| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 33 | Very low | 58.9 | Low | 197 Ų | 197 | 94.5 Ų | 94.5 | 97% | 0.97 | 51% | 0.505 | S | S | * | . | 0 | 113.5 | 0 | -73.5 | 159.6 | -171.6 | 0 | 0 | 106 | Y3 | M1-Y3 HydrophobicContact CB-CD2 4.29Å; M1-Y3 HydrophobicContact CB-CE1 4.15Å; M1-Y3 HydrophobicContact CB-CE2 3.57Å; M1-Y3 VanDerWaalsContact CB-CZ 3.49Å; M1-Y3 VanDerWaalsContact O-CD2 3.26Å; M1-Y3 WeakPolarHBondContact O-CD2 3.26Å; M1-Y3 WeakPolarHBondContact O-CE2 3.43Å; M1-Y3 PolarHBondContact O-N 3.22Å; M1-Y3 PolarHBondContact SD-OH 2.84Å | |||
| 2 | S | 30 | Very low | 61.6 | Low | 127 Ų | 127 | 92.8 Ų | 92.8 | 89% | 0.888 | 50% | 0.496 | S | S | * | . | trans | -84.1 | 96.5 | -177.8 | 52.6 | 0 | 0 | 0 | 0 | 108.5 | S4 | S2-S4 PolarHBondContact O-N 3.25Š| ||
| 3 | Y | 43.1 | Very low | 64.1 | Low | 145 Ų | 145 | 86 Ų | 86 | 57% | 0.569 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -77.8 | 117.7 | 178.3 | -59.3 | -77.2 | 0 | 0 | 0 | 108.5 | M1 C5 | M1-Y3 HydrophobicContact CB-CD2 4.29Å; M1-Y3 HydrophobicContact CB-CE1 4.15Å; M1-Y3 HydrophobicContact CB-CE2 3.57Å; M1-Y3 VanDerWaalsContact CB-CZ 3.49Å; M1-Y3 VanDerWaalsContact O-CD2 3.26Å; M1-Y3 WeakPolarHBondContact O-CD2 3.26Å; M1-Y3 WeakPolarHBondContact O-CE2 3.43Å; M1-Y3 PolarHBondContact O-N 3.22Å; M1-Y3 PolarHBondContact SD-OH 2.84Å; Y3-C5 PolarHBondContact O-N 3.17Å |
| 4 | S | 46.7 | Very low | 66 | Low | 107 Ų | 107 | 88.9 Ų | 88.9 | 75% | 0.748 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -73 | 116.9 | 173.6 | 51.9 | 0 | 0 | 0 | 0 | 108.3 | S2 A6 | S2-S4 PolarHBondContact O-N 3.25Å; S4-A6 PolarHBondContact O-N 2.9Å; S4-A6 VanDerWaalsContact O-N 3.12Å |
| 5 | C | 52.8 | Low | 67.4 | Low | 21 Ų | 21 | 84.9 Ų | 84.9 | 14% | 0.142 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -48.7 | 118.7 | 167.9 | -179.5 | 0 | 0 | 0 | 0 | 108.7 | Y3 L7 V288 Y325 | Y3-C5 PolarHBondContact O-N 3.17Å; C5-L7 PolarHBondContact O-N 2.63Å; C5-V288 HydrophobicContact CB-CG2 4.28Å; C5-Y325 WeakPolarHBondContact SG-CD2 3.45Å; C5-Y325 WeakPolarHBondContact SG-CE2 3.42Å |
| 6 | A | 56.7 | Low | 69 | Low | 27 Ų | 27 | 80.4 Ų | 80.4 | 22% | 0.223 | 43% | 0.433 | C | S | . | . | trans | -69.7 | 95.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | S4 D322 Q324 | S4-A6 PolarHBondContact O-N 2.9Å; S4-A6 VanDerWaalsContact O-N 3.12Å; A6-D322 HydrophobicContact CB-CB 4.18Å; A6-D322 PolarHBondContact O-N 3.44Å; A6-Q324 HydrophobicContact CB-CB 4.34Å | ||
| 7 | L | 62.9 | Low | 70.3 | Confident | 35 Ų | 35 | 86.9 Ų | 86.9 | 18% | 0.183 | 46% | 0.459 | C | S | . | . | B | Isolated β-bridge | trans | -115.2 | 140.2 | 179.1 | -72.7 | 176.8 | 0 | 0 | 0 | 110 | C5 V288 Y307 H319 F321 | C5-L7 PolarHBondContact O-N 2.63Å; L7-V288 HydrophobicContact CD1-CB 3.96Å; L7-V288 HydrophobicContact CD1-CG1 3.42Å; L7-V288 VanDerWaalsContact CD1-CG1 3.42Å; L7-V288 HydrophobicContact CD1-CG2 3.28Å; L7-V288 HydrophobicContact CG-CG2 4.49Å; L7-Y307 HydrophobicContact CD1-CE1 4.06Å; L7-Y307 HydrophobicContact CD2-CE1 4.3Å; L7-H319 HydrophobicContact CD1-CB 4.33Å; L7-H319 HydrophobicContact CD2-CB 4.28Å; L7-F321 HydrophobicContact CD2-CD1 3.24Å; L7-F321 HydrophobicContact CD2-CE1 3.59Å; L7-F321 HydrophobicContact CD2-CG 4.13Å |
| 8 | Q | 67.3 | Low | 71.6 | Confident | 88 Ų | 88 | 90.5 Ų | 90.5 | 41% | 0.411 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 158.5 | 165.4 | -64.2 | -172.5 | -0.8 | 0 | 0 | 110.1 | P10 H320 D322 | Q8-P10 WeakPolarHBondContact O-CD 3.39Å; Q8-P10 VanDerWaalsContact O-N 3.12Å; Q8-H320 HydrophobicContact CB-CB 4.27Å; Q8-H320 PolarHBondContact N-O 3.19Å; Q8-D322 WeakPolarHBondContact CG-OD1 3.48Å; Q8-D322 PolarHBondContact N-OD2 2.97Å; Q8-D322 PolarHBondContact NE2-OD1 2.99Å |
| 9 | K | 78.3 | Confident | 72.7 | Confident | 192 Ų | 192 | 86.6 Ų | 86.6 | 84% | 0.835 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -54.3 | 122.9 | 174.9 | -172.6 | 179 | -179.8 | -176.3 | 0 | 108.8 | ||
| 10 | P | 86.7 | Confident | 73.9 | Confident | 53 Ų | 53 | 82.3 Ų | 82.3 | 34% | 0.344 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 141.7 | -175.1 | 24.4 | -32.7 | 0 | 0 | 0 | 111 | Q8 I318 | Q8-P10 WeakPolarHBondContact O-CD 3.39Å; Q8-P10 VanDerWaalsContact O-N 3.12Å; P10-I318 CarbonylContact C-O 3.6Å; P10-I318 WeakPolarHBondContact CA-O 3.28Å; P10-I318 WeakPolarHBondContact CB-O 3.43Å |
| 11 | I | 90.6 | Very high | 74.9 | Confident | 48 Ų | 48 | 79.5 Ų | 79.5 | 25% | 0.246 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 123.1 | 171.1 | -53.1 | 176.3 | 0 | 0 | 0 | 107.2 | L13 R317 I318 | I11-L13 HydrophobicContact CG2-CD2 4.06Å; I11-R317 WeakPolarHBondContact O-CA 3.42Å; I11-I318 HydrophobicContact CB-CB 4.24Å; I11-I318 PolarHBondContact N-O 3.46Å; I11-I318 PolarHBondContact O-N 3.39Å |
| 12 | L | 91.8 | Very high | 77.9 | Confident | 74 Ų | 74 | 71.6 Ų | 71.6 | 39% | 0.387 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 113.5 | -179.8 | -168.7 | 104.3 | 0 | 0 | 0 | 109.3 | Q14 Y315 R317 | L12-Q14 HydrophobicContact CD2-CG 3.56Å; L12-Q14 HydrophobicContact CG-CG 4.38Å; L12-Y315 HydrophobicContact CD1-CG 4.25Å; L12-Y315 HydrophobicContact CD2-CD1 4.14Å; L12-Y315 HydrophobicContact CD2-CE1 4.47Å; L12-Y315 HydrophobicContact CD2-CG 4.37Å; L12-Y315 HydrophobicContact CG-CD1 4.48Å; L12-Y315 HydrophobicContact CG-CG 4.43Å; L12-R317 HydrophobicContact CD1-CG 3.9Å |
| 13 | L | 93.1 | Very high | 81 | Confident | 4 Ų | 4 | 65.7 Ų | 65.7 | 2% | 0.021 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 115.5 | 176.4 | -47.6 | 179.9 | 0 | 0 | 0 | 109.1 | I11 W44 G49 T316 I318 | I11-L13 HydrophobicContact CG2-CD2 4.06Å; L13-W44 HydrophobicContact CB-CD2 4.17Å; L13-W44 HydrophobicContact CB-CE3 4.15Å; L13-W44 HydrophobicContact CB-CH2 4.31Å; L13-W44 HydrophobicContact CB-CZ2 4.32Å; L13-W44 HydrophobicContact CB-CZ3 4.2Å; L13-W44 HydrophobicContact CD1-CB 4.01Å; L13-W44 HydrophobicContact CD1-CD2 3.88Å; L13-W44 HydrophobicContact CD1-CE3 4.36Å; L13-W44 HydrophobicContact CD1-CG 3.69Å; L13-W44 HydrophobicContact CD2-CD2 4.42Å; L13-W44 HydrophobicContact CD2-CE3 4.06Å; L13-W44 HydrophobicContact CG-CD2 4.39Å; L13-W44 HydrophobicContact CG-CE3 4.42Å; L13-G49 VanDerWaalsContact CD2-CA 3.44Å; L13-G49 WeakPolarHBondContact CD2-O 3.21Å; L13-T316 HydrophobicContact CD1-CG2 3.79Å; L13-T316 HydrophobicContact CG-CG2 4.46Å; L13-T316 PolarHBondContact N-O 3.09Å; L13-T316 PolarHBondContact O-N 3.41Å; L13-I318 HydrophobicContact CD1-CD1 3.89Å; L13-I318 HydrophobicContact CD1-CG1 3.92Å; L13-I318 HydrophobicContact CD2-CD1 3.94Å; L13-I318 HydrophobicContact CD2-CG1 4.38Å; L13-I318 HydrophobicContact CG-CD1 4.19Å; L13-I318 HydrophobicContact CG-CG1 4.16Å |
| 14 | Q | 90.6 | Very high | 83.5 | Confident | 126 Ų | 126 | 61 Ų | 61 | 59% | 0.589 | 31% | 0.313 | S | S | * | . | trans | -107.8 | 104.3 | 176.5 | -58.4 | -168.7 | -20.5 | 0 | 0 | 109.4 | L12 Y315 | L12-Q14 HydrophobicContact CD2-CG 3.56Å; L12-Q14 HydrophobicContact CG-CG 4.38Å; Q14-Y315 HydrophobicContact CB-CD1 4.46Å; Q14-Y315 HydrophobicContact CB-CE1 4.36Å; Q14-Y315 HydrophobicContact CG-CD1 3.79Å; Q14-Y315 HydrophobicContact CG-CE1 3.7Å | ||
| 15 | G | 88.3 | Confident | 85.9 | Confident | 29 Ų | 29 | 56.8 Ų | 56.8 | 30% | 0.299 | 28% | 0.281 | S | S | . | . | trans | -156.1 | -6.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | N42 | G15-N42 VanDerWaalsContact C-ND2 3.32Å; G15-N42 PolarHBondContact O-ND2 3.39Å | ||
| 16 | H | 92.7 | Very high | 87.8 | Confident | 14 Ų | 14 | 55.9 Ų | 55.9 | 7% | 0.065 | 28% | 0.275 | C | S | . | . | trans | -110.8 | 142.9 | 174.1 | -69.5 | -69.6 | 0 | 0 | 0 | 109.5 | I20 S34 A36 D38 V40 N42 | H16-I20 HydrophobicContact CB-CD1 3.71Å; H16-I20 VanDerWaalsContact CD2-CD1 3.4Å; H16-I20 WeakPolarHBondContact CD2-CD1 3.25Å; H16-S34 PolarHBondContact CD2-OG 3.17Å; H16-S34 PolarHBondContact NE2-O 3.14Å; H16-S34 PolarHBondContact NE2-OG 3.08Å; H16-A36 HydrophobicContact CB-CB 3.94Å; H16-A36 WeakPolarHBondContact ND1-CB 3.4Å; H16-D38 WeakPolarHBondContact CA-OD2 3.44Å; H16-D38 VanDerWaalsContact CB-OD2 3.22Å; H16-D38 WeakPolarHBondContact CB-OD2 3.44Å; H16-D38 IonicContact CG-OD2 3.4Å; H16-D38 IonicContact ND1-OD2 2.83Å; H16-D38 PolarHBondContact ND1-OD2 2.98Å; H16-D38 VanDerWaalsContact ND1-OD2 3.17Å; H16-V40 PolarHBondContact CE1-O 3.48Å; H16-V40 VanDerWaalsContact CE1-O 3.31Å; H16-N42 PolarHBondContact CD2-ND2 3.2Å; H16-N42 PolarHBondContact CE1-ND2 3.45Å; H16-N42 PolarHBondContact ND1-ND2 2.88Å; H16-N42 PolarHBondContact NE2-ND2 2.97Å | ||
| 17 | E | 91 | Very high | 89.4 | Confident | 190 Ų | 190 | 59 Ų | 59 | 89% | 0.888 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -98 | -14.6 | 176 | -65.4 | -172.3 | 171.3 | 0 | 0 | 111.6 | D38 | E17-D38 PolarHBondContact N-OD2 3.38Š|
| 18 | R | 93.4 | Very high | 90.7 | Very high | 152 Ų | 152 | 64.4 Ų | 64.4 | 57% | 0.574 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -122.5 | 168.6 | 179.5 | -62.9 | 176.1 | 172.6 | -163.5 | -1.8 | 111.8 | I20 K37 D38 G314 | R18-I20 PolarHBondContact O-N 2.85Å; R18-K37 HydrophobicContact CB-CB 4Å; R18-K37 WeakPolarHBondContact CD-O 3.19Å; R18-K37 PolarHBondContact NH1-O 2.81Å; R18-D38 WeakPolarHBondContact CB-OD1 3.1Å; R18-D38 VanDerWaalsContact CD-OD1 3.26Å; R18-D38 WeakPolarHBondContact CD-OD1 3.46Å; R18-D38 WeakPolarHBondContact CG-OD1 3.48Å; R18-D38 PolarHBondContact N-OD1 2.82Å; R18-D38 PolarHBondContact N-OD2 2.89Å; R18-G314 WeakPolarHBondContact O-CA 3.33Å |
| 19 | S | 92.9 | Very high | 91.9 | Very high | 17 Ų | 17 | 60.2 Ų | 60.2 | 12% | 0.119 | 29% | 0.286 | C | S | . | . | trans | -49.4 | 130.1 | 179.5 | -47.8 | 0 | 0 | 0 | 0 | 112.7 | A36 K37 E312 | S19-A36 CarbonylContact O-C 3.59Å; S19-A36 VanDerWaalsContact O-CA 3.27Å; S19-A36 WeakPolarHBondContact O-CA 3.3Å; S19-A36 WeakPolarHBondContact O-CB 3.16Å; S19-K37 PolarHBondContact O-N 3.33Å; S19-E312 WeakPolarHBondContact CA-O 3.26Å; S19-E312 WeakPolarHBondContact CB-O 3.36Å; S19-E312 WeakPolarHBondContact OG-CG 3.42Å; S19-E312 PolarHBondContact OG-O 3.37Å | ||
| 20 | I | 96.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 135.9 | 173.9 | -52.3 | -55.4 | 0 | 0 | 0 | 108.7 | H16 R18 I23 V35 A36 N296 G311 | H16-I20 HydrophobicContact CB-CD1 3.71Å; H16-I20 VanDerWaalsContact CD2-CD1 3.4Å; H16-I20 WeakPolarHBondContact CD2-CD1 3.25Å; R18-I20 PolarHBondContact O-N 2.85Å; I20-I23 HydrophobicContact CG2-CD1 4.13Å; I20-I23 HydrophobicContact CG2-CG1 3.86Å; I20-V35 WeakPolarHBondContact CG2-O 3.15Å; I20-A36 HydrophobicContact CD1-CB 4.07Å; I20-N296 VanDerWaalsContact O-CB 3.26Å; I20-N296 WeakPolarHBondContact O-CB 3.47Å; I20-N296 PolarHBondContact O-ND2 3.39Å; I20-G311 PolarHBondContact N-O 3.17Å; I20-G311 VanDerWaalsContact N-O 3.09Å |
| 21 | T | 95 | Very high | 93.1 | Very high | 24 Ų | 24 | 52.2 Ų | 52.2 | 15% | 0.147 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | -44.4 | -179.9 | 46.4 | 0 | 0 | 0 | 0 | 111.2 | V35 A36 K37 L62 W63 | T21-V35 PolarHBondContact N-O 3.12Å; T21-V35 VanDerWaalsContact OG1-C 3.28Å; T21-V35 PolarHBondContact OG1-O 3Å; T21-V35 VanDerWaalsContact OG1-O 3.1Å; T21-A36 PolarHBondContact OG1-N 2.84Å; T21-K37 HydrophobicContact CG2-CG 3.77Å; T21-L62 WeakPolarHBondContact CB-O 3.34Å; T21-L62 WeakPolarHBondContact CG2-O 3.42Å; T21-L62 PolarHBondContact OG1-O 2.81Å; T21-W63 HydrophobicContact CG2-CE3 3.78Å; T21-W63 HydrophobicContact CG2-CZ3 3.93Å |
| 22 | Q | 95.4 | Very high | 93.4 | Very high | 31 Ų | 31 | 50 Ų | 50 | 15% | 0.145 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 149.3 | 177 | -162.7 | 173.1 | 16 | 0 | 0 | 111.6 | V35 V65 | Q22-V35 HydrophobicContact CB-CG2 3.72Å; Q22-V35 PolarHBondContact N-O 3.02Å; Q22-V35 WeakPolarHBondContact O-CG2 3.36Å; Q22-V35 PolarHBondContact O-N 2.88Å; Q22-V65 VanDerWaalsContact OE1-N 3.07Å; Q22-V65 PolarHBondContact OE1-O 2.95Å |
| 23 | I | 96.2 | Very high | 93.6 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 137 | 169.9 | -65.4 | 161.7 | 0 | 0 | 0 | 107.8 | I20 I32 F33 C297 A299 G310 T316 | I20-I23 HydrophobicContact CG2-CD1 4.13Å; I20-I23 HydrophobicContact CG2-CG1 3.86Å; I23-I32 HydrophobicContact CG2-CG2 3.62Å; I23-F33 WeakPolarHBondContact CA-O 3.33Å; I23-C297 VanDerWaalsContact CG1-SG 3.59Å; I23-A299 HydrophobicContact CG2-CB 4.23Å; I23-G310 VanDerWaalsContact CD1-CA 3.46Å; I23-T316 HydrophobicContact CD1-CG2 3.54Å; I23-T316 HydrophobicContact CG1-CG2 4.25Å |
| 24 | K | 95.7 | Very high | 93.7 | Very high | 47 Ų | 47 | 46.3 Ų | 46.3 | 20% | 0.204 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 139.8 | 172.4 | -78.7 | -66.6 | -168.6 | 168.5 | 0 | 110.5 | F33 V65 | K24-F33 PolarHBondContact N-O 2.83Å; K24-F33 PolarHBondContact O-N 3.08Å; K24-V65 HydrophobicContact CB-CG1 4.42Å; K24-V65 HydrophobicContact CG-CG1 4.48Å; K24-V65 VanDerWaalsContact CG-O 3.29Å; K24-V65 WeakPolarHBondContact CG-O 3.27Å |
| 25 | Y | 95.6 | Very high | 94 | Very high | 19 Ų | 19 | 40.3 Ų | 40.3 | 8% | 0.075 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 150.5 | 165.5 | -74.6 | -94.6 | 0 | 0 | 0 | 109.1 | L31 I32 A299 F300 H301 S308 | Y25-L31 WeakPolarHBondContact CA-O 3.46Å; Y25-I32 HydrophobicContact CD1-CD1 4.29Å; Y25-I32 HydrophobicContact CD1-CG1 3.6Å; Y25-I32 HydrophobicContact CE1-CD1 3.47Å; Y25-I32 VanDerWaalsContact CE1-CD1 3.47Å; Y25-I32 HydrophobicContact CE1-CG1 3.3Å; Y25-I32 HydrophobicContact CG-CG1 4.37Å; Y25-A299 HydrophobicContact CD2-CB 3.91Å; Y25-A299 HydrophobicContact CE2-CB 3.99Å; Y25-A299 WeakPolarHBondContact CE2-O 3.21Å; Y25-F300 WeakPolarHBondContact CD2-O 3.39Å; Y25-H301 HydrophobicContact CD1-CB 4.19Å; Y25-H301 AromaticContact CD1-CD2 3.74Å; Y25-H301 HydrophobicContact CE1-CB 3.85Å; Y25-H301 AromaticContact CE1-CD2 3.53Å; Y25-H301 AromaticContact CE1-CG 3.99Å; Y25-H301 HydrophobicContact CE2-CB 4.44Å; Y25-S308 WeakPolarHBondContact OH-CB 3.24Å; Y25-S308 PolarHBondContact OH-N 2.89Å; Y25-S308 PolarHBondContact OH-OG 2.68Å |
| 26 | N | 94.3 | Very high | 94.4 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.011 | 18% | 0.176 | C | C | . | . | trans | -73.7 | 172 | 161.6 | 76.6 | -39.8 | 0 | 0 | 0 | 111.2 | G29 D30 L31 F33 C67 T71 P302 | N26-G29 PolarHBondContact O-N 2.86Å; N26-G29 VanDerWaalsContact OD1-C 3.28Å; N26-G29 WeakPolarHBondContact OD1-CA 3.49Å; N26-G29 PolarHBondContact OD1-N 3.2Å; N26-D30 PolarHBondContact ND2-OD1 2.94Å; N26-D30 PolarHBondContact OD1-N 2.66Å; N26-D30 PolarHBondContact OD1-OD1 2.5Å; N26-L31 HydrophobicContact CB-CB 4.45Å; N26-L31 PolarHBondContact N-O 2.91Å; N26-L31 VanDerWaalsContact N-O 3.15Å; N26-L31 PolarHBondContact OD1-N 3.35Å; N26-L31 PolarHBondContact OD1-O 3.27Å; N26-F33 HydrophobicContact CB-CE2 4.15Å; N26-C67 VanDerWaalsContact CA-SG 3.54Å; N26-T71 HydrophobicContact CB-CG2 3.81Å; N26-T71 PolarHBondContact ND2-OG1 3.46Å; N26-T71 VanDerWaalsContact ND2-OG1 3.14Å; N26-P302 WeakPolarHBondContact O-CG 3.42Å | ||
| 27 | R | 89.7 | Confident | 94.5 | Very high | 93 Ų | 93 | 41.6 Ų | 41.6 | 35% | 0.351 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -69.4 | -36.1 | -175.3 | -170.9 | 63.3 | -178.4 | -166.4 | -1 | 113.3 | G29 W69 V205 P302 | R27-G29 PolarHBondContact O-N 3.16Å; R27-W69 HydrophobicContact CG-CE3 3.9Å; R27-W69 HydrophobicContact CG-CZ3 3.89Å; R27-W69 VanDerWaalsContact CZ-CH2 3.49Å; R27-V205 PolarHBondContact NH1-O 3.07Å; R27-V205 VanDerWaalsContact NH2-CG1 3.31Å; R27-V205 PolarHBondContact NH2-O 2.99Å; R27-P302 WeakPolarHBondContact O-CB 3.15Å; R27-P302 WeakPolarHBondContact O-CG 3.47Å |
| 28 | E | 90.8 | Very high | 94.5 | Very high | 148 Ų | 148 | 33.6 Ų | 33.6 | 69% | 0.692 | 15% | 0.151 | S | C | * | . | S | Bend | trans | -71.3 | -21.1 | 174.8 | -59 | -56.6 | 137.3 | 0 | 0 | 111.9 | D30 | E28-D30 PolarHBondContact O-N 3.15Š|
| 29 | G | 92 | Very high | 94.5 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | S | Bend | trans | 80.1 | -4.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | N26 R27 L31 S46 H301 | N26-G29 PolarHBondContact O-N 2.86Å; N26-G29 VanDerWaalsContact OD1-C 3.28Å; N26-G29 WeakPolarHBondContact OD1-CA 3.49Å; N26-G29 PolarHBondContact OD1-N 3.2Å; R27-G29 PolarHBondContact O-N 3.16Å; G29-L31 VanDerWaalsContact C-N 3.26Å; G29-L31 PolarHBondContact O-N 3.14Å; G29-S46 WeakPolarHBondContact O-CB 3.27Å; G29-S46 PolarHBondContact O-OG 3.2Å; G29-H301 VanDerWaalsContact C-NE2 3.27Å; G29-H301 WeakPolarHBondContact CA-NE2 3.25Å; G29-H301 PolarHBondContact O-CD2 2.82Å; G29-H301 PolarHBondContact O-NE2 3.34Å |
| 30 | D | 94 | Very high | 94.6 | Very high | 67 Ų | 67 | 30.1 Ų | 30.1 | 36% | 0.358 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -68.5 | -23 | 178.1 | 65.5 | -40.9 | 0 | 0 | 0 | 113.3 | N26 E28 Y45 S46 | N26-D30 PolarHBondContact ND2-OD1 2.94Å; N26-D30 PolarHBondContact OD1-N 2.66Å; N26-D30 PolarHBondContact OD1-OD1 2.5Å; E28-D30 PolarHBondContact O-N 3.15Å; D30-Y45 CarbonylContact O-C 3.56Å; D30-Y45 WeakPolarHBondContact O-CA 3.3Å; D30-S46 PolarHBondContact O-N 2.78Å; D30-S46 PolarHBondContact O-OG 2.88Å |
| 31 | L | 95.6 | Very high | 94.6 | Very high | 10 Ų | 10 | 30.3 Ų | 30.3 | 5% | 0.052 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 143.5 | -179.4 | -61.2 | -179 | 0 | 0 | 0 | 113.4 | Y25 N26 G29 F33 V43 W44 Y45 L52 T71 | Y25-L31 WeakPolarHBondContact CA-O 3.46Å; N26-L31 HydrophobicContact CB-CB 4.45Å; N26-L31 PolarHBondContact N-O 2.91Å; N26-L31 VanDerWaalsContact N-O 3.15Å; N26-L31 PolarHBondContact OD1-N 3.35Å; N26-L31 PolarHBondContact OD1-O 3.27Å; G29-L31 VanDerWaalsContact C-N 3.26Å; G29-L31 PolarHBondContact O-N 3.14Å; L31-F33 HydrophobicContact CB-CE2 4.41Å; L31-F33 HydrophobicContact CB-CZ 4.48Å; L31-F33 HydrophobicContact CD1-CZ 4.46Å; L31-V43 HydrophobicContact CB-CG1 4.39Å; L31-V43 HydrophobicContact CD1-CG1 4.39Å; L31-V43 HydrophobicContact CD2-CG1 4.29Å; L31-W44 CarbonylContact C-O 3.59Å; L31-W44 WeakPolarHBondContact CA-O 3.08Å; L31-Y45 HydrophobicContact CD2-CD1 3.62Å; L31-Y45 HydrophobicContact CD2-CE1 3.67Å; L31-Y45 HydrophobicContact CD2-CG 4.37Å; L31-L52 HydrophobicContact CD1-CD2 4.15Å; L31-L52 HydrophobicContact CD2-CD2 3.73Å; L31-T71 HydrophobicContact CD1-CG2 3.89Å |
| 32 | I | 96.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 124.1 | 172.2 | -59.3 | 174 | 0 | 0 | 0 | 108.6 | I23 Y25 V43 W44 I318 | I23-I32 HydrophobicContact CG2-CG2 3.62Å; Y25-I32 HydrophobicContact CD1-CD1 4.29Å; Y25-I32 HydrophobicContact CD1-CG1 3.6Å; Y25-I32 HydrophobicContact CE1-CD1 3.47Å; Y25-I32 VanDerWaalsContact CE1-CD1 3.47Å; Y25-I32 HydrophobicContact CE1-CG1 3.3Å; Y25-I32 HydrophobicContact CG-CG1 4.37Å; I32-V43 WeakPolarHBondContact O-CA 3.26Å; I32-W44 HydrophobicContact CB-CB 4.38Å; I32-W44 PolarHBondContact N-O 2.82Å; I32-W44 PolarHBondContact O-N 2.9Å; I32-I318 HydrophobicContact CD1-CD1 3.52Å; I32-I318 HydrophobicContact CD1-CG1 3.79Å |
| 33 | F | 96.6 | Very high | 94.6 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.009 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 126.2 | 168.6 | -58.3 | -81.5 | 0 | 0 | 0 | 109 | I23 K24 N26 L31 V43 Y55 V65 C67 V74 | I23-F33 WeakPolarHBondContact CA-O 3.33Å; K24-F33 PolarHBondContact N-O 2.83Å; K24-F33 PolarHBondContact O-N 3.08Å; N26-F33 HydrophobicContact CB-CE2 4.15Å; L31-F33 HydrophobicContact CB-CE2 4.41Å; L31-F33 HydrophobicContact CB-CZ 4.48Å; L31-F33 HydrophobicContact CD1-CZ 4.46Å; F33-V43 HydrophobicContact CD1-CB 4.35Å; F33-V43 HydrophobicContact CD1-CG1 4.02Å; F33-V43 HydrophobicContact CD1-CG2 3.61Å; F33-V43 HydrophobicContact CE1-CB 4.33Å; F33-V43 HydrophobicContact CE1-CG1 3.7Å; F33-V43 HydrophobicContact CE1-CG2 3.66Å; F33-V43 HydrophobicContact CZ-CG1 4.3Å; F33-Y55 HydrophobicContact CD1-CE2 4.21Å; F33-Y55 HydrophobicContact CE1-CE2 4.15Å; F33-V65 HydrophobicContact CB-CG1 4.03Å; F33-V65 HydrophobicContact CB-CG2 3.93Å; F33-V65 HydrophobicContact CG-CG2 4.44Å; F33-C67 HydrophobicContact CD2-CB 3.97Å; F33-C67 HydrophobicContact CE2-CB 3.51Å; F33-C67 HydrophobicContact CZ-CB 4.1Å; F33-V74 HydrophobicContact CD1-CG1 4.14Å; F33-V74 HydrophobicContact CD1-CG2 4.17Å; F33-V74 HydrophobicContact CE1-CG1 4.27Å; F33-V74 HydrophobicContact CE1-CG2 3.47Å; F33-V74 VanDerWaalsContact CE1-CG2 3.47Å; F33-V74 HydrophobicContact CZ-CG2 3.71Å |
