| 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 | 42 | Very low | 52.5 | Low | 90 Ų | 90 | 73.1 Ų | 73.1 | 44% | 0.443 | 38% | 0.38 | S | S | . | . | 0 | 63.6 | 0 | -72 | 176.6 | 62.2 | 0 | 0 | 109.1 | S26 L52 | M1-S26 PolarHBondContact N-O 3.31Å; M1-L52 HydrophobicContact CE-CD2 4.37Å; M1-L52 HydrophobicContact SD-CD1 3.72Å; M1-L52 HydrophobicContact SD-CD2 3.75Å; M1-L52 HydrophobicContact SD-CG 4.31Å | |||
| 2 | T | 40.1 | Very low | 54.6 | Low | 15 Ų | 15 | 69.8 Ų | 69.8 | 9% | 0.092 | 37% | 0.366 | C | S | . | . | trans | -105.3 | 156.6 | 176.1 | 52.5 | 0 | 0 | 0 | 0 | 108.5 | D4 K27 D41 D44 | T2-D4 VanDerWaalsContact C-N 3.31Å; T2-D4 WeakPolarHBondContact CB-O 3.22Å; T2-D4 PolarHBondContact OG1-O 2.83Å; T2-K27 VanDerWaalsContact O-CD 3.27Å; T2-K27 WeakPolarHBondContact O-CD 3.46Å; T2-K27 WeakPolarHBondContact O-CE 3.34Å; T2-K27 WeakPolarHBondContact O-CG 3.3Å; T2-D41 HydrophobicContact CG2-CB 3.8Å; T2-D44 WeakPolarHBondContact CB-OD2 3.34Å; T2-D44 HydrophobicContact CG2-CB 3.78Å | ||
| 3 | E | 35.3 | Very low | 56.3 | Low | 104 Ų | 104 | 79.9 Ų | 79.9 | 49% | 0.486 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -74.2 | -21.6 | -179.8 | -79.7 | -174 | -172.2 | 0 | 0 | 113.4 | K27 R46 | E3-K27 VanDerWaalsContact C-NZ 3.33Å; E3-K27 WeakPolarHBondContact O-CE 3.42Å; E3-K27 PolarHBondContact O-NZ 2.91Å; E3-R46 IonicContact OE1-CZ 3.13Å; E3-R46 IonicContact OE1-NE 2.65Å; E3-R46 PolarHBondContact OE1-NE 3.13Å; E3-R46 IonicContact OE1-NH2 3.17Å; E3-R46 PolarHBondContact OE1-NH2 2.85Å |
| 4 | D | 36.4 | Very low | 57.7 | Low | 116 Ų | 116 | 79.6 Ų | 79.6 | 62% | 0.62 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -132.8 | 161.3 | 172.1 | -74.9 | -40 | 0 | 0 | 0 | 110.1 | T2 S6 | T2-D4 VanDerWaalsContact C-N 3.31Å; T2-D4 WeakPolarHBondContact CB-O 3.22Å; T2-D4 PolarHBondContact OG1-O 2.83Å; D4-S6 PolarHBondContact O-N 2.61Å |
| 5 | D | 39.4 | Very low | 59.2 | Low | 114 Ų | 114 | 77.3 Ų | 77.3 | 61% | 0.61 | 42% | 0.422 | S | S | * | . | trans | -61.7 | 96.2 | 162.8 | -77.6 | -44.3 | 0 | 0 | 0 | 106.2 | E7 S25 | D5-E7 VanDerWaalsContact C-N 3.31Å; D5-E7 PolarHBondContact O-N 3.1Å; D5-S25 PolarHBondContact OD1-OG 3.07Å | ||
| 6 | S | 49.9 | Very low | 60.7 | Low | 10 Ų | 10 | 82.8 Ų | 82.8 | 7% | 0.07 | 45% | 0.448 | C | S | . | . | trans | -59.2 | 102 | 173.8 | 174.5 | 0 | 0 | 0 | 0 | 105.9 | D4 S8 L9 D41 R43 | D4-S6 PolarHBondContact O-N 2.61Å; S6-S8 PolarHBondContact O-N 3.25Å; S6-S8 PolarHBondContact OG-OG 3.38Å; S6-L9 PolarHBondContact O-N 3Å; S6-D41 WeakPolarHBondContact CB-OD2 3.37Å; S6-D41 PolarHBondContact OG-OD2 3.26Å; S6-R43 PolarHBondContact OG-NH2 2.91Å | ||
| 7 | E | 52.5 | Low | 62.3 | Low | 169 Ų | 169 | 79.7 Ų | 79.7 | 79% | 0.79 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -50.5 | -31.4 | 178.9 | -75.7 | -177.6 | 163.7 | 0 | 0 | 110.1 | D5 L9 S10 | D5-E7 VanDerWaalsContact C-N 3.31Å; D5-E7 PolarHBondContact O-N 3.1Å; E7-L9 VanDerWaalsContact C-N 3.3Å; E7-L9 PolarHBondContact O-N 3.46Å; E7-S10 PolarHBondContact O-N 3.48Å; E7-S10 PolarHBondContact O-OG 3.22Å |
| 8 | S | 59.5 | Low | 63.9 | Low | 32 Ų | 32 | 86.3 Ų | 86.3 | 22% | 0.224 | 46% | 0.461 | C | S | . | . | G | 310 helix | trans | -68 | -20.2 | 177.6 | 83.1 | 0 | 0 | 0 | 0 | 115.4 | S6 Y63 | S6-S8 PolarHBondContact O-N 3.25Å; S6-S8 PolarHBondContact OG-OG 3.38Å; S8-Y63 WeakPolarHBondContact CB-OH 3.36Å; S8-Y63 PolarHBondContact O-OH 3.02Å; S8-Y63 WeakPolarHBondContact OG-CE1 3.47Å; S8-Y63 PolarHBondContact OG-OH 3.1Å; S8-Y63 VanDerWaalsContact OG-OH 3.11Å |
| 9 | L | 69.8 | Low | 65.2 | Low | 13 Ų | 13 | 83.7 Ų | 83.7 | 7% | 0.068 | 45% | 0.449 | C | S | . | . | G | 310 helix | trans | -105.8 | 14.8 | 178.3 | -78.2 | -176.6 | 0 | 0 | 0 | 113.4 | S6 E7 W23 V39 D41 Y63 M86 | S6-L9 PolarHBondContact O-N 3Å; E7-L9 VanDerWaalsContact C-N 3.3Å; E7-L9 PolarHBondContact O-N 3.46Å; L9-W23 HydrophobicContact CD2-CZ2 4.24Å; L9-W23 PolarHBondContact O-NE1 3.22Å; L9-V39 HydrophobicContact CD1-CG1 4.14Å; L9-V39 HydrophobicContact CD2-CG1 3.89Å; L9-D41 HydrophobicContact CD1-CB 3.74Å; L9-Y63 HydrophobicContact CD1-CD1 3.67Å; L9-Y63 HydrophobicContact CD1-CE1 4.06Å; L9-Y63 HydrophobicContact CD1-CG 4.36Å; L9-Y63 HydrophobicContact CD2-CD1 3.31Å; L9-Y63 HydrophobicContact CD2-CD2 3.82Å; L9-Y63 HydrophobicContact CD2-CE1 3.35Å; L9-Y63 HydrophobicContact CD2-CE2 3.83Å; L9-Y63 HydrophobicContact CD2-CG 3.53Å; L9-Y63 HydrophobicContact CG-CD1 3.5Å; L9-Y63 VanDerWaalsContact CG-CD1 3.5Å; L9-Y63 HydrophobicContact CG-CE1 3.4Å; L9-Y63 VanDerWaalsContact CG-CE1 3.4Å; L9-Y63 HydrophobicContact CG-CG 4.22Å; L9-M86 HydrophobicContact CD2-CE 3.91Å |
| 10 | S | 74.3 | Confident | 66.5 | Low | 60 Ų | 60 | 88.9 Ų | 88.9 | 42% | 0.42 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -77.8 | 145 | 172 | 63.2 | 0 | 0 | 0 | 0 | 111 | E7 P12 S263 | E7-S10 PolarHBondContact O-N 3.48Å; E7-S10 PolarHBondContact O-OG 3.22Å; S10-P12 WeakPolarHBondContact O-CD 3.46Å; S10-S263 WeakPolarHBondContact O-CB 3.43Å; S10-S263 PolarHBondContact O-OG 3.46Å |
| 11 | K | 78.6 | Confident | 67.7 | Low | 81 Ų | 81 | 86.4 Ų | 86.4 | 35% | 0.352 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -75.4 | 121.2 | 163.9 | 178.2 | 175 | -178.5 | 171.8 | 0 | 106.8 | E13 Y21 W23 T265 | K11-E13 PolarHBondContact O-N 3.33Å; K11-Y21 HydrophobicContact CD-CE2 3.99Å; K11-Y21 WeakPolarHBondContact CD-OH 3.49Å; K11-Y21 VanDerWaalsContact CE-OH 3.27Å; K11-Y21 WeakPolarHBondContact CE-OH 3.42Å; K11-Y21 WeakPolarHBondContact CG-OH 3.36Å; K11-W23 HydrophobicContact CB-CB 4.09Å; K11-W23 HydrophobicContact CB-CG 4.17Å; K11-W23 HydrophobicContact CD-CB 4.23Å; K11-T265 HydrophobicContact CB-CG2 4.44Å |
| 12 | P | 77.8 | Confident | 70 | Confident | 33 Ų | 33 | 87 Ų | 87 | 21% | 0.214 | 47% | 0.468 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 139.2 | 178.9 | -20.7 | 31.9 | 0 | 0 | 0 | 110.9 | S10 G14 E15 P262 | S10-P12 WeakPolarHBondContact O-CD 3.46Å; P12-G14 PolarHBondContact O-N 3.47Å; P12-E15 HydrophobicContact CB-CB 4.26Å; P12-E15 HydrophobicContact CG-CB 4.45Å; P12-E15 WeakPolarHBondContact O-CB 3.48Å; P12-E15 PolarHBondContact O-N 2.88Å; P12-E15 VanDerWaalsContact O-N 3.14Å; P12-P262 HydrophobicContact CG-CB 4.42Å; P12-P262 HydrophobicContact CG-CG 4.04Å |
| 13 | E | 76.7 | Confident | 72.4 | Confident | 202 Ų | 202 | 89 Ų | 89 | 94% | 0.944 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 128 | 171.6 | -71 | -175.3 | 174.2 | 0 | 0 | 109.8 | K11 E15 | K11-E13 PolarHBondContact O-N 3.33Å; E13-E15 VanDerWaalsContact C-N 3.33Å; E13-E15 PolarHBondContact O-N 3.35Å |
| 14 | G | 75.4 | Confident | 74.8 | Confident | 76 Ų | 76 | 91.3 Ų | 91.3 | 78% | 0.784 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | 15.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | P12 I16 | P12-G14 PolarHBondContact O-N 3.47Å; G14-I16 PolarHBondContact O-N 3.23Å; G14-I16 VanDerWaalsContact O-N 3.12Å |
| 15 | E | 81 | Confident | 77.1 | Confident | 45 Ų | 45 | 88.3 Ų | 88.3 | 21% | 0.21 | 47% | 0.47 | C | S | . | . | trans | -57.2 | 118.8 | 173.8 | -171.1 | -168.7 | -142.9 | 0 | 0 | 111 | P12 E13 Y21 T265 C266 | P12-E15 HydrophobicContact CB-CB 4.26Å; P12-E15 HydrophobicContact CG-CB 4.45Å; P12-E15 WeakPolarHBondContact O-CB 3.48Å; P12-E15 PolarHBondContact O-N 2.88Å; P12-E15 VanDerWaalsContact O-N 3.14Å; E13-E15 VanDerWaalsContact C-N 3.33Å; E13-E15 PolarHBondContact O-N 3.35Å; E15-Y21 PolarHBondContact OE2-OH 3.19Å; E15-T265 PolarHBondContact OE1-OG1 2.97Å; E15-T265 PolarHBondContact OE2-OG1 2.93Å; E15-T265 VanDerWaalsContact OE2-OG1 3.08Å; E15-C266 WeakPolarHBondContact OE1-CB 3.44Å | ||
| 16 | I | 82.8 | Confident | 79.1 | Confident | 165 Ų | 165 | 84.7 Ų | 84.7 | 85% | 0.846 | 45% | 0.454 | S | S | * | . | trans | -82.9 | 120.6 | 172.7 | -59.8 | 170.4 | 0 | 0 | 0 | 107.9 | G14 | G14-I16 PolarHBondContact O-N 3.23Å; G14-I16 VanDerWaalsContact O-N 3.12Å | ||
| 17 | C | 88.5 | Confident | 80.5 | Confident | 30 Ų | 30 | 89.8 Ų | 89.8 | 20% | 0.203 | 48% | 0.475 | C | S | . | . | trans | -129.4 | 144.4 | 176.7 | -168.3 | 0 | 0 | 0 | 0 | 109.8 | V19 Y21 C266 | C17-V19 PolarHBondContact O-N 3.19Å; C17-V19 WeakPolarHBondContact SG-CG2 3.39Å; C17-Y21 HydrophobicContact CB-CD1 4.44Å; C17-Y21 HydrophobicContact CB-CE1 3.87Å; C17-C266 WeakPolarHBondContact CA-SG 3.47Å; C17-C266 HydrophobicContact CB-CB 3.72Å; C17-C266 WeakPolarHBondContact CB-SG 3.31Å; C17-C266 WeakPolarHBondContact SG-CA 3.45Å; C17-C266 WeakPolarHBondContact SG-CB 3.48Å; C17-C266 CovalentContact SG-SG 2.03Å; C17-C266 PolarHBondContact SG-SG 3.33Å | ||
| 18 | E | 89.7 | Confident | 82 | Confident | 198 Ų | 198 | 88.8 Ų | 88.8 | 93% | 0.925 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -72.2 | -12.9 | 178 | -64.7 | 179.4 | 178 | 0 | 0 | 112.9 | ||
| 19 | V | 90.2 | Very high | 83.1 | Confident | 37 Ų | 37 | 90.5 Ų | 90.5 | 22% | 0.224 | 48% | 0.484 | C | S | . | . | S | Bend | trans | -118 | 144.3 | 177.8 | -62.8 | 0 | 0 | 0 | 0 | 111 | C17 Y21 A269 L273 | C17-V19 PolarHBondContact O-N 3.19Å; C17-V19 WeakPolarHBondContact SG-CG2 3.39Å; V19-Y21 HydrophobicContact CG2-CD1 4.36Å; V19-A269 HydrophobicContact CG2-CB 3.84Å; V19-L273 HydrophobicContact CB-CD1 3.64Å; V19-L273 HydrophobicContact CG1-CD1 3.99Å; V19-L273 HydrophobicContact CG2-CD1 3.98Å |
| 20 | E | 90.3 | Very high | 84 | Confident | 188 Ų | 188 | 93.9 Ų | 93.9 | 88% | 0.879 | 51% | 0.509 | S | S | * | . | trans | -79.7 | 129.9 | 170.8 | -169 | 179.6 | 176.8 | 0 | 0 | 109.9 | ||||
| 21 | Y | 91.1 | Very high | 84.7 | Confident | 37 Ų | 37 | 93.2 Ų | 93.2 | 15% | 0.145 | 50% | 0.5 | C | S | . | . | trans | -157.4 | 151.2 | 178.3 | 75.4 | -81.7 | 0 | 0 | 0 | 112 | K11 E15 C17 V19 W23 T265 C266 A269 | K11-Y21 HydrophobicContact CD-CE2 3.99Å; K11-Y21 WeakPolarHBondContact CD-OH 3.49Å; K11-Y21 VanDerWaalsContact CE-OH 3.27Å; K11-Y21 WeakPolarHBondContact CE-OH 3.42Å; K11-Y21 WeakPolarHBondContact CG-OH 3.36Å; E15-Y21 PolarHBondContact OE2-OH 3.19Å; C17-Y21 HydrophobicContact CB-CD1 4.44Å; C17-Y21 HydrophobicContact CB-CE1 3.87Å; V19-Y21 HydrophobicContact CG2-CD1 4.36Å; Y21-W23 HydrophobicContact CD2-CB 4.3Å; Y21-W23 HydrophobicContact CE2-CB 3.89Å; Y21-W23 HydrophobicContact CE2-CE3 4.27Å; Y21-T265 WeakPolarHBondContact OH-CB 3.47Å; Y21-T265 PolarHBondContact OH-OG1 3.03Å; Y21-C266 HydrophobicContact CE1-CB 4.34Å; Y21-C266 PolarHBondContact OH-N 3.1Å; Y21-A269 HydrophobicContact CD1-CB 3.69Å; Y21-A269 HydrophobicContact CD2-CB 3.88Å; Y21-A269 HydrophobicContact CE1-CB 4.3Å; Y21-A269 HydrophobicContact CE2-CB 4.44Å; Y21-A269 HydrophobicContact CG-CB 3.45Å; Y21-A269 VanDerWaalsContact CG-CB 3.45Å | ||
| 22 | S | 90.2 | Very high | 85.3 | Confident | 102 Ų | 102 | 89.9 Ų | 89.9 | 71% | 0.713 | 49% | 0.487 | S | S | * | . | trans | -100.9 | 136.7 | 173.1 | -165.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 23 | W | 90.3 | Very high | 85.9 | Confident | 56 Ų | 56 | 89.9 Ų | 89.9 | 21% | 0.212 | 49% | 0.493 | C | S | . | . | trans | -132.9 | 133.3 | 176.4 | -172.1 | -84.2 | 0 | 0 | 0 | 110.2 | L9 K11 Y21 V39 M86 T265 L268 | L9-W23 HydrophobicContact CD2-CZ2 4.24Å; L9-W23 PolarHBondContact O-NE1 3.22Å; K11-W23 HydrophobicContact CB-CB 4.09Å; K11-W23 HydrophobicContact CB-CG 4.17Å; K11-W23 HydrophobicContact CD-CB 4.23Å; Y21-W23 HydrophobicContact CD2-CB 4.3Å; Y21-W23 HydrophobicContact CE2-CB 3.89Å; Y21-W23 HydrophobicContact CE2-CE3 4.27Å; W23-V39 HydrophobicContact CH2-CB 4.11Å; W23-V39 HydrophobicContact CH2-CG1 4.36Å; W23-V39 HydrophobicContact CH2-CG2 3.53Å; W23-V39 HydrophobicContact CZ2-CB 4.45Å; W23-V39 HydrophobicContact CZ2-CG2 4.29Å; W23-V39 HydrophobicContact CZ3-CG2 4.04Å; W23-M86 HydrophobicContact CH2-CE 4.44Å; W23-T265 HydrophobicContact CD2-CG2 3.46Å; W23-T265 VanDerWaalsContact CD2-CG2 3.46Å; W23-T265 VanDerWaalsContact CE2-CG2 3.44Å; W23-T265 HydrophobicContact CE3-CG2 3.57Å; W23-T265 HydrophobicContact CG-CG2 4.09Å; W23-T265 HydrophobicContact CH2-CG2 3.62Å; W23-T265 HydrophobicContact CZ2-CG2 3.55Å; W23-T265 HydrophobicContact CZ3-CG2 3.65Å; W23-L268 HydrophobicContact CH2-CD2 4.06Å; W23-L268 HydrophobicContact CZ3-CD2 3.85Å | ||
| 24 | K | 87.6 | Confident | 86.6 | Confident | 153 Ų | 153 | 88.5 Ų | 88.5 | 67% | 0.665 | 48% | 0.483 | S | S | * | . | trans | -137.9 | 117.5 | 178.1 | -66.8 | -176 | -179.7 | 177.6 | 0 | 109.9 | S26 | K24-S26 PolarHBondContact O-N 3.06Š| ||
| 25 | S | 84.4 | Confident | 87.4 | Confident | 54 Ų | 54 | 87.1 Ų | 87.1 | 38% | 0.378 | 46% | 0.461 | S | S | . | . | trans | -69 | 123.3 | 160.2 | -177.6 | 0 | 0 | 0 | 0 | 107.9 | D5 | D5-S25 PolarHBondContact OD1-OG 3.07Š| ||
| 26 | S | 81.5 | Confident | 88 | Confident | 37 Ų | 37 | 91.7 Ų | 91.7 | 26% | 0.259 | 49% | 0.488 | S | S | . | . | trans | -160.4 | 150.8 | 178.1 | -159 | 0 | 0 | 0 | 0 | 113.7 | M1 K24 K28 | M1-S26 PolarHBondContact N-O 3.31Å; K24-S26 PolarHBondContact O-N 3.06Å; S26-K28 PolarHBondContact OG-N 2.72Å | ||
| 27 | K | 78.5 | Confident | 88.5 | Confident | 118 Ų | 118 | 85 Ų | 85 | 51% | 0.513 | 46% | 0.457 | S | S | . | . | trans | -98.8 | -1.9 | 168.2 | -53.6 | -176.6 | -165.5 | 178.2 | 0 | 112.8 | T2 E3 A29 | T2-K27 VanDerWaalsContact O-CD 3.27Å; T2-K27 WeakPolarHBondContact O-CD 3.46Å; T2-K27 WeakPolarHBondContact O-CE 3.34Å; T2-K27 WeakPolarHBondContact O-CG 3.3Å; E3-K27 VanDerWaalsContact C-NZ 3.33Å; E3-K27 WeakPolarHBondContact O-CE 3.42Å; E3-K27 PolarHBondContact O-NZ 2.91Å; K27-A29 PolarHBondContact O-N 3.44Å | ||
| 28 | K | 83.4 | Confident | 88.7 | Confident | 147 Ų | 147 | 84.7 Ų | 84.7 | 64% | 0.639 | 45% | 0.453 | S | S | * | . | trans | -73.7 | 114.1 | -175 | -66 | -177.6 | -179.1 | -178.3 | 0 | 111.5 | S26 S30 L31 | S26-K28 PolarHBondContact OG-N 2.72Å; K28-S30 PolarHBondContact O-N 3.15Å; K28-S30 VanDerWaalsContact O-N 3.17Å; K28-L31 HydrophobicContact CB-CD1 4.32Å; K28-L31 HydrophobicContact CB-CG 4.29Å; K28-L31 PolarHBondContact O-N 3.27Å; K28-L31 VanDerWaalsContact O-N 3.11Å | ||
| 29 | A | 83.9 | Confident | 88.8 | Confident | 69 Ų | 69 | 76.7 Ų | 76.7 | 57% | 0.57 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -58.2 | -28.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | K27 L31 V32 | K27-A29 PolarHBondContact O-N 3.44Å; A29-L31 PolarHBondContact O-N 3.45Å; A29-L31 VanDerWaalsContact O-N 3.13Å; A29-V32 VanDerWaalsContact O-CB 3.28Å; A29-V32 WeakPolarHBondContact O-CB 3.36Å; A29-V32 VanDerWaalsContact O-CG2 3.27Å; A29-V32 WeakPolarHBondContact O-CG2 3.44Å; A29-V32 PolarHBondContact O-N 3.23Å |
| 30 | S | 87.7 | Confident | 88.7 | Confident | 84 Ų | 84 | 75.1 Ų | 75.1 | 59% | 0.587 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -63.4 | -16.7 | 177.7 | 59.1 | 0 | 0 | 0 | 0 | 114.5 | K28 | K28-S30 PolarHBondContact O-N 3.15Å; K28-S30 VanDerWaalsContact O-N 3.17Å |
| 31 | L | 89.8 | Confident | 88.6 | Confident | 45 Ų | 45 | 66.2 Ų | 66.2 | 24% | 0.236 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -83.9 | -21.7 | 174.4 | -63.2 | 178 | 0 | 0 | 0 | 112.6 | K28 A29 G33 K34 S35 | K28-L31 HydrophobicContact CB-CD1 4.32Å; K28-L31 HydrophobicContact CB-CG 4.29Å; K28-L31 PolarHBondContact O-N 3.27Å; K28-L31 VanDerWaalsContact O-N 3.11Å; A29-L31 PolarHBondContact O-N 3.45Å; A29-L31 VanDerWaalsContact O-N 3.13Å; L31-G33 VanDerWaalsContact C-N 3.3Å; L31-G33 PolarHBondContact O-N 3.31Å; L31-K34 PolarHBondContact O-N 3.03Å; L31-S35 PolarHBondContact O-N 3.48Å; L31-S35 VanDerWaalsContact O-N 3.13Å; L31-S35 PolarHBondContact O-OG 2.86Å; L31-S35 VanDerWaalsContact O-OG 3.06Å |
| 32 | V | 90 | Very high | 88.3 | Confident | 12 Ų | 12 | 64.9 Ų | 64.9 | 7% | 0.073 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -53.8 | -48.7 | -178.7 | 175.1 | 0 | 0 | 0 | 0 | 110.2 | A29 K34 L38 L52 Q58 | A29-V32 VanDerWaalsContact O-CB 3.28Å; A29-V32 WeakPolarHBondContact O-CB 3.36Å; A29-V32 VanDerWaalsContact O-CG2 3.27Å; A29-V32 WeakPolarHBondContact O-CG2 3.44Å; A29-V32 PolarHBondContact O-N 3.23Å; V32-K34 VanDerWaalsContact C-N 3.25Å; V32-K34 PolarHBondContact O-N 3.46Å; V32-L38 HydrophobicContact CB-CD2 4.18Å; V32-L38 HydrophobicContact CG1-CD2 3.86Å; V32-L38 HydrophobicContact CG2-CD2 3.92Å; V32-L52 HydrophobicContact CG2-CD2 4.35Å; V32-Q58 PolarHBondContact O-NE2 3.15Å |
| 33 | G | 90.8 | Very high | 87.9 | Confident | 33 Ų | 33 | 65.3 Ų | 65.3 | 34% | 0.34 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -73.3 | -9.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L31 K55 | L31-G33 VanDerWaalsContact C-N 3.3Å; L31-G33 PolarHBondContact O-N 3.31Å; G33-K55 WeakPolarHBondContact O-CD 3.49Å; G33-K55 WeakPolarHBondContact O-CE 3.21Å; G33-K55 PolarHBondContact O-NZ 2.71Å |
| 34 | K | 91.1 | Very high | 87.4 | Confident | 173 Ų | 173 | 64.6 Ų | 64.6 | 75% | 0.752 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -105 | -11.9 | -176.3 | -65.4 | -175.9 | 178.7 | -175.4 | 0 | 113.4 | L31 V32 | L31-K34 PolarHBondContact O-N 3.03Å; V32-K34 VanDerWaalsContact C-N 3.25Å; V32-K34 PolarHBondContact O-N 3.46Å |
| 35 | S | 93.4 | Very high | 87 | Confident | 46 Ų | 46 | 58.1 Ų | 58.1 | 32% | 0.322 | 32% | 0.321 | S | S | . | . | trans | -93.4 | 137.6 | -175.9 | -59.2 | 0 | 0 | 0 | 0 | 111.8 | L31 A37 Q58 | L31-S35 PolarHBondContact O-N 3.48Å; L31-S35 VanDerWaalsContact O-N 3.13Å; L31-S35 PolarHBondContact O-OG 2.86Å; L31-S35 VanDerWaalsContact O-OG 3.06Å; S35-A37 VanDerWaalsContact C-N 3.29Å; S35-A37 WeakPolarHBondContact CB-O 3.48Å; S35-Q58 PolarHBondContact O-NE2 2.86Å | ||
| 36 | D | 92.6 | Very high | 86.7 | Confident | 142 Ų | 142 | 62.5 Ų | 62.5 | 76% | 0.759 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -70.4 | -30.1 | 171.3 | -55.5 | -62.7 | 0 | 0 | 0 | 112 | Q58 K59 | D36-Q58 CarbonylContact O-C 3.57Å; D36-Q58 VanDerWaalsContact O-CA 3.3Å; D36-Q58 WeakPolarHBondContact O-CA 3.2Å; D36-K59 PolarHBondContact O-N 3.31Å |
| 37 | A | 93.7 | Very high | 86.6 | Confident | 25 Ų | 25 | 65.3 Ų | 65.3 | 21% | 0.207 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 145.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S35 K59 V61 L272 | S35-A37 VanDerWaalsContact C-N 3.29Å; S35-A37 WeakPolarHBondContact CB-O 3.48Å; A37-K59 CarbonylContact C-O 3.44Å; A37-K59 WeakPolarHBondContact CA-O 3.38Å; A37-K59 HydrophobicContact CB-CB 4.13Å; A37-V61 HydrophobicContact CB-CG2 4.41Å; A37-L272 HydrophobicContact CB-CD1 3.6Å; A37-L272 HydrophobicContact CB-CD2 4.4Å |
| 38 | L | 92.6 | Very high | 86.8 | Confident | 23 Ų | 23 | 63 Ų | 63 | 12% | 0.12 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 125.2 | 170.3 | -77.5 | 79.9 | 0 | 0 | 0 | 108.7 | V32 F40 Q58 K59 F60 V61 | V32-L38 HydrophobicContact CB-CD2 4.18Å; V32-L38 HydrophobicContact CG1-CD2 3.86Å; V32-L38 HydrophobicContact CG2-CD2 3.92Å; L38-F40 HydrophobicContact CB-CD2 4.37Å; L38-F40 HydrophobicContact CB-CE2 3.57Å; L38-F40 HydrophobicContact CB-CZ 3.96Å; L38-F40 HydrophobicContact CD2-CE2 4.49Å; L38-F40 HydrophobicContact CD2-CZ 4.05Å; L38-Q58 HydrophobicContact CD1-CG 4Å; L38-K59 PolarHBondContact N-O 3.4Å; L38-F60 HydrophobicContact CB-CD1 4.02Å; L38-F60 HydrophobicContact CB-CE1 4.27Å; L38-F60 HydrophobicContact CD1-CD1 4.21Å; L38-F60 HydrophobicContact CD1-CE1 3.84Å; L38-F60 HydrophobicContact CD2-CE1 4.18Å; L38-F60 HydrophobicContact CG-CE1 4.32Å; L38-F60 CarbonylContact O-C 3.6Å; L38-F60 WeakPolarHBondContact O-CA 3.42Å; L38-V61 PolarHBondContact O-N 3.43Å |
| 39 | V | 91.9 | Very high | 86.9 | Confident | 29 Ų | 29 | 56.2 Ų | 56.2 | 18% | 0.176 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 126.8 | 177.2 | -172.2 | 0 | 0 | 0 | 0 | 109.2 | L9 W23 V61 Y63 M86 L268 | L9-V39 HydrophobicContact CD1-CG1 4.14Å; L9-V39 HydrophobicContact CD2-CG1 3.89Å; W23-V39 HydrophobicContact CH2-CB 4.11Å; W23-V39 HydrophobicContact CH2-CG1 4.36Å; W23-V39 HydrophobicContact CH2-CG2 3.53Å; W23-V39 HydrophobicContact CZ2-CB 4.45Å; W23-V39 HydrophobicContact CZ2-CG2 4.29Å; W23-V39 HydrophobicContact CZ3-CG2 4.04Å; V39-V61 HydrophobicContact CB-CB 4.42Å; V39-V61 HydrophobicContact CG1-CB 4.37Å; V39-V61 HydrophobicContact CG1-CG1 4.41Å; V39-V61 HydrophobicContact CG2-CB 4.03Å; V39-V61 HydrophobicContact CG2-CG2 4.19Å; V39-Y63 HydrophobicContact CG1-CG 4.24Å; V39-M86 HydrophobicContact CG1-CE 3.81Å; V39-L268 HydrophobicContact CG2-CD2 3.49Å; V39-L268 VanDerWaalsContact CG2-CD2 3.49Å |
| 40 | F | 88.8 | Confident | 86.8 | Confident | 5 Ų | 5 | 56 Ų | 56 | 2% | 0.022 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 113.4 | -179.3 | -62 | -96.9 | 0 | 0 | 0 | 108.5 | L38 F42 V45 A49 L52 F60 V61 Y63 F81 F82 | L38-F40 HydrophobicContact CB-CD2 4.37Å; L38-F40 HydrophobicContact CB-CE2 3.57Å; L38-F40 HydrophobicContact CB-CZ 3.96Å; L38-F40 HydrophobicContact CD2-CE2 4.49Å; L38-F40 HydrophobicContact CD2-CZ 4.05Å; F40-F42 PolarHBondContact O-N 2.84Å; F40-V45 HydrophobicContact CB-CG2 4.28Å; F40-V45 HydrophobicContact CD1-CG2 3.98Å; F40-V45 HydrophobicContact CG-CG2 4.46Å; F40-A49 HydrophobicContact CE1-CB 4.11Å; F40-L52 HydrophobicContact CE1-CD1 3.81Å; F40-L52 HydrophobicContact CZ-CD1 3.9Å; F40-F60 HydrophobicContact CE2-CB 3.9Å; F40-F60 HydrophobicContact CE2-CD1 4.18Å; F40-F60 AromaticContact CE2-CD2 3.98Å; F40-F60 HydrophobicContact CE2-CD2 3.98Å; F40-F60 AromaticContact CE2-CG 3.75Å; F40-F60 HydrophobicContact CE2-CG 3.75Å; F40-F60 HydrophobicContact CZ-CD2 4.15Å; F40-F60 HydrophobicContact CZ-CE2 4.33Å; F40-F60 HydrophobicContact CZ-CG 4.31Å; F40-V61 PolarHBondContact N-O 3.16Å; F40-Y63 WeakPolarHBondContact O-CB 3.04Å; F40-Y63 PolarHBondContact O-N 3.25Å; F40-F81 HydrophobicContact CD2-CE1 4.43Å; F40-F81 HydrophobicContact CE1-CE1 4.23Å; F40-F81 HydrophobicContact CE1-CZ 4.24Å; F40-F81 HydrophobicContact CE2-CE1 4.1Å; F40-F81 HydrophobicContact CE2-CZ 4.35Å; F40-F81 AromaticContact CZ-CE1 3.99Å; F40-F81 HydrophobicContact CZ-CE1 3.99Å; F40-F81 AromaticContact CZ-CZ 3.89Å; F40-F81 HydrophobicContact CZ-CZ 3.89Å; F40-F82 HydrophobicContact CB-CE1 3.79Å; F40-F82 HydrophobicContact CB-CZ 4.33Å; F40-F82 HydrophobicContact CD2-CD1 4.28Å; F40-F82 AromaticContact CD2-CE1 3.71Å; F40-F82 HydrophobicContact CD2-CE1 3.71Å; F40-F82 HydrophobicContact CE2-CE1 4.49Å; F40-F82 AromaticContact CG-CE1 3.85Å; F40-F82 HydrophobicContact CG-CE1 3.85Å |
| 41 | D | 87.7 | Confident | 86.8 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 117.7 | 165 | -167.1 | -33.5 | 0 | 0 | 0 | 107.9 | T2 S6 L9 R43 D44 V45 Y63 | T2-D41 HydrophobicContact CG2-CB 3.8Å; S6-D41 WeakPolarHBondContact CB-OD2 3.37Å; S6-D41 PolarHBondContact OG-OD2 3.26Å; L9-D41 HydrophobicContact CD1-CB 3.74Å; D41-R43 PolarHBondContact O-N 3.46Å; D41-R43 WeakPolarHBondContact OD1-CB 3.43Å; D41-R43 PolarHBondContact OD1-N 3.45Å; D41-R43 IonicContact OD1-NE 2.63Å; D41-R43 PolarHBondContact OD1-NE 3.23Å; D41-R43 IonicContact OD2-CZ 3.89Å; D41-R43 IonicContact OD2-NE 2.84Å; D41-R43 IonicContact OD2-NH2 2.61Å; D41-R43 PolarHBondContact OD2-NH2 2.97Å; D41-D44 HydrophobicContact CB-CB 4.48Å; D41-D44 CarbonylContact O-C 3.53Å; D41-D44 PolarHBondContact O-N 2.97Å; D41-V45 PolarHBondContact O-N 2.63Å; D41-Y63 HydrophobicContact CB-CD1 4.22Å |
| 42 | F | 84.7 | Confident | 86.7 | Confident | 9 Ų | 9 | 59.2 Ų | 59.2 | 4% | 0.039 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -20.2 | -172.5 | -168.2 | -126.1 | 0 | 0 | 0 | 112.6 | F40 D44 V45 F62 Y63 H71 L75 Y288 | F40-F42 PolarHBondContact O-N 2.84Å; F42-D44 VanDerWaalsContact C-N 3.28Å; F42-V45 HydrophobicContact CD2-CG1 3.55Å; F42-V45 HydrophobicContact CE2-CG1 3.72Å; F42-F62 HydrophobicContact CB-CD2 4.48Å; F42-F62 HydrophobicContact CB-CE2 3.91Å; F42-F62 HydrophobicContact CB-CZ 3.93Å; F42-F62 AromaticContact CD1-CE2 3.52Å; F42-F62 HydrophobicContact CD1-CE2 3.52Å; F42-F62 AromaticContact CD1-CZ 3.42Å; F42-F62 HydrophobicContact CD1-CZ 3.42Å; F42-F62 VanDerWaalsContact CD1-CZ 3.42Å; F42-F62 AromaticContact CD2-CD2 3.83Å; F42-F62 HydrophobicContact CD2-CD2 3.83Å; F42-F62 AromaticContact CD2-CE2 3.23Å; F42-F62 HydrophobicContact CD2-CE2 3.23Å; F42-F62 AromaticContact CD2-CZ 3.99Å; F42-F62 HydrophobicContact CD2-CZ 3.99Å; F42-F62 AromaticContact CE1-CE2 3.96Å; F42-F62 HydrophobicContact CE1-CE2 3.96Å; F42-F62 HydrophobicContact CE1-CZ 4.07Å; F42-F62 HydrophobicContact CE2-CD2 4.42Å; F42-F62 AromaticContact CE2-CE2 3.69Å; F42-F62 HydrophobicContact CE2-CE2 3.69Å; F42-F62 HydrophobicContact CG-CD2 4.08Å; F42-F62 HydrophobicContact CG-CE1 4.5Å; F42-F62 AromaticContact CG-CE2 3.22Å; F42-F62 HydrophobicContact CG-CE2 3.22Å; F42-F62 AromaticContact CG-CZ 3.47Å; F42-F62 HydrophobicContact CG-CZ 3.47Å; F42-F62 VanDerWaalsContact CG-CZ 3.47Å; F42-F62 HydrophobicContact CZ-CE2 4.08Å; F42-Y63 VanDerWaalsContact CB-O 3.25Å; F42-Y63 WeakPolarHBondContact CB-O 3.26Å; F42-Y63 PolarHBondContact N-O 3.41Å; F42-H71 HydrophobicContact CD1-CB 4.18Å; F42-H71 AromaticContact CD1-CD2 3.06Å; F42-H71 WeakPolarHBondContact CD1-CD2 3.45Å; F42-H71 AromaticContact CD1-CE1 3.92Å; F42-H71 AromaticContact CD1-CG 3.49Å; F42-H71 VanDerWaalsContact CD1-CG 3.49Å; F42-H71 AromaticContact CD1-ND1 3.99Å; F42-H71 AromaticContact CD1-NE2 3.36Å; F42-H71 WeakPolarHBondContact CD1-NE2 3.42Å; F42-H71 HydrophobicContact CE1-CB 3.79Å; F42-H71 AromaticContact CE1-CD2 3.62Å; F42-H71 AromaticContact CE1-CG 3.58Å; F42-H71 AromaticContact CG-CD2 3.8Å; F42-L75 HydrophobicContact CD2-CD1 4.27Å; F42-L75 HydrophobicContact CE1-CD1 4.31Å; F42-L75 HydrophobicContact CE2-CD1 3.16Å; F42-L75 HydrophobicContact CE2-CD2 3.23Å; F42-L75 HydrophobicContact CE2-CG 3.55Å; F42-L75 HydrophobicContact CZ-CD1 3.22Å; F42-L75 HydrophobicContact CZ-CD2 3.42Å; F42-L75 VanDerWaalsContact CZ-CD2 3.42Å; F42-L75 HydrophobicContact CZ-CG 3.38Å; F42-Y288 HydrophobicContact CZ-CD2 4.46Å; F42-Y288 HydrophobicContact CZ-CE2 4.3Å |
| 43 | R | 81.9 | Confident | 86.7 | Confident | 112 Ų | 112 | 63.4 Ų | 63.4 | 42% | 0.423 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -28.2 | 172.5 | -63.3 | 178.2 | -63.2 | 164.7 | 7.7 | 112.7 | S6 D41 | S6-R43 PolarHBondContact OG-NH2 2.91Å; D41-R43 PolarHBondContact O-N 3.46Å; D41-R43 WeakPolarHBondContact OD1-CB 3.43Å; D41-R43 PolarHBondContact OD1-N 3.45Å; D41-R43 IonicContact OD1-NE 2.63Å; D41-R43 PolarHBondContact OD1-NE 3.23Å; D41-R43 IonicContact OD2-CZ 3.89Å; D41-R43 IonicContact OD2-NE 2.84Å; D41-R43 IonicContact OD2-NH2 2.61Å; D41-R43 PolarHBondContact OD2-NH2 2.97Å |
| 44 | D | 79.6 | Confident | 86.6 | Confident | 40 Ų | 40 | 65.9 Ų | 65.9 | 21% | 0.214 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | 1.2 | -171.3 | -54.7 | -36.7 | 0 | 0 | 0 | 112.8 | T2 D41 F42 R46 | T2-D44 WeakPolarHBondContact CB-OD2 3.34Å; T2-D44 HydrophobicContact CG2-CB 3.78Å; D41-D44 HydrophobicContact CB-CB 4.48Å; D41-D44 CarbonylContact O-C 3.53Å; D41-D44 PolarHBondContact O-N 2.97Å; F42-D44 VanDerWaalsContact C-N 3.28Å; D44-R46 PolarHBondContact O-N 3.4Å |
| 45 | V | 79.1 | Confident | 86.6 | Confident | 17 Ų | 17 | 63.7 Ų | 63.7 | 10% | 0.103 | 32% | 0.321 | C | S | . | . | trans | -71.9 | 120.8 | -179 | 73.6 | 0 | 0 | 0 | 0 | 110.1 | F40 D41 F42 A49 M78 F82 | F40-V45 HydrophobicContact CB-CG2 4.28Å; F40-V45 HydrophobicContact CD1-CG2 3.98Å; F40-V45 HydrophobicContact CG-CG2 4.46Å; D41-V45 PolarHBondContact O-N 2.63Å; F42-V45 HydrophobicContact CD2-CG1 3.55Å; F42-V45 HydrophobicContact CE2-CG1 3.72Å; V45-A49 HydrophobicContact CG2-CB 3.98Å; V45-M78 HydrophobicContact CG2-CE 4.02Å; V45-F82 HydrophobicContact CG2-CZ 4.43Å | ||
| 46 | R | 79 | Confident | 86.4 | Confident | 147 Ų | 147 | 69 Ų | 69 | 56% | 0.555 | 35% | 0.352 | S | S | * | . | trans | -86.7 | 145.3 | 174.2 | -64.1 | -177.3 | 174.7 | -176.2 | -1.8 | 109.9 | E3 D44 S48 A49 | E3-R46 IonicContact OE1-CZ 3.13Å; E3-R46 IonicContact OE1-NE 2.65Å; E3-R46 PolarHBondContact OE1-NE 3.13Å; E3-R46 IonicContact OE1-NH2 3.17Å; E3-R46 PolarHBondContact OE1-NH2 2.85Å; D44-R46 PolarHBondContact O-N 3.4Å; R46-S48 PolarHBondContact O-N 3.2Å; R46-S48 VanDerWaalsContact O-N 3.1Å; R46-A49 WeakPolarHBondContact O-CB 3.25Å; R46-A49 PolarHBondContact O-N 2.9Å | ||
| 47 | L | 79.3 | Confident | 86.3 | Confident | 96 Ų | 96 | 65.4 Ų | 65.4 | 50% | 0.503 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -54 | -32.2 | 175.3 | -72.5 | 173.8 | 0 | 0 | 0 | 112.5 | A49 I50 | L47-A49 PolarHBondContact O-N 3.25Å; L47-A49 VanDerWaalsContact O-N 3.07Å; L47-I50 WeakPolarHBondContact O-CG1 3.23Å; L47-I50 WeakPolarHBondContact O-CG2 3.26Å; L47-I50 PolarHBondContact O-N 3.4Å |
| 48 | S | 82.6 | Confident | 86.2 | Confident | 68 Ų | 68 | 64.7 Ų | 64.7 | 48% | 0.476 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -62.3 | -14.5 | 176.6 | 57.2 | 0 | 0 | 0 | 0 | 114.4 | R46 I50 F51 | R46-S48 PolarHBondContact O-N 3.2Å; R46-S48 VanDerWaalsContact O-N 3.1Å; S48-I50 PolarHBondContact O-N 3.4Å; S48-F51 WeakPolarHBondContact O-CD2 3.35Å; S48-F51 PolarHBondContact O-N 3.33Å |
| 49 | A | 84.7 | Confident | 86.2 | Confident | 5 Ų | 5 | 67 Ų | 67 | 4% | 0.041 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -60 | -25.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F40 V45 R46 L47 F51 L52 F81 | F40-A49 HydrophobicContact CE1-CB 4.11Å; V45-A49 HydrophobicContact CG2-CB 3.98Å; R46-A49 WeakPolarHBondContact O-CB 3.25Å; R46-A49 PolarHBondContact O-N 2.9Å; L47-A49 PolarHBondContact O-N 3.25Å; L47-A49 VanDerWaalsContact O-N 3.07Å; A49-F51 PolarHBondContact O-N 2.88Å; A49-F51 VanDerWaalsContact O-N 3.08Å; A49-L52 HydrophobicContact CB-CD1 4.2Å; A49-L52 VanDerWaalsContact O-CB 3.3Å; A49-L52 WeakPolarHBondContact O-CB 3.32Å; A49-L52 VanDerWaalsContact O-CG 3.32Å; A49-L52 WeakPolarHBondContact O-CG 3.16Å; A49-L52 PolarHBondContact O-N 3.29Å; A49-F81 HydrophobicContact CB-CE1 4.3Å; A49-F81 HydrophobicContact CB-CZ 3.99Å; A49-F81 WeakPolarHBondContact O-CE2 3.14Å; A49-F81 WeakPolarHBondContact O-CZ 3.5Å |
