 174.9 | -74.5 | 178 | 171.3 | 86.2 | -12.9 | 112.6 | L150 S151 W157 P158 L160 D163 D167 Y172 | L150-R154 HydrophobicContact CB-CB 4.11Å; S151-R154 PolarHBondContact O-N 2.79Å; S151-R154 PolarHBondContact OG-N 2.96Å; R154-W157 CarbonylContact O-C 3.5Å; R154-P158 VanDerWaalsContact O-CA 3.26Å; R154-P158 WeakPolarHBondContact O-CA 3.35Å; R154-L160 HydrophobicContact CG-CB 4.34Å; R154-L160 HydrophobicContact CG-CD2 4.25Å; R154-D163 IonicContact CZ-OD1 2.7Å; R154-D163 IonicContact NH1-OD1 3.34Å; R154-D163 IonicContact NH2-OD1 2.81Å; R154-D163 PolarHBondContact NH2-OD1 3.25Å; R154-D167 IonicContact NH1-OD2 3.01Å; R154-Y172 PolarHBondContact NH1-OH 2.96Å |
| 155 | Y | 80.6 | Confident | 84.1 | Confident | 115 Ų | 115 | 66 Ų | 66 | 45% | 0.451 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.4 | -54.1 | 164.4 | 166.5 | -112.5 | 0 | 0 | 0 | 111.5 | S151 S152 Y153 W157 M192 F193 | S151-Y155 PolarHBondContact O-N 3.3Å; S152-Y155 WeakPolarHBondContact O-CB 3.38Å; S152-Y155 PolarHBondContact O-N 2.72Å; Y153-Y155 VanDerWaalsContact C-N 3.27Å; Y153-Y155 PolarHBondContact O-N 3.01Å; Y155-W157 VanDerWaalsContact C-N 3.34Å; Y155-W157 PolarHBondContact O-N 3.14Å; Y155-M192 HydrophobicContact CE2-CG 4.07Å; Y155-M192 WeakPolarHBondContact CE2-O 3.33Å; Y155-F193 AromaticContact CD2-CD1 3.7Å; Y155-F193 HydrophobicContact CD2-CD1 3.7Å; Y155-F193 AromaticContact CD2-CE1 3.33Å; Y155-F193 HydrophobicContact CD2-CE1 3.33Å; Y155-F193 HydrophobicContact CD2-CZ 4.39Å; Y155-F193 HydrophobicContact CE2-CD1 4.39Å; Y155-F193 AromaticContact CE2-CE1 3.98Å; Y155-F193 HydrophobicContact CE2-CE1 3.98Å; Y155-F193 HydrophobicContact CG-CD1 4.48Å; Y155-F193 AromaticContact CG-CE1 3.85Å; Y155-F193 HydrophobicContact CG-CE1 3.85Å |
| 156 | C | 79.6 | Confident | 83 | Confident | 75 Ų | 75 | 74.7 Ų | 74.7 | 51% | 0.507 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.7 | -30.5 | -178.8 | -64.6 | 0 | 0 | 0 | 0 | 113.6 | S152 Y153 | S152-C156 PolarHBondContact O-N 3.4Å; S152-C156 PolarHBondContact O-SG 2.93Å; Y153-C156 PolarHBondContact O-N 3.1Å |
| 157 | W | 80.1 | Confident | 82.4 | Confident | 161 Ų | 161 | 75.6 Ų | 75.6 | 61% | 0.61 | 36% | 0.356 | S | S | * | . | trans | -132.9 | 79.7 | -179.3 | -65.3 | -77.9 | 0 | 0 | 0 | 111 | Y153 R154 Y155 K159 L160 | Y153-W157 HydrophobicContact CG-CZ3 4.45Å; Y153-W157 WeakPolarHBondContact O-CA 3.08Å; Y153-W157 WeakPolarHBondContact O-CB 3.42Å; Y153-W157 PolarHBondContact O-N 2.62Å; R154-W157 CarbonylContact O-C 3.5Å; Y155-W157 VanDerWaalsContact C-N 3.34Å; Y155-W157 PolarHBondContact O-N 3.14Å; W157-K159 PolarHBondContact O-N 3.37Å; W157-L160 HydrophobicContact CB-CB 4.35Å; W157-L160 WeakPolarHBondContact O-CB 3.33Å; W157-L160 PolarHBondContact O-N 2.86Å | ||
| 158 | P | 77.2 | Confident | 81.9 | Confident | 92 Ų | 92 | 78.1 Ų | 78.1 | 60% | 0.597 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -23.8 | -175.9 | -27.2 | 35.8 | 0 | 0 | 0 | 114.9 | R154 L160 | R154-P158 VanDerWaalsContact O-CA 3.26Å; R154-P158 WeakPolarHBondContact O-CA 3.35Å; P158-L160 PolarHBondContact O-N 2.91Å |
| 159 | K | 79.3 | Confident | 81.6 | Confident | 195 Ų | 195 | 80.3 Ų | 80.3 | 85% | 0.848 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | 1.4 | 178.6 | -62.9 | -175.8 | -178.3 | 176.4 | 0 | 113.7 | W157 K161 | W157-K159 PolarHBondContact O-N 3.37Å; K159-K161 PolarHBondContact O-N 3.35Å |
| 160 | L | 77 | Confident | 81.5 | Confident | 20 Ų | 20 | 80.4 Ų | 80.4 | 11% | 0.105 | 38% | 0.383 | C | S | . | . | trans | -69.4 | 112.9 | -177.6 | -179.8 | 60.9 | 0 | 0 | 0 | 111.5 | R154 W157 P158 W162 I164 | R154-L160 HydrophobicContact CG-CB 4.34Å; R154-L160 HydrophobicContact CG-CD2 4.25Å; W157-L160 HydrophobicContact CB-CB 4.35Å; W157-L160 WeakPolarHBondContact O-CB 3.33Å; W157-L160 PolarHBondContact O-N 2.86Å; P158-L160 PolarHBondContact O-N 2.91Å; L160-W162 HydrophobicContact CD1-CD2 3.98Å; L160-W162 HydrophobicContact CD1-CG 4.16Å; L160-W162 HydrophobicContact CD1-CZ2 4.1Å; L160-W162 WeakPolarHBondContact CG-O 3.47Å; L160-I164 HydrophobicContact CD1-CD1 3.46Å; L160-I164 VanDerWaalsContact CD1-CD1 3.46Å; L160-I164 HydrophobicContact CD1-CG1 3.82Å; L160-I164 HydrophobicContact CD2-CD1 3.4Å; L160-I164 VanDerWaalsContact CD2-CD1 3.4Å; L160-I164 HydrophobicContact CD2-CG1 3.76Å; L160-I164 HydrophobicContact CG-CD1 4.05Å; L160-I164 HydrophobicContact CG-CG1 4.34Å | ||
| 161 | K | 76.6 | Confident | 81.4 | Confident | 188 Ų | 188 | 80.2 Ų | 80.2 | 82% | 0.817 | 38% | 0.382 | S | S | * | . | trans | -98.2 | -14.2 | -176.1 | -64.9 | -175.9 | -178.7 | -178.3 | 0 | 114.6 | K159 | K159-K161 PolarHBondContact O-N 3.35Š| ||
| 162 | W | 76.6 | Confident | 81.5 | Confident | 175 Ų | 175 | 80.4 Ų | 80.4 | 66% | 0.663 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -117.6 | 158.7 | -178.9 | 55.3 | 87.3 | 0 | 0 | 0 | 111.1 | L160 | L160-W162 HydrophobicContact CD1-CD2 3.98Å; L160-W162 HydrophobicContact CD1-CG 4.16Å; L160-W162 HydrophobicContact CD1-CZ2 4.1Å; L160-W162 WeakPolarHBondContact CG-O 3.47Å |
| 163 | D | 77.3 | Confident | 82 | Confident | 74 Ų | 74 | 82.7 Ų | 82.7 | 40% | 0.396 | 39% | 0.389 | S | S | . | . | trans | -74.6 | 131.3 | 175.4 | -71.9 | -0.8 | 0 | 0 | 0 | 109.9 | R154 Y172 K173 | R154-D163 IonicContact CZ-OD1 2.7Å; R154-D163 IonicContact NH1-OD1 3.34Å; R154-D163 IonicContact NH2-OD1 2.81Å; R154-D163 PolarHBondContact NH2-OD1 3.25Å; D163-Y172 PolarHBondContact OD1-OH 2.82Å; D163-K173 WeakPolarHBondContact OD2-CE 3.46Å; D163-K173 IonicContact OD2-NZ 2.72Å; D163-K173 PolarHBondContact OD2-NZ 3.4Å | ||
| 164 | I | 71.4 | Confident | 82.6 | Confident | 59 Ų | 59 | 81.9 Ų | 81.9 | 30% | 0.303 | 39% | 0.386 | S | S | . | . | trans | -104.6 | 141.8 | 174.6 | -57.6 | -178.4 | 0 | 0 | 0 | 108.6 | Y153 L160 | Y153-I164 HydrophobicContact CD2-CB 3.87Å; Y153-I164 HydrophobicContact CD2-CD1 4.04Å; Y153-I164 HydrophobicContact CD2-CG1 4.49Å; Y153-I164 HydrophobicContact CD2-CG2 3.92Å; Y153-I164 HydrophobicContact CE2-CB 4.15Å; Y153-I164 HydrophobicContact CE2-CG2 3.71Å; L160-I164 HydrophobicContact CD1-CD1 3.46Å; L160-I164 VanDerWaalsContact CD1-CD1 3.46Å; L160-I164 HydrophobicContact CD1-CG1 3.82Å; L160-I164 HydrophobicContact CD2-CD1 3.4Å; L160-I164 VanDerWaalsContact CD2-CD1 3.4Å; L160-I164 HydrophobicContact CD2-CG1 3.76Å; L160-I164 HydrophobicContact CG-CD1 4.05Å; L160-I164 HydrophobicContact CG-CG1 4.34Å | ||
| 165 | C | 69.9 | Low | 83.2 | Confident | 96 Ų | 96 | 80.7 Ų | 80.7 | 65% | 0.649 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 146.4 | 169.5 | -63.6 | 0 | 0 | 0 | 0 | 110.4 | D167 | C165-D167 PolarHBondContact O-N 3.44Š|
| 166 | F | 75.3 | Confident | 84 | Confident | 182 Ų | 182 | 80.5 Ų | 80.5 | 80% | 0.798 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.3 | 13.9 | 178.9 | -41.3 | -74.9 | 0 | 0 | 0 | 115.8 | T168 | F166-T168 PolarHBondContact O-N 2.83Š|
| 167 | D | 84 | Confident | 84.9 | Confident | 20 Ų | 20 | 83.8 Ų | 83.8 | 11% | 0.107 | 39% | 0.385 | C | S | . | . | trans | -63.5 | 132.5 | 167.5 | -168.1 | 10 | 0 | 0 | 0 | 110.1 | S151 Y153 R154 C165 C170 | S151-D167 VanDerWaalsContact CB-CG 3.49Å; S151-D167 WeakPolarHBondContact CB-OD1 3.5Å; S151-D167 WeakPolarHBondContact CB-OD2 3.48Å; S151-D167 PolarHBondContact OG-OD1 2.99Å; S151-D167 VanDerWaalsContact OG-OD1 3.07Å; S151-D167 PolarHBondContact OG-OD2 3.25Å; Y153-D167 VanDerWaalsContact CB-OD1 3.26Å; Y153-D167 WeakPolarHBondContact CB-OD1 3.46Å; Y153-D167 HydrophobicContact CD2-CB 4.17Å; Y153-D167 HydrophobicContact CG-CB 4.15Å; Y153-D167 PolarHBondContact N-OD1 3.05Å; R154-D167 IonicContact NH1-OD2 3.01Å; C165-D167 PolarHBondContact O-N 3.44Å; D167-C170 VanDerWaalsContact CG-SG 3.57Å; D167-C170 PolarHBondContact O-SG 3.42Å | ||
| 168 | T | 86.2 | Confident | 85.8 | Confident | 53 Ų | 53 | 76.1 Ų | 76.1 | 33% | 0.325 | 36% | 0.356 | S | S | . | . | trans | -107.5 | 157.3 | -175.6 | 52.1 | 0 | 0 | 0 | 0 | 111 | S152 F166 C170 | S152-T168 WeakPolarHBondContact CB-OG1 3.28Å; S152-T168 PolarHBondContact N-O 2.85Å; S152-T168 PolarHBondContact OG-OG1 3.03Å; F166-T168 PolarHBondContact O-N 2.83Å; T168-C170 VanDerWaalsContact C-N 3.26Å; T168-C170 PolarHBondContact O-N 3.39Å | ||
| 169 | F | 90 | Very high | 86.7 | Confident | 46 Ų | 46 | 76.3 Ų | 76.3 | 20% | 0.202 | 36% | 0.356 | C | S | . | . | S | Bend | trans | 56.1 | 39.5 | 178.5 | -53.4 | -85.9 | 0 | 0 | 0 | 112.6 | E94 L126 V129 F149 S151 S152 N171 | E94-F169 HydrophobicContact CB-CD1 3.93Å; E94-F169 HydrophobicContact CB-CE1 3.62Å; E94-F169 HydrophobicContact CB-CZ 3.98Å; E94-F169 HydrophobicContact CG-CD1 3.83Å; E94-F169 HydrophobicContact CG-CE1 4.04Å; E94-F169 HydrophobicContact CG-CG 4.39Å; E94-F169 VanDerWaalsContact OE1-CA 3.25Å; E94-F169 WeakPolarHBondContact OE1-CA 3.48Å; E94-F169 PolarHBondContact OE1-N 2.95Å; E94-F169 VanDerWaalsContact OE1-N 3.11Å; E94-F169 PolarHBondContact OE2-N 2.98Å; L126-F169 HydrophobicContact CD1-CD1 3.91Å; L126-F169 HydrophobicContact CD1-CE1 3.77Å; L126-F169 HydrophobicContact CD1-CZ 4.45Å; V129-F169 HydrophobicContact CB-CD1 4.32Å; V129-F169 HydrophobicContact CG1-CD1 3.99Å; V129-F169 HydrophobicContact CG2-CB 3.79Å; V129-F169 HydrophobicContact CG2-CD1 3.8Å; V129-F169 HydrophobicContact CG2-CG 4.25Å; F149-F169 HydrophobicContact CE2-CB 3.7Å; F149-F169 HydrophobicContact CZ-CB 3.86Å; F149-F169 HydrophobicContact CZ-CG 4.5Å; S151-F169 WeakPolarHBondContact CA-O 3.45Å; S152-F169 WeakPolarHBondContact OG-CD2 3.43Å; F169-N171 VanDerWaalsContact C-N 3.26Å; F169-N171 PolarHBondContact O-N 3.46Å |
| 170 | C | 92 | Very high | 87.6 | Confident | 14 Ų | 14 | 67 Ų | 67 | 10% | 0.095 | 32% | 0.316 | C | S | . | . | trans | -68.7 | 71.6 | -176.4 | -72.6 | 0 | 0 | 0 | 0 | 113.6 | L150 D167 T168 Y172 K173 R174 | L150-C170 CarbonylContact O-C 3.33Å; D167-C170 VanDerWaalsContact CG-SG 3.57Å; D167-C170 PolarHBondContact O-SG 3.42Å; T168-C170 VanDerWaalsContact C-N 3.26Å; T168-C170 PolarHBondContact O-N 3.39Å; C170-Y172 HydrophobicContact CB-CE1 4.08Å; C170-Y172 PolarHBondContact O-N 3.45Å; C170-K173 HydrophobicContact CB-CB 4.2Å; C170-K173 HydrophobicContact CB-CD 4.06Å; C170-K173 HydrophobicContact CB-CG 4.27Å; C170-K173 PolarHBondContact O-N 2.82Å; C170-R174 PolarHBondContact O-N 3.41Å | ||