| 34 | S | 96.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 132.3 | 173.3 | 68.4 | 0 | 0 | 0 | 0 | 110.6 | H16 N42 W44 | H16-S34 PolarHBondContact CD2-OG 3.17Å; H16-S34 PolarHBondContact NE2-O 3.14Å; H16-S34 PolarHBondContact NE2-OG 3.08Å; S34-N42 PolarHBondContact N-O 2.88Å; S34-N42 PolarHBondContact O-N 3.28Å; S34-W44 PolarHBondContact OG-NE1 3Å |
| 35 | V | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 150.7 | 172.7 | -69.6 | 0 | 0 | 0 | 0 | 110.6 | I20 T21 Q22 A41 L62 V65 | I20-V35 WeakPolarHBondContact CG2-O 3.15Å; T21-V35 PolarHBondContact N-O 3.12Å; T21-V35 VanDerWaalsContact OG1-C 3.28Å; T21-V35 PolarHBondContact OG1-O 3Å; T21-V35 VanDerWaalsContact OG1-O 3.1Å; Q22-V35 HydrophobicContact CB-CG2 3.72Å; Q22-V35 PolarHBondContact N-O 3.02Å; Q22-V35 WeakPolarHBondContact O-CG2 3.36Å; Q22-V35 PolarHBondContact O-N 2.88Å; V35-A41 HydrophobicContact CG1-CB 3.64Å; V35-L62 HydrophobicContact CB-CB 3.82Å; V35-L62 HydrophobicContact CB-CD2 4.32Å; V35-L62 HydrophobicContact CG1-CB 4.05Å; V35-L62 HydrophobicContact CG1-CD2 3.63Å; V35-V65 HydrophobicContact CB-CB 4.48Å; V35-V65 HydrophobicContact CB-CG1 4.38Å; V35-V65 HydrophobicContact CG1-CB 3.64Å; V35-V65 HydrophobicContact CG1-CG1 3.89Å; V35-V65 HydrophobicContact CG1-CG2 4.29Å; V35-V65 HydrophobicContact CG2-CB 3.99Å; V35-V65 HydrophobicContact CG2-CG1 3.68Å |
| 36 | A | 95.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 178 | -175.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | H16 S19 I20 T21 D38 L62 | H16-A36 HydrophobicContact CB-CB 3.94Å; H16-A36 WeakPolarHBondContact ND1-CB 3.4Å; S19-A36 CarbonylContact O-C 3.59Å; S19-A36 VanDerWaalsContact O-CA 3.27Å; S19-A36 WeakPolarHBondContact O-CA 3.3Å; S19-A36 WeakPolarHBondContact O-CB 3.16Å; I20-A36 HydrophobicContact CD1-CB 4.07Å; T21-A36 PolarHBondContact OG1-N 2.84Å; A36-D38 HydrophobicContact CB-CB 4.22Å; A36-D38 PolarHBondContact O-N 3.49Å; A36-D38 VanDerWaalsContact O-O 3.11Å; A36-L62 CarbonylContact C-O 3.34Å; A36-L62 PolarHBondContact O-N 2.77Å |
| 37 | K | 94.9 | Very high | 94.2 | Very high | 70 Ų | 70 | 34.7 Ų | 34.7 | 30% | 0.304 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -67.2 | 7.5 | 167.1 | -59.9 | 178.2 | -176 | 169 | 0 | 113.7 | R18 S19 T21 A61 | R18-K37 HydrophobicContact CB-CB 4Å; R18-K37 WeakPolarHBondContact CD-O 3.19Å; R18-K37 PolarHBondContact NH1-O 2.81Å; S19-K37 PolarHBondContact O-N 3.33Å; T21-K37 HydrophobicContact CG2-CG 3.77Å; K37-A61 HydrophobicContact CB-CB 4.23Å |
| 38 | D | 92.5 | Very high | 94.1 | Very high | 22 Ų | 22 | 33.9 Ų | 33.9 | 12% | 0.118 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -76 | 172.5 | 165.7 | -63.8 | -30 | 0 | 0 | 0 | 110.5 | H16 E17 R18 A36 V40 A61 L62 | H16-D38 WeakPolarHBondContact CA-OD2 3.44Å; H16-D38 VanDerWaalsContact CB-OD2 3.22Å; H16-D38 WeakPolarHBondContact CB-OD2 3.44Å; H16-D38 IonicContact CG-OD2 3.4Å; H16-D38 IonicContact ND1-OD2 2.83Å; H16-D38 PolarHBondContact ND1-OD2 2.98Å; H16-D38 VanDerWaalsContact ND1-OD2 3.17Å; E17-D38 PolarHBondContact N-OD2 3.38Å; R18-D38 WeakPolarHBondContact CB-OD1 3.1Å; R18-D38 VanDerWaalsContact CD-OD1 3.26Å; R18-D38 WeakPolarHBondContact CD-OD1 3.46Å; R18-D38 WeakPolarHBondContact CG-OD1 3.48Å; R18-D38 PolarHBondContact N-OD1 2.82Å; R18-D38 PolarHBondContact N-OD2 2.89Å; A36-D38 HydrophobicContact CB-CB 4.22Å; A36-D38 PolarHBondContact O-N 3.49Å; A36-D38 VanDerWaalsContact O-O 3.11Å; D38-V40 VanDerWaalsContact C-N 3.32Å; D38-A61 WeakPolarHBondContact O-CA 3.32Å; D38-L62 WeakPolarHBondContact O-CD1 3.46Å; D38-L62 PolarHBondContact O-N 3.39Å |
| 39 | T | 93.3 | Very high | 94.1 | Very high | 64 Ų | 64 | 27.4 Ų | 27.4 | 39% | 0.393 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -93 | 6.4 | 177.6 | 60.3 | 0 | 0 | 0 | 0 | 113.2 | H58 G60 | T39-H58 WeakPolarHBondContact CB-O 3.26Å; T39-H58 WeakPolarHBondContact O-CB 3.29Å; T39-G60 WeakPolarHBondContact CA-O 3.5Å |
| 40 | V | 93.9 | Very high | 94.1 | Very high | 32 Ų | 32 | 33.2 Ų | 33.2 | 19% | 0.194 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 134.1 | -171.3 | -177.4 | 0 | 0 | 0 | 0 | 108.9 | H16 D38 T54 N56 | H16-V40 PolarHBondContact CE1-O 3.48Å; H16-V40 VanDerWaalsContact CE1-O 3.31Å; D38-V40 VanDerWaalsContact C-N 3.32Å; V40-T54 HydrophobicContact CG1-CG2 4.42Å; V40-N56 VanDerWaalsContact CG1-OD1 3.3Å; V40-N56 WeakPolarHBondContact CG1-OD1 3.39Å; V40-N56 VanDerWaalsContact CG2-OD1 3.25Å; V40-N56 WeakPolarHBondContact CG2-OD1 2.85Å |
| 41 | A | 95.7 | Very high | 94.1 | Very high | 3 Ų | 3 | 36.7 Ų | 36.7 | 3% | 0.025 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 139.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | V35 T54 Y55 L62 T76 | V35-A41 HydrophobicContact CG1-CB 3.64Å; A41-T54 CarbonylContact O-C 3.51Å; A41-T54 VanDerWaalsContact O-CA 3.29Å; A41-T54 WeakPolarHBondContact O-CA 3.38Å; A41-Y55 HydrophobicContact CB-CD2 3.96Å; A41-Y55 PolarHBondContact N-O 3.2Å; A41-Y55 PolarHBondContact O-N 2.92Å; A41-L62 HydrophobicContact CB-CD2 3.83Å; A41-T76 HydrophobicContact CB-CG2 4.37Å |
| 42 | N | 95.9 | Very high | 94 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 147.3 | 175.4 | -69.6 | -49.1 | 0 | 0 | 0 | 110.3 | G15 H16 S34 W44 T54 | G15-N42 VanDerWaalsContact C-ND2 3.32Å; G15-N42 PolarHBondContact O-ND2 3.39Å; H16-N42 PolarHBondContact CD2-ND2 3.2Å; H16-N42 PolarHBondContact CE1-ND2 3.45Å; H16-N42 PolarHBondContact ND1-ND2 2.88Å; H16-N42 PolarHBondContact NE2-ND2 2.97Å; S34-N42 PolarHBondContact N-O 2.88Å; S34-N42 PolarHBondContact O-N 3.28Å; N42-W44 HydrophobicContact CB-CZ2 3.72Å; N42-W44 VanDerWaalsContact CB-NE1 3.32Å; N42-T54 WeakPolarHBondContact OD1-CG2 3.19Å |
| 43 | V | 96.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 133.8 | 173.8 | -167.7 | 0 | 0 | 0 | 0 | 109.2 | L31 I32 F33 R51 L52 G53 Y55 | L31-V43 HydrophobicContact CB-CG1 4.39Å; L31-V43 HydrophobicContact CD1-CG1 4.39Å; L31-V43 HydrophobicContact CD2-CG1 4.29Å; I32-V43 WeakPolarHBondContact O-CA 3.26Å; F33-V43 HydrophobicContact CD1-CB 4.35Å; F33-V43 HydrophobicContact CD1-CG1 4.02Å; F33-V43 HydrophobicContact CD1-CG2 3.61Å; F33-V43 HydrophobicContact CE1-CB 4.33Å; F33-V43 HydrophobicContact CE1-CG1 3.7Å; F33-V43 HydrophobicContact CE1-CG2 3.66Å; F33-V43 HydrophobicContact CZ-CG1 4.3Å; V43-R51 WeakPolarHBondContact O-CG 3.46Å; V43-L52 HydrophobicContact CB-CB 4.34Å; V43-L52 HydrophobicContact CG1-CB 4.3Å; V43-L52 HydrophobicContact CG1-CD2 4.09Å; V43-L52 PolarHBondContact O-N 3.22Å; V43-G53 PolarHBondContact N-O 3.03Å; V43-G53 PolarHBondContact O-N 3.3Å; V43-Y55 HydrophobicContact CG2-CD2 4.2Å; V43-Y55 HydrophobicContact CG2-CE1 4.19Å; V43-Y55 HydrophobicContact CG2-CE2 3.43Å; V43-Y55 VanDerWaalsContact CG2-CE2 3.43Å; V43-Y55 VanDerWaalsContact CG2-CZ 3.44Å; V43-Y55 WeakPolarHBondContact CG2-OH 3.42Å |
| 44 | W | 96.1 | Very high | 93.8 | Very high | 12 Ų | 12 | 43 Ų | 43 | 5% | 0.045 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 148.2 | -174.5 | -47 | 85.6 | 0 | 0 | 0 | 110.1 | L13 L31 I32 S34 N42 E50 R51 | L13-W44 HydrophobicContact CB-CD2 4.17Å; L13-W44 HydrophobicContact CB-CE3 4.15Å; L13-W44 HydrophobicContact CB-CH2 4.31Å; L13-W44 HydrophobicContact CB-CZ2 4.32Å; L13-W44 HydrophobicContact CB-CZ3 4.2Å; L13-W44 HydrophobicContact CD1-CB 4.01Å; L13-W44 HydrophobicContact CD1-CD2 3.88Å; L13-W44 HydrophobicContact CD1-CE3 4.36Å; L13-W44 HydrophobicContact CD1-CG 3.69Å; L13-W44 HydrophobicContact CD2-CD2 4.42Å; L13-W44 HydrophobicContact CD2-CE3 4.06Å; L13-W44 HydrophobicContact CG-CD2 4.39Å; L13-W44 HydrophobicContact CG-CE3 4.42Å; L31-W44 CarbonylContact C-O 3.59Å; L31-W44 WeakPolarHBondContact CA-O 3.08Å; I32-W44 HydrophobicContact CB-CB 4.38Å; I32-W44 PolarHBondContact N-O 2.82Å; I32-W44 PolarHBondContact O-N 2.9Å; S34-W44 PolarHBondContact OG-NE1 3Å; N42-W44 HydrophobicContact CB-CZ2 3.72Å; N42-W44 VanDerWaalsContact CB-NE1 3.32Å; W44-E50 CarbonylContact C-O 3.57Å; W44-E50 WeakPolarHBondContact CA-O 3.18Å; W44-R51 HydrophobicContact CD2-CB 4.35Å; W44-R51 HydrophobicContact CD2-CG 4.25Å; W44-R51 HydrophobicContact CE3-CB 3.59Å; W44-R51 HydrophobicContact CE3-CG 3.95Å; W44-R51 HydrophobicContact CH2-CB 4.15Å; W44-R51 HydrophobicContact CH2-CG 4.08Å; W44-R51 HydrophobicContact CZ2-CG 4.38Å; W44-R51 HydrophobicContact CZ3-CB 3.5Å; W44-R51 VanDerWaalsContact CZ3-CB 3.5Å; W44-R51 HydrophobicContact CZ3-CG 3.89Å |
| 45 | Y | 95 | Very high | 93.7 | Very high | 88 Ų | 88 | 43.2 Ų | 43.2 | 35% | 0.345 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 128.5 | 164.5 | -75.1 | -67.5 | 0 | 0 | 0 | 109.8 | D30 L31 V47 N48 G49 E50 L52 | D30-Y45 CarbonylContact O-C 3.56Å; D30-Y45 WeakPolarHBondContact O-CA 3.3Å; L31-Y45 HydrophobicContact CD2-CD1 3.62Å; L31-Y45 HydrophobicContact CD2-CE1 3.67Å; L31-Y45 HydrophobicContact CD2-CG 4.37Å; Y45-V47 VanDerWaalsContact C-N 3.3Å; Y45-V47 PolarHBondContact O-N 2.9Å; Y45-N48 WeakPolarHBondContact CB-OD1 3.49Å; Y45-G49 WeakPolarHBondContact O-CA 3.18Å; Y45-G49 PolarHBondContact O-N 3.45Å; Y45-E50 HydrophobicContact CD2-CB 4.36Å; Y45-E50 PolarHBondContact N-O 3.24Å; Y45-L52 HydrophobicContact CD2-CB 4.35Å; Y45-L52 HydrophobicContact CE2-CB 4.06Å; Y45-L52 HydrophobicContact CE2-CD1 3.83Å; Y45-L52 HydrophobicContact CE2-CG 4.43Å; Y45-L52 WeakPolarHBondContact OH-CD1 3.2Å |
| 46 | S | 92.2 | Very high | 93.6 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.014 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -30.3 | -178.1 | 66.1 | 0 | 0 | 0 | 0 | 113.1 | G29 D30 | G29-S46 WeakPolarHBondContact O-CB 3.27Å; G29-S46 PolarHBondContact O-OG 3.2Å; D30-S46 PolarHBondContact O-N 2.78Å; D30-S46 PolarHBondContact O-OG 2.88Å |
| 47 | V | 88.3 | Confident | 93.3 | Very high | 112 Ų | 112 | 49.6 Ų | 49.6 | 68% | 0.679 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -39.3 | -171.7 | -178.7 | 0 | 0 | 0 | 0 | 112.2 | Y45 | Y45-V47 VanDerWaalsContact C-N 3.3Å; Y45-V47 PolarHBondContact O-N 2.9Å |
| 48 | N | 88.2 | Confident | 93.3 | Very high | 75 Ų | 75 | 46.8 Ų | 46.8 | 40% | 0.401 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | -11.4 | -174.1 | 66.5 | 5.9 | 0 | 0 | 0 | 113.4 | Y45 E50 | Y45-N48 WeakPolarHBondContact CB-OD1 3.49Å; N48-E50 HydrophobicContact CB-CG 4.45Å; N48-E50 VanDerWaalsContact ND2-CD 3.25Å; N48-E50 WeakPolarHBondContact ND2-CG 3.37Å; N48-E50 PolarHBondContact ND2-OE2 2.73Å; N48-E50 PolarHBondContact O-N 3.21Å; N48-E50 WeakPolarHBondContact OD1-CB 3.19Å; N48-E50 PolarHBondContact OD1-N 2.89Å |
| 49 | G | 89.9 | Confident | 93.3 | Very high | 12 Ų | 12 | 51.2 Ų | 51.2 | 12% | 0.124 | 28% | 0.283 | C | S | . | . | trans | 71.8 | 13.1 | -176 | 0 | 0 | 0 | 0 | 0 | 114.7 | L13 Y45 | L13-G49 VanDerWaalsContact CD2-CA 3.44Å; L13-G49 WeakPolarHBondContact CD2-O 3.21Å; Y45-G49 WeakPolarHBondContact O-CA 3.18Å; Y45-G49 PolarHBondContact O-N 3.45Å | ||
| 50 | E | 92.8 | Very high | 93.3 | Very high | 123 Ų | 123 | 49 Ų | 49 | 58% | 0.575 | 27% | 0.272 | S | S | * | . | trans | -71.4 | 140.7 | 174.8 | -70.2 | -177.1 | 158.4 | 0 | 0 | 110.6 | W44 Y45 N48 L52 | W44-E50 CarbonylContact C-O 3.57Å; W44-E50 WeakPolarHBondContact CA-O 3.18Å; Y45-E50 HydrophobicContact CD2-CB 4.36Å; Y45-E50 PolarHBondContact N-O 3.24Å; N48-E50 HydrophobicContact CB-CG 4.45Å; N48-E50 VanDerWaalsContact ND2-CD 3.25Å; N48-E50 WeakPolarHBondContact ND2-CG 3.37Å; N48-E50 PolarHBondContact ND2-OE2 2.73Å; N48-E50 PolarHBondContact O-N 3.21Å; N48-E50 WeakPolarHBondContact OD1-CB 3.19Å; N48-E50 PolarHBondContact OD1-N 2.89Å; E50-L52 PolarHBondContact O-N 2.71Å | ||
| 51 | R | 94.8 | Very high | 93.4 | Very high | 139 Ų | 139 | 48.5 Ų | 48.5 | 53% | 0.525 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 115.9 | 177.2 | -165.5 | 169.7 | 62.1 | -179.5 | -4.2 | 109.6 | V43 W44 | V43-R51 WeakPolarHBondContact O-CG 3.46Å; W44-R51 HydrophobicContact CD2-CB 4.35Å; W44-R51 HydrophobicContact CD2-CG 4.25Å; W44-R51 HydrophobicContact CE3-CB 3.59Å; W44-R51 HydrophobicContact CE3-CG 3.95Å; W44-R51 HydrophobicContact CH2-CB 4.15Å; W44-R51 HydrophobicContact CH2-CG 4.08Å; W44-R51 HydrophobicContact CZ2-CG 4.38Å; W44-R51 HydrophobicContact CZ3-CB 3.5Å; W44-R51 VanDerWaalsContact CZ3-CB 3.5Å; W44-R51 HydrophobicContact CZ3-CG 3.89Å |
| 52 | L | 94 | Very high | 93.4 | Very high | 76 Ų | 76 | 48.3 Ų | 48.3 | 40% | 0.398 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | -46 | 173.4 | 176 | 58.2 | 0 | 0 | 0 | 110.8 | L31 V43 Y45 E50 | L31-L52 HydrophobicContact CD1-CD2 4.15Å; L31-L52 HydrophobicContact CD2-CD2 3.73Å; V43-L52 HydrophobicContact CB-CB 4.34Å; V43-L52 HydrophobicContact CG1-CB 4.3Å; V43-L52 HydrophobicContact CG1-CD2 4.09Å; V43-L52 PolarHBondContact O-N 3.22Å; Y45-L52 HydrophobicContact CD2-CB 4.35Å; Y45-L52 HydrophobicContact CE2-CB 4.06Å; Y45-L52 HydrophobicContact CE2-CD1 3.83Å; Y45-L52 HydrophobicContact CE2-CG 4.43Å; Y45-L52 WeakPolarHBondContact OH-CD1 3.2Å; E50-L52 PolarHBondContact O-N 2.71Å |
| 53 | G | 93.3 | Very high | 93.4 | Very high | 26 Ų | 26 | 51.7 Ų | 51.7 | 27% | 0.268 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -177 | -179 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V43 | V43-G53 PolarHBondContact N-O 3.03Å; V43-G53 PolarHBondContact O-N 3.3Å |
| 54 | T | 94.6 | Very high | 93.3 | Very high | 42 Ų | 42 | 51.7 Ų | 51.7 | 26% | 0.258 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 138.5 | 177.4 | 79.8 | 0 | 0 | 0 | 0 | 110.2 | V40 A41 N42 N56 | V40-T54 HydrophobicContact CG1-CG2 4.42Å; A41-T54 CarbonylContact O-C 3.51Å; A41-T54 VanDerWaalsContact O-CA 3.29Å; A41-T54 WeakPolarHBondContact O-CA 3.38Å; N42-T54 WeakPolarHBondContact OD1-CG2 3.19Å; T54-N56 PolarHBondContact OG1-ND2 3.25Å; T54-N56 VanDerWaalsContact OG1-ND2 3.11Å; T54-N56 PolarHBondContact OG1-OD1 3.48Å |
| 55 | Y | 94.6 | Very high | 93.3 | Very high | 5 Ų | 5 | 51.2 Ų | 51.2 | 2% | 0.02 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 104.7 | 175.5 | -54.2 | -40.4 | 0 | 0 | 0 | 109.4 | F33 A41 V43 V74 W86 C88 G91 | F33-Y55 HydrophobicContact CD1-CE2 4.21Å; F33-Y55 HydrophobicContact CE1-CE2 4.15Å; A41-Y55 HydrophobicContact CB-CD2 3.96Å; A41-Y55 PolarHBondContact N-O 3.2Å; A41-Y55 PolarHBondContact O-N 2.92Å; V43-Y55 HydrophobicContact CG2-CD2 4.2Å; V43-Y55 HydrophobicContact CG2-CE1 4.19Å; V43-Y55 HydrophobicContact CG2-CE2 3.43Å; V43-Y55 VanDerWaalsContact CG2-CE2 3.43Å; V43-Y55 VanDerWaalsContact CG2-CZ 3.44Å; V43-Y55 WeakPolarHBondContact CG2-OH 3.42Å; Y55-V74 HydrophobicContact CE2-CB 4.18Å; Y55-V74 HydrophobicContact CE2-CG1 4.04Å; Y55-V74 HydrophobicContact CE2-CG2 4.13Å; Y55-W86 HydrophobicContact CD1-CE3 4.43Å; Y55-W86 HydrophobicContact CD2-CG 4.43Å; Y55-W86 HydrophobicContact CG-CD2 4.23Å; Y55-W86 HydrophobicContact CG-CE3 4.29Å; Y55-W86 HydrophobicContact CG-CG 4.36Å; Y55-C88 WeakPolarHBondContact OH-CA 3.48Å; Y55-C88 PolarHBondContact OH-O 2.89Å; Y55-G91 VanDerWaalsContact CE1-CA 3.46Å |
| 56 | N | 93.1 | Very high | 93.4 | Very high | 100 Ų | 100 | 48.2 Ų | 48.2 | 54% | 0.535 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 129.6 | -178.9 | -62 | -48.8 | 0 | 0 | 0 | 109.9 | V40 T54 W86 | V40-N56 VanDerWaalsContact CG1-OD1 3.3Å; V40-N56 WeakPolarHBondContact CG1-OD1 3.39Å; V40-N56 VanDerWaalsContact CG2-OD1 3.25Å; V40-N56 WeakPolarHBondContact CG2-OD1 2.85Å; T54-N56 PolarHBondContact OG1-ND2 3.25Å; T54-N56 VanDerWaalsContact OG1-ND2 3.11Å; T54-N56 PolarHBondContact OG1-OD1 3.48Å; N56-W86 WeakPolarHBondContact O-CH2 3.41Å |
| 57 | G | 89.9 | Confident | 93.4 | Very high | 35 Ų | 35 | 48.7 Ų | 48.7 | 36% | 0.361 | 27% | 0.274 | S | S | . | . | trans | 163.1 | -27.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R84 | G57-R84 PolarHBondContact O-NH1 2.84Å; G57-R84 PolarHBondContact O-NH2 2.84Å | ||
| 58 | H | 94.2 | Very high | 93.6 | Very high | 10 Ų | 10 | 44 Ų | 44 | 5% | 0.046 | 25% | 0.245 | C | C | . | . | trans | -61.2 | 148.7 | 172.8 | -79.9 | -68.4 | 0 | 0 | 0 | 111.1 | T39 L62 T76 S78 D80 S82 R84 W86 | T39-H58 WeakPolarHBondContact CB-O 3.26Å; T39-H58 WeakPolarHBondContact O-CB 3.29Å; H58-L62 HydrophobicContact CB-CD1 3.97Å; H58-T76 PolarHBondContact NE2-OG1 3.18Å; H58-S78 VanDerWaalsContact CE1-CB 3.41Å; H58-S78 WeakPolarHBondContact CE1-CB 3.39Å; H58-S78 VanDerWaalsContact ND1-CB 3.26Å; H58-S78 WeakPolarHBondContact ND1-CB 3.15Å; H58-D80 WeakPolarHBondContact CA-OD2 3.07Å; H58-D80 IonicContact CE1-OD1 2.8Å; H58-D80 IonicContact CE1-OD2 3.49Å; H58-D80 IonicContact CG-OD2 3.96Å; H58-D80 IonicContact ND1-OD1 3.53Å; H58-D80 PolarHBondContact ND1-OD1 2.85Å; H58-D80 IonicContact ND1-OD2 3.73Å; H58-D80 PolarHBondContact ND1-OD2 3.28Å; H58-S82 PolarHBondContact CE1-OG 2.94Å; H58-S82 PolarHBondContact ND1-OG 3.33Å; H58-R84 WeakPolarHBondContact CE1-CD 3.45Å; H58-R84 PolarHBondContact CE1-NE 3.46Å; H58-R84 PolarHBondContact ND1-NE 2.81Å; H58-W86 AromaticContact CD2-CZ2 3.97Å | ||
| 59 | T | 94.1 | Very high | 93.6 | Very high | 116 Ų | 116 | 43.8 Ų | 43.8 | 71% | 0.712 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -110 | -5.4 | 178.3 | 54.8 | 0 | 0 | 0 | 0 | 112.3 | D80 | T59-D80 PolarHBondContact N-OD2 3.09Å; T59-D80 WeakPolarHBondContact OG1-CB 3.45Å |
| 60 | G | 93.3 | Very high | 93.6 | Very high | 17 Ų | 17 | 48.2 Ų | 48.2 | 18% | 0.175 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -129.3 | 178.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T39 | T39-G60 WeakPolarHBondContact CA-O 3.5Š|
| 61 | A | 95.1 | Very high | 93.5 | Very high | 21 Ų | 21 | 43.4 Ų | 43.4 | 17% | 0.174 | 24% | 0.239 | C | C | . | . | trans | -63.7 | 132.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | K37 D38 S78 A79 | K37-A61 HydrophobicContact CB-CB 4.23Å; D38-A61 WeakPolarHBondContact O-CA 3.32Å; A61-S78 WeakPolarHBondContact O-CA 3.36Å; A61-S78 PolarHBondContact O-OG 3.31Å; A61-A79 HydrophobicContact CB-CB 4.22Å; A61-A79 WeakPolarHBondContact O-CB 3.27Å; A61-A79 PolarHBondContact O-N 2.97Å | ||
| 62 | L | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 128.2 | 172.3 | -71.9 | 85.7 | 0 | 0 | 0 | 110.1 | T21 V35 A36 D38 A41 H58 T76 | T21-L62 WeakPolarHBondContact CB-O 3.34Å; T21-L62 WeakPolarHBondContact CG2-O 3.42Å; T21-L62 PolarHBondContact OG1-O 2.81Å; V35-L62 HydrophobicContact CB-CB 3.82Å; V35-L62 HydrophobicContact CB-CD2 4.32Å; V35-L62 HydrophobicContact CG1-CB 4.05Å; V35-L62 HydrophobicContact CG1-CD2 3.63Å; A36-L62 CarbonylContact C-O 3.34Å; A36-L62 PolarHBondContact O-N 2.77Å; D38-L62 WeakPolarHBondContact O-CD1 3.46Å; D38-L62 PolarHBondContact O-N 3.39Å; A41-L62 HydrophobicContact CB-CD2 3.83Å; H58-L62 HydrophobicContact CB-CD1 3.97Å; L62-T76 HydrophobicContact CD2-CG2 4Å |
| 63 | W | 95.3 | Very high | 93.3 | Very high | 74 Ų | 74 | 39.9 Ų | 39.9 | 28% | 0.28 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | -36.1 | 178.7 | -70.5 | 117 | 0 | 0 | 0 | 112.6 | T21 G77 | T21-W63 HydrophobicContact CG2-CE3 3.78Å; T21-W63 HydrophobicContact CG2-CZ3 3.93Å; W63-G77 PolarHBondContact N-O 2.83Å |