| 50 | I | 82.8 | Confident | 86.2 | Confident | 64 Ų | 64 | 65.6 Ų | 65.6 | 33% | 0.328 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -59.3 | -21.9 | 178 | 70.8 | -172.4 | 0 | 0 | 0 | 113.5 | L47 S48 M78 F81 | L47-I50 WeakPolarHBondContact O-CG1 3.23Å; L47-I50 WeakPolarHBondContact O-CG2 3.26Å; L47-I50 PolarHBondContact O-N 3.4Å; S48-I50 PolarHBondContact O-N 3.4Å; I50-M78 HydrophobicContact CG2-CE 4.33Å; I50-M78 HydrophobicContact CG2-CG 3.69Å; I50-M78 HydrophobicContact CG2-SD 4.34Å; I50-F81 HydrophobicContact CB-CD2 4.47Å; I50-F81 HydrophobicContact CG2-CD2 4.44Å |
| 51 | F | 86.5 | Confident | 86.3 | Confident | 167 Ų | 167 | 65.4 Ų | 65.4 | 73% | 0.732 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -89.3 | 0.4 | 178.6 | -56.9 | -67.4 | 0 | 0 | 0 | 113.6 | S48 A49 | S48-F51 WeakPolarHBondContact O-CD2 3.35Å; S48-F51 PolarHBondContact O-N 3.33Å; A49-F51 PolarHBondContact O-N 2.88Å; A49-F51 VanDerWaalsContact O-N 3.08Å |
| 52 | L | 88.1 | Confident | 86.4 | Confident | 31 Ų | 31 | 65.4 Ų | 65.4 | 16% | 0.162 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -66.8 | 131.1 | 178.4 | -71.7 | 172 | 0 | 0 | 0 | 110.6 | M1 V32 F40 A49 K54 F60 | M1-L52 HydrophobicContact CE-CD2 4.37Å; M1-L52 HydrophobicContact SD-CD1 3.72Å; M1-L52 HydrophobicContact SD-CD2 3.75Å; M1-L52 HydrophobicContact SD-CG 4.31Å; V32-L52 HydrophobicContact CG2-CD2 4.35Å; F40-L52 HydrophobicContact CE1-CD1 3.81Å; F40-L52 HydrophobicContact CZ-CD1 3.9Å; A49-L52 HydrophobicContact CB-CD1 4.2Å; A49-L52 VanDerWaalsContact O-CB 3.3Å; A49-L52 WeakPolarHBondContact O-CB 3.32Å; A49-L52 VanDerWaalsContact O-CG 3.32Å; A49-L52 WeakPolarHBondContact O-CG 3.16Å; A49-L52 PolarHBondContact O-N 3.29Å; L52-K54 PolarHBondContact O-N 2.98Å; L52-F60 HydrophobicContact CB-CE2 4.23Å; L52-F60 HydrophobicContact CB-CZ 4.22Å |
| 53 | P | 89.2 | Confident | 86.7 | Confident | 99 Ų | 99 | 65.1 Ų | 65.1 | 64% | 0.643 | 34% | 0.339 | S | S | * | . | trans | -67.6 | 132 | 175.7 | 29 | -33.8 | 0 | 0 | 0 | 109.2 | ||||
| 54 | K | 90 | Very high | 87.1 | Confident | 85 Ų | 85 | 59.8 Ų | 59.8 | 37% | 0.37 | 32% | 0.319 | S | S | . | . | trans | -111 | 120.6 | 177 | -174.6 | 173.6 | 167.8 | -168.2 | 0 | 110 | L52 Q58 F60 D83 | L52-K54 PolarHBondContact O-N 2.98Å; K54-Q58 WeakPolarHBondContact CE-O 3.39Å; K54-Q58 HydrophobicContact CG-CB 4.26Å; K54-F60 HydrophobicContact CB-CE1 4.06Å; K54-F60 HydrophobicContact CB-CE2 4.12Å; K54-F60 HydrophobicContact CB-CZ 3.7Å; K54-F60 HydrophobicContact CD-CD1 4.08Å; K54-F60 HydrophobicContact CD-CD2 4.12Å; K54-F60 HydrophobicContact CD-CE1 4.14Å; K54-F60 HydrophobicContact CD-CE2 4.2Å; K54-F60 HydrophobicContact CD-CG 4.07Å; K54-F60 HydrophobicContact CD-CZ 4.22Å; K54-F60 HydrophobicContact CG-CD1 4.17Å; K54-F60 HydrophobicContact CG-CE1 3.8Å; K54-F60 HydrophobicContact CG-CE2 4.4Å; K54-F60 HydrophobicContact CG-CZ 3.95Å; K54-D83 WeakPolarHBondContact CE-OD2 3.45Å; K54-D83 IonicContact NZ-OD1 2.64Å; K54-D83 PolarHBondContact NZ-OD1 2.91Å; K54-D83 IonicContact NZ-OD2 3.01Å; K54-D83 PolarHBondContact NZ-OD2 3.21Å | ||
| 55 | K | 91 | Very high | 87.7 | Confident | 127 Ų | 127 | 58.6 Ų | 58.6 | 55% | 0.552 | 31% | 0.311 | S | S | * | . | trans | -72.8 | 154.3 | 178.4 | -70.4 | -173.6 | 170.3 | -170.7 | 0 | 111.2 | G33 G57 Q58 | G33-K55 WeakPolarHBondContact O-CD 3.49Å; G33-K55 WeakPolarHBondContact O-CE 3.21Å; G33-K55 PolarHBondContact O-NZ 2.71Å; K55-G57 PolarHBondContact O-N 3.04Å; K55-Q58 HydrophobicContact CB-CB 4.11Å; K55-Q58 VanDerWaalsContact N-OE1 3.09Å; K55-Q58 VanDerWaalsContact O-CB 3.25Å; K55-Q58 WeakPolarHBondContact O-CB 3.41Å; K55-Q58 PolarHBondContact O-N 3.21Å | ||
| 56 | V | 89.6 | Confident | 88.3 | Confident | 159 Ų | 159 | 59.4 Ų | 59.4 | 96% | 0.964 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 129.2 | 170.7 | 179.7 | 0 | 0 | 0 | 0 | 109 | Q58 | V56-Q58 VanDerWaalsContact C-N 3.28Å; V56-Q58 PolarHBondContact O-N 3.19Å |
| 57 | G | 89.3 | Confident | 88.9 | Confident | 66 Ų | 66 | 52.4 Ų | 52.4 | 68% | 0.68 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.5 | -19 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | K55 | K55-G57 PolarHBondContact O-N 3.04Š|
| 58 | Q | 92.8 | Very high | 89.2 | Confident | 9 Ų | 9 | 49.4 Ų | 49.4 | 4% | 0.042 | 27% | 0.273 | C | S | . | . | trans | -69.8 | 142.4 | -179.8 | -177 | 174.3 | 62.4 | 0 | 0 | 112.1 | V32 S35 D36 L38 K54 K55 V56 F60 | V32-Q58 PolarHBondContact O-NE2 3.15Å; S35-Q58 PolarHBondContact O-NE2 2.86Å; D36-Q58 CarbonylContact O-C 3.57Å; D36-Q58 VanDerWaalsContact O-CA 3.3Å; D36-Q58 WeakPolarHBondContact O-CA 3.2Å; L38-Q58 HydrophobicContact CD1-CG 4Å; K54-Q58 WeakPolarHBondContact CE-O 3.39Å; K54-Q58 HydrophobicContact CG-CB 4.26Å; K55-Q58 HydrophobicContact CB-CB 4.11Å; K55-Q58 VanDerWaalsContact N-OE1 3.09Å; K55-Q58 VanDerWaalsContact O-CB 3.25Å; K55-Q58 WeakPolarHBondContact O-CB 3.41Å; K55-Q58 PolarHBondContact O-N 3.21Å; V56-Q58 VanDerWaalsContact C-N 3.28Å; V56-Q58 PolarHBondContact O-N 3.19Å; Q58-F60 HydrophobicContact CG-CD1 4.34Å; Q58-F60 HydrophobicContact CG-CE1 4.11Å | ||
| 59 | K | 91.8 | Very high | 89.5 | Confident | 71 Ų | 71 | 47.4 Ų | 47.4 | 31% | 0.309 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 128.6 | 179.7 | -61.7 | -61.3 | 179.4 | -176.1 | 0 | 113.1 | D36 A37 L38 D83 M84 L272 | D36-K59 PolarHBondContact O-N 3.31Å; A37-K59 CarbonylContact C-O 3.44Å; A37-K59 WeakPolarHBondContact CA-O 3.38Å; A37-K59 HydrophobicContact CB-CB 4.13Å; L38-K59 PolarHBondContact N-O 3.4Å; K59-D83 WeakPolarHBondContact CA-OD2 3.43Å; K59-D83 HydrophobicContact CD-CB 3.71Å; K59-D83 IonicContact NZ-OD1 3.21Å; K59-M84 HydrophobicContact CB-SD 4.49Å; K59-L272 HydrophobicContact CB-CD2 4Å; K59-L272 HydrophobicContact CG-CD2 3.77Å |
| 60 | F | 91.6 | Very high | 89.5 | Confident | 1 Ų | 1 | 49 Ų | 49 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 116.9 | 169.5 | -74.3 | 11.3 | 0 | 0 | 0 | 108.2 | L38 F40 L52 K54 Q58 F81 F82 D83 | L38-F60 HydrophobicContact CB-CD1 4.02Å; L38-F60 HydrophobicContact CB-CE1 4.27Å; L38-F60 HydrophobicContact CD1-CD1 4.21Å; L38-F60 HydrophobicContact CD1-CE1 3.84Å; L38-F60 HydrophobicContact CD2-CE1 4.18Å; L38-F60 HydrophobicContact CG-CE1 4.32Å; L38-F60 CarbonylContact O-C 3.6Å; L38-F60 WeakPolarHBondContact O-CA 3.42Å; F40-F60 HydrophobicContact CE2-CB 3.9Å; F40-F60 HydrophobicContact CE2-CD1 4.18Å; F40-F60 AromaticContact CE2-CD2 3.98Å; F40-F60 HydrophobicContact CE2-CD2 3.98Å; F40-F60 AromaticContact CE2-CG 3.75Å; F40-F60 HydrophobicContact CE2-CG 3.75Å; F40-F60 HydrophobicContact CZ-CD2 4.15Å; F40-F60 HydrophobicContact CZ-CE2 4.33Å; F40-F60 HydrophobicContact CZ-CG 4.31Å; L52-F60 HydrophobicContact CB-CE2 4.23Å; L52-F60 HydrophobicContact CB-CZ 4.22Å; K54-F60 HydrophobicContact CB-CE1 4.06Å; K54-F60 HydrophobicContact CB-CE2 4.12Å; K54-F60 HydrophobicContact CB-CZ 3.7Å; K54-F60 HydrophobicContact CD-CD1 4.08Å; K54-F60 HydrophobicContact CD-CD2 4.12Å; K54-F60 HydrophobicContact CD-CE1 4.14Å; K54-F60 HydrophobicContact CD-CE2 4.2Å; K54-F60 HydrophobicContact CD-CG 4.07Å; K54-F60 HydrophobicContact CD-CZ 4.22Å; K54-F60 HydrophobicContact CG-CD1 4.17Å; K54-F60 HydrophobicContact CG-CE1 3.8Å; K54-F60 HydrophobicContact CG-CE2 4.4Å; K54-F60 HydrophobicContact CG-CZ 3.95Å; Q58-F60 HydrophobicContact CG-CD1 4.34Å; Q58-F60 HydrophobicContact CG-CE1 4.11Å; F60-F81 HydrophobicContact CD2-CD1 4.32Å; F60-F81 HydrophobicContact CD2-CD2 4.07Å; F60-F81 AromaticContact CD2-CE1 3.78Å; F60-F81 HydrophobicContact CD2-CE1 3.78Å; F60-F81 AromaticContact CD2-CE2 3.49Å; F60-F81 HydrophobicContact CD2-CE2 3.49Å; F60-F81 VanDerWaalsContact CD2-CE2 3.49Å; F60-F81 HydrophobicContact CD2-CG 4.46Å; F60-F81 AromaticContact CD2-CZ 3.33Å; F60-F81 HydrophobicContact CD2-CZ 3.33Å; F60-F81 HydrophobicContact CE2-CD2 4.33Å; F60-F81 HydrophobicContact CE2-CE1 4.37Å; F60-F81 AromaticContact CE2-CE2 3.44Å; F60-F81 HydrophobicContact CE2-CE2 3.44Å; F60-F81 VanDerWaalsContact CE2-CE2 3.44Å; F60-F81 AromaticContact CE2-CZ 3.48Å; F60-F81 HydrophobicContact CE2-CZ 3.48Å; F60-F81 VanDerWaalsContact CE2-CZ 3.48Å; F60-F81 HydrophobicContact CG-CZ 4.5Å; F60-F82 HydrophobicContact CB-CD1 4.37Å; F60-F82 CarbonylContact O-C 3.57Å; F60-F82 WeakPolarHBondContact O-CA 3.25Å; F60-D83 PolarHBondContact N-OD2 3.24Å; F60-D83 PolarHBondContact O-N 2.95Å |
| 61 | V | 90.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 121.1 | -172.4 | -174.9 | 0 | 0 | 0 | 0 | 109.3 | A37 L38 V39 F40 Y63 M84 M86 L268 | A37-V61 HydrophobicContact CB-CG2 4.41Å; L38-V61 PolarHBondContact O-N 3.43Å; V39-V61 HydrophobicContact CB-CB 4.42Å; V39-V61 HydrophobicContact CG1-CB 4.37Å; V39-V61 HydrophobicContact CG1-CG1 4.41Å; V39-V61 HydrophobicContact CG2-CB 4.03Å; V39-V61 HydrophobicContact CG2-CG2 4.19Å; F40-V61 PolarHBondContact N-O 3.16Å; V61-Y63 PolarHBondContact O-N 3.05Å; V61-M84 WeakPolarHBondContact CA-O 3.38Å; V61-M84 HydrophobicContact CB-CG 4.16Å; V61-M84 HydrophobicContact CG1-CG 4.05Å; V61-M84 HydrophobicContact CG2-CG 3.7Å; V61-M84 HydrophobicContact CG2-SD 3.83Å; V61-M86 HydrophobicContact CG1-CB 3.77Å; V61-L268 HydrophobicContact CG1-CD1 4.36Å; V61-L268 HydrophobicContact CG1-CD2 4.27Å; V61-L268 HydrophobicContact CG2-CD1 4.1Å; V61-L268 HydrophobicContact CG2-CD2 4.2Å |
| 62 | F | 89.6 | Confident | 88.2 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 117.7 | 167.1 | 175.6 | -83.8 | 0 | 0 | 0 | 108.5 | F42 L75 F82 M84 M86 T87 W291 | F42-F62 HydrophobicContact CB-CD2 4.48Å; F42-F62 HydrophobicContact CB-CE2 3.91Å; F42-F62 HydrophobicContact CB-CZ 3.93Å; F42-F62 AromaticContact CD1-CE2 3.52Å; F42-F62 HydrophobicContact CD1-CE2 3.52Å; F42-F62 AromaticContact CD1-CZ 3.42Å; F42-F62 HydrophobicContact CD1-CZ 3.42Å; F42-F62 VanDerWaalsContact CD1-CZ 3.42Å; F42-F62 AromaticContact CD2-CD2 3.83Å; F42-F62 HydrophobicContact CD2-CD2 3.83Å; F42-F62 AromaticContact CD2-CE2 3.23Å; F42-F62 HydrophobicContact CD2-CE2 3.23Å; F42-F62 AromaticContact CD2-CZ 3.99Å; F42-F62 HydrophobicContact CD2-CZ 3.99Å; F42-F62 AromaticContact CE1-CE2 3.96Å; F42-F62 HydrophobicContact CE1-CE2 3.96Å; F42-F62 HydrophobicContact CE1-CZ 4.07Å; F42-F62 HydrophobicContact CE2-CD2 4.42Å; F42-F62 AromaticContact CE2-CE2 3.69Å; F42-F62 HydrophobicContact CE2-CE2 3.69Å; F42-F62 HydrophobicContact CG-CD2 4.08Å; F42-F62 HydrophobicContact CG-CE1 4.5Å; F42-F62 AromaticContact CG-CE2 3.22Å; F42-F62 HydrophobicContact CG-CE2 3.22Å; F42-F62 AromaticContact CG-CZ 3.47Å; F42-F62 HydrophobicContact CG-CZ 3.47Å; F42-F62 VanDerWaalsContact CG-CZ 3.47Å; F42-F62 HydrophobicContact CZ-CE2 4.08Å; F62-L75 HydrophobicContact CE2-CD1 4.48Å; F62-F82 HydrophobicContact CB-CB 4.1Å; F62-F82 HydrophobicContact CB-CD1 3.98Å; F62-F82 HydrophobicContact CB-CD2 4.05Å; F62-F82 HydrophobicContact CB-CE1 4.4Å; F62-F82 HydrophobicContact CB-CE2 4.45Å; F62-F82 HydrophobicContact CB-CG 3.78Å; F62-F82 AromaticContact CD2-CD2 3.94Å; F62-F82 HydrophobicContact CD2-CD2 3.94Å; F62-F82 AromaticContact CD2-CE2 3.76Å; F62-F82 HydrophobicContact CD2-CE2 3.76Å; F62-F82 HydrophobicContact CD2-CZ 4.21Å; F62-M84 PolarHBondContact N-O 2.92Å; F62-M86 PolarHBondContact O-N 2.86Å; F62-T87 HydrophobicContact CD1-CG2 3.71Å; F62-T87 HydrophobicContact CE1-CG2 3.64Å; F62-W291 HydrophobicContact CE1-CD2 4.04Å; F62-W291 HydrophobicContact CE1-CE3 4.46Å; F62-W291 HydrophobicContact CE1-CG 4.23Å; F62-W291 AromaticContact CZ-CD1 3.7Å; F62-W291 HydrophobicContact CZ-CD2 4.13Å; F62-W291 AromaticContact CZ-CG 3.92Å; F62-W291 HydrophobicContact CZ-CG 3.92Å; F62-W291 AromaticContact CZ-NE1 3.76Å |
| 63 | Y | 90.9 | Very high | 86.9 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.008 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 127.9 | 174.7 | 169.6 | -100.6 | 0 | 0 | 0 | 111.9 | S8 L9 V39 F40 D41 F42 V61 R65 M86 | S8-Y63 WeakPolarHBondContact CB-OH 3.36Å; S8-Y63 PolarHBondContact O-OH 3.02Å; S8-Y63 WeakPolarHBondContact OG-CE1 3.47Å; S8-Y63 PolarHBondContact OG-OH 3.1Å; S8-Y63 VanDerWaalsContact OG-OH 3.11Å; L9-Y63 HydrophobicContact CD1-CD1 3.67Å; L9-Y63 HydrophobicContact CD1-CE1 4.06Å; L9-Y63 HydrophobicContact CD1-CG 4.36Å; L9-Y63 HydrophobicContact CD2-CD1 3.31Å; L9-Y63 HydrophobicContact CD2-CD2 3.82Å; L9-Y63 HydrophobicContact CD2-CE1 3.35Å; L9-Y63 HydrophobicContact CD2-CE2 3.83Å; L9-Y63 HydrophobicContact CD2-CG 3.53Å; L9-Y63 HydrophobicContact CG-CD1 3.5Å; L9-Y63 VanDerWaalsContact CG-CD1 3.5Å; L9-Y63 HydrophobicContact CG-CE1 3.4Å; L9-Y63 VanDerWaalsContact CG-CE1 3.4Å; L9-Y63 HydrophobicContact CG-CG 4.22Å; V39-Y63 HydrophobicContact CG1-CG 4.24Å; F40-Y63 WeakPolarHBondContact O-CB 3.04Å; F40-Y63 PolarHBondContact O-N 3.25Å; D41-Y63 HydrophobicContact CB-CD1 4.22Å; F42-Y63 VanDerWaalsContact CB-O 3.25Å; F42-Y63 WeakPolarHBondContact CB-O 3.26Å; F42-Y63 PolarHBondContact N-O 3.41Å; V61-Y63 PolarHBondContact O-N 3.05Å; Y63-R65 HydrophobicContact CE2-CG 4.03Å; Y63-M86 VanDerWaalsContact CA-O 3.3Å; Y63-M86 WeakPolarHBondContact CA-O 3.43Å; Y63-M86 HydrophobicContact CD2-CB 4.24Å; Y63-M86 HydrophobicContact CD2-CE 3.19Å; Y63-M86 HydrophobicContact CD2-CG 3.94Å; Y63-M86 VanDerWaalsContact CD2-O 3.29Å; Y63-M86 WeakPolarHBondContact CD2-O 3.35Å; Y63-M86 HydrophobicContact CD2-SD 4.34Å; Y63-M86 HydrophobicContact CE2-CE 3.78Å; Y63-M86 HydrophobicContact CG-CE 3.85Å |
| 64 | S | 90.7 | Very high | 85.4 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 134.3 | 163.7 | -170 | 0 | 0 | 0 | 0 | 111.4 | E66 H71 M86 T87 | S64-E66 PolarHBondContact OG-N 3.36Å; S64-E66 PolarHBondContact OG-O 2.86Å; S64-H71 PolarHBondContact OG-CE1 3.05Å; S64-H71 PolarHBondContact OG-NE2 3.31Å; S64-M86 PolarHBondContact N-O 3.3Å; S64-T87 WeakPolarHBondContact O-CA 3.11Å; S64-T87 WeakPolarHBondContact O-CB 3.23Å |
| 65 | R | 92.2 | Very high | 84.1 | Confident | 15 Ų | 15 | 45.3 Ų | 45.3 | 6% | 0.057 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -100 | -10 | 164.9 | -74.4 | -172.9 | 173.4 | -174.3 | 0.2 | 113.1 | Y63 Y88 C96 P97 Y98 Y189 I261 C264 | Y63-R65 HydrophobicContact CE2-CG 4.03Å; R65-Y88 WeakPolarHBondContact O-CD1 3.39Å; R65-C96 PolarHBondContact NE-O 3.35Å; R65-C96 PolarHBondContact NE-SG 2.8Å; R65-C96 PolarHBondContact NH2-SG 3.47Å; R65-P97 PolarHBondContact NH2-O 3.15Å; R65-Y98 HydrophobicContact CB-CE1 4.43Å; R65-Y98 HydrophobicContact CB-CE2 3.64Å; R65-Y98 VanDerWaalsContact CB-OH 3.32Å; R65-Y98 WeakPolarHBondContact CB-OH 3.45Å; R65-Y98 HydrophobicContact CG-CE2 4.3Å; R65-Y98 WeakPolarHBondContact O-CE2 3.29Å; R65-Y98 PolarHBondContact O-OH 2.98Å; R65-Y189 VanDerWaalsContact O-CE2 3.29Å; R65-Y189 WeakPolarHBondContact O-CE2 3.46Å; R65-I261 VanDerWaalsContact CZ-O 3.3Å; R65-I261 PolarHBondContact NH1-O 2.81Å; R65-I261 PolarHBondContact NH2-O 2.79Å; R65-C264 PolarHBondContact NH2-SG 3.05Å |
| 66 | E | 91.6 | Very high | 82.6 | Confident | 35 Ų | 35 | 46.4 Ų | 46.4 | 16% | 0.164 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -85.6 | 168.4 | 176.2 | -70.8 | -60.6 | 153.2 | 0 | 0 | 111.4 | S64 E70 Y98 Y189 W291 | S64-E66 PolarHBondContact OG-N 3.36Å; S64-E66 PolarHBondContact OG-O 2.86Å; E66-E70 HydrophobicContact CB-CB 4.02Å; E66-Y98 PolarHBondContact OE1-OH 3.42Å; E66-Y189 PolarHBondContact OE2-OH 2.71Å; E66-W291 WeakPolarHBondContact O-CZ2 3.44Å |
| 67 | T | 91 | Very high | 81.5 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -87.9 | 161.9 | 179.8 | 53.3 | 0 | 0 | 0 | 0 | 112.5 | P69 E70 H71 Y88 T184 C186 Y189 | T67-P69 VanDerWaalsContact C-CD 3.41Å; T67-P69 VanDerWaalsContact C-N 3.32Å; T67-E70 WeakPolarHBondContact O-CB 3.28Å; T67-E70 PolarHBondContact O-N 3.15Å; T67-H71 PolarHBondContact O-CE1 3.09Å; T67-H71 PolarHBondContact O-ND1 3.32Å; T67-Y88 HydrophobicContact CG2-CE1 4.18Å; T67-T184 WeakPolarHBondContact OG1-CB 3.41Å; T67-T184 PolarHBondContact OG1-OG1 3.36Å; T67-C186 VanDerWaalsContact CB-SG 3.53Å; T67-C186 HydrophobicContact CG2-CB 3.77Å; T67-C186 WeakPolarHBondContact CG2-SG 3.26Å; T67-Y189 HydrophobicContact CG2-CD1 3.3Å; T67-Y189 HydrophobicContact CG2-CD2 3.48Å; T67-Y189 VanDerWaalsContact CG2-CD2 3.48Å; T67-Y189 HydrophobicContact CG2-CE1 3.59Å; T67-Y189 HydrophobicContact CG2-CE2 3.81Å; T67-Y189 HydrophobicContact CG2-CG 3.23Å | ||
| 68 | T | 87.3 | Confident | 80.7 | Confident | 32 Ų | 32 | 38.7 Ų | 38.7 | 20% | 0.196 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -51 | -39.9 | -178.8 | 54.1 | 0 | 0 | 0 | 0 | 114.6 | E70 H71 W291 Q292 N295 | T68-E70 PolarHBondContact O-N 3.28Å; T68-H71 PolarHBondContact O-N 3.04Å; T68-H71 PolarHBondContact O-ND1 3.23Å; T68-W291 HydrophobicContact CG2-CD2 4.24Å; T68-W291 HydrophobicContact CG2-CG 3.91Å; T68-Q292 HydrophobicContact CG2-CG 4.36Å; T68-N295 HydrophobicContact CG2-CB 3.93Å; T68-N295 PolarHBondContact N-OD1 3.39Å |
| 69 | P | 87.1 | Confident | 79.6 | Confident | 27 Ų | 27 | 41.6 Ų | 41.6 | 18% | 0.175 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -71.3 | -14.2 | -179.8 | -22 | 39.7 | 0 | 0 | 0 | 114.3 | T67 H71 H136 T184 C297 F299 | T67-P69 VanDerWaalsContact C-CD 3.41Å; T67-P69 VanDerWaalsContact C-N 3.32Å; P69-H71 PolarHBondContact O-N 3.27Å; P69-H136 PolarHBondContact O-NE2 3Å; P69-T184 HydrophobicContact CB-CG2 4.43Å; P69-T184 HydrophobicContact CG-CG2 3.81Å; P69-C297 HydrophobicContact CG-CB 4.11Å; P69-F299 HydrophobicContact CB-CE1 3.93Å; P69-F299 HydrophobicContact CB-CZ 4.09Å; P69-F299 HydrophobicContact CG-CE1 3.95Å; P69-F299 HydrophobicContact CG-CZ 3.72Å |
| 70 | E | 85.1 | Confident | 78.9 | Confident | 39 Ų | 39 | 44.2 Ų | 44.2 | 18% | 0.182 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -83.7 | 3.1 | 177.3 | -60.5 | -69.1 | 152.5 | 0 | 0 | 112.5 | E66 T67 T68 K132 H136 N183 T184 | E66-E70 HydrophobicContact CB-CB 4.02Å; T67-E70 WeakPolarHBondContact O-CB 3.28Å; T67-E70 PolarHBondContact O-N 3.15Å; T68-E70 PolarHBondContact O-N 3.28Å; E70-K132 IonicContact OE1-NZ 3.58Å; E70-K132 PolarHBondContact OE1-NZ 3.2Å; E70-K132 IonicContact OE2-NZ 2.73Å; E70-K132 PolarHBondContact OE2-NZ 2.88Å; E70-H136 IonicContact OE1-CD2 3.71Å; E70-N183 WeakPolarHBondContact OE1-CB 3.43Å; E70-T184 PolarHBondContact OE1-OG1 2.7Å |
| 71 | H | 79.8 | Confident | 78.6 | Confident | 23 Ų | 23 | 45.2 Ų | 45.2 | 11% | 0.106 | 26% | 0.256 | C | S | . | . | trans | -108.2 | 130.9 | 178.8 | -56.7 | 87.6 | 0 | 0 | 0 | 110.6 | F42 S64 T67 T68 P69 | F42-H71 HydrophobicContact CD1-CB 4.18Å; F42-H71 AromaticContact CD1-CD2 3.06Å; F42-H71 WeakPolarHBondContact CD1-CD2 3.45Å; F42-H71 AromaticContact CD1-CE1 3.92Å; F42-H71 AromaticContact CD1-CG 3.49Å; F42-H71 VanDerWaalsContact CD1-CG 3.49Å; F42-H71 AromaticContact CD1-ND1 3.99Å; F42-H71 AromaticContact CD1-NE2 3.36Å; F42-H71 WeakPolarHBondContact CD1-NE2 3.42Å; F42-H71 HydrophobicContact CE1-CB 3.79Å; F42-H71 AromaticContact CE1-CD2 3.62Å; F42-H71 AromaticContact CE1-CG 3.58Å; F42-H71 AromaticContact CG-CD2 3.8Å; S64-H71 PolarHBondContact OG-CE1 3.05Å; S64-H71 PolarHBondContact OG-NE2 3.31Å; T67-H71 PolarHBondContact O-CE1 3.09Å; T67-H71 PolarHBondContact O-ND1 3.32Å; T68-H71 PolarHBondContact O-N 3.04Å; T68-H71 PolarHBondContact O-ND1 3.23Å; P69-H71 PolarHBondContact O-N 3.27Å | ||
| 72 | F | 63.4 | Low | 78.4 | Confident | 217 Ų | 217 | 45.9 Ų | 45.9 | 95% | 0.952 | 26% | 0.259 | S | S | * | . | trans | -84.2 | -15.3 | -173.3 | -103 | -89.4 | 0 | 0 | 0 | 115 | ||||
| 73 | A | 60.2 | Low | 78.3 | Confident | 39 Ų | 39 | 48 Ų | 48 | 32% | 0.322 | 27% | 0.271 | S | S | . | . | trans | -111.2 | 126.9 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L75 | A73-L75 PolarHBondContact O-N 3.36Š| ||
| 74 | P | 58.5 | Low | 78.2 | Confident | 83 Ų | 83 | 48 Ų | 48 | 54% | 0.539 | 27% | 0.271 | S | S | . | . | trans | -70.7 | 122.8 | 163.6 | 27.2 | -29.2 | 0 | 0 | 0 | 109.6 | L76 | P74-L76 HydrophobicContact CB-CD1 4.4Å; P74-L76 PolarHBondContact O-N 3.2Å | ||
| 75 | L | 60.9 | Low | 78.2 | Confident | 5 Ų | 5 | 48 Ų | 48 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | trans | -81.2 | 44.2 | -178.1 | -58.6 | -174.7 | 0 | 0 | 0 | 114.5 | F42 F62 A73 G77 M78 Y288 | F42-L75 HydrophobicContact CD2-CD1 4.27Å; F42-L75 HydrophobicContact CE1-CD1 4.31Å; F42-L75 HydrophobicContact CE2-CD1 3.16Å; F42-L75 HydrophobicContact CE2-CD2 3.23Å; F42-L75 HydrophobicContact CE2-CG 3.55Å; F42-L75 HydrophobicContact CZ-CD1 3.22Å; F42-L75 HydrophobicContact CZ-CD2 3.42Å; F42-L75 VanDerWaalsContact CZ-CD2 3.42Å; F42-L75 HydrophobicContact CZ-CG 3.38Å; F62-L75 HydrophobicContact CE2-CD1 4.48Å; A73-L75 PolarHBondContact O-N 3.36Å; L75-G77 PolarHBondContact O-N 3.31Å; L75-M78 HydrophobicContact CB-CB 4.14Å; L75-M78 HydrophobicContact CB-CG 4.36Å; L75-M78 HydrophobicContact CB-SD 4.49Å; L75-M78 HydrophobicContact CD2-CG 4.38Å; L75-M78 HydrophobicContact CD2-SD 3.47Å; L75-M78 WeakPolarHBondContact CD2-SD 3.44Å; L75-M78 HydrophobicContact CG-SD 4.38Å; L75-M78 PolarHBondContact O-N 3.32Å; L75-Y288 HydrophobicContact CB-CD1 4.13Å; L75-Y288 HydrophobicContact CB-CD2 3.76Å; L75-Y288 HydrophobicContact CB-CE1 4.36Å; L75-Y288 HydrophobicContact CB-CE2 3.99Å; L75-Y288 HydrophobicContact CB-CG 3.78Å; L75-Y288 HydrophobicContact CD1-CD2 3.18Å; L75-Y288 HydrophobicContact CD1-CE2 3.8Å; L75-Y288 HydrophobicContact CD1-CG 3.76Å; L75-Y288 HydrophobicContact CG-CD2 3.49Å; L75-Y288 VanDerWaalsContact CG-CD2 3.49Å; L75-Y288 HydrophobicContact CG-CE2 3.61Å; L75-Y288 HydrophobicContact CG-CG 4.05Å | ||
| 76 | L | 61 | Low | 78.2 | Confident | 151 Ų | 151 | 47.3 Ų | 47.3 | 79% | 0.791 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | 114.1 | 168.4 | -82.4 | 146 | 0 | 0 | 0 | 108.8 | P74 | P74-L76 HydrophobicContact CB-CD1 4.4Å; P74-L76 PolarHBondContact O-N 3.2Å |
| 77 | G | 65 | Low | 78.3 | Confident | 58 Ų | 58 | 45.7 Ų | 45.7 | 60% | 0.598 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.6 | -1.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 117 | L75 | L75-G77 PolarHBondContact O-N 3.31Š|
| 78 | M | 73.7 | Confident | 78.4 | Confident | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.02 | 26% | 0.262 | C | S | . | . | trans | -98.2 | 7.7 | -180 | -57 | -170.7 | 67.8 | 0 | 0 | 114.7 | V45 I50 L75 T80 F81 F82 | V45-M78 HydrophobicContact CG2-CE 4.02Å; I50-M78 HydrophobicContact CG2-CE 4.33Å; I50-M78 HydrophobicContact CG2-CG 3.69Å; I50-M78 HydrophobicContact CG2-SD 4.34Å; L75-M78 HydrophobicContact CB-CB 4.14Å; L75-M78 HydrophobicContact CB-CG 4.36Å; L75-M78 HydrophobicContact CB-SD 4.49Å; L75-M78 HydrophobicContact CD2-CG 4.38Å; L75-M78 HydrophobicContact CD2-SD 3.47Å; L75-M78 WeakPolarHBondContact CD2-SD 3.44Å; L75-M78 HydrophobicContact CG-SD 4.38Å; L75-M78 PolarHBondContact O-N 3.32Å; M78-T80 PolarHBondContact O-N 3.07Å; M78-F81 HydrophobicContact CB-CB 4.12Å; M78-F81 HydrophobicContact CE-CB 4.38Å; M78-F81 HydrophobicContact CE-CD1 3.36Å; M78-F81 HydrophobicContact CE-CE1 3.81Å; M78-F81 HydrophobicContact CE-CG 4.01Å; M78-F81 WeakPolarHBondContact O-CB 3.39Å; M78-F81 PolarHBondContact O-N 3.19Å; M78-F82 HydrophobicContact CE-CD2 4.49Å; M78-F82 HydrophobicContact CE-CE1 4.44Å; M78-F82 HydrophobicContact CE-CE2 3.48Å; M78-F82 VanDerWaalsContact CE-CE2 3.48Å; M78-F82 HydrophobicContact CE-CZ 3.45Å; M78-F82 VanDerWaalsContact CE-CZ 3.45Å | ||
| 79 | N | 69.5 | Low | 78.7 | Confident | 70 Ų | 70 | 44.4 Ų | 44.4 | 37% | 0.374 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -37 | -172.2 | -65.2 | -7.1 | 0 | 0 | 0 | 113.2 | N286 | N79-N286 PolarHBondContact OD1-OD1 2.83Š|
| 80 | T | 76.7 | Confident | 78.9 | Confident | 127 Ų | 127 | 45.5 Ų | 45.5 | 78% | 0.779 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.9 | 7.5 | -178.3 | 59.8 | 0 | 0 | 0 | 0 | 113.6 | M78 | M78-T80 PolarHBondContact O-N 3.07Š|
| 81 | F | 84.7 | Confident | 79.1 | Confident | 21 Ų | 21 | 46.4 Ų | 46.4 | 9% | 0.092 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -41.2 | -174.5 | -179.7 | -107.4 | 0 | 0 | 0 | 112.2 | F40 A49 I50 F60 M78 | F40-F81 HydrophobicContact CD2-CE1 4.43Å; F40-F81 HydrophobicContact CE1-CE1 4.23Å; F40-F81 HydrophobicContact CE1-CZ 4.24Å; F40-F81 HydrophobicContact CE2-CE1 4.1Å; F40-F81 HydrophobicContact CE2-CZ 4.35Å; F40-F81 AromaticContact CZ-CE1 3.99Å; F40-F81 HydrophobicContact CZ-CE1 3.99Å; F40-F81 AromaticContact CZ-CZ 3.89Å; F40-F81 HydrophobicContact CZ-CZ 3.89Å; A49-F81 HydrophobicContact CB-CE1 4.3Å; A49-F81 HydrophobicContact CB-CZ 3.99Å; A49-F81 WeakPolarHBondContact O-CE2 3.14Å; A49-F81 WeakPolarHBondContact O-CZ 3.5Å; I50-F81 HydrophobicContact CB-CD2 4.47Å; I50-F81 HydrophobicContact CG2-CD2 4.44Å; F60-F81 HydrophobicContact CD2-CD1 4.32Å; F60-F81 HydrophobicContact CD2-CD2 4.07Å; F60-F81 AromaticContact CD2-CE1 3.78Å; F60-F81 HydrophobicContact CD2-CE1 3.78Å; F60-F81 AromaticContact CD2-CE2 3.49Å; F60-F81 HydrophobicContact CD2-CE2 3.49Å; F60-F81 VanDerWaalsContact CD2-CE2 3.49Å; F60-F81 HydrophobicContact CD2-CG 4.46Å; F60-F81 AromaticContact CD2-CZ 3.33Å; F60-F81 HydrophobicContact CD2-CZ 3.33Å; F60-F81 HydrophobicContact CE2-CD2 4.33Å; F60-F81 HydrophobicContact CE2-CE1 4.37Å; F60-F81 AromaticContact CE2-CE2 3.44Å; F60-F81 HydrophobicContact CE2-CE2 3.44Å; F60-F81 VanDerWaalsContact CE2-CE2 3.44Å; F60-F81 AromaticContact CE2-CZ 3.48Å; F60-F81 HydrophobicContact CE2-CZ 3.48Å; F60-F81 VanDerWaalsContact CE2-CZ 3.48Å; F60-F81 HydrophobicContact CG-CZ 4.5Å; M78-F81 HydrophobicContact CB-CB 4.12Å; M78-F81 HydrophobicContact CE-CB 4.38Å; M78-F81 HydrophobicContact CE-CD1 3.36Å; M78-F81 HydrophobicContact CE-CE1 3.81Å; M78-F81 HydrophobicContact CE-CG 4.01Å; M78-F81 WeakPolarHBondContact O-CB 3.39Å; M78-F81 PolarHBondContact O-N 3.19Å |
| 82 | F | 88.1 | Confident | 79.6 | Confident | 14 Ų | 14 | 45.3 Ų | 45.3 | 6% | 0.061 | 27% | 0.265 | C | S | . | . | trans | -93.1 | 140.3 | -178.9 | -59.9 | -68.7 | 0 | 0 | 0 | 111.1 | F40 V45 F60 F62 M78 L287 | F40-F82 HydrophobicContact CB-CE1 3.79Å; F40-F82 HydrophobicContact CB-CZ 4.33Å; F40-F82 HydrophobicContact CD2-CD1 4.28Å; F40-F82 AromaticContact CD2-CE1 3.71Å; F40-F82 HydrophobicContact CD2-CE1 3.71Å; F40-F82 HydrophobicContact CE2-CE1 4.49Å; F40-F82 AromaticContact CG-CE1 3.85Å; F40-F82 HydrophobicContact CG-CE1 3.85Å; V45-F82 HydrophobicContact CG2-CZ 4.43Å; F60-F82 HydrophobicContact CB-CD1 4.37Å; F60-F82 CarbonylContact O-C 3.57Å; F60-F82 WeakPolarHBondContact O-CA 3.25Å; F62-F82 HydrophobicContact CB-CB 4.1Å; F62-F82 HydrophobicContact CB-CD1 3.98Å; F62-F82 HydrophobicContact CB-CD2 4.05Å; F62-F82 HydrophobicContact CB-CE1 4.4Å; F62-F82 HydrophobicContact CB-CE2 4.45Å; F62-F82 HydrophobicContact CB-CG 3.78Å; F62-F82 AromaticContact CD2-CD2 3.94Å; F62-F82 HydrophobicContact CD2-CD2 3.94Å; F62-F82 AromaticContact CD2-CE2 3.76Å; F62-F82 HydrophobicContact CD2-CE2 3.76Å; F62-F82 HydrophobicContact CD2-CZ 4.21Å; M78-F82 HydrophobicContact CE-CD2 4.49Å; M78-F82 HydrophobicContact CE-CE1 4.44Å; M78-F82 HydrophobicContact CE-CE2 3.48Å; M78-F82 VanDerWaalsContact CE-CE2 3.48Å; M78-F82 HydrophobicContact CE-CZ 3.45Å; M78-F82 VanDerWaalsContact CE-CZ 3.45Å; F82-L287 HydrophobicContact CB-CD1 3.47Å; F82-L287 VanDerWaalsContact CB-CD1 3.47Å | ||
| 83 | D | 87.6 | Confident | 80.9 | Confident | 46 Ų | 46 | 35.2 Ų | 35.2 | 25% | 0.246 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -88 | -28.6 | 174.3 | -60.7 | -85.4 | 0 | 0 | 0 | 113.2 | K54 K59 F60 | K54-D83 WeakPolarHBondContact CE-OD2 3.45Å; K54-D83 IonicContact NZ-OD1 2.64Å; K54-D83 PolarHBondContact NZ-OD1 2.91Å; K54-D83 IonicContact NZ-OD2 3.01Å; K54-D83 PolarHBondContact NZ-OD2 3.21Å; K59-D83 WeakPolarHBondContact CA-OD2 3.43Å; K59-D83 HydrophobicContact CD-CB 3.71Å; K59-D83 IonicContact NZ-OD1 3.21Å; F60-D83 PolarHBondContact N-OD2 3.24Å; F60-D83 PolarHBondContact O-N 2.95Å |
| 84 | M | 88.4 | Confident | 82.4 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 156.9 | -171.3 | 63.1 | -176.1 | -64.7 | 0 | 0 | 112.9 | K59 V61 F62 A93 V94 L268 L272 L277 E279 | K59-M84 HydrophobicContact CB-SD 4.49Å; V61-M84 WeakPolarHBondContact CA-O 3.38Å; V61-M84 HydrophobicContact CB-CG 4.16Å; V61-M84 HydrophobicContact CG1-CG 4.05Å; V61-M84 HydrophobicContact CG2-CG 3.7Å; V61-M84 HydrophobicContact CG2-SD 3.83Å; F62-M84 PolarHBondContact N-O 2.92Å; M84-A93 HydrophobicContact CB-CB 3.84Å; M84-A93 HydrophobicContact CE-CB 3.94Å; M84-V94 HydrophobicContact CE-CG2 3.6Å; M84-L268 HydrophobicContact CE-CD1 3.42Å; M84-L268 VanDerWaalsContact CE-CD1 3.42Å; M84-L268 HydrophobicContact SD-CD1 3.95Å; M84-L272 HydrophobicContact SD-CD2 3.83Å; M84-L277 HydrophobicContact CE-CD2 3.58Å; M84-L277 HydrophobicContact SD-CD2 4.24Å; M84-E279 WeakPolarHBondContact CA-OE1 3.3Å; M84-E279 VanDerWaalsContact CB-OE1 3.28Å; M84-E279 WeakPolarHBondContact CB-OE1 3.02Å |
| 85 | S | 90.4 | Very high | 84 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 133.9 | 179.3 | 51.6 | 0 | 0 | 0 | 0 | 112.8 | S92 A93 V94 | S85-S92 WeakPolarHBondContact OG-CA 3.39Å; S85-A93 WeakPolarHBondContact O-CA 3.33Å; S85-A93 WeakPolarHBondContact O-CB 3.4Å; S85-A93 PolarHBondContact O-N 3.49Å; S85-A93 VanDerWaalsContact O-N 3.08Å; S85-A93 PolarHBondContact OG-N 3.28Å; S85-A93 VanDerWaalsContact OG-N 3.08Å; S85-V94 PolarHBondContact O-N 3.03Å |