| 171 | N | 93.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -55.7 | -44.6 | 175.7 | -77.9 | -26.5 | 0 | 0 | 0 | 112.7 | T128 V129 T132 F149 L150 F169 K173 R174 A175 M201 | T128-N171 PolarHBondContact O-OD1 2.86Å; T128-N171 PolarHBondContact OG1-ND2 3.36Å; V129-N171 WeakPolarHBondContact CA-OD1 3.18Å; V129-N171 WeakPolarHBondContact CG2-OD1 3.45Å; V129-N171 PolarHBondContact N-OD1 3.22Å; T132-N171 HydrophobicContact CG2-CB 4.45Å; T132-N171 PolarHBondContact OG1-OD1 2.87Å; F149-N171 WeakPolarHBondContact O-CB 3.29Å; F149-N171 PolarHBondContact O-ND2 2.89Å; L150-N171 PolarHBondContact O-N 2.94Å; F169-N171 VanDerWaalsContact C-N 3.26Å; F169-N171 PolarHBondContact O-N 3.46Å; N171-K173 PolarHBondContact O-N 2.91Å; N171-R174 CarbonylContact O-C 3.53Å; N171-R174 WeakPolarHBondContact O-CB 3.41Å; N171-R174 PolarHBondContact O-N 3.41Å; N171-A175 WeakPolarHBondContact O-CB 3.22Å; N171-A175 PolarHBondContact O-N 3.01Å; N171-M201 HydrophobicContact CB-CE 3.45Å; N171-M201 VanDerWaalsContact CB-CE 3.45Å; N171-M201 HydrophobicContact CB-SD 4.33Å |
| 172 | Y | 93.6 | Very high | 89.7 | Confident | 3 Ų | 3 | 59.2 Ų | 59.2 | 1% | 0.012 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.6 | -36.9 | -178.3 | 72.6 | -79.6 | 0 | 0 | 0 | 112.5 | L150 R154 D163 C170 R176 | L150-Y172 HydrophobicContact CB-CD1 4.18Å; L150-Y172 WeakPolarHBondContact O-CD1 3.47Å; L150-Y172 PolarHBondContact O-N 3.29Å; R154-Y172 PolarHBondContact NH1-OH 2.96Å; D163-Y172 PolarHBondContact OD1-OH 2.82Å; C170-Y172 HydrophobicContact CB-CE1 4.08Å; C170-Y172 PolarHBondContact O-N 3.45Å; Y172-R176 WeakPolarHBondContact O-CG 3.35Å; Y172-R176 PolarHBondContact O-N 2.96Å |
| 173 | K | 94.8 | Very high | 90.8 | Very high | 77 Ų | 77 | 51.6 Ų | 51.6 | 34% | 0.335 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -68.4 | -36.2 | 176.6 | -72.1 | -178.5 | 166.8 | 160.7 | 0 | 112.3 | D163 C170 N171 | D163-K173 WeakPolarHBondContact OD2-CE 3.46Å; D163-K173 IonicContact OD2-NZ 2.72Å; D163-K173 PolarHBondContact OD2-NZ 3.4Å; C170-K173 HydrophobicContact CB-CB 4.2Å; C170-K173 HydrophobicContact CB-CD 4.06Å; C170-K173 HydrophobicContact CB-CG 4.27Å; C170-K173 PolarHBondContact O-N 2.82Å; N171-K173 PolarHBondContact O-N 2.91Å |
| 174 | R | 96.1 | Very high | 91.8 | Very high | 50 Ų | 50 | 48.1 Ų | 48.1 | 19% | 0.189 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -73.2 | -42.8 | 177.2 | -66.6 | 176.4 | 173.2 | 101.6 | -0.4 | 110.7 | E94 C170 N171 R176 K177 | E94-R174 IonicContact OE1-CZ 2.95Å; E94-R174 IonicContact OE1-NH1 2.62Å; E94-R174 PolarHBondContact OE1-NH1 3.09Å; E94-R174 IonicContact OE1-NH2 3.57Å; E94-R174 PolarHBondContact OE1-NH2 2.91Å; C170-R174 PolarHBondContact O-N 3.41Å; N171-R174 CarbonylContact O-C 3.53Å; N171-R174 WeakPolarHBondContact O-CB 3.41Å; N171-R174 PolarHBondContact O-N 3.41Å; R174-R176 PolarHBondContact O-N 2.76Å; R174-K177 PolarHBondContact O-N 2.91Å |
| 175 | A | 96.8 | Very high | 93 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -55 | -36 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | N171 K177 I178 M201 E204 C205 P206 | N171-A175 WeakPolarHBondContact O-CB 3.22Å; N171-A175 PolarHBondContact O-N 3.01Å; A175-K177 PolarHBondContact O-N 2.82Å; A175-I178 HydrophobicContact CB-CD1 4.46Å; A175-I178 WeakPolarHBondContact O-CB 3.31Å; A175-I178 PolarHBondContact O-N 2.82Å; A175-M201 HydrophobicContact CB-SD 3.57Å; A175-M201 VanDerWaalsContact CB-SD 3.57Å; A175-E204 CarbonylContact C-O 3.53Å; A175-C205 HydrophobicContact CB-CB 4.08Å; A175-P206 WeakPolarHBondContact O-CD 3.47Å |
| 176 | R | 97.4 | Very high | 94.4 | Very high | 110 Ų | 110 | 40.8 Ų | 40.8 | 42% | 0.415 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -21.5 | 172.9 | -71.7 | 173 | -178.2 | 175.4 | 2.4 | 115.5 | Y172 R174 E204 P206 | Y172-R176 WeakPolarHBondContact O-CG 3.35Å; Y172-R176 PolarHBondContact O-N 2.96Å; R174-R176 PolarHBondContact O-N 2.76Å; R176-E204 WeakPolarHBondContact CA-O 3.46Å; R176-E204 HydrophobicContact CG-CB 4.25Å; R176-E204 VanDerWaalsContact CG-O 3.3Å; R176-E204 WeakPolarHBondContact CG-O 3.4Å; R176-E204 IonicContact CZ-OE1 3.74Å; R176-E204 IonicContact CZ-OE2 2.86Å; R176-E204 VanDerWaalsContact CZ-OE2 3.29Å; R176-E204 PolarHBondContact N-O 3.43Å; R176-E204 IonicContact NE-OE1 3.73Å; R176-E204 IonicContact NE-OE2 3.8Å; R176-E204 PolarHBondContact NE-OE2 2.88Å; R176-E204 IonicContact NH2-OE1 3.31Å; R176-E204 PolarHBondContact NH2-OE1 3.46Å; R176-E204 IonicContact NH2-OE2 3.01Å; R176-E204 PolarHBondContact NH2-OE2 2.81Å; R176-E204 VanDerWaalsContact NH2-OE2 3.12Å; R176-P206 WeakPolarHBondContact O-CG 3.28Å |
| 177 | K | 97.8 | Very high | 95.4 | Very high | 144 Ų | 144 | 32.1 Ų | 32.1 | 63% | 0.626 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -6.9 | -179.1 | -60 | 179.4 | -178.6 | -179.3 | 0 | 113 | A136 R174 A175 T179 | A136-K177 HydrophobicContact CB-CB 3.77Å; A136-K177 HydrophobicContact CB-CD 4.34Å; R174-K177 PolarHBondContact O-N 2.91Å; A175-K177 PolarHBondContact O-N 2.82Å; K177-T179 PolarHBondContact O-N 2.95Å |
| 178 | I | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -80.1 | 114.8 | -178.1 | -53.8 | 179.7 | 0 | 0 | 0 | 108.6 | T132 V143 A175 T182 P206 G207 | T132-I178 HydrophobicContact CG2-CD1 4.01Å; V143-I178 HydrophobicContact CG2-CG2 4Å; A175-I178 HydrophobicContact CB-CD1 4.46Å; A175-I178 WeakPolarHBondContact O-CB 3.31Å; A175-I178 PolarHBondContact O-N 2.82Å; I178-T182 WeakPolarHBondContact CG2-OG1 3.4Å; I178-P206 WeakPolarHBondContact O-CD 3.45Å; I178-G207 PolarHBondContact O-N 2.85Å; I178-G207 VanDerWaalsContact O-N 3.09Å | ||
| 179 | T | 97.5 | Very high | 96.5 | Very high | 96 Ų | 96 | 37 Ų | 37 | 59% | 0.589 | 18% | 0.178 | S | C | * | . | trans | -106.4 | -10.6 | 177.8 | 56.5 | 0 | 0 | 0 | 0 | 113.1 | K177 | K177-T179 PolarHBondContact O-N 2.95Š| ||
| 180 | S | 98.5 | Very high | 96.7 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.007 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -68.3 | 149.4 | 173.8 | -47.7 | 0 | 0 | 0 | 0 | 110.8 | V140 T182 G207 | V140-S180 PolarHBondContact N-OG 3.07Å; V140-S180 PolarHBondContact O-OG 3.07Å; S180-T182 PolarHBondContact O-N 2.99Å; S180-T182 PolarHBondContact O-OG1 2.89Å; S180-G207 WeakPolarHBondContact O-CA 3.47Å |
| 181 | P | 98.4 | Very high | 96.7 | Very high | 39 Ų | 39 | 42.6 Ų | 42.6 | 25% | 0.253 | 20% | 0.204 | S | C | . | . | trans | -49 | 128.3 | 171.9 | -26.8 | 35.1 | 0 | 0 | 0 | 111.1 | G142 V143 G207 F235 H239 | G142-P181 CarbonylContact C-O 3.56Å; G142-P181 WeakPolarHBondContact CA-O 3.48Å; V143-P181 PolarHBondContact N-O 3.09Å; P181-G207 CarbonylContact C-O 3.58Å; P181-G207 WeakPolarHBondContact CA-O 3.5Å; P181-F235 HydrophobicContact CB-CE2 3.93Å; P181-F235 HydrophobicContact CB-CZ 4.11Å; P181-F235 WeakPolarHBondContact O-CZ 3.29Å; P181-H239 HydrophobicContact CB-CB 4.04Å; P181-H239 HydrophobicContact CG-CB 4.19Å | ||
| 182 | T | 98.8 | Very high | 96.5 | Very high | 5 Ų | 5 | 46.9 Ų | 46.9 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 121 | -172.3 | -58.3 | 0 | 0 | 0 | 0 | 112 | V143 L145 I178 S180 I184 G207 S208 | V143-T182 HydrophobicContact CB-CG2 4.06Å; V143-T182 HydrophobicContact CG1-CG2 4.18Å; V143-T182 CarbonylContact O-C 3.59Å; V143-T182 VanDerWaalsContact O-CA 3.25Å; V143-T182 WeakPolarHBondContact O-CA 3.28Å; L145-T182 HydrophobicContact CD1-CG2 4.26Å; L145-T182 HydrophobicContact CG-CG2 4.38Å; I178-T182 WeakPolarHBondContact CG2-OG1 3.4Å; S180-T182 PolarHBondContact O-N 2.99Å; S180-T182 PolarHBondContact O-OG1 2.89Å; T182-I184 HydrophobicContact CG2-CG1 4.22Å; T182-G207 PolarHBondContact N-O 3.16Å; T182-S208 WeakPolarHBondContact O-CA 3.34Å; T182-S208 PolarHBondContact O-OG 3.24Å |
| 183 | L | 98.6 | Very high | 96.4 | Very high | 15 Ų | 15 | 47.3 Ų | 47.3 | 8% | 0.079 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 132.2 | 170.1 | 178.2 | 63 | 0 | 0 | 0 | 109.8 | V143 I144 L145 L185 V212 V232 F235 | V143-L183 PolarHBondContact O-N 2.82Å; I144-L183 WeakPolarHBondContact CA-O 2.92Å; I144-L183 HydrophobicContact CG1-CB 4.31Å; I144-L183 HydrophobicContact CG2-CD2 4.37Å; L145-L183 PolarHBondContact N-O 2.8Å; L183-L185 HydrophobicContact CD1-CD2 4.44Å; L183-L185 HydrophobicContact CD1-CG 4.44Å; L183-L185 HydrophobicContact CD2-CD1 3.78Å; L183-L185 HydrophobicContact CD2-CD2 4.26Å; L183-L185 HydrophobicContact CD2-CG 4.01Å; L183-L185 HydrophobicContact CG-CD1 4.19Å; L183-L185 HydrophobicContact CG-CD2 4.4Å; L183-L185 HydrophobicContact CG-CG 3.96Å; L183-V212 HydrophobicContact CD1-CG2 3.87Å; L183-V232 HydrophobicContact CD2-CG2 4.21Å; L183-F235 HydrophobicContact CB-CB 4.35Å; L183-F235 HydrophobicContact CB-CD1 4.03Å; L183-F235 HydrophobicContact CB-CD2 3.73Å; L183-F235 HydrophobicContact CB-CE1 4.23Å; L183-F235 HydrophobicContact CB-CE2 3.95Å; L183-F235 HydrophobicContact CB-CG 3.77Å; L183-F235 HydrophobicContact CB-CZ 4.19Å; L183-F235 HydrophobicContact CD2-CB 3.82Å; L183-F235 HydrophobicContact CD2-CD1 4.27Å; L183-F235 HydrophobicContact CD2-CG 4.05Å; L183-F235 HydrophobicContact CG-CB 4.48Å; L183-F235 HydrophobicContact CG-CG 4.41Å |
| 184 | I | 98.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 121.6 | 174.3 | -61.3 | 172.4 | 0 | 0 | 0 | 107.6 | L145 T182 A198 M201 A202 S208 P211 V212 | L145-I184 HydrophobicContact CB-CG1 4.32Å; L145-I184 HydrophobicContact CD1-CG1 4.27Å; L145-I184 WeakPolarHBondContact O-CA 3.43Å; T182-I184 HydrophobicContact CG2-CG1 4.22Å; I184-A198 HydrophobicContact CG2-CB 3.9Å; I184-M201 HydrophobicContact CD1-CB 4.02Å; I184-M201 HydrophobicContact CD1-CG 3.8Å; I184-A202 VanDerWaalsContact CD1-CA 3.47Å; I184-A202 HydrophobicContact CD1-CB 3.84Å; I184-S208 WeakPolarHBondContact CD1-OG 3.36Å; I184-P211 HydrophobicContact CB-CB 4.14Å; I184-P211 HydrophobicContact CG2-CB 4.02Å; I184-V212 PolarHBondContact O-N 3.07Å |
| 185 | L | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 132.2 | -178.5 | -67.9 | 158.3 | 0 | 0 | 0 | 109.2 | I144 L145 S147 L183 V212 I214 L222 F228 A231 V232 | I144-L185 HydrophobicContact CG2-CD1 3.84Å; L145-L185 PolarHBondContact O-N 3.21Å; S147-L185 PolarHBondContact N-O 3.32Å; L183-L185 HydrophobicContact CD1-CD2 4.44Å; L183-L185 HydrophobicContact CD1-CG 4.44Å; L183-L185 HydrophobicContact CD2-CD1 3.78Å; L183-L185 HydrophobicContact CD2-CD2 4.26Å; L183-L185 HydrophobicContact CD2-CG 4.01Å; L183-L185 HydrophobicContact CG-CD1 4.19Å; L183-L185 HydrophobicContact CG-CD2 4.4Å; L183-L185 HydrophobicContact CG-CG 3.96Å; L185-V212 WeakPolarHBondContact CA-O 3.39Å; L185-V212 HydrophobicContact CD2-CB 3.89Å; L185-V212 HydrophobicContact CD2-CG1 4.07Å; L185-I214 HydrophobicContact CD2-CD1 4.09Å; L185-I214 HydrophobicContact CD2-CG1 4.46Å; L185-L222 HydrophobicContact CB-CD2 4.06Å; L185-F228 HydrophobicContact CB-CE2 4.49Å; L185-F228 HydrophobicContact CD1-CD2 3.91Å; L185-F228 HydrophobicContact CD1-CE2 3.69Å; L185-F228 HydrophobicContact CD1-CZ 4.48Å; L185-F228 HydrophobicContact CD2-CD2 4.32Å; L185-F228 HydrophobicContact CG-CD2 4.48Å; L185-A231 HydrophobicContact CD2-CB 3.86Å; L185-V232 HydrophobicContact CD1-CG2 3.8Å |