| 64 | C | 94.5 | Very high | 93.4 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.007 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 153.9 | -175.8 | 51.8 | 0 | 0 | 0 | 0 | 112.7 | T76 G77 R104 T105 C106 | C64-T76 WeakPolarHBondContact O-CA 3.4Å; C64-G77 PolarHBondContact N-O 2.83Å; C64-G77 PolarHBondContact O-N 2.79Å; C64-G77 VanDerWaalsContact SG-CA 3.6Å; C64-R104 PolarHBondContact SG-O 2.77Å; C64-T105 VanDerWaalsContact SG-CA 3.5Å; C64-C106 PolarHBondContact SG-N 2.85Å |
| 65 | V | 96.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 142.5 | 172.4 | 63.8 | 0 | 0 | 0 | 0 | 108.4 | Q22 K24 F33 V35 V74 L75 T76 | Q22-V65 VanDerWaalsContact OE1-N 3.07Å; Q22-V65 PolarHBondContact OE1-O 2.95Å; K24-V65 HydrophobicContact CB-CG1 4.42Å; K24-V65 HydrophobicContact CG-CG1 4.48Å; K24-V65 VanDerWaalsContact CG-O 3.29Å; K24-V65 WeakPolarHBondContact CG-O 3.27Å; F33-V65 HydrophobicContact CB-CG1 4.03Å; F33-V65 HydrophobicContact CB-CG2 3.93Å; F33-V65 HydrophobicContact CG-CG2 4.44Å; V35-V65 HydrophobicContact CB-CB 4.48Å; V35-V65 HydrophobicContact CB-CG1 4.38Å; V35-V65 HydrophobicContact CG1-CB 3.64Å; V35-V65 HydrophobicContact CG1-CG1 3.89Å; V35-V65 HydrophobicContact CG1-CG2 4.29Å; V35-V65 HydrophobicContact CG2-CB 3.99Å; V35-V65 HydrophobicContact CG2-CG1 3.68Å; V65-V74 HydrophobicContact CG2-CG1 3.67Å; V65-L75 CarbonylContact C-O 3.58Å; V65-L75 VanDerWaalsContact CA-O 3.31Å; V65-L75 WeakPolarHBondContact CA-O 3.42Å; V65-T76 HydrophobicContact CB-CG2 4.4Å; V65-T76 HydrophobicContact CG2-CG2 3.95Å |
| 66 | D | 95.7 | Very high | 93.6 | Very high | 25 Ų | 25 | 36.4 Ų | 36.4 | 13% | 0.134 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 156.1 | 168.2 | -156.4 | 36.6 | 0 | 0 | 0 | 109.7 | V74 L75 G107 F108 | D66-V74 WeakPolarHBondContact O-CG1 3.45Å; D66-L75 PolarHBondContact N-O 3.32Å; D66-L75 PolarHBondContact O-N 3.35Å; D66-G107 WeakPolarHBondContact OD2-CA 3.43Å; D66-F108 HydrophobicContact CB-CD2 4.17Å; D66-F108 PolarHBondContact OD2-N 2.91Å |
| 67 | C | 94.2 | Very high | 93.7 | Very high | 12 Ų | 12 | 31.7 Ų | 31.7 | 8% | 0.081 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 147.5 | 178.4 | 60.4 | 0 | 0 | 0 | 0 | 110.2 | N26 F33 V74 F108 | N26-C67 VanDerWaalsContact CA-SG 3.54Å; F33-C67 HydrophobicContact CD2-CB 3.97Å; F33-C67 HydrophobicContact CE2-CB 3.51Å; F33-C67 HydrophobicContact CZ-CB 4.1Å; C67-V74 HydrophobicContact CB-CG2 4.48Å; C67-F108 VanDerWaalsContact C-CD2 3.48Å |
| 68 | D | 92.1 | Very high | 94 | Very high | 13 Ų | 13 | 30 Ų | 30 | 7% | 0.07 | 16% | 0.157 | C | C | . | . | trans | -66 | 157.3 | 174 | -167.7 | 4.8 | 0 | 0 | 0 | 111.2 | D70 T71 N73 F108 G112 | D68-D70 VanDerWaalsContact C-N 3.26Å; D68-D70 PolarHBondContact O-N 3.45Å; D68-T71 PolarHBondContact O-N 3.11Å; D68-N73 HydrophobicContact CB-CB 4.09Å; D68-N73 WeakPolarHBondContact CB-O 3.41Å; D68-N73 PolarHBondContact N-O 3.36Å; D68-N73 PolarHBondContact OD2-ND2 2.88Å; D68-F108 HydrophobicContact CB-CD1 4.02Å; D68-F108 HydrophobicContact CB-CD2 4.5Å; D68-F108 HydrophobicContact CB-CE1 4Å; D68-F108 HydrophobicContact CB-CE2 4.46Å; D68-F108 HydrophobicContact CB-CG 4.28Å; D68-F108 HydrophobicContact CB-CZ 4.23Å; D68-G112 WeakPolarHBondContact OD1-CA 3.49Å | ||
| 69 | W | 88.2 | Confident | 94 | Very high | 72 Ų | 72 | 31.4 Ų | 31.4 | 27% | 0.273 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -38.7 | 178.6 | -81.8 | 76 | 0 | 0 | 0 | 112.4 | R27 T71 F110 | R27-W69 HydrophobicContact CG-CE3 3.9Å; R27-W69 HydrophobicContact CG-CZ3 3.89Å; R27-W69 VanDerWaalsContact CZ-CH2 3.49Å; W69-T71 PolarHBondContact O-N 3.22Å; W69-F110 HydrophobicContact CD2-CD2 4.33Å; W69-F110 HydrophobicContact CD2-CE2 4.37Å; W69-F110 AromaticContact CE2-CD2 3.61Å; W69-F110 AromaticContact CE2-CE2 3.97Å; W69-F110 HydrophobicContact CE3-CE2 4.22Å; W69-F110 AromaticContact CH2-CD2 3.65Å; W69-F110 HydrophobicContact CH2-CD2 3.65Å; W69-F110 AromaticContact CH2-CE2 3.25Å; W69-F110 HydrophobicContact CH2-CE2 3.25Å; W69-F110 HydrophobicContact CH2-CZ 4.25Å; W69-F110 AromaticContact CZ2-CD2 3.25Å; W69-F110 HydrophobicContact CZ2-CD2 3.25Å; W69-F110 AromaticContact CZ2-CE2 3.42Å; W69-F110 HydrophobicContact CZ2-CE2 3.42Å; W69-F110 VanDerWaalsContact CZ2-CE2 3.42Å; W69-F110 HydrophobicContact CZ2-CG 4.34Å; W69-F110 HydrophobicContact CZ3-CD2 4.32Å; W69-F110 AromaticContact CZ3-CE2 3.67Å; W69-F110 HydrophobicContact CZ3-CE2 3.67Å; W69-F110 HydrophobicContact CZ3-CZ 4.26Å |
| 70 | D | 88.8 | Confident | 93.9 | Very high | 105 Ų | 105 | 27.5 Ų | 27.5 | 56% | 0.561 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -4.4 | 176.8 | -88 | 9.2 | 0 | 0 | 0 | 113.4 | D68 K72 | D68-D70 VanDerWaalsContact C-N 3.26Å; D68-D70 PolarHBondContact O-N 3.45Å; D70-K72 HydrophobicContact CB-CD 4.08Å; D70-K72 HydrophobicContact CB-CG 4.14Å; D70-K72 PolarHBondContact O-N 3.47Å; D70-K72 VanDerWaalsContact O-N 3.1Å; D70-K72 IonicContact OD2-NZ 2.67Å; D70-K72 PolarHBondContact OD2-NZ 3.29Å |
| 71 | T | 91.6 | Very high | 93.9 | Very high | 22 Ų | 22 | 29.3 Ų | 29.3 | 14% | 0.135 | 15% | 0.151 | C | C | . | . | S | Bend | trans | 56.4 | 21.6 | -173.6 | -43.8 | 0 | 0 | 0 | 0 | 113.8 | N26 L31 D68 W69 C88 | N26-T71 HydrophobicContact CB-CG2 3.81Å; N26-T71 PolarHBondContact ND2-OG1 3.46Å; N26-T71 VanDerWaalsContact ND2-OG1 3.14Å; L31-T71 HydrophobicContact CD1-CG2 3.89Å; D68-T71 PolarHBondContact O-N 3.11Å; W69-T71 PolarHBondContact O-N 3.22Å; T71-C88 WeakPolarHBondContact O-CB 3.4Å |
| 72 | K | 91.6 | Very high | 93.8 | Very high | 103 Ų | 103 | 28.5 Ų | 28.5 | 45% | 0.448 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -88 | -38.9 | 177.4 | -71 | 172.1 | -170.5 | 146.9 | 0 | 112.6 | D70 C88 | D70-K72 HydrophobicContact CB-CD 4.08Å; D70-K72 HydrophobicContact CB-CG 4.14Å; D70-K72 PolarHBondContact O-N 3.47Å; D70-K72 VanDerWaalsContact O-N 3.1Å; D70-K72 IonicContact OD2-NZ 2.67Å; D70-K72 PolarHBondContact OD2-NZ 3.29Å; K72-C88 WeakPolarHBondContact O-CB 3.22Å; K72-C88 PolarHBondContact O-N 3.29Å |
| 73 | N | 93.3 | Very high | 93.7 | Very high | 38 Ų | 38 | 28.6 Ų | 28.6 | 20% | 0.203 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 142.4 | -175.2 | -56.4 | -53.9 | 0 | 0 | 0 | 110.7 | D68 L85 W86 F108 | D68-N73 HydrophobicContact CB-CB 4.09Å; D68-N73 WeakPolarHBondContact CB-O 3.41Å; D68-N73 PolarHBondContact N-O 3.36Å; D68-N73 PolarHBondContact OD2-ND2 2.88Å; N73-L85 HydrophobicContact CB-CD1 4.07Å; N73-W86 CarbonylContact C-O 3.56Å; N73-W86 WeakPolarHBondContact CA-O 3.38Å; N73-F108 HydrophobicContact CB-CE1 4.25Å; N73-F108 HydrophobicContact CB-CZ 4.01Å |
| 74 | V | 95.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 135.1 | 174.3 | -177.1 | 0 | 0 | 0 | 0 | 108.5 | F33 Y55 V65 D66 C67 T76 L85 W86 C88 | F33-V74 HydrophobicContact CD1-CG1 4.14Å; F33-V74 HydrophobicContact CD1-CG2 4.17Å; F33-V74 HydrophobicContact CE1-CG1 4.27Å; F33-V74 HydrophobicContact CE1-CG2 3.47Å; F33-V74 VanDerWaalsContact CE1-CG2 3.47Å; F33-V74 HydrophobicContact CZ-CG2 3.71Å; Y55-V74 HydrophobicContact CE2-CB 4.18Å; Y55-V74 HydrophobicContact CE2-CG1 4.04Å; Y55-V74 HydrophobicContact CE2-CG2 4.13Å; V65-V74 HydrophobicContact CG2-CG1 3.67Å; D66-V74 WeakPolarHBondContact O-CG1 3.45Å; C67-V74 HydrophobicContact CB-CG2 4.48Å; V74-T76 HydrophobicContact CG1-CG2 4.43Å; V74-L85 CarbonylContact O-C 3.54Å; V74-L85 WeakPolarHBondContact O-CA 3.47Å; V74-W86 HydrophobicContact CB-CB 4.31Å; V74-W86 PolarHBondContact N-O 3.12Å; V74-W86 PolarHBondContact O-N 3.43Å; V74-C88 HydrophobicContact CG2-CB 3.94Å |
| 75 | L | 95.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 131 | 178.5 | -172 | 65.8 | 0 | 0 | 0 | 108.9 | V65 D66 C83 R84 L85 C106 F108 I115 | V65-L75 CarbonylContact C-O 3.58Å; V65-L75 VanDerWaalsContact CA-O 3.31Å; V65-L75 WeakPolarHBondContact CA-O 3.42Å; D66-L75 PolarHBondContact N-O 3.32Å; D66-L75 PolarHBondContact O-N 3.35Å; L75-C83 WeakPolarHBondContact CD1-SG 3.41Å; L75-R84 WeakPolarHBondContact CA-O 3.34Å; L75-L85 HydrophobicContact CD1-CD1 4.17Å; L75-C106 HydrophobicContact CD2-CB 3.7Å; L75-C106 HydrophobicContact CG-CB 4.06Å; L75-F108 HydrophobicContact CB-CD2 4.25Å; L75-F108 HydrophobicContact CB-CE2 3.36Å; L75-F108 HydrophobicContact CB-CZ 3.73Å; L75-F108 HydrophobicContact CD2-CE2 4.48Å; L75-I115 HydrophobicContact CD1-CD1 3.85Å; L75-I115 HydrophobicContact CD2-CB 3.77Å; L75-I115 HydrophobicContact CD2-CD1 3.97Å; L75-I115 HydrophobicContact CD2-CG1 4.43Å; L75-I115 HydrophobicContact CD2-CG2 3.94Å |
| 76 | T | 96.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 133.8 | 176.7 | 56.7 | 0 | 0 | 0 | 0 | 110.8 | A41 H58 L62 C64 V65 V74 C83 R84 W86 | A41-T76 HydrophobicContact CB-CG2 4.37Å; H58-T76 PolarHBondContact NE2-OG1 3.18Å; L62-T76 HydrophobicContact CD2-CG2 4Å; C64-T76 WeakPolarHBondContact O-CA 3.4Å; V65-T76 HydrophobicContact CB-CG2 4.4Å; V65-T76 HydrophobicContact CG2-CG2 3.95Å; V74-T76 HydrophobicContact CG1-CG2 4.43Å; T76-C83 WeakPolarHBondContact O-CA 3.44Å; T76-R84 PolarHBondContact N-O 3.5Å; T76-R84 PolarHBondContact O-N 2.99Å; T76-R84 PolarHBondContact OG1-O 2.94Å; T76-W86 PolarHBondContact OG1-NE1 3.42Å |
| 77 | G | 95.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 132.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | W63 C64 | W63-G77 PolarHBondContact N-O 2.83Å; C64-G77 PolarHBondContact N-O 2.83Å; C64-G77 PolarHBondContact O-N 2.79Å; C64-G77 VanDerWaalsContact SG-CA 3.6Å |
| 78 | S | 95.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 160.6 | -171.2 | 176.4 | 0 | 0 | 0 | 0 | 113.7 | H58 A61 D80 S82 V103 | H58-S78 VanDerWaalsContact CE1-CB 3.41Å; H58-S78 WeakPolarHBondContact CE1-CB 3.39Å; H58-S78 VanDerWaalsContact ND1-CB 3.26Å; H58-S78 WeakPolarHBondContact ND1-CB 3.15Å; A61-S78 WeakPolarHBondContact O-CA 3.36Å; A61-S78 PolarHBondContact O-OG 3.31Å; S78-D80 WeakPolarHBondContact CB-OD1 2.94Å; S78-D80 PolarHBondContact O-N 2.99Å; S78-D80 PolarHBondContact OG-N 3.31Å; S78-D80 VanDerWaalsContact OG-N 3.15Å; S78-D80 PolarHBondContact OG-OD1 2.91Å; S78-D80 VanDerWaalsContact OG-OD1 3.09Å; S78-D80 PolarHBondContact OG-OD2 2.63Å; S78-S82 PolarHBondContact N-O 3.36Å; S78-V103 PolarHBondContact O-N 3.36Å; S78-V103 VanDerWaalsContact O-N 3.07Å |
| 79 | A | 94.1 | Very high | 93.4 | Very high | 39 Ų | 39 | 34.4 Ų | 34.4 | 32% | 0.322 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -10.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A61 N81 | A61-A79 HydrophobicContact CB-CB 4.22Å; A61-A79 WeakPolarHBondContact O-CB 3.27Å; A61-A79 PolarHBondContact O-N 2.97Å; A79-N81 PolarHBondContact O-N 2.94Å |
| 80 | D | 92.9 | Very high | 93.5 | Very high | 34 Ų | 34 | 34.6 Ų | 34.6 | 18% | 0.182 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 11.9 | 175.6 | 66.1 | 10.9 | 0 | 0 | 0 | 113.7 | H58 T59 S78 S82 R84 | H58-D80 WeakPolarHBondContact CA-OD2 3.07Å; H58-D80 IonicContact CE1-OD1 2.8Å; H58-D80 IonicContact CE1-OD2 3.49Å; H58-D80 IonicContact CG-OD2 3.96Å; H58-D80 IonicContact ND1-OD1 3.53Å; H58-D80 PolarHBondContact ND1-OD1 2.85Å; H58-D80 IonicContact ND1-OD2 3.73Å; H58-D80 PolarHBondContact ND1-OD2 3.28Å; T59-D80 PolarHBondContact N-OD2 3.09Å; T59-D80 WeakPolarHBondContact OG1-CB 3.45Å; S78-D80 WeakPolarHBondContact CB-OD1 2.94Å; S78-D80 PolarHBondContact O-N 2.99Å; S78-D80 PolarHBondContact OG-N 3.31Å; S78-D80 VanDerWaalsContact OG-N 3.15Å; S78-D80 PolarHBondContact OG-OD1 2.91Å; S78-D80 VanDerWaalsContact OG-OD1 3.09Å; S78-D80 PolarHBondContact OG-OD2 2.63Å; D80-S82 VanDerWaalsContact CG-OG 3.26Å; D80-S82 PolarHBondContact O-N 2.89Å; D80-S82 WeakPolarHBondContact OD1-CB 3.14Å; D80-S82 PolarHBondContact OD1-N 2.95Å; D80-S82 PolarHBondContact OD1-OG 2.78Å; D80-S82 PolarHBondContact OD2-OG 2.94Å; D80-R84 IonicContact OD2-NH2 3.68Å |
| 81 | N | 92.8 | Very high | 93.6 | Very high | 56 Ų | 56 | 30.9 Ų | 30.9 | 30% | 0.299 | 17% | 0.169 | S | C | . | . | S | Bend | trans | 57.7 | 36.4 | -176.6 | -50.9 | -25.4 | 0 | 0 | 0 | 112.3 | A79 T99 S101 A102 | A79-N81 PolarHBondContact O-N 2.94Å; N81-T99 WeakPolarHBondContact CA-OG1 3.37Å; N81-T99 WeakPolarHBondContact CB-O 3.41Å; N81-T99 PolarHBondContact O-N 2.93Å; N81-T99 PolarHBondContact O-OG1 3.26Å; N81-S101 VanDerWaalsContact OD1-C 3.23Å; N81-A102 WeakPolarHBondContact OD1-CA 3.27Å; N81-A102 PolarHBondContact OD1-N 3.14Å |
| 82 | S | 93.3 | Very high | 93.7 | Very high | 4 Ų | 4 | 36.8 Ų | 36.8 | 3% | 0.028 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 144.2 | 170.2 | 73.7 | 0 | 0 | 0 | 0 | 111.7 | H58 S78 D80 R84 L97 | H58-S82 PolarHBondContact CE1-OG 2.94Å; H58-S82 PolarHBondContact ND1-OG 3.33Å; S78-S82 PolarHBondContact N-O 3.36Å; D80-S82 VanDerWaalsContact CG-OG 3.26Å; D80-S82 PolarHBondContact O-N 2.89Å; D80-S82 WeakPolarHBondContact OD1-CB 3.14Å; D80-S82 PolarHBondContact OD1-N 2.95Å; D80-S82 PolarHBondContact OD1-OG 2.78Å; D80-S82 PolarHBondContact OD2-OG 2.94Å; S82-R84 PolarHBondContact OG-NE 3.3Å; S82-L97 WeakPolarHBondContact CA-O 3.49Å |
| 83 | C | 94.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.007 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 128 | 163.4 | -159.5 | 0 | 0 | 0 | 0 | 107.3 | L75 T76 L97 V103 F117 | L75-C83 WeakPolarHBondContact CD1-SG 3.41Å; T76-C83 WeakPolarHBondContact O-CA 3.44Å; C83-L97 HydrophobicContact CB-CB 4.18Å; C83-L97 PolarHBondContact N-O 3.13Å; C83-L97 PolarHBondContact O-N 2.57Å; C83-V103 HydrophobicContact CB-CG2 4.11Å; C83-F117 HydrophobicContact CB-CD1 4.36Å; C83-F117 HydrophobicContact CB-CE1 4.46Å |
| 84 | R | 94.8 | Very high | 93.7 | Very high | 16 Ų | 16 | 38.3 Ų | 38.3 | 6% | 0.06 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 136.1 | -175.2 | -65.5 | -177.2 | -170 | -156.6 | 14.7 | 111.1 | G57 H58 L75 T76 D80 S82 W86 M96 | G57-R84 PolarHBondContact O-NH1 2.84Å; G57-R84 PolarHBondContact O-NH2 2.84Å; H58-R84 WeakPolarHBondContact CE1-CD 3.45Å; H58-R84 PolarHBondContact CE1-NE 3.46Å; H58-R84 PolarHBondContact ND1-NE 2.81Å; L75-R84 WeakPolarHBondContact CA-O 3.34Å; T76-R84 PolarHBondContact N-O 3.5Å; T76-R84 PolarHBondContact O-N 2.99Å; T76-R84 PolarHBondContact OG1-O 2.94Å; D80-R84 IonicContact OD2-NH2 3.68Å; S82-R84 PolarHBondContact OG-NE 3.3Å; R84-W86 HydrophobicContact CB-CZ2 4.02Å; R84-M96 HydrophobicContact CG-CE 4.47Å; R84-M96 VanDerWaalsContact NE-CE 3.26Å; R84-M96 VanDerWaalsContact NH2-CE 3.32Å |
| 85 | L | 94.6 | Very high | 93.4 | Very high | 16 Ų | 16 | 39 Ų | 39 | 8% | 0.084 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 130.6 | 173.2 | -166.4 | 72.7 | 0 | 0 | 0 | 108.7 | N73 V74 L75 L94 A95 F108 L134 | N73-L85 HydrophobicContact CB-CD1 4.07Å; V74-L85 CarbonylContact O-C 3.54Å; V74-L85 WeakPolarHBondContact O-CA 3.47Å; L75-L85 HydrophobicContact CD1-CD1 4.17Å; L85-L94 HydrophobicContact CD2-CB 4.34Å; L85-L94 HydrophobicContact CD2-CD1 4.39Å; L85-L94 HydrophobicContact CG-CB 4.49Å; L85-L94 PolarHBondContact O-N 2.63Å; L85-A95 HydrophobicContact CB-CB 3.99Å; L85-A95 PolarHBondContact N-O 2.76Å; L85-A95 PolarHBondContact O-N 3.26Å; L85-F108 HydrophobicContact CD1-CE1 4.27Å; L85-F108 HydrophobicContact CD1-CZ 3.77Å; L85-L134 HydrophobicContact CD1-CD1 4.43Å; L85-L134 HydrophobicContact CD2-CD1 4.41Å; L85-L134 HydrophobicContact CD2-CD2 4.1Å |
| 86 | W | 95.4 | Very high | 93.2 | Very high | 4 Ų | 4 | 42.3 Ų | 42.3 | 2% | 0.015 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 145.7 | -177.9 | -52.2 | 84.1 | 0 | 0 | 0 | 109.9 | Y55 N56 H58 N73 V74 T76 R84 K92 Q93 | Y55-W86 HydrophobicContact CD1-CE3 4.43Å; Y55-W86 HydrophobicContact CD2-CG 4.43Å; Y55-W86 HydrophobicContact CG-CD2 4.23Å; Y55-W86 HydrophobicContact CG-CE3 4.29Å; Y55-W86 HydrophobicContact CG-CG 4.36Å; N56-W86 WeakPolarHBondContact O-CH2 3.41Å; H58-W86 AromaticContact CD2-CZ2 3.97Å; N73-W86 CarbonylContact C-O 3.56Å; N73-W86 WeakPolarHBondContact CA-O 3.38Å; V74-W86 HydrophobicContact CB-CB 4.31Å; V74-W86 PolarHBondContact N-O 3.12Å; V74-W86 PolarHBondContact O-N 3.43Å; T76-W86 PolarHBondContact OG1-NE1 3.42Å; R84-W86 HydrophobicContact CB-CZ2 4.02Å; W86-K92 WeakPolarHBondContact CA-O 3.3Å; W86-Q93 HydrophobicContact CD2-CB 4.46Å; W86-Q93 HydrophobicContact CE3-CB 3.87Å; W86-Q93 HydrophobicContact CE3-CG 4.44Å; W86-Q93 HydrophobicContact CH2-CB 4.26Å; W86-Q93 HydrophobicContact CH2-CG 4.48Å; W86-Q93 HydrophobicContact CZ3-CB 3.76Å; W86-Q93 HydrophobicContact CZ3-CG 4.38Å |
| 87 | D | 94 | Very high | 92.9 | Very high | 34 Ų | 34 | 42.6 Ų | 42.6 | 18% | 0.182 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 123.3 | 164.5 | 176.7 | -12.4 | 0 | 0 | 0 | 108.5 | E89 T90 G91 K92 L94 | D87-E89 PolarHBondContact OD1-N 2.63Å; D87-T90 WeakPolarHBondContact CB-OG1 3.3Å; D87-T90 PolarHBondContact OD1-N 3.08Å; D87-T90 WeakPolarHBondContact OD2-CB 3.46Å; D87-T90 VanDerWaalsContact OD2-CG2 3.28Å; D87-T90 WeakPolarHBondContact OD2-CG2 3.48Å; D87-T90 PolarHBondContact OD2-OG1 2.84Å; D87-G91 WeakPolarHBondContact O-CA 2.93Å; D87-G91 PolarHBondContact O-N 3.46Å; D87-K92 PolarHBondContact N-O 3.06Å; D87-L94 HydrophobicContact CB-CD1 3.97Å; D87-L94 HydrophobicContact CB-CD2 4.03Å; D87-L94 HydrophobicContact CB-CG 3.92Å |
| 88 | C | 92.8 | Very high | 92.6 | Very high | 10 Ų | 10 | 47.1 Ų | 47.1 | 7% | 0.068 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -38.3 | -178 | -169.4 | 0 | 0 | 0 | 0 | 112.4 | Y55 T71 K72 V74 | Y55-C88 WeakPolarHBondContact OH-CA 3.48Å; Y55-C88 PolarHBondContact OH-O 2.89Å; T71-C88 WeakPolarHBondContact O-CB 3.4Å; K72-C88 WeakPolarHBondContact O-CB 3.22Å; K72-C88 PolarHBondContact O-N 3.29Å; V74-C88 HydrophobicContact CG2-CB 3.94Å |
| 89 | E | 90.2 | Very high | 92.3 | Very high | 168 Ų | 168 | 48.2 Ų | 48.2 | 79% | 0.785 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -43.1 | -175.1 | -64 | -176 | 179.5 | 0 | 0 | 111.4 | D87 | D87-E89 PolarHBondContact OD1-N 2.63Š|
| 90 | T | 90.4 | Very high | 91.8 | Very high | 77 Ų | 77 | 49.1 Ų | 49.1 | 47% | 0.472 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -17.3 | -175 | 69.2 | 0 | 0 | 0 | 0 | 113.8 | D87 K92 | D87-T90 WeakPolarHBondContact CB-OG1 3.3Å; D87-T90 PolarHBondContact OD1-N 3.08Å; D87-T90 WeakPolarHBondContact OD2-CB 3.46Å; D87-T90 VanDerWaalsContact OD2-CG2 3.28Å; D87-T90 WeakPolarHBondContact OD2-CG2 3.48Å; D87-T90 PolarHBondContact OD2-OG1 2.84Å; T90-K92 PolarHBondContact O-N 3.15Å; T90-K92 PolarHBondContact OG1-N 3.48Å |
| 91 | G | 90.3 | Very high | 91.7 | Very high | 26 Ų | 26 | 47.5 Ų | 47.5 | 27% | 0.268 | 25% | 0.253 | S | S | . | . | trans | 64.6 | 16.7 | -173 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y55 D87 | Y55-G91 VanDerWaalsContact CE1-CA 3.46Å; D87-G91 WeakPolarHBondContact O-CA 2.93Å; D87-G91 PolarHBondContact O-N 3.46Å | ||
| 92 | K | 93.4 | Very high | 91.7 | Very high | 147 Ų | 147 | 45 Ų | 45 | 64% | 0.639 | 24% | 0.24 | S | C | * | . | trans | -85.4 | 144.6 | 176.2 | -68.3 | -179.8 | 179.2 | 175.2 | 0 | 110.4 | W86 D87 T90 L94 | W86-K92 WeakPolarHBondContact CA-O 3.3Å; D87-K92 PolarHBondContact N-O 3.06Å; T90-K92 PolarHBondContact O-N 3.15Å; T90-K92 PolarHBondContact OG1-N 3.48Å; K92-L94 PolarHBondContact O-N 2.89Å | ||
| 93 | Q | 93.7 | Very high | 91.7 | Very high | 76 Ų | 76 | 44.8 Ų | 44.8 | 36% | 0.355 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 121.5 | 171.1 | -168 | -172 | -67.2 | 0 | 0 | 109.3 | W86 | W86-Q93 HydrophobicContact CD2-CB 4.46Å; W86-Q93 HydrophobicContact CE3-CB 3.87Å; W86-Q93 HydrophobicContact CE3-CG 4.44Å; W86-Q93 HydrophobicContact CH2-CB 4.26Å; W86-Q93 HydrophobicContact CH2-CG 4.48Å; W86-Q93 HydrophobicContact CZ3-CB 3.76Å; W86-Q93 HydrophobicContact CZ3-CG 4.38Å |