| 86 | M | 92.5 | Very high | 85.6 | Confident | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 96.7 | 168.7 | -176.8 | 169.9 | 75.3 | 0 | 0 | 108.9 | L9 W23 V39 V61 F62 Y63 S64 V94 C96 C264 L268 | L9-M86 HydrophobicContact CD2-CE 3.91Å; W23-M86 HydrophobicContact CH2-CE 4.44Å; V39-M86 HydrophobicContact CG1-CE 3.81Å; V61-M86 HydrophobicContact CG1-CB 3.77Å; F62-M86 PolarHBondContact O-N 2.86Å; Y63-M86 VanDerWaalsContact CA-O 3.3Å; Y63-M86 WeakPolarHBondContact CA-O 3.43Å; Y63-M86 HydrophobicContact CD2-CB 4.24Å; Y63-M86 HydrophobicContact CD2-CE 3.19Å; Y63-M86 HydrophobicContact CD2-CG 3.94Å; Y63-M86 VanDerWaalsContact CD2-O 3.29Å; Y63-M86 WeakPolarHBondContact CD2-O 3.35Å; Y63-M86 HydrophobicContact CD2-SD 4.34Å; Y63-M86 HydrophobicContact CE2-CE 3.78Å; Y63-M86 HydrophobicContact CG-CE 3.85Å; S64-M86 PolarHBondContact N-O 3.3Å; M86-V94 WeakPolarHBondContact CA-O 3.38Å; M86-V94 HydrophobicContact CB-CB 4.04Å; M86-V94 HydrophobicContact CG-CB 3.86Å; M86-V94 HydrophobicContact CG-CG1 3.8Å; M86-V94 HydrophobicContact SD-CB 4.45Å; M86-V94 HydrophobicContact SD-CG1 4.01Å; M86-C96 HydrophobicContact CG-CB 3.9Å; M86-C264 HydrophobicContact CG-CB 4.37Å; M86-C264 HydrophobicContact SD-CB 3.82Å; M86-L268 HydrophobicContact CE-CD2 4.16Å; M86-L268 HydrophobicContact SD-CB 3.8Å; M86-L268 HydrophobicContact SD-CD2 3.87Å; M86-L268 HydrophobicContact SD-CG 4.35Å |
| 87 | T | 93 | Very high | 87.2 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 173.6 | -173.5 | 83.3 | 0 | 0 | 0 | 0 | 112.6 | F62 S64 L89 S92 V94 C96 W291 | F62-T87 HydrophobicContact CD1-CG2 3.71Å; F62-T87 HydrophobicContact CE1-CG2 3.64Å; S64-T87 WeakPolarHBondContact O-CA 3.11Å; S64-T87 WeakPolarHBondContact O-CB 3.23Å; T87-L89 PolarHBondContact O-N 2.99Å; T87-L89 PolarHBondContact OG1-N 3.08Å; T87-L89 VanDerWaalsContact OG1-N 3.14Å; T87-S92 PolarHBondContact OG1-OG 3.1Å; T87-V94 PolarHBondContact N-O 3.47Å; T87-C96 WeakPolarHBondContact O-CA 3.47Å; T87-C96 PolarHBondContact O-N 3.24Å; T87-W291 VanDerWaalsContact CB-CZ3 3.47Å; T87-W291 HydrophobicContact CG2-CE3 4.09Å; T87-W291 HydrophobicContact CG2-CH2 3.94Å; T87-W291 HydrophobicContact CG2-CZ3 3.65Å; T87-W291 WeakPolarHBondContact OG1-CZ3 3.38Å |
| 88 | Y | 93.7 | Very high | 88.7 | Confident | 5 Ų | 5 | 24.5 Ų | 24.5 | 2% | 0.02 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -67.3 | -9.9 | 175.3 | 79.2 | -95.5 | 0 | 0 | 0 | 114.1 | R65 T67 F95 C96 Q187 Q188 Y189 W291 N295 | R65-Y88 WeakPolarHBondContact O-CD1 3.39Å; T67-Y88 HydrophobicContact CG2-CE1 4.18Å; Y88-F95 WeakPolarHBondContact O-CE2 3.29Å; Y88-C96 WeakPolarHBondContact CA-O 3.28Å; Y88-Q187 WeakPolarHBondContact CE2-O 3.44Å; Y88-Q188 WeakPolarHBondContact CD2-O 3.38Å; Y88-Y189 HydrophobicContact CD1-CD2 4.05Å; Y88-Y189 HydrophobicContact CD1-CE2 4.47Å; Y88-Y189 HydrophobicContact CD2-CD2 4.23Å; Y88-Y189 AromaticContact CE1-CD2 3.85Å; Y88-Y189 HydrophobicContact CE1-CD2 3.85Å; Y88-Y189 HydrophobicContact CE1-CE2 4.44Å; Y88-Y189 HydrophobicContact CE2-CD2 4.06Å; Y88-Y189 HydrophobicContact CE2-CG 4.48Å; Y88-Y189 HydrophobicContact CG-CD2 4.25Å; Y88-Y189 AromaticContact CZ-CD2 3.86Å; Y88-W291 AromaticContact CD1-CH2 3.72Å; Y88-W291 HydrophobicContact CD1-CH2 3.72Å; Y88-W291 HydrophobicContact CD1-CZ3 4.49Å; Y88-W291 AromaticContact CE1-CH2 3.39Å; Y88-W291 HydrophobicContact CE1-CH2 3.39Å; Y88-W291 HydrophobicContact CE1-CZ2 4.12Å; Y88-W291 HydrophobicContact CE1-CZ3 4.14Å; Y88-N295 PolarHBondContact OH-OD1 3.34Å |
| 89 | L | 92.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -79.2 | 133.9 | 178.9 | -70.9 | 175.7 | 0 | 0 | 0 | 111.1 | T87 S91 S92 F95 Q188 W290 W291 | T87-L89 PolarHBondContact O-N 2.99Å; T87-L89 PolarHBondContact OG1-N 3.08Å; T87-L89 VanDerWaalsContact OG1-N 3.14Å; L89-S91 PolarHBondContact O-N 2.91Å; L89-S91 VanDerWaalsContact O-N 3.15Å; L89-S92 VanDerWaalsContact O-CB 3.3Å; L89-S92 WeakPolarHBondContact O-CB 3.31Å; L89-S92 PolarHBondContact O-N 3.26Å; L89-S92 VanDerWaalsContact O-N 3.09Å; L89-S92 PolarHBondContact O-OG 3.4Å; L89-F95 WeakPolarHBondContact O-CD2 3.47Å; L89-Q188 HydrophobicContact CD2-CB 4.5Å; L89-W290 HydrophobicContact CB-CZ2 4.43Å; L89-W290 HydrophobicContact CD1-CH2 4.26Å; L89-W290 HydrophobicContact CD1-CZ2 4.11Å; L89-W291 HydrophobicContact CB-CZ3 4.41Å; L89-W291 HydrophobicContact CD1-CE3 3.58Å; L89-W291 HydrophobicContact CD1-CZ3 3.41Å; L89-W291 VanDerWaalsContact CD1-CZ3 3.41Å; L89-W291 HydrophobicContact CG-CE3 4.39Å; L89-W291 HydrophobicContact CG-CZ3 3.71Å |
| 90 | P | 91.3 | Very high | 91 | Very high | 51 Ų | 51 | 23 Ų | 23 | 33% | 0.331 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -22.6 | 176 | -27.5 | 37.8 | 0 | 0 | 0 | 115 | S92 F95 | P90-S92 VanDerWaalsContact C-N 3.26Å; P90-S92 PolarHBondContact O-N 3.2Å; P90-F95 HydrophobicContact CB-CD2 4.32Å; P90-F95 HydrophobicContact CB-CE2 4.25Å; P90-F95 HydrophobicContact CG-CD2 4.21Å; P90-F95 HydrophobicContact CG-CE2 3.68Å; P90-F95 HydrophobicContact CG-CZ 4.12Å |
| 91 | S | 89.4 | Confident | 92 | Very high | 58 Ų | 58 | 19.4 Ų | 19.4 | 41% | 0.406 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -1.4 | 177.3 | 53.1 | 0 | 0 | 0 | 0 | 114.3 | L89 Q284 W290 | L89-S91 PolarHBondContact O-N 2.91Å; L89-S91 VanDerWaalsContact O-N 3.15Å; S91-Q284 PolarHBondContact O-NE2 3.16Å; S91-W290 WeakPolarHBondContact OG-CZ2 3.32Å |
| 92 | S | 90.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -72.1 | 155.2 | 176.7 | -56.1 | 0 | 0 | 0 | 0 | 112.1 | S85 T87 L89 P90 V94 W290 | S85-S92 WeakPolarHBondContact OG-CA 3.39Å; T87-S92 PolarHBondContact OG1-OG 3.1Å; L89-S92 VanDerWaalsContact O-CB 3.3Å; L89-S92 WeakPolarHBondContact O-CB 3.31Å; L89-S92 PolarHBondContact O-N 3.26Å; L89-S92 VanDerWaalsContact O-N 3.09Å; L89-S92 PolarHBondContact O-OG 3.4Å; P90-S92 VanDerWaalsContact C-N 3.26Å; P90-S92 PolarHBondContact O-N 3.2Å; S92-V94 PolarHBondContact O-N 3.08Å; S92-W290 VanDerWaalsContact OG-CH2 3.26Å; S92-W290 WeakPolarHBondContact OG-CH2 3.22Å |
| 93 | A | 90.3 | Very high | 92.7 | Very high | 4 Ų | 4 | 28.8 Ų | 28.8 | 3% | 0.033 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -53.1 | -45.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | M84 S85 L277 E279 | M84-A93 HydrophobicContact CB-CB 3.84Å; M84-A93 HydrophobicContact CE-CB 3.94Å; S85-A93 WeakPolarHBondContact O-CA 3.33Å; S85-A93 WeakPolarHBondContact O-CB 3.4Å; S85-A93 PolarHBondContact O-N 3.49Å; S85-A93 VanDerWaalsContact O-N 3.08Å; S85-A93 PolarHBondContact OG-N 3.28Å; S85-A93 VanDerWaalsContact OG-N 3.08Å; A93-L277 HydrophobicContact CB-CD2 4.48Å; A93-E279 HydrophobicContact CB-CG 3.49Å; A93-E279 VanDerWaalsContact CB-CG 3.49Å; A93-E279 WeakPolarHBondContact CB-OE1 3.3Å |
| 94 | V | 92.2 | Very high | 92.8 | Very high | 6 Ų | 6 | 28.9 Ų | 28.9 | 4% | 0.036 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 108.8 | 174 | -179.3 | 0 | 0 | 0 | 0 | 107.7 | M84 S85 M86 T87 S92 C96 Q267 L268 A271 | M84-V94 HydrophobicContact CE-CG2 3.6Å; S85-V94 PolarHBondContact O-N 3.03Å; M86-V94 WeakPolarHBondContact CA-O 3.38Å; M86-V94 HydrophobicContact CB-CB 4.04Å; M86-V94 HydrophobicContact CG-CB 3.86Å; M86-V94 HydrophobicContact CG-CG1 3.8Å; M86-V94 HydrophobicContact SD-CB 4.45Å; M86-V94 HydrophobicContact SD-CG1 4.01Å; T87-V94 PolarHBondContact N-O 3.47Å; S92-V94 PolarHBondContact O-N 3.08Å; V94-C96 PolarHBondContact O-N 3.34Å; V94-Q267 HydrophobicContact CG1-CB 3.78Å; V94-L268 HydrophobicContact CG1-CB 4.43Å; V94-L268 HydrophobicContact CG2-CB 4.38Å; V94-L268 HydrophobicContact CG2-CD1 3.91Å; V94-A271 HydrophobicContact CG2-CB 3.86Å |
| 95 | F | 92.8 | Very high | 92.5 | Very high | 70 Ų | 70 | 40.4 Ų | 40.4 | 31% | 0.307 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 119.6 | 175.3 | 175.4 | -130.2 | 0 | 0 | 0 | 109.8 | Y88 L89 P90 P97 | Y88-F95 WeakPolarHBondContact O-CE2 3.29Å; L89-F95 WeakPolarHBondContact O-CD2 3.47Å; P90-F95 HydrophobicContact CB-CD2 4.32Å; P90-F95 HydrophobicContact CB-CE2 4.25Å; P90-F95 HydrophobicContact CG-CD2 4.21Å; P90-F95 HydrophobicContact CG-CE2 3.68Å; P90-F95 HydrophobicContact CG-CZ 4.12Å; F95-P97 HydrophobicContact CD1-CG 4.1Å; F95-P97 HydrophobicContact CD2-CG 4.48Å; F95-P97 HydrophobicContact CE1-CB 4.23Å; F95-P97 HydrophobicContact CE1-CG 3.56Å; F95-P97 HydrophobicContact CE2-CB 3.89Å; F95-P97 HydrophobicContact CE2-CG 4Å; F95-P97 HydrophobicContact CZ-CB 3.64Å; F95-P97 HydrophobicContact CZ-CG 3.51Å |
| 96 | C | 94.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -130.6 | 65.3 | -171.2 | -170.5 | 0 | 0 | 0 | 0 | 112.4 | R65 M86 T87 Y88 V94 C264 | R65-C96 PolarHBondContact NE-O 3.35Å; R65-C96 PolarHBondContact NE-SG 2.8Å; R65-C96 PolarHBondContact NH2-SG 3.47Å; M86-C96 HydrophobicContact CG-CB 3.9Å; T87-C96 WeakPolarHBondContact O-CA 3.47Å; T87-C96 PolarHBondContact O-N 3.24Å; Y88-C96 WeakPolarHBondContact CA-O 3.28Å; V94-C96 PolarHBondContact O-N 3.34Å; C96-C264 WeakPolarHBondContact CA-SG 3.37Å; C96-C264 HydrophobicContact CB-CB 3.71Å; C96-C264 WeakPolarHBondContact CB-SG 3.01Å; C96-C264 WeakPolarHBondContact SG-CB 3.32Å; C96-C264 CovalentContact SG-SG 2.01Å; C96-C264 PolarHBondContact SG-SG 2.99Å | ||
| 97 | P | 95.3 | Very high | 90.4 | Very high | 12 Ų | 12 | 51.5 Ų | 51.5 | 8% | 0.078 | 25% | 0.253 | C | S | . | . | trans | -74.2 | 169.1 | 177.8 | 35.5 | -38.3 | 0 | 0 | 0 | 111.5 | R65 F95 G99 I261 | R65-P97 PolarHBondContact NH2-O 3.15Å; F95-P97 HydrophobicContact CD1-CG 4.1Å; F95-P97 HydrophobicContact CD2-CG 4.48Å; F95-P97 HydrophobicContact CE1-CB 4.23Å; F95-P97 HydrophobicContact CE1-CG 3.56Å; F95-P97 HydrophobicContact CE2-CB 3.89Å; F95-P97 HydrophobicContact CE2-CG 4Å; F95-P97 HydrophobicContact CZ-CB 3.64Å; F95-P97 HydrophobicContact CZ-CG 3.51Å; P97-G99 VanDerWaalsContact C-N 3.32Å; P97-I261 HydrophobicContact CG-CD1 3.75Å; P97-I261 WeakPolarHBondContact O-CB 3.15Å | ||
| 98 | Y | 95.8 | Very high | 89.1 | Confident | 24 Ų | 24 | 57.7 Ų | 57.7 | 9% | 0.094 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -76.8 | -17.9 | 174.2 | -71.7 | -98.5 | 0 | 0 | 0 | 113.7 | R65 E66 Y189 I190 T191 E192 I261 | R65-Y98 HydrophobicContact CB-CE1 4.43Å; R65-Y98 HydrophobicContact CB-CE2 3.64Å; R65-Y98 VanDerWaalsContact CB-OH 3.32Å; R65-Y98 WeakPolarHBondContact CB-OH 3.45Å; R65-Y98 HydrophobicContact CG-CE2 4.3Å; R65-Y98 WeakPolarHBondContact O-CE2 3.29Å; R65-Y98 PolarHBondContact O-OH 2.98Å; E66-Y98 PolarHBondContact OE1-OH 3.42Å; Y98-Y189 HydrophobicContact CE2-CE2 4.26Å; Y98-I190 WeakPolarHBondContact CD2-O 3.3Å; Y98-T191 HydrophobicContact CE2-CG2 4.16Å; Y98-E192 HydrophobicContact CD1-CB 4.07Å; Y98-E192 WeakPolarHBondContact CD1-OE2 3.5Å; Y98-E192 WeakPolarHBondContact CE1-OE2 3.41Å; Y98-I261 PolarHBondContact O-N 3.11Å |
| 99 | G | 96.2 | Very high | 88 | Confident | 3 Ų | 3 | 62.6 Ų | 62.6 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.5 | 178.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | P97 Y195 K259 | P97-G99 VanDerWaalsContact C-N 3.32Å; G99-Y195 VanDerWaalsContact C-CZ 3.42Å; G99-Y195 VanDerWaalsContact N-CE2 3.31Å; G99-Y195 PolarHBondContact O-OH 3.27Å; G99-K259 CarbonylContact C-O 3.55Å; G99-K259 WeakPolarHBondContact CA-O 3.35Å |
| 100 | S | 96.3 | Very high | 86.8 | Confident | 38 Ų | 38 | 68.7 Ų | 68.7 | 27% | 0.266 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 158.7 | -178.6 | 60.2 | 0 | 0 | 0 | 0 | 112.3 | K259 | S100-K259 PolarHBondContact N-O 3.1Å; S100-K259 PolarHBondContact O-N 3.37Å |
| 101 | F | 96.5 | Very high | 86.2 | Confident | 52 Ų | 52 | 74.7 Ų | 74.7 | 23% | 0.228 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 132 | 173 | -55.7 | -63.8 | 0 | 0 | 0 | 109.9 | F194 Y195 L198 S214 A215 P216 T256 D257 V258 | F101-F194 HydrophobicContact CZ-CD1 4.3Å; F101-F194 AromaticContact CZ-CE1 3.8Å; F101-F194 HydrophobicContact CZ-CE1 3.8Å; F101-Y195 HydrophobicContact CE1-CD1 4.13Å; F101-Y195 HydrophobicContact CE1-CE1 4.07Å; F101-Y195 HydrophobicContact CE2-CE1 4Å; F101-Y195 AromaticContact CZ-CD1 4Å; F101-Y195 HydrophobicContact CZ-CD1 4Å; F101-Y195 AromaticContact CZ-CE1 3.56Å; F101-Y195 HydrophobicContact CZ-CE1 3.56Å; F101-L198 HydrophobicContact CE1-CD1 3.63Å; F101-L198 HydrophobicContact CZ-CD1 4.16Å; F101-S214 WeakPolarHBondContact CD2-O 3.24Å; F101-A215 VanDerWaalsContact CE2-CA 3.5Å; F101-A215 HydrophobicContact CE2-CB 4.04Å; F101-A215 HydrophobicContact CZ-CB 3.99Å; F101-P216 HydrophobicContact CD1-CG 4Å; F101-P216 HydrophobicContact CE1-CG 4.35Å; F101-P216 HydrophobicContact CG-CG 4.42Å; F101-T256 HydrophobicContact CB-CG2 3.83Å; F101-T256 HydrophobicContact CD1-CG2 4.26Å; F101-T256 HydrophobicContact CG-CG2 4.44Å; F101-D257 WeakPolarHBondContact CA-O 3.39Å; F101-V258 HydrophobicContact CD1-CG2 4.02Å; F101-V258 HydrophobicContact CE1-CG2 4.01Å |
| 102 | V | 94.6 | Very high | 85.9 | Confident | 54 Ų | 54 | 73 Ų | 73 | 33% | 0.327 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 131 | -178.3 | -177.1 | 0 | 0 | 0 | 0 | 109.3 | K104 T256 D257 K259 | V102-K104 PolarHBondContact O-N 3.15Å; V102-T256 CarbonylContact O-C 3.4Å; V102-T256 WeakPolarHBondContact O-CA 3.38Å; V102-D257 HydrophobicContact CB-CB 4.47Å; V102-D257 PolarHBondContact N-O 3.39Å; V102-D257 PolarHBondContact O-N 3.21Å; V102-K259 HydrophobicContact CG2-CD 3.86Å; V102-K259 HydrophobicContact CG2-CG 4.22Å |
| 103 | K | 93.2 | Very high | 85.8 | Confident | 178 Ų | 178 | 80.1 Ų | 80.1 | 77% | 0.774 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 131.4 | 175.6 | -169.8 | 176.7 | -179 | 178.8 | 0 | 110.6 | T255 | K103-T255 WeakPolarHBondContact CA-O 3.45Å |
| 104 | K | 89.8 | Confident | 85.8 | Confident | 49 Ų | 49 | 82.7 Ų | 82.7 | 21% | 0.213 | 40% | 0.402 | C | S | . | . | trans | -66.6 | 138.1 | 174.7 | -78.4 | -178.6 | 172.3 | -178.7 | 0 | 110.8 | V102 I253 T255 T256 D257 | V102-K104 PolarHBondContact O-N 3.15Å; K104-I253 WeakPolarHBondContact CD-O 3.39Å; K104-I253 WeakPolarHBondContact CE-O 3.45Å; K104-I253 PolarHBondContact NZ-O 3.11Å; K104-T255 PolarHBondContact N-O 3.45Å; K104-T256 WeakPolarHBondContact CE-O 3.45Å; K104-D257 WeakPolarHBondContact CE-OD1 3.4Å; K104-D257 WeakPolarHBondContact CE-OD2 3.45Å; K104-D257 HydrophobicContact CG-CB 4.47Å; K104-D257 VanDerWaalsContact CG-OD2 3.29Å; K104-D257 WeakPolarHBondContact CG-OD2 3.41Å; K104-D257 IonicContact NZ-OD1 2.86Å; K104-D257 PolarHBondContact NZ-OD1 3.22Å | ||
| 105 | R | 81.1 | Confident | 85.7 | Confident | 243 Ų | 243 | 84.8 Ų | 84.8 | 92% | 0.917 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -84.5 | -31.3 | 172.5 | -68.4 | -175 | 179.6 | 174.6 | -0.5 | 112.6 | ||
| 106 | N | 74.4 | Confident | 85.7 | Confident | 130 Ų | 130 | 83.3 Ų | 83.3 | 70% | 0.695 | 41% | 0.406 | S | S | * | . | trans | -131.9 | 127.8 | -174.6 | -69.8 | -16.6 | 0 | 0 | 0 | 112.3 | ||||
| 107 | N | 64.8 | Low | 85.7 | Confident | 104 Ų | 104 | 88.5 Ų | 88.5 | 56% | 0.556 | 43% | 0.43 | S | S | * | . | trans | -91 | 105.5 | 175 | -70.7 | 2.1 | 0 | 0 | 0 | 110.2 | T109 E254 | N107-T109 PolarHBondContact O-N 3.04Å; N107-E254 PolarHBondContact OD1-O 2.96Å | ||
| 108 | K | 67.1 | Low | 85.6 | Confident | 131 Ų | 131 | 91.2 Ų | 91.2 | 57% | 0.57 | 45% | 0.45 | S | S | * | . | trans | -95.3 | 85.2 | 173.8 | -69.6 | -169.5 | 179.7 | -174.3 | 0 | 111.1 | V110 R111 | K108-V110 VanDerWaalsContact C-N 3.31Å; K108-V110 PolarHBondContact O-N 3.19Å; K108-R111 PolarHBondContact O-N 3.4Å | ||
| 109 | T | 70 | Confident | 85.6 | Confident | 108 Ų | 108 | 90.2 Ų | 90.2 | 66% | 0.663 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -52.5 | -38 | -174.2 | -43.8 | 0 | 0 | 0 | 0 | 114.8 | N107 R111 L112 K113 | N107-T109 PolarHBondContact O-N 3.04Å; T109-R111 PolarHBondContact O-N 3.37Å; T109-L112 WeakPolarHBondContact O-CB 3.26Å; T109-L112 PolarHBondContact O-N 3.07Å; T109-K113 PolarHBondContact O-N 3.44Å |
| 110 | V | 67.7 | Low | 85.5 | Confident | 128 Ų | 128 | 90.8 Ų | 90.8 | 78% | 0.776 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -64.3 | -39.4 | -177.1 | 178.7 | 0 | 0 | 0 | 0 | 112.2 | K108 L112 K113 | K108-V110 VanDerWaalsContact C-N 3.31Å; K108-V110 PolarHBondContact O-N 3.19Å; V110-L112 VanDerWaalsContact C-N 3.31Å; V110-L112 PolarHBondContact O-N 2.95Å; V110-K113 PolarHBondContact O-N 3.28Å |
| 111 | R | 77.5 | Confident | 85.5 | Confident | 177 Ų | 177 | 96.2 Ų | 96.2 | 67% | 0.668 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -66.9 | -35.8 | 179.2 | -73.2 | -174.7 | 175 | -177.6 | -4 | 111.6 | K108 T109 E115 | K108-R111 PolarHBondContact O-N 3.4Å; T109-R111 PolarHBondContact O-N 3.37Å; R111-E115 WeakPolarHBondContact O-CB 3.35Å; R111-E115 PolarHBondContact O-N 3.1Å |
| 112 | L | 85 | Confident | 85.4 | Confident | 23 Ų | 23 | 94.6 Ų | 94.6 | 12% | 0.12 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 178 | -78.5 | 138.1 | 0 | 0 | 0 | 112 | T109 V110 A114 E115 M116 I253 E254 | T109-L112 WeakPolarHBondContact O-CB 3.26Å; T109-L112 PolarHBondContact O-N 3.07Å; V110-L112 VanDerWaalsContact C-N 3.31Å; V110-L112 PolarHBondContact O-N 2.95Å; L112-A114 PolarHBondContact O-N 3.49Å; L112-E115 PolarHBondContact O-N 2.61Å; L112-M116 HydrophobicContact CD2-CE 4.4Å; L112-M116 VanDerWaalsContact O-CG 3.31Å; L112-M116 WeakPolarHBondContact O-CG 3.43Å; L112-M116 PolarHBondContact O-N 2.9Å; L112-I253 HydrophobicContact CD2-CB 4.38Å; L112-I253 HydrophobicContact CD2-CG2 4.16Å; L112-E254 HydrophobicContact CD1-CG 4.02Å; L112-E254 HydrophobicContact CD2-CB 4.43Å; L112-E254 HydrophobicContact CD2-CG 3.46Å; L112-E254 VanDerWaalsContact CD2-CG 3.46Å; L112-E254 HydrophobicContact CG-CG 4.37Å |
| 113 | K | 87.4 | Confident | 85.4 | Confident | 148 Ų | 148 | 100.3 Ų | 100.3 | 64% | 0.643 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.9 | -46 | -179.9 | -170.9 | 177.3 | -178.9 | 179.1 | 0 | 112.5 | T109 V110 E115 M116 Q117 | T109-K113 PolarHBondContact O-N 3.44Å; V110-K113 PolarHBondContact O-N 3.28Å; K113-E115 VanDerWaalsContact C-N 3.33Å; K113-M116 PolarHBondContact O-N 3.3Å; K113-Q117 WeakPolarHBondContact O-CG 3.39Å; K113-Q117 PolarHBondContact O-N 3.32Å; K113-Q117 VanDerWaalsContact O-N 3.1Å |
| 114 | A | 89.9 | Confident | 85.6 | Confident | 58 Ų | 58 | 95.8 Ų | 95.8 | 48% | 0.479 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.6 | -37.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | L112 Q117 S118 | L112-A114 PolarHBondContact O-N 3.49Å; A114-Q117 PolarHBondContact O-N 2.81Å; A114-S118 PolarHBondContact O-N 3.4Å |
| 115 | E | 91.5 | Very high | 86 | Confident | 51 Ų | 51 | 94.6 Ų | 94.6 | 24% | 0.238 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -62.8 | -47.9 | 175 | -171.5 | 168.3 | -165.1 | 0 | 0 | 111.2 | R111 L112 K113 Q117 S118 L119 R201 | R111-E115 WeakPolarHBondContact O-CB 3.35Å; R111-E115 PolarHBondContact O-N 3.1Å; L112-E115 PolarHBondContact O-N 2.61Å; K113-E115 VanDerWaalsContact C-N 3.33Å; E115-Q117 VanDerWaalsContact C-N 3.34Å; E115-Q117 PolarHBondContact O-N 3.06Å; E115-S118 WeakPolarHBondContact O-CB 3.28Å; E115-S118 PolarHBondContact O-N 2.91Å; E115-S118 VanDerWaalsContact O-N 3.07Å; E115-L119 HydrophobicContact CG-CD1 4.3Å; E115-L119 VanDerWaalsContact O-CG 3.29Å; E115-L119 WeakPolarHBondContact O-CG 3.19Å; E115-L119 PolarHBondContact O-N 3.38Å; E115-R201 IonicContact OE1-CZ 2.91Å; E115-R201 IonicContact OE1-NE 2.6Å; E115-R201 PolarHBondContact OE1-NE 2.98Å; E115-R201 IonicContact OE1-NH2 3.57Å; E115-R201 PolarHBondContact OE1-NH2 2.95Å |
| 116 | M | 92.7 | Very high | 86.9 | Confident | 38 Ų | 38 | 83 Ų | 83 | 19% | 0.187 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -58.4 | -42.9 | 175.9 | -66.6 | -55.3 | 134.3 | 0 | 0 | 112.5 | L112 K113 S118 L119 A120 L247 F250 I253 | L112-M116 HydrophobicContact CD2-CE 4.4Å; L112-M116 VanDerWaalsContact O-CG 3.31Å; L112-M116 WeakPolarHBondContact O-CG 3.43Å; L112-M116 PolarHBondContact O-N 2.9Å; K113-M116 PolarHBondContact O-N 3.3Å; M116-S118 VanDerWaalsContact C-N 3.3Å; M116-S118 PolarHBondContact O-N 2.93Å; M116-L119 HydrophobicContact CE-CD1 4.28Å; M116-L119 PolarHBondContact O-N 2.93Å; M116-L119 HydrophobicContact SD-CD1 4.16Å; M116-A120 PolarHBondContact O-N 3.3Å; M116-L247 HydrophobicContact SD-CD2 4.25Å; M116-F250 HydrophobicContact CE-CB 3.74Å; M116-F250 HydrophobicContact SD-CB 4Å; M116-I253 HydrophobicContact CE-CD1 4.27Å |
| 117 | Q | 92.6 | Very high | 88 | Confident | 109 Ų | 109 | 76.8 Ų | 76.8 | 51% | 0.509 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.1 | -35.2 | 175.8 | -72.6 | 177.4 | -15.6 | 0 | 0 | 112.7 | K113 A114 E115 K121 | K113-Q117 WeakPolarHBondContact O-CG 3.39Å; K113-Q117 PolarHBondContact O-N 3.32Å; K113-Q117 VanDerWaalsContact O-N 3.1Å; A114-Q117 PolarHBondContact O-N 2.81Å; E115-Q117 VanDerWaalsContact C-N 3.34Å; E115-Q117 PolarHBondContact O-N 3.06Å; Q117-K121 WeakPolarHBondContact O-CG 3.11Å |
| 118 | S | 93.6 | Very high | 89.6 | Confident | 70 Ų | 70 | 72.4 Ų | 72.4 | 49% | 0.49 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -68.3 | -39.8 | 174.4 | -175.9 | 0 | 0 | 0 | 0 | 111.6 | A114 E115 M116 K121 | A114-S118 PolarHBondContact O-N 3.4Å; E115-S118 WeakPolarHBondContact O-CB 3.28Å; E115-S118 PolarHBondContact O-N 2.91Å; E115-S118 VanDerWaalsContact O-N 3.07Å; M116-S118 VanDerWaalsContact C-N 3.3Å; M116-S118 PolarHBondContact O-N 2.93Å; S118-K121 PolarHBondContact O-N 3.34Å |
| 119 | L | 95.9 | Very high | 90.9 | Very high | 3 Ų | 3 | 68.2 Ų | 68.2 | 2% | 0.016 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.6 | -39.8 | 178.5 | -64.5 | 169.5 | 0 | 0 | 0 | 112.4 | E115 M116 K121 R122 R201 Y246 L247 F250 | E115-L119 HydrophobicContact CG-CD1 4.3Å; E115-L119 VanDerWaalsContact O-CG 3.29Å; E115-L119 WeakPolarHBondContact O-CG 3.19Å; E115-L119 PolarHBondContact O-N 3.38Å; M116-L119 HydrophobicContact CE-CD1 4.28Å; M116-L119 PolarHBondContact O-N 2.93Å; M116-L119 HydrophobicContact SD-CD1 4.16Å; L119-K121 PolarHBondContact O-N 3.45Å; L119-R122 WeakPolarHBondContact O-CG 3.43Å; L119-R122 PolarHBondContact O-N 3.42Å; L119-R201 HydrophobicContact CD2-CB 3.5Å; L119-R201 HydrophobicContact CD2-CG 4.39Å; L119-Y246 HydrophobicContact CB-CE1 4.46Å; L119-Y246 WeakPolarHBondContact O-CE1 3.17Å; L119-L247 HydrophobicContact CB-CD2 3.93Å; L119-F250 HydrophobicContact CD1-CB 4.05Å; L119-F250 HydrophobicContact CD1-CD1 3.82Å; L119-F250 HydrophobicContact CD1-CD2 3.83Å; L119-F250 HydrophobicContact CD1-CE1 4.17Å; L119-F250 HydrophobicContact CD1-CE2 4.18Å; L119-F250 HydrophobicContact CD1-CG 3.61Å; L119-F250 HydrophobicContact CD1-CZ 4.32Å; L119-F250 HydrophobicContact CD2-CE1 4.21Å; L119-F250 HydrophobicContact CD2-CZ 4.17Å |
| 120 | A | 94.6 | Very high | 92.1 | Very high | 15 Ų | 15 | 63.1 Ų | 63.1 | 12% | 0.124 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -56.5 | -35.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | M116 R122 E243 | M116-A120 PolarHBondContact O-N 3.3Å; A120-R122 VanDerWaalsContact C-N 3.29Å; A120-R122 PolarHBondContact O-N 2.79Å; A120-E243 VanDerWaalsContact CB-CD 3.42Å; A120-E243 HydrophobicContact CB-CG 4.05Å; A120-E243 WeakPolarHBondContact CB-OE2 3.45Å |
| 121 | K | 94.9 | Very high | 93.3 | Very high | 152 Ų | 152 | 60.3 Ų | 60.3 | 66% | 0.661 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -10.6 | -176.8 | -70.2 | 174.6 | -174.9 | -177.1 | 0 | 114.7 | Q117 S118 L119 K123 | Q117-K121 WeakPolarHBondContact O-CG 3.11Å; S118-K121 PolarHBondContact O-N 3.34Å; L119-K121 PolarHBondContact O-N 3.45Å; K121-K123 WeakPolarHBondContact O-CG 3.22Å; K121-K123 PolarHBondContact O-N 2.93Å |
| 122 | R | 95.8 | Very high | 94.1 | Very high | 17 Ų | 17 | 55.1 Ų | 55.1 | 6% | 0.064 | 28% | 0.276 | C | S | . | . | trans | -65.1 | 131.2 | -178.1 | -60.2 | -163.8 | -178.5 | -174.8 | -0.4 | 110.9 | L119 A120 T172 R173 Y175 K176 D200 R201 T202 | L119-R122 WeakPolarHBondContact O-CG 3.43Å; L119-R122 PolarHBondContact O-N 3.42Å; A120-R122 VanDerWaalsContact C-N 3.29Å; A120-R122 PolarHBondContact O-N 2.79Å; R122-T172 PolarHBondContact NH1-O 3.26Å; R122-R173 WeakPolarHBondContact CD-O 3.45Å; R122-R173 WeakPolarHBondContact CG-O 3.38Å; R122-R173 PolarHBondContact NE-O 3.3Å; R122-Y175 WeakPolarHBondContact CD-O 3.49Å; R122-Y175 PolarHBondContact NH1-O 2.63Å; R122-K176 HydrophobicContact CB-CG 4.09Å; R122-K176 VanDerWaalsContact O-CE 3.23Å; R122-K176 WeakPolarHBondContact O-CE 3.27Å; R122-D200 PolarHBondContact NH2-O 3.31Å; R122-R201 VanDerWaalsContact CZ-O 3.24Å; R122-R201 PolarHBondContact NH1-O 2.69Å; R122-R201 PolarHBondContact NH2-O 2.92Å; R122-T202 VanDerWaalsContact NH1-CG2 3.3Å | ||
| 123 | K | 94.7 | Very high | 94.5 | Very high | 175 Ų | 175 | 56.9 Ų | 56.9 | 76% | 0.761 | 29% | 0.289 | S | S | * | . | trans | -110 | -27.6 | -171.7 | -61.4 | -57.8 | -176.8 | -179.1 | 0 | 114.6 | K121 K174 | K121-K123 WeakPolarHBondContact O-CG 3.22Å; K121-K123 PolarHBondContact O-N 2.93Å; K123-K174 PolarHBondContact N-O 2.99Å | ||
| 124 | R | 97.5 | Very high | 94.9 | Very high | 82 Ų | 82 | 54.3 Ų | 54.3 | 31% | 0.309 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 141 | 178.2 | -58.7 | -175.5 | 77.6 | 160.4 | 9.4 | 109.6 | D153 Y155 K174 Y175 K176 | R124-D153 IonicContact CZ-OD2 2.73Å; R124-D153 IonicContact NE-OD2 3.13Å; R124-D153 PolarHBondContact NE-OD2 2.97Å; R124-D153 IonicContact NH2-OD1 2.84Å; R124-D153 PolarHBondContact NH2-OD1 2.69Å; R124-D153 IonicContact NH2-OD2 3.44Å; R124-D153 PolarHBondContact NH2-OD2 2.8Å; R124-Y155 PolarHBondContact NH1-OH 2.82Å; R124-K174 WeakPolarHBondContact CB-O 3.29Å; R124-K174 HydrophobicContact CG-CB 4.28Å; R124-K174 PolarHBondContact N-O 3.2Å; R124-Y175 HydrophobicContact CB-CD1 3.37Å; R124-Y175 HydrophobicContact CB-CD2 4.42Å; R124-Y175 HydrophobicContact CB-CE1 3.49Å; R124-Y175 VanDerWaalsContact CB-CE1 3.49Å; R124-Y175 HydrophobicContact CB-CG 3.89Å; R124-Y175 HydrophobicContact CG-CD1 4.5Å; R124-Y175 HydrophobicContact CG-CE1 4.29Å; R124-Y175 VanDerWaalsContact CZ-CZ 3.46Å; R124-Y175 PolarHBondContact NE-OH 2.85Å; R124-Y175 VanDerWaalsContact NE-OH 3.1Å; R124-Y175 PolarHBondContact NH1-OH 3.03Å; R124-Y175 VanDerWaalsContact NH1-OH 3.13Å; R124-Y175 PolarHBondContact NH2-OH 3.45Å; R124-Y175 VanDerWaalsContact NH2-OH 3.08Å; R124-Y175 CarbonylContact O-C 3.43Å; R124-Y175 VanDerWaalsContact O-CA 3.3Å; R124-Y175 WeakPolarHBondContact O-CA 3.21Å; R124-K176 PolarHBondContact O-N 3.47Å |
| 125 | L | 98.2 | Very high | 95.2 | Very high | 24 Ų | 24 | 52.1 Ų | 52.1 | 13% | 0.126 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | -74.8 | -173 | -174.3 | 65 | 0 | 0 | 0 | 110.9 | I150 K176 F177 L236 N240 | L125-I150 HydrophobicContact CD2-CB 3.94Å; L125-I150 HydrophobicContact CD2-CD1 4.1Å; L125-I150 HydrophobicContact CD2-CG2 3.95Å; L125-K176 PolarHBondContact O-N 2.93Å; L125-F177 HydrophobicContact CD1-CD2 3.95Å; L125-F177 HydrophobicContact CD1-CE2 3.83Å; L125-F177 HydrophobicContact CG-CD2 4.42Å; L125-F177 WeakPolarHBondContact O-CD2 3.46Å; L125-F177 PolarHBondContact O-N 3.44Å; L125-L236 HydrophobicContact CD1-CB 4.49Å; L125-N240 HydrophobicContact CD1-CB 3.74Å |
| 126 | V | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 142.5 | -169.4 | 62.7 | 0 | 0 | 0 | 0 | 111.4 | I150 Q151 V152 D153 F177 I179 I205 | V126-I150 HydrophobicContact CG1-CD1 3.98Å; V126-Q151 VanDerWaalsContact CG1-O 3.3Å; V126-Q151 WeakPolarHBondContact CG1-O 3.43Å; V126-V152 HydrophobicContact CG1-CB 4.25Å; V126-V152 HydrophobicContact CG1-CG1 4.3Å; V126-V152 HydrophobicContact CG1-CG2 3.87Å; V126-D153 PolarHBondContact O-N 3.3Å; V126-F177 WeakPolarHBondContact CA-O 3.17Å; V126-F177 HydrophobicContact CB-CB 4.03Å; V126-F177 HydrophobicContact CG2-CB 3.93Å; V126-I179 HydrophobicContact CG2-CD1 3.76Å; V126-I179 HydrophobicContact CG2-CG1 3.57Å; V126-I205 HydrophobicContact CG2-CD1 4Å |
| 127 | F | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 159.4 | 168.3 | 76.5 | -75.8 | 0 | 0 | 0 | 112.5 | L129 D153 Y155 T172 Y175 F177 R178 I179 T202 | F127-L129 HydrophobicContact CE2-CB 4.42Å; F127-D153 CarbonylContact C-O 3.5Å; F127-D153 WeakPolarHBondContact CA-O 3.2Å; F127-D153 HydrophobicContact CB-CB 4.27Å; F127-D153 WeakPolarHBondContact CB-O 3.41Å; F127-Y155 HydrophobicContact CB-CD2 4.26Å; F127-Y155 HydrophobicContact CB-CE2 4.09Å; F127-Y155 HydrophobicContact CD2-CD2 4.2Å; F127-T172 HydrophobicContact CE1-CG2 4.4Å; F127-T172 HydrophobicContact CZ-CG2 3.76Å; F127-Y175 HydrophobicContact CB-CD1 3.86Å; F127-Y175 HydrophobicContact CB-CD2 4.32Å; F127-Y175 HydrophobicContact CB-CE1 3.59Å; F127-Y175 HydrophobicContact CB-CE2 4.07Å; F127-Y175 HydrophobicContact CB-CG 4.2Å; F127-Y175 AromaticContact CD1-CD1 3.83Å; F127-Y175 HydrophobicContact CD1-CD1 3.83Å; F127-Y175 AromaticContact CD1-CD2 3.61Å; F127-Y175 HydrophobicContact CD1-CD2 3.61Å; F127-Y175 HydrophobicContact CD1-CE1 4.36Å; F127-Y175 HydrophobicContact CD1-CE2 4.16Å; F127-Y175 AromaticContact CD1-CG 3.41Å; F127-Y175 HydrophobicContact CD1-CG 3.41Å; F127-Y175 VanDerWaalsContact CD1-CG 3.41Å; F127-Y175 HydrophobicContact CE1-CD2 4.15Å; F127-Y175 HydrophobicContact CE1-CG 4.12Å; F127-Y175 HydrophobicContact CG-CD1 4.29Å; F127-Y175 HydrophobicContact CG-CD2 4.13Å; F127-Y175 HydrophobicContact CG-CE1 4.38Å; F127-Y175 HydrophobicContact CG-CE2 4.21Å; F127-Y175 HydrophobicContact CG-CG 4.15Å; F127-F177 WeakPolarHBondContact CD1-O 3.48Å; F127-F177 PolarHBondContact N-O 3.46Å; F127-R178 HydrophobicContact CD1-CB 4.33Å; F127-R178 HydrophobicContact CE1-CB 3.64Å; F127-R178 HydrophobicContact CE1-CG 3.8Å; F127-R178 HydrophobicContact CE2-CG 3.9Å; F127-R178 HydrophobicContact CZ-CB 3.84Å; F127-R178 VanDerWaalsContact CZ-CD 3.46Å; F127-R178 HydrophobicContact CZ-CG 3.45Å; F127-R178 VanDerWaalsContact CZ-CG 3.45Å; F127-I179 PolarHBondContact O-N 2.88Å; F127-T202 HydrophobicContact CE1-CG2 4.06Å |