| 186 | H | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 140.5 | -179.3 | -146.7 | 93.2 | 0 | 0 | 0 | 111.6 | D190 F193 A198 V212 I213 I214 | H186-D190 IonicContact CD2-OD2 3.54Å; H186-D190 IonicContact CE1-OD2 2.66Å; H186-D190 IonicContact NE2-OD2 3.12Å; H186-D190 PolarHBondContact NE2-OD2 3.35Å; H186-D190 VanDerWaalsContact NE2-OD2 3.16Å; H186-F193 PolarHBondContact NE2-O 3.44Å; H186-A198 HydrophobicContact CB-CB 3.64Å; H186-V212 PolarHBondContact N-O 3.17Å; H186-V212 VanDerWaalsContact N-O 3.08Å; H186-I213 HydrophobicContact CB-CD1 4Å; H186-I213 CarbonylContact O-C 3.54Å; H186-I213 VanDerWaalsContact O-CA 3.28Å; H186-I213 WeakPolarHBondContact O-CA 3.39Å; H186-I214 PolarHBondContact O-N 3.13Å |
| 187 | G | 97 | Very high | 95.9 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 137.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | M189 D190 A217 | G187-M189 PolarHBondContact O-N 2.99Å; G187-D190 WeakPolarHBondContact O-CB 3.5Å; G187-D190 PolarHBondContact O-N 3.39Å; G187-A217 CarbonylContact C-O 3.52Å; G187-A217 VanDerWaalsContact C-O 3.31Å; G187-A217 WeakPolarHBondContact CA-O 3.38Å |
| 188 | N | 96.1 | Very high | 95.8 | Very high | 74 Ų | 74 | 38.6 Ų | 38.6 | 40% | 0.396 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -18.7 | 176.8 | 71.6 | -26.8 | 0 | 0 | 0 | 113.6 | V195 I213 I214 A215 G216 A217 | N188-V195 HydrophobicContact CB-CG1 4.46Å; N188-I213 HydrophobicContact CB-CG2 3.71Å; N188-I214 PolarHBondContact N-O 3.21Å; N188-I214 PolarHBondContact OD1-O 3.15Å; N188-A215 WeakPolarHBondContact OD1-CA 3.49Å; N188-G216 PolarHBondContact OD1-N 2.78Å; N188-A217 PolarHBondContact N-O 2.77Å |
| 189 | M | 96 | Very high | 95.6 | Very high | 102 Ų | 102 | 44.6 Ų | 44.6 | 50% | 0.502 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 10.7 | 178 | -62 | -63.2 | -75.3 | 0 | 0 | 112.3 | G187 Q191 A217 | G187-M189 PolarHBondContact O-N 2.99Å; M189-Q191 WeakPolarHBondContact O-CG 3.26Å; M189-Q191 PolarHBondContact O-N 3.04Å; M189-Q191 PolarHBondContact O-NE2 3.19Å; M189-A217 WeakPolarHBondContact CA-O 3.14Å; M189-A217 WeakPolarHBondContact CB-O 3.49Å; M189-A217 PolarHBondContact N-O 2.89Å |
| 190 | D | 95.5 | Very high | 95.5 | Very high | 12 Ų | 12 | 43.6 Ų | 43.6 | 6% | 0.064 | 22% | 0.221 | C | C | . | . | trans | -60.2 | 108.2 | 176.4 | -173.7 | -18.5 | 0 | 0 | 0 | 110.4 | H186 G187 M192 F193 H219 | H186-D190 IonicContact CD2-OD2 3.54Å; H186-D190 IonicContact CE1-OD2 2.66Å; H186-D190 IonicContact NE2-OD2 3.12Å; H186-D190 PolarHBondContact NE2-OD2 3.35Å; H186-D190 VanDerWaalsContact NE2-OD2 3.16Å; G187-D190 WeakPolarHBondContact O-CB 3.5Å; G187-D190 PolarHBondContact O-N 3.39Å; D190-M192 VanDerWaalsContact C-N 3.34Å; D190-M192 WeakPolarHBondContact OD1-CA 3.43Å; D190-M192 WeakPolarHBondContact OD1-CB 3.5Å; D190-M192 PolarHBondContact OD1-N 3.25Å; D190-F193 WeakPolarHBondContact CB-O 3.44Å; D190-F193 PolarHBondContact OD1-N 2.86Å; D190-H219 WeakPolarHBondContact OD1-CB 3.17Å; D190-H219 IonicContact OD1-CG 3.55Å; D190-H219 IonicContact OD1-ND1 3.71Å; D190-H219 PolarHBondContact OD1-ND1 3.01Å; D190-H219 IonicContact OD2-CE1 3.25Å; D190-H219 IonicContact OD2-CG 2.92Å; D190-H219 IonicContact OD2-ND1 3.78Å; D190-H219 PolarHBondContact OD2-ND1 3.47Å | ||
| 191 | Q | 91.1 | Very high | 95.3 | Very high | 166 Ų | 166 | 43.5 Ų | 43.5 | 78% | 0.776 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -83.2 | -11.6 | 179.6 | -59.4 | -57 | -49.6 | 0 | 0 | 112.7 | M189 | M189-Q191 WeakPolarHBondContact O-CG 3.26Å; M189-Q191 PolarHBondContact O-N 3.04Å; M189-Q191 PolarHBondContact O-NE2 3.19Å |
| 192 | M | 89.3 | Confident | 95.3 | Very high | 90 Ų | 90 | 42.3 Ų | 42.3 | 44% | 0.443 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -89 | -45.7 | 178.6 | -171.4 | 175.3 | -65.9 | 0 | 0 | 111.1 | Y155 D190 H219 | Y155-M192 HydrophobicContact CE2-CG 4.07Å; Y155-M192 WeakPolarHBondContact CE2-O 3.33Å; D190-M192 VanDerWaalsContact C-N 3.34Å; D190-M192 WeakPolarHBondContact OD1-CA 3.43Å; D190-M192 WeakPolarHBondContact OD1-CB 3.5Å; D190-M192 PolarHBondContact OD1-N 3.25Å; M192-H219 HydrophobicContact CB-CB 4.42Å |
| 193 | F | 91.4 | Very high | 95.1 | Very high | 12 Ų | 12 | 50.8 Ų | 50.8 | 5% | 0.053 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -130.3 | 121.2 | 178 | -53.6 | -60.8 | 0 | 0 | 0 | 110.5 | F149 Y155 H186 D190 H219 | F149-F193 HydrophobicContact CB-CD1 3.48Å; F149-F193 VanDerWaalsContact CB-CD1 3.48Å; F149-F193 HydrophobicContact CB-CD2 3.98Å; F149-F193 HydrophobicContact CB-CE1 3.39Å; F149-F193 HydrophobicContact CB-CE2 3.91Å; F149-F193 HydrophobicContact CB-CG 3.79Å; F149-F193 HydrophobicContact CB-CZ 3.62Å; F149-F193 HydrophobicContact CD1-CE1 4.28Å; F149-F193 AromaticContact CD1-CE2 3.9Å; F149-F193 HydrophobicContact CD1-CE2 3.9Å; F149-F193 AromaticContact CD1-CZ 3.68Å; F149-F193 HydrophobicContact CD1-CZ 3.68Å; F149-F193 HydrophobicContact CD2-CE1 4.45Å; F149-F193 HydrophobicContact CG-CD1 4.39Å; F149-F193 AromaticContact CG-CE1 3.81Å; F149-F193 HydrophobicContact CG-CE1 3.81Å; F149-F193 HydrophobicContact CG-CE2 4.19Å; F149-F193 AromaticContact CG-CZ 3.7Å; F149-F193 HydrophobicContact CG-CZ 3.7Å; Y155-F193 AromaticContact CD2-CD1 3.7Å; Y155-F193 HydrophobicContact CD2-CD1 3.7Å; Y155-F193 AromaticContact CD2-CE1 3.33Å; Y155-F193 HydrophobicContact CD2-CE1 3.33Å; Y155-F193 HydrophobicContact CD2-CZ 4.39Å; Y155-F193 HydrophobicContact CE2-CD1 4.39Å; Y155-F193 AromaticContact CE2-CE1 3.98Å; Y155-F193 HydrophobicContact CE2-CE1 3.98Å; Y155-F193 HydrophobicContact CG-CD1 4.48Å; Y155-F193 AromaticContact CG-CE1 3.85Å; Y155-F193 HydrophobicContact CG-CE1 3.85Å; H186-F193 PolarHBondContact NE2-O 3.44Å; D190-F193 WeakPolarHBondContact CB-O 3.44Å; D190-F193 PolarHBondContact OD1-N 2.86Å; F193-H219 AromaticContact CD2-CE1 3.33Å; F193-H219 WeakPolarHBondContact CD2-CE1 3.4Å; F193-H219 AromaticContact CD2-ND1 3.72Å; F193-H219 AromaticContact CE2-CE1 3.36Å; F193-H219 WeakPolarHBondContact CE2-CE1 3.26Å; F193-H219 AromaticContact CE2-NE2 4Å |
| 194 | S | 92.7 | Very high | 95 | Very high | 51 Ų | 51 | 52.5 Ų | 52.5 | 36% | 0.357 | 26% | 0.258 | S | S | . | . | trans | -63 | 153.9 | 175.7 | 72.8 | 0 | 0 | 0 | 0 | 111.3 | D196 H197 | S194-D196 PolarHBondContact O-N 2.97Å; S194-D196 PolarHBondContact OG-OD2 3.21Å; S194-H197 WeakPolarHBondContact O-CB 3.16Å; S194-H197 PolarHBondContact O-N 2.85Å | ||
| 195 | V | 94 | Very high | 95 | Very high | 43 Ų | 43 | 52.6 Ų | 52.6 | 26% | 0.261 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -21.4 | 176.6 | -64.7 | 0 | 0 | 0 | 0 | 113.8 | N188 H197 A198 Y199 I213 | N188-V195 HydrophobicContact CB-CG1 4.46Å; V195-H197 PolarHBondContact O-N 2.99Å; V195-A198 WeakPolarHBondContact O-CB 3.39Å; V195-A198 PolarHBondContact O-N 3.28Å; V195-Y199 HydrophobicContact CB-CD2 4.48Å; V195-Y199 HydrophobicContact CB-CE2 4.23Å; V195-Y199 HydrophobicContact CG2-CE2 4.24Å; V195-Y199 WeakPolarHBondContact O-CD2 3.1Å; V195-Y199 PolarHBondContact O-N 2.87Å; V195-I213 HydrophobicContact CB-CD1 4.32Å; V195-I213 HydrophobicContact CG1-CD1 4.34Å; V195-I213 HydrophobicContact CG1-CG2 4.08Å |
| 196 | D | 93.3 | Very high | 94.9 | Very high | 96 Ų | 96 | 56.8 Ų | 56.8 | 51% | 0.513 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -56.5 | -32.6 | 174.5 | -64.1 | -36.7 | 0 | 0 | 0 | 112 | S194 A198 Y199 I200 | S194-D196 PolarHBondContact O-N 2.97Å; S194-D196 PolarHBondContact OG-OD2 3.21Å; D196-A198 VanDerWaalsContact C-N 3.32Å; D196-A198 PolarHBondContact O-N 2.93Å; D196-Y199 PolarHBondContact O-N 3.4Å; D196-I200 WeakPolarHBondContact O-CB 3.34Å; D196-I200 VanDerWaalsContact O-CG1 3.26Å; D196-I200 WeakPolarHBondContact O-CG1 3.38Å; D196-I200 PolarHBondContact O-N 3.01Å |
| 197 | H | 94.5 | Very high | 94.7 | Very high | 8 Ų | 8 | 57.7 Ų | 57.7 | 4% | 0.037 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59 | -44.5 | 176 | -77.4 | -123.5 | 0 | 0 | 0 | 111.1 | F149 L150 S194 V195 M201 | F149-H197 WeakPolarHBondContact CA-ND1 3.41Å; L150-H197 HydrophobicContact CG-CB 4.35Å; L150-H197 PolarHBondContact N-ND1 3.38Å; L150-H197 VanDerWaalsContact N-ND1 3.19Å; S194-H197 WeakPolarHBondContact O-CB 3.16Å; S194-H197 PolarHBondContact O-N 2.85Å; V195-H197 PolarHBondContact O-N 2.99Å; H197-M201 WeakPolarHBondContact O-CB 3.19Å; H197-M201 PolarHBondContact O-N 3.05Å |
| 198 | A | 95.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.8 | -43.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I184 H186 V195 D196 M201 A202 P211 I213 | I184-A198 HydrophobicContact CG2-CB 3.9Å; H186-A198 HydrophobicContact CB-CB 3.64Å; V195-A198 WeakPolarHBondContact O-CB 3.39Å; V195-A198 PolarHBondContact O-N 3.28Å; D196-A198 VanDerWaalsContact C-N 3.32Å; D196-A198 PolarHBondContact O-N 2.93Å; A198-M201 PolarHBondContact O-N 2.96Å; A198-A202 WeakPolarHBondContact O-CB 3.45Å; A198-A202 PolarHBondContact O-N 3.37Å; A198-P211 HydrophobicContact CB-CB 3.9Å; A198-P211 HydrophobicContact CB-CG 4.38Å; A198-I213 HydrophobicContact CB-CD1 4.24Å |
| 199 | Y | 95.6 | Very high | 94.6 | Very high | 126 Ų | 126 | 57.4 Ų | 57.4 | 49% | 0.494 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.2 | -44 | 177.6 | -73.4 | -71 | 0 | 0 | 0 | 112.6 | V195 D196 K203 P211 I213 | V195-Y199 HydrophobicContact CB-CD2 4.48Å; V195-Y199 HydrophobicContact CB-CE2 4.23Å; V195-Y199 HydrophobicContact CG2-CE2 4.24Å; V195-Y199 WeakPolarHBondContact O-CD2 3.1Å; V195-Y199 PolarHBondContact O-N 2.87Å; D196-Y199 PolarHBondContact O-N 3.4Å; Y199-K203 PolarHBondContact O-N 3.04Å; Y199-K203 VanDerWaalsContact O-N 3.12Å; Y199-P211 HydrophobicContact CD1-CG 3.58Å; Y199-P211 HydrophobicContact CE1-CG 3.76Å; Y199-P211 HydrophobicContact CG-CG 4.12Å; Y199-I213 HydrophobicContact CE2-CD1 4.24Å; Y199-I213 HydrophobicContact CE2-CG1 4.31Å |
| 200 | I | 94.4 | Very high | 94.6 | Very high | 74 Ų | 74 | 58.1 Ų | 58.1 | 38% | 0.379 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.1 | -43 | 176.5 | -64.4 | 166 | 0 | 0 | 0 | 109.6 | L150 D196 A202 K203 E204 | L150-I200 HydrophobicContact CD1-CB 3.96Å; L150-I200 HydrophobicContact CD1-CD1 3.81Å; L150-I200 HydrophobicContact CD1-CG1 4.5Å; L150-I200 HydrophobicContact CD1-CG2 3.83Å; L150-I200 HydrophobicContact CD2-CB 3.91Å; L150-I200 HydrophobicContact CD2-CG2 3.61Å; L150-I200 HydrophobicContact CG-CG2 4.4Å; D196-I200 WeakPolarHBondContact O-CB 3.34Å; D196-I200 VanDerWaalsContact O-CG1 3.26Å; D196-I200 WeakPolarHBondContact O-CG1 3.38Å; D196-I200 PolarHBondContact O-N 3.01Å; I200-A202 PolarHBondContact O-N 2.95Å; I200-K203 PolarHBondContact O-N 2.95Å; I200-E204 HydrophobicContact CG2-CG 4.17Å; I200-E204 WeakPolarHBondContact O-CB 3.36Å; I200-E204 WeakPolarHBondContact O-CG 3.33Å; I200-E204 PolarHBondContact O-N 2.94Å |