| 94 | L | 91.1 | Very high | 91.6 | Very high | 97 Ų | 97 | 47.7 Ų | 47.7 | 51% | 0.508 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | -43.9 | 176.5 | -65.3 | 176.2 | 0 | 0 | 0 | 111.2 | L85 D87 K92 | L85-L94 HydrophobicContact CD2-CB 4.34Å; L85-L94 HydrophobicContact CD2-CD1 4.39Å; L85-L94 HydrophobicContact CG-CB 4.49Å; L85-L94 PolarHBondContact O-N 2.63Å; D87-L94 HydrophobicContact CB-CD1 3.97Å; D87-L94 HydrophobicContact CB-CD2 4.03Å; D87-L94 HydrophobicContact CB-CG 3.92Å; K92-L94 PolarHBondContact O-N 2.89Å |
| 95 | A | 90.2 | Very high | 91.5 | Very high | 13 Ų | 13 | 47.4 Ų | 47.4 | 11% | 0.107 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 155.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L85 I140 | L85-A95 HydrophobicContact CB-CB 3.99Å; L85-A95 PolarHBondContact N-O 2.76Å; L85-A95 PolarHBondContact O-N 3.26Å; A95-I140 HydrophobicContact CB-CG2 3.55Å |
| 96 | M | 91.1 | Very high | 91.5 | Very high | 70 Ų | 70 | 47 Ų | 47 | 35% | 0.345 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 117.9 | 173.6 | 170.3 | -176.9 | -84.3 | 0 | 0 | 108.6 | R84 | R84-M96 HydrophobicContact CG-CE 4.47Å; R84-M96 VanDerWaalsContact NE-CE 3.26Å; R84-M96 VanDerWaalsContact NH2-CE 3.32Å |
| 97 | L | 90.8 | Very high | 91.4 | Very high | 6 Ų | 6 | 47 Ų | 47 | 3% | 0.031 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 119.3 | 174.7 | -58.1 | 173.7 | 0 | 0 | 0 | 107.9 | S82 C83 I115 F117 F132 I140 N143 | S82-L97 WeakPolarHBondContact CA-O 3.49Å; C83-L97 HydrophobicContact CB-CB 4.18Å; C83-L97 PolarHBondContact N-O 3.13Å; C83-L97 PolarHBondContact O-N 2.57Å; L97-I115 HydrophobicContact CD1-CD1 3.87Å; L97-F117 HydrophobicContact CD1-CE1 4.01Å; L97-F132 HydrophobicContact CD1-CD1 4.08Å; L97-F132 HydrophobicContact CD1-CD2 4.28Å; L97-F132 HydrophobicContact CD1-CE1 4.22Å; L97-F132 HydrophobicContact CD1-CE2 4.41Å; L97-F132 HydrophobicContact CD1-CG 4.1Å; L97-F132 HydrophobicContact CD1-CZ 4.37Å; L97-F132 HydrophobicContact CD2-CD1 4.06Å; L97-F132 HydrophobicContact CD2-CE1 3.75Å; L97-F132 HydrophobicContact CD2-CZ 4.31Å; L97-I140 HydrophobicContact CD2-CB 4.44Å; L97-I140 HydrophobicContact CD2-CG2 4.1Å; L97-N143 WeakPolarHBondContact CA-OD1 3.32Å |
| 98 | N | 90.1 | Very high | 91.4 | Very high | 96 Ų | 96 | 45.8 Ų | 45.8 | 51% | 0.513 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 126.2 | 179.6 | -69 | -48.5 | 0 | 0 | 0 | 109.2 | N143 | N98-N143 PolarHBondContact N-OD1 3.27Å; N98-N143 PolarHBondContact O-ND2 3.18Å; N98-N143 PolarHBondContact O-OD1 3.29Å |
| 99 | T | 87.2 | Confident | 91.4 | Very high | 22 Ų | 22 | 45.7 Ų | 45.7 | 14% | 0.135 | 24% | 0.242 | C | C | . | . | trans | -109 | 155.9 | 179.5 | 57.8 | 0 | 0 | 0 | 0 | 110.2 | N81 S101 V103 F117 | N81-T99 WeakPolarHBondContact CA-OG1 3.37Å; N81-T99 WeakPolarHBondContact CB-O 3.41Å; N81-T99 PolarHBondContact O-N 2.93Å; N81-T99 PolarHBondContact O-OG1 3.26Å; T99-S101 VanDerWaalsContact C-N 3.27Å; T99-S101 WeakPolarHBondContact CB-O 3.26Å; T99-S101 PolarHBondContact OG1-O 3.02Å; T99-V103 HydrophobicContact CG2-CG2 4.04Å; T99-F117 HydrophobicContact CG2-CD2 4.24Å; T99-F117 HydrophobicContact CG2-CE2 3.38Å; T99-F117 HydrophobicContact CG2-CZ 3.77Å | ||
| 100 | S | 84.8 | Confident | 91.1 | Very high | 59 Ų | 59 | 42.3 Ų | 42.3 | 41% | 0.413 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -75.8 | -19.2 | 176.3 | 54 | 0 | 0 | 0 | 0 | 112.9 | ||
| 101 | S | 90.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -144 | 171.2 | 177.7 | -161.3 | 0 | 0 | 0 | 0 | 111.2 | N81 T99 D120 Q122 | N81-S101 VanDerWaalsContact OD1-C 3.23Å; T99-S101 VanDerWaalsContact C-N 3.27Å; T99-S101 WeakPolarHBondContact CB-O 3.26Å; T99-S101 PolarHBondContact OG1-O 3.02Å; S101-D120 PolarHBondContact OG-O 3.03Å; S101-Q122 WeakPolarHBondContact OG-CG 3.38Å; S101-Q122 PolarHBondContact OG-OE1 3.4Å |
| 102 | A | 92 | Very high | 90.6 | Very high | 3 Ų | 3 | 41.2 Ų | 41.2 | 3% | 0.025 | 22% | 0.217 | C | C | . | . | trans | -61.3 | 142.8 | -177 | 0 | 0 | 0 | 0 | 0 | 111.3 | N81 T119 D120 | N81-A102 WeakPolarHBondContact OD1-CA 3.27Å; N81-A102 PolarHBondContact OD1-N 3.14Å; A102-T119 CarbonylContact O-C 3.51Å; A102-T119 WeakPolarHBondContact O-CA 3.48Å; A102-D120 HydrophobicContact CB-CB 4.44Å; A102-D120 PolarHBondContact O-N 2.96Å | ||
| 103 | V | 93.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 125.1 | 176 | -178 | 0 | 0 | 0 | 0 | 109 | S78 C83 T99 F117 S118 | S78-V103 PolarHBondContact O-N 3.36Å; S78-V103 VanDerWaalsContact O-N 3.07Å; C83-V103 HydrophobicContact CB-CG2 4.11Å; T99-V103 HydrophobicContact CG2-CG2 4.04Å; V103-F117 HydrophobicContact CG1-CB 3.86Å; V103-F117 HydrophobicContact CG1-CD2 4.37Å; V103-F117 HydrophobicContact CG1-CG 4.44Å; V103-F117 HydrophobicContact CG2-CD2 4.25Å; V103-S118 CarbonylContact C-O 3.53Å; V103-S118 WeakPolarHBondContact CA-O 3.45Å |
| 104 | R | 92.8 | Very high | 90.3 | Very high | 61 Ų | 61 | 35 Ų | 35 | 23% | 0.23 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -46.7 | -178.6 | -70.4 | -59.1 | -57 | 175 | 1.9 | 112.2 | C64 S118 D120 | C64-R104 PolarHBondContact SG-O 2.77Å; R104-S118 PolarHBondContact N-O 2.67Å; R104-D120 HydrophobicContact CG-CB 3.59Å |
| 105 | T | 93.1 | Very high | 90.4 | Very high | 10 Ų | 10 | 30.4 Ų | 30.4 | 6% | 0.061 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 153.4 | 174.7 | 58.5 | 0 | 0 | 0 | 0 | 111.4 | C64 F117 S118 T157 S158 | C64-T105 VanDerWaalsContact SG-CA 3.5Å; T105-F117 CarbonylContact O-C 3.52Å; T105-F117 WeakPolarHBondContact O-CA 3.42Å; T105-F117 WeakPolarHBondContact O-CB 3.3Å; T105-S118 PolarHBondContact N-OG 2.99Å; T105-S118 PolarHBondContact O-N 2.86Å; T105-S118 WeakPolarHBondContact OG1-CB 3.33Å; T105-S118 PolarHBondContact OG1-OG 3.17Å; T105-T157 WeakPolarHBondContact CG2-O 3.21Å; T105-S158 VanDerWaalsContact CG2-CA 3.44Å |
| 106 | C | 94.6 | Very high | 90.6 | Very high | 8 Ų | 8 | 29.8 Ų | 29.8 | 5% | 0.054 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 156.5 | 170.4 | 63.9 | 0 | 0 | 0 | 0 | 109.1 | C64 L75 M116 F117 | C64-C106 PolarHBondContact SG-N 2.85Å; L75-C106 HydrophobicContact CD2-CB 3.7Å; L75-C106 HydrophobicContact CG-CB 4.06Å; C106-M116 CarbonylContact C-O 3.6Å; C106-M116 WeakPolarHBondContact CA-O 3.11Å; C106-F117 HydrophobicContact CB-CB 4.09Å |
| 107 | G | 93.5 | Very high | 90.7 | Very high | 5 Ų | 5 | 26.6 Ų | 26.6 | 5% | 0.052 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.6 | 140.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | D66 M116 W161 | D66-G107 WeakPolarHBondContact OD2-CA 3.43Å; G107-M116 PolarHBondContact N-O 2.98Å; G107-M116 PolarHBondContact O-N 2.89Å; G107-W161 PolarHBondContact O-NE1 2.58Å |
| 108 | F | 93.6 | Very high | 90.8 | Very high | 8 Ų | 8 | 26.3 Ų | 26.3 | 4% | 0.035 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 140.5 | 170.4 | -76.3 | -91.3 | 0 | 0 | 0 | 111.4 | D66 C67 D68 N73 L75 L85 I115 L134 W161 | D66-F108 HydrophobicContact CB-CD2 4.17Å; D66-F108 PolarHBondContact OD2-N 2.91Å; C67-F108 VanDerWaalsContact C-CD2 3.48Å; D68-F108 HydrophobicContact CB-CD1 4.02Å; D68-F108 HydrophobicContact CB-CD2 4.5Å; D68-F108 HydrophobicContact CB-CE1 4Å; D68-F108 HydrophobicContact CB-CE2 4.46Å; D68-F108 HydrophobicContact CB-CG 4.28Å; D68-F108 HydrophobicContact CB-CZ 4.23Å; N73-F108 HydrophobicContact CB-CE1 4.25Å; N73-F108 HydrophobicContact CB-CZ 4.01Å; L75-F108 HydrophobicContact CB-CD2 4.25Å; L75-F108 HydrophobicContact CB-CE2 3.36Å; L75-F108 HydrophobicContact CB-CZ 3.73Å; L75-F108 HydrophobicContact CD2-CE2 4.48Å; L85-F108 HydrophobicContact CD1-CE1 4.27Å; L85-F108 HydrophobicContact CD1-CZ 3.77Å; F108-I115 HydrophobicContact CD1-CG2 3.5Å; F108-I115 VanDerWaalsContact CD1-CG2 3.5Å; F108-I115 HydrophobicContact CE1-CG2 3.42Å; F108-I115 VanDerWaalsContact CE1-CG2 3.42Å; F108-I115 HydrophobicContact CG-CG2 4.18Å; F108-I115 HydrophobicContact CZ-CG2 4.06Å; F108-L134 HydrophobicContact CE1-CD1 3.82Å; F108-W161 VanDerWaalsContact C-CD1 3.4Å; F108-W161 VanDerWaalsContact C-NE1 3.34Å; F108-W161 PolarHBondContact O-NE1 2.9Å |
| 109 | D | 91.4 | Very high | 90.9 | Very high | 8 Ų | 8 | 21.9 Ų | 21.9 | 4% | 0.043 | 12% | 0.122 | C | C | . | . | trans | -63 | 159.2 | 165.3 | 177.4 | 46.3 | 0 | 0 | 0 | 111.1 | S111 G112 I114 W161 G165 | D109-S111 PolarHBondContact O-N 2.9Å; D109-S111 VanDerWaalsContact O-N 3.15Å; D109-S111 VanDerWaalsContact OD2-CB 3.27Å; D109-S111 WeakPolarHBondContact OD2-CB 3.4Å; D109-S111 PolarHBondContact OD2-N 2.8Å; D109-S111 PolarHBondContact OD2-OG 3.32Å; D109-G112 PolarHBondContact O-N 3.42Å; D109-I114 HydrophobicContact CB-CB 3.91Å; D109-I114 WeakPolarHBondContact CB-O 3.23Å; D109-I114 PolarHBondContact N-O 3.44Å; D109-W161 HydrophobicContact CB-CD2 4.39Å; D109-W161 HydrophobicContact CB-CH2 4.35Å; D109-W161 HydrophobicContact CB-CZ2 4.13Å; D109-G165 WeakPolarHBondContact OD1-CA 3.34Å | ||
| 110 | F | 85.2 | Confident | 91 | Very high | 96 Ų | 96 | 21.8 Ų | 21.8 | 42% | 0.421 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -33.1 | 173.9 | -171.6 | -92.3 | 0 | 0 | 0 | 113.1 | W69 G112 L207 | W69-F110 HydrophobicContact CD2-CD2 4.33Å; W69-F110 HydrophobicContact CD2-CE2 4.37Å; W69-F110 AromaticContact CE2-CD2 3.61Å; W69-F110 AromaticContact CE2-CE2 3.97Å; W69-F110 HydrophobicContact CE3-CE2 4.22Å; W69-F110 AromaticContact CH2-CD2 3.65Å; W69-F110 HydrophobicContact CH2-CD2 3.65Å; W69-F110 AromaticContact CH2-CE2 3.25Å; W69-F110 HydrophobicContact CH2-CE2 3.25Å; W69-F110 HydrophobicContact CH2-CZ 4.25Å; W69-F110 AromaticContact CZ2-CD2 3.25Å; W69-F110 HydrophobicContact CZ2-CD2 3.25Å; W69-F110 AromaticContact CZ2-CE2 3.42Å; W69-F110 HydrophobicContact CZ2-CE2 3.42Å; W69-F110 VanDerWaalsContact CZ2-CE2 3.42Å; W69-F110 HydrophobicContact CZ2-CG 4.34Å; W69-F110 HydrophobicContact CZ3-CD2 4.32Å; W69-F110 AromaticContact CZ3-CE2 3.67Å; W69-F110 HydrophobicContact CZ3-CE2 3.67Å; W69-F110 HydrophobicContact CZ3-CZ 4.26Å; F110-G112 VanDerWaalsContact C-N 3.31Å; F110-L207 HydrophobicContact CD2-CD1 4.26Å |
| 111 | S | 84.9 | Confident | 91 | Very high | 74 Ų | 74 | 24.1 Ų | 24.1 | 52% | 0.517 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -7.9 | 180 | -42.5 | 0 | 0 | 0 | 0 | 113.7 | D109 N113 | D109-S111 PolarHBondContact O-N 2.9Å; D109-S111 VanDerWaalsContact O-N 3.15Å; D109-S111 VanDerWaalsContact OD2-CB 3.27Å; D109-S111 WeakPolarHBondContact OD2-CB 3.4Å; D109-S111 PolarHBondContact OD2-N 2.8Å; D109-S111 PolarHBondContact OD2-OG 3.32Å; S111-N113 PolarHBondContact O-N 2.85Å; S111-N113 PolarHBondContact O-ND2 3.21Å |
| 112 | G | 85.2 | Confident | 90.5 | Very high | 6 Ų | 6 | 28.1 Ų | 28.1 | 6% | 0.062 | 14% | 0.142 | C | C | . | . | S | Bend | trans | 70.7 | -8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | D68 D109 F110 | D68-G112 WeakPolarHBondContact OD1-CA 3.49Å; D109-G112 PolarHBondContact O-N 3.42Å; F110-G112 VanDerWaalsContact C-N 3.31Å |
| 113 | N | 88.6 | Confident | 89.5 | Confident | 59 Ų | 59 | 37.4 Ų | 37.4 | 32% | 0.316 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -84.5 | -29 | -174.9 | -64 | -54.7 | 0 | 0 | 0 | 113.3 | S111 L134 R135 | S111-N113 PolarHBondContact O-N 2.85Å; S111-N113 PolarHBondContact O-ND2 3.21Å; N113-L134 WeakPolarHBondContact O-CB 3.37Å; N113-L134 PolarHBondContact O-N 3.02Å; N113-R135 HydrophobicContact CB-CG 4.08Å |
| 114 | I | 91.5 | Very high | 88.4 | Confident | 34 Ų | 34 | 41.3 Ų | 41.3 | 17% | 0.174 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 135 | -177.3 | -60.9 | 171.3 | 0 | 0 | 0 | 107.9 | D109 Y131 F132 Y146 W161 | D109-I114 HydrophobicContact CB-CB 3.91Å; D109-I114 WeakPolarHBondContact CB-O 3.23Å; D109-I114 PolarHBondContact N-O 3.44Å; I114-Y131 HydrophobicContact CG2-CD1 4.42Å; I114-F132 WeakPolarHBondContact CA-O 3.1Å; I114-Y146 HydrophobicContact CG2-CE1 4.05Å; I114-W161 HydrophobicContact CG2-CH2 3.83Å; I114-W161 HydrophobicContact CG2-CZ2 3.89Å |
| 115 | I | 93 | Very high | 87.8 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 145.6 | 168.7 | 62.6 | 168.7 | 0 | 0 | 0 | 109.6 | L75 L97 F108 Y131 F132 L134 | L75-I115 HydrophobicContact CD1-CD1 3.85Å; L75-I115 HydrophobicContact CD2-CB 3.77Å; L75-I115 HydrophobicContact CD2-CD1 3.97Å; L75-I115 HydrophobicContact CD2-CG1 4.43Å; L75-I115 HydrophobicContact CD2-CG2 3.94Å; L97-I115 HydrophobicContact CD1-CD1 3.87Å; F108-I115 HydrophobicContact CD1-CG2 3.5Å; F108-I115 VanDerWaalsContact CD1-CG2 3.5Å; F108-I115 HydrophobicContact CE1-CG2 3.42Å; F108-I115 VanDerWaalsContact CE1-CG2 3.42Å; F108-I115 HydrophobicContact CG-CG2 4.18Å; F108-I115 HydrophobicContact CZ-CG2 4.06Å; I115-Y131 WeakPolarHBondContact O-CA 3.19Å; I115-F132 HydrophobicContact CD1-CB 4.13Å; I115-F132 HydrophobicContact CG1-CB 3.68Å; I115-F132 PolarHBondContact N-O 2.84Å; I115-F132 PolarHBondContact O-N 2.81Å; I115-L134 HydrophobicContact CD1-CD2 3.97Å; I115-L134 HydrophobicContact CG1-CD2 4.15Å; I115-L134 HydrophobicContact CG2-CD1 3.73Å; I115-L134 HydrophobicContact CG2-CD2 4.24Å; I115-L134 HydrophobicContact CG2-CG 4.02Å |
| 116 | M | 94.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 142.1 | 170.8 | 172.9 | -167.3 | 65.8 | 0 | 0 | 108.8 | C106 G107 L129 N130 Y131 A159 W161 V168 | C106-M116 CarbonylContact C-O 3.6Å; C106-M116 WeakPolarHBondContact CA-O 3.11Å; G107-M116 PolarHBondContact N-O 2.98Å; G107-M116 PolarHBondContact O-N 2.89Å; M116-L129 HydrophobicContact CG-CD1 3.61Å; M116-L129 HydrophobicContact CG-CG 3.98Å; M116-L129 HydrophobicContact SD-CD1 3.58Å; M116-L129 VanDerWaalsContact SD-CD1 3.58Å; M116-L129 HydrophobicContact SD-CD2 3.95Å; M116-L129 HydrophobicContact SD-CG 3.96Å; M116-N130 WeakPolarHBondContact CA-O 3.11Å; M116-Y131 HydrophobicContact CB-CD1 4.04Å; M116-Y131 HydrophobicContact CB-CE1 4.1Å; M116-Y131 HydrophobicContact CG-CD1 4.28Å; M116-Y131 HydrophobicContact CG-CE1 4.02Å; M116-Y131 HydrophobicContact SD-CE1 4.16Å; M116-A159 HydrophobicContact CE-CB 3.77Å; M116-A159 HydrophobicContact SD-CB 4.35Å; M116-W161 HydrophobicContact CB-CZ2 3.54Å; M116-V168 HydrophobicContact CE-CG1 3.83Å; M116-V168 HydrophobicContact CE-CG2 4.3Å; M116-V168 HydrophobicContact SD-CB 3.91Å; M116-V168 HydrophobicContact SD-CG1 3.28Å; M116-V168 WeakPolarHBondContact SD-CG1 3.39Å; M116-V168 HydrophobicContact SD-CG2 3.4Å; M116-V168 WeakPolarHBondContact SD-CG2 3.2Å |
| 117 | F | 94.3 | Very high | 87.1 | Confident | 3 Ų | 3 | 48.5 Ų | 48.5 | 1% | 0.013 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 149.4 | 162.7 | 63.8 | -95.7 | 0 | 0 | 0 | 112.1 | C83 L97 T99 V103 T105 C106 T119 N130 F132 | C83-F117 HydrophobicContact CB-CD1 4.36Å; C83-F117 HydrophobicContact CB-CE1 4.46Å; L97-F117 HydrophobicContact CD1-CE1 4.01Å; T99-F117 HydrophobicContact CG2-CD2 4.24Å; T99-F117 HydrophobicContact CG2-CE2 3.38Å; T99-F117 HydrophobicContact CG2-CZ 3.77Å; V103-F117 HydrophobicContact CG1-CB 3.86Å; V103-F117 HydrophobicContact CG1-CD2 4.37Å; V103-F117 HydrophobicContact CG1-CG 4.44Å; V103-F117 HydrophobicContact CG2-CD2 4.25Å; T105-F117 CarbonylContact O-C 3.52Å; T105-F117 WeakPolarHBondContact O-CA 3.42Å; T105-F117 WeakPolarHBondContact O-CB 3.3Å; C106-F117 HydrophobicContact CB-CB 4.09Å; F117-T119 HydrophobicContact CD2-CG2 4.44Å; F117-T119 HydrophobicContact CE2-CG2 4.25Å; F117-N130 HydrophobicContact CD2-CB 4.23Å; F117-N130 HydrophobicContact CE1-CB 4.19Å; F117-N130 HydrophobicContact CE2-CB 3.76Å; F117-N130 HydrophobicContact CZ-CB 3.76Å; F117-N130 PolarHBondContact N-O 3.25Å; F117-N130 PolarHBondContact O-N 2.83Å; F117-F132 HydrophobicContact CD1-CD2 4.3Å; F117-F132 AromaticContact CE1-CD2 3.38Å; F117-F132 HydrophobicContact CE1-CD2 3.38Å; F117-F132 AromaticContact CE1-CE2 3.28Å; F117-F132 HydrophobicContact CE1-CE2 3.28Å; F117-F132 HydrophobicContact CE1-CG 4.45Å; F117-F132 HydrophobicContact CE1-CZ 4.3Å; F117-F132 AromaticContact CZ-CD2 3.97Å; F117-F132 HydrophobicContact CZ-CD2 3.97Å; F117-F132 AromaticContact CZ-CE2 3.37Å; F117-F132 HydrophobicContact CZ-CE2 3.37Å; F117-F132 HydrophobicContact CZ-CZ 4.23Å |
| 118 | S | 93.5 | Very high | 86.9 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 140.3 | 176.8 | 67.6 | 0 | 0 | 0 | 0 | 111.1 | V103 R104 T105 F128 | V103-S118 CarbonylContact C-O 3.53Å; V103-S118 WeakPolarHBondContact CA-O 3.45Å; R104-S118 PolarHBondContact N-O 2.67Å; T105-S118 PolarHBondContact N-OG 2.99Å; T105-S118 PolarHBondContact O-N 2.86Å; T105-S118 WeakPolarHBondContact OG1-CB 3.33Å; T105-S118 PolarHBondContact OG1-OG 3.17Å; S118-F128 WeakPolarHBondContact CA-O 3.4Å |
| 119 | T | 91.9 | Very high | 86.8 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.012 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 144.6 | 172.7 | 62.9 | 0 | 0 | 0 | 0 | 111.1 | A102 F117 C127 F128 | A102-T119 CarbonylContact O-C 3.51Å; A102-T119 WeakPolarHBondContact O-CA 3.48Å; F117-T119 HydrophobicContact CD2-CG2 4.44Å; F117-T119 HydrophobicContact CE2-CG2 4.25Å; T119-C127 PolarHBondContact O-SG 3.04Å; T119-F128 PolarHBondContact N-O 3.26Å; T119-F128 PolarHBondContact OG1-N 3.29Å; T119-F128 PolarHBondContact OG1-O 3.37Å |
| 120 | D | 88.8 | Confident | 86.9 | Confident | 21 Ų | 21 | 50.8 Ų | 50.8 | 11% | 0.112 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 157.7 | 174.4 | -153.9 | -6.9 | 0 | 0 | 0 | 111.2 | S101 A102 R104 K155 | S101-D120 PolarHBondContact OG-O 3.03Å; A102-D120 HydrophobicContact CB-CB 4.44Å; A102-D120 PolarHBondContact O-N 2.96Å; R104-D120 HydrophobicContact CG-CB 3.59Å; D120-K155 WeakPolarHBondContact OD1-CD 3.43Å; D120-K155 IonicContact OD1-NZ 2.9Å; D120-K155 PolarHBondContact OD1-NZ 3.03Å; D120-K155 IonicContact OD2-NZ 3.25Å |
| 121 | K | 84.8 | Confident | 87.3 | Confident | 107 Ų | 107 | 46.2 Ų | 46.2 | 47% | 0.465 | 25% | 0.248 | S | C | . | . | trans | -88.5 | 112 | 168.4 | -176.5 | 178.3 | -179.9 | 172.6 | 0 | 108.5 | C127 K155 | K121-C127 HydrophobicContact CB-CB 4.25Å; K121-K155 HydrophobicContact CB-CB 3.84Å; K121-K155 HydrophobicContact CB-CD 4.14Å | ||
| 122 | Q | 78.9 | Confident | 87.6 | Confident | 84 Ų | 84 | 42.8 Ų | 42.8 | 39% | 0.393 | 22% | 0.224 | S | C | . | . | B | Isolated β-bridge | trans | -118.2 | 168.2 | 174.7 | -69.2 | 179.9 | -10.8 | 0 | 0 | 110.4 | S101 G124 Y125 | S101-Q122 WeakPolarHBondContact OG-CG 3.38Å; S101-Q122 PolarHBondContact OG-OE1 3.4Å; Q122-G124 PolarHBondContact O-N 2.86Å; Q122-Y125 PolarHBondContact N-O 3.15Å; Q122-Y125 PolarHBondContact O-N 2.82Å; Q122-Y125 VanDerWaalsContact O-O 3.06Å |
| 123 | M | 71.3 | Confident | 87.8 | Confident | 198 Ų | 198 | 43.7 Ų | 43.7 | 98% | 0.975 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 111.7 | -179.5 | -66.9 | -156.6 | -169.4 | 0 | 0 | 110.7 | ||
| 124 | G | 71.7 | Confident | 87.7 | Confident | 83 Ų | 83 | 42.5 Ų | 42.5 | 86% | 0.856 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 95.5 | -10.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q122 | Q122-G124 PolarHBondContact O-N 2.86Š|
| 125 | Y | 80.6 | Confident | 87.4 | Confident | 120 Ų | 120 | 48.6 Ų | 48.6 | 47% | 0.471 | 24% | 0.241 | S | C | . | . | B | Isolated β-bridge | trans | -117.3 | 132.1 | 179.3 | -64.5 | -74.4 | 0 | 0 | 0 | 111.6 | Q122 | Q122-Y125 PolarHBondContact N-O 3.15Å; Q122-Y125 PolarHBondContact O-N 2.82Å; Q122-Y125 VanDerWaalsContact O-O 3.06Å |
| 126 | Q | 84.4 | Confident | 87 | Confident | 108 Ų | 108 | 51.2 Ų | 51.2 | 51% | 0.505 | 26% | 0.255 | S | S | . | . | trans | -78.9 | 156.5 | 173.9 | -64.7 | -173.9 | -7.2 | 0 | 0 | 110.8 | F128 | Q126-F128 HydrophobicContact CB-CD2 4.46Å; Q126-F128 HydrophobicContact CB-CE1 4.38Å; Q126-F128 HydrophobicContact CB-CE2 3.77Å; Q126-F128 HydrophobicContact CB-CZ 3.72Å; Q126-F128 WeakPolarHBondContact O-CD2 3.25Å; Q126-F128 WeakPolarHBondContact O-CE2 3.48Å | ||