| 128 | W | 97.8 | Very high | 95.7 | Very high | 11 Ų | 11 | 45.8 Ų | 45.8 | 4% | 0.042 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 129.8 | 173.1 | -177.1 | 40.9 | 0 | 0 | 0 | 110 | A130 R139 I143 V152 D153 V154 Y155 C158 I179 | W128-A130 HydrophobicContact CD2-CB 4.11Å; W128-A130 VanDerWaalsContact CE2-CB 3.45Å; W128-A130 HydrophobicContact CH2-CB 4.08Å; W128-A130 HydrophobicContact CZ2-CB 3.44Å; W128-A130 VanDerWaalsContact CZ2-CB 3.44Å; W128-R139 HydrophobicContact CH2-CG 4.47Å; W128-R139 HydrophobicContact CZ2-CG 3.94Å; W128-I143 HydrophobicContact CD2-CD1 4.02Å; W128-I143 HydrophobicContact CD2-CG1 3.97Å; W128-I143 HydrophobicContact CE3-CB 4.17Å; W128-I143 HydrophobicContact CE3-CD1 4.09Å; W128-I143 HydrophobicContact CE3-CG1 3.71Å; W128-I143 HydrophobicContact CE3-CG2 3.71Å; W128-I143 HydrophobicContact CG-CD1 4.28Å; W128-I143 HydrophobicContact CH2-CG1 4.02Å; W128-I143 HydrophobicContact CZ2-CG1 4.26Å; W128-I143 HydrophobicContact CZ3-CB 4Å; W128-I143 HydrophobicContact CZ3-CG1 3.74Å; W128-I143 HydrophobicContact CZ3-CG2 3.82Å; W128-V152 HydrophobicContact CB-CG1 4.3Å; W128-D153 PolarHBondContact N-O 2.88Å; W128-V154 HydrophobicContact CD2-CG1 4.48Å; W128-V154 HydrophobicContact CE3-CG1 3.66Å; W128-V154 HydrophobicContact CE3-CG2 4.18Å; W128-V154 HydrophobicContact CZ3-CG1 4.21Å; W128-V154 CarbonylContact O-C 3.54Å; W128-V154 WeakPolarHBondContact O-CA 3.35Å; W128-Y155 PolarHBondContact O-N 3.25Å; W128-C158 HydrophobicContact CZ3-CB 4.44Å; W128-I179 HydrophobicContact CB-CB 3.97Å; W128-I179 HydrophobicContact CB-CD1 4.31Å; W128-I179 HydrophobicContact CB-CG2 4.37Å; W128-I179 HydrophobicContact CG-CB 4.09Å; W128-I179 HydrophobicContact CG-CG2 3.99Å |
| 129 | L | 95.9 | Very high | 95.9 | Very high | 43 Ų | 43 | 42.4 Ų | 42.4 | 23% | 0.225 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 110.8 | 176.3 | 174.6 | 60.9 | 0 | 0 | 0 | 108.8 | F127 L163 I168 | F127-L129 HydrophobicContact CE2-CB 4.42Å; L129-L163 HydrophobicContact CD1-CD1 3.94Å; L129-L163 HydrophobicContact CD1-CG 4.45Å; L129-L163 HydrophobicContact CD2-CD1 4.16Å; L129-I168 HydrophobicContact CD2-CD1 3.93Å |
| 130 | A | 94.7 | Very high | 95.9 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 2% | 0.017 | 22% | 0.223 | C | C | . | . | trans | -148.1 | 143.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113 | W128 Y155 G156 K157 C158 | W128-A130 HydrophobicContact CD2-CB 4.11Å; W128-A130 VanDerWaalsContact CE2-CB 3.45Å; W128-A130 HydrophobicContact CH2-CB 4.08Å; W128-A130 HydrophobicContact CZ2-CB 3.44Å; W128-A130 VanDerWaalsContact CZ2-CB 3.44Å; A130-Y155 PolarHBondContact N-O 3.29Å; A130-G156 CarbonylContact O-C 3.41Å; A130-G156 WeakPolarHBondContact O-CA 3.36Å; A130-K157 PolarHBondContact O-N 2.75Å; A130-C158 HydrophobicContact CB-CB 4.42Å; A130-C158 PolarHBondContact O-N 2.85Å; A130-C158 VanDerWaalsContact O-N 3.09Å; A130-C158 PolarHBondContact O-SG 3.19Å; A130-C158 VanDerWaalsContact O-SG 3.34Å | ||
| 131 | S | 93.1 | Very high | 96 | Very high | 69 Ų | 69 | 49.3 Ų | 49.3 | 48% | 0.483 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -117.7 | -13.1 | 176.2 | -64.9 | 0 | 0 | 0 | 0 | 114.2 | ||
| 132 | K | 93.3 | Very high | 96.1 | Very high | 68 Ų | 68 | 42.1 Ų | 42.1 | 30% | 0.296 | 21% | 0.209 | S | C | . | . | trans | -102.6 | 108.3 | 172.6 | -170.5 | -178.6 | -177.9 | 179.1 | 0 | 108.5 | E70 S134 T135 R139 C158 N183 | E70-K132 IonicContact OE1-NZ 3.58Å; E70-K132 PolarHBondContact OE1-NZ 3.2Å; E70-K132 IonicContact OE2-NZ 2.73Å; E70-K132 PolarHBondContact OE2-NZ 2.88Å; K132-S134 WeakPolarHBondContact CE-O 3Å; K132-S134 WeakPolarHBondContact CG-O 3.35Å; K132-T135 HydrophobicContact CB-CG2 4.36Å; K132-T135 HydrophobicContact CD-CG2 4.14Å; K132-T135 HydrophobicContact CG-CG2 3.98Å; K132-T135 WeakPolarHBondContact O-CG2 3.48Å; K132-R139 PolarHBondContact O-NH2 3.4Å; K132-C158 VanDerWaalsContact C-SG 3.55Å; K132-N183 HydrophobicContact CD-CB 4.28Å | ||
| 133 | C | 94.6 | Very high | 96.2 | Very high | 60 Ų | 60 | 41.5 Ų | 41.5 | 41% | 0.405 | 21% | 0.208 | S | C | . | . | trans | -101.4 | -1.3 | -166.9 | -43.8 | 0 | 0 | 0 | 0 | 114.2 | E140 C158 | C133-E140 WeakPolarHBondContact O-CG 3.2Å; C133-C158 WeakPolarHBondContact CA-SG 3.47Å; C133-C158 HydrophobicContact CB-CB 3.98Å; C133-C158 WeakPolarHBondContact CB-SG 3.48Å; C133-C158 PolarHBondContact N-SG 3.13Å; C133-C158 VanDerWaalsContact N-SG 3.44Å; C133-C158 WeakPolarHBondContact SG-CA 3.42Å; C133-C158 WeakPolarHBondContact SG-CB 3.35Å; C133-C158 PolarHBondContact SG-N 2.65Å; C133-C158 VanDerWaalsContact SG-N 3.43Å; C133-C158 CovalentContact SG-SG 2.05Å; C133-C158 PolarHBondContact SG-SG 2.85Å | ||
| 134 | S | 95 | Very high | 96.3 | Very high | 94 Ų | 94 | 38 Ų | 38 | 66% | 0.657 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -131.7 | 121.9 | 168.7 | 177.8 | 0 | 0 | 0 | 0 | 107 | K132 | K132-S134 WeakPolarHBondContact CE-O 3Å; K132-S134 WeakPolarHBondContact CG-O 3.35Å |
| 135 | T | 95.7 | Very high | 96.3 | Very high | 12 Ų | 12 | 34.6 Ų | 34.6 | 7% | 0.074 | 19% | 0.186 | C | C | . | . | trans | -139.3 | 152.7 | -167.5 | 64.9 | 0 | 0 | 0 | 0 | 112.9 | K132 S137 G138 R139 E140 N183 | K132-T135 HydrophobicContact CB-CG2 4.36Å; K132-T135 HydrophobicContact CD-CG2 4.14Å; K132-T135 HydrophobicContact CG-CG2 3.98Å; K132-T135 WeakPolarHBondContact O-CG2 3.48Å; T135-S137 PolarHBondContact O-N 3.21Å; T135-S137 PolarHBondContact OG1-OG 3.1Å; T135-G138 PolarHBondContact O-N 3.23Å; T135-G138 VanDerWaalsContact O-N 3.07Å; T135-G138 PolarHBondContact OG1-N 2.72Å; T135-R139 HydrophobicContact CG2-CG 4.38Å; T135-R139 WeakPolarHBondContact OG1-CG 3.44Å; T135-R139 PolarHBondContact OG1-N 3.32Å; T135-E140 PolarHBondContact N-OE2 2.68Å; T135-E140 PolarHBondContact OG1-OE2 3.07Å; T135-N183 WeakPolarHBondContact CB-O 3.35Å; T135-N183 HydrophobicContact CG2-CB 4.23Å | ||
| 136 | H | 95.5 | Very high | 96.3 | Very high | 64 Ų | 64 | 33.4 Ų | 33.4 | 30% | 0.296 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -27.9 | 178 | -65.7 | -63.2 | 0 | 0 | 0 | 112.7 | P69 E70 G138 N183 T184 F299 N300 | P69-H136 PolarHBondContact O-NE2 3Å; E70-H136 IonicContact OE1-CD2 3.71Å; H136-G138 VanDerWaalsContact C-N 3.28Å; H136-G138 PolarHBondContact O-N 3.47Å; H136-N183 PolarHBondContact N-O 3.37Å; H136-T184 HydrophobicContact CB-CG2 4.07Å; H136-F299 HydrophobicContact CB-CD1 3.81Å; H136-F299 HydrophobicContact CB-CE1 3.97Å; H136-F299 AromaticContact CG-CE1 3.87Å; H136-F299 AromaticContact ND1-CD1 3.83Å; H136-F299 AromaticContact ND1-CE1 3.57Å; H136-F299 CarbonylContact O-C 3.49Å; H136-F299 WeakPolarHBondContact O-CA 3.25Å; H136-N300 PolarHBondContact O-N 3.27Å |
| 137 | S | 96.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -20.9 | 174.5 | 62.2 | 0 | 0 | 0 | 0 | 113.3 | T135 R139 E182 N183 N300 F301 A302 | T135-S137 PolarHBondContact O-N 3.21Å; T135-S137 PolarHBondContact OG1-OG 3.1Å; S137-R139 VanDerWaalsContact C-N 3.28Å; S137-R139 WeakPolarHBondContact OG-CB 3.43Å; S137-R139 PolarHBondContact OG-N 3.49Å; S137-E182 WeakPolarHBondContact CB-O 3.44Å; S137-E182 PolarHBondContact OG-O 3.07Å; S137-N183 WeakPolarHBondContact CB-O 3.45Å; S137-N183 PolarHBondContact N-O 3.08Å; S137-N183 PolarHBondContact OG-O 3.45Å; S137-N300 CarbonylContact O-C 3.59Å; S137-F301 PolarHBondContact O-N 2.67Å; S137-F301 VanDerWaalsContact O-N 3.16Å; S137-A302 VanDerWaalsContact O-CB 3.29Å; S137-A302 WeakPolarHBondContact O-CB 3.15Å; S137-A302 PolarHBondContact O-N 3.06Å |
| 138 | G | 96.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | 70.4 | 22.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | T135 H136 E140 W141 | T135-G138 PolarHBondContact O-N 3.23Å; T135-G138 VanDerWaalsContact O-N 3.07Å; T135-G138 PolarHBondContact OG1-N 2.72Å; H136-G138 VanDerWaalsContact C-N 3.28Å; H136-G138 PolarHBondContact O-N 3.47Å; G138-E140 PolarHBondContact O-N 3.21Å; G138-W141 WeakPolarHBondContact O-CB 3.43Å; G138-W141 PolarHBondContact O-N 2.86Å; G138-W141 VanDerWaalsContact O-N 3.1Å | ||
| 139 | R | 96.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.1 | -31.6 | -172.1 | 75.3 | -170.4 | 179.3 | -169.7 | -11.3 | 113.4 | W128 K132 T135 S137 W141 Y142 I143 F181 N183 L207 A302 | W128-R139 HydrophobicContact CH2-CG 4.47Å; W128-R139 HydrophobicContact CZ2-CG 3.94Å; K132-R139 PolarHBondContact O-NH2 3.4Å; T135-R139 HydrophobicContact CG2-CG 4.38Å; T135-R139 WeakPolarHBondContact OG1-CG 3.44Å; T135-R139 PolarHBondContact OG1-N 3.32Å; S137-R139 VanDerWaalsContact C-N 3.28Å; S137-R139 WeakPolarHBondContact OG-CB 3.43Å; S137-R139 PolarHBondContact OG-N 3.49Å; R139-W141 VanDerWaalsContact C-N 3.25Å; R139-W141 PolarHBondContact O-N 3.32Å; R139-Y142 PolarHBondContact O-N 3.42Å; R139-I143 WeakPolarHBondContact O-CG1 3.41Å; R139-I143 PolarHBondContact O-N 3.02Å; R139-I143 VanDerWaalsContact O-N 3.08Å; R139-F181 HydrophobicContact CB-CB 3.76Å; R139-F181 HydrophobicContact CB-CD2 3.89Å; R139-F181 HydrophobicContact CB-CG 4.24Å; R139-F181 WeakPolarHBondContact CD-O 3.39Å; R139-F181 HydrophobicContact CG-CB 4.24Å; R139-F181 PolarHBondContact NH1-O 2.9Å; R139-N183 PolarHBondContact NH1-OD1 2.59Å; R139-N183 PolarHBondContact NH2-OD1 2.03Å; R139-L207 HydrophobicContact CB-CD1 4.43Å; R139-A302 HydrophobicContact CB-CB 4.49Å |
| 140 | E | 96.4 | Very high | 96.4 | Very high | 29 Ų | 29 | 51.1 Ų | 51.1 | 14% | 0.136 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59 | -36.4 | 177.7 | 60.7 | -76.6 | 172.3 | 0 | 0 | 112.3 | C133 T135 G138 I143 L144 | C133-E140 WeakPolarHBondContact O-CG 3.2Å; T135-E140 PolarHBondContact N-OE2 2.68Å; T135-E140 PolarHBondContact OG1-OE2 3.07Å; G138-E140 PolarHBondContact O-N 3.21Å; E140-I143 PolarHBondContact O-N 3.48Å; E140-L144 WeakPolarHBondContact O-CG 3.27Å; E140-L144 PolarHBondContact O-N 3.19Å |
| 141 | W | 96.5 | Very high | 96.5 | Very high | 134 Ų | 134 | 57.6 Ų | 57.6 | 51% | 0.508 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -68.7 | -40.4 | 177.7 | -64.7 | 103.8 | 0 | 0 | 0 | 112.1 | G138 R139 I143 L144 A145 | G138-W141 WeakPolarHBondContact O-CB 3.43Å; G138-W141 PolarHBondContact O-N 2.86Å; G138-W141 VanDerWaalsContact O-N 3.1Å; R139-W141 VanDerWaalsContact C-N 3.25Å; R139-W141 PolarHBondContact O-N 3.32Å; W141-I143 VanDerWaalsContact C-N 3.31Å; W141-I143 PolarHBondContact O-N 3.21Å; W141-L144 HydrophobicContact CE3-CD1 3.95Å; W141-L144 HydrophobicContact CZ3-CD1 4.13Å; W141-L144 PolarHBondContact O-N 3.41Å; W141-A145 PolarHBondContact O-N 3.27Å |
| 142 | Y | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.5 | -39.9 | 174.9 | -168.9 | -80.3 | 0 | 0 | 0 | 111.3 | R139 L144 A145 L146 F181 V223 A229 L232 A302 Y305 A306 | R139-Y142 PolarHBondContact O-N 3.42Å; Y142-L144 PolarHBondContact O-N 3.35Å; Y142-A145 PolarHBondContact O-N 3.02Å; Y142-L146 HydrophobicContact CD1-CB 4.43Å; Y142-L146 HydrophobicContact CE1-CB 4.33Å; Y142-L146 HydrophobicContact CE1-CD2 4.32Å; Y142-L146 WeakPolarHBondContact O-CB 3.34Å; Y142-L146 PolarHBondContact O-N 3.4Å; Y142-F181 AromaticContact CD1-CE2 3.61Å; Y142-F181 HydrophobicContact CD1-CE2 3.61Å; Y142-F181 AromaticContact CD1-CZ 3.76Å; Y142-F181 HydrophobicContact CD1-CZ 3.76Å; Y142-F181 HydrophobicContact CE1-CE2 4.29Å; Y142-F181 AromaticContact CE1-CZ 3.98Å; Y142-F181 HydrophobicContact CE1-CZ 3.98Å; Y142-F181 HydrophobicContact CG-CE2 4.27Å; Y142-V223 HydrophobicContact CD1-CG1 4.5Å; Y142-V223 HydrophobicContact CE1-CB 4.32Å; Y142-V223 HydrophobicContact CE1-CG1 3.78Å; Y142-V223 HydrophobicContact CE2-CB 3.93Å; Y142-V223 HydrophobicContact CE2-CG1 4.28Å; Y142-V223 HydrophobicContact CE2-CG2 4.03Å; Y142-A229 HydrophobicContact CE1-CB 4.35Å; Y142-A229 HydrophobicContact CE2-CB 4.24Å; Y142-L232 HydrophobicContact CE1-CD2 3.85Å; Y142-L232 WeakPolarHBondContact OH-CD2 3.41Å; Y142-A302 WeakPolarHBondContact CD2-O 3.11Å; Y142-Y305 WeakPolarHBondContact CE2-O 3.3Å; Y142-A306 HydrophobicContact CD2-CB 4.35Å |
| 143 | I | 97.6 | Very high | 97 | Very high | 5 Ų | 5 | 52.6 Ų | 52.6 | 3% | 0.026 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.1 | -42.5 | 175.8 | -62.7 | -68 | 0 | 0 | 0 | 111.4 | W128 R139 E140 W141 A145 L146 K147 I179 F181 | W128-I143 HydrophobicContact CD2-CD1 4.02Å; W128-I143 HydrophobicContact CD2-CG1 3.97Å; W128-I143 HydrophobicContact CE3-CB 4.17Å; W128-I143 HydrophobicContact CE3-CD1 4.09Å; W128-I143 HydrophobicContact CE3-CG1 3.71Å; W128-I143 HydrophobicContact CE3-CG2 3.71Å; W128-I143 HydrophobicContact CG-CD1 4.28Å; W128-I143 HydrophobicContact CH2-CG1 4.02Å; W128-I143 HydrophobicContact CZ2-CG1 4.26Å; W128-I143 HydrophobicContact CZ3-CB 4Å; W128-I143 HydrophobicContact CZ3-CG1 3.74Å; W128-I143 HydrophobicContact CZ3-CG2 3.82Å; R139-I143 WeakPolarHBondContact O-CG1 3.41Å; R139-I143 PolarHBondContact O-N 3.02Å; R139-I143 VanDerWaalsContact O-N 3.08Å; E140-I143 PolarHBondContact O-N 3.48Å; W141-I143 VanDerWaalsContact C-N 3.31Å; W141-I143 PolarHBondContact O-N 3.21Å; I143-A145 VanDerWaalsContact C-N 3.29Å; I143-A145 PolarHBondContact O-N 2.83Å; I143-L146 PolarHBondContact O-N 3.12Å; I143-K147 HydrophobicContact CG2-CD 4.03Å; I143-K147 HydrophobicContact CG2-CG 4.32Å; I143-K147 WeakPolarHBondContact O-CB 3.16Å; I143-K147 VanDerWaalsContact O-CG 3.29Å; I143-K147 WeakPolarHBondContact O-CG 3.42Å; I143-K147 PolarHBondContact O-N 3.15Å; I143-I179 HydrophobicContact CD1-CD1 3.45Å; I143-I179 VanDerWaalsContact CD1-CD1 3.45Å; I143-I179 HydrophobicContact CD1-CG2 3.9Å; I143-F181 HydrophobicContact CD1-CD2 3.92Å; I143-F181 HydrophobicContact CD1-CE2 3.63Å; I143-F181 HydrophobicContact CG1-CD2 4.17Å; I143-F181 HydrophobicContact CG1-CE2 4.14Å |
| 144 | L | 96.8 | Very high | 97.1 | Very high | 100 Ų | 100 | 50.9 Ų | 50.9 | 52% | 0.524 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.1 | -39.6 | 175.7 | -71.6 | 173.6 | 0 | 0 | 0 | 112.1 | E140 W141 Y142 | E140-L144 WeakPolarHBondContact O-CG 3.27Å; E140-L144 PolarHBondContact O-N 3.19Å; W141-L144 HydrophobicContact CE3-CD1 3.95Å; W141-L144 HydrophobicContact CZ3-CD1 4.13Å; W141-L144 PolarHBondContact O-N 3.41Å; Y142-L144 PolarHBondContact O-N 3.35Å |
| 145 | A | 97.8 | Very high | 97.1 | Very high | 11 Ų | 11 | 47.7 Ų | 47.7 | 9% | 0.091 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.4 | -46.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | W141 Y142 I143 K147 R148 Y149 A229 A306 | W141-A145 PolarHBondContact O-N 3.27Å; Y142-A145 PolarHBondContact O-N 3.02Å; I143-A145 VanDerWaalsContact C-N 3.29Å; I143-A145 PolarHBondContact O-N 2.83Å; A145-K147 VanDerWaalsContact C-N 3.29Å; A145-K147 PolarHBondContact O-N 2.69Å; A145-R148 VanDerWaalsContact O-CB 3.26Å; A145-R148 WeakPolarHBondContact O-CB 3.12Å; A145-R148 WeakPolarHBondContact O-CG 3.47Å; A145-R148 PolarHBondContact O-N 3.47Å; A145-Y149 WeakPolarHBondContact O-CD2 3.5Å; A145-A229 HydrophobicContact CB-CB 4Å; A145-A306 HydrophobicContact CB-CB 3.96Å; A145-A306 WeakPolarHBondContact CB-OXT 3.28Å |
| 146 | L | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.7 | -38 | 179.5 | -174.4 | 63.6 | 0 | 0 | 0 | 112.4 | Y142 I143 R148 Y149 I150 V152 I179 A229 L232 A233 | Y142-L146 HydrophobicContact CD1-CB 4.43Å; Y142-L146 HydrophobicContact CE1-CB 4.33Å; Y142-L146 HydrophobicContact CE1-CD2 4.32Å; Y142-L146 WeakPolarHBondContact O-CB 3.34Å; Y142-L146 PolarHBondContact O-N 3.4Å; I143-L146 PolarHBondContact O-N 3.12Å; L146-R148 PolarHBondContact O-N 3.44Å; L146-R148 VanDerWaalsContact O-N 3.1Å; L146-Y149 PolarHBondContact O-N 3.27Å; L146-I150 HydrophobicContact CD1-CD1 3.77Å; L146-I150 HydrophobicContact CD1-CG1 3.94Å; L146-I150 HydrophobicContact CD2-CD1 4.23Å; L146-I150 HydrophobicContact CG-CD1 3.91Å; L146-I150 HydrophobicContact CG-CG1 3.93Å; L146-I150 PolarHBondContact O-N 2.89Å; L146-V152 HydrophobicContact CD2-CG2 4.07Å; L146-V152 HydrophobicContact CG-CG2 4.12Å; L146-I179 HydrophobicContact CD2-CD1 3.94Å; L146-A229 HydrophobicContact CB-CB 4.4Å; L146-A229 HydrophobicContact CD1-CB 4.5Å; L146-A229 WeakPolarHBondContact CD1-O 3.45Å; L146-L232 HydrophobicContact CD1-CD2 4.18Å; L146-L232 HydrophobicContact CD1-CG 4.39Å; L146-L232 HydrophobicContact CD2-CD2 4.39Å; L146-A233 HydrophobicContact CD1-CB 4.05Å |
| 147 | K | 97.8 | Very high | 97 | Very high | 108 Ų | 108 | 51.6 Ų | 51.6 | 47% | 0.47 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -14.4 | 176.8 | -77 | -178.8 | 85.8 | 177.1 | 0 | 114.3 | I143 A145 Y149 I150 V152 | I143-K147 HydrophobicContact CG2-CD 4.03Å; I143-K147 HydrophobicContact CG2-CG 4.32Å; I143-K147 WeakPolarHBondContact O-CB 3.16Å; I143-K147 VanDerWaalsContact O-CG 3.29Å; I143-K147 WeakPolarHBondContact O-CG 3.42Å; I143-K147 PolarHBondContact O-N 3.15Å; A145-K147 VanDerWaalsContact C-N 3.29Å; A145-K147 PolarHBondContact O-N 2.69Å; K147-Y149 VanDerWaalsContact C-N 3.29Å; K147-I150 WeakPolarHBondContact CA-O 3.3Å; K147-V152 HydrophobicContact CD-CB 4.37Å; K147-V152 HydrophobicContact CG-CB 3.75Å; K147-V152 HydrophobicContact CG-CG2 3.84Å |
| 148 | R | 98 | Very high | 96.9 | Very high | 200 Ų | 200 | 53.3 Ų | 53.3 | 76% | 0.755 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -21 | 173.8 | -60.2 | 177.8 | 176.6 | -170 | -3 | 112.7 | A145 L146 | A145-R148 VanDerWaalsContact O-CB 3.26Å; A145-R148 WeakPolarHBondContact O-CB 3.12Å; A145-R148 WeakPolarHBondContact O-CG 3.47Å; A145-R148 PolarHBondContact O-N 3.47Å; L146-R148 PolarHBondContact O-N 3.44Å; L146-R148 VanDerWaalsContact O-N 3.1Å |
| 149 | Y | 98.3 | Very high | 96.7 | Very high | 104 Ų | 104 | 54.9 Ų | 54.9 | 41% | 0.408 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | -26.3 | -171.6 | -53.8 | -67.5 | 0 | 0 | 0 | 113.4 | A145 L146 K147 A229 R230 A233 | A145-Y149 WeakPolarHBondContact O-CD2 3.5Å; L146-Y149 PolarHBondContact O-N 3.27Å; K147-Y149 VanDerWaalsContact C-N 3.29Å; Y149-A229 HydrophobicContact CE2-CB 4.42Å; Y149-R230 HydrophobicContact CD1-CB 4.17Å; Y149-R230 HydrophobicContact CD1-CG 3.96Å; Y149-R230 HydrophobicContact CD2-CB 4.03Å; Y149-R230 HydrophobicContact CE1-CB 3.92Å; Y149-R230 HydrophobicContact CE1-CG 3.9Å; Y149-R230 HydrophobicContact CE2-CB 3.77Å; Y149-R230 HydrophobicContact CG-CB 4.22Å; Y149-R230 HydrophobicContact CG-CG 4.33Å; Y149-A233 HydrophobicContact CG-CB 4.29Å |
| 150 | I | 98.2 | Very high | 96.5 | Very high | 13 Ų | 13 | 58.1 Ų | 58.1 | 7% | 0.067 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -143.4 | 155.8 | 177.6 | 54.1 | 172 | 0 | 0 | 0 | 111.8 | L125 V126 L146 K147 V152 A233 L236 | L125-I150 HydrophobicContact CD2-CB 3.94Å; L125-I150 HydrophobicContact CD2-CD1 4.1Å; L125-I150 HydrophobicContact CD2-CG2 3.95Å; V126-I150 HydrophobicContact CG1-CD1 3.98Å; L146-I150 HydrophobicContact CD1-CD1 3.77Å; L146-I150 HydrophobicContact CD1-CG1 3.94Å; L146-I150 HydrophobicContact CD2-CD1 4.23Å; L146-I150 HydrophobicContact CG-CD1 3.91Å; L146-I150 HydrophobicContact CG-CG1 3.93Å; L146-I150 PolarHBondContact O-N 2.89Å; K147-I150 WeakPolarHBondContact CA-O 3.3Å; I150-V152 HydrophobicContact CD1-CG2 4.46Å; I150-V152 HydrophobicContact CG1-CG2 4.2Å; I150-V152 PolarHBondContact O-N 3.04Å; I150-A233 HydrophobicContact CD1-CB 4.35Å; I150-A233 HydrophobicContact CG1-CB 4.16Å; I150-A233 HydrophobicContact CG2-CB 3.78Å; I150-L236 HydrophobicContact CD1-CD1 3.62Å |
| 151 | Q | 97 | Very high | 96.2 | Very high | 139 Ų | 139 | 60.4 Ų | 60.4 | 65% | 0.65 | 30% | 0.304 | S | S | * | . | trans | -69.3 | 119.4 | 169.9 | -178.4 | 176.4 | -6.8 | 0 | 0 | 110.3 | V126 D153 | V126-Q151 VanDerWaalsContact CG1-O 3.3Å; V126-Q151 WeakPolarHBondContact CG1-O 3.43Å; Q151-D153 PolarHBondContact NE2-OD1 3.46Å | ||
| 152 | V | 98.1 | Very high | 95.9 | Very high | 7 Ų | 7 | 59.2 Ų | 59.2 | 4% | 0.042 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 113.7 | 170.2 | -173 | 0 | 0 | 0 | 0 | 109.1 | V126 W128 L146 K147 I150 V154 I179 | V126-V152 HydrophobicContact CG1-CB 4.25Å; V126-V152 HydrophobicContact CG1-CG1 4.3Å; V126-V152 HydrophobicContact CG1-CG2 3.87Å; W128-V152 HydrophobicContact CB-CG1 4.3Å; L146-V152 HydrophobicContact CD2-CG2 4.07Å; L146-V152 HydrophobicContact CG-CG2 4.12Å; K147-V152 HydrophobicContact CD-CB 4.37Å; K147-V152 HydrophobicContact CG-CB 3.75Å; K147-V152 HydrophobicContact CG-CG2 3.84Å; I150-V152 HydrophobicContact CD1-CG2 4.46Å; I150-V152 HydrophobicContact CG1-CG2 4.2Å; I150-V152 PolarHBondContact O-N 3.04Å; V152-V154 HydrophobicContact CG1-CG2 4.34Å; V152-I179 HydrophobicContact CG1-CD1 3.89Å |
| 153 | D | 97.6 | Very high | 95.4 | Very high | 25 Ų | 25 | 60.8 Ų | 60.8 | 13% | 0.134 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 121.5 | 175.4 | -64.6 | -47.9 | 0 | 0 | 0 | 109.6 | R124 V126 F127 W128 Q151 Y155 Y175 | R124-D153 IonicContact CZ-OD2 2.73Å; R124-D153 IonicContact NE-OD2 3.13Å; R124-D153 PolarHBondContact NE-OD2 2.97Å; R124-D153 IonicContact NH2-OD1 2.84Å; R124-D153 PolarHBondContact NH2-OD1 2.69Å; R124-D153 IonicContact NH2-OD2 3.44Å; R124-D153 PolarHBondContact NH2-OD2 2.8Å; V126-D153 PolarHBondContact O-N 3.3Å; F127-D153 CarbonylContact C-O 3.5Å; F127-D153 WeakPolarHBondContact CA-O 3.2Å; F127-D153 HydrophobicContact CB-CB 4.27Å; F127-D153 WeakPolarHBondContact CB-O 3.41Å; W128-D153 PolarHBondContact N-O 2.88Å; Q151-D153 PolarHBondContact NE2-OD1 3.46Å; D153-Y155 HydrophobicContact CB-CE2 4.02Å; D153-Y175 HydrophobicContact CB-CE1 3.97Å; D153-Y175 WeakPolarHBondContact CB-OH 3.49Å; D153-Y175 WeakPolarHBondContact OD2-CE1 3.41Å; D153-Y175 PolarHBondContact OD2-OH 3.29Å |
| 154 | V | 97.1 | Very high | 94.9 | Very high | 23 Ų | 23 | 65 Ų | 65 | 14% | 0.139 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 128.1 | -174.8 | -170.6 | 0 | 0 | 0 | 0 | 110.3 | W128 V152 | W128-V154 HydrophobicContact CD2-CG1 4.48Å; W128-V154 HydrophobicContact CE3-CG1 3.66Å; W128-V154 HydrophobicContact CE3-CG2 4.18Å; W128-V154 HydrophobicContact CZ3-CG1 4.21Å; W128-V154 CarbonylContact O-C 3.54Å; W128-V154 WeakPolarHBondContact O-CA 3.35Å; V152-V154 HydrophobicContact CG1-CG2 4.34Å |
| 155 | Y | 95.9 | Very high | 94.2 | Very high | 28 Ų | 28 | 70.4 Ų | 70.4 | 11% | 0.11 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 165.2 | 178.2 | -62 | -80.6 | 0 | 0 | 0 | 111.2 | R124 F127 W128 A130 D153 T161 L163 L171 Y175 | R124-Y155 PolarHBondContact NH1-OH 2.82Å; F127-Y155 HydrophobicContact CB-CD2 4.26Å; F127-Y155 HydrophobicContact CB-CE2 4.09Å; F127-Y155 HydrophobicContact CD2-CD2 4.2Å; W128-Y155 PolarHBondContact O-N 3.25Å; A130-Y155 PolarHBondContact N-O 3.29Å; D153-Y155 HydrophobicContact CB-CE2 4.02Å; Y155-T161 HydrophobicContact CD1-CG2 4.04Å; Y155-T161 HydrophobicContact CE1-CG2 4.34Å; Y155-L163 HydrophobicContact CD1-CD2 3.69Å; Y155-L163 HydrophobicContact CD1-CG 4.22Å; Y155-L163 HydrophobicContact CE1-CD2 4.21Å; Y155-L163 HydrophobicContact CG-CD1 4.3Å; Y155-L163 HydrophobicContact CG-CD2 4.28Å; Y155-L163 HydrophobicContact CG-CG 4.39Å; Y155-L171 HydrophobicContact CD2-CD2 3.96Å; Y155-L171 HydrophobicContact CE1-CD1 4.31Å; Y155-L171 HydrophobicContact CE1-CD2 4.43Å; Y155-L171 HydrophobicContact CE2-CD1 3.98Å; Y155-L171 HydrophobicContact CE2-CD2 3.85Å; Y155-L171 HydrophobicContact CE2-CG 4.39Å; Y155-L171 HydrophobicContact CG-CD2 4.29Å; Y155-L171 WeakPolarHBondContact OH-CD1 3.36Å; Y155-Y175 HydrophobicContact CE2-CE2 4.42Å; Y155-Y175 VanDerWaalsContact CE2-OH 3.3Å; Y155-Y175 WeakPolarHBondContact CE2-OH 3.36Å; Y155-Y175 PolarHBondContact OH-OH 2.62Å |
| 156 | G | 94 | Very high | 93.5 | Very high | 3 Ų | 3 | 72.5 Ų | 72.5 | 3% | 0.031 | 39% | 0.388 | C | S | . | . | S | Bend | trans | 84.6 | -169.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A130 C158 G159 G160 T161 | A130-G156 CarbonylContact O-C 3.41Å; A130-G156 WeakPolarHBondContact O-CA 3.36Å; G156-C158 PolarHBondContact O-N 3.28Å; G156-C158 VanDerWaalsContact O-N 3.16Å; G156-G159 PolarHBondContact O-N 3.09Å; G156-G160 PolarHBondContact O-N 3.26Å; G156-G160 VanDerWaalsContact O-N 3.14Å; G156-T161 PolarHBondContact N-O 3.36Å |
| 157 | K | 94.2 | Very high | 92.9 | Very high | 154 Ų | 154 | 77.8 Ų | 77.8 | 67% | 0.67 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -58.3 | -32 | -177.1 | -61.7 | -175.5 | 176.6 | -179 | 0 | 112.3 | A130 G159 | A130-K157 PolarHBondContact O-N 2.75Å; K157-G159 VanDerWaalsContact C-N 3.29Å; K157-G159 PolarHBondContact O-N 3.18Å |
| 158 | C | 94.8 | Very high | 92.6 | Very high | 37 Ų | 37 | 73.9 Ų | 73.9 | 25% | 0.25 | 41% | 0.407 | C | S | . | . | G | 310 helix | trans | -75.7 | -15.3 | -179.5 | -51 | 0 | 0 | 0 | 0 | 114.1 | W128 A130 K132 C133 G156 | W128-C158 HydrophobicContact CZ3-CB 4.44Å; A130-C158 HydrophobicContact CB-CB 4.42Å; A130-C158 PolarHBondContact O-N 2.85Å; A130-C158 VanDerWaalsContact O-N 3.09Å; A130-C158 PolarHBondContact O-SG 3.19Å; A130-C158 VanDerWaalsContact O-SG 3.34Å; K132-C158 VanDerWaalsContact C-SG 3.55Å; C133-C158 WeakPolarHBondContact CA-SG 3.47Å; C133-C158 HydrophobicContact CB-CB 3.98Å; C133-C158 WeakPolarHBondContact CB-SG 3.48Å; C133-C158 PolarHBondContact N-SG 3.13Å; C133-C158 VanDerWaalsContact N-SG 3.44Å; C133-C158 WeakPolarHBondContact SG-CA 3.42Å; C133-C158 WeakPolarHBondContact SG-CB 3.35Å; C133-C158 PolarHBondContact SG-N 2.65Å; C133-C158 VanDerWaalsContact SG-N 3.43Å; C133-C158 CovalentContact SG-SG 2.05Å; C133-C158 PolarHBondContact SG-SG 2.85Å; G156-C158 PolarHBondContact O-N 3.28Å; G156-C158 VanDerWaalsContact O-N 3.16Å |
| 159 | G | 92.3 | Very high | 92.3 | Very high | 32 Ų | 32 | 66.3 Ų | 66.3 | 33% | 0.33 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -109.6 | -2.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | G156 K157 T161 | G156-G159 PolarHBondContact O-N 3.09Å; K157-G159 VanDerWaalsContact C-N 3.29Å; K157-G159 PolarHBondContact O-N 3.18Å; G159-T161 PolarHBondContact O-N 3.33Å; G159-T161 VanDerWaalsContact O-N 3.08Å |
| 160 | G | 91.3 | Very high | 91.9 | Very high | 68 Ų | 68 | 65.7 Ų | 65.7 | 70% | 0.701 | 39% | 0.385 | S | S | * | . | S | Bend | trans | 74.9 | -17.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | G156 | G156-G160 PolarHBondContact O-N 3.26Å; G156-G160 VanDerWaalsContact O-N 3.14Å |
| 161 | T | 92 | Very high | 91.7 | Very high | 78 Ų | 78 | 65.5 Ų | 65.5 | 48% | 0.479 | 38% | 0.384 | S | S | . | . | trans | -101.1 | 97.7 | 175.7 | -57.1 | 0 | 0 | 0 | 0 | 110.8 | Y155 G156 G159 | Y155-T161 HydrophobicContact CD1-CG2 4.04Å; Y155-T161 HydrophobicContact CE1-CG2 4.34Å; G156-T161 PolarHBondContact N-O 3.36Å; G159-T161 PolarHBondContact O-N 3.33Å; G159-T161 VanDerWaalsContact O-N 3.08Å | ||
| 162 | V | 88.5 | Confident | 91.6 | Very high | 108 Ų | 108 | 59 Ų | 59 | 66% | 0.655 | 35% | 0.354 | S | S | * | . | P | Polyproline II helix | trans | -75.3 | 124.4 | 173.6 | -177.1 | 0 | 0 | 0 | 0 | 109.1 | ||
| 163 | L | 88.5 | Confident | 91.4 | Very high | 33 Ų | 33 | 65.2 Ų | 65.2 | 17% | 0.173 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 147.3 | 176.3 | -62.7 | 177.8 | 0 | 0 | 0 | 110.2 | L129 Y155 I168 L171 | L129-L163 HydrophobicContact CD1-CD1 3.94Å; L129-L163 HydrophobicContact CD1-CG 4.45Å; L129-L163 HydrophobicContact CD2-CD1 4.16Å; Y155-L163 HydrophobicContact CD1-CD2 3.69Å; Y155-L163 HydrophobicContact CD1-CG 4.22Å; Y155-L163 HydrophobicContact CE1-CD2 4.21Å; Y155-L163 HydrophobicContact CG-CD1 4.3Å; Y155-L163 HydrophobicContact CG-CD2 4.28Å; Y155-L163 HydrophobicContact CG-CG 4.39Å; L163-I168 HydrophobicContact CB-CG2 4.4Å; L163-I168 HydrophobicContact CD1-CB 4.48Å; L163-I168 HydrophobicContact CD1-CG2 3.77Å; L163-L171 HydrophobicContact CD1-CD2 3.57Å; L163-L171 HydrophobicContact CD2-CD2 4.16Å |
| 164 | P | 85.7 | Confident | 91.4 | Very high | 93 Ų | 93 | 69.5 Ų | 69.5 | 60% | 0.604 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 149.6 | 174.1 | 25.8 | -33.9 | 0 | 0 | 0 | 110.7 | G166 | P164-G166 PolarHBondContact O-N 3.04Š|
| 165 | K | 81.9 | Confident | 91.4 | Very high | 215 Ų | 215 | 68.4 Ų | 68.4 | 94% | 0.935 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -59.3 | 136 | 171.8 | -68.9 | -170.5 | 178 | -171.8 | 0 | 109.2 | ||
| 166 | G | 84 | Confident | 91.5 | Very high | 54 Ų | 54 | 67.5 Ų | 67.5 | 56% | 0.557 | 38% | 0.384 | S | S | * | . | S | Bend | trans | 119.6 | -170.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | P164 I168 | P164-G166 PolarHBondContact O-N 3.04Å; G166-I168 PolarHBondContact O-N 2.92Å |
| 167 | P | 86.5 | Confident | 91.7 | Very high | 112 Ų | 112 | 67.3 Ų | 67.3 | 73% | 0.727 | 38% | 0.383 | S | S | * | . | trans | -64.6 | 121.5 | -173.4 | -22.2 | 33.3 | 0 | 0 | 0 | 112.9 | S169 | P167-S169 PolarHBondContact O-N 3.27Š| ||
| 168 | I | 91.5 | Very high | 91.9 | Very high | 25 Ų | 25 | 60.4 Ų | 60.4 | 13% | 0.128 | 35% | 0.352 | C | S | . | . | trans | -85.6 | 16.2 | 176.1 | 60.1 | 164.3 | 0 | 0 | 0 | 113 | L129 L163 G166 H170 L171 T172 | L129-I168 HydrophobicContact CD2-CD1 3.93Å; L163-I168 HydrophobicContact CB-CG2 4.4Å; L163-I168 HydrophobicContact CD1-CB 4.48Å; L163-I168 HydrophobicContact CD1-CG2 3.77Å; G166-I168 PolarHBondContact O-N 2.92Å; I168-H170 PolarHBondContact O-N 3.35Å; I168-H170 VanDerWaalsContact O-N 3.11Å; I168-L171 WeakPolarHBondContact O-CA 3.45Å; I168-L171 VanDerWaalsContact O-CB 3.27Å; I168-L171 WeakPolarHBondContact O-CB 3.45Å; I168-L171 PolarHBondContact O-N 3.13Å; I168-T172 HydrophobicContact CD1-CG2 3.72Å; I168-T172 HydrophobicContact CG1-CG2 3.82Å; I168-T172 PolarHBondContact O-N 3.26Å | ||