| 201 | M | 95.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59 | -45.2 | 177.6 | -168.2 | 67 | 73.1 | 0 | 0 | 112.1 | L145 F149 L150 N171 A175 I184 H197 A198 K203 E204 C205 | L145-M201 HydrophobicContact CD1-CG 4.26Å; F149-M201 WeakPolarHBondContact O-CE 3.48Å; L150-M201 HydrophobicContact CD2-CB 4.33Å; L150-M201 HydrophobicContact CD2-CE 3.94Å; N171-M201 HydrophobicContact CB-CE 3.45Å; N171-M201 VanDerWaalsContact CB-CE 3.45Å; N171-M201 HydrophobicContact CB-SD 4.33Å; A175-M201 HydrophobicContact CB-SD 3.57Å; A175-M201 VanDerWaalsContact CB-SD 3.57Å; I184-M201 HydrophobicContact CD1-CB 4.02Å; I184-M201 HydrophobicContact CD1-CG 3.8Å; H197-M201 WeakPolarHBondContact O-CB 3.19Å; H197-M201 PolarHBondContact O-N 3.05Å; A198-M201 PolarHBondContact O-N 2.96Å; M201-K203 VanDerWaalsContact C-N 3.34Å; M201-K203 PolarHBondContact O-N 3.2Å; M201-E204 CarbonylContact O-C 3.52Å; M201-E204 PolarHBondContact O-N 3.18Å; M201-E204 VanDerWaalsContact O-N 3.17Å; M201-C205 VanDerWaalsContact O-CB 3.28Å; M201-C205 WeakPolarHBondContact O-CB 3.17Å; M201-C205 PolarHBondContact O-N 3.48Å |
| 202 | A | 96.6 | Very high | 95 | Very high | 14 Ų | 14 | 52.9 Ų | 52.9 | 12% | 0.116 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.6 | -42.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | I184 A198 I200 E204 C205 P211 | I184-A202 VanDerWaalsContact CD1-CA 3.47Å; I184-A202 HydrophobicContact CD1-CB 3.84Å; A198-A202 WeakPolarHBondContact O-CB 3.45Å; A198-A202 PolarHBondContact O-N 3.37Å; I200-A202 PolarHBondContact O-N 2.95Å; A202-E204 VanDerWaalsContact C-N 3.28Å; A202-E204 PolarHBondContact O-N 3.42Å; A202-C205 PolarHBondContact O-N 3.28Å; A202-P211 HydrophobicContact CB-CB 4.39Å; A202-P211 HydrophobicContact CB-CG 4.23Å |
| 203 | K | 96.3 | Very high | 95.4 | Very high | 183 Ų | 183 | 50.9 Ų | 50.9 | 80% | 0.796 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -63.2 | -35.4 | 175.9 | -177.2 | 178.3 | 177.7 | -178.4 | 0 | 112.6 | Y199 I200 M201 | Y199-K203 PolarHBondContact O-N 3.04Å; Y199-K203 VanDerWaalsContact O-N 3.12Å; I200-K203 PolarHBondContact O-N 2.95Å; M201-K203 VanDerWaalsContact C-N 3.34Å; M201-K203 PolarHBondContact O-N 3.2Å |
| 204 | E | 95.6 | Very high | 95.7 | Very high | 50 Ų | 50 | 50.4 Ų | 50.4 | 23% | 0.234 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -83.8 | -13.4 | -178.5 | -64.3 | -72 | -168.5 | 0 | 0 | 112.9 | A175 R176 I200 M201 A202 P206 | A175-E204 CarbonylContact C-O 3.53Å; R176-E204 WeakPolarHBondContact CA-O 3.46Å; R176-E204 HydrophobicContact CG-CB 4.25Å; R176-E204 VanDerWaalsContact CG-O 3.3Å; R176-E204 WeakPolarHBondContact CG-O 3.4Å; R176-E204 IonicContact CZ-OE1 3.74Å; R176-E204 IonicContact CZ-OE2 2.86Å; R176-E204 VanDerWaalsContact CZ-OE2 3.29Å; R176-E204 PolarHBondContact N-O 3.43Å; R176-E204 IonicContact NE-OE1 3.73Å; R176-E204 IonicContact NE-OE2 3.8Å; R176-E204 PolarHBondContact NE-OE2 2.88Å; R176-E204 IonicContact NH2-OE1 3.31Å; R176-E204 PolarHBondContact NH2-OE1 3.46Å; R176-E204 IonicContact NH2-OE2 3.01Å; R176-E204 PolarHBondContact NH2-OE2 2.81Å; R176-E204 VanDerWaalsContact NH2-OE2 3.12Å; I200-E204 HydrophobicContact CG2-CG 4.17Å; I200-E204 WeakPolarHBondContact O-CB 3.36Å; I200-E204 WeakPolarHBondContact O-CG 3.33Å; I200-E204 PolarHBondContact O-N 2.94Å; M201-E204 CarbonylContact O-C 3.52Å; M201-E204 PolarHBondContact O-N 3.18Å; M201-E204 VanDerWaalsContact O-N 3.17Å; A202-E204 VanDerWaalsContact C-N 3.28Å; A202-E204 PolarHBondContact O-N 3.42Å; E204-P206 WeakPolarHBondContact O-CD 3.42Å |
| 205 | C | 97.5 | Very high | 95.7 | Very high | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.02 | 28% | 0.276 | C | S | . | . | trans | -104.5 | 104.7 | -175.9 | -172.3 | 0 | 0 | 0 | 0 | 111.6 | A175 M201 A202 G207 S208 | A175-C205 HydrophobicContact CB-CB 4.08Å; M201-C205 VanDerWaalsContact O-CB 3.28Å; M201-C205 WeakPolarHBondContact O-CB 3.17Å; M201-C205 PolarHBondContact O-N 3.48Å; A202-C205 PolarHBondContact O-N 3.28Å; C205-G207 PolarHBondContact O-N 2.82Å; C205-G207 VanDerWaalsContact O-N 3.16Å; C205-S208 WeakPolarHBondContact O-CB 3.35Å; C205-S208 PolarHBondContact O-N 2.59Å | ||
| 206 | P | 97 | Very high | 95.7 | Very high | 89 Ų | 89 | 47.3 Ų | 47.3 | 58% | 0.578 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -30.8 | -177.2 | -24.6 | 33.9 | 0 | 0 | 0 | 114.3 | A175 R176 I178 E204 S208 | A175-P206 WeakPolarHBondContact O-CD 3.47Å; R176-P206 WeakPolarHBondContact O-CG 3.28Å; I178-P206 WeakPolarHBondContact O-CD 3.45Å; E204-P206 WeakPolarHBondContact O-CD 3.42Å; P206-S208 VanDerWaalsContact C-N 3.26Å; P206-S208 PolarHBondContact O-N 2.98Å |
| 207 | G | 94.9 | Very high | 95.9 | Very high | 19 Ų | 19 | 42.7 Ų | 42.7 | 20% | 0.196 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -3.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | I178 S180 P181 T182 C205 | I178-G207 PolarHBondContact O-N 2.85Å; I178-G207 VanDerWaalsContact O-N 3.09Å; S180-G207 WeakPolarHBondContact O-CA 3.47Å; P181-G207 CarbonylContact C-O 3.58Å; P181-G207 WeakPolarHBondContact CA-O 3.5Å; T182-G207 PolarHBondContact N-O 3.16Å; C205-G207 PolarHBondContact O-N 2.82Å; C205-G207 VanDerWaalsContact O-N 3.16Å |
| 208 | S | 97 | Very high | 95.9 | Very high | 25 Ų | 25 | 45.5 Ų | 45.5 | 18% | 0.175 | 26% | 0.261 | C | S | . | . | B | Isolated β-bridge | trans | -98.4 | 146.8 | -174.3 | -158.5 | 0 | 0 | 0 | 0 | 113.5 | T182 I184 C205 P206 | T182-S208 WeakPolarHBondContact O-CA 3.34Å; T182-S208 PolarHBondContact O-OG 3.24Å; I184-S208 WeakPolarHBondContact CD1-OG 3.36Å; C205-S208 WeakPolarHBondContact O-CB 3.35Å; C205-S208 PolarHBondContact O-N 2.59Å; P206-S208 VanDerWaalsContact C-N 3.26Å; P206-S208 PolarHBondContact O-N 2.98Å |
| 209 | G | 94 | Very high | 95.9 | Very high | 42 Ų | 42 | 46 Ų | 46 | 43% | 0.433 | 26% | 0.264 | S | S | . | . | trans | -86.9 | -165.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 210 | P | 95.9 | Very high | 95.7 | Very high | 117 Ų | 117 | 44.5 Ų | 44.5 | 76% | 0.76 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -55.8 | 142.3 | 167.7 | -23 | 34.2 | 0 | 0 | 0 | 111.2 | ||
| 211 | P | 97.3 | Very high | 95.6 | Very high | 19 Ų | 19 | 41.9 Ų | 41.9 | 12% | 0.123 | 25% | 0.252 | C | S | . | . | trans | -67.1 | 150 | 175.4 | 31.9 | -34.8 | 0 | 0 | 0 | 110 | I184 A198 Y199 A202 I213 | I184-P211 HydrophobicContact CB-CB 4.14Å; I184-P211 HydrophobicContact CG2-CB 4.02Å; A198-P211 HydrophobicContact CB-CB 3.9Å; A198-P211 HydrophobicContact CB-CG 4.38Å; Y199-P211 HydrophobicContact CD1-CG 3.58Å; Y199-P211 HydrophobicContact CE1-CG 3.76Å; Y199-P211 HydrophobicContact CG-CG 4.12Å; A202-P211 HydrophobicContact CB-CB 4.39Å; A202-P211 HydrophobicContact CB-CG 4.23Å; P211-I213 HydrophobicContact CB-CD1 4.39Å; P211-I213 HydrophobicContact CG-CD1 4.45Å | ||
| 212 | V | 97.8 | Very high | 95.6 | Very high | 49 Ų | 49 | 41.9 Ų | 41.9 | 30% | 0.297 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 113.8 | 174.1 | 179.2 | 0 | 0 | 0 | 0 | 108.4 | L183 I184 L185 H186 I214 A231 | L183-V212 HydrophobicContact CD1-CG2 3.87Å; I184-V212 PolarHBondContact O-N 3.07Å; L185-V212 WeakPolarHBondContact CA-O 3.39Å; L185-V212 HydrophobicContact CD2-CB 3.89Å; L185-V212 HydrophobicContact CD2-CG1 4.07Å; H186-V212 PolarHBondContact N-O 3.17Å; H186-V212 VanDerWaalsContact N-O 3.08Å; V212-I214 HydrophobicContact CG1-CD1 3.79Å; V212-A231 HydrophobicContact CB-CB 4.44Å; V212-A231 HydrophobicContact CG1-CB 3.87Å; V212-A231 HydrophobicContact CG2-CB 4.36Å |
| 213 | I | 97.8 | Very high | 95.3 | Very high | 48 Ų | 48 | 43.6 Ų | 43.6 | 25% | 0.246 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 120.2 | 177.6 | -50.7 | -55 | 0 | 0 | 0 | 109 | H186 N188 V195 A198 Y199 P211 | H186-I213 HydrophobicContact CB-CD1 4Å; H186-I213 CarbonylContact O-C 3.54Å; H186-I213 VanDerWaalsContact O-CA 3.28Å; H186-I213 WeakPolarHBondContact O-CA 3.39Å; N188-I213 HydrophobicContact CB-CG2 3.71Å; V195-I213 HydrophobicContact CB-CD1 4.32Å; V195-I213 HydrophobicContact CG1-CD1 4.34Å; V195-I213 HydrophobicContact CG1-CG2 4.08Å; A198-I213 HydrophobicContact CB-CD1 4.24Å; Y199-I213 HydrophobicContact CE2-CD1 4.24Å; Y199-I213 HydrophobicContact CE2-CG1 4.31Å; P211-I213 HydrophobicContact CB-CD1 4.39Å; P211-I213 HydrophobicContact CG-CD1 4.45Å |
| 214 | I | 96.7 | Very high | 95 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 114.4 | -179.5 | -51.5 | -56.8 | 0 | 0 | 0 | 108.4 | L185 H186 N188 V212 A217 L222 K225 F228 | L185-I214 HydrophobicContact CD2-CD1 4.09Å; L185-I214 HydrophobicContact CD2-CG1 4.46Å; H186-I214 PolarHBondContact O-N 3.13Å; N188-I214 PolarHBondContact N-O 3.21Å; N188-I214 PolarHBondContact OD1-O 3.15Å; V212-I214 HydrophobicContact CG1-CD1 3.79Å; I214-A217 HydrophobicContact CB-CB 4Å; I214-A217 HydrophobicContact CG2-CB 3.73Å; I214-L222 HydrophobicContact CB-CG 4.48Å; I214-L222 HydrophobicContact CG1-CD2 4.29Å; I214-L222 HydrophobicContact CG1-CG 4.34Å; I214-K225 HydrophobicContact CG2-CB 3.62Å; I214-K225 HydrophobicContact CG2-CG 3.75Å; I214-F228 HydrophobicContact CD1-CB 4.18Å; I214-F228 HydrophobicContact CG1-CB 4.35Å |
| 215 | A | 93.6 | Very high | 94.8 | Very high | 15 Ų | 15 | 38.2 Ų | 38.2 | 12% | 0.124 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | 143.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | N188 A217 E274 Y275 | N188-A215 WeakPolarHBondContact OD1-CA 3.49Å; A215-A217 PolarHBondContact O-N 2.82Å; A215-E274 WeakPolarHBondContact CB-O 3.4Å; A215-Y275 HydrophobicContact CB-CD1 3.85Å; A215-Y275 HydrophobicContact CB-CE1 3.63Å; A215-Y275 PolarHBondContact O-OH 2.76Å |
| 216 | G | 94.2 | Very high | 94.5 | Very high | 14 Ų | 14 | 41.1 Ų | 41.1 | 14% | 0.144 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 4.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | N188 K225 E274 | N188-G216 PolarHBondContact OD1-N 2.78Å; G216-K225 WeakPolarHBondContact O-CE 3.4Å; G216-K225 PolarHBondContact O-NZ 3.03Å; G216-E274 VanDerWaalsContact CA-OE1 3.28Å; G216-E274 WeakPolarHBondContact CA-OE1 3.24Å |
| 217 | A | 95.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -96.3 | 132.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111 | G187 N188 M189 I214 A215 L222 K225 | G187-A217 CarbonylContact C-O 3.52Å; G187-A217 VanDerWaalsContact C-O 3.31Å; G187-A217 WeakPolarHBondContact CA-O 3.38Å; N188-A217 PolarHBondContact N-O 2.77Å; M189-A217 WeakPolarHBondContact CA-O 3.14Å; M189-A217 WeakPolarHBondContact CB-O 3.49Å; M189-A217 PolarHBondContact N-O 2.89Å; I214-A217 HydrophobicContact CB-CB 4Å; I214-A217 HydrophobicContact CG2-CB 3.73Å; A215-A217 PolarHBondContact O-N 2.82Å; A217-L222 HydrophobicContact CB-CD1 4.02Å; A217-L222 HydrophobicContact CB-CG 4.06Å; A217-K225 HydrophobicContact CB-CG 4.04Å | ||