| 127 | C | 88 | Confident | 86.2 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.007 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 127.3 | 171.2 | 177.8 | 0 | 0 | 0 | 0 | 108.5 | T119 K121 C151 K155 I156 | T119-C127 PolarHBondContact O-SG 3.04Å; K121-C127 HydrophobicContact CB-CB 4.25Å; C127-C151 HydrophobicContact CB-CB 4.27Å; C127-C151 PolarHBondContact O-N 2.94Å; C127-K155 HydrophobicContact CB-CB 4.08Å; C127-I156 PolarHBondContact SG-N 3.44Å |
| 128 | F | 90.3 | Very high | 85.6 | Confident | 53 Ų | 53 | 60.9 Ų | 60.9 | 23% | 0.232 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 142.9 | 178 | -63.9 | -76 | 0 | 0 | 0 | 109.8 | S118 T119 Q126 T148 V149 P150 | S118-F128 WeakPolarHBondContact CA-O 3.4Å; T119-F128 PolarHBondContact N-O 3.26Å; T119-F128 PolarHBondContact OG1-N 3.29Å; T119-F128 PolarHBondContact OG1-O 3.37Å; Q126-F128 HydrophobicContact CB-CD2 4.46Å; Q126-F128 HydrophobicContact CB-CE1 4.38Å; Q126-F128 HydrophobicContact CB-CE2 3.77Å; Q126-F128 HydrophobicContact CB-CZ 3.72Å; Q126-F128 WeakPolarHBondContact O-CD2 3.25Å; Q126-F128 WeakPolarHBondContact O-CE2 3.48Å; F128-T148 HydrophobicContact CB-CG2 3.88Å; F128-T148 HydrophobicContact CD1-CG2 3.47Å; F128-T148 VanDerWaalsContact CD1-CG2 3.47Å; F128-T148 HydrophobicContact CE1-CG2 4.25Å; F128-T148 HydrophobicContact CG-CG2 3.89Å; F128-V149 WeakPolarHBondContact CA-O 3.46Å; F128-P150 HydrophobicContact CD1-CB 4.09Å; F128-P150 HydrophobicContact CE1-CB 3.9Å |
| 129 | L | 91.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 115.3 | 164.4 | -166.6 | 64.7 | 0 | 0 | 0 | 107.6 | M116 Y131 T148 V149 I156 V168 F180 | M116-L129 HydrophobicContact CG-CD1 3.61Å; M116-L129 HydrophobicContact CG-CG 3.98Å; M116-L129 HydrophobicContact SD-CD1 3.58Å; M116-L129 VanDerWaalsContact SD-CD1 3.58Å; M116-L129 HydrophobicContact SD-CD2 3.95Å; M116-L129 HydrophobicContact SD-CG 3.96Å; L129-Y131 HydrophobicContact CD2-CE2 4.06Å; L129-Y131 VanDerWaalsContact CD2-OH 3.23Å; L129-Y131 WeakPolarHBondContact CD2-OH 3.21Å; L129-Y131 HydrophobicContact CG-CE2 4.02Å; L129-T148 WeakPolarHBondContact O-CA 3.49Å; L129-V149 HydrophobicContact CB-CB 4.21Å; L129-V149 PolarHBondContact N-O 2.71Å; L129-V149 PolarHBondContact O-N 2.69Å; L129-I156 HydrophobicContact CB-CD1 4.17Å; L129-I156 HydrophobicContact CD1-CD1 4.18Å; L129-I156 HydrophobicContact CD2-CD1 4.41Å; L129-V168 HydrophobicContact CD2-CB 4.48Å; L129-V168 HydrophobicContact CD2-CG1 4.07Å; L129-F180 HydrophobicContact CD2-CD2 4.33Å; L129-F180 HydrophobicContact CD2-CG 4.48Å |
| 130 | N | 92.8 | Very high | 84.3 | Confident | 16 Ų | 16 | 64 Ų | 64 | 9% | 0.086 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 140.2 | -175.3 | -60.8 | -73.5 | 0 | 0 | 0 | 109.9 | M116 F117 F132 P145 T148 | M116-N130 WeakPolarHBondContact CA-O 3.11Å; F117-N130 HydrophobicContact CD2-CB 4.23Å; F117-N130 HydrophobicContact CE1-CB 4.19Å; F117-N130 HydrophobicContact CE2-CB 3.76Å; F117-N130 HydrophobicContact CZ-CB 3.76Å; F117-N130 PolarHBondContact N-O 3.25Å; F117-N130 PolarHBondContact O-N 2.83Å; N130-F132 HydrophobicContact CB-CE2 4.18Å; N130-P145 HydrophobicContact CB-CB 4.21Å; N130-P145 HydrophobicContact CB-CG 4.47Å; N130-T148 VanDerWaalsContact OD1-CG2 3.3Å; N130-T148 WeakPolarHBondContact OD1-CG2 3.25Å; N130-T148 PolarHBondContact OD1-OG1 2.58Å |
| 131 | Y | 92.4 | Very high | 83.8 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 132.7 | 175.9 | -58 | -97.4 | 0 | 0 | 0 | 109.7 | I114 I115 M116 L129 P145 Y146 L147 V149 W161 V168 A182 | I114-Y131 HydrophobicContact CG2-CD1 4.42Å; I115-Y131 WeakPolarHBondContact O-CA 3.19Å; M116-Y131 HydrophobicContact CB-CD1 4.04Å; M116-Y131 HydrophobicContact CB-CE1 4.1Å; M116-Y131 HydrophobicContact CG-CD1 4.28Å; M116-Y131 HydrophobicContact CG-CE1 4.02Å; M116-Y131 HydrophobicContact SD-CE1 4.16Å; L129-Y131 HydrophobicContact CD2-CE2 4.06Å; L129-Y131 VanDerWaalsContact CD2-OH 3.23Å; L129-Y131 WeakPolarHBondContact CD2-OH 3.21Å; L129-Y131 HydrophobicContact CG-CE2 4.02Å; Y131-P145 WeakPolarHBondContact O-CA 3.32Å; Y131-P145 WeakPolarHBondContact O-CB 3.35Å; Y131-Y146 VanDerWaalsContact CB-CE1 3.43Å; Y131-Y146 VanDerWaalsContact CB-CZ 3.43Å; Y131-Y146 WeakPolarHBondContact CB-OH 3.33Å; Y131-Y146 VanDerWaalsContact O-CD1 3.27Å; Y131-Y146 WeakPolarHBondContact O-CD1 3.23Å; Y131-Y146 PolarHBondContact O-N 2.9Å; Y131-Y146 VanDerWaalsContact O-N 3.14Å; Y131-L147 HydrophobicContact CD2-CB 4.03Å; Y131-L147 HydrophobicContact CD2-CD2 3.78Å; Y131-L147 HydrophobicContact CD2-CG 3.9Å; Y131-L147 HydrophobicContact CE2-CD2 3.98Å; Y131-L147 HydrophobicContact CE2-CG 4.38Å; Y131-L147 HydrophobicContact CG-CB 4.47Å; Y131-L147 HydrophobicContact CG-CD2 4.44Å; Y131-L147 PolarHBondContact N-O 3.36Å; Y131-V149 HydrophobicContact CE2-CG2 3.96Å; Y131-W161 AromaticContact CD1-CH2 3.59Å; Y131-W161 HydrophobicContact CD1-CH2 3.59Å; Y131-W161 AromaticContact CD1-CZ2 3.9Å; Y131-W161 HydrophobicContact CD1-CZ2 3.9Å; Y131-W161 AromaticContact CE1-CH2 3.51Å; Y131-W161 HydrophobicContact CE1-CH2 3.51Å; Y131-W161 AromaticContact CE1-CZ2 3.93Å; Y131-W161 HydrophobicContact CE1-CZ2 3.93Å; Y131-W161 HydrophobicContact CE1-CZ3 4.14Å; Y131-V168 HydrophobicContact CE1-CG2 3.78Å; Y131-V168 WeakPolarHBondContact OH-CG2 3.42Å; Y131-A182 HydrophobicContact CE1-CB 4.5Å |
| 132 | F | 91.3 | Very high | 83.6 | Confident | 3 Ų | 3 | 70.4 Ų | 70.4 | 1% | 0.013 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 138.3 | 177.2 | -79.2 | -105.4 | 0 | 0 | 0 | 109.5 | L97 I114 I115 F117 N130 Q139 P145 | L97-F132 HydrophobicContact CD1-CD1 4.08Å; L97-F132 HydrophobicContact CD1-CD2 4.28Å; L97-F132 HydrophobicContact CD1-CE1 4.22Å; L97-F132 HydrophobicContact CD1-CE2 4.41Å; L97-F132 HydrophobicContact CD1-CG 4.1Å; L97-F132 HydrophobicContact CD1-CZ 4.37Å; L97-F132 HydrophobicContact CD2-CD1 4.06Å; L97-F132 HydrophobicContact CD2-CE1 3.75Å; L97-F132 HydrophobicContact CD2-CZ 4.31Å; I114-F132 WeakPolarHBondContact CA-O 3.1Å; I115-F132 HydrophobicContact CD1-CB 4.13Å; I115-F132 HydrophobicContact CG1-CB 3.68Å; I115-F132 PolarHBondContact N-O 2.84Å; I115-F132 PolarHBondContact O-N 2.81Å; F117-F132 HydrophobicContact CD1-CD2 4.3Å; F117-F132 AromaticContact CE1-CD2 3.38Å; F117-F132 HydrophobicContact CE1-CD2 3.38Å; F117-F132 AromaticContact CE1-CE2 3.28Å; F117-F132 HydrophobicContact CE1-CE2 3.28Å; F117-F132 HydrophobicContact CE1-CG 4.45Å; F117-F132 HydrophobicContact CE1-CZ 4.3Å; F117-F132 AromaticContact CZ-CD2 3.97Å; F117-F132 HydrophobicContact CZ-CD2 3.97Å; F117-F132 AromaticContact CZ-CE2 3.37Å; F117-F132 HydrophobicContact CZ-CE2 3.37Å; F117-F132 HydrophobicContact CZ-CZ 4.23Å; N130-F132 HydrophobicContact CB-CE2 4.18Å; F132-Q139 HydrophobicContact CD1-CB 4.38Å; F132-P145 HydrophobicContact CD2-CB 3.82Å; F132-P145 HydrophobicContact CE1-CB 4.45Å; F132-P145 HydrophobicContact CE2-CB 3.45Å; F132-P145 VanDerWaalsContact CE2-CB 3.45Å; F132-P145 HydrophobicContact CE2-CG 4.04Å; F132-P145 HydrophobicContact CG-CB 4.47Å; F132-P145 HydrophobicContact CZ-CB 3.82Å; F132-P145 HydrophobicContact CZ-CG 4.15Å |
| 133 | D | 90.1 | Very high | 83.8 | Confident | 24 Ų | 24 | 68.9 Ų | 68.9 | 13% | 0.128 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 116.4 | 171.2 | -167.5 | -20 | 0 | 0 | 0 | 108.7 | R135 D136 Y146 | D133-R135 PolarHBondContact O-N 2.86Å; D133-R135 VanDerWaalsContact OD1-CB 3.28Å; D133-R135 WeakPolarHBondContact OD1-CB 3.4Å; D133-R135 WeakPolarHBondContact OD1-CG 3.23Å; D133-R135 IonicContact OD1-CZ 3.44Å; D133-R135 PolarHBondContact OD1-N 2.83Å; D133-R135 IonicContact OD1-NE 3.29Å; D133-R135 PolarHBondContact OD1-NE 3.49Å; D133-R135 IonicContact OD1-NH2 3.63Å; D133-R135 IonicContact OD2-CZ 3.31Å; D133-R135 IonicContact OD2-NE 3.79Å; D133-R135 PolarHBondContact OD2-NE 3.36Å; D133-R135 IonicContact OD2-NH2 2.63Å; D133-R135 PolarHBondContact OD2-NH2 3.28Å; D133-D136 PolarHBondContact O-N 3.19Å; D133-Y146 HydrophobicContact CB-CD1 4.16Å; D133-Y146 HydrophobicContact CB-CE1 4.43Å |
| 134 | L | 85.9 | Confident | 84.5 | Confident | 35 Ų | 35 | 65.8 Ų | 65.8 | 18% | 0.183 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -15.1 | 179.9 | -62.4 | -176.8 | 0 | 0 | 0 | 112.9 | L85 F108 N113 I115 D136 I140 | L85-L134 HydrophobicContact CD1-CD1 4.43Å; L85-L134 HydrophobicContact CD2-CD1 4.41Å; L85-L134 HydrophobicContact CD2-CD2 4.1Å; F108-L134 HydrophobicContact CE1-CD1 3.82Å; N113-L134 WeakPolarHBondContact O-CB 3.37Å; N113-L134 PolarHBondContact O-N 3.02Å; I115-L134 HydrophobicContact CD1-CD2 3.97Å; I115-L134 HydrophobicContact CG1-CD2 4.15Å; I115-L134 HydrophobicContact CG2-CD1 3.73Å; I115-L134 HydrophobicContact CG2-CD2 4.24Å; I115-L134 HydrophobicContact CG2-CG 4.02Å; L134-D136 VanDerWaalsContact C-N 3.3Å; L134-I140 HydrophobicContact CD2-CD1 4.11Å |
| 135 | R | 85.7 | Confident | 85.2 | Confident | 161 Ų | 161 | 63.7 Ų | 63.7 | 61% | 0.608 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -16.5 | 179 | -58.6 | 172.7 | -65.1 | 179 | 4 | 113 | N113 D133 P137 | N113-R135 HydrophobicContact CB-CG 4.08Å; D133-R135 PolarHBondContact O-N 2.86Å; D133-R135 VanDerWaalsContact OD1-CB 3.28Å; D133-R135 WeakPolarHBondContact OD1-CB 3.4Å; D133-R135 WeakPolarHBondContact OD1-CG 3.23Å; D133-R135 IonicContact OD1-CZ 3.44Å; D133-R135 PolarHBondContact OD1-N 2.83Å; D133-R135 IonicContact OD1-NE 3.29Å; D133-R135 PolarHBondContact OD1-NE 3.49Å; D133-R135 IonicContact OD1-NH2 3.63Å; D133-R135 IonicContact OD2-CZ 3.31Å; D133-R135 IonicContact OD2-NE 3.79Å; D133-R135 PolarHBondContact OD2-NE 3.36Å; D133-R135 IonicContact OD2-NH2 2.63Å; D133-R135 PolarHBondContact OD2-NH2 3.28Å; R135-P137 WeakPolarHBondContact O-CD 3.35Å |
| 136 | D | 84.1 | Confident | 85.6 | Confident | 56 Ų | 56 | 62.4 Ų | 62.4 | 30% | 0.299 | 30% | 0.301 | S | S | . | . | trans | -105.6 | 97.4 | 179.2 | -172.7 | -0.7 | 0 | 0 | 0 | 109.7 | D133 L134 Q138 Q139 | D133-D136 PolarHBondContact O-N 3.19Å; L134-D136 VanDerWaalsContact C-N 3.3Å; D136-Q138 PolarHBondContact O-N 2.91Å; D136-Q138 VanDerWaalsContact O-N 3.14Å; D136-Q138 WeakPolarHBondContact OD1-CB 3.3Å; D136-Q138 PolarHBondContact OD1-N 2.95Å; D136-Q139 HydrophobicContact CB-CG 4.07Å; D136-Q139 PolarHBondContact O-N 2.9Å; D136-Q139 VanDerWaalsContact O-N 3.15Å; D136-Q139 PolarHBondContact OD2-NE2 3.34Å; D136-Q139 VanDerWaalsContact OD2-NE2 3.17Å | ||
| 137 | P | 78 | Confident | 85.9 | Confident | 77 Ų | 77 | 58.7 Ų | 58.7 | 50% | 0.5 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.8 | -26.3 | -178.1 | -21.5 | 33.9 | 0 | 0 | 0 | 112.7 | R135 Q139 I140 E141 | R135-P137 WeakPolarHBondContact O-CD 3.35Å; P137-Q139 VanDerWaalsContact C-N 3.29Å; P137-Q139 PolarHBondContact O-N 2.83Å; P137-I140 PolarHBondContact O-N 2.65Å; P137-E141 WeakPolarHBondContact O-CG 3.48Å; P137-E141 PolarHBondContact O-N 3.15Å |
| 138 | Q | 81.5 | Confident | 86 | Confident | 130 Ų | 130 | 61.5 Ų | 61.5 | 61% | 0.607 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -64 | -36.3 | 179.8 | -64.2 | -174 | -13.3 | 0 | 0 | 111.3 | D136 I140 E141 D142 | D136-Q138 PolarHBondContact O-N 2.91Å; D136-Q138 VanDerWaalsContact O-N 3.14Å; D136-Q138 WeakPolarHBondContact OD1-CB 3.3Å; D136-Q138 PolarHBondContact OD1-N 2.95Å; Q138-I140 VanDerWaalsContact C-N 3.26Å; Q138-I140 PolarHBondContact O-N 3.03Å; Q138-E141 PolarHBondContact O-N 2.92Å; Q138-D142 VanDerWaalsContact O-CB 3.25Å; Q138-D142 WeakPolarHBondContact O-CB 2.93Å; Q138-D142 PolarHBondContact O-N 2.84Å |
| 139 | Q | 79.6 | Confident | 86.1 | Confident | 29 Ų | 29 | 59.4 Ų | 59.4 | 14% | 0.136 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.6 | -34.9 | 177.3 | -69.2 | 178.4 | 19.2 | 0 | 0 | 112.3 | F132 D136 P137 N143 Q144 | F132-Q139 HydrophobicContact CD1-CB 4.38Å; D136-Q139 HydrophobicContact CB-CG 4.07Å; D136-Q139 PolarHBondContact O-N 2.9Å; D136-Q139 VanDerWaalsContact O-N 3.15Å; D136-Q139 PolarHBondContact OD2-NE2 3.34Å; D136-Q139 VanDerWaalsContact OD2-NE2 3.17Å; P137-Q139 VanDerWaalsContact C-N 3.29Å; P137-Q139 PolarHBondContact O-N 2.83Å; Q139-N143 CarbonylContact O-C 3.5Å; Q139-N143 VanDerWaalsContact O-CA 3.25Å; Q139-N143 WeakPolarHBondContact O-CA 3.42Å; Q139-N143 PolarHBondContact O-N 3.17Å; Q139-Q144 WeakPolarHBondContact CB-O 3.41Å; Q139-Q144 PolarHBondContact O-N 2.79Å |
| 140 | I | 78.3 | Confident | 85.9 | Confident | 38 Ų | 38 | 63.3 Ų | 63.3 | 20% | 0.195 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -76.4 | -44 | 178.9 | -59.3 | 177 | 0 | 0 | 0 | 110.2 | A95 L97 L134 P137 Q138 N143 | A95-I140 HydrophobicContact CB-CG2 3.55Å; L97-I140 HydrophobicContact CD2-CB 4.44Å; L97-I140 HydrophobicContact CD2-CG2 4.1Å; L134-I140 HydrophobicContact CD2-CD1 4.11Å; P137-I140 PolarHBondContact O-N 2.65Å; Q138-I140 VanDerWaalsContact C-N 3.26Å; Q138-I140 PolarHBondContact O-N 3.03Å; I140-N143 PolarHBondContact O-N 3.42Å |
| 141 | E | 77.8 | Confident | 85.5 | Confident | 157 Ų | 157 | 63 Ų | 63 | 73% | 0.734 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -66.4 | -44.4 | 179.2 | -72.2 | -177.2 | 179.5 | 0 | 0 | 112.2 | P137 Q138 N143 | P137-E141 WeakPolarHBondContact O-CG 3.48Å; P137-E141 PolarHBondContact O-N 3.15Å; Q138-E141 PolarHBondContact O-N 2.92Å; E141-N143 VanDerWaalsContact C-N 3.28Å |
| 142 | D | 81.8 | Confident | 84.5 | Confident | 106 Ų | 106 | 66.1 Ų | 66.1 | 57% | 0.567 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -8.5 | 178.8 | -66.6 | -31.3 | 0 | 0 | 0 | 112.7 | Q138 Q144 | Q138-D142 VanDerWaalsContact O-CB 3.25Å; Q138-D142 WeakPolarHBondContact O-CB 2.93Å; Q138-D142 PolarHBondContact O-N 2.84Å; D142-Q144 HydrophobicContact CB-CG 4.34Å; D142-Q144 PolarHBondContact O-N 2.85Å |
| 143 | N | 83.8 | Confident | 83.8 | Confident | 52 Ų | 52 | 73 Ų | 73 | 28% | 0.278 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 40.1 | -178.4 | -173.4 | 55.6 | 0 | 0 | 0 | 112.4 | L97 N98 Q139 I140 E141 | L97-N143 WeakPolarHBondContact CA-OD1 3.32Å; N98-N143 PolarHBondContact N-OD1 3.27Å; N98-N143 PolarHBondContact O-ND2 3.18Å; N98-N143 PolarHBondContact O-OD1 3.29Å; Q139-N143 CarbonylContact O-C 3.5Å; Q139-N143 VanDerWaalsContact O-CA 3.25Å; Q139-N143 WeakPolarHBondContact O-CA 3.42Å; Q139-N143 PolarHBondContact O-N 3.17Å; I140-N143 PolarHBondContact O-N 3.42Å; E141-N143 VanDerWaalsContact C-N 3.28Å |
| 144 | Q | 84.9 | Confident | 83.5 | Confident | 133 Ų | 133 | 72.4 Ų | 72.4 | 62% | 0.621 | 37% | 0.373 | S | S | * | . | trans | -112 | 114.9 | 178.9 | -69.4 | -169.5 | 11 | 0 | 0 | 110.2 | Q139 D142 | Q139-Q144 WeakPolarHBondContact CB-O 3.41Å; Q139-Q144 PolarHBondContact O-N 2.79Å; D142-Q144 HydrophobicContact CB-CG 4.34Å; D142-Q144 PolarHBondContact O-N 2.85Å | ||
| 145 | P | 87.4 | Confident | 83.7 | Confident | 39 Ų | 39 | 72.6 Ų | 72.6 | 25% | 0.253 | 37% | 0.372 | S | S | . | . | trans | -64.3 | 145.5 | 171.6 | 24.3 | -30.2 | 0 | 0 | 0 | 110.4 | N130 Y131 F132 L147 T148 | N130-P145 HydrophobicContact CB-CB 4.21Å; N130-P145 HydrophobicContact CB-CG 4.47Å; Y131-P145 WeakPolarHBondContact O-CA 3.32Å; Y131-P145 WeakPolarHBondContact O-CB 3.35Å; F132-P145 HydrophobicContact CD2-CB 3.82Å; F132-P145 HydrophobicContact CE1-CB 4.45Å; F132-P145 HydrophobicContact CE2-CB 3.45Å; F132-P145 VanDerWaalsContact CE2-CB 3.45Å; F132-P145 HydrophobicContact CE2-CG 4.04Å; F132-P145 HydrophobicContact CG-CB 4.47Å; F132-P145 HydrophobicContact CZ-CB 3.82Å; F132-P145 HydrophobicContact CZ-CG 4.15Å; P145-L147 VanDerWaalsContact C-N 3.27Å; P145-L147 PolarHBondContact O-N 3.17Å; P145-T148 WeakPolarHBondContact CG-OG1 3.23Å | ||
| 146 | Y | 88.5 | Confident | 84.1 | Confident | 92 Ų | 92 | 64.9 Ų | 64.9 | 36% | 0.361 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -72.4 | -25.6 | 173 | 77.2 | -95.6 | 0 | 0 | 0 | 112.1 | I114 Y131 D133 | I114-Y146 HydrophobicContact CG2-CE1 4.05Å; Y131-Y146 VanDerWaalsContact CB-CE1 3.43Å; Y131-Y146 VanDerWaalsContact CB-CZ 3.43Å; Y131-Y146 WeakPolarHBondContact CB-OH 3.33Å; Y131-Y146 VanDerWaalsContact O-CD1 3.27Å; Y131-Y146 WeakPolarHBondContact O-CD1 3.23Å; Y131-Y146 PolarHBondContact O-N 2.9Å; Y131-Y146 VanDerWaalsContact O-N 3.14Å; D133-Y146 HydrophobicContact CB-CD1 4.16Å; D133-Y146 HydrophobicContact CB-CE1 4.43Å |
| 147 | L | 90.1 | Very high | 84.5 | Confident | 31 Ų | 31 | 62.6 Ų | 62.6 | 16% | 0.162 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 130.8 | 177.2 | 179.1 | 66.4 | 0 | 0 | 0 | 110.6 | Y131 P145 V149 A182 | Y131-L147 HydrophobicContact CD2-CB 4.03Å; Y131-L147 HydrophobicContact CD2-CD2 3.78Å; Y131-L147 HydrophobicContact CD2-CG 3.9Å; Y131-L147 HydrophobicContact CE2-CD2 3.98Å; Y131-L147 HydrophobicContact CE2-CG 4.38Å; Y131-L147 HydrophobicContact CG-CB 4.47Å; Y131-L147 HydrophobicContact CG-CD2 4.44Å; Y131-L147 PolarHBondContact N-O 3.36Å; P145-L147 VanDerWaalsContact C-N 3.27Å; P145-L147 PolarHBondContact O-N 3.17Å; L147-V149 HydrophobicContact CD2-CG2 4.37Å; L147-V149 HydrophobicContact CG-CG2 4.21Å; L147-A182 WeakPolarHBondContact CD2-O 3.33Å |
| 148 | T | 90.9 | Very high | 85.3 | Confident | 59 Ų | 59 | 59.3 Ų | 59.3 | 36% | 0.362 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 122.3 | 173.7 | -65 | 0 | 0 | 0 | 0 | 109.4 | F128 L129 N130 P145 | F128-T148 HydrophobicContact CB-CG2 3.88Å; F128-T148 HydrophobicContact CD1-CG2 3.47Å; F128-T148 VanDerWaalsContact CD1-CG2 3.47Å; F128-T148 HydrophobicContact CE1-CG2 4.25Å; F128-T148 HydrophobicContact CG-CG2 3.89Å; L129-T148 WeakPolarHBondContact O-CA 3.49Å; N130-T148 VanDerWaalsContact OD1-CG2 3.3Å; N130-T148 WeakPolarHBondContact OD1-CG2 3.25Å; N130-T148 PolarHBondContact OD1-OG1 2.58Å; P145-T148 WeakPolarHBondContact CG-OG1 3.23Å |
| 149 | V | 91.1 | Very high | 85.9 | Confident | 10 Ų | 10 | 53.4 Ų | 53.4 | 6% | 0.061 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 114.3 | 179.9 | -175.3 | 0 | 0 | 0 | 0 | 109.7 | F128 L129 Y131 L147 C151 F180 G185 | F128-V149 WeakPolarHBondContact CA-O 3.46Å; L129-V149 HydrophobicContact CB-CB 4.21Å; L129-V149 PolarHBondContact N-O 2.71Å; L129-V149 PolarHBondContact O-N 2.69Å; Y131-V149 HydrophobicContact CE2-CG2 3.96Å; L147-V149 HydrophobicContact CD2-CG2 4.37Å; L147-V149 HydrophobicContact CG-CG2 4.21Å; V149-C151 PolarHBondContact O-N 2.84Å; V149-F180 HydrophobicContact CG1-CD1 3.87Å; V149-F180 HydrophobicContact CG1-CE1 3.89Å; V149-G185 WeakPolarHBondContact CG1-O 3.42Å |
| 150 | P | 87.3 | Confident | 86.6 | Confident | 81 Ų | 81 | 52.7 Ų | 52.7 | 53% | 0.526 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 122.3 | 177 | 28.5 | -32.3 | 0 | 0 | 0 | 111.3 | F128 | F128-P150 HydrophobicContact CD1-CB 4.09Å; F128-P150 HydrophobicContact CE1-CB 3.9Å |
| 151 | C | 84.8 | Confident | 87.4 | Confident | 10 Ų | 10 | 51.8 Ų | 51.8 | 7% | 0.068 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 78.2 | 174.8 | -68.5 | 0 | 0 | 0 | 0 | 109.9 | C127 V149 I156 | C127-C151 HydrophobicContact CB-CB 4.27Å; C127-C151 PolarHBondContact O-N 2.94Å; V149-C151 PolarHBondContact O-N 2.84Å; C151-I156 HydrophobicContact CB-CD1 4.28Å; C151-I156 HydrophobicContact CB-CG1 4.38Å; C151-I156 WeakPolarHBondContact SG-CD1 3.42Å |
| 152 | A | 71.3 | Confident | 88 | Confident | 65 Ų | 65 | 44.4 Ų | 44.4 | 54% | 0.537 | 24% | 0.241 | S | C | . | . | trans | -76.4 | -33.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 153 | E | 76.1 | Confident | 88.4 | Confident | 147 Ų | 147 | 40.6 Ų | 40.6 | 69% | 0.687 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -70.3 | -52.9 | -172.3 | -63.5 | -171.4 | 160.2 | 0 | 0 | 112.5 | K190 | E153-K190 IonicContact OE2-NZ 3.48Å; E153-K190 PolarHBondContact OE2-NZ 2.91Å |