| 169 | S | 90.6 | Very high | 92.1 | Very high | 41 Ų | 41 | 58.8 Ų | 58.8 | 29% | 0.287 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.2 | -30.6 | -172.9 | 71.3 | 0 | 0 | 0 | 0 | 113.6 | P167 L171 T172 R173 | P167-S169 PolarHBondContact O-N 3.27Å; S169-L171 PolarHBondContact O-N 3.04Å; S169-T172 WeakPolarHBondContact CA-OG1 3.31Å; S169-T172 PolarHBondContact O-OG1 3.44Å; S169-R173 VanDerWaalsContact C-NH1 3.35Å; S169-R173 WeakPolarHBondContact O-CB 3.33Å; S169-R173 VanDerWaalsContact O-CG 3.24Å; S169-R173 WeakPolarHBondContact O-CG 3.46Å; S169-R173 VanDerWaalsContact O-CZ 3.29Å; S169-R173 PolarHBondContact O-N 3.01Å; S169-R173 VanDerWaalsContact O-N 3.13Å; S169-R173 PolarHBondContact O-NH1 2.71Å; S169-R173 PolarHBondContact OG-NH1 2.99Å |
| 170 | H | 91.3 | Very high | 92.4 | Very high | 91 Ų | 91 | 57.2 Ų | 57.2 | 42% | 0.421 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64 | -29.5 | 174.6 | 67.4 | -86.5 | 0 | 0 | 0 | 113.1 | I168 K174 | I168-H170 PolarHBondContact O-N 3.35Å; I168-H170 VanDerWaalsContact O-N 3.11Å; H170-K174 WeakPolarHBondContact O-CE 3.4Å |
| 171 | L | 93.1 | Very high | 92.7 | Very high | 10 Ų | 10 | 54 Ų | 54 | 5% | 0.052 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -81.8 | -54 | 175.1 | -178.3 | 69.3 | 0 | 0 | 0 | 109.7 | Y155 L163 I168 S169 R173 K174 Y175 | Y155-L171 HydrophobicContact CD2-CD2 3.96Å; Y155-L171 HydrophobicContact CE1-CD1 4.31Å; Y155-L171 HydrophobicContact CE1-CD2 4.43Å; Y155-L171 HydrophobicContact CE2-CD1 3.98Å; Y155-L171 HydrophobicContact CE2-CD2 3.85Å; Y155-L171 HydrophobicContact CE2-CG 4.39Å; Y155-L171 HydrophobicContact CG-CD2 4.29Å; Y155-L171 WeakPolarHBondContact OH-CD1 3.36Å; L163-L171 HydrophobicContact CD1-CD2 3.57Å; L163-L171 HydrophobicContact CD2-CD2 4.16Å; I168-L171 WeakPolarHBondContact O-CA 3.45Å; I168-L171 VanDerWaalsContact O-CB 3.27Å; I168-L171 WeakPolarHBondContact O-CB 3.45Å; I168-L171 PolarHBondContact O-N 3.13Å; S169-L171 PolarHBondContact O-N 3.04Å; L171-R173 VanDerWaalsContact C-N 3.29Å; L171-R173 PolarHBondContact O-N 3.12Å; L171-K174 WeakPolarHBondContact O-CB 3.32Å; L171-K174 PolarHBondContact O-N 3.12Å; L171-Y175 HydrophobicContact CD1-CE2 3.67Å; L171-Y175 HydrophobicContact CG-CD2 4.48Å; L171-Y175 HydrophobicContact CG-CE2 3.95Å; L171-Y175 WeakPolarHBondContact O-CD2 3.42Å |
| 172 | T | 94.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.9 | -34.8 | -171.5 | 61.4 | 0 | 0 | 0 | 0 | 113 | R122 F127 I168 S169 K174 Y175 D200 | R122-T172 PolarHBondContact NH1-O 3.26Å; F127-T172 HydrophobicContact CE1-CG2 4.4Å; F127-T172 HydrophobicContact CZ-CG2 3.76Å; I168-T172 HydrophobicContact CD1-CG2 3.72Å; I168-T172 HydrophobicContact CG1-CG2 3.82Å; I168-T172 PolarHBondContact O-N 3.26Å; S169-T172 WeakPolarHBondContact CA-OG1 3.31Å; S169-T172 PolarHBondContact O-OG1 3.44Å; T172-K174 PolarHBondContact O-N 3.01Å; T172-Y175 PolarHBondContact O-N 3.28Å; T172-D200 HydrophobicContact CG2-CB 4.24Å; T172-D200 WeakPolarHBondContact CG2-OD2 3.29Å; T172-D200 PolarHBondContact OG1-OD1 2.83Å |
| 173 | R | 94.5 | Very high | 93.2 | Very high | 139 Ų | 139 | 46.3 Ų | 46.3 | 53% | 0.525 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -16.4 | 174.6 | -77.2 | -170.2 | -61.8 | -88.8 | 4.8 | 114.7 | R122 S169 L171 | R122-R173 WeakPolarHBondContact CD-O 3.45Å; R122-R173 WeakPolarHBondContact CG-O 3.38Å; R122-R173 PolarHBondContact NE-O 3.3Å; S169-R173 VanDerWaalsContact C-NH1 3.35Å; S169-R173 WeakPolarHBondContact O-CB 3.33Å; S169-R173 VanDerWaalsContact O-CG 3.24Å; S169-R173 WeakPolarHBondContact O-CG 3.46Å; S169-R173 VanDerWaalsContact O-CZ 3.29Å; S169-R173 PolarHBondContact O-N 3.01Å; S169-R173 VanDerWaalsContact O-N 3.13Å; S169-R173 PolarHBondContact O-NH1 2.71Å; S169-R173 PolarHBondContact OG-NH1 2.99Å; L171-R173 VanDerWaalsContact C-N 3.29Å; L171-R173 PolarHBondContact O-N 3.12Å |
| 174 | K | 96 | Very high | 93.5 | Very high | 114 Ų | 114 | 44.8 Ų | 44.8 | 50% | 0.496 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -19.1 | 179.4 | -58.9 | 179 | -178.4 | -179.8 | 0 | 113.1 | K123 R124 H170 L171 T172 | K123-K174 PolarHBondContact N-O 2.99Å; R124-K174 WeakPolarHBondContact CB-O 3.29Å; R124-K174 HydrophobicContact CG-CB 4.28Å; R124-K174 PolarHBondContact N-O 3.2Å; H170-K174 WeakPolarHBondContact O-CE 3.4Å; L171-K174 WeakPolarHBondContact O-CB 3.32Å; L171-K174 PolarHBondContact O-N 3.12Å; T172-K174 PolarHBondContact O-N 3.01Å |
| 175 | Y | 98.1 | Very high | 94 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 141.9 | -169.1 | -70.6 | -88.8 | 0 | 0 | 0 | 113.9 | R122 R124 F127 D153 Y155 L171 T172 | R122-Y175 WeakPolarHBondContact CD-O 3.49Å; R122-Y175 PolarHBondContact NH1-O 2.63Å; R124-Y175 HydrophobicContact CB-CD1 3.37Å; R124-Y175 HydrophobicContact CB-CD2 4.42Å; R124-Y175 HydrophobicContact CB-CE1 3.49Å; R124-Y175 VanDerWaalsContact CB-CE1 3.49Å; R124-Y175 HydrophobicContact CB-CG 3.89Å; R124-Y175 HydrophobicContact CG-CD1 4.5Å; R124-Y175 HydrophobicContact CG-CE1 4.29Å; R124-Y175 VanDerWaalsContact CZ-CZ 3.46Å; R124-Y175 PolarHBondContact NE-OH 2.85Å; R124-Y175 VanDerWaalsContact NE-OH 3.1Å; R124-Y175 PolarHBondContact NH1-OH 3.03Å; R124-Y175 VanDerWaalsContact NH1-OH 3.13Å; R124-Y175 PolarHBondContact NH2-OH 3.45Å; R124-Y175 VanDerWaalsContact NH2-OH 3.08Å; R124-Y175 CarbonylContact O-C 3.43Å; R124-Y175 VanDerWaalsContact O-CA 3.3Å; R124-Y175 WeakPolarHBondContact O-CA 3.21Å; F127-Y175 HydrophobicContact CB-CD1 3.86Å; F127-Y175 HydrophobicContact CB-CD2 4.32Å; F127-Y175 HydrophobicContact CB-CE1 3.59Å; F127-Y175 HydrophobicContact CB-CE2 4.07Å; F127-Y175 HydrophobicContact CB-CG 4.2Å; F127-Y175 AromaticContact CD1-CD1 3.83Å; F127-Y175 HydrophobicContact CD1-CD1 3.83Å; F127-Y175 AromaticContact CD1-CD2 3.61Å; F127-Y175 HydrophobicContact CD1-CD2 3.61Å; F127-Y175 HydrophobicContact CD1-CE1 4.36Å; F127-Y175 HydrophobicContact CD1-CE2 4.16Å; F127-Y175 AromaticContact CD1-CG 3.41Å; F127-Y175 HydrophobicContact CD1-CG 3.41Å; F127-Y175 VanDerWaalsContact CD1-CG 3.41Å; F127-Y175 HydrophobicContact CE1-CD2 4.15Å; F127-Y175 HydrophobicContact CE1-CG 4.12Å; F127-Y175 HydrophobicContact CG-CD1 4.29Å; F127-Y175 HydrophobicContact CG-CD2 4.13Å; F127-Y175 HydrophobicContact CG-CE1 4.38Å; F127-Y175 HydrophobicContact CG-CE2 4.21Å; F127-Y175 HydrophobicContact CG-CG 4.15Å; D153-Y175 HydrophobicContact CB-CE1 3.97Å; D153-Y175 WeakPolarHBondContact CB-OH 3.49Å; D153-Y175 WeakPolarHBondContact OD2-CE1 3.41Å; D153-Y175 PolarHBondContact OD2-OH 3.29Å; Y155-Y175 HydrophobicContact CE2-CE2 4.42Å; Y155-Y175 VanDerWaalsContact CE2-OH 3.3Å; Y155-Y175 WeakPolarHBondContact CE2-OH 3.36Å; Y155-Y175 PolarHBondContact OH-OH 2.62Å; L171-Y175 HydrophobicContact CD1-CE2 3.67Å; L171-Y175 HydrophobicContact CG-CD2 4.48Å; L171-Y175 HydrophobicContact CG-CE2 3.95Å; L171-Y175 WeakPolarHBondContact O-CD2 3.42Å; T172-Y175 PolarHBondContact O-N 3.28Å |
| 176 | K | 98.4 | Very high | 94.7 | Very high | 9 Ų | 9 | 30.5 Ų | 30.5 | 4% | 0.039 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | -45.8 | 172.1 | -69.6 | 178.9 | 177.2 | -83.6 | 0 | 111.9 | R122 R124 L125 V203 N240 Y246 | R122-K176 HydrophobicContact CB-CG 4.09Å; R122-K176 VanDerWaalsContact O-CE 3.23Å; R122-K176 WeakPolarHBondContact O-CE 3.27Å; R124-K176 PolarHBondContact O-N 3.47Å; L125-K176 PolarHBondContact O-N 2.93Å; K176-V203 PolarHBondContact O-N 3.09Å; K176-N240 WeakPolarHBondContact CD-OD1 3.41Å; K176-N240 WeakPolarHBondContact CE-OD1 3.4Å; K176-Y246 HydrophobicContact CB-CD2 4.38Å; K176-Y246 HydrophobicContact CB-CE2 3.6Å; K176-Y246 HydrophobicContact CD-CD2 4.46Å; K176-Y246 HydrophobicContact CD-CE2 4.29Å; K176-Y246 HydrophobicContact CG-CE1 4.34Å; K176-Y246 HydrophobicContact CG-CE2 3.85Å |
| 177 | F | 98.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 144.8 | -173.1 | -53.3 | -80.5 | 0 | 0 | 0 | 112.4 | L125 V126 F127 V203 I205 I221 L236 L239 Y246 | L125-F177 HydrophobicContact CD1-CD2 3.95Å; L125-F177 HydrophobicContact CD1-CE2 3.83Å; L125-F177 HydrophobicContact CG-CD2 4.42Å; L125-F177 WeakPolarHBondContact O-CD2 3.46Å; L125-F177 PolarHBondContact O-N 3.44Å; V126-F177 WeakPolarHBondContact CA-O 3.17Å; V126-F177 HydrophobicContact CB-CB 4.03Å; V126-F177 HydrophobicContact CG2-CB 3.93Å; F127-F177 WeakPolarHBondContact CD1-O 3.48Å; F127-F177 PolarHBondContact N-O 3.46Å; F177-V203 WeakPolarHBondContact CA-O 2.75Å; F177-V203 HydrophobicContact CD1-CB 3.64Å; F177-V203 HydrophobicContact CD1-CG1 4.01Å; F177-V203 HydrophobicContact CD1-CG2 4.38Å; F177-V203 HydrophobicContact CE1-CB 3.94Å; F177-V203 HydrophobicContact CE1-CG1 4.15Å; F177-V203 HydrophobicContact CE1-CG2 4.28Å; F177-I205 HydrophobicContact CB-CD1 3.79Å; F177-I205 HydrophobicContact CB-CG1 4.22Å; F177-I205 HydrophobicContact CD1-CD1 4.45Å; F177-I205 HydrophobicContact CG-CD1 4.28Å; F177-I221 HydrophobicContact CD1-CD1 4.02Å; F177-I221 HydrophobicContact CE1-CD1 3.71Å; F177-L236 HydrophobicContact CD1-CD2 3.8Å; F177-L236 HydrophobicContact CD2-CD2 4.06Å; F177-L236 HydrophobicContact CE1-CD2 3.78Å; F177-L236 HydrophobicContact CE2-CB 4.47Å; F177-L236 HydrophobicContact CE2-CD2 4.01Å; F177-L236 HydrophobicContact CG-CD2 3.99Å; F177-L236 HydrophobicContact CZ-CD2 3.9Å; F177-L239 HydrophobicContact CE1-CD1 3.79Å; F177-L239 HydrophobicContact CZ-CB 3.76Å; F177-L239 HydrophobicContact CZ-CD1 3.69Å; F177-L239 HydrophobicContact CZ-CG 4.41Å; F177-Y246 HydrophobicContact CE1-CD2 4.4Å; F177-Y246 HydrophobicContact CZ-CD2 4.04Å; F177-Y246 HydrophobicContact CZ-CE2 4.38Å |
| 178 | R | 98.4 | Very high | 95.4 | Very high | 8 Ų | 8 | 31 Ų | 31 | 3% | 0.03 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 122.6 | 171.4 | -179.3 | 175.7 | 177.3 | 177.3 | -9.5 | 109 | F127 V180 E196 A197 D200 T202 V203 P204 I205 | F127-R178 HydrophobicContact CD1-CB 4.33Å; F127-R178 HydrophobicContact CE1-CB 3.64Å; F127-R178 HydrophobicContact CE1-CG 3.8Å; F127-R178 HydrophobicContact CE2-CG 3.9Å; F127-R178 HydrophobicContact CZ-CB 3.84Å; F127-R178 VanDerWaalsContact CZ-CD 3.46Å; F127-R178 HydrophobicContact CZ-CG 3.45Å; F127-R178 VanDerWaalsContact CZ-CG 3.45Å; R178-V180 HydrophobicContact CG-CG1 3.99Å; R178-V180 PolarHBondContact O-N 3.45Å; R178-E196 IonicContact CZ-OE2 2.61Å; R178-E196 IonicContact NH1-OE2 3.86Å; R178-E196 IonicContact NH2-OE2 2.93Å; R178-E196 PolarHBondContact NH2-OE2 3.44Å; R178-A197 HydrophobicContact CB-CB 4.3Å; R178-A197 HydrophobicContact CG-CB 4.37Å; R178-D200 IonicContact NH1-OD2 3.26Å; R178-D200 PolarHBondContact NH1-OD2 2.94Å; R178-D200 VanDerWaalsContact NH1-OD2 3.13Å; R178-T202 HydrophobicContact CB-CG2 4.38Å; R178-T202 VanDerWaalsContact CB-OG1 3.27Å; R178-T202 WeakPolarHBondContact CB-OG1 3.44Å; R178-V203 PolarHBondContact N-O 2.97Å; R178-P204 CarbonylContact O-C 3.57Å; R178-P204 WeakPolarHBondContact O-CA 3.45Å; R178-I205 PolarHBondContact O-N 3.15Å |
| 179 | I | 98.6 | Very high | 95.6 | Very high | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.015 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 123.7 | 172 | -64.7 | 178.5 | 0 | 0 | 0 | 108.5 | V126 F127 W128 I143 L146 V152 F181 I205 | V126-I179 HydrophobicContact CG2-CD1 3.76Å; V126-I179 HydrophobicContact CG2-CG1 3.57Å; F127-I179 PolarHBondContact O-N 2.88Å; W128-I179 HydrophobicContact CB-CB 3.97Å; W128-I179 HydrophobicContact CB-CD1 4.31Å; W128-I179 HydrophobicContact CB-CG2 4.37Å; W128-I179 HydrophobicContact CG-CB 4.09Å; W128-I179 HydrophobicContact CG-CG2 3.99Å; I143-I179 HydrophobicContact CD1-CD1 3.45Å; I143-I179 VanDerWaalsContact CD1-CD1 3.45Å; I143-I179 HydrophobicContact CD1-CG2 3.9Å; L146-I179 HydrophobicContact CD2-CD1 3.94Å; V152-I179 HydrophobicContact CG1-CD1 3.89Å; I179-F181 HydrophobicContact CG2-CB 4.18Å; I179-F181 HydrophobicContact CG2-CD1 3.67Å; I179-F181 HydrophobicContact CG2-CD2 3.46Å; I179-F181 VanDerWaalsContact CG2-CD2 3.46Å; I179-F181 HydrophobicContact CG2-CE1 3.85Å; I179-F181 HydrophobicContact CG2-CE2 3.66Å; I179-F181 HydrophobicContact CG2-CG 3.48Å; I179-F181 VanDerWaalsContact CG2-CG 3.48Å; I179-F181 HydrophobicContact CG2-CZ 3.84Å; I179-I205 HydrophobicContact CG1-CB 4.32Å; I179-I205 HydrophobicContact CG1-CD1 4.18Å |
| 180 | V | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -122.4 | 39.9 | -175.6 | -67.9 | 0 | 0 | 0 | 0 | 110.8 | R178 E182 R193 F194 A197 P204 I205 V206 | R178-V180 HydrophobicContact CG-CG1 3.99Å; R178-V180 PolarHBondContact O-N 3.45Å; V180-E182 PolarHBondContact O-N 3.47Å; V180-R193 HydrophobicContact CB-CB 4.49Å; V180-R193 HydrophobicContact CG1-CB 4.34Å; V180-R193 WeakPolarHBondContact CG1-O 3.35Å; V180-F194 HydrophobicContact CG2-CD2 4.18Å; V180-A197 HydrophobicContact CG1-CB 3.83Å; V180-P204 HydrophobicContact CG1-CB 4.27Å; V180-P204 HydrophobicContact CG2-CB 3.62Å; V180-I205 WeakPolarHBondContact CG2-O 3.32Å; V180-I205 PolarHBondContact N-O 2.96Å; V180-V206 HydrophobicContact CG2-CB 4.37Å; V180-V206 HydrophobicContact CG2-CG1 3.48Å; V180-V206 VanDerWaalsContact CG2-CG1 3.48Å | ||
| 181 | F | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | trans | -66.4 | 123.1 | -179.9 | -65 | -12.9 | 0 | 0 | 0 | 111.3 | R139 Y142 I143 I179 I205 L207 V223 | R139-F181 HydrophobicContact CB-CB 3.76Å; R139-F181 HydrophobicContact CB-CD2 3.89Å; R139-F181 HydrophobicContact CB-CG 4.24Å; R139-F181 WeakPolarHBondContact CD-O 3.39Å; R139-F181 HydrophobicContact CG-CB 4.24Å; R139-F181 PolarHBondContact NH1-O 2.9Å; Y142-F181 AromaticContact CD1-CE2 3.61Å; Y142-F181 HydrophobicContact CD1-CE2 3.61Å; Y142-F181 AromaticContact CD1-CZ 3.76Å; Y142-F181 HydrophobicContact CD1-CZ 3.76Å; Y142-F181 HydrophobicContact CE1-CE2 4.29Å; Y142-F181 AromaticContact CE1-CZ 3.98Å; Y142-F181 HydrophobicContact CE1-CZ 3.98Å; Y142-F181 HydrophobicContact CG-CE2 4.27Å; I143-F181 HydrophobicContact CD1-CD2 3.92Å; I143-F181 HydrophobicContact CD1-CE2 3.63Å; I143-F181 HydrophobicContact CG1-CD2 4.17Å; I143-F181 HydrophobicContact CG1-CE2 4.14Å; I179-F181 HydrophobicContact CG2-CB 4.18Å; I179-F181 HydrophobicContact CG2-CD1 3.67Å; I179-F181 HydrophobicContact CG2-CD2 3.46Å; I179-F181 VanDerWaalsContact CG2-CD2 3.46Å; I179-F181 HydrophobicContact CG2-CE1 3.85Å; I179-F181 HydrophobicContact CG2-CE2 3.66Å; I179-F181 HydrophobicContact CG2-CG 3.48Å; I179-F181 VanDerWaalsContact CG2-CG 3.48Å; I179-F181 HydrophobicContact CG2-CZ 3.84Å; F181-I205 WeakPolarHBondContact CD1-O 3.31Å; F181-I205 HydrophobicContact CE1-CG2 3.97Å; F181-I205 WeakPolarHBondContact CE1-O 3.46Å; F181-I205 HydrophobicContact CZ-CG2 4.33Å; F181-L207 HydrophobicContact CB-CD1 4.16Å; F181-L207 HydrophobicContact CB-CD2 4.31Å; F181-L207 HydrophobicContact CB-CG 4.03Å; F181-L207 HydrophobicContact CD1-CD2 3.58Å; F181-L207 HydrophobicContact CD1-CG 3.63Å; F181-L207 HydrophobicContact CD2-CD2 3.95Å; F181-L207 HydrophobicContact CE1-CD2 3.74Å; F181-L207 HydrophobicContact CE1-CG 4.2Å; F181-L207 HydrophobicContact CE2-CD2 4.08Å; F181-L207 HydrophobicContact CG-CD1 4.42Å; F181-L207 HydrophobicContact CG-CD2 3.68Å; F181-L207 HydrophobicContact CG-CG 3.83Å; F181-L207 HydrophobicContact CZ-CD2 4Å; F181-V223 HydrophobicContact CE1-CG1 3.63Å; F181-V223 HydrophobicContact CZ-CG1 3.56Å | ||
| 182 | E | 96.9 | Very high | 96.2 | Very high | 7 Ų | 7 | 26.8 Ų | 26.8 | 3% | 0.033 | 12% | 0.119 | C | C | . | . | trans | -73.1 | 155 | 176.5 | -59.7 | -60.4 | 178.1 | 0 | 0 | 112.5 | S137 V180 T184 Y189 T191 | S137-E182 WeakPolarHBondContact CB-O 3.44Å; S137-E182 PolarHBondContact OG-O 3.07Å; V180-E182 PolarHBondContact O-N 3.47Å; E182-T184 VanDerWaalsContact CB-O 3.3Å; E182-T184 WeakPolarHBondContact CB-O 3.36Å; E182-T184 PolarHBondContact O-N 2.78Å; E182-Y189 HydrophobicContact CB-CD1 4.11Å; E182-Y189 HydrophobicContact CB-CE1 4.13Å; E182-Y189 HydrophobicContact CG-CD1 4.2Å; E182-Y189 HydrophobicContact CG-CE1 4.39Å; E182-T191 VanDerWaalsContact CD-CG2 3.47Å; E182-T191 WeakPolarHBondContact OE1-CB 3.44Å; E182-T191 WeakPolarHBondContact OE1-CG2 3.33Å; E182-T191 PolarHBondContact OE1-N 2.68Å; E182-T191 PolarHBondContact OE1-OG1 3.26Å; E182-T191 WeakPolarHBondContact OE2-CG2 3.39Å; E182-T191 PolarHBondContact OE2-OG1 2.76Å | ||
| 183 | N | 94.9 | Very high | 96.3 | Very high | 17 Ų | 17 | 29.1 Ų | 29.1 | 9% | 0.091 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -64.2 | -25.9 | 177 | -59.8 | -16.1 | 0 | 0 | 0 | 111.9 | E70 K132 T135 H136 S137 R139 | E70-N183 WeakPolarHBondContact OE1-CB 3.43Å; K132-N183 HydrophobicContact CD-CB 4.28Å; T135-N183 WeakPolarHBondContact CB-O 3.35Å; T135-N183 HydrophobicContact CG2-CB 4.23Å; H136-N183 PolarHBondContact N-O 3.37Å; S137-N183 WeakPolarHBondContact CB-O 3.45Å; S137-N183 PolarHBondContact N-O 3.08Å; S137-N183 PolarHBondContact OG-O 3.45Å; R139-N183 PolarHBondContact NH1-OD1 2.59Å; R139-N183 PolarHBondContact NH2-OD1 2.03Å |
| 184 | T | 94.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.006 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -141.6 | 144.3 | 179.7 | -47.1 | 0 | 0 | 0 | 0 | 107.9 | T67 P69 E70 H136 E182 C186 C297 | T67-T184 WeakPolarHBondContact OG1-CB 3.41Å; T67-T184 PolarHBondContact OG1-OG1 3.36Å; P69-T184 HydrophobicContact CB-CG2 4.43Å; P69-T184 HydrophobicContact CG-CG2 3.81Å; E70-T184 PolarHBondContact OE1-OG1 2.7Å; H136-T184 HydrophobicContact CB-CG2 4.07Å; E182-T184 VanDerWaalsContact CB-O 3.3Å; E182-T184 WeakPolarHBondContact CB-O 3.36Å; E182-T184 PolarHBondContact O-N 2.78Å; T184-C186 WeakPolarHBondContact CG2-SG 3.06Å; T184-C297 HydrophobicContact CG2-CB 4.02Å |
| 185 | V | 96.1 | Very high | 96.5 | Very high | 6 Ų | 6 | 17.6 Ų | 17.6 | 4% | 0.036 | 8% | 0.081 | C | C | . | . | B | Isolated β-bridge | trans | -97 | 105.7 | 172.5 | 178.7 | 0 | 0 | 0 | 0 | 107.8 | L207 Q208 C297 K298 F301 | V185-L207 HydrophobicContact CG2-CB 4.04Å; V185-L207 HydrophobicContact CG2-CD1 3.53Å; V185-L207 HydrophobicContact CG2-CG 4.45Å; V185-Q208 HydrophobicContact CG1-CB 4.02Å; V185-C297 CarbonylContact O-C 3.57Å; V185-C297 WeakPolarHBondContact O-CA 3.41Å; V185-K298 HydrophobicContact CB-CB 4.39Å; V185-K298 HydrophobicContact CG1-CB 4.48Å; V185-K298 PolarHBondContact O-N 2.81Å; V185-F301 HydrophobicContact CB-CB 4.06Å; V185-F301 HydrophobicContact CB-CG 4.23Å; V185-F301 HydrophobicContact CG1-CB 4.48Å; V185-F301 HydrophobicContact CG1-CD1 4.43Å; V185-F301 HydrophobicContact CG1-CD2 4.27Å; V185-F301 HydrophobicContact CG1-CG 4.13Å; V185-F301 HydrophobicContact CG2-CB 3.77Å; V185-F301 HydrophobicContact CG2-CD1 3.93Å; V185-F301 HydrophobicContact CG2-CG 3.94Å |
| 186 | C | 95.6 | Very high | 96.4 | Very high | 2 Ų | 2 | 20.5 Ų | 20.5 | 1% | 0.014 | 10% | 0.095 | C | C | . | . | trans | -130.8 | 160 | 179.6 | -54 | 0 | 0 | 0 | 0 | 109.8 | T67 T184 Q188 Y189 N295 C297 | T67-C186 VanDerWaalsContact CB-SG 3.53Å; T67-C186 HydrophobicContact CG2-CB 3.77Å; T67-C186 WeakPolarHBondContact CG2-SG 3.26Å; T184-C186 WeakPolarHBondContact CG2-SG 3.06Å; C186-Q188 PolarHBondContact O-N 2.93Å; C186-Y189 PolarHBondContact O-N 3.13Å; C186-N295 CarbonylContact C-O 3.6Å; C186-N295 WeakPolarHBondContact CA-O 3.3Å; C186-N295 VanDerWaalsContact CB-O 3.27Å; C186-N295 WeakPolarHBondContact CB-O 3.14Å; C186-C297 HydrophobicContact CB-CB 4.15Å; C186-C297 WeakPolarHBondContact CB-SG 3.38Å; C186-C297 WeakPolarHBondContact SG-CB 3.13Å; C186-C297 CovalentContact SG-SG 2.03Å; C186-C297 PolarHBondContact SG-SG 3.34Å | ||
| 187 | Q | 92.3 | Very high | 96.4 | Very high | 93 Ų | 93 | 20.1 Ų | 20.1 | 44% | 0.435 | 9% | 0.093 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 127.1 | 175.5 | -178 | 170.1 | 11.2 | 0 | 0 | 110.4 | Y88 Y189 S294 N295 D296 | Y88-Q187 WeakPolarHBondContact CE2-O 3.44Å; Q187-Y189 PolarHBondContact O-N 2.73Å; Q187-S294 PolarHBondContact OE1-O 3.44Å; Q187-N295 WeakPolarHBondContact CB-O 3.14Å; Q187-N295 PolarHBondContact N-O 3.29Å; Q187-D296 HydrophobicContact CB-CB 4.33Å |
| 188 | Q | 92.1 | Very high | 96.3 | Very high | 83 Ų | 83 | 20.2 Ų | 20.2 | 39% | 0.388 | 9% | 0.093 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 11.9 | 175.3 | -63 | 166.2 | -45.7 | 0 | 0 | 115.5 | Y88 L89 C186 I190 | Y88-Q188 WeakPolarHBondContact CD2-O 3.38Å; L89-Q188 HydrophobicContact CD2-CB 4.5Å; C186-Q188 PolarHBondContact O-N 2.93Å; Q188-I190 PolarHBondContact O-N 3.07Å; Q188-I190 VanDerWaalsContact O-N 3.12Å |
| 189 | Y | 96.5 | Very high | 96.2 | Very high | 4 Ų | 4 | 23.3 Ų | 23.3 | 2% | 0.016 | 11% | 0.11 | C | C | . | . | trans | -79.9 | 97 | 178.3 | -172.8 | -127.9 | 0 | 0 | 0 | 111 | R65 E66 T67 Y88 Y98 E182 C186 Q187 T191 T211 | R65-Y189 VanDerWaalsContact O-CE2 3.29Å; R65-Y189 WeakPolarHBondContact O-CE2 3.46Å; E66-Y189 PolarHBondContact OE2-OH 2.71Å; T67-Y189 HydrophobicContact CG2-CD1 3.3Å; T67-Y189 HydrophobicContact CG2-CD2 3.48Å; T67-Y189 VanDerWaalsContact CG2-CD2 3.48Å; T67-Y189 HydrophobicContact CG2-CE1 3.59Å; T67-Y189 HydrophobicContact CG2-CE2 3.81Å; T67-Y189 HydrophobicContact CG2-CG 3.23Å; Y88-Y189 HydrophobicContact CD1-CD2 4.05Å; Y88-Y189 HydrophobicContact CD1-CE2 4.47Å; Y88-Y189 HydrophobicContact CD2-CD2 4.23Å; Y88-Y189 AromaticContact CE1-CD2 3.85Å; Y88-Y189 HydrophobicContact CE1-CD2 3.85Å; Y88-Y189 HydrophobicContact CE1-CE2 4.44Å; Y88-Y189 HydrophobicContact CE2-CD2 4.06Å; Y88-Y189 HydrophobicContact CE2-CG 4.48Å; Y88-Y189 HydrophobicContact CG-CD2 4.25Å; Y88-Y189 AromaticContact CZ-CD2 3.86Å; Y98-Y189 HydrophobicContact CE2-CE2 4.26Å; E182-Y189 HydrophobicContact CB-CD1 4.11Å; E182-Y189 HydrophobicContact CB-CE1 4.13Å; E182-Y189 HydrophobicContact CG-CD1 4.2Å; E182-Y189 HydrophobicContact CG-CE1 4.39Å; C186-Y189 PolarHBondContact O-N 3.13Å; Q187-Y189 PolarHBondContact O-N 2.73Å; Y189-T191 HydrophobicContact CE1-CG2 3.98Å; Y189-T191 HydrophobicContact CE2-CG2 3.75Å; Y189-T191 VanDerWaalsContact CZ-CG2 3.43Å; Y189-T191 WeakPolarHBondContact OH-CG2 3.46Å; Y189-T211 WeakPolarHBondContact O-CG2 3.48Å | ||
| 190 | I | 97 | Very high | 96.1 | Very high | 10 Ų | 10 | 25 Ų | 25 | 5% | 0.051 | 12% | 0.119 | C | C | . | . | trans | -125.3 | 111.9 | 178.3 | -55.8 | 176.9 | 0 | 0 | 0 | 108.2 | Y98 Q188 F194 Y195 T211 Y212 | Y98-I190 WeakPolarHBondContact CD2-O 3.3Å; Q188-I190 PolarHBondContact O-N 3.07Å; Q188-I190 VanDerWaalsContact O-N 3.12Å; I190-F194 HydrophobicContact CG2-CB 3.67Å; I190-F194 HydrophobicContact CG2-CD1 3.81Å; I190-F194 HydrophobicContact CG2-CG 3.93Å; I190-Y195 HydrophobicContact CB-CE2 4.33Å; I190-Y195 HydrophobicContact CG2-CD2 4.31Å; I190-Y195 HydrophobicContact CG2-CE2 3.54Å; I190-T211 WeakPolarHBondContact CD1-O 3.38Å; I190-T211 HydrophobicContact CG1-CG2 4.17Å; I190-Y212 HydrophobicContact CB-CE1 4.3Å; I190-Y212 HydrophobicContact CD1-CD1 3.82Å; I190-Y212 HydrophobicContact CD1-CE1 4.34Å; I190-Y212 HydrophobicContact CD1-CG 4.32Å; I190-Y212 HydrophobicContact CG1-CD1 3.86Å; I190-Y212 HydrophobicContact CG1-CE1 3.87Å; I190-Y212 HydrophobicContact CG1-CG 4.48Å; I190-Y212 HydrophobicContact CG2-CD1 4.09Å; I190-Y212 HydrophobicContact CG2-CE1 3.8Å | ||
| 191 | T | 96.6 | Very high | 96 | Very high | 4 Ų | 4 | 27.1 Ų | 27.1 | 3% | 0.025 | 13% | 0.127 | C | C | . | . | trans | -87 | 176.7 | -178.6 | 67.9 | 0 | 0 | 0 | 0 | 113 | Y98 E182 Y189 R193 F194 Y195 | Y98-T191 HydrophobicContact CE2-CG2 4.16Å; E182-T191 VanDerWaalsContact CD-CG2 3.47Å; E182-T191 WeakPolarHBondContact OE1-CB 3.44Å; E182-T191 WeakPolarHBondContact OE1-CG2 3.33Å; E182-T191 PolarHBondContact OE1-N 2.68Å; E182-T191 PolarHBondContact OE1-OG1 3.26Å; E182-T191 WeakPolarHBondContact OE2-CG2 3.39Å; E182-T191 PolarHBondContact OE2-OG1 2.76Å; Y189-T191 HydrophobicContact CE1-CG2 3.98Å; Y189-T191 HydrophobicContact CE2-CG2 3.75Å; Y189-T191 VanDerWaalsContact CZ-CG2 3.43Å; Y189-T191 WeakPolarHBondContact OH-CG2 3.46Å; T191-R193 PolarHBondContact O-N 3.34Å; T191-R193 VanDerWaalsContact O-N 3.11Å; T191-R193 PolarHBondContact OG1-N 3.21Å; T191-F194 PolarHBondContact O-N 3.09Å; T191-Y195 WeakPolarHBondContact O-CD2 3.41Å | ||
| 192 | E | 95.2 | Very high | 96 | Very high | 61 Ų | 61 | 27.1 Ų | 27.1 | 29% | 0.285 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -51.8 | -32.2 | 174.4 | 71 | -68.9 | 162.9 | 0 | 0 | 112.2 | Y98 F194 Y195 E196 L260 | Y98-E192 HydrophobicContact CD1-CB 4.07Å; Y98-E192 WeakPolarHBondContact CD1-OE2 3.5Å; Y98-E192 WeakPolarHBondContact CE1-OE2 3.41Å; E192-F194 VanDerWaalsContact C-N 3.26Å; E192-F194 PolarHBondContact O-N 3Å; E192-Y195 PolarHBondContact O-N 2.87Å; E192-Y195 VanDerWaalsContact O-N 3.09Å; E192-E196 WeakPolarHBondContact O-CB 3.48Å; E192-E196 VanDerWaalsContact O-CG 3.28Å; E192-E196 WeakPolarHBondContact O-CG 3.36Å; E192-E196 PolarHBondContact O-N 3.44Å; E192-L260 HydrophobicContact CB-CD2 4.11Å |
| 193 | R | 95.4 | Very high | 96 | Very high | 50 Ų | 50 | 26.9 Ų | 26.9 | 19% | 0.189 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.2 | -38.6 | -175.9 | -60.7 | 178.3 | -175.6 | -177.8 | 3.3 | 112.8 | V180 T191 A197 | V180-R193 HydrophobicContact CB-CB 4.49Å; V180-R193 HydrophobicContact CG1-CB 4.34Å; V180-R193 WeakPolarHBondContact CG1-O 3.35Å; T191-R193 PolarHBondContact O-N 3.34Å; T191-R193 VanDerWaalsContact O-N 3.11Å; T191-R193 PolarHBondContact OG1-N 3.21Å; R193-A197 WeakPolarHBondContact O-CB 3.48Å; R193-A197 PolarHBondContact O-N 3.43Å |
| 194 | F | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -68.9 | -47.6 | 178 | -177 | -101.3 | 0 | 0 | 0 | 111.3 | F101 V180 I190 T191 E192 A197 L198 P204 V206 Y212 A215 F220 | F101-F194 HydrophobicContact CZ-CD1 4.3Å; F101-F194 AromaticContact CZ-CE1 3.8Å; F101-F194 HydrophobicContact CZ-CE1 3.8Å; V180-F194 HydrophobicContact CG2-CD2 4.18Å; I190-F194 HydrophobicContact CG2-CB 3.67Å; I190-F194 HydrophobicContact CG2-CD1 3.81Å; I190-F194 HydrophobicContact CG2-CG 3.93Å; T191-F194 PolarHBondContact O-N 3.09Å; E192-F194 VanDerWaalsContact C-N 3.26Å; E192-F194 PolarHBondContact O-N 3Å; F194-A197 WeakPolarHBondContact O-CB 3.05Å; F194-A197 PolarHBondContact O-N 3.4Å; F194-L198 HydrophobicContact CD1-CD1 4.05Å; F194-L198 HydrophobicContact CE1-CD1 3.52Å; F194-L198 HydrophobicContact CE1-CG 4.33Å; F194-L198 HydrophobicContact CZ-CD1 4Å; F194-L198 WeakPolarHBondContact O-CG 3.04Å; F194-L198 PolarHBondContact O-N 3.14Å; F194-P204 HydrophobicContact CD2-CB 3.8Å; F194-P204 HydrophobicContact CD2-CG 4.1Å; F194-P204 HydrophobicContact CE2-CB 3.74Å; F194-P204 HydrophobicContact CE2-CG 3.83Å; F194-P204 HydrophobicContact CZ-CG 4.47Å; F194-V206 HydrophobicContact CD2-CG1 3.69Å; F194-V206 HydrophobicContact CE2-CG1 3.69Å; F194-Y212 HydrophobicContact CB-CE1 3.91Å; F194-Y212 AromaticContact CD1-CD1 3.94Å; F194-Y212 HydrophobicContact CD1-CD1 3.94Å; F194-Y212 HydrophobicContact CD1-CE1 4.15Å; F194-Y212 AromaticContact CD2-CD1 3.46Å; F194-Y212 HydrophobicContact CD2-CD1 3.46Å; F194-Y212 VanDerWaalsContact CD2-CD1 3.46Å; F194-Y212 AromaticContact CD2-CE1 3.3Å; F194-Y212 HydrophobicContact CD2-CE1 3.3Å; F194-Y212 AromaticContact CE1-CD1 3.91Å; F194-Y212 HydrophobicContact CE1-CD1 3.91Å; F194-Y212 AromaticContact CE2-CD1 3.45Å; F194-Y212 HydrophobicContact CE2-CD1 3.45Å; F194-Y212 VanDerWaalsContact CE2-CD1 3.45Å; F194-Y212 AromaticContact CE2-CE1 3.79Å; F194-Y212 HydrophobicContact CE2-CE1 3.79Å; F194-Y212 HydrophobicContact CE2-CG 4.25Å; F194-Y212 AromaticContact CG-CD1 3.72Å; F194-Y212 HydrophobicContact CG-CD1 3.72Å; F194-Y212 AromaticContact CG-CE1 3.52Å; F194-Y212 HydrophobicContact CG-CE1 3.52Å; F194-Y212 AromaticContact CZ-CD1 3.69Å; F194-Y212 HydrophobicContact CZ-CD1 3.69Å; F194-Y212 HydrophobicContact CZ-CE1 4.39Å; F194-Y212 HydrophobicContact CZ-CG 4.44Å; F194-A215 HydrophobicContact CE1-CB 3.7Å; F194-A215 HydrophobicContact CZ-CB 3.67Å; F194-F220 HydrophobicContact CE2-CB 3.85Å; F194-F220 HydrophobicContact CE2-CD1 4.31Å; F194-F220 HydrophobicContact CE2-CG 4.08Å; F194-F220 HydrophobicContact CZ-CB 4.19Å; F194-F220 AromaticContact CZ-CD1 3.98Å; F194-F220 HydrophobicContact CZ-CD1 3.98Å; F194-F220 HydrophobicContact CZ-CG 4.21Å |
| 195 | Y | 97.8 | Very high | 96.4 | Very high | 11 Ų | 11 | 26 Ų | 26 | 4% | 0.043 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.6 | -41.4 | 179.8 | -59.8 | -75.7 | 0 | 0 | 0 | 111.7 | G99 F101 I190 T191 E192 L198 L199 V258 L260 | G99-Y195 VanDerWaalsContact C-CZ 3.42Å; G99-Y195 VanDerWaalsContact N-CE2 3.31Å; G99-Y195 PolarHBondContact O-OH 3.27Å; F101-Y195 HydrophobicContact CE1-CD1 4.13Å; F101-Y195 HydrophobicContact CE1-CE1 4.07Å; F101-Y195 HydrophobicContact CE2-CE1 4Å; F101-Y195 AromaticContact CZ-CD1 4Å; F101-Y195 HydrophobicContact CZ-CD1 4Å; F101-Y195 AromaticContact CZ-CE1 3.56Å; F101-Y195 HydrophobicContact CZ-CE1 3.56Å; I190-Y195 HydrophobicContact CB-CE2 4.33Å; I190-Y195 HydrophobicContact CG2-CD2 4.31Å; I190-Y195 HydrophobicContact CG2-CE2 3.54Å; T191-Y195 WeakPolarHBondContact O-CD2 3.41Å; E192-Y195 PolarHBondContact O-N 2.87Å; E192-Y195 VanDerWaalsContact O-N 3.09Å; Y195-L198 PolarHBondContact O-N 3.08Å; Y195-L199 VanDerWaalsContact O-CG 3.31Å; Y195-L199 WeakPolarHBondContact O-CG 3.21Å; Y195-L199 PolarHBondContact O-N 2.86Å; Y195-V258 HydrophobicContact CD1-CG1 3.81Å; Y195-V258 HydrophobicContact CG-CG1 4.33Å; Y195-L260 HydrophobicContact CG-CD2 4.42Å |
| 196 | E | 96.3 | Very high | 96.5 | Very high | 62 Ų | 62 | 25.7 Ų | 25.7 | 29% | 0.29 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -59.5 | -44.1 | 172.6 | -73.5 | 178 | 172.7 | 0 | 0 | 111.9 | R178 E192 L198 L199 D200 L260 | R178-E196 IonicContact CZ-OE2 2.61Å; R178-E196 IonicContact NH1-OE2 3.86Å; R178-E196 IonicContact NH2-OE2 2.93Å; R178-E196 PolarHBondContact NH2-OE2 3.44Å; E192-E196 WeakPolarHBondContact O-CB 3.48Å; E192-E196 VanDerWaalsContact O-CG 3.28Å; E192-E196 WeakPolarHBondContact O-CG 3.36Å; E192-E196 PolarHBondContact O-N 3.44Å; E196-L198 VanDerWaalsContact C-N 3.27Å; E196-L198 PolarHBondContact O-N 3.43Å; E196-L199 PolarHBondContact O-N 2.76Å; E196-L199 VanDerWaalsContact O-N 3.13Å; E196-D200 VanDerWaalsContact O-CB 3.29Å; E196-D200 WeakPolarHBondContact O-CB 3.37Å; E196-D200 PolarHBondContact O-N 2.05Å; E196-L260 HydrophobicContact CG-CD1 4.34Å; E196-L260 HydrophobicContact CG-CD2 4.48Å |