| 218 | D | 95 | Very high | 94.2 | Very high | 67 Ų | 67 | 38.3 Ų | 38.3 | 36% | 0.358 | 22% | 0.223 | S | C | . | . | trans | -85.6 | -159.3 | 167.9 | 60.3 | 52.8 | 0 | 0 | 0 | 110.7 | D220 S221 L222 | D218-D220 PolarHBondContact OD1-N 2.82Å; D218-S221 PolarHBondContact N-OG 2.75Å; D218-S221 WeakPolarHBondContact OD1-CB 3.4Å; D218-S221 PolarHBondContact OD1-N 3.41Å; D218-S221 PolarHBondContact OD1-OG 2.81Å; D218-S221 WeakPolarHBondContact OD2-CB 3.45Å; D218-S221 PolarHBondContact OD2-OG 3.03Å; D218-L222 WeakPolarHBondContact O-CD1 3.2Å | ||
| 219 | H | 94.7 | Very high | 94 | Very high | 11 Ų | 11 | 38.8 Ų | 38.8 | 5% | 0.051 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -66.7 | -35.7 | -178.3 | -166.5 | 65.1 | 0 | 0 | 0 | 113.6 | S125 S147 D190 M192 F193 | S125-H219 WeakPolarHBondContact CB-NE2 3.42Å; S125-H219 PolarHBondContact OG-CE1 2.88Å; S125-H219 PolarHBondContact OG-NE2 2.8Å; S147-H219 VanDerWaalsContact CB-CE1 3.47Å; S147-H219 WeakPolarHBondContact CB-CE1 3.4Å; S147-H219 PolarHBondContact OG-O 3.46Å; S147-H219 VanDerWaalsContact OG-O 3.09Å; D190-H219 WeakPolarHBondContact OD1-CB 3.17Å; D190-H219 IonicContact OD1-CG 3.55Å; D190-H219 IonicContact OD1-ND1 3.71Å; D190-H219 PolarHBondContact OD1-ND1 3.01Å; D190-H219 IonicContact OD2-CE1 3.25Å; D190-H219 IonicContact OD2-CG 2.92Å; D190-H219 IonicContact OD2-ND1 3.78Å; D190-H219 PolarHBondContact OD2-ND1 3.47Å; M192-H219 HydrophobicContact CB-CB 4.42Å; F193-H219 AromaticContact CD2-CE1 3.33Å; F193-H219 WeakPolarHBondContact CD2-CE1 3.4Å; F193-H219 AromaticContact CD2-ND1 3.72Å; F193-H219 AromaticContact CE2-CE1 3.36Å; F193-H219 WeakPolarHBondContact CE2-CE1 3.26Å; F193-H219 AromaticContact CE2-NE2 4Å |
| 220 | D | 91.9 | Very high | 93.9 | Very high | 93 Ų | 93 | 38.5 Ų | 38.5 | 50% | 0.497 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -110.6 | -15.2 | -167.2 | -61.1 | -51.5 | 0 | 0 | 0 | 112.3 | M124 D218 H223 | M124-D220 VanDerWaalsContact CE-OD1 3.29Å; M124-D220 WeakPolarHBondContact CE-OD1 3.48Å; D218-D220 PolarHBondContact OD1-N 2.82Å; D220-H223 PolarHBondContact O-CE1 2.82Å; D220-H223 PolarHBondContact O-ND1 3.31Å; D220-H223 VanDerWaalsContact O-ND1 3.07Å |
| 221 | S | 93.6 | Very high | 93.9 | Very high | 20 Ų | 20 | 33.6 Ų | 33.6 | 14% | 0.14 | 18% | 0.179 | C | C | . | . | trans | -95.1 | 6.3 | -174.4 | 63.1 | 0 | 0 | 0 | 0 | 116 | D218 H223 T224 | D218-S221 PolarHBondContact N-OG 2.75Å; D218-S221 WeakPolarHBondContact OD1-CB 3.4Å; D218-S221 PolarHBondContact OD1-N 3.41Å; D218-S221 PolarHBondContact OD1-OG 2.81Å; D218-S221 WeakPolarHBondContact OD2-CB 3.45Å; D218-S221 PolarHBondContact OD2-OG 3.03Å; S221-H223 VanDerWaalsContact C-N 3.33Å; S221-H223 PolarHBondContact O-N 2.92Å; S221-T224 WeakPolarHBondContact O-CB 3.29Å; S221-T224 PolarHBondContact O-N 2.59Å; S221-T224 PolarHBondContact O-OG1 2.87Å | ||
| 222 | L | 94 | Very high | 93.8 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -54 | -47.4 | -178.5 | -85.8 | 76 | 0 | 0 | 0 | 112.7 | Q146 S147 L185 I214 A217 D218 T224 K225 F228 | Q146-L222 HydrophobicContact CG-CD2 3.99Å; S147-L222 WeakPolarHBondContact OG-CD1 3.46Å; L185-L222 HydrophobicContact CB-CD2 4.06Å; I214-L222 HydrophobicContact CB-CG 4.48Å; I214-L222 HydrophobicContact CG1-CD2 4.29Å; I214-L222 HydrophobicContact CG1-CG 4.34Å; A217-L222 HydrophobicContact CB-CD1 4.02Å; A217-L222 HydrophobicContact CB-CG 4.06Å; D218-L222 WeakPolarHBondContact O-CD1 3.2Å; L222-T224 PolarHBondContact O-N 2.76Å; L222-T224 VanDerWaalsContact O-N 3.12Å; L222-K225 PolarHBondContact O-N 2.71Å; L222-F228 HydrophobicContact CB-CD2 3.69Å; L222-F228 HydrophobicContact CB-CE2 3.83Å; L222-F228 HydrophobicContact CB-CG 4.43Å; L222-F228 HydrophobicContact CD2-CD2 4.23Å; L222-F228 HydrophobicContact CD2-CE2 4.3Å; L222-F228 HydrophobicContact CG-CD2 4.44Å; L222-F228 WeakPolarHBondContact O-CB 3.25Å; L222-F228 WeakPolarHBondContact O-CG 3.42Å |
| 223 | H | 91 | Very high | 93.6 | Very high | 49 Ų | 49 | 32.1 Ų | 32.1 | 23% | 0.227 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -62.5 | -18.7 | -177.7 | 67.7 | -82.5 | 0 | 0 | 0 | 113.4 | E68 D220 S221 K225 F228 W229 | E68-H223 IonicContact OE2-CD2 3.58Å; E68-H223 PolarHBondContact OE2-CD2 2.92Å; D220-H223 PolarHBondContact O-CE1 2.82Å; D220-H223 PolarHBondContact O-ND1 3.31Å; D220-H223 VanDerWaalsContact O-ND1 3.07Å; S221-H223 VanDerWaalsContact C-N 3.33Å; S221-H223 PolarHBondContact O-N 2.92Å; H223-K225 VanDerWaalsContact C-N 3.31Å; H223-F228 HydrophobicContact CB-CD1 4.42Å; H223-F228 HydrophobicContact CB-CE1 3.95Å; H223-F228 HydrophobicContact CB-CZ 4.25Å; H223-W229 PolarHBondContact O-NE1 3.14Å |
| 224 | T | 90.5 | Very high | 93.4 | Very high | 76 Ų | 76 | 36.3 Ų | 36.3 | 47% | 0.466 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -78.9 | -15.1 | 177.3 | 73.8 | 0 | 0 | 0 | 0 | 113.2 | S221 L222 | S221-T224 WeakPolarHBondContact O-CB 3.29Å; S221-T224 PolarHBondContact O-N 2.59Å; S221-T224 PolarHBondContact O-OG1 2.87Å; L222-T224 PolarHBondContact O-N 2.76Å; L222-T224 VanDerWaalsContact O-N 3.12Å |
| 225 | K | 91.6 | Very high | 93.4 | Very high | 45 Ų | 45 | 36.9 Ų | 36.9 | 20% | 0.196 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -94.3 | 136.7 | -173.5 | -55.4 | -60.4 | -175.8 | 164.6 | 0 | 111.3 | I214 G216 A217 L222 H223 Y227 F228 | I214-K225 HydrophobicContact CG2-CB 3.62Å; I214-K225 HydrophobicContact CG2-CG 3.75Å; G216-K225 WeakPolarHBondContact O-CE 3.4Å; G216-K225 PolarHBondContact O-NZ 3.03Å; A217-K225 HydrophobicContact CB-CG 4.04Å; L222-K225 PolarHBondContact O-N 2.71Å; H223-K225 VanDerWaalsContact C-N 3.31Å; K225-Y227 VanDerWaalsContact C-N 3.33Å; K225-Y227 PolarHBondContact O-N 2.99Å; K225-F228 VanDerWaalsContact O-CB 3.3Å; K225-F228 WeakPolarHBondContact O-CB 3.49Å; K225-F228 PolarHBondContact O-N 2.84Å; K225-F228 VanDerWaalsContact O-N 3.14Å |
| 226 | Y | 89.8 | Confident | 93.5 | Very high | 63 Ų | 63 | 36.5 Ų | 36.5 | 25% | 0.247 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.3 | -44 | 178.5 | 173.9 | -108.1 | 0 | 0 | 0 | 113.4 | V4 F228 W229 L230 F270 | V4-Y226 HydrophobicContact CB-CD2 4.34Å; V4-Y226 HydrophobicContact CB-CE2 4.13Å; V4-Y226 HydrophobicContact CG1-CD2 3.65Å; V4-Y226 HydrophobicContact CG1-CE2 3.67Å; V4-Y226 HydrophobicContact CG2-CD2 3.71Å; V4-Y226 HydrophobicContact CG2-CE2 3.32Å; Y226-F228 PolarHBondContact O-N 2.85Å; Y226-W229 PolarHBondContact O-N 3.02Å; Y226-L230 HydrophobicContact CE1-CB 4.47Å; Y226-L230 HydrophobicContact CE1-CD2 4.08Å; Y226-L230 PolarHBondContact O-N 2.88Å; Y226-F270 HydrophobicContact CD1-CE1 4.22Å; Y226-F270 HydrophobicContact CD1-CZ 4.4Å |
| 227 | Y | 90.6 | Very high | 93.5 | Very high | 48 Ų | 48 | 37.5 Ų | 37.5 | 19% | 0.188 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.9 | -20.8 | -177.6 | -73.6 | -74.3 | 0 | 0 | 0 | 113.9 | K225 L230 A231 F270 Y275 F278 | K225-Y227 VanDerWaalsContact C-N 3.33Å; K225-Y227 PolarHBondContact O-N 2.99Å; Y227-L230 HydrophobicContact CD1-CD2 4.06Å; Y227-L230 HydrophobicContact CE1-CD2 4.31Å; Y227-A231 WeakPolarHBondContact O-CB 3.37Å; Y227-A231 PolarHBondContact O-N 2.94Å; Y227-A231 VanDerWaalsContact O-N 3.07Å; Y227-F270 AromaticContact CE2-CD1 4Å; Y227-F270 HydrophobicContact CE2-CD1 4Å; Y227-F270 AromaticContact CE2-CE1 3.89Å; Y227-F270 HydrophobicContact CE2-CE1 3.89Å; Y227-Y275 AromaticContact CD2-CD1 3.7Å; Y227-Y275 HydrophobicContact CD2-CD1 3.7Å; Y227-Y275 AromaticContact CD2-CE1 3.22Å; Y227-Y275 HydrophobicContact CD2-CE1 3.22Å; Y227-Y275 AromaticContact CD2-CZ 3.87Å; Y227-Y275 AromaticContact CE2-CD1 3.5Å; Y227-Y275 HydrophobicContact CE2-CD1 3.5Å; Y227-Y275 VanDerWaalsContact CE2-CD1 3.5Å; Y227-Y275 AromaticContact CE2-CE1 3.47Å; Y227-Y275 HydrophobicContact CE2-CE1 3.47Å; Y227-Y275 VanDerWaalsContact CE2-CE1 3.47Å; Y227-Y275 HydrophobicContact CE2-CG 4.08Å; Y227-Y275 HydrophobicContact CG-CE1 4.25Å; Y227-F278 HydrophobicContact CD1-CE2 4.48Å; Y227-F278 AromaticContact CE1-CE2 3.55Å; Y227-F278 HydrophobicContact CE1-CE2 3.55Å; Y227-F278 AromaticContact CE1-CZ 3.78Å; Y227-F278 HydrophobicContact CE1-CZ 3.78Å; Y227-F278 AromaticContact CZ-CE2 3.63Å; Y227-F278 WeakPolarHBondContact OH-CE2 3.44Å |
| 228 | F | 94.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.1 | -54 | 172.2 | 170.1 | -93 | 0 | 0 | 0 | 110.6 | W122 Q146 L185 I214 L222 H223 K225 Y226 L230 A231 V232 | W122-F228 HydrophobicContact CH2-CZ 4.4Å; W122-F228 HydrophobicContact CZ2-CE1 4.21Å; W122-F228 AromaticContact CZ2-CZ 3.7Å; W122-F228 HydrophobicContact CZ2-CZ 3.7Å; Q146-F228 HydrophobicContact CG-CE2 4.16Å; L185-F228 HydrophobicContact CB-CE2 4.49Å; L185-F228 HydrophobicContact CD1-CD2 3.91Å; L185-F228 HydrophobicContact CD1-CE2 3.69Å; L185-F228 HydrophobicContact CD1-CZ 4.48Å; L185-F228 HydrophobicContact CD2-CD2 4.32Å; L185-F228 HydrophobicContact CG-CD2 4.48Å; I214-F228 HydrophobicContact CD1-CB 4.18Å; I214-F228 HydrophobicContact CG1-CB 4.35Å; L222-F228 HydrophobicContact CB-CD2 3.69Å; L222-F228 HydrophobicContact CB-CE2 3.83Å; L222-F228 HydrophobicContact CB-CG 4.43Å; L222-F228 HydrophobicContact CD2-CD2 4.23Å; L222-F228 HydrophobicContact CD2-CE2 4.3Å; L222-F228 HydrophobicContact CG-CD2 4.44Å; L222-F228 WeakPolarHBondContact O-CB 3.25Å; L222-F228 WeakPolarHBondContact O-CG 3.42Å; H223-F228 HydrophobicContact CB-CD1 4.42Å; H223-F228 HydrophobicContact CB-CE1 3.95Å; H223-F228 HydrophobicContact CB-CZ 4.25Å; K225-F228 VanDerWaalsContact O-CB 3.3Å; K225-F228 WeakPolarHBondContact O-CB 3.49Å; K225-F228 PolarHBondContact O-N 2.84Å; K225-F228 VanDerWaalsContact O-N 3.14Å; Y226-F228 PolarHBondContact O-N 2.85Å; F228-L230 VanDerWaalsContact C-N 3.34Å; F228-L230 PolarHBondContact O-N 3.07Å; F228-A231 WeakPolarHBondContact O-CB 2.96Å; F228-A231 PolarHBondContact O-N 2.91Å; F228-A231 VanDerWaalsContact O-N 3.15Å; F228-V232 HydrophobicContact CE1-CG2 4.47Å; F228-V232 WeakPolarHBondContact O-CG2 3.32Å; F228-V232 PolarHBondContact O-N 2.95Å |
| 229 | W | 93.7 | Very high | 93.5 | Very high | 36 Ų | 36 | 48.1 Ų | 48.1 | 14% | 0.136 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.7 | -41.9 | 178.6 | -68.5 | 105.1 | 0 | 0 | 0 | 111.8 | E68 I69 L73 H223 Y226 A231 V232 E233 | E68-W229 HydrophobicContact CG-CH2 4.32Å; E68-W229 HydrophobicContact CG-CZ2 3.9Å; I69-W229 HydrophobicContact CB-CH2 4.39Å; I69-W229 HydrophobicContact CG1-CH2 3.88Å; L73-W229 HydrophobicContact CD1-CZ3 4.28Å; L73-W229 HydrophobicContact CD2-CE3 4.2Å; L73-W229 HydrophobicContact CD2-CZ3 4.17Å; L73-W229 HydrophobicContact CG-CZ3 4.05Å; H223-W229 PolarHBondContact O-NE1 3.14Å; Y226-W229 PolarHBondContact O-N 3.02Å; W229-A231 VanDerWaalsContact C-N 3.26Å; W229-A231 PolarHBondContact O-N 3.25Å; W229-V232 PolarHBondContact O-N 3.2Å; W229-V232 VanDerWaalsContact O-N 3.16Å; W229-E233 WeakPolarHBondContact O-CG 3.5Å; W229-E233 PolarHBondContact O-N 3Å |