| 154 | S | 85.4 | Confident | 88.4 | Confident | 12 Ų | 12 | 44.2 Ų | 44.2 | 8% | 0.084 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -144.8 | 143.6 | -180 | -171.5 | 0 | 0 | 0 | 0 | 109.8 | H172 E173 N174 | S154-H172 PolarHBondContact O-ND1 2.57Å; S154-E173 PolarHBondContact OG-N 3.4Å; S154-N174 WeakPolarHBondContact CB-ND2 3.12Å; S154-N174 PolarHBondContact OG-N 3.16Å |
| 155 | K | 90.1 | Very high | 88.5 | Confident | 39 Ų | 39 | 38.5 Ų | 38.5 | 17% | 0.17 | 22% | 0.218 | C | C | . | . | trans | -71.8 | 144.1 | 179.4 | 61.5 | 168.9 | 178.4 | -179 | 0 | 111.2 | D120 K121 C127 H172 E173 | D120-K155 WeakPolarHBondContact OD1-CD 3.43Å; D120-K155 IonicContact OD1-NZ 2.9Å; D120-K155 PolarHBondContact OD1-NZ 3.03Å; D120-K155 IonicContact OD2-NZ 3.25Å; K121-K155 HydrophobicContact CB-CB 3.84Å; K121-K155 HydrophobicContact CB-CD 4.14Å; C127-K155 HydrophobicContact CB-CB 4.08Å; K155-H172 WeakPolarHBondContact O-CA 3.26Å; K155-E173 VanDerWaalsContact CE-CD 3.4Å; K155-E173 WeakPolarHBondContact CE-OE1 3.46Å; K155-E173 WeakPolarHBondContact CE-OE2 3.23Å; K155-E173 HydrophobicContact CG-CB 3.98Å; K155-E173 VanDerWaalsContact CG-OE2 3.31Å; K155-E173 WeakPolarHBondContact CG-OE2 3.28Å; K155-E173 PolarHBondContact O-N 3.36Å; K155-E173 VanDerWaalsContact O-N 3.13Å | ||
| 156 | I | 92.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 134.6 | 173.2 | -64.9 | 172.7 | 0 | 0 | 0 | 108.5 | C127 L129 C151 S158 A159 A170 G171 F180 | C127-I156 PolarHBondContact SG-N 3.44Å; L129-I156 HydrophobicContact CB-CD1 4.17Å; L129-I156 HydrophobicContact CD1-CD1 4.18Å; L129-I156 HydrophobicContact CD2-CD1 4.41Å; C151-I156 HydrophobicContact CB-CD1 4.28Å; C151-I156 HydrophobicContact CB-CG1 4.38Å; C151-I156 WeakPolarHBondContact SG-CD1 3.42Å; I156-S158 WeakPolarHBondContact CG2-O 3.01Å; I156-A159 HydrophobicContact CG2-CB 4.07Å; I156-A170 HydrophobicContact CD1-CB 3.93Å; I156-A170 HydrophobicContact CG1-CB 4.06Å; I156-A170 HydrophobicContact CG2-CB 4.04Å; I156-G171 WeakPolarHBondContact CA-O 3.21Å; I156-F180 HydrophobicContact CD1-CE2 4.44Å |
| 157 | T | 93.1 | Very high | 88.8 | Confident | 8 Ų | 8 | 37.8 Ų | 37.8 | 5% | 0.049 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | -38.1 | -179.4 | 49.8 | 0 | 0 | 0 | 0 | 111.5 | T105 G171 E173 Q197 I198 | T105-T157 WeakPolarHBondContact CG2-O 3.21Å; T157-G171 PolarHBondContact N-O 3.18Å; T157-G171 PolarHBondContact OG1-O 3.28Å; T157-G171 VanDerWaalsContact OG1-O 3.06Å; T157-E173 HydrophobicContact CG2-CB 4.04Å; T157-Q197 HydrophobicContact CG2-CG 4.03Å; T157-I198 VanDerWaalsContact CB-O 3.23Å; T157-I198 WeakPolarHBondContact CB-O 3.13Å; T157-I198 PolarHBondContact OG1-O 2.9Å |
| 158 | S | 93.9 | Very high | 89 | Confident | 7 Ų | 7 | 36.3 Ų | 36.3 | 5% | 0.049 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 147 | 169.6 | -168.7 | 0 | 0 | 0 | 0 | 111.2 | T105 I156 A170 G171 I201 | T105-S158 VanDerWaalsContact CG2-CA 3.44Å; I156-S158 WeakPolarHBondContact CG2-O 3.01Å; S158-A170 CarbonylContact O-C 3.47Å; S158-A170 WeakPolarHBondContact O-CA 3.48Å; S158-G171 PolarHBondContact O-N 3.44Å; S158-I201 PolarHBondContact OG-N 3.14Å |
| 159 | A | 94.9 | Very high | 89.2 | Confident | 6 Ų | 6 | 33.5 Ų | 33.5 | 5% | 0.05 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 142.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | M116 I156 V168 I169 A170 | M116-A159 HydrophobicContact CE-CB 3.77Å; M116-A159 HydrophobicContact SD-CB 4.35Å; I156-A159 HydrophobicContact CG2-CB 4.07Å; A159-V168 HydrophobicContact CB-CG1 4.12Å; A159-I169 CarbonylContact C-O 3.43Å; A159-I169 VanDerWaalsContact CA-O 3.3Å; A159-I169 WeakPolarHBondContact CA-O 3.37Å; A159-A170 HydrophobicContact CB-CB 4.1Å |
| 160 | V | 94.9 | Very high | 89.4 | Confident | 15 Ų | 15 | 33 Ų | 33 | 9% | 0.091 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 150.9 | -179.2 | -65.7 | 0 | 0 | 0 | 0 | 110.7 | V168 I169 I201 T203 V210 | V160-V168 CarbonylContact O-C 3.59Å; V160-V168 WeakPolarHBondContact O-CA 3.37Å; V160-V168 WeakPolarHBondContact O-CG1 3.41Å; V160-I169 HydrophobicContact CG2-CB 4.12Å; V160-I169 PolarHBondContact N-O 3.21Å; V160-I169 PolarHBondContact O-N 2.97Å; V160-I201 HydrophobicContact CG1-CB 4.41Å; V160-I201 HydrophobicContact CG1-CG2 4.3Å; V160-I201 WeakPolarHBondContact CG1-O 3.16Å; V160-I201 HydrophobicContact CG2-CB 4.42Å; V160-I201 HydrophobicContact CG2-CG2 3.56Å; V160-T203 HydrophobicContact CB-CG2 4.19Å; V160-T203 HydrophobicContact CG2-CG2 3.76Å; V160-V210 HydrophobicContact CG2-CG2 4.31Å |
| 161 | W | 94.3 | Very high | 89.8 | Confident | 19 Ų | 19 | 29.1 Ų | 29.1 | 7% | 0.072 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 137.2 | 172.8 | -71.8 | 99.5 | 0 | 0 | 0 | 111.1 | G107 F108 D109 I114 M116 Y131 V168 A182 | G107-W161 PolarHBondContact O-NE1 2.58Å; F108-W161 VanDerWaalsContact C-CD1 3.4Å; F108-W161 VanDerWaalsContact C-NE1 3.34Å; F108-W161 PolarHBondContact O-NE1 2.9Å; D109-W161 HydrophobicContact CB-CD2 4.39Å; D109-W161 HydrophobicContact CB-CH2 4.35Å; D109-W161 HydrophobicContact CB-CZ2 4.13Å; I114-W161 HydrophobicContact CG2-CH2 3.83Å; I114-W161 HydrophobicContact CG2-CZ2 3.89Å; M116-W161 HydrophobicContact CB-CZ2 3.54Å; Y131-W161 AromaticContact CD1-CH2 3.59Å; Y131-W161 HydrophobicContact CD1-CH2 3.59Å; Y131-W161 AromaticContact CD1-CZ2 3.9Å; Y131-W161 HydrophobicContact CD1-CZ2 3.9Å; Y131-W161 AromaticContact CE1-CH2 3.51Å; Y131-W161 HydrophobicContact CE1-CH2 3.51Å; Y131-W161 AromaticContact CE1-CZ2 3.93Å; Y131-W161 HydrophobicContact CE1-CZ2 3.93Å; Y131-W161 HydrophobicContact CE1-CZ3 4.14Å; W161-V168 HydrophobicContact CD2-CG2 3.87Å; W161-V168 HydrophobicContact CE3-CG2 3.58Å; W161-V168 HydrophobicContact CH2-CG2 4.26Å; W161-V168 HydrophobicContact CZ2-CG2 4.49Å; W161-V168 HydrophobicContact CZ3-CG2 3.8Å; W161-A182 HydrophobicContact CH2-CB 4.22Å; W161-A182 HydrophobicContact CZ3-CB 3.6Å |
| 162 | G | 91.3 | Very high | 90.2 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | trans | -80.8 | 179.9 | 169 | 0 | 0 | 0 | 0 | 0 | 112.3 | L164 G165 F167 | G162-L164 PolarHBondContact O-N 3.09Å; G162-G165 PolarHBondContact O-N 2.98Å; G162-F167 WeakPolarHBondContact CA-O 3.27Å; G162-F167 PolarHBondContact N-O 3.34Å | ||
| 163 | P | 88.9 | Confident | 91.3 | Very high | 26 Ų | 26 | 29.8 Ų | 29.8 | 17% | 0.169 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -47.1 | 136.2 | 173.7 | -29 | 33.7 | 0 | 0 | 0 | 113.6 | G165 E166 F167 L207 S224 | P163-G165 PolarHBondContact O-N 3.48Å; P163-E166 PolarHBondContact O-N 2.78Å; P163-F167 HydrophobicContact CG-CZ 4.3Å; P163-L207 HydrophobicContact CB-CB 4.43Å; P163-L207 WeakPolarHBondContact CD-O 3.48Å; P163-L207 HydrophobicContact CG-CB 3.96Å; P163-L207 WeakPolarHBondContact CG-O 3.4Å; P163-S224 WeakPolarHBondContact CG-OG 3.13Å |
| 164 | L | 85.5 | Confident | 92 | Very high | 129 Ų | 129 | 25 Ų | 25 | 68% | 0.675 | 13% | 0.131 | S | C | * | . | G | 310 helix | trans | 58.1 | 12.5 | 172.3 | -53.2 | 174.2 | 0 | 0 | 0 | 115.4 | G162 E166 | G162-L164 PolarHBondContact O-N 3.09Å; L164-E166 HydrophobicContact CB-CG 4.23Å; L164-E166 PolarHBondContact O-N 3.19Å |
| 165 | G | 85.8 | Confident | 92.4 | Very high | 13 Ų | 13 | 24.5 Ų | 24.5 | 13% | 0.134 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | 72.1 | 12.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | D109 G162 P163 A182 | D109-G165 WeakPolarHBondContact OD1-CA 3.34Å; G162-G165 PolarHBondContact O-N 2.98Å; P163-G165 PolarHBondContact O-N 3.48Å; G165-A182 VanDerWaalsContact O-CB 3.27Å; G165-A182 WeakPolarHBondContact O-CB 3.35Å |
| 166 | E | 89.4 | Confident | 92.6 | Very high | 101 Ų | 101 | 23.7 Ų | 23.7 | 47% | 0.472 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -76.6 | -28.3 | -174.7 | -65.9 | -158.1 | 133 | 0 | 0 | 113 | P163 L164 A182 | P163-E166 PolarHBondContact O-N 2.78Å; L164-E166 HydrophobicContact CB-CG 4.23Å; L164-E166 PolarHBondContact O-N 3.19Å; E166-A182 WeakPolarHBondContact O-CB 3.23Å; E166-A182 PolarHBondContact O-N 2.91Å |
| 167 | F | 92.9 | Very high | 92.7 | Very high | 14 Ų | 14 | 23.7 Ų | 23.7 | 6% | 0.061 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 163.5 | -178.8 | 58.4 | -97.5 | 0 | 0 | 0 | 111.8 | G162 P163 I169 Q179 F180 L188 S224 | G162-F167 WeakPolarHBondContact CA-O 3.27Å; G162-F167 PolarHBondContact N-O 3.34Å; P163-F167 HydrophobicContact CG-CZ 4.3Å; F167-I169 HydrophobicContact CD2-CG1 4.07Å; F167-I169 HydrophobicContact CE2-CD1 4.08Å; F167-I169 HydrophobicContact CE2-CG1 3.96Å; F167-Q179 HydrophobicContact CB-CG 3.92Å; F167-Q179 VanDerWaalsContact CD1-NE2 3.27Å; F167-Q179 HydrophobicContact CD2-CG 3.48Å; F167-Q179 VanDerWaalsContact CD2-CG 3.48Å; F167-Q179 VanDerWaalsContact CE1-NE2 3.28Å; F167-Q179 HydrophobicContact CE2-CG 4.08Å; F167-Q179 HydrophobicContact CG-CG 3.8Å; F167-F180 CarbonylContact C-O 3.59Å; F167-F180 WeakPolarHBondContact CA-O 3.17Å; F167-F180 WeakPolarHBondContact CB-O 3.17Å; F167-L188 HydrophobicContact CB-CD1 4.17Å; F167-S224 VanDerWaalsContact CE2-O 3.26Å; F167-S224 WeakPolarHBondContact CE2-O 3.41Å; F167-S224 WeakPolarHBondContact CZ-O 3.36Å |
| 168 | V | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 136.5 | 175.1 | 169 | 0 | 0 | 0 | 0 | 108.7 | M116 L129 Y131 A159 V160 W161 Q179 F180 | M116-V168 HydrophobicContact CE-CG1 3.83Å; M116-V168 HydrophobicContact CE-CG2 4.3Å; M116-V168 HydrophobicContact SD-CB 3.91Å; M116-V168 HydrophobicContact SD-CG1 3.28Å; M116-V168 WeakPolarHBondContact SD-CG1 3.39Å; M116-V168 HydrophobicContact SD-CG2 3.4Å; M116-V168 WeakPolarHBondContact SD-CG2 3.2Å; L129-V168 HydrophobicContact CD2-CB 4.48Å; L129-V168 HydrophobicContact CD2-CG1 4.07Å; Y131-V168 HydrophobicContact CE1-CG2 3.78Å; Y131-V168 WeakPolarHBondContact OH-CG2 3.42Å; A159-V168 HydrophobicContact CB-CG1 4.12Å; V160-V168 CarbonylContact O-C 3.59Å; V160-V168 WeakPolarHBondContact O-CA 3.37Å; V160-V168 WeakPolarHBondContact O-CG1 3.41Å; W161-V168 HydrophobicContact CD2-CG2 3.87Å; W161-V168 HydrophobicContact CE3-CG2 3.58Å; W161-V168 HydrophobicContact CH2-CG2 4.26Å; W161-V168 HydrophobicContact CZ2-CG2 4.49Å; W161-V168 HydrophobicContact CZ3-CG2 3.8Å; V168-Q179 CarbonylContact O-C 3.58Å; V168-Q179 WeakPolarHBondContact O-CA 3.48Å; V168-F180 PolarHBondContact N-O 3.36Å; V168-F180 PolarHBondContact O-N 3.41Å |
| 169 | I | 95.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 121.7 | 170.8 | -55.8 | 175.7 | 0 | 0 | 0 | 107.8 | A159 V160 F167 I177 N178 V210 L227 | A159-I169 CarbonylContact C-O 3.43Å; A159-I169 VanDerWaalsContact CA-O 3.3Å; A159-I169 WeakPolarHBondContact CA-O 3.37Å; V160-I169 HydrophobicContact CG2-CB 4.12Å; V160-I169 PolarHBondContact N-O 3.21Å; V160-I169 PolarHBondContact O-N 2.97Å; F167-I169 HydrophobicContact CD2-CG1 4.07Å; F167-I169 HydrophobicContact CE2-CD1 4.08Å; F167-I169 HydrophobicContact CE2-CG1 3.96Å; I169-I177 HydrophobicContact CG2-CG2 3.58Å; I169-N178 CarbonylContact C-O 3.49Å; I169-N178 WeakPolarHBondContact CA-O 3.32Å; I169-V210 HydrophobicContact CD1-CB 4.27Å; I169-V210 HydrophobicContact CD1-CG1 4.04Å; I169-V210 HydrophobicContact CD1-CG2 4.45Å; I169-L227 HydrophobicContact CD1-CD2 4.16Å; I169-L227 HydrophobicContact CG2-CD2 4.28Å |
| 170 | A | 95.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 137.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | I156 S158 A159 I177 N178 F180 | I156-A170 HydrophobicContact CD1-CB 3.93Å; I156-A170 HydrophobicContact CG1-CB 4.06Å; I156-A170 HydrophobicContact CG2-CB 4.04Å; S158-A170 CarbonylContact O-C 3.47Å; S158-A170 WeakPolarHBondContact O-CA 3.48Å; A159-A170 HydrophobicContact CB-CB 4.1Å; A170-I177 WeakPolarHBondContact O-CA 3.5Å; A170-N178 PolarHBondContact N-O 2.92Å; A170-N178 PolarHBondContact O-N 2.92Å; A170-F180 HydrophobicContact CB-CD2 4.09Å; A170-F180 HydrophobicContact CB-CE2 3.77Å |
| 171 | G | 95.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 136.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | I156 T157 S158 | I156-G171 WeakPolarHBondContact CA-O 3.21Å; T157-G171 PolarHBondContact N-O 3.18Å; T157-G171 PolarHBondContact OG1-O 3.28Å; T157-G171 VanDerWaalsContact OG1-O 3.06Å; S158-G171 PolarHBondContact O-N 3.44Å |
| 172 | H | 94.3 | Very high | 92.3 | Very high | 4 Ų | 4 | 23.1 Ų | 23.1 | 2% | 0.019 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 159.9 | -177.7 | -67.4 | -94.2 | 0 | 0 | 0 | 112.1 | S154 K155 N174 G175 E176 N178 I198 | S154-H172 PolarHBondContact O-ND1 2.57Å; K155-H172 WeakPolarHBondContact O-CA 3.26Å; H172-N174 WeakPolarHBondContact CB-OD1 3.16Å; H172-N174 PolarHBondContact O-N 3.16Å; H172-G175 PolarHBondContact O-N 2.82Å; H172-E176 HydrophobicContact CB-CB 4.3Å; H172-E176 WeakPolarHBondContact CB-O 3.47Å; H172-E176 PolarHBondContact CD2-O 3.34Å; H172-E176 PolarHBondContact N-O 3.47Å; H172-N178 PolarHBondContact CD2-ND2 3.24Å; H172-N178 PolarHBondContact NE2-ND2 2.78Å; H172-I198 PolarHBondContact O-N 2.96Å |
| 173 | E | 92.9 | Very high | 92.1 | Very high | 85 Ų | 85 | 30.9 Ų | 30.9 | 40% | 0.397 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -25.8 | 176.1 | -175.6 | 175.5 | -146.8 | 0 | 0 | 113.3 | S154 K155 T157 G175 Q197 | S154-E173 PolarHBondContact OG-N 3.4Å; K155-E173 VanDerWaalsContact CE-CD 3.4Å; K155-E173 WeakPolarHBondContact CE-OE1 3.46Å; K155-E173 WeakPolarHBondContact CE-OE2 3.23Å; K155-E173 HydrophobicContact CG-CB 3.98Å; K155-E173 VanDerWaalsContact CG-OE2 3.31Å; K155-E173 WeakPolarHBondContact CG-OE2 3.28Å; K155-E173 PolarHBondContact O-N 3.36Å; K155-E173 VanDerWaalsContact O-N 3.13Å; T157-E173 HydrophobicContact CG2-CB 4.04Å; E173-G175 VanDerWaalsContact C-N 3.29Å; E173-G175 PolarHBondContact O-N 3.21Å; E173-Q197 HydrophobicContact CG-CB 4.19Å; E173-Q197 HydrophobicContact CG-CG 4.3Å; E173-Q197 WeakPolarHBondContact O-CA 3.23Å; E173-Q197 PolarHBondContact O-N 2.86Å; E173-Q197 VanDerWaalsContact O-N 3.16Å |
| 174 | N | 92.1 | Very high | 92 | Very high | 47 Ų | 47 | 32.2 Ų | 32.2 | 25% | 0.251 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 0.4 | 178.2 | 67.1 | -1.5 | 0 | 0 | 0 | 114.2 | S154 H172 E176 | S154-N174 WeakPolarHBondContact CB-ND2 3.12Å; S154-N174 PolarHBondContact OG-N 3.16Å; H172-N174 WeakPolarHBondContact CB-OD1 3.16Å; H172-N174 PolarHBondContact O-N 3.16Å; N174-E176 PolarHBondContact ND2-OE2 2.67Å; N174-E176 VanDerWaalsContact OD1-CB 3.25Å; N174-E176 WeakPolarHBondContact OD1-CB 3.4Å; N174-E176 WeakPolarHBondContact OD1-CG 3.43Å; N174-E176 PolarHBondContact OD1-N 3.31Å |
| 175 | G | 92.1 | Very high | 92 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | S | Bend | trans | 87.5 | 8.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | H172 E173 H194 K196 | H172-G175 PolarHBondContact O-N 2.82Å; E173-G175 VanDerWaalsContact C-N 3.29Å; E173-G175 PolarHBondContact O-N 3.21Å; G175-H194 PolarHBondContact O-N 3.43Å; G175-H194 VanDerWaalsContact O-N 3.17Å; G175-K196 VanDerWaalsContact CA-O 3.23Å; G175-K196 WeakPolarHBondContact CA-O 3.1Å |
| 176 | E | 94.8 | Very high | 92.2 | Very high | 22 Ų | 22 | 32.1 Ų | 32.1 | 10% | 0.103 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 146.6 | 173.5 | -64.8 | 173.9 | 164.2 | 0 | 0 | 111.5 | H172 N174 K190 V191 K192 | H172-E176 HydrophobicContact CB-CB 4.3Å; H172-E176 WeakPolarHBondContact CB-O 3.47Å; H172-E176 PolarHBondContact CD2-O 3.34Å; H172-E176 PolarHBondContact N-O 3.47Å; N174-E176 PolarHBondContact ND2-OE2 2.67Å; N174-E176 VanDerWaalsContact OD1-CB 3.25Å; N174-E176 WeakPolarHBondContact OD1-CB 3.4Å; N174-E176 WeakPolarHBondContact OD1-CG 3.43Å; N174-E176 PolarHBondContact OD1-N 3.31Å; E176-K190 VanDerWaalsContact CD-NZ 3.29Å; E176-K190 VanDerWaalsContact OE1-CE 3.23Å; E176-K190 WeakPolarHBondContact OE1-CE 3.36Å; E176-K190 IonicContact OE1-NZ 3.17Å; E176-K190 PolarHBondContact OE1-NZ 3.14Å; E176-K190 WeakPolarHBondContact OE2-CE 3.13Å; E176-K190 IonicContact OE2-NZ 3.59Å; E176-K190 PolarHBondContact OE2-NZ 3.06Å; E176-V191 CarbonylContact C-O 3.55Å; E176-V191 WeakPolarHBondContact CA-O 3.13Å; E176-K192 HydrophobicContact CG-CB 3.91Å; E176-K192 HydrophobicContact CG-CD 3.98Å; E176-K192 HydrophobicContact CG-CG 3.79Å |
| 177 | I | 95.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 120.1 | 172.3 | -56.4 | 164.9 | 0 | 0 | 0 | 106.4 | I169 A170 V191 I198 T212 F222 L227 | I169-I177 HydrophobicContact CG2-CG2 3.58Å; A170-I177 WeakPolarHBondContact O-CA 3.5Å; I177-V191 PolarHBondContact N-O 2.84Å; I177-V191 PolarHBondContact O-N 2.96Å; I177-I198 HydrophobicContact CD1-CD1 4.26Å; I177-I198 HydrophobicContact CG1-CD1 3.48Å; I177-I198 VanDerWaalsContact CG1-CD1 3.48Å; I177-T212 HydrophobicContact CD1-CG2 3.7Å; I177-T212 HydrophobicContact CG1-CG2 4.36Å; I177-F222 HydrophobicContact CD1-CD2 3.94Å; I177-F222 HydrophobicContact CD1-CE1 4.14Å; I177-F222 HydrophobicContact CD1-CE2 3.36Å; I177-F222 HydrophobicContact CD1-CZ 3.49Å; I177-F222 VanDerWaalsContact CD1-CZ 3.49Å; I177-L227 HydrophobicContact CG2-CD1 4.29Å; I177-L227 HydrophobicContact CG2-CD2 4.13Å |
| 178 | N | 94.4 | Very high | 92.3 | Very high | 8 Ų | 8 | 34.6 Ų | 34.6 | 4% | 0.043 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 140 | -178.3 | -70.2 | -16.9 | 0 | 0 | 0 | 110.2 | I169 A170 H172 F180 K189 K190 | I169-N178 CarbonylContact C-O 3.49Å; I169-N178 WeakPolarHBondContact CA-O 3.32Å; A170-N178 PolarHBondContact N-O 2.92Å; A170-N178 PolarHBondContact O-N 2.92Å; H172-N178 PolarHBondContact CD2-ND2 3.24Å; H172-N178 PolarHBondContact NE2-ND2 2.78Å; N178-F180 HydrophobicContact CB-CD2 4.26Å; N178-F180 HydrophobicContact CB-CE2 3.57Å; N178-F180 HydrophobicContact CB-CZ 3.93Å; N178-K189 WeakPolarHBondContact CA-O 3.45Å; N178-K190 WeakPolarHBondContact OD1-CB 3.21Å; N178-K190 WeakPolarHBondContact OD1-CG 3.46Å |
| 179 | Q | 94.4 | Very high | 92.1 | Very high | 7 Ų | 7 | 38.5 Ų | 38.5 | 3% | 0.033 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 118.7 | 171.7 | -168.3 | 179.7 | 5.9 | 0 | 0 | 108.7 | F167 V168 V187 L188 K189 L227 | F167-Q179 HydrophobicContact CB-CG 3.92Å; F167-Q179 VanDerWaalsContact CD1-NE2 3.27Å; F167-Q179 HydrophobicContact CD2-CG 3.48Å; F167-Q179 VanDerWaalsContact CD2-CG 3.48Å; F167-Q179 VanDerWaalsContact CE1-NE2 3.28Å; F167-Q179 HydrophobicContact CE2-CG 4.08Å; F167-Q179 HydrophobicContact CG-CG 3.8Å; V168-Q179 CarbonylContact O-C 3.58Å; V168-Q179 WeakPolarHBondContact O-CA 3.48Å; Q179-V187 CarbonylContact O-C 3.58Å; Q179-V187 WeakPolarHBondContact O-CA 3.41Å; Q179-L188 HydrophobicContact CB-CB 4.43Å; Q179-L188 HydrophobicContact CG-CB 4.4Å; Q179-L188 HydrophobicContact CG-CD1 4.38Å; Q179-L188 PolarHBondContact O-N 3.5Å; Q179-K189 HydrophobicContact CB-CB 4.11Å; Q179-K189 PolarHBondContact N-O 3.13Å; Q179-L227 HydrophobicContact CB-CD1 3.84Å |
| 180 | F | 93.4 | Very high | 92 | Very high | 5 Ų | 5 | 42.8 Ų | 42.8 | 2% | 0.022 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 131.1 | 178.6 | -65.8 | -86 | 0 | 0 | 0 | 110.1 | L129 V149 I156 F167 V168 A170 N178 A182 E186 V187 | L129-F180 HydrophobicContact CD2-CD2 4.33Å; L129-F180 HydrophobicContact CD2-CG 4.48Å; V149-F180 HydrophobicContact CG1-CD1 3.87Å; V149-F180 HydrophobicContact CG1-CE1 3.89Å; I156-F180 HydrophobicContact CD1-CE2 4.44Å; F167-F180 CarbonylContact C-O 3.59Å; F167-F180 WeakPolarHBondContact CA-O 3.17Å; F167-F180 WeakPolarHBondContact CB-O 3.17Å; V168-F180 PolarHBondContact N-O 3.36Å; V168-F180 PolarHBondContact O-N 3.41Å; A170-F180 HydrophobicContact CB-CD2 4.09Å; A170-F180 HydrophobicContact CB-CE2 3.77Å; N178-F180 HydrophobicContact CB-CD2 4.26Å; N178-F180 HydrophobicContact CB-CE2 3.57Å; N178-F180 HydrophobicContact CB-CZ 3.93Å; F180-A182 PolarHBondContact O-N 2.84Å; F180-E186 WeakPolarHBondContact CA-O 3.13Å; F180-V187 HydrophobicContact CD1-CG2 3.82Å; F180-V187 HydrophobicContact CE1-CG2 3.4Å; F180-V187 VanDerWaalsContact CE1-CG2 3.4Å; F180-V187 HydrophobicContact CZ-CG2 4.11Å |