| 197 | A | 97.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -56.9 | -43.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R178 V180 R193 F194 R201 T202 P204 | R178-A197 HydrophobicContact CB-CB 4.3Å; R178-A197 HydrophobicContact CG-CB 4.37Å; V180-A197 HydrophobicContact CG1-CB 3.83Å; R193-A197 WeakPolarHBondContact O-CB 3.48Å; R193-A197 PolarHBondContact O-N 3.43Å; F194-A197 WeakPolarHBondContact O-CB 3.05Å; F194-A197 PolarHBondContact O-N 3.4Å; A197-R201 PolarHBondContact O-N 3.13Å; A197-R201 VanDerWaalsContact O-N 3.13Å; A197-T202 CarbonylContact C-O 3.57Å; A197-T202 WeakPolarHBondContact CA-OG1 3.48Å; A197-T202 PolarHBondContact O-N 3.03Å; A197-T202 PolarHBondContact O-OG1 3.16Å; A197-T202 VanDerWaalsContact O-OG1 3.04Å; A197-P204 HydrophobicContact CB-CB 3.98Å; A197-P204 HydrophobicContact CB-CG 3.75Å |
| 198 | L | 97.5 | Very high | 96.9 | Very high | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -68.6 | -38.4 | 176.1 | -64.2 | 178.4 | 0 | 0 | 0 | 112.3 | F101 F194 Y195 E196 R201 P204 W252 V258 | F101-L198 HydrophobicContact CE1-CD1 3.63Å; F101-L198 HydrophobicContact CZ-CD1 4.16Å; F194-L198 HydrophobicContact CD1-CD1 4.05Å; F194-L198 HydrophobicContact CE1-CD1 3.52Å; F194-L198 HydrophobicContact CE1-CG 4.33Å; F194-L198 HydrophobicContact CZ-CD1 4Å; F194-L198 WeakPolarHBondContact O-CG 3.04Å; F194-L198 PolarHBondContact O-N 3.14Å; Y195-L198 PolarHBondContact O-N 3.08Å; E196-L198 VanDerWaalsContact C-N 3.27Å; E196-L198 PolarHBondContact O-N 3.43Å; L198-R201 WeakPolarHBondContact O-CD 3.3Å; L198-R201 PolarHBondContact O-N 3.44Å; L198-R201 PolarHBondContact O-NH1 2.94Å; L198-P204 HydrophobicContact CD2-CG 3.59Å; L198-P204 HydrophobicContact CG-CG 4.01Å; L198-W252 HydrophobicContact CB-CH2 3.89Å; L198-W252 HydrophobicContact CB-CZ2 3.97Å; L198-W252 HydrophobicContact CD2-CH2 4.38Å; L198-W252 HydrophobicContact CD2-CZ2 3.7Å; L198-W252 HydrophobicContact CG-CZ2 4.33Å; L198-V258 HydrophobicContact CB-CG2 3.96Å; L198-V258 HydrophobicContact CD1-CG2 4.13Å |
| 199 | L | 95.8 | Very high | 97.1 | Very high | 73 Ų | 73 | 22.8 Ų | 22.8 | 38% | 0.382 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -65 | -41.8 | 174.7 | -73.1 | 168.7 | 0 | 0 | 0 | 112 | Y195 E196 R201 V258 L260 | Y195-L199 VanDerWaalsContact O-CG 3.31Å; Y195-L199 WeakPolarHBondContact O-CG 3.21Å; Y195-L199 PolarHBondContact O-N 2.86Å; E196-L199 PolarHBondContact O-N 2.76Å; E196-L199 VanDerWaalsContact O-N 3.13Å; L199-R201 PolarHBondContact O-N 2.89Å; L199-V258 HydrophobicContact CD1-CG1 4.45Å; L199-V258 HydrophobicContact CD2-CB 3.99Å; L199-V258 HydrophobicContact CD2-CG1 4.33Å; L199-V258 HydrophobicContact CG-CB 4.19Å; L199-V258 HydrophobicContact CG-CG1 4.05Å; L199-L260 HydrophobicContact CD1-CD1 3.86Å; L199-L260 HydrophobicContact CD1-CG 3.84Å |
| 200 | D | 95.3 | Very high | 97.1 | Very high | 38 Ų | 38 | 26.1 Ų | 26.1 | 20% | 0.203 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -5.6 | 176.5 | -75.5 | -39.1 | 0 | 0 | 0 | 113.6 | R122 T172 R178 E196 T202 | R122-D200 PolarHBondContact NH2-O 3.31Å; T172-D200 HydrophobicContact CG2-CB 4.24Å; T172-D200 WeakPolarHBondContact CG2-OD2 3.29Å; T172-D200 PolarHBondContact OG1-OD1 2.83Å; R178-D200 IonicContact NH1-OD2 3.26Å; R178-D200 PolarHBondContact NH1-OD2 2.94Å; R178-D200 VanDerWaalsContact NH1-OD2 3.13Å; E196-D200 VanDerWaalsContact O-CB 3.29Å; E196-D200 WeakPolarHBondContact O-CB 3.37Å; E196-D200 PolarHBondContact O-N 2.05Å; D200-T202 VanDerWaalsContact C-N 3.26Å; D200-T202 HydrophobicContact CB-CG2 4.47Å; D200-T202 PolarHBondContact O-N 3.46Å |
| 201 | R | 96.2 | Very high | 97.1 | Very high | 45 Ų | 45 | 26.2 Ų | 26.2 | 17% | 0.17 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 37.7 | -176.2 | -50 | -62.1 | -171.5 | -113.6 | -3.4 | 113.3 | E115 L119 R122 A197 L198 L199 F250 | E115-R201 IonicContact OE1-CZ 2.91Å; E115-R201 IonicContact OE1-NE 2.6Å; E115-R201 PolarHBondContact OE1-NE 2.98Å; E115-R201 IonicContact OE1-NH2 3.57Å; E115-R201 PolarHBondContact OE1-NH2 2.95Å; L119-R201 HydrophobicContact CD2-CB 3.5Å; L119-R201 HydrophobicContact CD2-CG 4.39Å; R122-R201 VanDerWaalsContact CZ-O 3.24Å; R122-R201 PolarHBondContact NH1-O 2.69Å; R122-R201 PolarHBondContact NH2-O 2.92Å; A197-R201 PolarHBondContact O-N 3.13Å; A197-R201 VanDerWaalsContact O-N 3.13Å; L198-R201 WeakPolarHBondContact O-CD 3.3Å; L198-R201 PolarHBondContact O-N 3.44Å; L198-R201 PolarHBondContact O-NH1 2.94Å; L199-R201 PolarHBondContact O-N 2.89Å; R201-F250 HydrophobicContact CB-CE1 4.11Å; R201-F250 WeakPolarHBondContact O-CE1 3.44Å; R201-F250 WeakPolarHBondContact O-CZ 3.48Å |
| 202 | T | 97.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | P | Polyproline II helix | trans | -98.8 | 134.2 | 166.1 | 53.4 | 0 | 0 | 0 | 0 | 108.1 | R122 F127 R178 A197 D200 P204 | R122-T202 VanDerWaalsContact NH1-CG2 3.3Å; F127-T202 HydrophobicContact CE1-CG2 4.06Å; R178-T202 HydrophobicContact CB-CG2 4.38Å; R178-T202 VanDerWaalsContact CB-OG1 3.27Å; R178-T202 WeakPolarHBondContact CB-OG1 3.44Å; A197-T202 CarbonylContact C-O 3.57Å; A197-T202 WeakPolarHBondContact CA-OG1 3.48Å; A197-T202 PolarHBondContact O-N 3.03Å; A197-T202 PolarHBondContact O-OG1 3.16Å; A197-T202 VanDerWaalsContact O-OG1 3.04Å; D200-T202 VanDerWaalsContact C-N 3.26Å; D200-T202 HydrophobicContact CB-CG2 4.47Å; D200-T202 PolarHBondContact O-N 3.46Å; T202-P204 WeakPolarHBondContact O-CD 3.43Å |
| 203 | V | 98.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 116.5 | 176.4 | -179.1 | 0 | 0 | 0 | 0 | 108.2 | K176 F177 R178 I221 Y246 Y249 F250 | K176-V203 PolarHBondContact O-N 3.09Å; F177-V203 WeakPolarHBondContact CA-O 2.75Å; F177-V203 HydrophobicContact CD1-CB 3.64Å; F177-V203 HydrophobicContact CD1-CG1 4.01Å; F177-V203 HydrophobicContact CD1-CG2 4.38Å; F177-V203 HydrophobicContact CE1-CB 3.94Å; F177-V203 HydrophobicContact CE1-CG1 4.15Å; F177-V203 HydrophobicContact CE1-CG2 4.28Å; R178-V203 PolarHBondContact N-O 2.97Å; V203-I221 HydrophobicContact CG1-CD1 4.08Å; V203-I221 HydrophobicContact CG1-CG1 4.07Å; V203-Y246 HydrophobicContact CG2-CD2 4.44Å; V203-Y246 HydrophobicContact CG2-CE2 3.95Å; V203-Y249 HydrophobicContact CG1-CD1 3.55Å; V203-Y249 HydrophobicContact CG1-CE1 4.09Å; V203-Y249 HydrophobicContact CG1-CG 3.87Å; V203-Y249 HydrophobicContact CG2-CD1 4.49Å; V203-Y249 HydrophobicContact CG2-CG 4.01Å; V203-F250 HydrophobicContact CG2-CE1 4.11Å; V203-F250 HydrophobicContact CG2-CE2 3.86Å; V203-F250 HydrophobicContact CG2-CZ 3.48Å; V203-F250 VanDerWaalsContact CG2-CZ 3.48Å |
| 204 | P | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 136.1 | -179.4 | -9.8 | 25.8 | 0 | 0 | 0 | 110.5 | R178 V180 F194 A197 L198 T202 V206 S219 F220 I221 | R178-P204 CarbonylContact O-C 3.57Å; R178-P204 WeakPolarHBondContact O-CA 3.45Å; V180-P204 HydrophobicContact CG1-CB 4.27Å; V180-P204 HydrophobicContact CG2-CB 3.62Å; F194-P204 HydrophobicContact CD2-CB 3.8Å; F194-P204 HydrophobicContact CD2-CG 4.1Å; F194-P204 HydrophobicContact CE2-CB 3.74Å; F194-P204 HydrophobicContact CE2-CG 3.83Å; F194-P204 HydrophobicContact CZ-CG 4.47Å; A197-P204 HydrophobicContact CB-CB 3.98Å; A197-P204 HydrophobicContact CB-CG 3.75Å; L198-P204 HydrophobicContact CD2-CG 3.59Å; L198-P204 HydrophobicContact CG-CG 4.01Å; T202-P204 WeakPolarHBondContact O-CD 3.43Å; P204-V206 HydrophobicContact CB-CG1 4.5Å; P204-S219 WeakPolarHBondContact CD-O 3.26Å; P204-F220 HydrophobicContact CB-CB 4.21Å; P204-F220 HydrophobicContact CG-CB 4.24Å; P204-F220 WeakPolarHBondContact O-CA 3.18Å; P204-F220 WeakPolarHBondContact O-CB 3.34Å; P204-I221 PolarHBondContact O-N 3.02Å |
| 205 | I | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 113 | 168.4 | -52.7 | 175.2 | 0 | 0 | 0 | 107.9 | V126 F177 R178 I179 V180 F181 I221 V223 L232 L236 | V126-I205 HydrophobicContact CG2-CD1 4Å; F177-I205 HydrophobicContact CB-CD1 3.79Å; F177-I205 HydrophobicContact CB-CG1 4.22Å; F177-I205 HydrophobicContact CD1-CD1 4.45Å; F177-I205 HydrophobicContact CG-CD1 4.28Å; R178-I205 PolarHBondContact O-N 3.15Å; I179-I205 HydrophobicContact CG1-CB 4.32Å; I179-I205 HydrophobicContact CG1-CD1 4.18Å; V180-I205 WeakPolarHBondContact CG2-O 3.32Å; V180-I205 PolarHBondContact N-O 2.96Å; F181-I205 WeakPolarHBondContact CD1-O 3.31Å; F181-I205 HydrophobicContact CE1-CG2 3.97Å; F181-I205 WeakPolarHBondContact CE1-O 3.46Å; F181-I205 HydrophobicContact CZ-CG2 4.33Å; I205-I221 CarbonylContact C-O 3.53Å; I205-I221 WeakPolarHBondContact CA-O 3.45Å; I205-I221 HydrophobicContact CG1-CB 4.48Å; I205-V223 HydrophobicContact CG2-CG1 4.1Å; I205-L232 HydrophobicContact CG2-CD2 4.15Å; I205-L236 HydrophobicContact CD1-CD1 3.67Å; I205-L236 HydrophobicContact CD1-CD2 3.97Å; I205-L236 HydrophobicContact CD1-CG 4.46Å |
| 206 | V | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 164.8 | -174.8 | -55 | 0 | 0 | 0 | 0 | 111.4 | V180 F194 P204 Y212 F220 I221 A222 V223 | V180-V206 HydrophobicContact CG2-CB 4.37Å; V180-V206 HydrophobicContact CG2-CG1 3.48Å; V180-V206 VanDerWaalsContact CG2-CG1 3.48Å; F194-V206 HydrophobicContact CD2-CG1 3.69Å; F194-V206 HydrophobicContact CE2-CG1 3.69Å; P204-V206 HydrophobicContact CB-CG1 4.5Å; V206-Y212 HydrophobicContact CB-CD2 3.82Å; V206-Y212 HydrophobicContact CB-CE1 4.36Å; V206-Y212 HydrophobicContact CB-CE2 3.38Å; V206-Y212 HydrophobicContact CG1-CD1 4Å; V206-Y212 HydrophobicContact CG1-CD2 3.91Å; V206-Y212 HydrophobicContact CG1-CE1 3.64Å; V206-Y212 HydrophobicContact CG1-CE2 3.59Å; V206-Y212 HydrophobicContact CG1-CG 4.13Å; V206-Y212 VanDerWaalsContact CG1-CZ 3.43Å; V206-Y212 HydrophobicContact CG2-CD2 3.64Å; V206-Y212 HydrophobicContact CG2-CE2 3.71Å; V206-Y212 HydrophobicContact CG2-CG 4.34Å; V206-F220 HydrophobicContact CG1-CD2 4.28Å; V206-F220 HydrophobicContact CG2-CD2 3.53Å; V206-F220 HydrophobicContact CG2-CE2 3.73Å; V206-I221 PolarHBondContact N-O 2.84Å; V206-A222 HydrophobicContact CG2-CB 3.67Å; V206-A222 CarbonylContact O-C 3.51Å; V206-A222 WeakPolarHBondContact O-CA 3.42Å; V206-V223 WeakPolarHBondContact O-CG1 3.3Å; V206-V223 PolarHBondContact O-N 2.87Å |
| 207 | L | 98.1 | Very high | 96.9 | Very high | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.026 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -77.7 | -49 | 178.3 | -69.7 | 175.4 | 0 | 0 | 0 | 113.4 | R139 F181 V185 V223 D224 F301 A302 | R139-L207 HydrophobicContact CB-CD1 4.43Å; F181-L207 HydrophobicContact CB-CD1 4.16Å; F181-L207 HydrophobicContact CB-CD2 4.31Å; F181-L207 HydrophobicContact CB-CG 4.03Å; F181-L207 HydrophobicContact CD1-CD2 3.58Å; F181-L207 HydrophobicContact CD1-CG 3.63Å; F181-L207 HydrophobicContact CD2-CD2 3.95Å; F181-L207 HydrophobicContact CE1-CD2 3.74Å; F181-L207 HydrophobicContact CE1-CG 4.2Å; F181-L207 HydrophobicContact CE2-CD2 4.08Å; F181-L207 HydrophobicContact CG-CD1 4.42Å; F181-L207 HydrophobicContact CG-CD2 3.68Å; F181-L207 HydrophobicContact CG-CG 3.83Å; F181-L207 HydrophobicContact CZ-CD2 4Å; V185-L207 HydrophobicContact CG2-CB 4.04Å; V185-L207 HydrophobicContact CG2-CD1 3.53Å; V185-L207 HydrophobicContact CG2-CG 4.45Å; L207-V223 HydrophobicContact CD2-CG2 3.99Å; L207-V223 VanDerWaalsContact O-CG2 3.31Å; L207-V223 WeakPolarHBondContact O-CG2 3.13Å; L207-D224 PolarHBondContact O-N 3.28Å; L207-F301 HydrophobicContact CB-CD1 4.19Å; L207-F301 HydrophobicContact CB-CE1 4.24Å; L207-F301 WeakPolarHBondContact O-CE1 3.18Å; L207-A302 HydrophobicContact CD1-CB 4.24Å; L207-A302 HydrophobicContact CD2-CB 3.59Å |
| 208 | Q | 97.3 | Very high | 96.8 | Very high | 17 Ų | 17 | 37.7 Ų | 37.7 | 8% | 0.079 | 22% | 0.219 | C | C | . | . | trans | -128.5 | 119.4 | -169.8 | -168.7 | -172.3 | 8.8 | 0 | 0 | 111.4 | V185 S210 T211 Y212 D224 F301 | V185-Q208 HydrophobicContact CG1-CB 4.02Å; Q208-S210 VanDerWaalsContact C-N 3.33Å; Q208-S210 VanDerWaalsContact CD-OG 3.24Å; Q208-S210 PolarHBondContact NE2-OG 3.11Å; Q208-S210 PolarHBondContact O-N 3.24Å; Q208-T211 PolarHBondContact O-N 3.24Å; Q208-T211 PolarHBondContact OE1-OG1 2.78Å; Q208-Y212 VanDerWaalsContact O-CD2 3.28Å; Q208-Y212 WeakPolarHBondContact O-CD2 3.29Å; Q208-D224 WeakPolarHBondContact CA-OD2 3.04Å; Q208-D224 VanDerWaalsContact CG-OD2 3.25Å; Q208-D224 WeakPolarHBondContact CG-OD2 3.28Å; Q208-F301 HydrophobicContact CB-CE1 4.07Å; Q208-F301 HydrophobicContact CB-CZ 3.87Å; Q208-F301 HydrophobicContact CG-CE1 4.49Å; Q208-F301 HydrophobicContact CG-CE2 4.23Å; Q208-F301 HydrophobicContact CG-CZ 3.8Å | ||
| 209 | R | 97.3 | Very high | 96.9 | Very high | 95 Ų | 95 | 37.7 Ų | 37.7 | 36% | 0.358 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -56.2 | -45.2 | -177.7 | 176.3 | 162.4 | -70.4 | -72.8 | -3 | 112.8 | T211 Y212 F220 A222 D224 D225 | R209-T211 PolarHBondContact O-N 2.79Å; R209-Y212 PolarHBondContact O-N 3.13Å; R209-F220 HydrophobicContact CG-CE2 4.48Å; R209-F220 HydrophobicContact CG-CZ 4.42Å; R209-A222 HydrophobicContact CB-CB 3.69Å; R209-D224 PolarHBondContact N-OD1 2.94Å; R209-D224 PolarHBondContact N-OD2 3.28Å; R209-D224 VanDerWaalsContact N-OD2 3.13Å; R209-D225 WeakPolarHBondContact CD-OD1 3.43Å; R209-D225 IonicContact CZ-OD1 3.66Å; R209-D225 IonicContact CZ-OD2 3.67Å; R209-D225 IonicContact NE-OD1 2.69Å; R209-D225 PolarHBondContact NE-OD1 3.2Å; R209-D225 IonicContact NE-OD2 3.61Å; R209-D225 PolarHBondContact NE-OD2 3.41Å; R209-D225 IonicContact NH2-OD2 2.62Å; R209-D225 PolarHBondContact NH2-OD2 3.33Å |
| 210 | S | 96.4 | Very high | 97 | Very high | 73 Ų | 73 | 34.6 Ų | 34.6 | 51% | 0.51 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -62.3 | -26.8 | -175.2 | 63.4 | 0 | 0 | 0 | 0 | 113.4 | Q208 Y212 A213 | Q208-S210 VanDerWaalsContact C-N 3.33Å; Q208-S210 VanDerWaalsContact CD-OG 3.24Å; Q208-S210 PolarHBondContact NE2-OG 3.11Å; Q208-S210 PolarHBondContact O-N 3.24Å; S210-Y212 PolarHBondContact O-N 2.89Å; S210-A213 PolarHBondContact O-N 3.33Å |
| 211 | T | 96.3 | Very high | 97.2 | Very high | 13 Ų | 13 | 32.9 Ų | 32.9 | 8% | 0.08 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -65.4 | -30.7 | 177.5 | -59 | 0 | 0 | 0 | 0 | 111.8 | Y189 I190 Q208 R209 | Y189-T211 WeakPolarHBondContact O-CG2 3.48Å; I190-T211 WeakPolarHBondContact CD1-O 3.38Å; I190-T211 HydrophobicContact CG1-CG2 4.17Å; Q208-T211 PolarHBondContact O-N 3.24Å; Q208-T211 PolarHBondContact OE1-OG1 2.78Å; R209-T211 PolarHBondContact O-N 2.79Å |
| 212 | Y | 96.9 | Very high | 97.3 | Very high | 6 Ų | 6 | 30.8 Ų | 30.8 | 2% | 0.024 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -105 | 25.2 | -175 | -57.8 | -98.1 | 0 | 0 | 0 | 112.4 | I190 F194 V206 Q208 R209 S210 S214 A215 | I190-Y212 HydrophobicContact CB-CE1 4.3Å; I190-Y212 HydrophobicContact CD1-CD1 3.82Å; I190-Y212 HydrophobicContact CD1-CE1 4.34Å; I190-Y212 HydrophobicContact CD1-CG 4.32Å; I190-Y212 HydrophobicContact CG1-CD1 3.86Å; I190-Y212 HydrophobicContact CG1-CE1 3.87Å; I190-Y212 HydrophobicContact CG1-CG 4.48Å; I190-Y212 HydrophobicContact CG2-CD1 4.09Å; I190-Y212 HydrophobicContact CG2-CE1 3.8Å; F194-Y212 HydrophobicContact CB-CE1 3.91Å; F194-Y212 AromaticContact CD1-CD1 3.94Å; F194-Y212 HydrophobicContact CD1-CD1 3.94Å; F194-Y212 HydrophobicContact CD1-CE1 4.15Å; F194-Y212 AromaticContact CD2-CD1 3.46Å; F194-Y212 HydrophobicContact CD2-CD1 3.46Å; F194-Y212 VanDerWaalsContact CD2-CD1 3.46Å; F194-Y212 AromaticContact CD2-CE1 3.3Å; F194-Y212 HydrophobicContact CD2-CE1 3.3Å; F194-Y212 AromaticContact CE1-CD1 3.91Å; F194-Y212 HydrophobicContact CE1-CD1 3.91Å; F194-Y212 AromaticContact CE2-CD1 3.45Å; F194-Y212 HydrophobicContact CE2-CD1 3.45Å; F194-Y212 VanDerWaalsContact CE2-CD1 3.45Å; F194-Y212 AromaticContact CE2-CE1 3.79Å; F194-Y212 HydrophobicContact CE2-CE1 3.79Å; F194-Y212 HydrophobicContact CE2-CG 4.25Å; F194-Y212 AromaticContact CG-CD1 3.72Å; F194-Y212 HydrophobicContact CG-CD1 3.72Å; F194-Y212 AromaticContact CG-CE1 3.52Å; F194-Y212 HydrophobicContact CG-CE1 3.52Å; F194-Y212 AromaticContact CZ-CD1 3.69Å; F194-Y212 HydrophobicContact CZ-CD1 3.69Å; F194-Y212 HydrophobicContact CZ-CE1 4.39Å; F194-Y212 HydrophobicContact CZ-CG 4.44Å; V206-Y212 HydrophobicContact CB-CD2 3.82Å; V206-Y212 HydrophobicContact CB-CE1 4.36Å; V206-Y212 HydrophobicContact CB-CE2 3.38Å; V206-Y212 HydrophobicContact CG1-CD1 4Å; V206-Y212 HydrophobicContact CG1-CD2 3.91Å; V206-Y212 HydrophobicContact CG1-CE1 3.64Å; V206-Y212 HydrophobicContact CG1-CE2 3.59Å; V206-Y212 HydrophobicContact CG1-CG 4.13Å; V206-Y212 VanDerWaalsContact CG1-CZ 3.43Å; V206-Y212 HydrophobicContact CG2-CD2 3.64Å; V206-Y212 HydrophobicContact CG2-CE2 3.71Å; V206-Y212 HydrophobicContact CG2-CG 4.34Å; Q208-Y212 VanDerWaalsContact O-CD2 3.28Å; Q208-Y212 WeakPolarHBondContact O-CD2 3.29Å; R209-Y212 PolarHBondContact O-N 3.13Å; S210-Y212 PolarHBondContact O-N 2.89Å; Y212-S214 PolarHBondContact O-N 3.38Å; Y212-S214 VanDerWaalsContact O-N 3.1Å; Y212-A215 VanDerWaalsContact O-CB 3.28Å; Y212-A215 WeakPolarHBondContact O-CB 3.35Å; Y212-A215 PolarHBondContact O-N 3.25Å |
| 213 | A | 95.3 | Very high | 97.3 | Very high | 87 Ų | 87 | 30.7 Ų | 30.7 | 72% | 0.719 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -22.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | S210 | S210-A213 PolarHBondContact O-N 3.33Š|
| 214 | S | 94.4 | Very high | 97.2 | Very high | 83 Ų | 83 | 32.7 Ų | 32.7 | 58% | 0.58 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -11.3 | 175.8 | 59.5 | 0 | 0 | 0 | 0 | 114.2 | F101 Y212 | F101-S214 WeakPolarHBondContact CD2-O 3.24Å; Y212-S214 PolarHBondContact O-N 3.38Å; Y212-S214 VanDerWaalsContact O-N 3.1Å |
| 215 | A | 97.2 | Very high | 97.2 | Very high | 11 Ų | 11 | 36.5 Ų | 36.5 | 9% | 0.091 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -72.8 | 155.4 | -180 | 0 | 0 | 0 | 0 | 0 | 111.5 | F101 F194 Y212 Q217 F220 | F101-A215 VanDerWaalsContact CE2-CA 3.5Å; F101-A215 HydrophobicContact CE2-CB 4.04Å; F101-A215 HydrophobicContact CZ-CB 3.99Å; F194-A215 HydrophobicContact CE1-CB 3.7Å; F194-A215 HydrophobicContact CZ-CB 3.67Å; Y212-A215 VanDerWaalsContact O-CB 3.28Å; Y212-A215 WeakPolarHBondContact O-CB 3.35Å; Y212-A215 PolarHBondContact O-N 3.25Å; A215-Q217 PolarHBondContact O-N 2.61Å; A215-F220 HydrophobicContact CB-CD1 4.05Å; A215-F220 HydrophobicContact CB-CE1 3.89Å |
| 216 | P | 96.8 | Very high | 97.2 | Very high | 15 Ų | 15 | 38.2 Ų | 38.2 | 10% | 0.097 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -57.7 | 137.4 | 178.5 | -23.1 | 33.3 | 0 | 0 | 0 | 111.5 | F101 G218 S219 W252 T256 | F101-P216 HydrophobicContact CD1-CG 4Å; F101-P216 HydrophobicContact CE1-CG 4.35Å; F101-P216 HydrophobicContact CG-CG 4.42Å; P216-G218 PolarHBondContact O-N 3.21Å; P216-S219 WeakPolarHBondContact O-CB 3.4Å; P216-S219 PolarHBondContact O-N 3.47Å; P216-S219 VanDerWaalsContact O-N 3.09Å; P216-S219 PolarHBondContact O-OG 3.11Å; P216-W252 HydrophobicContact CB-CB 3.45Å; P216-W252 VanDerWaalsContact CB-CB 3.45Å; P216-W252 HydrophobicContact CB-CD2 4.26Å; P216-W252 HydrophobicContact CB-CE3 4.43Å; P216-W252 HydrophobicContact CB-CG 3.88Å; P216-W252 HydrophobicContact CG-CB 4.33Å; P216-W252 HydrophobicContact CG-CD2 4.3Å; P216-W252 HydrophobicContact CG-CE3 4.08Å; P216-W252 HydrophobicContact CG-CG 4.42Å; P216-T256 HydrophobicContact CG-CG2 3.85Å |
| 217 | Q | 94.5 | Very high | 97.1 | Very high | 192 Ų | 192 | 49 Ų | 49 | 90% | 0.897 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 134.5 | -178.8 | -170.2 | 178.9 | 12.6 | 0 | 0 | 111.1 | A215 S219 | A215-Q217 PolarHBondContact O-N 2.61Å; Q217-S219 VanDerWaalsContact C-N 3.25Å; Q217-S219 PolarHBondContact O-N 3.14Å |
| 218 | G | 96.4 | Very high | 97 | Very high | 35 Ų | 35 | 50.3 Ų | 50.3 | 36% | 0.361 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 15.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | P216 Y249 | P216-G218 PolarHBondContact O-N 3.21Å; G218-Y249 VanDerWaalsContact O-CA 3.25Å; G218-Y249 WeakPolarHBondContact O-CA 3.36Å; G218-Y249 WeakPolarHBondContact O-CD1 3.43Å |
| 219 | S | 98.1 | Very high | 97.1 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.007 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -85.9 | -12.3 | 178.9 | 61.9 | 0 | 0 | 0 | 0 | 114.9 | P204 P216 Q217 | P204-S219 WeakPolarHBondContact CD-O 3.26Å; P216-S219 WeakPolarHBondContact O-CB 3.4Å; P216-S219 PolarHBondContact O-N 3.47Å; P216-S219 VanDerWaalsContact O-N 3.09Å; P216-S219 PolarHBondContact O-OG 3.11Å; Q217-S219 VanDerWaalsContact C-N 3.25Å; Q217-S219 PolarHBondContact O-N 3.14Å |
| 220 | F | 98.7 | Very high | 97.1 | Very high | 9 Ų | 9 | 51.3 Ų | 51.3 | 4% | 0.039 | 28% | 0.276 | C | S | . | . | trans | -151.1 | 164.4 | -173 | 70.5 | -87.6 | 0 | 0 | 0 | 112.7 | F194 P204 V206 R209 A215 A222 | F194-F220 HydrophobicContact CE2-CB 3.85Å; F194-F220 HydrophobicContact CE2-CD1 4.31Å; F194-F220 HydrophobicContact CE2-CG 4.08Å; F194-F220 HydrophobicContact CZ-CB 4.19Å; F194-F220 AromaticContact CZ-CD1 3.98Å; F194-F220 HydrophobicContact CZ-CD1 3.98Å; F194-F220 HydrophobicContact CZ-CG 4.21Å; P204-F220 HydrophobicContact CB-CB 4.21Å; P204-F220 HydrophobicContact CG-CB 4.24Å; P204-F220 WeakPolarHBondContact O-CA 3.18Å; P204-F220 WeakPolarHBondContact O-CB 3.34Å; V206-F220 HydrophobicContact CG1-CD2 4.28Å; V206-F220 HydrophobicContact CG2-CD2 3.53Å; V206-F220 HydrophobicContact CG2-CE2 3.73Å; R209-F220 HydrophobicContact CG-CE2 4.48Å; R209-F220 HydrophobicContact CG-CZ 4.42Å; A215-F220 HydrophobicContact CB-CD1 4.05Å; A215-F220 HydrophobicContact CB-CE1 3.89Å; F220-A222 HydrophobicContact CE2-CB 4.16Å | ||
| 221 | I | 98.8 | Very high | 97.2 | Very high | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 135.6 | 175.5 | -60.5 | 172 | 0 | 0 | 0 | 108.1 | F177 V203 P204 I205 V206 F226 L232 Y235 L236 L239 Y249 | F177-I221 HydrophobicContact CD1-CD1 4.02Å; F177-I221 HydrophobicContact CE1-CD1 3.71Å; V203-I221 HydrophobicContact CG1-CD1 4.08Å; V203-I221 HydrophobicContact CG1-CG1 4.07Å; P204-I221 PolarHBondContact O-N 3.02Å; I205-I221 CarbonylContact C-O 3.53Å; I205-I221 WeakPolarHBondContact CA-O 3.45Å; I205-I221 HydrophobicContact CG1-CB 4.48Å; V206-I221 PolarHBondContact N-O 2.84Å; I221-F226 HydrophobicContact CG2-CE2 3.57Å; I221-F226 HydrophobicContact CG2-CZ 3.97Å; I221-L232 HydrophobicContact CG2-CD1 3.76Å; I221-Y235 HydrophobicContact CD1-CD1 4.31Å; I221-Y235 HydrophobicContact CD1-CE1 3.93Å; I221-Y235 HydrophobicContact CG1-CE1 4.31Å; I221-L236 HydrophobicContact CD1-CD2 3.74Å; I221-L239 HydrophobicContact CD1-CD1 3.78Å; I221-Y249 HydrophobicContact CD1-CE1 4.23Å; I221-Y249 HydrophobicContact CG1-CD1 4.43Å; I221-Y249 HydrophobicContact CG1-CE1 3.52Å; I221-Y249 WeakPolarHBondContact CG1-OH 3.47Å |
| 222 | A | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 138.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | V206 R209 F220 D224 D225 F226 | V206-A222 HydrophobicContact CG2-CB 3.67Å; V206-A222 CarbonylContact O-C 3.51Å; V206-A222 WeakPolarHBondContact O-CA 3.42Å; R209-A222 HydrophobicContact CB-CB 3.69Å; F220-A222 HydrophobicContact CE2-CB 4.16Å; A222-D224 VanDerWaalsContact C-N 3.26Å; A222-D224 WeakPolarHBondContact CB-OD1 3.03Å; A222-D224 PolarHBondContact O-N 2.98Å; A222-D225 WeakPolarHBondContact O-CB 3.27Å; A222-D225 PolarHBondContact O-N 3.28Å; A222-F226 VanDerWaalsContact O-CD2 3.23Å; A222-F226 WeakPolarHBondContact O-CD2 3.48Å; A222-F226 VanDerWaalsContact O-CE2 3.26Å; A222-F226 WeakPolarHBondContact O-CE2 3.42Å |
| 223 | V | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -69.8 | -26.5 | -177.6 | -48.3 | 0 | 0 | 0 | 0 | 112.8 | Y142 F181 I205 V206 L207 D225 F226 L232 | Y142-V223 HydrophobicContact CD1-CG1 4.5Å; Y142-V223 HydrophobicContact CE1-CB 4.32Å; Y142-V223 HydrophobicContact CE1-CG1 3.78Å; Y142-V223 HydrophobicContact CE2-CB 3.93Å; Y142-V223 HydrophobicContact CE2-CG1 4.28Å; Y142-V223 HydrophobicContact CE2-CG2 4.03Å; F181-V223 HydrophobicContact CE1-CG1 3.63Å; F181-V223 HydrophobicContact CZ-CG1 3.56Å; I205-V223 HydrophobicContact CG2-CG1 4.1Å; V206-V223 WeakPolarHBondContact O-CG1 3.3Å; V206-V223 PolarHBondContact O-N 2.87Å; L207-V223 HydrophobicContact CD2-CG2 3.99Å; L207-V223 VanDerWaalsContact O-CG2 3.31Å; L207-V223 WeakPolarHBondContact O-CG2 3.13Å; V223-D225 PolarHBondContact O-N 2.87Å; V223-F226 PolarHBondContact O-N 3.18Å; V223-F226 VanDerWaalsContact O-N 3.1Å; V223-L232 HydrophobicContact CG1-CD2 3.96Å |
| 224 | D | 97.2 | Very high | 97.6 | Very high | 42 Ų | 42 | 50.1 Ų | 50.1 | 23% | 0.225 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -73.4 | -2.8 | 177.3 | 65 | -24.1 | 0 | 0 | 0 | 114.2 | L207 Q208 R209 A222 F226 F301 Y305 | L207-D224 PolarHBondContact O-N 3.28Å; Q208-D224 WeakPolarHBondContact CA-OD2 3.04Å; Q208-D224 VanDerWaalsContact CG-OD2 3.25Å; Q208-D224 WeakPolarHBondContact CG-OD2 3.28Å; R209-D224 PolarHBondContact N-OD1 2.94Å; R209-D224 PolarHBondContact N-OD2 3.28Å; R209-D224 VanDerWaalsContact N-OD2 3.13Å; A222-D224 VanDerWaalsContact C-N 3.26Å; A222-D224 WeakPolarHBondContact CB-OD1 3.03Å; A222-D224 PolarHBondContact O-N 2.98Å; D224-F226 VanDerWaalsContact C-N 3.3Å; D224-F301 HydrophobicContact CB-CE1 4.34Å; D224-F301 HydrophobicContact CB-CZ 3.96Å; D224-Y305 HydrophobicContact CB-CE1 3.93Å; D224-Y305 HydrophobicContact CB-CE2 4.15Å |
| 225 | D | 97.7 | Very high | 97.8 | Very high | 80 Ų | 80 | 49.4 Ų | 49.4 | 43% | 0.428 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -81.7 | -9.2 | 167.3 | -58.8 | -39.7 | 0 | 0 | 0 | 112.9 | R209 A222 V223 | R209-D225 WeakPolarHBondContact CD-OD1 3.43Å; R209-D225 IonicContact CZ-OD1 3.66Å; R209-D225 IonicContact CZ-OD2 3.67Å; R209-D225 IonicContact NE-OD1 2.69Å; R209-D225 PolarHBondContact NE-OD1 3.2Å; R209-D225 IonicContact NE-OD2 3.61Å; R209-D225 PolarHBondContact NE-OD2 3.41Å; R209-D225 IonicContact NH2-OD2 2.62Å; R209-D225 PolarHBondContact NH2-OD2 3.33Å; A222-D225 WeakPolarHBondContact O-CB 3.27Å; A222-D225 PolarHBondContact O-N 3.28Å; V223-D225 PolarHBondContact O-N 2.87Å |
| 226 | F | 98.2 | Very high | 97.9 | Very high | 36 Ų | 36 | 48.9 Ų | 48.9 | 16% | 0.158 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -116.1 | 150.2 | -173.9 | -60.4 | -88.6 | 0 | 0 | 0 | 110.8 | I221 A222 V223 D224 S228 D231 L232 Y235 | I221-F226 HydrophobicContact CG2-CE2 3.57Å; I221-F226 HydrophobicContact CG2-CZ 3.97Å; A222-F226 VanDerWaalsContact O-CD2 3.23Å; A222-F226 WeakPolarHBondContact O-CD2 3.48Å; A222-F226 VanDerWaalsContact O-CE2 3.26Å; A222-F226 WeakPolarHBondContact O-CE2 3.42Å; V223-F226 PolarHBondContact O-N 3.18Å; V223-F226 VanDerWaalsContact O-N 3.1Å; D224-F226 VanDerWaalsContact C-N 3.3Å; F226-S228 VanDerWaalsContact C-N 3.33Å; F226-D231 HydrophobicContact CB-CB 4.08Å; F226-D231 HydrophobicContact CD1-CB 4.02Å; F226-L232 HydrophobicContact CB-CB 4.44Å; F226-L232 HydrophobicContact CD1-CB 4.34Å; F226-L232 HydrophobicContact CD2-CB 4.23Å; F226-L232 HydrophobicContact CD2-CD1 3.97Å; F226-L232 HydrophobicContact CE1-CD1 4.47Å; F226-L232 HydrophobicContact CE2-CD1 3.66Å; F226-L232 HydrophobicContact CG-CB 4.06Å; F226-L232 HydrophobicContact CZ-CD1 3.93Å; F226-Y235 AromaticContact CE1-CD1 3.83Å; F226-Y235 HydrophobicContact CE1-CD1 3.83Å; F226-Y235 AromaticContact CE1-CG 3.73Å; F226-Y235 HydrophobicContact CE1-CG 3.73Å; F226-Y235 AromaticContact CZ-CD1 3.46Å; F226-Y235 HydrophobicContact CZ-CD1 3.46Å; F226-Y235 VanDerWaalsContact CZ-CD1 3.46Å; F226-Y235 HydrophobicContact CZ-CE1 4.07Å; F226-Y235 AromaticContact CZ-CG 3.87Å; F226-Y235 HydrophobicContact CZ-CG 3.87Å |
| 227 | R | 96.6 | Very high | 97.9 | Very high | 228 Ų | 228 | 51.6 Ų | 51.6 | 86% | 0.86 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -76.7 | -25 | 179.5 | -50.5 | 175.5 | -179.4 | 173.5 | 0.8 | 112.1 | D231 | R227-D231 VanDerWaalsContact CB-OD2 3.22Å; R227-D231 WeakPolarHBondContact CB-OD2 3.32Å; R227-D231 PolarHBondContact N-OD2 3.09Å |
| 228 | S | 97 | Very high | 98.1 | Very high | 31 Ų | 31 | 47 Ų | 47 | 22% | 0.217 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -156.2 | 165.4 | -177 | 76.8 | 0 | 0 | 0 | 0 | 112.4 | F226 R230 D231 L232 Y305 | F226-S228 VanDerWaalsContact C-N 3.33Å; S228-R230 PolarHBondContact O-N 3.42Å; S228-R230 WeakPolarHBondContact OG-CB 3.18Å; S228-R230 PolarHBondContact OG-N 3.09Å; S228-D231 PolarHBondContact O-N 3.3Å; S228-D231 PolarHBondContact OG-N 3.28Å; S228-D231 PolarHBondContact OG-OD1 3.24Å; S228-L232 PolarHBondContact O-N 2.8Å; S228-Y305 CarbonylContact C-O 3.56Å |
| 229 | A | 98.1 | Very high | 98.2 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.1 | -25.6 | 170 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y142 A145 L146 Y149 A233 Y305 | Y142-A229 HydrophobicContact CE1-CB 4.35Å; Y142-A229 HydrophobicContact CE2-CB 4.24Å; A145-A229 HydrophobicContact CB-CB 4Å; L146-A229 HydrophobicContact CB-CB 4.4Å; L146-A229 HydrophobicContact CD1-CB 4.5Å; L146-A229 WeakPolarHBondContact CD1-O 3.45Å; Y149-A229 HydrophobicContact CE2-CB 4.42Å; A229-A233 WeakPolarHBondContact O-CB 3.15Å; A229-A233 PolarHBondContact O-N 2.79Å; A229-Y305 PolarHBondContact N-O 3.31Å |