| 230 | L | 92.6 | Very high | 93.6 | Very high | 36 Ų | 36 | 48.3 Ų | 48.3 | 19% | 0.188 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.7 | -38.4 | 175.8 | -176.1 | 63.8 | 0 | 0 | 0 | 112.3 | Y226 Y227 F228 K234 | Y226-L230 HydrophobicContact CE1-CB 4.47Å; Y226-L230 HydrophobicContact CE1-CD2 4.08Å; Y226-L230 PolarHBondContact O-N 2.88Å; Y227-L230 HydrophobicContact CD1-CD2 4.06Å; Y227-L230 HydrophobicContact CE1-CD2 4.31Å; F228-L230 VanDerWaalsContact C-N 3.34Å; F228-L230 PolarHBondContact O-N 3.07Å; L230-K234 HydrophobicContact CD1-CD 4.44Å; L230-K234 HydrophobicContact CG-CD 4.27Å; L230-K234 WeakPolarHBondContact O-CB 3.25Å; L230-K234 VanDerWaalsContact O-CG 3.24Å; L230-K234 WeakPolarHBondContact O-CG 3.49Å; L230-K234 PolarHBondContact O-N 2.92Å |
| 231 | A | 94.4 | Very high | 93.6 | Very high | 14 Ų | 14 | 46.8 Ų | 46.8 | 12% | 0.116 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.9 | -42.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L185 V212 Y227 F228 W229 F235 | L185-A231 HydrophobicContact CD2-CB 3.86Å; V212-A231 HydrophobicContact CB-CB 4.44Å; V212-A231 HydrophobicContact CG1-CB 3.87Å; V212-A231 HydrophobicContact CG2-CB 4.36Å; Y227-A231 WeakPolarHBondContact O-CB 3.37Å; Y227-A231 PolarHBondContact O-N 2.94Å; Y227-A231 VanDerWaalsContact O-N 3.07Å; F228-A231 WeakPolarHBondContact O-CB 2.96Å; F228-A231 PolarHBondContact O-N 2.91Å; F228-A231 VanDerWaalsContact O-N 3.15Å; W229-A231 VanDerWaalsContact C-N 3.26Å; W229-A231 PolarHBondContact O-N 3.25Å; A231-F235 WeakPolarHBondContact O-CB 3.26Å; A231-F235 PolarHBondContact O-N 3.07Å |
| 232 | V | 95.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.8 | -52.5 | 175.5 | 174.1 | 0 | 0 | 0 | 0 | 110.6 | L73 W122 I144 L183 L185 F228 W229 K234 F235 L236 | L73-V232 HydrophobicContact CD1-CG1 3.96Å; L73-V232 HydrophobicContact CD2-CG1 3.97Å; W122-V232 HydrophobicContact CH2-CB 4.43Å; W122-V232 HydrophobicContact CH2-CG1 3.81Å; W122-V232 HydrophobicContact CH2-CG2 3.77Å; W122-V232 HydrophobicContact CZ2-CG2 4.28Å; W122-V232 HydrophobicContact CZ3-CG1 3.85Å; I144-V232 HydrophobicContact CD1-CG1 4.26Å; L183-V232 HydrophobicContact CD2-CG2 4.21Å; L185-V232 HydrophobicContact CD1-CG2 3.8Å; F228-V232 HydrophobicContact CE1-CG2 4.47Å; F228-V232 WeakPolarHBondContact O-CG2 3.32Å; F228-V232 PolarHBondContact O-N 2.95Å; W229-V232 PolarHBondContact O-N 3.2Å; W229-V232 VanDerWaalsContact O-N 3.16Å; V232-K234 VanDerWaalsContact C-N 3.34Å; V232-K234 PolarHBondContact O-N 2.61Å; V232-F235 WeakPolarHBondContact O-CB 3.45Å; V232-F235 PolarHBondContact O-N 3.3Å; V232-F235 VanDerWaalsContact O-N 3.12Å; V232-L236 HydrophobicContact CG1-CD1 3.99Å; V232-L236 HydrophobicContact CG1-CG 4.34Å; V232-L236 WeakPolarHBondContact O-CG 3.4Å; V232-L236 PolarHBondContact O-N 3.28Å |
| 233 | E | 94 | Very high | 92.4 | Very high | 37 Ų | 37 | 51.9 Ų | 51.9 | 17% | 0.173 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.4 | -42.9 | 179.5 | -70.9 | -174.2 | 130.6 | 0 | 0 | 112 | L73 W229 F235 L236 A237 V245 | L73-E233 HydrophobicContact CD2-CG 4.3Å; W229-E233 WeakPolarHBondContact O-CG 3.5Å; W229-E233 PolarHBondContact O-N 3Å; E233-F235 VanDerWaalsContact C-N 3.33Å; E233-F235 PolarHBondContact O-N 3.45Å; E233-L236 PolarHBondContact O-N 2.7Å; E233-A237 VanDerWaalsContact O-CB 3.3Å; E233-A237 WeakPolarHBondContact O-CB 3.44Å; E233-A237 PolarHBondContact O-N 3.11Å; E233-V245 PolarHBondContact OE1-N 3.14Å |
| 234 | K | 94 | Very high | 91.1 | Very high | 135 Ų | 135 | 51.5 Ų | 51.5 | 59% | 0.587 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -62.1 | -40.2 | 175.8 | -79.5 | 176.7 | 178.3 | 174.7 | 0 | 112.4 | L230 V232 R238 | L230-K234 HydrophobicContact CD1-CD 4.44Å; L230-K234 HydrophobicContact CG-CD 4.27Å; L230-K234 WeakPolarHBondContact O-CB 3.25Å; L230-K234 VanDerWaalsContact O-CG 3.24Å; L230-K234 WeakPolarHBondContact O-CG 3.49Å; L230-K234 PolarHBondContact O-N 2.92Å; V232-K234 VanDerWaalsContact C-N 3.34Å; V232-K234 PolarHBondContact O-N 2.61Å; K234-R238 VanDerWaalsContact O-CB 3.22Å; K234-R238 WeakPolarHBondContact O-CB 3.48Å; K234-R238 PolarHBondContact O-N 3.35Å |
| 235 | F | 96.4 | Very high | 89.8 | Confident | 15 Ų | 15 | 49.2 Ų | 49.2 | 7% | 0.066 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.8 | -47.1 | 176.4 | 171 | -104.3 | 0 | 0 | 0 | 111.1 | I144 P181 L183 A231 V232 E233 R238 H239 M240 | I144-F235 HydrophobicContact CD1-CD1 4.21Å; I144-F235 HydrophobicContact CD1-CE1 4.25Å; I144-F235 HydrophobicContact CG1-CD1 4.07Å; I144-F235 HydrophobicContact CG1-CE1 3.79Å; P181-F235 HydrophobicContact CB-CE2 3.93Å; P181-F235 HydrophobicContact CB-CZ 4.11Å; P181-F235 WeakPolarHBondContact O-CZ 3.29Å; L183-F235 HydrophobicContact CB-CB 4.35Å; L183-F235 HydrophobicContact CB-CD1 4.03Å; L183-F235 HydrophobicContact CB-CD2 3.73Å; L183-F235 HydrophobicContact CB-CE1 4.23Å; L183-F235 HydrophobicContact CB-CE2 3.95Å; L183-F235 HydrophobicContact CB-CG 3.77Å; L183-F235 HydrophobicContact CB-CZ 4.19Å; L183-F235 HydrophobicContact CD2-CB 3.82Å; L183-F235 HydrophobicContact CD2-CD1 4.27Å; L183-F235 HydrophobicContact CD2-CG 4.05Å; L183-F235 HydrophobicContact CG-CB 4.48Å; L183-F235 HydrophobicContact CG-CG 4.41Å; A231-F235 WeakPolarHBondContact O-CB 3.26Å; A231-F235 PolarHBondContact O-N 3.07Å; V232-F235 WeakPolarHBondContact O-CB 3.45Å; V232-F235 PolarHBondContact O-N 3.3Å; V232-F235 VanDerWaalsContact O-N 3.12Å; E233-F235 VanDerWaalsContact C-N 3.33Å; E233-F235 PolarHBondContact O-N 3.45Å; F235-R238 PolarHBondContact O-N 2.98Å; F235-H239 AromaticContact CD2-CD2 3.46Å; F235-H239 VanDerWaalsContact CD2-CD2 3.46Å; F235-H239 WeakPolarHBondContact CD2-CD2 3.36Å; F235-H239 AromaticContact CE2-CD2 3.56Å; F235-H239 PolarHBondContact O-CD2 3.39Å; F235-H239 PolarHBondContact O-N 3.43Å; F235-M240 HydrophobicContact CE1-CE 3.77Å; F235-M240 HydrophobicContact CE1-SD 4.48Å; F235-M240 HydrophobicContact CZ-CE 4.01Å |
| 236 | L | 96 | Very high | 87.9 | Confident | 6 Ų | 6 | 50 Ų | 50 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.2 | -42.5 | 178.2 | -65.3 | -178.8 | 0 | 0 | 0 | 112.5 | L73 L75 I120 V232 E233 R238 M240 G241 L242 | L73-L236 HydrophobicContact CD1-CD1 4.09Å; L73-L236 HydrophobicContact CD2-CD1 4.04Å; L73-L236 HydrophobicContact CG-CD1 4.49Å; L75-L236 HydrophobicContact CD1-CD1 4.24Å; I120-L236 HydrophobicContact CD1-CD2 3.73Å; V232-L236 HydrophobicContact CG1-CD1 3.99Å; V232-L236 HydrophobicContact CG1-CG 4.34Å; V232-L236 WeakPolarHBondContact O-CG 3.4Å; V232-L236 PolarHBondContact O-N 3.28Å; E233-L236 PolarHBondContact O-N 2.7Å; L236-R238 PolarHBondContact O-N 2.93Å; L236-M240 HydrophobicContact CB-SD 4.47Å; L236-M240 HydrophobicContact CD2-CE 4.28Å; L236-M240 HydrophobicContact CD2-SD 3.71Å; L236-M240 CarbonylContact O-C 3.59Å; L236-M240 WeakPolarHBondContact O-CA 3.07Å; L236-M240 VanDerWaalsContact O-CB 3.31Å; L236-M240 WeakPolarHBondContact O-CB 3.32Å; L236-M240 PolarHBondContact O-N 2.8Å; L236-G241 PolarHBondContact O-N 3.24Å; L236-L242 HydrophobicContact CB-CB 4.16Å; L236-L242 HydrophobicContact CB-CD1 4.19Å; L236-L242 HydrophobicContact CD1-CD1 4.39Å; L236-L242 PolarHBondContact O-N 2.81Å |
| 237 | A | 94.4 | Very high | 85.8 | Confident | 35 Ų | 35 | 50.3 Ų | 50.3 | 29% | 0.289 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.9 | -46.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | E233 G241 L242 | E233-A237 VanDerWaalsContact O-CB 3.3Å; E233-A237 WeakPolarHBondContact O-CB 3.44Å; E233-A237 PolarHBondContact O-N 3.11Å; A237-G241 WeakPolarHBondContact O-CA 3.19Å; A237-G241 PolarHBondContact O-N 2.98Å; A237-L242 WeakPolarHBondContact CA-O 3.4Å; A237-L242 VanDerWaalsContact CB-O 3.26Å; A237-L242 WeakPolarHBondContact CB-O 3.38Å; A237-L242 PolarHBondContact N-O 3.5Å |
| 238 | R | 94.7 | Very high | 83.7 | Confident | 209 Ų | 209 | 51 Ų | 51 | 79% | 0.789 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -66 | -41 | -177 | -179.9 | 176.6 | -179.6 | 170.1 | -0.1 | 113.1 | K234 F235 L236 | K234-R238 VanDerWaalsContact O-CB 3.22Å; K234-R238 WeakPolarHBondContact O-CB 3.48Å; K234-R238 PolarHBondContact O-N 3.35Å; F235-R238 PolarHBondContact O-N 2.98Å; L236-R238 PolarHBondContact O-N 2.93Å |
| 239 | H | 96.2 | Very high | 81.3 | Confident | 82 Ų | 82 | 53.7 Ų | 53.7 | 38% | 0.38 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -105.7 | -21.2 | -169 | -67.9 | -70.5 | 0 | 0 | 0 | 114.2 | P181 F235 | P181-H239 HydrophobicContact CB-CB 4.04Å; P181-H239 HydrophobicContact CG-CB 4.19Å; F235-H239 AromaticContact CD2-CD2 3.46Å; F235-H239 VanDerWaalsContact CD2-CD2 3.46Å; F235-H239 WeakPolarHBondContact CD2-CD2 3.36Å; F235-H239 AromaticContact CE2-CD2 3.56Å; F235-H239 PolarHBondContact O-CD2 3.39Å; F235-H239 PolarHBondContact O-N 3.43Å |
| 240 | M | 95.1 | Very high | 78.9 | Confident | 15 Ų | 15 | 60.1 Ų | 60.1 | 7% | 0.074 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -123.1 | -4.5 | -176.6 | -59.7 | 87 | -178.8 | 0 | 0 | 113.4 | Y47 I120 A141 G142 F235 L236 L242 | Y47-M240 HydrophobicContact CD2-CB 4.4Å; Y47-M240 HydrophobicContact CE1-CB 4.24Å; Y47-M240 HydrophobicContact CE1-CG 4.07Å; Y47-M240 HydrophobicContact CE2-CB 3.69Å; Y47-M240 HydrophobicContact CE2-CG 4.33Å; Y47-M240 PolarHBondContact OH-O 3.07Å; I120-M240 HydrophobicContact CG1-CE 4.39Å; A141-M240 VanDerWaalsContact C-CE 3.42Å; A141-M240 HydrophobicContact CB-CE 4.25Å; A141-M240 HydrophobicContact CB-CG 4.3Å; A141-M240 WeakPolarHBondContact O-CE 3.41Å; G142-M240 VanDerWaalsContact CA-CE 3.46Å; F235-M240 HydrophobicContact CE1-CE 3.77Å; F235-M240 HydrophobicContact CE1-SD 4.48Å; F235-M240 HydrophobicContact CZ-CE 4.01Å; L236-M240 HydrophobicContact CB-SD 4.47Å; L236-M240 HydrophobicContact CD2-CE 4.28Å; L236-M240 HydrophobicContact CD2-SD 3.71Å; L236-M240 CarbonylContact O-C 3.59Å; L236-M240 WeakPolarHBondContact O-CA 3.07Å; L236-M240 VanDerWaalsContact O-CB 3.31Å; L236-M240 WeakPolarHBondContact O-CB 3.32Å; L236-M240 PolarHBondContact O-N 2.8Å; M240-L242 HydrophobicContact CB-CD1 4.21Å; M240-L242 HydrophobicContact CB-CG 4.06Å; M240-L242 PolarHBondContact O-N 2.87Å |
| 241 | G | 92.5 | Very high | 76.3 | Confident | 61 Ų | 61 | 65.9 Ų | 65.9 | 63% | 0.629 | 34% | 0.343 | S | S | * | . | trans | 68.8 | 19.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L236 A237 L243 | L236-G241 PolarHBondContact O-N 3.24Å; A237-G241 WeakPolarHBondContact O-CA 3.19Å; A237-G241 PolarHBondContact O-N 2.98Å; G241-L243 PolarHBondContact O-N 3.33Å | ||