| 181 | S | 91.9 | Very high | 92 | Very high | 15 Ų | 15 | 44.5 Ų | 44.5 | 11% | 0.105 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 125.5 | 168.9 | 172 | 0 | 0 | 0 | 0 | 109.7 | K183 S184 G185 E186 | S181-K183 PolarHBondContact O-N 2.97Å; S181-K183 PolarHBondContact OG-N 2.99Å; S181-S184 VanDerWaalsContact CB-OG 3.3Å; S181-S184 WeakPolarHBondContact CB-OG 3.4Å; S181-S184 PolarHBondContact OG-N 2.88Å; S181-S184 PolarHBondContact OG-OG 3.01Å; S181-S184 VanDerWaalsContact OG-OG 3.11Å; S181-G185 WeakPolarHBondContact O-CA 3.35Å; S181-G185 PolarHBondContact O-N 3.34Å; S181-E186 PolarHBondContact N-O 3.1Å |
| 182 | A | 88.1 | Confident | 91.9 | Very high | 7 Ų | 7 | 50.5 Ų | 50.5 | 6% | 0.058 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -18.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y131 L147 W161 G165 E166 F180 | Y131-A182 HydrophobicContact CE1-CB 4.5Å; L147-A182 WeakPolarHBondContact CD2-O 3.33Å; W161-A182 HydrophobicContact CH2-CB 4.22Å; W161-A182 HydrophobicContact CZ3-CB 3.6Å; G165-A182 VanDerWaalsContact O-CB 3.27Å; G165-A182 WeakPolarHBondContact O-CB 3.35Å; E166-A182 WeakPolarHBondContact O-CB 3.23Å; E166-A182 PolarHBondContact O-N 2.91Å; F180-A182 PolarHBondContact O-N 2.84Å |
| 183 | K | 86.4 | Confident | 91.9 | Very high | 164 Ų | 164 | 53.7 Ų | 53.7 | 71% | 0.713 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -47.8 | -179.1 | -65.1 | 176.1 | -176.3 | 163.9 | 0 | 112.4 | S181 | S181-K183 PolarHBondContact O-N 2.97Å; S181-K183 PolarHBondContact OG-N 2.99Å |
| 184 | S | 86.9 | Confident | 92 | Very high | 55 Ų | 55 | 49.6 Ų | 49.6 | 39% | 0.385 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -20.4 | -175.5 | 59.8 | 0 | 0 | 0 | 0 | 113.5 | S181 E186 | S181-S184 VanDerWaalsContact CB-OG 3.3Å; S181-S184 WeakPolarHBondContact CB-OG 3.4Å; S181-S184 PolarHBondContact OG-N 2.88Å; S181-S184 PolarHBondContact OG-OG 3.01Å; S181-S184 VanDerWaalsContact OG-OG 3.11Å; S184-E186 PolarHBondContact O-N 2.86Å; S184-E186 PolarHBondContact OG-N 2.77Å; S184-E186 PolarHBondContact OG-OE2 3.45Å |
| 185 | G | 86.3 | Confident | 92 | Very high | 8 Ų | 8 | 54.3 Ų | 54.3 | 8% | 0.082 | 27% | 0.273 | C | S | . | . | trans | 75.9 | 2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | V149 S181 | V149-G185 WeakPolarHBondContact CG1-O 3.42Å; S181-G185 WeakPolarHBondContact O-CA 3.35Å; S181-G185 PolarHBondContact O-N 3.34Å | ||
| 186 | E | 90.4 | Very high | 92.1 | Very high | 132 Ų | 132 | 60 Ų | 60 | 62% | 0.617 | 30% | 0.297 | S | S | * | . | trans | -73.8 | 147.7 | 179.7 | -65.5 | 175.3 | 155 | 0 | 0 | 111.4 | F180 S181 S184 L188 | F180-E186 WeakPolarHBondContact CA-O 3.13Å; S181-E186 PolarHBondContact N-O 3.1Å; S184-E186 PolarHBondContact O-N 2.86Å; S184-E186 PolarHBondContact OG-N 2.77Å; S184-E186 PolarHBondContact OG-OE2 3.45Å; E186-L188 PolarHBondContact O-N 2.93Å | ||
| 187 | V | 92.3 | Very high | 92.1 | Very high | 75 Ų | 75 | 60.6 Ų | 60.6 | 46% | 0.455 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 109.4 | 172.8 | -177.6 | 0 | 0 | 0 | 0 | 108.2 | Q179 F180 K189 K190 | Q179-V187 CarbonylContact O-C 3.58Å; Q179-V187 WeakPolarHBondContact O-CA 3.41Å; F180-V187 HydrophobicContact CD1-CG2 3.82Å; F180-V187 HydrophobicContact CE1-CG2 3.4Å; F180-V187 VanDerWaalsContact CE1-CG2 3.4Å; F180-V187 HydrophobicContact CZ-CG2 4.11Å; V187-K189 WeakPolarHBondContact CG1-O 3.44Å; V187-K190 HydrophobicContact CG1-CB 4.2Å |
| 188 | L | 91 | Very high | 92.1 | Very high | 92 Ų | 92 | 60.5 Ų | 60.5 | 48% | 0.482 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | -46.5 | 175.9 | -63.3 | 178.3 | 0 | 0 | 0 | 110.7 | F167 Q179 E186 | F167-L188 HydrophobicContact CB-CD1 4.17Å; Q179-L188 HydrophobicContact CB-CB 4.43Å; Q179-L188 HydrophobicContact CG-CB 4.4Å; Q179-L188 HydrophobicContact CG-CD1 4.38Å; Q179-L188 PolarHBondContact O-N 3.5Å; E186-L188 PolarHBondContact O-N 2.93Å |
| 189 | K | 91.6 | Very high | 92.1 | Very high | 82 Ų | 82 | 62 Ų | 62 | 36% | 0.357 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 149 | -176.7 | -64.7 | -172.5 | -175.5 | 173.9 | 0 | 110.7 | N178 Q179 V187 T225 T226 L227 | N178-K189 WeakPolarHBondContact CA-O 3.45Å; Q179-K189 HydrophobicContact CB-CB 4.11Å; Q179-K189 PolarHBondContact N-O 3.13Å; V187-K189 WeakPolarHBondContact CG1-O 3.44Å; K189-T225 PolarHBondContact NZ-O 3.28Å; K189-T226 WeakPolarHBondContact CD-O 3.22Å; K189-T226 VanDerWaalsContact NZ-CA 3.26Å; K189-T226 PolarHBondContact NZ-O 2.95Å; K189-T226 VanDerWaalsContact NZ-O 3.08Å; K189-L227 HydrophobicContact CB-CD1 3.97Å |
| 190 | K | 93.3 | Very high | 92.2 | Very high | 89 Ų | 89 | 62.4 Ų | 62.4 | 39% | 0.387 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 124.9 | -179.3 | 170.2 | 163.6 | -168.1 | -175.1 | 0 | 109 | E153 E176 N178 V187 | E153-K190 IonicContact OE2-NZ 3.48Å; E153-K190 PolarHBondContact OE2-NZ 2.91Å; E176-K190 VanDerWaalsContact CD-NZ 3.29Å; E176-K190 VanDerWaalsContact OE1-CE 3.23Å; E176-K190 WeakPolarHBondContact OE1-CE 3.36Å; E176-K190 IonicContact OE1-NZ 3.17Å; E176-K190 PolarHBondContact OE1-NZ 3.14Å; E176-K190 WeakPolarHBondContact OE2-CE 3.13Å; E176-K190 IonicContact OE2-NZ 3.59Å; E176-K190 PolarHBondContact OE2-NZ 3.06Å; N178-K190 WeakPolarHBondContact OD1-CB 3.21Å; N178-K190 WeakPolarHBondContact OD1-CG 3.46Å; V187-K190 HydrophobicContact CG1-CB 4.2Å |
| 191 | V | 94.9 | Very high | 92.3 | Very high | 36 Ų | 36 | 62.3 Ų | 62.3 | 22% | 0.218 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 136.4 | -177.5 | 172.5 | 0 | 0 | 0 | 0 | 108.8 | E176 I177 E193 L227 | E176-V191 CarbonylContact C-O 3.55Å; E176-V191 WeakPolarHBondContact CA-O 3.13Å; I177-V191 PolarHBondContact N-O 2.84Å; I177-V191 PolarHBondContact O-N 2.96Å; V191-E193 HydrophobicContact CG1-CB 4.34Å; V191-E193 HydrophobicContact CG1-CG 3.37Å; V191-L227 HydrophobicContact CG2-CB 4.02Å |
| 192 | K | 94.1 | Very high | 92.5 | Very high | 127 Ų | 127 | 62.8 Ų | 62.8 | 55% | 0.552 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 97.3 | 178.1 | -171 | 173.8 | -177.9 | 173.3 | 0 | 110.7 | E176 | E176-K192 HydrophobicContact CG-CB 3.91Å; E176-K192 HydrophobicContact CG-CD 3.98Å; E176-K192 HydrophobicContact CG-CG 3.79Å |
| 193 | E | 93 | Very high | 92.7 | Very high | 70 Ų | 70 | 64.4 Ų | 64.4 | 33% | 0.327 | 32% | 0.32 | S | S | . | . | trans | -118.6 | -18.7 | -172.8 | -77.3 | -70 | 151.2 | 0 | 0 | 113.4 | V191 K220 F222 | V191-E193 HydrophobicContact CG1-CB 4.34Å; V191-E193 HydrophobicContact CG1-CG 3.37Å; E193-K220 HydrophobicContact CB-CD 4.1Å; E193-K220 PolarHBondContact O-NZ 2.99Å; E193-K220 IonicContact OE2-NZ 2.71Å; E193-K220 PolarHBondContact OE2-NZ 2.92Å; E193-F222 HydrophobicContact CB-CE1 4.08Å; E193-F222 HydrophobicContact CB-CZ 3.77Å; E193-F222 HydrophobicContact CG-CE1 3.88Å; E193-F222 HydrophobicContact CG-CZ 4.11Å | ||
| 194 | H | 94.5 | Very high | 93 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | trans | -102.4 | 150 | 174.1 | -72.3 | -73.4 | 0 | 0 | 0 | 111.6 | G175 I198 T212 S214 D216 S218 | G175-H194 PolarHBondContact O-N 3.43Å; G175-H194 VanDerWaalsContact O-N 3.17Å; H194-I198 HydrophobicContact CB-CG1 4.24Å; H194-T212 PolarHBondContact NE2-OG1 2.86Å; H194-S214 WeakPolarHBondContact ND1-CB 3.49Å; H194-D216 WeakPolarHBondContact CA-OD2 3.28Å; H194-D216 WeakPolarHBondContact CB-OD2 3.41Å; H194-D216 IonicContact CG-OD2 3.84Å; H194-D216 IonicContact ND1-OD1 3Å; H194-D216 PolarHBondContact ND1-OD1 3.15Å; H194-D216 IonicContact ND1-OD2 3.87Å; H194-D216 PolarHBondContact ND1-OD2 2.93Å; H194-S218 PolarHBondContact CE1-OG 3.05Å; H194-S218 VanDerWaalsContact CE1-OG 3.3Å; H194-S218 PolarHBondContact ND1-OG 2.67Å | ||
| 195 | N | 93.3 | Very high | 93.1 | Very high | 146 Ų | 146 | 57.1 Ų | 57.1 | 78% | 0.781 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -95.8 | -11.8 | 177.8 | -69.6 | -43.3 | 0 | 0 | 0 | 112.8 | D216 | N195-D216 HydrophobicContact CB-CB 4.44Å; N195-D216 PolarHBondContact N-OD2 3.47Å |
| 196 | K | 93.8 | Very high | 93.1 | Very high | 118 Ų | 118 | 61.6 Ų | 61.6 | 51% | 0.513 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -134.9 | 177.4 | 178.8 | -65.8 | -172.3 | -177.9 | 175.1 | 0 | 110.1 | G175 I198 S214 K215 D216 | G175-K196 VanDerWaalsContact CA-O 3.23Å; G175-K196 WeakPolarHBondContact CA-O 3.1Å; K196-I198 PolarHBondContact O-N 2.79Å; K196-S214 PolarHBondContact O-OG 2.88Å; K196-K215 HydrophobicContact CB-CB 4.13Å; K196-K215 HydrophobicContact CD-CB 4.12Å; K196-K215 WeakPolarHBondContact CD-O 3.38Å; K196-D216 HydrophobicContact CB-CB 4Å; K196-D216 HydrophobicContact CD-CB 4.28Å; K196-D216 HydrophobicContact CG-CB 4.05Å |
| 197 | Q | 94.5 | Very high | 93.1 | Very high | 35 Ų | 35 | 56.5 Ų | 56.5 | 16% | 0.164 | 29% | 0.286 | C | S | . | . | trans | -50.8 | 128.2 | 175.9 | 174.9 | 173.6 | 40.8 | 0 | 0 | 112.7 | T157 E173 S214 K215 | T157-Q197 HydrophobicContact CG2-CG 4.03Å; E173-Q197 HydrophobicContact CG-CB 4.19Å; E173-Q197 HydrophobicContact CG-CG 4.3Å; E173-Q197 WeakPolarHBondContact O-CA 3.23Å; E173-Q197 PolarHBondContact O-N 2.86Å; E173-Q197 VanDerWaalsContact O-N 3.16Å; Q197-S214 WeakPolarHBondContact O-CA 3.27Å; Q197-S214 PolarHBondContact O-OG 2.79Å; Q197-K215 PolarHBondContact O-N 2.8Å; Q197-K215 VanDerWaalsContact O-N 3.09Å | ||
| 198 | I | 96.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 123 | 165.4 | -56.6 | 175.9 | 0 | 0 | 0 | 107.1 | T157 H172 I177 H194 K196 D200 I201 A213 | T157-I198 VanDerWaalsContact CB-O 3.23Å; T157-I198 WeakPolarHBondContact CB-O 3.13Å; T157-I198 PolarHBondContact OG1-O 2.9Å; H172-I198 PolarHBondContact O-N 2.96Å; I177-I198 HydrophobicContact CD1-CD1 4.26Å; I177-I198 HydrophobicContact CG1-CD1 3.48Å; I177-I198 VanDerWaalsContact CG1-CD1 3.48Å; H194-I198 HydrophobicContact CB-CG1 4.24Å; K196-I198 PolarHBondContact O-N 2.79Å; I198-D200 WeakPolarHBondContact CG2-O 3.43Å; I198-I201 HydrophobicContact CG2-CD1 4.09Å; I198-I201 HydrophobicContact CG2-CG1 3.69Å; I198-A213 CarbonylContact C-O 3.58Å; I198-A213 WeakPolarHBondContact CA-O 3.36Å |
| 199 | N | 94.2 | Very high | 93.2 | Very high | 39 Ų | 39 | 54.9 Ų | 54.9 | 21% | 0.209 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -38.9 | -179 | -70.4 | -37.9 | 0 | 0 | 0 | 111.7 | A213 K215 V239 N240 | N199-A213 PolarHBondContact N-O 3.17Å; N199-K215 WeakPolarHBondContact ND2-CG 3.29Å; N199-K215 VanDerWaalsContact OD1-CE 3.29Å; N199-K215 WeakPolarHBondContact OD1-CE 3.5Å; N199-V239 PolarHBondContact ND2-O 2.93Å; N199-N240 WeakPolarHBondContact CB-O 3.12Å |
| 200 | D | 95.9 | Very high | 93.4 | Very high | 16 Ų | 16 | 51 Ų | 51 | 9% | 0.086 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 150.1 | -174.2 | -166.3 | 22.6 | 0 | 0 | 0 | 110.6 | I198 Q202 A213 N240 S241 | I198-D200 WeakPolarHBondContact CG2-O 3.43Å; D200-Q202 PolarHBondContact OD2-NE2 3.37Å; D200-A213 HydrophobicContact CB-CB 4.18Å; D200-A213 PolarHBondContact N-O 2.88Å; D200-A213 PolarHBondContact O-N 3.02Å; D200-N240 WeakPolarHBondContact CB-O 3.31Å; D200-S241 WeakPolarHBondContact OD2-CB 3.01Å; D200-S241 PolarHBondContact OD2-OG 3.36Å |
| 201 | I | 96.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 128.8 | 175.3 | -61.8 | -173.7 | 0 | 0 | 0 | 106.1 | S158 V160 I198 V210 I211 T212 | S158-I201 PolarHBondContact OG-N 3.14Å; V160-I201 HydrophobicContact CG1-CB 4.41Å; V160-I201 HydrophobicContact CG1-CG2 4.3Å; V160-I201 WeakPolarHBondContact CG1-O 3.16Å; V160-I201 HydrophobicContact CG2-CB 4.42Å; V160-I201 HydrophobicContact CG2-CG2 3.56Å; I198-I201 HydrophobicContact CG2-CD1 4.09Å; I198-I201 HydrophobicContact CG2-CG1 3.69Å; I201-V210 HydrophobicContact CG2-CG2 3.18Å; I201-I211 WeakPolarHBondContact CA-O 3.36Å; I201-T212 HydrophobicContact CD1-CG2 4.34Å; I201-T212 HydrophobicContact CG1-CG2 4.11Å |
| 202 | Q | 95.4 | Very high | 93.7 | Very high | 25 Ų | 25 | 45 Ų | 45 | 12% | 0.117 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 142.1 | 175.6 | -60.2 | -167.3 | 23 | 0 | 0 | 110 | D200 V210 I211 S241 A242 A243 V298 | D200-Q202 PolarHBondContact OD2-NE2 3.37Å; Q202-V210 WeakPolarHBondContact O-CA 3.42Å; Q202-V210 WeakPolarHBondContact O-CG2 3.4Å; Q202-I211 HydrophobicContact CB-CG2 4.03Å; Q202-I211 PolarHBondContact N-O 3.48Å; Q202-I211 WeakPolarHBondContact O-CG2 3.18Å; Q202-I211 PolarHBondContact O-N 2.88Å; Q202-S241 PolarHBondContact NE2-OG 2.85Å; Q202-A242 VanDerWaalsContact CD-O 3.27Å; Q202-A242 WeakPolarHBondContact CG-O 3.48Å; Q202-A242 PolarHBondContact NE2-O 2.9Å; Q202-A243 VanDerWaalsContact OE1-CB 3.26Å; Q202-V298 PolarHBondContact NE2-O 3.01Å |
| 203 | T | 93.6 | Very high | 93.8 | Very high | 42 Ų | 42 | 39 Ų | 39 | 26% | 0.258 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 156.5 | 174.8 | 49 | 0 | 0 | 0 | 0 | 110.8 | V160 L207 M209 V210 | V160-T203 HydrophobicContact CB-CG2 4.19Å; V160-T203 HydrophobicContact CG2-CG2 3.76Å; T203-L207 HydrophobicContact CG2-CD2 4.29Å; T203-L207 WeakPolarHBondContact OG1-CD2 3.32Å; T203-M209 WeakPolarHBondContact CA-O 3.47Å; T203-V210 HydrophobicContact CG2-CG2 4.28Å |
| 204 | S | 92.4 | Very high | 94 | Very high | 12 Ų | 12 | 35.7 Ų | 35.7 | 8% | 0.084 | 19% | 0.188 | C | C | . | . | trans | -68.3 | 162.5 | 165.4 | 56.3 | 0 | 0 | 0 | 0 | 110.8 | D206 L207 T208 M209 | S204-D206 WeakPolarHBondContact CB-OD1 3.41Å; S204-D206 PolarHBondContact O-N 3.49Å; S204-D206 PolarHBondContact OG-OD1 2.86Å; S204-L207 WeakPolarHBondContact O-CA 3.44Å; S204-L207 PolarHBondContact O-N 3Å; S204-L207 PolarHBondContact OG-N 3.28Å; S204-T208 PolarHBondContact OG-N 3.17Å; S204-M209 PolarHBondContact N-O 2.81Å; S204-M209 PolarHBondContact OG-N 2.96Å; S204-M209 PolarHBondContact OG-O 2.88Å | ||
| 205 | V | 88.2 | Confident | 93.9 | Very high | 54 Ų | 54 | 39.7 Ų | 39.7 | 33% | 0.327 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -26.9 | -176.8 | 172.3 | 0 | 0 | 0 | 0 | 113.2 | R27 P246 | R27-V205 PolarHBondContact NH1-O 3.07Å; R27-V205 VanDerWaalsContact NH2-CG1 3.31Å; R27-V205 PolarHBondContact NH2-O 2.99Å; V205-P246 HydrophobicContact CG2-CB 3.73Å; V205-P246 HydrophobicContact CG2-CG 3.67Å |
| 206 | D | 87.8 | Confident | 93.9 | Very high | 101 Ų | 101 | 34.3 Ų | 34.3 | 54% | 0.54 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -1.4 | 174.8 | 68 | -17.5 | 0 | 0 | 0 | 113.4 | S204 T208 | S204-D206 WeakPolarHBondContact CB-OD1 3.41Å; S204-D206 PolarHBondContact O-N 3.49Å; S204-D206 PolarHBondContact OG-OD1 2.86Å; D206-T208 HydrophobicContact CB-CG2 4.27Å; D206-T208 PolarHBondContact O-N 3.44Å; D206-T208 VanDerWaalsContact O-N 3.16Å; D206-T208 PolarHBondContact OD1-N 3.26Å; D206-T208 PolarHBondContact OD1-OG1 3.23Å; D206-T208 VanDerWaalsContact OD1-OG1 3.07Å; D206-T208 WeakPolarHBondContact OD2-CB 3.46Å; D206-T208 WeakPolarHBondContact OD2-CG2 3.19Å; D206-T208 PolarHBondContact OD2-OG1 2.93Å |
| 207 | L | 90.1 | Very high | 93.8 | Very high | 26 Ų | 26 | 30.2 Ų | 30.2 | 14% | 0.136 | 16% | 0.163 | C | C | . | . | S | Bend | trans | 63 | 9 | -179.1 | -51.7 | 173.6 | 0 | 0 | 0 | 115.3 | F110 P163 T203 S204 S224 | F110-L207 HydrophobicContact CD2-CD1 4.26Å; P163-L207 HydrophobicContact CB-CB 4.43Å; P163-L207 WeakPolarHBondContact CD-O 3.48Å; P163-L207 HydrophobicContact CG-CB 3.96Å; P163-L207 WeakPolarHBondContact CG-O 3.4Å; T203-L207 HydrophobicContact CG2-CD2 4.29Å; T203-L207 WeakPolarHBondContact OG1-CD2 3.32Å; S204-L207 WeakPolarHBondContact O-CA 3.44Å; S204-L207 PolarHBondContact O-N 3Å; S204-L207 PolarHBondContact OG-N 3.28Å; L207-S224 VanDerWaalsContact O-CB 3.24Å; L207-S224 WeakPolarHBondContact O-CB 3.37Å; L207-S224 PolarHBondContact O-OG 3.29Å |
| 208 | T | 91.4 | Very high | 93.8 | Very high | 58 Ų | 58 | 29.1 Ų | 29.1 | 36% | 0.356 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -79.1 | -27.1 | -178 | 63.9 | 0 | 0 | 0 | 0 | 112.9 | S204 D206 S224 | S204-T208 PolarHBondContact OG-N 3.17Å; D206-T208 HydrophobicContact CB-CG2 4.27Å; D206-T208 PolarHBondContact O-N 3.44Å; D206-T208 VanDerWaalsContact O-N 3.16Å; D206-T208 PolarHBondContact OD1-N 3.26Å; D206-T208 PolarHBondContact OD1-OG1 3.23Å; D206-T208 VanDerWaalsContact OD1-OG1 3.07Å; D206-T208 WeakPolarHBondContact OD2-CB 3.46Å; D206-T208 WeakPolarHBondContact OD2-CG2 3.19Å; D206-T208 PolarHBondContact OD2-OG1 2.93Å; T208-S224 PolarHBondContact O-N 3.21Å; T208-S224 PolarHBondContact O-OG 2.79Å |
| 209 | M | 94.1 | Very high | 93.8 | Very high | 75 Ų | 75 | 29.1 Ų | 29.1 | 37% | 0.369 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 153.1 | -179.5 | -61.4 | -174.2 | -174.4 | 0 | 0 | 110.7 | T203 S204 L221 F222 I230 I244 | T203-M209 WeakPolarHBondContact CA-O 3.47Å; S204-M209 PolarHBondContact N-O 2.81Å; S204-M209 PolarHBondContact OG-N 2.96Å; S204-M209 PolarHBondContact OG-O 2.88Å; M209-L221 HydrophobicContact CB-CD1 4.1Å; M209-L221 HydrophobicContact SD-CD1 4.47Å; M209-L221 HydrophobicContact SD-CD2 3.88Å; M209-L221 HydrophobicContact SD-CG 4.37Å; M209-F222 WeakPolarHBondContact CA-O 3.34Å; M209-I230 HydrophobicContact CG-CD1 4.47Å; M209-I230 HydrophobicContact SD-CD1 4.49Å; M209-I244 HydrophobicContact CB-CD1 4.1Å |
| 210 | V | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 131.4 | 174.4 | 68.2 | 0 | 0 | 0 | 0 | 109.5 | V160 I169 I201 Q202 T203 F222 | V160-V210 HydrophobicContact CG2-CG2 4.31Å; I169-V210 HydrophobicContact CD1-CB 4.27Å; I169-V210 HydrophobicContact CD1-CG1 4.04Å; I169-V210 HydrophobicContact CD1-CG2 4.45Å; I201-V210 HydrophobicContact CG2-CG2 3.18Å; Q202-V210 WeakPolarHBondContact O-CA 3.42Å; Q202-V210 WeakPolarHBondContact O-CG2 3.4Å; T203-V210 HydrophobicContact CG2-CG2 4.28Å; V210-F222 HydrophobicContact CG1-CB 3.71Å; V210-F222 PolarHBondContact N-O 3.14Å; V210-F222 PolarHBondContact O-N 3.32Å |
| 211 | I | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 136.6 | 174.5 | -166.4 | 164.5 | 0 | 0 | 0 | 109.5 | I201 Q202 S219 K220 L221 A242 I244 V251 | I201-I211 WeakPolarHBondContact CA-O 3.36Å; Q202-I211 HydrophobicContact CB-CG2 4.03Å; Q202-I211 PolarHBondContact N-O 3.48Å; Q202-I211 WeakPolarHBondContact O-CG2 3.18Å; Q202-I211 PolarHBondContact O-N 2.88Å; I211-S219 WeakPolarHBondContact CD1-OG 3.39Å; I211-S219 VanDerWaalsContact CG1-OG 3.25Å; I211-S219 WeakPolarHBondContact CG1-OG 3.11Å; I211-K220 WeakPolarHBondContact CA-O 3.31Å; I211-L221 HydrophobicContact CB-CD1 4.14Å; I211-A242 HydrophobicContact CD1-CB 3.78Å; I211-A242 HydrophobicContact CG1-CB 3.88Å; I211-A242 HydrophobicContact CG2-CB 4.3Å; I211-A242 WeakPolarHBondContact CG2-O 3.45Å; I211-I244 HydrophobicContact CB-CD1 3.94Å; I211-I244 HydrophobicContact CB-CG1 3.75Å; I211-I244 HydrophobicContact CD1-CG1 4.28Å; I211-I244 HydrophobicContact CG2-CD1 4.09Å; I211-I244 HydrophobicContact CG2-CG1 3.68Å; I211-V251 HydrophobicContact CD1-CB 3.71Å; I211-V251 HydrophobicContact CD1-CG1 3.69Å; I211-V251 HydrophobicContact CD1-CG2 4.23Å |
| 212 | T | 96.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 147.1 | 175.2 | 61.7 | 0 | 0 | 0 | 0 | 110.4 | I177 H194 I201 S219 K220 F222 | I177-T212 HydrophobicContact CD1-CG2 3.7Å; I177-T212 HydrophobicContact CG1-CG2 4.36Å; H194-T212 PolarHBondContact NE2-OG1 2.86Å; I201-T212 HydrophobicContact CD1-CG2 4.34Å; I201-T212 HydrophobicContact CG1-CG2 4.11Å; T212-S219 WeakPolarHBondContact O-CA 3.22Å; T212-S219 VanDerWaalsContact O-CB 3.23Å; T212-S219 WeakPolarHBondContact O-CB 3.44Å; T212-S219 PolarHBondContact O-OG 2.9Å; T212-K220 PolarHBondContact N-O 2.88Å; T212-K220 PolarHBondContact O-N 2.89Å; T212-K220 PolarHBondContact OG1-N 3.35Å; T212-K220 PolarHBondContact OG1-O 3.38Å; T212-F222 HydrophobicContact CG2-CD2 3.96Å; T212-F222 HydrophobicContact CG2-CE2 3.8Å |