| 230 | R | 98.2 | Very high | 98.2 | Very high | 133 Ų | 133 | 48.6 Ų | 48.6 | 50% | 0.502 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -68.5 | -47 | 174.8 | -177.2 | -179 | 173.2 | 161.3 | 2.1 | 111.3 | Y149 S228 L232 A233 E234 | Y149-R230 HydrophobicContact CD1-CB 4.17Å; Y149-R230 HydrophobicContact CD1-CG 3.96Å; Y149-R230 HydrophobicContact CD2-CB 4.03Å; Y149-R230 HydrophobicContact CE1-CB 3.92Å; Y149-R230 HydrophobicContact CE1-CG 3.9Å; Y149-R230 HydrophobicContact CE2-CB 3.77Å; Y149-R230 HydrophobicContact CG-CB 4.22Å; Y149-R230 HydrophobicContact CG-CG 4.33Å; S228-R230 PolarHBondContact O-N 3.42Å; S228-R230 WeakPolarHBondContact OG-CB 3.18Å; S228-R230 PolarHBondContact OG-N 3.09Å; R230-L232 VanDerWaalsContact C-N 3.27Å; R230-L232 PolarHBondContact O-N 2.99Å; R230-A233 WeakPolarHBondContact O-CA 3.29Å; R230-A233 WeakPolarHBondContact O-CB 3.34Å; R230-A233 PolarHBondContact O-N 3.12Å; R230-E234 IonicContact CZ-OE1 3.07Å; R230-E234 IonicContact NE-OE1 3.45Å; R230-E234 PolarHBondContact NE-OE1 3.46Å; R230-E234 IonicContact NH2-OE1 3.21Å; R230-E234 WeakPolarHBondContact O-CG 3.41Å; R230-E234 PolarHBondContact O-N 2.82Å |
| 231 | D | 98.4 | Very high | 98.1 | Very high | 52 Ų | 52 | 52.5 Ų | 52.5 | 28% | 0.278 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.3 | -41.6 | 179.3 | -60.3 | 19 | 0 | 0 | 0 | 110.4 | F226 R227 S228 E234 Y235 | F226-D231 HydrophobicContact CB-CB 4.08Å; F226-D231 HydrophobicContact CD1-CB 4.02Å; R227-D231 VanDerWaalsContact CB-OD2 3.22Å; R227-D231 WeakPolarHBondContact CB-OD2 3.32Å; R227-D231 PolarHBondContact N-OD2 3.09Å; S228-D231 PolarHBondContact O-N 3.3Å; S228-D231 PolarHBondContact OG-N 3.28Å; S228-D231 PolarHBondContact OG-OD1 3.24Å; D231-E234 PolarHBondContact O-N 3.24Å; D231-Y235 WeakPolarHBondContact O-CB 3.48Å; D231-Y235 PolarHBondContact O-N 3.46Å |
| 232 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.4 | -46.4 | 173.1 | 176.1 | 63.6 | 0 | 0 | 0 | 111.1 | Y142 L146 I205 I221 V223 F226 S228 R230 E234 Y235 L236 | Y142-L232 HydrophobicContact CE1-CD2 3.85Å; Y142-L232 WeakPolarHBondContact OH-CD2 3.41Å; L146-L232 HydrophobicContact CD1-CD2 4.18Å; L146-L232 HydrophobicContact CD1-CG 4.39Å; L146-L232 HydrophobicContact CD2-CD2 4.39Å; I205-L232 HydrophobicContact CG2-CD2 4.15Å; I221-L232 HydrophobicContact CG2-CD1 3.76Å; V223-L232 HydrophobicContact CG1-CD2 3.96Å; F226-L232 HydrophobicContact CB-CB 4.44Å; F226-L232 HydrophobicContact CD1-CB 4.34Å; F226-L232 HydrophobicContact CD2-CB 4.23Å; F226-L232 HydrophobicContact CD2-CD1 3.97Å; F226-L232 HydrophobicContact CE1-CD1 4.47Å; F226-L232 HydrophobicContact CE2-CD1 3.66Å; F226-L232 HydrophobicContact CG-CB 4.06Å; F226-L232 HydrophobicContact CZ-CD1 3.93Å; S228-L232 PolarHBondContact O-N 2.8Å; R230-L232 VanDerWaalsContact C-N 3.27Å; R230-L232 PolarHBondContact O-N 2.99Å; L232-E234 PolarHBondContact O-N 3.14Å; L232-Y235 PolarHBondContact O-N 3.29Å; L232-L236 HydrophobicContact CD1-CD1 4.37Å; L232-L236 HydrophobicContact CD1-CD2 4.28Å; L232-L236 HydrophobicContact CD1-CG 4.09Å; L232-L236 HydrophobicContact CG-CD1 4.24Å; L232-L236 HydrophobicContact CG-CG 4.31Å; L232-L236 VanDerWaalsContact O-CG 3.32Å; L232-L236 WeakPolarHBondContact O-CG 3.05Å; L232-L236 PolarHBondContact O-N 3.22Å |
| 233 | A | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.008 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.4 | -44 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L146 Y149 I150 A229 R230 Y235 L236 N237 | L146-A233 HydrophobicContact CD1-CB 4.05Å; Y149-A233 HydrophobicContact CG-CB 4.29Å; I150-A233 HydrophobicContact CD1-CB 4.35Å; I150-A233 HydrophobicContact CG1-CB 4.16Å; I150-A233 HydrophobicContact CG2-CB 3.78Å; A229-A233 WeakPolarHBondContact O-CB 3.15Å; A229-A233 PolarHBondContact O-N 2.79Å; R230-A233 WeakPolarHBondContact O-CA 3.29Å; R230-A233 WeakPolarHBondContact O-CB 3.34Å; R230-A233 PolarHBondContact O-N 3.12Å; A233-Y235 VanDerWaalsContact C-N 3.32Å; A233-Y235 PolarHBondContact O-N 2.91Å; A233-L236 PolarHBondContact O-N 3.36Å; A233-N237 PolarHBondContact O-N 2.6Å; A233-N237 PolarHBondContact O-ND2 2.75Å |
| 234 | E | 98.7 | Very high | 98 | Very high | 102 Ų | 102 | 63.8 Ų | 63.8 | 48% | 0.477 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61 | -42.4 | 175.1 | -71.5 | 175.1 | -173.8 | 0 | 0 | 110.9 | R230 D231 L232 N237 F238 | R230-E234 IonicContact CZ-OE1 3.07Å; R230-E234 IonicContact NE-OE1 3.45Å; R230-E234 PolarHBondContact NE-OE1 3.46Å; R230-E234 IonicContact NH2-OE1 3.21Å; R230-E234 WeakPolarHBondContact O-CG 3.41Å; R230-E234 PolarHBondContact O-N 2.82Å; D231-E234 PolarHBondContact O-N 3.24Å; L232-E234 PolarHBondContact O-N 3.14Å; E234-N237 PolarHBondContact O-N 3.27Å; E234-F238 PolarHBondContact O-N 3.38Å |
| 235 | Y | 98.7 | Very high | 98 | Very high | 68 Ų | 68 | 64.4 Ų | 64.4 | 27% | 0.267 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65 | -42.1 | 175.8 | -174.6 | -114 | 0 | 0 | 0 | 113.3 | I221 F226 D231 L232 A233 N237 F238 L239 Y249 | I221-Y235 HydrophobicContact CD1-CD1 4.31Å; I221-Y235 HydrophobicContact CD1-CE1 3.93Å; I221-Y235 HydrophobicContact CG1-CE1 4.31Å; F226-Y235 AromaticContact CE1-CD1 3.83Å; F226-Y235 HydrophobicContact CE1-CD1 3.83Å; F226-Y235 AromaticContact CE1-CG 3.73Å; F226-Y235 HydrophobicContact CE1-CG 3.73Å; F226-Y235 AromaticContact CZ-CD1 3.46Å; F226-Y235 HydrophobicContact CZ-CD1 3.46Å; F226-Y235 VanDerWaalsContact CZ-CD1 3.46Å; F226-Y235 HydrophobicContact CZ-CE1 4.07Å; F226-Y235 AromaticContact CZ-CG 3.87Å; F226-Y235 HydrophobicContact CZ-CG 3.87Å; D231-Y235 WeakPolarHBondContact O-CB 3.48Å; D231-Y235 PolarHBondContact O-N 3.46Å; L232-Y235 PolarHBondContact O-N 3.29Å; A233-Y235 VanDerWaalsContact C-N 3.32Å; A233-Y235 PolarHBondContact O-N 2.91Å; Y235-N237 VanDerWaalsContact C-N 3.31Å; Y235-N237 PolarHBondContact O-N 3.08Å; Y235-F238 HydrophobicContact CD2-CD1 4.22Å; Y235-F238 HydrophobicContact CE2-CD1 4.14Å; Y235-F238 WeakPolarHBondContact O-CB 3.12Å; Y235-F238 PolarHBondContact O-N 2.88Å; Y235-L239 HydrophobicContact CD1-CD1 4.04Å; Y235-L239 HydrophobicContact CD1-CG 4.49Å; Y235-L239 HydrophobicContact CE1-CD1 3.54Å; Y235-L239 HydrophobicContact CE1-CG 4.13Å; Y235-L239 HydrophobicContact CE2-CD2 4.38Å; Y235-L239 HydrophobicContact CE2-CG 4.37Å; Y235-L239 WeakPolarHBondContact O-CG 3.01Å; Y235-L239 PolarHBondContact O-N 2.82Å; Y235-Y249 WeakPolarHBondContact CE1-OH 3.34Å; Y235-Y249 PolarHBondContact OH-OH 3.08Å |
| 236 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.4 | -37.1 | 175.9 | -65.2 | -177.2 | 0 | 0 | 0 | 111.8 | L125 I150 F177 I205 I221 L232 A233 L239 N240 | L125-L236 HydrophobicContact CD1-CB 4.49Å; I150-L236 HydrophobicContact CD1-CD1 3.62Å; F177-L236 HydrophobicContact CD1-CD2 3.8Å; F177-L236 HydrophobicContact CD2-CD2 4.06Å; F177-L236 HydrophobicContact CE1-CD2 3.78Å; F177-L236 HydrophobicContact CE2-CB 4.47Å; F177-L236 HydrophobicContact CE2-CD2 4.01Å; F177-L236 HydrophobicContact CG-CD2 3.99Å; F177-L236 HydrophobicContact CZ-CD2 3.9Å; I205-L236 HydrophobicContact CD1-CD1 3.67Å; I205-L236 HydrophobicContact CD1-CD2 3.97Å; I205-L236 HydrophobicContact CD1-CG 4.46Å; I221-L236 HydrophobicContact CD1-CD2 3.74Å; L232-L236 HydrophobicContact CD1-CD1 4.37Å; L232-L236 HydrophobicContact CD1-CD2 4.28Å; L232-L236 HydrophobicContact CD1-CG 4.09Å; L232-L236 HydrophobicContact CG-CD1 4.24Å; L232-L236 HydrophobicContact CG-CG 4.31Å; L232-L236 VanDerWaalsContact O-CG 3.32Å; L232-L236 WeakPolarHBondContact O-CG 3.05Å; L232-L236 PolarHBondContact O-N 3.22Å; A233-L236 PolarHBondContact O-N 3.36Å; L236-L239 PolarHBondContact O-N 2.9Å; L236-N240 WeakPolarHBondContact O-CB 3.45Å; L236-N240 PolarHBondContact O-N 3.29Å |
| 237 | N | 98.5 | Very high | 98 | Very high | 71 Ų | 71 | 60.5 Ų | 60.5 | 38% | 0.38 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.9 | -40.5 | 173.7 | -76.4 | -30.4 | 0 | 0 | 0 | 112.1 | A233 E234 Y235 N240 A241 | A233-N237 PolarHBondContact O-N 2.6Å; A233-N237 PolarHBondContact O-ND2 2.75Å; E234-N237 PolarHBondContact O-N 3.27Å; Y235-N237 VanDerWaalsContact C-N 3.31Å; Y235-N237 PolarHBondContact O-N 3.08Å; N237-N240 WeakPolarHBondContact O-CB 3.34Å; N237-N240 PolarHBondContact O-N 3.4Å; N237-A241 PolarHBondContact O-N 2.76Å |
| 238 | F | 98.6 | Very high | 98 | Very high | 97 Ų | 97 | 53.5 Ų | 53.5 | 43% | 0.425 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -57.5 | -49.3 | 172.4 | 166.4 | -101.5 | 0 | 0 | 0 | 111.6 | E234 Y235 N240 A241 N242 E245 | E234-F238 PolarHBondContact O-N 3.38Å; Y235-F238 HydrophobicContact CD2-CD1 4.22Å; Y235-F238 HydrophobicContact CE2-CD1 4.14Å; Y235-F238 WeakPolarHBondContact O-CB 3.12Å; Y235-F238 PolarHBondContact O-N 2.88Å; F238-N240 VanDerWaalsContact C-N 3.29Å; F238-N240 PolarHBondContact O-N 3.2Å; F238-A241 PolarHBondContact O-N 3.31Å; F238-N242 HydrophobicContact CE2-CB 4.39Å; F238-N242 HydrophobicContact CZ-CB 4.45Å; F238-N242 WeakPolarHBondContact O-CB 3.22Å; F238-N242 PolarHBondContact O-N 3.18Å; F238-E245 HydrophobicContact CE1-CB 3.98Å; F238-E245 HydrophobicContact CE1-CG 3.84Å; F238-E245 HydrophobicContact CZ-CB 4.36Å; F238-E245 HydrophobicContact CZ-CG 3.75Å |
| 239 | L | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.6 | -33.6 | 176.3 | -65.9 | -180 | 0 | 0 | 0 | 112.5 | F177 I221 Y235 L236 A241 N242 E245 Y246 Y249 | F177-L239 HydrophobicContact CE1-CD1 3.79Å; F177-L239 HydrophobicContact CZ-CB 3.76Å; F177-L239 HydrophobicContact CZ-CD1 3.69Å; F177-L239 HydrophobicContact CZ-CG 4.41Å; I221-L239 HydrophobicContact CD1-CD1 3.78Å; Y235-L239 HydrophobicContact CD1-CD1 4.04Å; Y235-L239 HydrophobicContact CD1-CG 4.49Å; Y235-L239 HydrophobicContact CE1-CD1 3.54Å; Y235-L239 HydrophobicContact CE1-CG 4.13Å; Y235-L239 HydrophobicContact CE2-CD2 4.38Å; Y235-L239 HydrophobicContact CE2-CG 4.37Å; Y235-L239 WeakPolarHBondContact O-CG 3.01Å; Y235-L239 PolarHBondContact O-N 2.82Å; L236-L239 PolarHBondContact O-N 2.9Å; L239-A241 VanDerWaalsContact C-N 3.33Å; L239-N242 CarbonylContact O-C 3.57Å; L239-N242 PolarHBondContact O-N 3.34Å; L239-E245 HydrophobicContact CD2-CB 3.78Å; L239-Y246 WeakPolarHBondContact O-CB 3.28Å; L239-Y249 HydrophobicContact CD1-CD2 4.33Å; L239-Y249 HydrophobicContact CD1-CE2 3.62Å; L239-Y249 HydrophobicContact CD2-CE2 4.01Å; L239-Y249 HydrophobicContact CG-CE2 4.5Å |
| 240 | N | 97.6 | Very high | 98 | Very high | 68 Ų | 68 | 53.5 Ų | 53.5 | 36% | 0.364 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.7 | -38.9 | 175.7 | -172.6 | 52.8 | 0 | 0 | 0 | 112 | L125 K176 L236 N237 F238 | L125-N240 HydrophobicContact CD1-CB 3.74Å; K176-N240 WeakPolarHBondContact CD-OD1 3.41Å; K176-N240 WeakPolarHBondContact CE-OD1 3.4Å; L236-N240 WeakPolarHBondContact O-CB 3.45Å; L236-N240 PolarHBondContact O-N 3.29Å; N237-N240 WeakPolarHBondContact O-CB 3.34Å; N237-N240 PolarHBondContact O-N 3.4Å; F238-N240 VanDerWaalsContact C-N 3.29Å; F238-N240 PolarHBondContact O-N 3.2Å |
| 241 | A | 97.5 | Very high | 97.8 | Very high | 91 Ų | 91 | 54.7 Ų | 54.7 | 75% | 0.752 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -80.6 | -25.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | N237 F238 L239 | N237-A241 PolarHBondContact O-N 2.76Å; F238-A241 PolarHBondContact O-N 3.31Å; L239-A241 VanDerWaalsContact C-N 3.33Å |
| 242 | N | 98 | Very high | 97.6 | Very high | 54 Ų | 54 | 53 Ų | 53 | 29% | 0.289 | 27% | 0.266 | S | S | . | . | trans | -111.8 | 93.6 | -177.8 | -167.1 | -33.2 | 0 | 0 | 0 | 111.7 | F238 L239 S244 E245 Y246 | F238-N242 HydrophobicContact CE2-CB 4.39Å; F238-N242 HydrophobicContact CZ-CB 4.45Å; F238-N242 WeakPolarHBondContact O-CB 3.22Å; F238-N242 PolarHBondContact O-N 3.18Å; L239-N242 CarbonylContact O-C 3.57Å; L239-N242 PolarHBondContact O-N 3.34Å; N242-S244 VanDerWaalsContact C-N 3.29Å; N242-S244 PolarHBondContact O-N 2.84Å; N242-S244 PolarHBondContact OD1-N 3.18Å; N242-E245 HydrophobicContact CB-CB 4.17Å; N242-E245 HydrophobicContact CB-CG 4.18Å; N242-E245 VanDerWaalsContact CG-CG 3.47Å; N242-E245 WeakPolarHBondContact ND2-CG 3.25Å; N242-E245 PolarHBondContact O-N 3.05Å; N242-E245 PolarHBondContact OD1-N 3.19Å; N242-E245 VanDerWaalsContact OD1-N 3.15Å; N242-Y246 PolarHBondContact O-N 2.97Å | ||
| 243 | E | 96.9 | Very high | 97.4 | Very high | 102 Ų | 102 | 53 Ų | 53 | 48% | 0.477 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -56.6 | -41.5 | -179.9 | -176.5 | 176.5 | 117.2 | 0 | 0 | 112.6 | A120 E245 Y246 L247 | A120-E243 VanDerWaalsContact CB-CD 3.42Å; A120-E243 HydrophobicContact CB-CG 4.05Å; A120-E243 WeakPolarHBondContact CB-OE2 3.45Å; E243-E245 PolarHBondContact O-N 3.26Å; E243-Y246 PolarHBondContact O-N 3.27Å; E243-L247 HydrophobicContact CG-CD1 3.83Å; E243-L247 HydrophobicContact CG-CG 4.13Å; E243-L247 WeakPolarHBondContact O-CB 3.36Å; E243-L247 VanDerWaalsContact O-CG 3.28Å; E243-L247 WeakPolarHBondContact O-CG 3.1Å; E243-L247 PolarHBondContact O-N 3.25Å |
| 244 | S | 96.7 | Very high | 97 | Very high | 84 Ų | 84 | 57.2 Ų | 57.2 | 59% | 0.587 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -64.3 | -40.8 | -177.6 | -68.1 | 0 | 0 | 0 | 0 | 111.8 | N242 K248 | N242-S244 VanDerWaalsContact C-N 3.29Å; N242-S244 PolarHBondContact O-N 2.84Å; N242-S244 PolarHBondContact OD1-N 3.18Å; S244-K248 WeakPolarHBondContact O-CG 3.3Å; S244-K248 PolarHBondContact O-N 3.44Å |
| 245 | E | 98.1 | Very high | 96.6 | Very high | 55 Ų | 55 | 55.8 Ų | 55.8 | 26% | 0.257 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -70.2 | -41.2 | 176.1 | -64.5 | -57.7 | 133.4 | 0 | 0 | 112.1 | F238 L239 N242 E243 L247 K248 | F238-E245 HydrophobicContact CE1-CB 3.98Å; F238-E245 HydrophobicContact CE1-CG 3.84Å; F238-E245 HydrophobicContact CZ-CB 4.36Å; F238-E245 HydrophobicContact CZ-CG 3.75Å; L239-E245 HydrophobicContact CD2-CB 3.78Å; N242-E245 HydrophobicContact CB-CB 4.17Å; N242-E245 HydrophobicContact CB-CG 4.18Å; N242-E245 VanDerWaalsContact CG-CG 3.47Å; N242-E245 WeakPolarHBondContact ND2-CG 3.25Å; N242-E245 PolarHBondContact O-N 3.05Å; N242-E245 PolarHBondContact OD1-N 3.19Å; N242-E245 VanDerWaalsContact OD1-N 3.15Å; E243-E245 PolarHBondContact O-N 3.26Å; E245-L247 PolarHBondContact O-N 3.18Å; E245-K248 WeakPolarHBondContact O-CB 3.13Å; E245-K248 PolarHBondContact O-N 3.02Å; E245-K248 VanDerWaalsContact OE1-CE 3.3Å; E245-K248 WeakPolarHBondContact OE1-CE 3.44Å; E245-K248 IonicContact OE1-NZ 3.3Å; E245-K248 PolarHBondContact OE1-NZ 2.97Å; E245-K248 WeakPolarHBondContact OE2-CE 3.29Å; E245-K248 IonicContact OE2-NZ 3.7Å; E245-K248 PolarHBondContact OE2-NZ 3.46Å |
| 246 | Y | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.7 | -44.2 | 174.2 | 166.1 | -109.2 | 0 | 0 | 0 | 112.2 | L119 K176 F177 V203 L239 N242 E243 K248 Y249 F250 | L119-Y246 HydrophobicContact CB-CE1 4.46Å; L119-Y246 WeakPolarHBondContact O-CE1 3.17Å; K176-Y246 HydrophobicContact CB-CD2 4.38Å; K176-Y246 HydrophobicContact CB-CE2 3.6Å; K176-Y246 HydrophobicContact CD-CD2 4.46Å; K176-Y246 HydrophobicContact CD-CE2 4.29Å; K176-Y246 HydrophobicContact CG-CE1 4.34Å; K176-Y246 HydrophobicContact CG-CE2 3.85Å; F177-Y246 HydrophobicContact CE1-CD2 4.4Å; F177-Y246 HydrophobicContact CZ-CD2 4.04Å; F177-Y246 HydrophobicContact CZ-CE2 4.38Å; V203-Y246 HydrophobicContact CG2-CD2 4.44Å; V203-Y246 HydrophobicContact CG2-CE2 3.95Å; L239-Y246 WeakPolarHBondContact O-CB 3.28Å; N242-Y246 PolarHBondContact O-N 2.97Å; E243-Y246 PolarHBondContact O-N 3.27Å; Y246-K248 PolarHBondContact O-N 3.27Å; Y246-Y249 WeakPolarHBondContact O-CB 3.06Å; Y246-Y249 PolarHBondContact O-N 2.97Å; Y246-F250 HydrophobicContact CD1-CE2 4.47Å; Y246-F250 HydrophobicContact CD2-CE2 4.33Å; Y246-F250 AromaticContact CE1-CE2 3.87Å; Y246-F250 HydrophobicContact CE1-CE2 3.87Å; Y246-F250 AromaticContact CE2-CE2 3.72Å; Y246-F250 HydrophobicContact CE2-CE2 3.72Å; Y246-F250 HydrophobicContact CE2-CZ 4.06Å; Y246-F250 AromaticContact CZ-CE2 3.46Å; Y246-F250 VanDerWaalsContact CZ-CE2 3.46Å; Y246-F250 AromaticContact CZ-CZ 3.83Å |
| 247 | L | 97.2 | Very high | 96.2 | Very high | 34 Ų | 34 | 56.9 Ų | 56.9 | 18% | 0.178 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.3 | -19.4 | -178.3 | -70.5 | 178.8 | 0 | 0 | 0 | 113.4 | M116 L119 E243 E245 Y249 F250 | M116-L247 HydrophobicContact SD-CD2 4.25Å; L119-L247 HydrophobicContact CB-CD2 3.93Å; E243-L247 HydrophobicContact CG-CD1 3.83Å; E243-L247 HydrophobicContact CG-CG 4.13Å; E243-L247 WeakPolarHBondContact O-CB 3.36Å; E243-L247 VanDerWaalsContact O-CG 3.28Å; E243-L247 WeakPolarHBondContact O-CG 3.1Å; E243-L247 PolarHBondContact O-N 3.25Å; E245-L247 PolarHBondContact O-N 3.18Å; L247-Y249 PolarHBondContact O-N 3.44Å; L247-F250 HydrophobicContact CD2-CD2 4.44Å; L247-F250 PolarHBondContact O-N 3.16Å; L247-F250 VanDerWaalsContact O-N 3.15Å |
| 248 | K | 97 | Very high | 96.1 | Very high | 80 Ų | 80 | 54.2 Ų | 54.2 | 35% | 0.348 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -59.1 | -29.1 | 173.9 | -66.5 | -178.8 | -172.9 | 169.1 | 0 | 112.4 | S244 E245 Y246 F250 R251 | S244-K248 WeakPolarHBondContact O-CG 3.3Å; S244-K248 PolarHBondContact O-N 3.44Å; E245-K248 WeakPolarHBondContact O-CB 3.13Å; E245-K248 PolarHBondContact O-N 3.02Å; E245-K248 VanDerWaalsContact OE1-CE 3.3Å; E245-K248 WeakPolarHBondContact OE1-CE 3.44Å; E245-K248 IonicContact OE1-NZ 3.3Å; E245-K248 PolarHBondContact OE1-NZ 2.97Å; E245-K248 WeakPolarHBondContact OE2-CE 3.29Å; E245-K248 IonicContact OE2-NZ 3.7Å; E245-K248 PolarHBondContact OE2-NZ 3.46Å; Y246-K248 PolarHBondContact O-N 3.27Å; K248-F250 PolarHBondContact O-N 2.98Å; K248-R251 PolarHBondContact O-N 3.31Å |
| 249 | Y | 98.2 | Very high | 95.9 | Very high | 28 Ų | 28 | 55 Ų | 55 | 11% | 0.11 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -66.8 | -4.8 | 179.1 | -77.4 | -86.7 | 0 | 0 | 0 | 114.9 | V203 G218 I221 Y235 L239 Y246 L247 W252 | V203-Y249 HydrophobicContact CG1-CD1 3.55Å; V203-Y249 HydrophobicContact CG1-CE1 4.09Å; V203-Y249 HydrophobicContact CG1-CG 3.87Å; V203-Y249 HydrophobicContact CG2-CD1 4.49Å; V203-Y249 HydrophobicContact CG2-CG 4.01Å; G218-Y249 VanDerWaalsContact O-CA 3.25Å; G218-Y249 WeakPolarHBondContact O-CA 3.36Å; G218-Y249 WeakPolarHBondContact O-CD1 3.43Å; I221-Y249 HydrophobicContact CD1-CE1 4.23Å; I221-Y249 HydrophobicContact CG1-CD1 4.43Å; I221-Y249 HydrophobicContact CG1-CE1 3.52Å; I221-Y249 WeakPolarHBondContact CG1-OH 3.47Å; Y235-Y249 WeakPolarHBondContact CE1-OH 3.34Å; Y235-Y249 PolarHBondContact OH-OH 3.08Å; L239-Y249 HydrophobicContact CD1-CD2 4.33Å; L239-Y249 HydrophobicContact CD1-CE2 3.62Å; L239-Y249 HydrophobicContact CD2-CE2 4.01Å; L239-Y249 HydrophobicContact CG-CE2 4.5Å; Y246-Y249 WeakPolarHBondContact O-CB 3.06Å; Y246-Y249 PolarHBondContact O-N 2.97Å; L247-Y249 PolarHBondContact O-N 3.44Å; Y249-W252 PolarHBondContact O-NE1 3.48Å |
| 250 | F | 96.7 | Very high | 95.8 | Very high | 3 Ų | 3 | 58.6 Ų | 58.6 | 1% | 0.013 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -117 | 2.3 | -178 | -58 | -75.4 | 0 | 0 | 0 | 113.8 | M116 L119 R201 V203 Y246 L247 K248 W252 I253 | M116-F250 HydrophobicContact CE-CB 3.74Å; M116-F250 HydrophobicContact SD-CB 4Å; L119-F250 HydrophobicContact CD1-CB 4.05Å; L119-F250 HydrophobicContact CD1-CD1 3.82Å; L119-F250 HydrophobicContact CD1-CD2 3.83Å; L119-F250 HydrophobicContact CD1-CE1 4.17Å; L119-F250 HydrophobicContact CD1-CE2 4.18Å; L119-F250 HydrophobicContact CD1-CG 3.61Å; L119-F250 HydrophobicContact CD1-CZ 4.32Å; L119-F250 HydrophobicContact CD2-CE1 4.21Å; L119-F250 HydrophobicContact CD2-CZ 4.17Å; R201-F250 HydrophobicContact CB-CE1 4.11Å; R201-F250 WeakPolarHBondContact O-CE1 3.44Å; R201-F250 WeakPolarHBondContact O-CZ 3.48Å; V203-F250 HydrophobicContact CG2-CE1 4.11Å; V203-F250 HydrophobicContact CG2-CE2 3.86Å; V203-F250 HydrophobicContact CG2-CZ 3.48Å; V203-F250 VanDerWaalsContact CG2-CZ 3.48Å; Y246-F250 HydrophobicContact CD1-CE2 4.47Å; Y246-F250 HydrophobicContact CD2-CE2 4.33Å; Y246-F250 AromaticContact CE1-CE2 3.87Å; Y246-F250 HydrophobicContact CE1-CE2 3.87Å; Y246-F250 AromaticContact CE2-CE2 3.72Å; Y246-F250 HydrophobicContact CE2-CE2 3.72Å; Y246-F250 HydrophobicContact CE2-CZ 4.06Å; Y246-F250 AromaticContact CZ-CE2 3.46Å; Y246-F250 VanDerWaalsContact CZ-CE2 3.46Å; Y246-F250 AromaticContact CZ-CZ 3.83Å; L247-F250 HydrophobicContact CD2-CD2 4.44Å; L247-F250 PolarHBondContact O-N 3.16Å; L247-F250 VanDerWaalsContact O-N 3.15Å; K248-F250 PolarHBondContact O-N 2.98Å; F250-W252 PolarHBondContact O-N 3.17Å; F250-I253 HydrophobicContact CB-CD1 3.75Å; F250-I253 HydrophobicContact CD1-CD1 4.01Å; F250-I253 HydrophobicContact CG-CD1 4.34Å; F250-I253 WeakPolarHBondContact O-CB 2.93Å; F250-I253 WeakPolarHBondContact O-CD1 2.93Å; F250-I253 VanDerWaalsContact O-CG1 3.26Å; F250-I253 WeakPolarHBondContact O-CG1 3.5Å; F250-I253 PolarHBondContact O-N 2.87Å; F250-I253 VanDerWaalsContact O-N 3.15Å |
| 251 | R | 94 | Very high | 95.6 | Very high | 159 Ų | 159 | 56.8 Ų | 56.8 | 60% | 0.6 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -58.3 | -32.8 | 177.3 | -70.9 | -179.1 | -177.3 | -176.4 | -1 | 112.9 | K248 I253 E254 | K248-R251 PolarHBondContact O-N 3.31Å; R251-I253 PolarHBondContact O-N 3.5Å; R251-I253 VanDerWaalsContact O-N 3.11Å; R251-E254 WeakPolarHBondContact O-CB 3.25Å; R251-E254 PolarHBondContact O-N 2.01Å; R251-E254 VanDerWaalsContact O-N 3.15Å |
| 252 | W | 94.7 | Very high | 95.2 | Very high | 15 Ų | 15 | 56.8 Ų | 56.8 | 6% | 0.057 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -59.4 | -23.4 | 179.4 | 65 | -94.7 | 0 | 0 | 0 | 114 | L198 P216 Y249 F250 E254 T255 T256 V258 | L198-W252 HydrophobicContact CB-CH2 3.89Å; L198-W252 HydrophobicContact CB-CZ2 3.97Å; L198-W252 HydrophobicContact CD2-CH2 4.38Å; L198-W252 HydrophobicContact CD2-CZ2 3.7Å; L198-W252 HydrophobicContact CG-CZ2 4.33Å; P216-W252 HydrophobicContact CB-CB 3.45Å; P216-W252 VanDerWaalsContact CB-CB 3.45Å; P216-W252 HydrophobicContact CB-CD2 4.26Å; P216-W252 HydrophobicContact CB-CE3 4.43Å; P216-W252 HydrophobicContact CB-CG 3.88Å; P216-W252 HydrophobicContact CG-CB 4.33Å; P216-W252 HydrophobicContact CG-CD2 4.3Å; P216-W252 HydrophobicContact CG-CE3 4.08Å; P216-W252 HydrophobicContact CG-CG 4.42Å; Y249-W252 PolarHBondContact O-NE1 3.48Å; F250-W252 PolarHBondContact O-N 3.17Å; W252-E254 PolarHBondContact O-N 3.18Å; W252-E254 VanDerWaalsContact O-N 3.15Å; W252-T255 PolarHBondContact O-N 2.8Å; W252-T255 VanDerWaalsContact O-N 3.12Å; W252-T255 PolarHBondContact O-OG1 2.93Å; W252-T256 PolarHBondContact O-N 2.96Å; W252-V258 HydrophobicContact CH2-CG2 3.88Å; W252-V258 HydrophobicContact CZ3-CG2 3.79Å |
| 253 | I | 93.5 | Very high | 94.8 | Very high | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -61.4 | -24.5 | 179.5 | -60.3 | 168.4 | 0 | 0 | 0 | 110.8 | K104 L112 M116 F250 R251 T255 | K104-I253 WeakPolarHBondContact CD-O 3.39Å; K104-I253 WeakPolarHBondContact CE-O 3.45Å; K104-I253 PolarHBondContact NZ-O 3.11Å; L112-I253 HydrophobicContact CD2-CB 4.38Å; L112-I253 HydrophobicContact CD2-CG2 4.16Å; M116-I253 HydrophobicContact CE-CD1 4.27Å; F250-I253 HydrophobicContact CB-CD1 3.75Å; F250-I253 HydrophobicContact CD1-CD1 4.01Å; F250-I253 HydrophobicContact CG-CD1 4.34Å; F250-I253 WeakPolarHBondContact O-CB 2.93Å; F250-I253 WeakPolarHBondContact O-CD1 2.93Å; F250-I253 VanDerWaalsContact O-CG1 3.26Å; F250-I253 WeakPolarHBondContact O-CG1 3.5Å; F250-I253 PolarHBondContact O-N 2.87Å; F250-I253 VanDerWaalsContact O-N 3.15Å; R251-I253 PolarHBondContact O-N 3.5Å; R251-I253 VanDerWaalsContact O-N 3.11Å; I253-T255 VanDerWaalsContact C-N 3.28Å; I253-T255 PolarHBondContact O-N 2.81Å |
| 254 | E | 90.3 | Very high | 94.5 | Very high | 90 Ų | 90 | 49.7 Ų | 49.7 | 42% | 0.421 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -63.7 | -35.2 | 177.9 | -67.9 | 177.7 | -161.8 | 0 | 0 | 112.4 | N107 L112 R251 W252 | N107-E254 PolarHBondContact OD1-O 2.96Å; L112-E254 HydrophobicContact CD1-CG 4.02Å; L112-E254 HydrophobicContact CD2-CB 4.43Å; L112-E254 HydrophobicContact CD2-CG 3.46Å; L112-E254 VanDerWaalsContact CD2-CG 3.46Å; L112-E254 HydrophobicContact CG-CG 4.37Å; R251-E254 WeakPolarHBondContact O-CB 3.25Å; R251-E254 PolarHBondContact O-N 2.01Å; R251-E254 VanDerWaalsContact O-N 3.15Å; W252-E254 PolarHBondContact O-N 3.18Å; W252-E254 VanDerWaalsContact O-N 3.15Å |
| 255 | T | 91.7 | Very high | 94.3 | Very high | 72 Ų | 72 | 45.8 Ų | 45.8 | 44% | 0.442 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | -14.5 | -169.1 | 61.3 | 0 | 0 | 0 | 0 | 114 | K103 K104 W252 I253 | K103-T255 WeakPolarHBondContact CA-O 3.45Å; K104-T255 PolarHBondContact N-O 3.45Å; W252-T255 PolarHBondContact O-N 2.8Å; W252-T255 VanDerWaalsContact O-N 3.12Å; W252-T255 PolarHBondContact O-OG1 2.93Å; I253-T255 VanDerWaalsContact C-N 3.28Å; I253-T255 PolarHBondContact O-N 2.81Å |
| 256 | T | 94.4 | Very high | 94 | Very high | 24 Ų | 24 | 44.2 Ų | 44.2 | 15% | 0.147 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 135.6 | -171.8 | -52.6 | 0 | 0 | 0 | 0 | 112.2 | F101 V102 K104 P216 W252 | F101-T256 HydrophobicContact CB-CG2 3.83Å; F101-T256 HydrophobicContact CD1-CG2 4.26Å; F101-T256 HydrophobicContact CG-CG2 4.44Å; V102-T256 CarbonylContact O-C 3.4Å; V102-T256 WeakPolarHBondContact O-CA 3.38Å; K104-T256 WeakPolarHBondContact CE-O 3.45Å; P216-T256 HydrophobicContact CG-CG2 3.85Å; W252-T256 PolarHBondContact O-N 2.96Å |
| 257 | D | 94 | Very high | 93.7 | Very high | 67 Ų | 67 | 48 Ų | 48 | 36% | 0.358 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 151.6 | 165.7 | -81.8 | -42.5 | 0 | 0 | 0 | 110.6 | F101 V102 K104 | F101-D257 WeakPolarHBondContact CA-O 3.39Å; V102-D257 HydrophobicContact CB-CB 4.47Å; V102-D257 PolarHBondContact N-O 3.39Å; V102-D257 PolarHBondContact O-N 3.21Å; K104-D257 WeakPolarHBondContact CE-OD1 3.4Å; K104-D257 WeakPolarHBondContact CE-OD2 3.45Å; K104-D257 HydrophobicContact CG-CB 4.47Å; K104-D257 VanDerWaalsContact CG-OD2 3.29Å; K104-D257 WeakPolarHBondContact CG-OD2 3.41Å; K104-D257 IonicContact NZ-OD1 2.86Å; K104-D257 PolarHBondContact NZ-OD1 3.22Å |
| 258 | V | 96.3 | Very high | 93.5 | Very high | 14 Ų | 14 | 46.4 Ų | 46.4 | 9% | 0.085 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 135 | 175.2 | -179.4 | 0 | 0 | 0 | 0 | 108.5 | F101 Y195 L198 L199 W252 | F101-V258 HydrophobicContact CD1-CG2 4.02Å; F101-V258 HydrophobicContact CE1-CG2 4.01Å; Y195-V258 HydrophobicContact CD1-CG1 3.81Å; Y195-V258 HydrophobicContact CG-CG1 4.33Å; L198-V258 HydrophobicContact CB-CG2 3.96Å; L198-V258 HydrophobicContact CD1-CG2 4.13Å; L199-V258 HydrophobicContact CD1-CG1 4.45Å; L199-V258 HydrophobicContact CD2-CB 3.99Å; L199-V258 HydrophobicContact CD2-CG1 4.33Å; L199-V258 HydrophobicContact CG-CB 4.19Å; L199-V258 HydrophobicContact CG-CG1 4.05Å; W252-V258 HydrophobicContact CH2-CG2 3.88Å; W252-V258 HydrophobicContact CZ3-CG2 3.79Å |
| 259 | K | 95.4 | Very high | 93.3 | Very high | 114 Ų | 114 | 43 Ų | 43 | 50% | 0.496 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 130.3 | 174.2 | -63.5 | -173.4 | -179.4 | -177.7 | 0 | 110.2 | G99 S100 V102 | G99-K259 CarbonylContact C-O 3.55Å; G99-K259 WeakPolarHBondContact CA-O 3.35Å; S100-K259 PolarHBondContact N-O 3.1Å; S100-K259 PolarHBondContact O-N 3.37Å; V102-K259 HydrophobicContact CG2-CD 3.86Å; V102-K259 HydrophobicContact CG2-CG 4.22Å |
| 260 | L | 94.5 | Very high | 93 | Very high | 76 Ų | 76 | 44 Ų | 44 | 40% | 0.398 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 145.8 | 165.8 | -71.4 | 169.1 | 0 | 0 | 0 | 109.6 | E192 Y195 E196 L199 P262 | E192-L260 HydrophobicContact CB-CD2 4.11Å; Y195-L260 HydrophobicContact CG-CD2 4.42Å; E196-L260 HydrophobicContact CG-CD1 4.34Å; E196-L260 HydrophobicContact CG-CD2 4.48Å; L199-L260 HydrophobicContact CD1-CD1 3.86Å; L199-L260 HydrophobicContact CD1-CG 3.84Å; L260-P262 WeakPolarHBondContact O-CD 3.4Å |
| 261 | I | 93.3 | Very high | 92.7 | Very high | 29 Ų | 29 | 44.4 Ų | 44.4 | 15% | 0.149 | 23% | 0.231 | C | C | . | . | trans | -116.5 | 91.5 | 176.7 | -65.3 | 167.1 | 0 | 0 | 0 | 106.5 | R65 P97 Y98 S263 | R65-I261 VanDerWaalsContact CZ-O 3.3Å; R65-I261 PolarHBondContact NH1-O 2.81Å; R65-I261 PolarHBondContact NH2-O 2.79Å; P97-I261 HydrophobicContact CG-CD1 3.75Å; P97-I261 WeakPolarHBondContact O-CB 3.15Å; Y98-I261 PolarHBondContact O-N 3.11Å; I261-S263 VanDerWaalsContact C-N 3.27Å; I261-S263 VanDerWaalsContact CG2-O 3.25Å; I261-S263 WeakPolarHBondContact CG2-O 3.25Å; I261-S263 PolarHBondContact O-N 2.98Å | ||
| 262 | P | 89.3 | Confident | 92.5 | Very high | 92 Ų | 92 | 39.8 Ų | 39.8 | 60% | 0.597 | 22% | 0.217 | S | C | * | . | trans | -68 | -29.9 | -173.8 | 26.7 | -34.3 | 0 | 0 | 0 | 112.4 | P12 L260 | P12-P262 HydrophobicContact CG-CB 4.42Å; P12-P262 HydrophobicContact CG-CG 4.04Å; L260-P262 WeakPolarHBondContact O-CD 3.4Å | ||
| 263 | S | 90.3 | Very high | 92.3 | Very high | 5 Ų | 5 | 44.5 Ų | 44.5 | 4% | 0.035 | 24% | 0.243 | C | C | . | . | trans | -149.9 | 167 | -177.4 | -167.4 | 0 | 0 | 0 | 0 | 111.1 | S10 I261 T265 | S10-S263 WeakPolarHBondContact O-CB 3.43Å; S10-S263 PolarHBondContact O-OG 3.46Å; I261-S263 VanDerWaalsContact C-N 3.27Å; I261-S263 VanDerWaalsContact CG2-O 3.25Å; I261-S263 WeakPolarHBondContact CG2-O 3.25Å; I261-S263 PolarHBondContact O-N 2.98Å; S263-T265 VanDerWaalsContact OG-CG2 3.3Å; S263-T265 WeakPolarHBondContact OG-CG2 3.01Å; S263-T265 PolarHBondContact OG-OG1 2.91Å | ||
| 264 | C | 91.6 | Very high | 91.9 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.014 | 26% | 0.263 | C | S | . | . | trans | -127.2 | 19.4 | 177.8 | -56.4 | 0 | 0 | 0 | 0 | 113.3 | R65 M86 C96 C266 Q267 L268 | R65-C264 PolarHBondContact NH2-SG 3.05Å; M86-C264 HydrophobicContact CG-CB 4.37Å; M86-C264 HydrophobicContact SD-CB 3.82Å; C96-C264 WeakPolarHBondContact CA-SG 3.37Å; C96-C264 HydrophobicContact CB-CB 3.71Å; C96-C264 WeakPolarHBondContact CB-SG 3.01Å; C96-C264 WeakPolarHBondContact SG-CB 3.32Å; C96-C264 CovalentContact SG-SG 2.01Å; C96-C264 PolarHBondContact SG-SG 2.99Å; C264-C266 VanDerWaalsContact C-N 3.34Å; C264-C266 PolarHBondContact O-N 2.61Å; C264-Q267 PolarHBondContact O-N 3.47Å; C264-Q267 PolarHBondContact O-OE1 2.97Å; C264-L268 WeakPolarHBondContact O-CB 3.42Å; C264-L268 PolarHBondContact O-N 2.94Å | ||