| 242 | L | 88 | Confident | 73.9 | Confident | 13 Ų | 13 | 68.9 Ų | 68.9 | 7% | 0.068 | 36% | 0.363 | C | S | . | . | trans | -82.3 | 104.3 | 177.2 | -66 | 176 | 0 | 0 | 0 | 109.6 | P46 Y47 L75 L236 A237 M240 | P46-L242 HydrophobicContact CB-CD2 4.34Å; P46-L242 HydrophobicContact CG-CD2 3.66Å; Y47-L242 HydrophobicContact CD2-CD1 3.75Å; Y47-L242 HydrophobicContact CD2-CD2 3.98Å; Y47-L242 HydrophobicContact CD2-CG 4.07Å; Y47-L242 HydrophobicContact CE2-CD1 4.15Å; Y47-L242 HydrophobicContact CE2-CD2 4.02Å; Y47-L242 HydrophobicContact CE2-CG 4.03Å; L75-L242 HydrophobicContact CD1-CD1 3.98Å; L75-L242 HydrophobicContact CD2-CD1 3.96Å; L75-L242 HydrophobicContact CG-CD1 4.45Å; L236-L242 HydrophobicContact CB-CB 4.16Å; L236-L242 HydrophobicContact CB-CD1 4.19Å; L236-L242 HydrophobicContact CD1-CD1 4.39Å; L236-L242 PolarHBondContact O-N 2.81Å; A237-L242 WeakPolarHBondContact CA-O 3.4Å; A237-L242 VanDerWaalsContact CB-O 3.26Å; A237-L242 WeakPolarHBondContact CB-O 3.38Å; A237-L242 PolarHBondContact N-O 3.5Å; M240-L242 HydrophobicContact CB-CD1 4.21Å; M240-L242 HydrophobicContact CB-CG 4.06Å; M240-L242 PolarHBondContact O-N 2.87Å | ||
| 243 | L | 73.9 | Confident | 71.1 | Confident | 114 Ų | 114 | 74.5 Ų | 74.5 | 60% | 0.597 | 39% | 0.392 | S | S | * | . | trans | -62.4 | 146.1 | 174.6 | -66.2 | 175.1 | 0 | 0 | 0 | 110.7 | G241 D247 | G241-L243 PolarHBondContact O-N 3.33Å; L243-D247 HydrophobicContact CB-CB 4.35Å | ||
| 244 | P | 64.5 | Low | 68.3 | Low | 41 Ų | 41 | 77.4 Ų | 77.4 | 27% | 0.266 | 42% | 0.417 | S | S | . | . | trans | -53.2 | 147.9 | 174.8 | -22.8 | 32.8 | 0 | 0 | 0 | 111.1 | C246 D247 | P244-C246 PolarHBondContact O-N 3.41Å; P244-D247 PolarHBondContact O-N 3.05Å | ||
| 245 | V | 62.4 | Low | 65.5 | Low | 27 Ų | 27 | 79.1 Ų | 79.1 | 16% | 0.164 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -56.5 | -30.4 | -174.1 | 177.9 | 0 | 0 | 0 | 0 | 112.3 | I7 S72 N74 E233 D247 L248 | I7-V245 HydrophobicContact CD1-CG1 4.41Å; S72-V245 WeakPolarHBondContact O-CG2 3.29Å; N74-V245 WeakPolarHBondContact ND2-CG1 3.4Å; N74-V245 WeakPolarHBondContact ND2-CG2 3.28Å; E233-V245 PolarHBondContact OE1-N 3.14Å; V245-D247 PolarHBondContact O-N 3.27Å; V245-D247 VanDerWaalsContact O-N 3.08Å; V245-L248 PolarHBondContact O-N 3.27Å |
| 246 | C | 52.5 | Low | 62.9 | Low | 62 Ų | 62 | 89.1 Ų | 89.1 | 42% | 0.419 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -56.9 | -23.7 | 176.8 | -64.1 | 0 | 0 | 0 | 0 | 114.6 | P244 | P244-C246 PolarHBondContact O-N 3.41Š|
| 247 | D | 45.7 | Very low | 59.9 | Low | 70 Ų | 70 | 98.9 Ų | 98.9 | 37% | 0.374 | 51% | 0.509 | S | S | . | . | G | 310 helix | trans | -89.2 | -16.6 | 179.7 | -75.7 | -33 | 0 | 0 | 0 | 113.3 | L243 P244 V245 | L243-D247 HydrophobicContact CB-CB 4.35Å; P244-D247 PolarHBondContact O-N 3.05Å; V245-D247 PolarHBondContact O-N 3.27Å; V245-D247 VanDerWaalsContact O-N 3.08Å |
| 248 | L | 46.4 | Very low | 57.3 | Low | 63 Ų | 63 | 100.4 Ų | 100.4 | 33% | 0.33 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -36.8 | 179.1 | -69.2 | 170.5 | 0 | 0 | 0 | 112 | V245 K250 N251 S252 | V245-L248 PolarHBondContact O-N 3.27Å; L248-K250 PolarHBondContact O-N 3.2Å; L248-N251 PolarHBondContact O-N 2.83Å; L248-N251 VanDerWaalsContact O-N 3.1Å; L248-S252 PolarHBondContact O-N 3.15Å; L248-S252 PolarHBondContact O-OG 3.47Å; L248-S252 VanDerWaalsContact O-OG 3.05Å |
| 249 | E | 45.2 | Very low | 54.6 | Low | 57 Ų | 57 | 93.6 Ų | 93.6 | 27% | 0.266 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.7 | -26.6 | -178.1 | -77.5 | -164.9 | 160.3 | 0 | 0 | 114 | N251 L253 L260 | E249-N251 PolarHBondContact O-N 3.06Å; E249-L253 HydrophobicContact CB-CD1 3.74Å; E249-L253 HydrophobicContact CB-CG 4.27Å; E249-L253 HydrophobicContact CG-CD1 4.03Å; E249-L253 HydrophobicContact CG-CG 4.43Å; E249-L253 WeakPolarHBondContact O-CD1 3.11Å; E249-L253 WeakPolarHBondContact O-CG 3.5Å; E249-L260 WeakPolarHBondContact OE1-CD1 3.33Å |
| 250 | K | 41.4 | Very low | 51.8 | Low | 170 Ų | 170 | 93.3 Ų | 93.3 | 74% | 0.739 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.9 | -19.1 | 177.9 | -76 | 179.7 | -177.5 | 162.9 | 0 | 113.4 | L248 | L248-K250 PolarHBondContact O-N 3.2Å |
| 251 | N | 38.5 | Very low | 49.2 | Very low | 158 Ų | 158 | 96.3 Ų | 96.3 | 85% | 0.845 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -117.1 | -10.2 | -175.1 | -73.5 | -25.2 | 0 | 0 | 0 | 114.8 | L248 E249 | L248-N251 PolarHBondContact O-N 2.83Å; L248-N251 VanDerWaalsContact O-N 3.1Å; E249-N251 PolarHBondContact O-N 3.06Å |
| 252 | S | 43.5 | Very low | 46.5 | Very low | 76 Ų | 76 | 100.4 Ų | 100.4 | 53% | 0.531 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -121.6 | -7 | -171.8 | 58.8 | 0 | 0 | 0 | 0 | 116 | L248 S254 | L248-S252 PolarHBondContact O-N 3.15Å; L248-S252 PolarHBondContact O-OG 3.47Å; L248-S252 VanDerWaalsContact O-OG 3.05Å; S252-S254 VanDerWaalsContact C-N 3.27Å; S252-S254 PolarHBondContact O-N 2.86Å |
| 253 | L | 38.2 | Very low | 44 | Very low | 119 Ų | 119 | 105.8 Ų | 105.8 | 62% | 0.623 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | 68.5 | 178.9 | -69.6 | 172 | 0 | 0 | 0 | 111.9 | E249 | E249-L253 HydrophobicContact CB-CD1 3.74Å; E249-L253 HydrophobicContact CB-CG 4.27Å; E249-L253 HydrophobicContact CG-CD1 4.03Å; E249-L253 HydrophobicContact CG-CG 4.43Å; E249-L253 WeakPolarHBondContact O-CD1 3.11Å; E249-L253 WeakPolarHBondContact O-CG 3.5Å |
| 254 | S | 35.1 | Very low | 42 | Very low | 98 Ų | 98 | 105.3 Ų | 105.3 | 69% | 0.685 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.7 | -16.4 | 162.2 | 67.9 | 0 | 0 | 0 | 0 | 114 | S252 | S252-S254 VanDerWaalsContact C-N 3.27Å; S252-S254 PolarHBondContact O-N 2.86Å |
| 255 | H | 36 | Very low | 40.8 | Very low | 170 Ų | 170 | 106.5 Ų | 106.5 | 79% | 0.787 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -160.1 | 97.3 | 177.2 | -77.4 | -64.9 | 0 | 0 | 0 | 112.1 | ||
| 256 | R | 40.8 | Very low | 39.6 | Very low | 226 Ų | 226 | 108.6 Ų | 108.6 | 85% | 0.853 | 58% | 0.583 | S | S | * | * | trans | 177.7 | 102.5 | 146.4 | -99.3 | 166.8 | -170.2 | -156.1 | 2.3 | 109 | G258 | R256-G258 PolarHBondContact O-N 3.01Š| ||
| 257 | E | 32.1 | Very low | 38.9 | Very low | 211 Ų | 211 | 113.3 Ų | 113.3 | 99% | 0.986 | 60% | 0.599 | S | S | * | * | trans | -77.6 | 104.1 | 164.1 | -74.7 | 179.9 | 149.3 | 0 | 0 | 107.7 | ||||
| 258 | G | 40.9 | Very low | 38.8 | Very low | 67 Ų | 67 | 114.3 Ų | 114.3 | 69% | 0.691 | 62% | 0.617 | S | S | * | * | trans | 179.9 | 113.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R256 | R256-G258 PolarHBondContact O-N 3.01Š| ||
| 259 | G | 38.1 | Very low | 39 | Very low | 65 Ų | 65 | 115.9 Ų | 115.9 | 67% | 0.67 | 63% | 0.626 | S | S | * | * | trans | 98.2 | -13 | 143.7 | 0 | 0 | 0 | 0 | 0 | 121.4 | I261 | G259-I261 PolarHBondContact O-N 2.87Å; G259-I261 VanDerWaalsContact O-N 3.15Å | ||
| 260 | L | 37.6 | Very low | 39.1 | Very low | 77 Ų | 77 | 116 Ų | 116 | 40% | 0.403 | 63% | 0.626 | S | S | . | * | trans | -81.6 | 99.5 | -178.3 | -84.6 | 155.3 | 0 | 0 | 0 | 112.6 | I7 E249 | I7-L260 HydrophobicContact CG1-CD2 4.19Å; E249-L260 WeakPolarHBondContact OE1-CD1 3.33Å | ||
| 261 | I | 40.1 | Very low | 39.5 | Very low | 78 Ų | 78 | 112 Ų | 112 | 40% | 0.4 | 61% | 0.612 | S | S | . | * | trans | -76.9 | 123.9 | 168.5 | -57.4 | -159.6 | 0 | 0 | 0 | 110 | E8 G259 F263 | E8-I261 VanDerWaalsContact CD-CD1 3.47Å; E8-I261 HydrophobicContact CG-CB 4.14Å; E8-I261 HydrophobicContact CG-CG1 4.36Å; E8-I261 WeakPolarHBondContact OE1-CD1 3.44Å; E8-I261 WeakPolarHBondContact OE2-CD1 3.19Å; E8-I261 VanDerWaalsContact OE2-CG1 3.26Å; E8-I261 WeakPolarHBondContact OE2-CG1 3.47Å; G259-I261 PolarHBondContact O-N 2.87Å; G259-I261 VanDerWaalsContact O-N 3.15Å; I261-F263 HydrophobicContact CB-CE2 4.35Å; I261-F263 HydrophobicContact CG2-CD2 4.08Å; I261-F263 HydrophobicContact CG2-CE2 3.5Å; I261-F263 VanDerWaalsContact CG2-CE2 3.5Å; I261-F263 HydrophobicContact CG2-CZ 3.89Å | ||
| 262 | K | 35.8 | Very low | 39.7 | Very low | 146 Ų | 146 | 112.8 Ų | 112.8 | 64% | 0.635 | 61% | 0.611 | S | S | * | * | trans | -91.2 | 113.8 | -176.7 | -54.1 | -174.1 | 171.3 | -175.6 | 0 | 110 | W5 | W5-K262 HydrophobicContact CE3-CG 4.14Å; W5-K262 HydrophobicContact CH2-CD 4.25Å; W5-K262 HydrophobicContact CZ3-CB 4.18Å; W5-K262 HydrophobicContact CZ3-CD 3.54Å; W5-K262 HydrophobicContact CZ3-CG 3.62Å | ||
| 263 | F | 35 | Very low | 40 | Very low | 127 Ų | 127 | 117.6 Ų | 117.6 | 56% | 0.557 | 63% | 0.625 | S | S | * | * | trans | -108 | 111.9 | 165.2 | -69.8 | -80 | 0 | 0 | 0 | 110.1 | V4 I261 L265 | V4-F263 VanDerWaalsContact O-O 3.1Å; I261-F263 HydrophobicContact CB-CE2 4.35Å; I261-F263 HydrophobicContact CG2-CD2 4.08Å; I261-F263 HydrophobicContact CG2-CE2 3.5Å; I261-F263 VanDerWaalsContact CG2-CE2 3.5Å; I261-F263 HydrophobicContact CG2-CZ 3.89Å; F263-L265 PolarHBondContact O-N 3.34Å | ||
| 264 | P | 33 | Very low | 40.4 | Very low | 103 Ų | 103 | 115.3 Ų | 115.3 | 67% | 0.669 | 61% | 0.611 | S | S | * | * | trans | -73.9 | 107.3 | 170.9 | 28.5 | -29.2 | 0 | 0 | 0 | 109.2 | ||||
| 265 | L | 38.4 | Very low | 40.8 | Very low | 66 Ų | 66 | 112.5 Ų | 112.5 | 35% | 0.346 | 59% | 0.586 | S | S | . | * | trans | -71.3 | 126.2 | 161.8 | -70 | 173.3 | 0 | 0 | 0 | 108.6 | V4 F263 D269 | V4-L265 HydrophobicContact CB-CB 4.48Å; V4-L265 HydrophobicContact CB-CD1 3.93Å; V4-L265 HydrophobicContact CB-CG 4.47Å; V4-L265 HydrophobicContact CG1-CD1 4.02Å; V4-L265 HydrophobicContact CG2-CB 4.44Å; V4-L265 HydrophobicContact CG2-CD1 4.12Å; F263-L265 PolarHBondContact O-N 3.34Å; L265-D269 VanDerWaalsContact CA-OD2 3.27Å; L265-D269 WeakPolarHBondContact CA-OD2 3.15Å; L265-D269 HydrophobicContact CD2-CB 3.91Å; L265-D269 WeakPolarHBondContact CD2-OD2 3.15Å | ||
| 266 | T | 37.1 | Very low | 41 | Very low | 71 Ų | 71 | 109.1 Ų | 109.1 | 44% | 0.436 | 58% | 0.579 | S | S | . | * | trans | -99.2 | 164.6 | 177.4 | 63.5 | 0 | 0 | 0 | 0 | 110.2 | A268 D269 F270 | T266-A268 PolarHBondContact O-N 3.25Å; T266-D269 PolarHBondContact N-OD2 3.2Å; T266-D269 WeakPolarHBondContact O-CB 3.38Å; T266-D269 PolarHBondContact O-N 3.08Å; T266-D269 PolarHBondContact OG1-OD2 3.23Å; T266-F270 WeakPolarHBondContact O-CD2 3.22Å | ||
| 267 | E | 38.9 | Very low | 41.2 | Very low | 162 Ų | 162 | 105.7 Ų | 105.7 | 76% | 0.757 | 58% | 0.576 | S | S | * | * | G | 310 helix | trans | -55.5 | -21.6 | 172.9 | -80.2 | 171 | -168.9 | 0 | 0 | 112.5 | D269 F270 | E267-D269 VanDerWaalsContact C-N 3.29Å; E267-D269 PolarHBondContact O-N 2.86Å; E267-F270 WeakPolarHBondContact O-CB 3.26Å; E267-F270 PolarHBondContact O-N 2.94Å |
| 268 | A | 43.2 | Very low | 41.5 | Very low | 91 Ų | 91 | 102.4 Ų | 102.4 | 75% | 0.752 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -73.4 | -14.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | T266 F270 | T266-A268 PolarHBondContact O-N 3.25Å; A268-F270 PolarHBondContact O-N 2.81Å |
| 269 | D | 49.7 | Very low | 41.1 | Very low | 96 Ų | 96 | 102.3 Ų | 102.3 | 51% | 0.513 | 55% | 0.548 | S | S | . | . | G | 310 helix | trans | -81.4 | -2 | 172.4 | -58.9 | -54.5 | 0 | 0 | 0 | 112 | L265 T266 E267 | L265-D269 VanDerWaalsContact CA-OD2 3.27Å; L265-D269 WeakPolarHBondContact CA-OD2 3.15Å; L265-D269 HydrophobicContact CD2-CB 3.91Å; L265-D269 WeakPolarHBondContact CD2-OD2 3.15Å; T266-D269 PolarHBondContact N-OD2 3.2Å; T266-D269 WeakPolarHBondContact O-CB 3.38Å; T266-D269 PolarHBondContact O-N 3.08Å; T266-D269 PolarHBondContact OG1-OD2 3.23Å; E267-D269 VanDerWaalsContact C-N 3.29Å; E267-D269 PolarHBondContact O-N 2.86Å |
| 270 | F | 48 | Very low | 41.1 | Very low | 59 Ų | 59 | 105.5 Ų | 105.5 | 26% | 0.259 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -104.2 | 108.9 | 174.4 | -59.6 | -93 | 0 | 0 | 0 | 108.7 | Y226 Y227 T266 E267 A268 E272 | Y226-F270 HydrophobicContact CD1-CE1 4.22Å; Y226-F270 HydrophobicContact CD1-CZ 4.4Å; Y227-F270 AromaticContact CE2-CD1 4Å; Y227-F270 HydrophobicContact CE2-CD1 4Å; Y227-F270 AromaticContact CE2-CE1 3.89Å; Y227-F270 HydrophobicContact CE2-CE1 3.89Å; T266-F270 WeakPolarHBondContact O-CD2 3.22Å; E267-F270 WeakPolarHBondContact O-CB 3.26Å; E267-F270 PolarHBondContact O-N 2.94Å; A268-F270 PolarHBondContact O-N 2.81Å; F270-E272 PolarHBondContact O-N 2.99Å |
| 271 | D | 49.1 | Very low | 41.1 | Very low | 85 Ų | 85 | 106 Ų | 106 | 46% | 0.455 | 57% | 0.57 | S | S | . | * | trans | -71.6 | 110.1 | 169.5 | -164.2 | -18.3 | 0 | 0 | 0 | 108.6 | E273 E274 Y275 | D271-E273 PolarHBondContact O-N 3.39Å; D271-E273 VanDerWaalsContact O-N 3.15Å; D271-E273 PolarHBondContact OD1-N 3.49Å; D271-E273 VanDerWaalsContact OD1-N 3.16Å; D271-E274 HydrophobicContact CB-CB 4.14Å; D271-E274 HydrophobicContact CB-CG 4.11Å; D271-E274 WeakPolarHBondContact O-CA 3.45Å; D271-E274 WeakPolarHBondContact O-CB 3.5Å; D271-E274 PolarHBondContact O-N 2.97Å; D271-Y275 WeakPolarHBondContact O-CD2 3.21Å; D271-Y275 PolarHBondContact O-N 3.03Å | ||
| 272 | E | 43.8 | Very low | 40.9 | Very low | 175 Ų | 175 | 112.6 Ų | 112.6 | 82% | 0.818 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | -21.9 | 179.1 | -74.4 | -165.1 | 161.5 | 0 | 0 | 112.3 | F270 | F270-E272 PolarHBondContact O-N 2.99Š|
| 273 | E | 49.1 | Very low | 40.8 | Very low | 177 Ų | 177 | 111.3 Ų | 111.3 | 83% | 0.827 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -28.1 | 171.8 | -67.2 | -166.1 | 164.2 | 0 | 0 | 112.5 | D271 | D271-E273 PolarHBondContact O-N 3.39Å; D271-E273 VanDerWaalsContact O-N 3.15Å; D271-E273 PolarHBondContact OD1-N 3.49Å; D271-E273 VanDerWaalsContact OD1-N 3.16Å |
| 274 | E | 45.7 | Very low | 41 | Very low | 72 Ų | 72 | 113.4 Ų | 113.4 | 34% | 0.336 | 61% | 0.612 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.5 | -26.2 | 175.8 | -78.8 | -166.6 | 147.5 | 0 | 0 | 113 | A215 G216 D271 P276 | A215-E274 WeakPolarHBondContact CB-O 3.4Å; G216-E274 VanDerWaalsContact CA-OE1 3.28Å; G216-E274 WeakPolarHBondContact CA-OE1 3.24Å; D271-E274 HydrophobicContact CB-CB 4.14Å; D271-E274 HydrophobicContact CB-CG 4.11Å; D271-E274 WeakPolarHBondContact O-CA 3.45Å; D271-E274 WeakPolarHBondContact O-CB 3.5Å; D271-E274 PolarHBondContact O-N 2.97Å; E274-P276 VanDerWaalsContact C-CD 3.49Å; E274-P276 WeakPolarHBondContact O-CD 3.15Å |
| 275 | Y | 45.5 | Very low | 41 | Very low | 39 Ų | 39 | 120.4 Ų | 120.4 | 15% | 0.153 | 63% | 0.625 | C | S | . | * | trans | -125.9 | 64.5 | -169.1 | -61.3 | -84.2 | 0 | 0 | 0 | 115.3 | A215 Y227 D271 L277 | A215-Y275 HydrophobicContact CB-CD1 3.85Å; A215-Y275 HydrophobicContact CB-CE1 3.63Å; A215-Y275 PolarHBondContact O-OH 2.76Å; Y227-Y275 AromaticContact CD2-CD1 3.7Å; Y227-Y275 HydrophobicContact CD2-CD1 3.7Å; Y227-Y275 AromaticContact CD2-CE1 3.22Å; Y227-Y275 HydrophobicContact CD2-CE1 3.22Å; Y227-Y275 AromaticContact CD2-CZ 3.87Å; Y227-Y275 AromaticContact CE2-CD1 3.5Å; Y227-Y275 HydrophobicContact CE2-CD1 3.5Å; Y227-Y275 VanDerWaalsContact CE2-CD1 3.5Å; Y227-Y275 AromaticContact CE2-CE1 3.47Å; Y227-Y275 HydrophobicContact CE2-CE1 3.47Å; Y227-Y275 VanDerWaalsContact CE2-CE1 3.47Å; Y227-Y275 HydrophobicContact CE2-CG 4.08Å; Y227-Y275 HydrophobicContact CG-CE1 4.25Å; D271-Y275 WeakPolarHBondContact O-CD2 3.21Å; D271-Y275 PolarHBondContact O-N 3.03Å; Y275-L277 PolarHBondContact O-N 3.41Å | ||
| 276 | P | 40 | Very low | 40.9 | Very low | 98 Ų | 98 | 123.5 Ų | 123.5 | 64% | 0.636 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -67.6 | -8.8 | -175.6 | 25.6 | -33.9 | 0 | 0 | 0 | 115.4 | E274 F278 | E274-P276 VanDerWaalsContact C-CD 3.49Å; E274-P276 WeakPolarHBondContact O-CD 3.15Å; P276-F278 VanDerWaalsContact C-N 3.29Å; P276-F278 PolarHBondContact O-N 3.33Å |
| 277 | L | 44.2 | Very low | 40.8 | Very low | 154 Ų | 154 | 125.3 Ų | 125.3 | 81% | 0.806 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -77.1 | -6.6 | -174.3 | -76.4 | 165.7 | 0 | 0 | 0 | 114.8 | Y275 | Y275-L277 PolarHBondContact O-N 3.41Š|
| 278 | F | 38.1 | Very low | 40.7 | Very low | 143 Ų | 143 | 124.1 Ų | 124.1 | 63% | 0.627 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -109.8 | 4.6 | -179.1 | -65.7 | -74.5 | 0 | 0 | 0 | 114.5 | Y227 P276 S280 | Y227-F278 HydrophobicContact CD1-CE2 4.48Å; Y227-F278 AromaticContact CE1-CE2 3.55Å; Y227-F278 HydrophobicContact CE1-CE2 3.55Å; Y227-F278 AromaticContact CE1-CZ 3.78Å; Y227-F278 HydrophobicContact CE1-CZ 3.78Å; Y227-F278 AromaticContact CZ-CE2 3.63Å; Y227-F278 WeakPolarHBondContact OH-CE2 3.44Å; P276-F278 VanDerWaalsContact C-N 3.29Å; P276-F278 PolarHBondContact O-N 3.33Å; F278-S280 PolarHBondContact O-N 3.48Å |
| 279 | S | 32.9 | Very low | 40.5 | Very low | 64 Ų | 64 | 124.3 Ų | 124.3 | 45% | 0.448 | 67% | 0.671 | S | S | . | * | trans | -76.3 | 107.5 | 172 | 175.9 | 0 | 0 | 0 | 0 | 110.8 | S281 | S279-S281 PolarHBondContact O-N 3.06Å; S279-S281 PolarHBondContact OG-N 3.04Å; S279-S281 PolarHBondContact OG-OG 2.82Å | ||
| 280 | S | 38.1 | Very low | 39.8 | Very low | 132 Ų | 132 | 129.6 Ų | 129.6 | 92% | 0.923 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | 11 | 170.4 | 56.2 | 0 | 0 | 0 | 0 | 114.1 | F278 | F278-S280 PolarHBondContact O-N 3.48Š|
| 281 | S | 38.6 | Very low | 39.4 | Very low | 87 Ų | 87 | 135.9 Ų | 135.9 | 61% | 0.608 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.3 | -0.3 | -166.2 | 70.3 | 0 | 0 | 0 | 0 | 116.6 | S279 | S279-S281 PolarHBondContact O-N 3.06Å; S279-S281 PolarHBondContact OG-N 3.04Å; S279-S281 PolarHBondContact OG-OG 2.82Å |
| 282 | R | 35.5 | Very low | 38.7 | Very low | 217 Ų | 217 | 143.1 Ų | 143.1 | 82% | 0.819 | 74% | 0.74 | S | S | * | * | trans | -143.6 | 119.2 | 175.3 | -68.7 | -171.8 | -175.5 | -171.5 | 3.2 | 113.8 | ||||
| 283 | P | 32.6 | Very low | 38.7 | Very low | 120 Ų | 120 | 143.3 Ų | 143.3 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | trans | -68.6 | 133.9 | 162.1 | 1.8 | 12.9 | 0 | 0 | 0 | 109 | R285 | P283-R285 PolarHBondContact O-N 3.4Š| ||
| 284 | L | 38.9 | Very low | 38.2 | Very low | 170 Ų | 170 | 143.7 Ų | 143.7 | 89% | 0.89 | 74% | 0.742 | S | S | * | * | trans | -53.9 | 104.9 | 168.1 | -81.3 | 154.9 | 0 | 0 | 0 | 109.1 | T286 | L284-T286 PolarHBondContact O-N 2.75Š| ||
| 285 | R | 33.4 | Very low | 38 | Very low | 250 Ų | 250 | 143.9 Ų | 143.9 | 94% | 0.943 | 76% | 0.764 | S | S | * | * | trans | -65.6 | 123.7 | 175.6 | -104.6 | -177.8 | 175.7 | -164.8 | -1.1 | 109.6 | P283 | P283-R285 PolarHBondContact O-N 3.4Š| ||
| 286 | T | 36.9 | Very low | 37.7 | Very low | 132 Ų | 132 | 148.5 Ų | 148.5 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | -54.2 | 151.4 | 166.4 | 48.9 | 0 | 0 | 0 | 0 | 112.6 | L284 | L284-T286 PolarHBondContact O-N 2.75Š| ||
| 287 | S | 33.8 | Very low | 37.9 | Very low | 109 Ų | 109 | 153.6 Ų | 153.6 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | trans | -41.9 | 148.1 | 179.7 | -56.7 | 0 | 0 | 0 | 0 | 115.2 | A289 | S287-A289 PolarHBondContact O-N 3.26Å; S287-A289 VanDerWaalsContact O-N 3.14Å | ||
| 288 | P | 37.3 | Very low | 37.6 | Very low | 136 Ų | 136 | 155.5 Ų | 155.5 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | -71.7 | 112.4 | 178.4 | 28.2 | -30.8 | 0 | 0 | 0 | 110.6 | ||||
| 289 | A | 38.4 | Very low | 37.6 | Very low | 95 Ų | 95 | 157.1 Ų | 157.1 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | trans | -70.7 | 144.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 110 | S287 | S287-A289 PolarHBondContact O-N 3.26Å; S287-A289 VanDerWaalsContact O-N 3.14Å | ||
| 290 | K | 35.9 | Very low | 38 | Very low | 208 Ų | 208 | 160 Ų | 160 | 90% | 0.904 | 83% | 0.832 | S | S | * | * | trans | -56.9 | 129.6 | 178.6 | -67.9 | 168.2 | 173 | 172.7 | 0 | 112.1 | ||||
| 291 | E | 38.8 | Very low | 38.8 | Very low | 191 Ų | 191 | 165.3 Ų | 165.3 | 89% | 0.893 | 85% | 0.849 | S | S | * | * | trans | -121.6 | 117.2 | 153.6 | -84.6 | -174.2 | 164.6 | 0 | 0 | 110.2 | ||||
| 292 | R | 35.6 | Very low | 38.8 | Very low | 236 Ų | 236 | 169.3 Ų | 169.3 | 89% | 0.891 | 86% | 0.861 | S | S | * | * | trans | -70.4 | 131.4 | 159.7 | -81.6 | 172.4 | 163.2 | -178.6 | -4.7 | 107.3 | ||||
| 293 | H | 42.4 | Very low | 38.9 | Very low | 179 Ų | 179 | 166.7 Ų | 166.7 | 83% | 0.829 | 86% | 0.863 | S | S | * | * | trans | -149.7 | 139.4 | 138.3 | -101.8 | -44.1 | 0 | 0 | 0 | 112.8 | ||||
| 294 | Q | 38.9 | Very low | 39.3 | Very low | 185 Ų | 185 | 169.3 Ų | 169.3 | 86% | 0.864 | 87% | 0.868 | S | S | * | * | trans | -55.5 | 143 | -178.7 | -70 | 156.3 | -12.8 | 0 | 0 | 113.1 | ||||
| 295 | G | 41.5 | Very low | 39.3 | Very low | 77 Ų | 77 | 169.3 Ų | 169.3 | 79% | 0.794 | 87% | 0.867 | S | S | * | * | trans | -157.1 | 88.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 296 | T | 39.1 | Very low | 39.7 | Very low | 136 Ų | 136 | 164.3 Ų | 164.3 | 83% | 0.834 | 86% | 0.862 | S | S | * | * | trans | -59.6 | 132.3 | 177.7 | -11.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 297 | K | 44.1 | Very low | 39.9 | Very low | 205 Ų | 205 | 166.4 Ų | 166.4 | 89% | 0.891 | 87% | 0.865 | S | S | * | * | trans | -164.1 | 107.8 | 143.5 | -106.4 | 168.5 | -170.8 | -176.5 | 0 | 111.8 | ||||
| 298 | K | 38.6 | Very low | 40.3 | Very low | 193 Ų | 193 | 170.5 Ų | 170.5 | 84% | 0.839 | 87% | 0.873 | S | S | * | * | trans | -8.2 | 142.4 | 144.8 | -81.3 | 172.1 | 173.2 | 174.6 | 0 | 114.6 | ||||
| 299 | K | 38.5 | Very low | 40.5 | Very low | 178 Ų | 178 | 173.2 Ų | 173.2 | 77% | 0.774 | 87% | 0.872 | S | S | * | * | 179.8 | 143.2 | 53.9 | -130.9 | 173.8 | -171.9 | -171.2 | 0 | 109.7 | |||||
| 300 | T | 41.9 | Very low | 40.7 | Very low | 124 Ų | 124 | 179.7 Ų | 179.7 | 76% | 0.761 | 88% | 0.879 | S | S | * | * | trans | 40.8 | 130.6 | 141.4 | 38.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 301 | L | 53.4 | Low | 41.2 | Very low | 244 Ų | 244 | 177.1 Ų | 177.1 | 100% | 1.277 | 88% | 0.877 | S | S | * | * | cis | -139.6 | 0 | 27.1 | -105.5 | 148.9 | 0 | 0 | 0 | 109.6 |
Retrieved 301 of 301 residues in 247.5 ms
(Link to these results)