| 265 | T | 92.2 | Very high | 91.4 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60 | -43.9 | -178.4 | 43.8 | 0 | 0 | 0 | 0 | 111.6 | K11 E15 Y21 W23 S263 L268 A269 | K11-T265 HydrophobicContact CB-CG2 4.44Å; E15-T265 PolarHBondContact OE1-OG1 2.97Å; E15-T265 PolarHBondContact OE2-OG1 2.93Å; E15-T265 VanDerWaalsContact OE2-OG1 3.08Å; Y21-T265 WeakPolarHBondContact OH-CB 3.47Å; Y21-T265 PolarHBondContact OH-OG1 3.03Å; W23-T265 HydrophobicContact CD2-CG2 3.46Å; W23-T265 VanDerWaalsContact CD2-CG2 3.46Å; W23-T265 VanDerWaalsContact CE2-CG2 3.44Å; W23-T265 HydrophobicContact CE3-CG2 3.57Å; W23-T265 HydrophobicContact CG-CG2 4.09Å; W23-T265 HydrophobicContact CH2-CG2 3.62Å; W23-T265 HydrophobicContact CZ2-CG2 3.55Å; W23-T265 HydrophobicContact CZ3-CG2 3.65Å; S263-T265 VanDerWaalsContact OG-CG2 3.3Å; S263-T265 WeakPolarHBondContact OG-CG2 3.01Å; S263-T265 PolarHBondContact OG-OG1 2.91Å; T265-L268 PolarHBondContact O-N 3.45Å; T265-A269 WeakPolarHBondContact O-CB 3.15Å; T265-A269 PolarHBondContact O-N 3.2Å |
| 266 | C | 91.9 | Very high | 90.4 | Very high | 23 Ų | 23 | 50.8 Ų | 50.8 | 16% | 0.155 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.3 | -44.7 | 175.9 | 177.3 | 0 | 0 | 0 | 0 | 112.8 | E15 C17 Y21 C264 L268 A269 S270 | E15-C266 WeakPolarHBondContact OE1-CB 3.44Å; C17-C266 WeakPolarHBondContact CA-SG 3.47Å; C17-C266 HydrophobicContact CB-CB 3.72Å; C17-C266 WeakPolarHBondContact CB-SG 3.31Å; C17-C266 WeakPolarHBondContact SG-CA 3.45Å; C17-C266 WeakPolarHBondContact SG-CB 3.48Å; C17-C266 CovalentContact SG-SG 2.03Å; C17-C266 PolarHBondContact SG-SG 3.33Å; Y21-C266 HydrophobicContact CE1-CB 4.34Å; Y21-C266 PolarHBondContact OH-N 3.1Å; C264-C266 VanDerWaalsContact C-N 3.34Å; C264-C266 PolarHBondContact O-N 2.61Å; C266-L268 VanDerWaalsContact C-N 3.33Å; C266-L268 PolarHBondContact O-N 3.3Å; C266-A269 PolarHBondContact O-N 3.5Å; C266-S270 WeakPolarHBondContact O-CB 3.48Å; C266-S270 PolarHBondContact O-N 3.43Å |
| 267 | Q | 91.4 | Very high | 89.2 | Confident | 78 Ų | 78 | 52.1 Ų | 52.1 | 36% | 0.364 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 179.9 | -66.8 | 83.3 | -20.5 | 0 | 0 | 110.9 | V94 C264 A271 | V94-Q267 HydrophobicContact CG1-CB 3.78Å; C264-Q267 PolarHBondContact O-N 3.47Å; C264-Q267 PolarHBondContact O-OE1 2.97Å; Q267-A271 WeakPolarHBondContact O-CB 3.43Å; Q267-A271 PolarHBondContact O-N 2.76Å |
| 268 | L | 92.2 | Very high | 87.8 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65 | -46.2 | 174.3 | 176.4 | 57.9 | 0 | 0 | 0 | 111.5 | W23 V39 V61 M84 M86 V94 C264 T265 C266 S270 A271 L272 | W23-L268 HydrophobicContact CH2-CD2 4.06Å; W23-L268 HydrophobicContact CZ3-CD2 3.85Å; V39-L268 HydrophobicContact CG2-CD2 3.49Å; V39-L268 VanDerWaalsContact CG2-CD2 3.49Å; V61-L268 HydrophobicContact CG1-CD1 4.36Å; V61-L268 HydrophobicContact CG1-CD2 4.27Å; V61-L268 HydrophobicContact CG2-CD1 4.1Å; V61-L268 HydrophobicContact CG2-CD2 4.2Å; M84-L268 HydrophobicContact CE-CD1 3.42Å; M84-L268 VanDerWaalsContact CE-CD1 3.42Å; M84-L268 HydrophobicContact SD-CD1 3.95Å; M86-L268 HydrophobicContact CE-CD2 4.16Å; M86-L268 HydrophobicContact SD-CB 3.8Å; M86-L268 HydrophobicContact SD-CD2 3.87Å; M86-L268 HydrophobicContact SD-CG 4.35Å; V94-L268 HydrophobicContact CG1-CB 4.43Å; V94-L268 HydrophobicContact CG2-CB 4.38Å; V94-L268 HydrophobicContact CG2-CD1 3.91Å; C264-L268 WeakPolarHBondContact O-CB 3.42Å; C264-L268 PolarHBondContact O-N 2.94Å; T265-L268 PolarHBondContact O-N 3.45Å; C266-L268 VanDerWaalsContact C-N 3.33Å; C266-L268 PolarHBondContact O-N 3.3Å; L268-S270 VanDerWaalsContact C-N 3.34Å; L268-S270 PolarHBondContact O-N 3.31Å; L268-A271 PolarHBondContact O-N 3.26Å; L268-L272 HydrophobicContact CD1-CD1 3.95Å; L268-L272 HydrophobicContact CD1-CD2 4.49Å; L268-L272 HydrophobicContact CD1-CG 3.97Å; L268-L272 HydrophobicContact CG-CD1 3.96Å; L268-L272 HydrophobicContact CG-CG 4.42Å; L268-L272 VanDerWaalsContact O-CG 3.31Å; L268-L272 WeakPolarHBondContact O-CG 3.45Å; L268-L272 PolarHBondContact O-N 2.03Å |
| 269 | A | 92.6 | Very high | 86.2 | Confident | 8 Ų | 8 | 58 Ų | 58 | 7% | 0.066 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.2 | -46.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V19 Y21 T265 C266 A271 L272 L273 | V19-A269 HydrophobicContact CG2-CB 3.84Å; Y21-A269 HydrophobicContact CD1-CB 3.69Å; Y21-A269 HydrophobicContact CD2-CB 3.88Å; Y21-A269 HydrophobicContact CE1-CB 4.3Å; Y21-A269 HydrophobicContact CE2-CB 4.44Å; Y21-A269 HydrophobicContact CG-CB 3.45Å; Y21-A269 VanDerWaalsContact CG-CB 3.45Å; T265-A269 WeakPolarHBondContact O-CB 3.15Å; T265-A269 PolarHBondContact O-N 3.2Å; C266-A269 PolarHBondContact O-N 3.5Å; A269-A271 VanDerWaalsContact C-N 3.35Å; A269-A271 PolarHBondContact O-N 3.45Å; A269-L272 PolarHBondContact O-N 2.88Å; A269-L273 WeakPolarHBondContact O-CB 3.27Å; A269-L273 WeakPolarHBondContact O-CG 3.33Å; A269-L273 PolarHBondContact O-N 3.12Å |
| 270 | S | 92 | Very high | 84.3 | Confident | 50 Ų | 50 | 57.4 Ų | 57.4 | 35% | 0.35 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 176.2 | -176.3 | 0 | 0 | 0 | 0 | 112.2 | C266 L268 S274 | C266-S270 WeakPolarHBondContact O-CB 3.48Å; C266-S270 PolarHBondContact O-N 3.43Å; L268-S270 VanDerWaalsContact C-N 3.34Å; L268-S270 PolarHBondContact O-N 3.31Å; S270-S274 VanDerWaalsContact O-CB 3.25Å; S270-S274 WeakPolarHBondContact O-CB 3.34Å; S270-S274 PolarHBondContact O-N 2.91Å; S270-S274 PolarHBondContact O-OG 2.95Å |
| 271 | A | 90.3 | Very high | 82.3 | Confident | 11 Ų | 11 | 61 Ų | 61 | 9% | 0.091 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.3 | -40.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V94 Q267 L268 A269 S274 G275 L277 | V94-A271 HydrophobicContact CG2-CB 3.86Å; Q267-A271 WeakPolarHBondContact O-CB 3.43Å; Q267-A271 PolarHBondContact O-N 2.76Å; L268-A271 PolarHBondContact O-N 3.26Å; A269-A271 VanDerWaalsContact C-N 3.35Å; A269-A271 PolarHBondContact O-N 3.45Å; A271-S274 PolarHBondContact O-OG 3.49Å; A271-G275 PolarHBondContact O-N 2.89Å; A271-L277 HydrophobicContact CB-CD2 4.28Å |
| 272 | L | 90.6 | Very high | 80.2 | Confident | 61 Ų | 61 | 63.5 Ų | 63.5 | 32% | 0.319 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.6 | -46.4 | 177.1 | -70.2 | 169.4 | 0 | 0 | 0 | 111.8 | A37 K59 M84 L268 A269 | A37-L272 HydrophobicContact CB-CD1 3.6Å; A37-L272 HydrophobicContact CB-CD2 4.4Å; K59-L272 HydrophobicContact CB-CD2 4Å; K59-L272 HydrophobicContact CG-CD2 3.77Å; M84-L272 HydrophobicContact SD-CD2 3.83Å; L268-L272 HydrophobicContact CD1-CD1 3.95Å; L268-L272 HydrophobicContact CD1-CD2 4.49Å; L268-L272 HydrophobicContact CD1-CG 3.97Å; L268-L272 HydrophobicContact CG-CD1 3.96Å; L268-L272 HydrophobicContact CG-CG 4.42Å; L268-L272 VanDerWaalsContact O-CG 3.31Å; L268-L272 WeakPolarHBondContact O-CG 3.45Å; L268-L272 PolarHBondContact O-N 2.03Å; A269-L272 PolarHBondContact O-N 2.88Å |
| 273 | L | 89.6 | Confident | 78.4 | Confident | 115 Ų | 115 | 66.9 Ų | 66.9 | 60% | 0.602 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -71.8 | -37.6 | -176.9 | -70.9 | 170.6 | 0 | 0 | 0 | 113.1 | V19 A269 G275 | V19-L273 HydrophobicContact CB-CD1 3.64Å; V19-L273 HydrophobicContact CG1-CD1 3.99Å; V19-L273 HydrophobicContact CG2-CD1 3.98Å; A269-L273 WeakPolarHBondContact O-CB 3.27Å; A269-L273 WeakPolarHBondContact O-CG 3.33Å; A269-L273 PolarHBondContact O-N 3.12Å; L273-G275 VanDerWaalsContact C-N 3.3Å; L273-G275 PolarHBondContact O-N 3.41Å |
| 274 | S | 86.4 | Confident | 77.1 | Confident | 60 Ų | 60 | 67.7 Ų | 67.7 | 42% | 0.42 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -76.7 | -17.9 | 179.6 | 64 | 0 | 0 | 0 | 0 | 113.5 | S270 A271 K276 | S270-S274 VanDerWaalsContact O-CB 3.25Å; S270-S274 WeakPolarHBondContact O-CB 3.34Å; S270-S274 PolarHBondContact O-N 2.91Å; S270-S274 PolarHBondContact O-OG 2.95Å; A271-S274 PolarHBondContact O-OG 3.49Å; S274-K276 PolarHBondContact O-N 3.08Å; S274-K276 PolarHBondContact OG-N 3.39Å |
| 275 | G | 80.1 | Confident | 75.7 | Confident | 60 Ų | 60 | 74.2 Ų | 74.2 | 62% | 0.619 | 39% | 0.388 | S | S | * | . | trans | 64 | -1 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | A271 L273 L277 | A271-G275 PolarHBondContact O-N 2.89Å; L273-G275 VanDerWaalsContact C-N 3.3Å; L273-G275 PolarHBondContact O-N 3.41Å; G275-L277 PolarHBondContact O-N 2.47Å; G275-L277 VanDerWaalsContact O-N 3.16Å | ||
| 276 | K | 70.2 | Confident | 75 | Confident | 175 Ų | 175 | 75.9 Ų | 75.9 | 76% | 0.761 | 40% | 0.397 | S | S | * | . | trans | -88 | 79.8 | -178.6 | -69.5 | 180 | 176.5 | 175.9 | 0 | 109.6 | S274 | S274-K276 PolarHBondContact O-N 3.08Å; S274-K276 PolarHBondContact OG-N 3.39Å | ||
| 277 | L | 69.2 | Low | 74.4 | Confident | 52 Ų | 52 | 75.2 Ų | 75.2 | 27% | 0.272 | 39% | 0.391 | S | S | . | . | trans | -73.5 | 141.1 | 169.9 | -62.9 | 174.8 | 0 | 0 | 0 | 109.8 | M84 A93 A271 G275 E279 | M84-L277 HydrophobicContact CE-CD2 3.58Å; M84-L277 HydrophobicContact SD-CD2 4.24Å; A93-L277 HydrophobicContact CB-CD2 4.48Å; A271-L277 HydrophobicContact CB-CD2 4.28Å; G275-L277 PolarHBondContact O-N 2.47Å; G275-L277 VanDerWaalsContact O-N 3.16Å; L277-E279 HydrophobicContact CB-CB 4.31Å; L277-E279 HydrophobicContact CB-CG 4.29Å; L277-E279 PolarHBondContact O-N 2.73Å; L277-E279 VanDerWaalsContact O-N 3.14Å | ||
| 278 | R | 64.9 | Low | 73.7 | Confident | 173 Ų | 173 | 73.9 Ų | 73.9 | 65% | 0.653 | 38% | 0.383 | S | S | * | . | trans | -68 | -3 | 171 | -70.9 | -175.5 | 169.6 | -169.4 | -1.8 | 113.3 | N280 | R278-N280 PolarHBondContact O-N 2.77Š| ||
| 279 | E | 61.4 | Low | 73.2 | Confident | 31 Ų | 31 | 77.7 Ų | 77.7 | 15% | 0.145 | 40% | 0.401 | C | S | . | . | trans | -74.4 | 125.9 | -169.2 | -66.1 | -178.5 | 165.2 | 0 | 0 | 112.5 | M84 A93 L277 K281 Q284 | M84-E279 WeakPolarHBondContact CA-OE1 3.3Å; M84-E279 VanDerWaalsContact CB-OE1 3.28Å; M84-E279 WeakPolarHBondContact CB-OE1 3.02Å; A93-E279 HydrophobicContact CB-CG 3.49Å; A93-E279 VanDerWaalsContact CB-CG 3.49Å; A93-E279 WeakPolarHBondContact CB-OE1 3.3Å; L277-E279 HydrophobicContact CB-CB 4.31Å; L277-E279 HydrophobicContact CB-CG 4.29Å; L277-E279 PolarHBondContact O-N 2.73Å; L277-E279 VanDerWaalsContact O-N 3.14Å; E279-K281 PolarHBondContact O-N 3.36Å; E279-Q284 PolarHBondContact OE1-OE1 2.78Å | ||
| 280 | N | 55.5 | Low | 72.9 | Confident | 101 Ų | 101 | 78.5 Ų | 78.5 | 54% | 0.54 | 40% | 0.402 | S | S | . | . | trans | -81.2 | 92.6 | 151.6 | -166.4 | -16.9 | 0 | 0 | 0 | 107.4 | R278 S282 K283 | R278-N280 PolarHBondContact O-N 2.77Å; N280-S282 PolarHBondContact O-N 2.8Å; N280-S282 PolarHBondContact OD1-OG 2.61Å; N280-K283 PolarHBondContact O-N 2.91Å | ||
| 281 | K | 53.3 | Low | 72.6 | Confident | 153 Ų | 153 | 76.1 Ų | 76.1 | 67% | 0.665 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -48.1 | -27.5 | -177.3 | -74.6 | -175 | 177.5 | 178.5 | 0 | 113.8 | E279 K283 | E279-K281 PolarHBondContact O-N 3.36Å; K281-K283 PolarHBondContact O-N 2.73Å |
| 282 | S | 48.3 | Very low | 72.2 | Confident | 80 Ų | 80 | 80 Ų | 80 | 56% | 0.559 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -62.8 | -23.5 | 177.9 | 65.5 | 0 | 0 | 0 | 0 | 114.5 | N280 | N280-S282 PolarHBondContact O-N 2.8Å; N280-S282 PolarHBondContact OD1-OG 2.61Å |
| 283 | K | 53.3 | Low | 72.1 | Confident | 164 Ų | 164 | 83.9 Ų | 83.9 | 71% | 0.713 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -101.2 | -7.8 | -173.9 | -70.6 | -171.8 | 176.8 | -175.8 | 0 | 115.3 | N280 K281 | N280-K283 PolarHBondContact O-N 2.91Å; K281-K283 PolarHBondContact O-N 2.73Å |
| 284 | Q | 62.1 | Low | 72 | Confident | 21 Ų | 21 | 79.7 Ų | 79.7 | 10% | 0.098 | 40% | 0.397 | C | S | . | . | trans | -121.2 | 14 | -171.2 | -73.5 | -175.9 | -5.9 | 0 | 0 | 114.3 | S91 E279 N286 L287 W290 | S91-Q284 PolarHBondContact O-NE2 3.16Å; E279-Q284 PolarHBondContact OE1-OE1 2.78Å; Q284-N286 CarbonylContact O-C 3.57Å; Q284-N286 PolarHBondContact O-N 2.79Å; Q284-L287 HydrophobicContact CB-CD2 3.9Å; Q284-L287 HydrophobicContact CG-CD2 4.17Å; Q284-L287 PolarHBondContact O-N 3.08Å; Q284-W290 HydrophobicContact CG-CB 4.41Å; Q284-W290 HydrophobicContact CG-CD2 4.06Å; Q284-W290 HydrophobicContact CG-CG 3.88Å; Q284-W290 VanDerWaalsContact NE2-CE2 3.29Å | ||
| 285 | L | 62.3 | Low | 72.2 | Confident | 140 Ų | 140 | 76.9 Ų | 76.9 | 73% | 0.733 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -52.3 | -27 | 176.9 | -81.2 | 146.9 | 0 | 0 | 0 | 113.4 | ||
| 286 | N | 77.2 | Confident | 72.7 | Confident | 36 Ų | 36 | 78.5 Ų | 78.5 | 19% | 0.193 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -119.3 | 90.9 | 166.1 | -173.4 | -15.1 | 0 | 0 | 0 | 109.3 | N79 Q284 Y288 E289 W290 | N79-N286 PolarHBondContact OD1-OD1 2.83Å; Q284-N286 CarbonylContact O-C 3.57Å; Q284-N286 PolarHBondContact O-N 2.79Å; N286-Y288 PolarHBondContact O-N 2.8Å; N286-Y288 PolarHBondContact OD1-N 3.21Å; N286-E289 HydrophobicContact CB-CB 3.93Å; N286-E289 VanDerWaalsContact CG-CB 3.4Å; N286-E289 WeakPolarHBondContact ND2-CB 3.48Å; N286-E289 PolarHBondContact ND2-OE2 2.56Å; N286-E289 VanDerWaalsContact ND2-OE2 3.09Å; N286-E289 PolarHBondContact O-N 2.72Å; N286-E289 PolarHBondContact OD1-N 3.21Å; N286-E289 VanDerWaalsContact OD1-N 3.12Å; N286-W290 WeakPolarHBondContact O-CB 3.4Å; N286-W290 PolarHBondContact O-N 2.64Å |
| 287 | L | 79.8 | Confident | 73.9 | Confident | 9 Ų | 9 | 71.5 Ų | 71.5 | 5% | 0.047 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.4 | -33.8 | -178.7 | -83.1 | 169.6 | 0 | 0 | 0 | 112.4 | F82 Q284 W290 W291 | F82-L287 HydrophobicContact CB-CD1 3.47Å; F82-L287 VanDerWaalsContact CB-CD1 3.47Å; Q284-L287 HydrophobicContact CB-CD2 3.9Å; Q284-L287 HydrophobicContact CG-CD2 4.17Å; Q284-L287 PolarHBondContact O-N 3.08Å; L287-W290 HydrophobicContact CD2-CE3 3.91Å; L287-W290 HydrophobicContact CD2-CZ3 4.26Å; L287-W291 WeakPolarHBondContact O-CB 3.48Å; L287-W291 PolarHBondContact O-N 3.01Å |
| 288 | Y | 77.3 | Confident | 75.1 | Confident | 50 Ų | 50 | 72.3 Ų | 72.3 | 20% | 0.196 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67.4 | -47.4 | 178.3 | -175.6 | -119.6 | 0 | 0 | 0 | 112.3 | F42 L75 N286 W291 Q292 | F42-Y288 HydrophobicContact CZ-CD2 4.46Å; F42-Y288 HydrophobicContact CZ-CE2 4.3Å; L75-Y288 HydrophobicContact CB-CD1 4.13Å; L75-Y288 HydrophobicContact CB-CD2 3.76Å; L75-Y288 HydrophobicContact CB-CE1 4.36Å; L75-Y288 HydrophobicContact CB-CE2 3.99Å; L75-Y288 HydrophobicContact CB-CG 3.78Å; L75-Y288 HydrophobicContact CD1-CD2 3.18Å; L75-Y288 HydrophobicContact CD1-CE2 3.8Å; L75-Y288 HydrophobicContact CD1-CG 3.76Å; L75-Y288 HydrophobicContact CG-CD2 3.49Å; L75-Y288 VanDerWaalsContact CG-CD2 3.49Å; L75-Y288 HydrophobicContact CG-CE2 3.61Å; L75-Y288 HydrophobicContact CG-CG 4.05Å; N286-Y288 PolarHBondContact O-N 2.8Å; N286-Y288 PolarHBondContact OD1-N 3.21Å; Y288-W291 WeakPolarHBondContact O-CB 3.27Å; Y288-W291 PolarHBondContact O-N 3.32Å; Y288-Q292 HydrophobicContact CE1-CG 4.33Å; Y288-Q292 HydrophobicContact CE2-CG 4.32Å; Y288-Q292 WeakPolarHBondContact O-CG 3.01Å; Y288-Q292 PolarHBondContact O-N 3.29Å; Y288-Q292 PolarHBondContact OH-NE2 3.29Å |
| 289 | E | 80.7 | Confident | 76.5 | Confident | 82 Ų | 82 | 69.1 Ų | 69.1 | 38% | 0.383 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65 | -42 | 178.3 | -176 | -177.1 | 171 | 0 | 0 | 111.3 | N286 W291 Q292 K293 | N286-E289 HydrophobicContact CB-CB 3.93Å; N286-E289 VanDerWaalsContact CG-CB 3.4Å; N286-E289 WeakPolarHBondContact ND2-CB 3.48Å; N286-E289 PolarHBondContact ND2-OE2 2.56Å; N286-E289 VanDerWaalsContact ND2-OE2 3.09Å; N286-E289 PolarHBondContact O-N 2.72Å; N286-E289 PolarHBondContact OD1-N 3.21Å; N286-E289 VanDerWaalsContact OD1-N 3.12Å; E289-W291 VanDerWaalsContact C-N 3.32Å; E289-W291 PolarHBondContact O-N 3.18Å; E289-Q292 PolarHBondContact O-N 2.97Å; E289-K293 HydrophobicContact CG-CD 4.01Å; E289-K293 WeakPolarHBondContact O-CB 3.05Å; E289-K293 WeakPolarHBondContact O-CG 3.43Å; E289-K293 PolarHBondContact O-N 3.07Å; E289-K293 WeakPolarHBondContact OE1-CE 3.12Å; E289-K293 IonicContact OE1-NZ 2.72Å; E289-K293 PolarHBondContact OE1-NZ 3.05Å |
| 290 | W | 86.3 | Confident | 78.1 | Confident | 24 Ų | 24 | 71.7 Ų | 71.7 | 9% | 0.091 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -57.7 | -45.8 | 171.4 | 162.8 | 78.9 | 0 | 0 | 0 | 111.2 | L89 S91 S92 Q284 N286 L287 K293 S294 | L89-W290 HydrophobicContact CB-CZ2 4.43Å; L89-W290 HydrophobicContact CD1-CH2 4.26Å; L89-W290 HydrophobicContact CD1-CZ2 4.11Å; S91-W290 WeakPolarHBondContact OG-CZ2 3.32Å; S92-W290 VanDerWaalsContact OG-CH2 3.26Å; S92-W290 WeakPolarHBondContact OG-CH2 3.22Å; Q284-W290 HydrophobicContact CG-CB 4.41Å; Q284-W290 HydrophobicContact CG-CD2 4.06Å; Q284-W290 HydrophobicContact CG-CG 3.88Å; Q284-W290 VanDerWaalsContact NE2-CE2 3.29Å; N286-W290 WeakPolarHBondContact O-CB 3.4Å; N286-W290 PolarHBondContact O-N 2.64Å; L287-W290 HydrophobicContact CD2-CE3 3.91Å; L287-W290 HydrophobicContact CD2-CZ3 4.26Å; W290-K293 PolarHBondContact O-N 2.9Å; W290-S294 PolarHBondContact NE1-OG 2.8Å; W290-S294 VanDerWaalsContact NE1-OG 3.12Å; W290-S294 WeakPolarHBondContact O-CB 3.01Å; W290-S294 PolarHBondContact O-N 3.4Å; W290-S294 PolarHBondContact O-OG 3.44Å |
| 291 | W | 85.2 | Confident | 80 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62 | -47 | -179.5 | -179.8 | -124.2 | 0 | 0 | 0 | 111.6 | F62 E66 T68 T87 Y88 L89 L287 Y288 E289 N295 | F62-W291 HydrophobicContact CE1-CD2 4.04Å; F62-W291 HydrophobicContact CE1-CE3 4.46Å; F62-W291 HydrophobicContact CE1-CG 4.23Å; F62-W291 AromaticContact CZ-CD1 3.7Å; F62-W291 HydrophobicContact CZ-CD2 4.13Å; F62-W291 AromaticContact CZ-CG 3.92Å; F62-W291 HydrophobicContact CZ-CG 3.92Å; F62-W291 AromaticContact CZ-NE1 3.76Å; E66-W291 WeakPolarHBondContact O-CZ2 3.44Å; T68-W291 HydrophobicContact CG2-CD2 4.24Å; T68-W291 HydrophobicContact CG2-CG 3.91Å; T87-W291 VanDerWaalsContact CB-CZ3 3.47Å; T87-W291 HydrophobicContact CG2-CE3 4.09Å; T87-W291 HydrophobicContact CG2-CH2 3.94Å; T87-W291 HydrophobicContact CG2-CZ3 3.65Å; T87-W291 WeakPolarHBondContact OG1-CZ3 3.38Å; Y88-W291 AromaticContact CD1-CH2 3.72Å; Y88-W291 HydrophobicContact CD1-CH2 3.72Å; Y88-W291 HydrophobicContact CD1-CZ3 4.49Å; Y88-W291 AromaticContact CE1-CH2 3.39Å; Y88-W291 HydrophobicContact CE1-CH2 3.39Å; Y88-W291 HydrophobicContact CE1-CZ2 4.12Å; Y88-W291 HydrophobicContact CE1-CZ3 4.14Å; L89-W291 HydrophobicContact CB-CZ3 4.41Å; L89-W291 HydrophobicContact CD1-CE3 3.58Å; L89-W291 HydrophobicContact CD1-CZ3 3.41Å; L89-W291 VanDerWaalsContact CD1-CZ3 3.41Å; L89-W291 HydrophobicContact CG-CE3 4.39Å; L89-W291 HydrophobicContact CG-CZ3 3.71Å; L287-W291 WeakPolarHBondContact O-CB 3.48Å; L287-W291 PolarHBondContact O-N 3.01Å; Y288-W291 WeakPolarHBondContact O-CB 3.27Å; Y288-W291 PolarHBondContact O-N 3.32Å; E289-W291 VanDerWaalsContact C-N 3.32Å; E289-W291 PolarHBondContact O-N 3.18Å; W291-N295 VanDerWaalsContact CD2-ND2 3.31Å; W291-N295 WeakPolarHBondContact CZ3-ND2 3.38Å; W291-N295 PolarHBondContact O-N 3.45Å; W291-N295 PolarHBondContact O-ND2 3.14Å |
| 292 | Q | 83.5 | Confident | 82.1 | Confident | 93 Ų | 93 | 59.9 Ų | 59.9 | 44% | 0.435 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.8 | -52.6 | 175.2 | -73.7 | -166 | -7.6 | 0 | 0 | 112.5 | T68 Y288 E289 S294 N295 | T68-Q292 HydrophobicContact CG2-CG 4.36Å; Y288-Q292 HydrophobicContact CE1-CG 4.33Å; Y288-Q292 HydrophobicContact CE2-CG 4.32Å; Y288-Q292 WeakPolarHBondContact O-CG 3.01Å; Y288-Q292 PolarHBondContact O-N 3.29Å; Y288-Q292 PolarHBondContact OH-NE2 3.29Å; E289-Q292 PolarHBondContact O-N 2.97Å; Q292-S294 PolarHBondContact O-N 2.69Å; Q292-N295 PolarHBondContact O-N 3.49Å |
| 293 | K | 86.6 | Confident | 84.2 | Confident | 143 Ų | 143 | 62 Ų | 62 | 62% | 0.622 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -65.3 | -38.5 | -176.5 | -73 | 178.9 | 174.7 | 176.2 | 0 | 112.6 | E289 W290 | E289-K293 HydrophobicContact CG-CD 4.01Å; E289-K293 WeakPolarHBondContact O-CB 3.05Å; E289-K293 WeakPolarHBondContact O-CG 3.43Å; E289-K293 PolarHBondContact O-N 3.07Å; E289-K293 WeakPolarHBondContact OE1-CE 3.12Å; E289-K293 IonicContact OE1-NZ 2.72Å; E289-K293 PolarHBondContact OE1-NZ 3.05Å; W290-K293 PolarHBondContact O-N 2.9Å |
| 294 | S | 89.6 | Confident | 86.1 | Confident | 27 Ų | 27 | 62.7 Ų | 62.7 | 19% | 0.189 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -78.8 | -18.4 | -175.6 | -52.6 | 0 | 0 | 0 | 0 | 113.7 | Q187 W290 Q292 | Q187-S294 PolarHBondContact OE1-O 3.44Å; W290-S294 PolarHBondContact NE1-OG 2.8Å; W290-S294 VanDerWaalsContact NE1-OG 3.12Å; W290-S294 WeakPolarHBondContact O-CB 3.01Å; W290-S294 PolarHBondContact O-N 3.4Å; W290-S294 PolarHBondContact O-OG 3.44Å; Q292-S294 PolarHBondContact O-N 2.69Å |
| 295 | N | 89.5 | Confident | 87.6 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -75.1 | -33.1 | 176 | -92.8 | -111 | 0 | 0 | 0 | 112 | T68 Y88 C186 Q187 W291 Q292 C297 | T68-N295 HydrophobicContact CG2-CB 3.93Å; T68-N295 PolarHBondContact N-OD1 3.39Å; Y88-N295 PolarHBondContact OH-OD1 3.34Å; C186-N295 CarbonylContact C-O 3.6Å; C186-N295 WeakPolarHBondContact CA-O 3.3Å; C186-N295 VanDerWaalsContact CB-O 3.27Å; C186-N295 WeakPolarHBondContact CB-O 3.14Å; Q187-N295 WeakPolarHBondContact CB-O 3.14Å; Q187-N295 PolarHBondContact N-O 3.29Å; W291-N295 VanDerWaalsContact CD2-ND2 3.31Å; W291-N295 WeakPolarHBondContact CZ3-ND2 3.38Å; W291-N295 PolarHBondContact O-N 3.45Å; W291-N295 PolarHBondContact O-ND2 3.14Å; Q292-N295 PolarHBondContact O-N 3.49Å; N295-C297 PolarHBondContact O-N 2.73Å |
| 296 | D | 91.1 | Very high | 88.7 | Confident | 95 Ų | 95 | 60.8 Ų | 60.8 | 51% | 0.508 | 29% | 0.287 | S | S | . | . | trans | 41.3 | 58.8 | -178.9 | -172 | 34.2 | 0 | 0 | 0 | 113.9 | Q187 | Q187-D296 HydrophobicContact CB-CB 4.33Š| ||
| 297 | C | 94 | Very high | 89.2 | Confident | 27 Ų | 27 | 62 Ų | 62 | 18% | 0.182 | 29% | 0.292 | C | S | . | . | trans | -81.6 | 137 | -172.4 | -64.4 | 0 | 0 | 0 | 0 | 113.5 | P69 T184 V185 C186 N295 | P69-C297 HydrophobicContact CG-CB 4.11Å; T184-C297 HydrophobicContact CG2-CB 4.02Å; V185-C297 CarbonylContact O-C 3.57Å; V185-C297 WeakPolarHBondContact O-CA 3.41Å; C186-C297 HydrophobicContact CB-CB 4.15Å; C186-C297 WeakPolarHBondContact CB-SG 3.38Å; C186-C297 WeakPolarHBondContact SG-CB 3.13Å; C186-C297 CovalentContact SG-SG 2.03Å; C186-C297 PolarHBondContact SG-SG 3.34Å; N295-C297 PolarHBondContact O-N 2.73Å | ||
| 298 | K | 94.5 | Very high | 89.7 | Confident | 69 Ų | 69 | 64.8 Ų | 64.8 | 30% | 0.3 | 31% | 0.305 | S | S | . | . | B | Isolated β-bridge | trans | -107.4 | 115.7 | 179 | -58.8 | 179.1 | -174.5 | -179.8 | 0 | 111.2 | V185 F301 | V185-K298 HydrophobicContact CB-CB 4.39Å; V185-K298 HydrophobicContact CG1-CB 4.48Å; V185-K298 PolarHBondContact O-N 2.81Å; K298-F301 HydrophobicContact CB-CB 4.28Å; K298-F301 HydrophobicContact CB-CD2 4.2Å; K298-F301 HydrophobicContact CD-CD2 3.85Å; K298-F301 HydrophobicContact CD-CE2 4.17Å |
| 299 | F | 94.1 | Very high | 90.4 | Very high | 106 Ų | 106 | 65.6 Ų | 65.6 | 47% | 0.465 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 146.3 | 176.4 | -62.7 | -87.2 | 0 | 0 | 0 | 112.1 | P69 H136 F301 | P69-F299 HydrophobicContact CB-CE1 3.93Å; P69-F299 HydrophobicContact CB-CZ 4.09Å; P69-F299 HydrophobicContact CG-CE1 3.95Å; P69-F299 HydrophobicContact CG-CZ 3.72Å; H136-F299 HydrophobicContact CB-CD1 3.81Å; H136-F299 HydrophobicContact CB-CE1 3.97Å; H136-F299 AromaticContact CG-CE1 3.87Å; H136-F299 AromaticContact ND1-CD1 3.83Å; H136-F299 AromaticContact ND1-CE1 3.57Å; H136-F299 CarbonylContact O-C 3.49Å; H136-F299 WeakPolarHBondContact O-CA 3.25Å; F299-F301 PolarHBondContact O-N 3.13Å; F299-F301 VanDerWaalsContact O-N 3.08Å |
| 300 | N | 95 | Very high | 91 | Very high | 85 Ų | 85 | 64.6 Ų | 64.6 | 46% | 0.455 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 27.7 | -179.7 | -63.6 | -52.3 | 0 | 0 | 0 | 113.8 | H136 S137 A302 K303 | H136-N300 PolarHBondContact O-N 3.27Å; S137-N300 CarbonylContact O-C 3.59Å; N300-A302 PolarHBondContact O-N 3.01Å; N300-K303 HydrophobicContact CB-CB 4.37Å; N300-K303 WeakPolarHBondContact O-CB 3.3Å; N300-K303 PolarHBondContact O-N 2.9Å |
| 301 | F | 96.7 | Very high | 91.3 | Very high | 6 Ų | 6 | 67.2 Ų | 67.2 | 3% | 0.026 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -48.8 | -176.7 | -179.8 | -86.6 | 0 | 0 | 0 | 111.7 | S137 V185 L207 Q208 D224 K298 F299 K303 R304 Y305 | S137-F301 PolarHBondContact O-N 2.67Å; S137-F301 VanDerWaalsContact O-N 3.16Å; V185-F301 HydrophobicContact CB-CB 4.06Å; V185-F301 HydrophobicContact CB-CG 4.23Å; V185-F301 HydrophobicContact CG1-CB 4.48Å; V185-F301 HydrophobicContact CG1-CD1 4.43Å; V185-F301 HydrophobicContact CG1-CD2 4.27Å; V185-F301 HydrophobicContact CG1-CG 4.13Å; V185-F301 HydrophobicContact CG2-CB 3.77Å; V185-F301 HydrophobicContact CG2-CD1 3.93Å; V185-F301 HydrophobicContact CG2-CG 3.94Å; L207-F301 HydrophobicContact CB-CD1 4.19Å; L207-F301 HydrophobicContact CB-CE1 4.24Å; L207-F301 WeakPolarHBondContact O-CE1 3.18Å; Q208-F301 HydrophobicContact CB-CE1 4.07Å; Q208-F301 HydrophobicContact CB-CZ 3.87Å; Q208-F301 HydrophobicContact CG-CE1 4.49Å; Q208-F301 HydrophobicContact CG-CE2 4.23Å; Q208-F301 HydrophobicContact CG-CZ 3.8Å; D224-F301 HydrophobicContact CB-CE1 4.34Å; D224-F301 HydrophobicContact CB-CZ 3.96Å; K298-F301 HydrophobicContact CB-CB 4.28Å; K298-F301 HydrophobicContact CB-CD2 4.2Å; K298-F301 HydrophobicContact CD-CD2 3.85Å; K298-F301 HydrophobicContact CD-CE2 4.17Å; F299-F301 PolarHBondContact O-N 3.13Å; F299-F301 VanDerWaalsContact O-N 3.08Å; F301-K303 VanDerWaalsContact C-N 3.27Å; F301-K303 PolarHBondContact O-N 3.28Å; F301-R304 WeakPolarHBondContact O-CB 3.4Å; F301-R304 PolarHBondContact O-N 3.13Å; F301-Y305 HydrophobicContact CD1-CD2 4.48Å; F301-Y305 HydrophobicContact CD1-CE2 4.18Å; F301-Y305 HydrophobicContact CE1-CD2 4.12Å; F301-Y305 AromaticContact CE1-CE2 3.59Å; F301-Y305 HydrophobicContact CE1-CE2 3.59Å; F301-Y305 HydrophobicContact CE2-CE2 4.11Å; F301-Y305 AromaticContact CZ-CE2 3.57Å; F301-Y305 HydrophobicContact CZ-CE2 3.57Å; F301-Y305 WeakPolarHBondContact O-CD2 3.27Å |
| 302 | A | 96.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -64.7 | -32.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S137 R139 Y142 L207 N300 R304 Y305 A306 | S137-A302 VanDerWaalsContact O-CB 3.29Å; S137-A302 WeakPolarHBondContact O-CB 3.15Å; S137-A302 PolarHBondContact O-N 3.06Å; R139-A302 HydrophobicContact CB-CB 4.49Å; Y142-A302 WeakPolarHBondContact CD2-O 3.11Å; L207-A302 HydrophobicContact CD1-CB 4.24Å; L207-A302 HydrophobicContact CD2-CB 3.59Å; N300-A302 PolarHBondContact O-N 3.01Å; A302-R304 PolarHBondContact O-N 3.11Å; A302-R304 VanDerWaalsContact O-N 3.15Å; A302-Y305 PolarHBondContact O-N 3.17Å; A302-Y305 VanDerWaalsContact O-N 3.16Å; A302-A306 PolarHBondContact O-N 3.19Å |
| 303 | K | 92.9 | Very high | 92.3 | Very high | 126 Ų | 126 | 70.1 Ų | 70.1 | 55% | 0.548 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -61.3 | -23.9 | 179 | -171.4 | 174.6 | 178.6 | 178.7 | 0 | 113 | N300 F301 Y305 | N300-K303 HydrophobicContact CB-CB 4.37Å; N300-K303 WeakPolarHBondContact O-CB 3.3Å; N300-K303 PolarHBondContact O-N 2.9Å; F301-K303 VanDerWaalsContact C-N 3.27Å; F301-K303 PolarHBondContact O-N 3.28Å; K303-Y305 VanDerWaalsContact C-N 3.27Å; K303-Y305 PolarHBondContact O-N 3.29Å |
| 304 | R | 93.5 | Very high | 92.7 | Very high | 178 Ų | 178 | 64.5 Ų | 64.5 | 67% | 0.672 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -71.7 | -20.4 | 179.4 | -58.6 | 179.4 | -171.5 | -174.7 | 0.5 | 113.8 | F301 A302 | F301-R304 WeakPolarHBondContact O-CB 3.4Å; F301-R304 PolarHBondContact O-N 3.13Å; A302-R304 PolarHBondContact O-N 3.11Å; A302-R304 VanDerWaalsContact O-N 3.15Å |
| 305 | Y | 93.6 | Very high | 93 | Very high | 62 Ų | 62 | 67.7 Ų | 67.7 | 24% | 0.243 | 32% | 0.323 | C | S | . | . | trans | -112.1 | -1.1 | -177.1 | -58.6 | -88.7 | 0 | 0 | 0 | 112.5 | Y142 D224 S228 A229 F301 A302 K303 | Y142-Y305 WeakPolarHBondContact CE2-O 3.3Å; D224-Y305 HydrophobicContact CB-CE1 3.93Å; D224-Y305 HydrophobicContact CB-CE2 4.15Å; S228-Y305 CarbonylContact C-O 3.56Å; A229-Y305 PolarHBondContact N-O 3.31Å; F301-Y305 HydrophobicContact CD1-CD2 4.48Å; F301-Y305 HydrophobicContact CD1-CE2 4.18Å; F301-Y305 HydrophobicContact CE1-CD2 4.12Å; F301-Y305 AromaticContact CE1-CE2 3.59Å; F301-Y305 HydrophobicContact CE1-CE2 3.59Å; F301-Y305 HydrophobicContact CE2-CE2 4.11Å; F301-Y305 AromaticContact CZ-CE2 3.57Å; F301-Y305 HydrophobicContact CZ-CE2 3.57Å; F301-Y305 WeakPolarHBondContact O-CD2 3.27Å; A302-Y305 PolarHBondContact O-N 3.17Å; A302-Y305 VanDerWaalsContact O-N 3.16Å; K303-Y305 VanDerWaalsContact C-N 3.27Å; K303-Y305 PolarHBondContact O-N 3.29Å | ||
| 306 | A | 84.5 | Confident | 93.3 | Very high | 58 Ų | 58 | 73.8 Ų | 73.8 | 48% | 0.479 | 35% | 0.353 | S | S | . | . | trans | -67.5 | 0 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y142 A145 A302 | Y142-A306 HydrophobicContact CD2-CB 4.35Å; A145-A306 HydrophobicContact CB-CB 3.96Å; A145-A306 WeakPolarHBondContact CB-OXT 3.28Å; A302-A306 PolarHBondContact O-N 3.19Å |
Retrieved 306 of 306 residues in 245.2 ms
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