| 213 | A | 96.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 129.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | I198 N199 D200 V239 A242 | I198-A213 CarbonylContact C-O 3.58Å; I198-A213 WeakPolarHBondContact CA-O 3.36Å; N199-A213 PolarHBondContact N-O 3.17Å; D200-A213 HydrophobicContact CB-CB 4.18Å; D200-A213 PolarHBondContact N-O 2.88Å; D200-A213 PolarHBondContact O-N 3.02Å; A213-V239 HydrophobicContact CB-CB 4.26Å; A213-V239 HydrophobicContact CB-CG1 3.73Å; A213-A242 HydrophobicContact CB-CB 3.93Å |
| 214 | S | 96.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 153.5 | -175.8 | 176.9 | 0 | 0 | 0 | 0 | 113.3 | H194 K196 Q197 D216 C217 S218 V239 | H194-S214 WeakPolarHBondContact ND1-CB 3.49Å; K196-S214 PolarHBondContact O-OG 2.88Å; Q197-S214 WeakPolarHBondContact O-CA 3.27Å; Q197-S214 PolarHBondContact O-OG 2.79Å; S214-D216 VanDerWaalsContact CB-OD1 3.23Å; S214-D216 WeakPolarHBondContact CB-OD1 3.33Å; S214-D216 PolarHBondContact O-N 2.92Å; S214-D216 PolarHBondContact OG-N 2.88Å; S214-D216 PolarHBondContact OG-OD1 2.97Å; S214-D216 PolarHBondContact OG-OD2 3.45Å; S214-C217 PolarHBondContact O-N 3.44Å; S214-S218 PolarHBondContact N-O 2.86Å; S214-S218 VanDerWaalsContact N-O 3.13Å; S214-V239 CarbonylContact C-O 3.58Å; S214-V239 PolarHBondContact O-N 3.37Å; S214-V239 VanDerWaalsContact O-N 3.17Å |
| 215 | K | 92.8 | Very high | 93.8 | Very high | 84 Ų | 84 | 29.5 Ų | 29.5 | 37% | 0.365 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -6.8 | 173.4 | -67.7 | -171.5 | 174.8 | 161.7 | 0 | 113.8 | K196 Q197 N199 C217 | K196-K215 HydrophobicContact CB-CB 4.13Å; K196-K215 HydrophobicContact CD-CB 4.12Å; K196-K215 WeakPolarHBondContact CD-O 3.38Å; Q197-K215 PolarHBondContact O-N 2.8Å; Q197-K215 VanDerWaalsContact O-N 3.09Å; N199-K215 WeakPolarHBondContact ND2-CG 3.29Å; N199-K215 VanDerWaalsContact OD1-CE 3.29Å; N199-K215 WeakPolarHBondContact OD1-CE 3.5Å; K215-C217 PolarHBondContact O-N 3.48Å |
| 216 | D | 92.8 | Very high | 93.9 | Very high | 33 Ų | 33 | 29 Ų | 29 | 18% | 0.176 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 12.5 | 174.7 | 64.1 | 15.1 | 0 | 0 | 0 | 113.8 | H194 N195 K196 S214 S218 | H194-D216 WeakPolarHBondContact CA-OD2 3.28Å; H194-D216 WeakPolarHBondContact CB-OD2 3.41Å; H194-D216 IonicContact CG-OD2 3.84Å; H194-D216 IonicContact ND1-OD1 3Å; H194-D216 PolarHBondContact ND1-OD1 3.15Å; H194-D216 IonicContact ND1-OD2 3.87Å; H194-D216 PolarHBondContact ND1-OD2 2.93Å; N195-D216 HydrophobicContact CB-CB 4.44Å; N195-D216 PolarHBondContact N-OD2 3.47Å; K196-D216 HydrophobicContact CB-CB 4Å; K196-D216 HydrophobicContact CD-CB 4.28Å; K196-D216 HydrophobicContact CG-CB 4.05Å; S214-D216 VanDerWaalsContact CB-OD1 3.23Å; S214-D216 WeakPolarHBondContact CB-OD1 3.33Å; S214-D216 PolarHBondContact O-N 2.92Å; S214-D216 PolarHBondContact OG-N 2.88Å; S214-D216 PolarHBondContact OG-OD1 2.97Å; S214-D216 PolarHBondContact OG-OD2 3.45Å; D216-S218 VanDerWaalsContact CG-OG 3.32Å; D216-S218 PolarHBondContact O-N 2.86Å; D216-S218 WeakPolarHBondContact OD1-CB 3.47Å; D216-S218 PolarHBondContact OD1-N 2.83Å; D216-S218 PolarHBondContact OD1-OG 3.12Å |
| 217 | C | 92.9 | Very high | 94.1 | Very high | 33 Ų | 33 | 24.2 Ų | 24.2 | 22% | 0.223 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 28.6 | -178.2 | -47.9 | 0 | 0 | 0 | 0 | 112.7 | S214 K215 T235 P238 | S214-C217 PolarHBondContact O-N 3.44Å; K215-C217 PolarHBondContact O-N 3.48Å; C217-T235 VanDerWaalsContact CB-O 3.3Å; C217-T235 WeakPolarHBondContact CB-O 3.49Å; C217-T235 PolarHBondContact O-N 3.27Å; C217-T235 PolarHBondContact O-OG1 3.09Å; C217-P238 VanDerWaalsContact SG-N 3.4Å |
| 218 | S | 94.1 | Very high | 94.2 | Very high | 12 Ų | 12 | 27.9 Ų | 27.9 | 8% | 0.084 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 148.9 | 172.3 | 73.6 | 0 | 0 | 0 | 0 | 111.8 | H194 S214 D216 F233 | H194-S218 PolarHBondContact CE1-OG 3.05Å; H194-S218 VanDerWaalsContact CE1-OG 3.3Å; H194-S218 PolarHBondContact ND1-OG 2.67Å; S214-S218 PolarHBondContact N-O 2.86Å; S214-S218 VanDerWaalsContact N-O 3.13Å; D216-S218 VanDerWaalsContact CG-OG 3.32Å; D216-S218 PolarHBondContact O-N 2.86Å; D216-S218 WeakPolarHBondContact OD1-CB 3.47Å; D216-S218 PolarHBondContact OD1-N 2.83Å; D216-S218 PolarHBondContact OD1-OG 3.12Å; S218-F233 WeakPolarHBondContact CA-O 3.33Å |
| 219 | S | 96.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 138.5 | 161 | 179.5 | 0 | 0 | 0 | 0 | 107.9 | I211 T212 F233 A242 M253 | I211-S219 WeakPolarHBondContact CD1-OG 3.39Å; I211-S219 VanDerWaalsContact CG1-OG 3.25Å; I211-S219 WeakPolarHBondContact CG1-OG 3.11Å; T212-S219 WeakPolarHBondContact O-CA 3.22Å; T212-S219 VanDerWaalsContact O-CB 3.23Å; T212-S219 WeakPolarHBondContact O-CB 3.44Å; T212-S219 PolarHBondContact O-OG 2.9Å; S219-F233 PolarHBondContact N-O 3.23Å; S219-F233 PolarHBondContact O-N 2.84Å; S219-A242 WeakPolarHBondContact OG-CB 3.39Å; S219-M253 WeakPolarHBondContact CB-SD 3.5Å |
| 220 | K | 96.4 | Very high | 94.4 | Very high | 26 Ų | 26 | 28.3 Ų | 28.3 | 11% | 0.113 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 142.4 | -178.2 | -71.4 | -177 | 170.1 | -169.6 | 0 | 109.7 | E193 I211 T212 F222 K231 S232 | E193-K220 HydrophobicContact CB-CD 4.1Å; E193-K220 PolarHBondContact O-NZ 2.99Å; E193-K220 IonicContact OE2-NZ 2.71Å; E193-K220 PolarHBondContact OE2-NZ 2.92Å; I211-K220 WeakPolarHBondContact CA-O 3.31Å; T212-K220 PolarHBondContact N-O 2.88Å; T212-K220 PolarHBondContact O-N 2.89Å; T212-K220 PolarHBondContact OG1-N 3.35Å; T212-K220 PolarHBondContact OG1-O 3.38Å; K220-F222 HydrophobicContact CB-CD2 4.23Å; K220-F222 HydrophobicContact CB-CE2 3.34Å; K220-F222 HydrophobicContact CB-CZ 3.6Å; K220-F222 HydrophobicContact CD-CE2 4.43Å; K220-F222 HydrophobicContact CD-CZ 3.87Å; K220-F222 HydrophobicContact CG-CZ 4.4Å; K220-K231 WeakPolarHBondContact CA-O 3.37Å; K220-S232 WeakPolarHBondContact CE-OG 3.4Å |
| 221 | L | 96.3 | Very high | 94.3 | Very high | 8 Ų | 8 | 31.3 Ų | 31.3 | 4% | 0.042 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 132 | 174.5 | -168.4 | 68.5 | 0 | 0 | 0 | 108.8 | M209 I211 I230 K231 F233 I244 | M209-L221 HydrophobicContact CB-CD1 4.1Å; M209-L221 HydrophobicContact SD-CD1 4.47Å; M209-L221 HydrophobicContact SD-CD2 3.88Å; M209-L221 HydrophobicContact SD-CG 4.37Å; I211-L221 HydrophobicContact CB-CD1 4.14Å; L221-I230 HydrophobicContact CG-CD1 4.42Å; L221-I230 PolarHBondContact O-N 2.7Å; L221-K231 HydrophobicContact CB-CB 4.11Å; L221-K231 PolarHBondContact N-O 3.42Å; L221-K231 PolarHBondContact O-N 2.81Å; L221-F233 HydrophobicContact CB-CE2 4.2Å; L221-I244 HydrophobicContact CD1-CD1 3.59Å; L221-I244 HydrophobicContact CD1-CG1 4.13Å |
| 222 | F | 96 | Very high | 94.2 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 0% | 0.004 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 153.3 | 179 | -58.5 | -91.2 | 0 | 0 | 0 | 110.5 | I177 E193 M209 V210 T212 K220 D228 H229 | I177-F222 HydrophobicContact CD1-CD2 3.94Å; I177-F222 HydrophobicContact CD1-CE1 4.14Å; I177-F222 HydrophobicContact CD1-CE2 3.36Å; I177-F222 HydrophobicContact CD1-CZ 3.49Å; I177-F222 VanDerWaalsContact CD1-CZ 3.49Å; E193-F222 HydrophobicContact CB-CE1 4.08Å; E193-F222 HydrophobicContact CB-CZ 3.77Å; E193-F222 HydrophobicContact CG-CE1 3.88Å; E193-F222 HydrophobicContact CG-CZ 4.11Å; M209-F222 WeakPolarHBondContact CA-O 3.34Å; V210-F222 HydrophobicContact CG1-CB 3.71Å; V210-F222 PolarHBondContact N-O 3.14Å; V210-F222 PolarHBondContact O-N 3.32Å; T212-F222 HydrophobicContact CG2-CD2 3.96Å; T212-F222 HydrophobicContact CG2-CE2 3.8Å; K220-F222 HydrophobicContact CB-CD2 4.23Å; K220-F222 HydrophobicContact CB-CE2 3.34Å; K220-F222 HydrophobicContact CB-CZ 3.6Å; K220-F222 HydrophobicContact CD-CE2 4.43Å; K220-F222 HydrophobicContact CD-CZ 3.87Å; K220-F222 HydrophobicContact CG-CZ 4.4Å; F222-D228 VanDerWaalsContact CA-O 3.27Å; F222-D228 WeakPolarHBondContact CA-O 3.46Å; F222-H229 HydrophobicContact CD1-CB 4.15Å; F222-H229 HydrophobicContact CE1-CB 3.84Å; F222-H229 AromaticContact CE1-CD2 3.96Å |
| 223 | D | 94.9 | Very high | 94.1 | Very high | 42 Ų | 42 | 32.5 Ų | 32.5 | 23% | 0.225 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 130.6 | 163.5 | 168 | 8.5 | 0 | 0 | 0 | 108.6 | T225 T226 L227 D228 I230 | D223-T225 VanDerWaalsContact C-N 3.26Å; D223-T225 PolarHBondContact O-N 2.86Å; D223-T225 PolarHBondContact OD1-N 2.74Å; D223-T225 PolarHBondContact OD1-OG1 3.21Å; D223-T225 PolarHBondContact OD2-OG1 2.86Å; D223-T226 VanDerWaalsContact CB-OG1 3.25Å; D223-T226 WeakPolarHBondContact CB-OG1 3.43Å; D223-T226 WeakPolarHBondContact OD2-CB 3.45Å; D223-T226 VanDerWaalsContact OD2-CG2 3.28Å; D223-T226 WeakPolarHBondContact OD2-CG2 3.3Å; D223-T226 PolarHBondContact OD2-OG1 3.4Å; D223-L227 WeakPolarHBondContact O-CA 3.29Å; D223-L227 PolarHBondContact O-N 3.1Å; D223-D228 PolarHBondContact N-O 3.15Å; D223-D228 VanDerWaalsContact N-O 3.15Å; D223-I230 HydrophobicContact CB-CD1 4.1Å |
| 224 | S | 91.7 | Very high | 94 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -28.5 | -175.5 | 69.3 | 0 | 0 | 0 | 0 | 112.9 | P163 F167 L207 T208 | P163-S224 WeakPolarHBondContact CG-OG 3.13Å; F167-S224 VanDerWaalsContact CE2-O 3.26Å; F167-S224 WeakPolarHBondContact CE2-O 3.41Å; F167-S224 WeakPolarHBondContact CZ-O 3.36Å; L207-S224 VanDerWaalsContact O-CB 3.24Å; L207-S224 WeakPolarHBondContact O-CB 3.37Å; L207-S224 PolarHBondContact O-OG 3.29Å; T208-S224 PolarHBondContact O-N 3.21Å; T208-S224 PolarHBondContact O-OG 2.79Å |
| 225 | T | 91 | Very high | 93.7 | Very high | 67 Ų | 67 | 41.4 Ų | 41.4 | 41% | 0.411 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -43.6 | -175.8 | 63.3 | 0 | 0 | 0 | 0 | 112.4 | K189 D223 | K189-T225 PolarHBondContact NZ-O 3.28Å; D223-T225 VanDerWaalsContact C-N 3.26Å; D223-T225 PolarHBondContact O-N 2.86Å; D223-T225 PolarHBondContact OD1-N 2.74Å; D223-T225 PolarHBondContact OD1-OG1 3.21Å; D223-T225 PolarHBondContact OD2-OG1 2.86Å |
| 226 | T | 91 | Very high | 93.4 | Very high | 42 Ų | 42 | 44.5 Ų | 44.5 | 26% | 0.258 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -28.9 | -178.9 | 57.7 | 0 | 0 | 0 | 0 | 112.5 | K189 D223 D228 | K189-T226 WeakPolarHBondContact CD-O 3.22Å; K189-T226 VanDerWaalsContact NZ-CA 3.26Å; K189-T226 PolarHBondContact NZ-O 2.95Å; K189-T226 VanDerWaalsContact NZ-O 3.08Å; D223-T226 VanDerWaalsContact CB-OG1 3.25Å; D223-T226 WeakPolarHBondContact CB-OG1 3.43Å; D223-T226 WeakPolarHBondContact OD2-CB 3.45Å; D223-T226 VanDerWaalsContact OD2-CG2 3.28Å; D223-T226 WeakPolarHBondContact OD2-CG2 3.3Å; D223-T226 PolarHBondContact OD2-OG1 3.4Å; T226-D228 WeakPolarHBondContact CB-OD2 3.36Å; T226-D228 WeakPolarHBondContact OG1-CB 3.18Å; T226-D228 PolarHBondContact OG1-N 3.06Å; T226-D228 PolarHBondContact OG1-OD2 3.09Å |
| 227 | L | 91.8 | Very high | 93.2 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | trans | 58.9 | 22.5 | -160.7 | -69.4 | -172.3 | 0 | 0 | 0 | 113.4 | I169 I177 Q179 K189 V191 D223 | I169-L227 HydrophobicContact CD1-CD2 4.16Å; I169-L227 HydrophobicContact CG2-CD2 4.28Å; I177-L227 HydrophobicContact CG2-CD1 4.29Å; I177-L227 HydrophobicContact CG2-CD2 4.13Å; Q179-L227 HydrophobicContact CB-CD1 3.84Å; K189-L227 HydrophobicContact CB-CD1 3.97Å; V191-L227 HydrophobicContact CG2-CB 4.02Å; D223-L227 WeakPolarHBondContact O-CA 3.29Å; D223-L227 PolarHBondContact O-N 3.1Å | ||
| 228 | D | 93.4 | Very high | 93.2 | Very high | 102 Ų | 102 | 47.5 Ų | 47.5 | 55% | 0.545 | 24% | 0.235 | S | C | . | . | trans | -74.1 | 136.5 | 175.6 | -69.2 | -20.9 | 0 | 0 | 0 | 110.4 | F222 D223 T226 I230 | F222-D228 VanDerWaalsContact CA-O 3.27Å; F222-D228 WeakPolarHBondContact CA-O 3.46Å; D223-D228 PolarHBondContact N-O 3.15Å; D223-D228 VanDerWaalsContact N-O 3.15Å; T226-D228 WeakPolarHBondContact CB-OD2 3.36Å; T226-D228 WeakPolarHBondContact OG1-CB 3.18Å; T226-D228 PolarHBondContact OG1-N 3.06Å; T226-D228 PolarHBondContact OG1-OD2 3.09Å; D228-I230 PolarHBondContact O-N 3.43Å | ||
| 229 | H | 94.5 | Very high | 93.2 | Very high | 75 Ų | 75 | 47.1 Ų | 47.1 | 35% | 0.347 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 121.8 | 175 | 175.4 | -101.9 | 0 | 0 | 0 | 110.1 | F222 K231 S232 | F222-H229 HydrophobicContact CD1-CB 4.15Å; F222-H229 HydrophobicContact CE1-CB 3.84Å; F222-H229 AromaticContact CE1-CD2 3.96Å; H229-K231 PolarHBondContact NE2-O 3.19Å; H229-S232 PolarHBondContact CE1-OG 3.21Å; H229-S232 PolarHBondContact NE2-OG 3.19Å |
| 230 | I | 94.1 | Very high | 93.1 | Very high | 67 Ų | 67 | 48.4 Ų | 48.4 | 34% | 0.344 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | -54.4 | 179.9 | -49.5 | 173.9 | 0 | 0 | 0 | 110.2 | M209 L221 D223 D228 | M209-I230 HydrophobicContact CG-CD1 4.47Å; M209-I230 HydrophobicContact SD-CD1 4.49Å; L221-I230 HydrophobicContact CG-CD1 4.42Å; L221-I230 PolarHBondContact O-N 2.7Å; D223-I230 HydrophobicContact CB-CD1 4.1Å; D228-I230 PolarHBondContact O-N 3.43Å |
| 231 | K | 94.6 | Very high | 93.1 | Very high | 64 Ų | 64 | 47.2 Ų | 47.2 | 28% | 0.278 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 149.1 | -171.5 | -64.5 | -69 | 171.7 | 169.3 | 0 | 113 | K220 L221 H229 F233 A279 A280 E282 | K220-K231 WeakPolarHBondContact CA-O 3.37Å; L221-K231 HydrophobicContact CB-CB 4.11Å; L221-K231 PolarHBondContact N-O 3.42Å; L221-K231 PolarHBondContact O-N 2.81Å; H229-K231 PolarHBondContact NE2-O 3.19Å; K231-F233 HydrophobicContact CB-CE1 4.44Å; K231-F233 HydrophobicContact CB-CE2 4.21Å; K231-F233 HydrophobicContact CB-CZ 3.84Å; K231-A279 WeakPolarHBondContact CG-O 3.33Å; K231-A280 WeakPolarHBondContact CE-O 3.35Å; K231-A280 PolarHBondContact NZ-O 3.49Å; K231-E282 VanDerWaalsContact CA-OE1 3.3Å; K231-E282 WeakPolarHBondContact CA-OE1 3.32Å; K231-E282 HydrophobicContact CB-CG 4.36Å; K231-E282 WeakPolarHBondContact CB-OE1 3.26Å; K231-E282 HydrophobicContact CD-CG 3.83Å; K231-E282 WeakPolarHBondContact CD-OE1 3.48Å |
| 232 | S | 94.4 | Very high | 93.1 | Very high | 24 Ų | 24 | 46.9 Ų | 46.9 | 17% | 0.168 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 115.1 | 179.1 | -78.3 | 0 | 0 | 0 | 0 | 111.1 | K220 H229 E282 | K220-S232 WeakPolarHBondContact CE-OG 3.4Å; H229-S232 PolarHBondContact CE1-OG 3.21Å; H229-S232 PolarHBondContact NE2-OG 3.19Å; S232-E282 PolarHBondContact N-OE1 2.69Å |
| 233 | F | 95 | Very high | 93.1 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 117.8 | 174.4 | -46.2 | -75.7 | 0 | 0 | 0 | 109.4 | S218 S219 L221 K231 V251 M253 F277 E282 | S218-F233 WeakPolarHBondContact CA-O 3.33Å; S219-F233 PolarHBondContact N-O 3.23Å; S219-F233 PolarHBondContact O-N 2.84Å; L221-F233 HydrophobicContact CB-CE2 4.2Å; K231-F233 HydrophobicContact CB-CE1 4.44Å; K231-F233 HydrophobicContact CB-CE2 4.21Å; K231-F233 HydrophobicContact CB-CZ 3.84Å; F233-V251 HydrophobicContact CD1-CG2 4.26Å; F233-V251 HydrophobicContact CD2-CG2 3.92Å; F233-V251 HydrophobicContact CE1-CG2 4.14Å; F233-V251 HydrophobicContact CE2-CG1 4.22Å; F233-V251 HydrophobicContact CE2-CG2 3.79Å; F233-V251 HydrophobicContact CG-CG2 4.16Å; F233-V251 HydrophobicContact CZ-CG1 4.31Å; F233-V251 HydrophobicContact CZ-CG2 3.91Å; F233-M253 HydrophobicContact CB-CE 3.48Å; F233-M253 VanDerWaalsContact CB-CE 3.48Å; F233-M253 HydrophobicContact CB-SD 3.95Å; F233-M253 HydrophobicContact CG-CE 4.24Å; F233-F277 HydrophobicContact CB-CD1 4.29Å; F233-F277 HydrophobicContact CB-CG 4.47Å; F233-F277 HydrophobicContact CD1-CB 3.81Å; F233-F277 HydrophobicContact CD1-CD1 4.09Å; F233-F277 HydrophobicContact CD1-CG 4.22Å; F233-F277 HydrophobicContact CE1-CB 4.28Å; F233-F277 HydrophobicContact CG-CB 4.43Å; F233-E282 HydrophobicContact CD1-CB 4.16Å; F233-E282 HydrophobicContact CD1-CG 4.35Å; F233-E282 HydrophobicContact CE1-CB 4.28Å; F233-E282 HydrophobicContact CE1-CG 4.12Å |
| 234 | K | 93.1 | Very high | 93.1 | Very high | 167 Ų | 167 | 46.3 Ų | 46.3 | 73% | 0.726 | 23% | 0.229 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 134 | 179.5 | -69.1 | -178.7 | -178.5 | 172.9 | 0 | 110.6 | ||
| 235 | T | 89.9 | Confident | 93.2 | Very high | 21 Ų | 21 | 46.7 Ų | 46.7 | 13% | 0.129 | 23% | 0.232 | C | C | . | . | trans | -118.5 | 162.1 | 175.8 | 54.7 | 0 | 0 | 0 | 0 | 110.2 | C217 R237 V239 M253 F277 | C217-T235 VanDerWaalsContact CB-O 3.3Å; C217-T235 WeakPolarHBondContact CB-O 3.49Å; C217-T235 PolarHBondContact O-N 3.27Å; C217-T235 PolarHBondContact O-OG1 3.09Å; T235-R237 VanDerWaalsContact C-N 3.31Å; T235-R237 PolarHBondContact OG1-O 3.41Å; T235-V239 HydrophobicContact CG2-CG2 4.16Å; T235-V239 VanDerWaalsContact OG1-CG2 3.23Å; T235-V239 WeakPolarHBondContact OG1-CG2 3.31Å; T235-M253 HydrophobicContact CG2-CE 3.91Å; T235-M253 HydrophobicContact CG2-SD 4.1Å; T235-F277 HydrophobicContact CG2-CE2 4.19Å; T235-F277 HydrophobicContact CG2-CZ 4.13Å | ||
| 236 | E | 86.9 | Confident | 93.2 | Very high | 149 Ų | 149 | 45.6 Ų | 45.6 | 70% | 0.696 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -78.1 | -23.9 | 175.6 | -61.3 | 167.6 | 146.6 | 0 | 0 | 111.8 | R275 | E236-R275 IonicContact OE2-CZ 3.4Å; E236-R275 IonicContact OE2-NH1 3.21Å; E236-R275 IonicContact OE2-NH2 2.85Å; E236-R275 PolarHBondContact OE2-NH2 3.47Å |
| 237 | R | 89 | Confident | 93.1 | Very high | 104 Ų | 104 | 48.2 Ų | 48.2 | 39% | 0.392 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -116.6 | 155.1 | -177.1 | -65.1 | -174 | 179.3 | -169.1 | -2.3 | 110.7 | T235 | T235-R237 VanDerWaalsContact C-N 3.31Å; T235-R237 PolarHBondContact OG1-O 3.41Å |
| 238 | P | 92.1 | Very high | 92.9 | Very high | 25 Ų | 25 | 50.4 Ų | 50.4 | 16% | 0.162 | 25% | 0.248 | C | C | . | . | trans | -54.8 | 141.4 | 174.4 | -26.6 | 35.9 | 0 | 0 | 0 | 112.2 | C217 G255 G256 | C217-P238 VanDerWaalsContact SG-N 3.4Å; P238-G255 WeakPolarHBondContact O-CA 3.44Å; P238-G256 PolarHBondContact O-N 2.69Å; P238-G256 VanDerWaalsContact O-N 3.17Å | ||
| 239 | V | 94.2 | Very high | 92.6 | Very high | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.018 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 126 | 177.3 | -167.5 | 0 | 0 | 0 | 0 | 108.4 | N199 A213 S214 T235 S241 M253 | N199-V239 PolarHBondContact ND2-O 2.93Å; A213-V239 HydrophobicContact CB-CB 4.26Å; A213-V239 HydrophobicContact CB-CG1 3.73Å; S214-V239 CarbonylContact C-O 3.58Å; S214-V239 PolarHBondContact O-N 3.37Å; S214-V239 VanDerWaalsContact O-N 3.17Å; T235-V239 HydrophobicContact CG2-CG2 4.16Å; T235-V239 VanDerWaalsContact OG1-CG2 3.23Å; T235-V239 WeakPolarHBondContact OG1-CG2 3.31Å; V239-S241 WeakPolarHBondContact CG1-O 3.35Å; V239-M253 HydrophobicContact CG1-CB 4.06Å; V239-M253 HydrophobicContact CG1-CG 4.25Å; V239-M253 HydrophobicContact CG1-SD 4.37Å; V239-M253 HydrophobicContact CG2-SD 4.28Å |
| 240 | N | 94.7 | Very high | 92.5 | Very high | 28 Ų | 28 | 48 Ų | 48 | 15% | 0.15 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | -35.9 | 178.3 | -68.6 | -24.4 | 0 | 0 | 0 | 111.3 | N199 D200 G254 I295 | N199-N240 WeakPolarHBondContact CB-O 3.12Å; D200-N240 WeakPolarHBondContact CB-O 3.31Å; N240-G254 PolarHBondContact N-O 2.85Å; N240-I295 VanDerWaalsContact CB-O 3.3Å; N240-I295 WeakPolarHBondContact CB-O 3.41Å; N240-I295 PolarHBondContact ND2-O 2.73Å |
| 241 | S | 95.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.007 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 148.8 | -179.6 | 176.1 | 0 | 0 | 0 | 0 | 110.8 | D200 Q202 V239 G254 N296 C297 V298 | D200-S241 WeakPolarHBondContact OD2-CB 3.01Å; D200-S241 PolarHBondContact OD2-OG 3.36Å; Q202-S241 PolarHBondContact NE2-OG 2.85Å; V239-S241 WeakPolarHBondContact CG1-O 3.35Å; S241-G254 PolarHBondContact N-O 3.2Å; S241-G254 PolarHBondContact O-N 3Å; S241-G254 VanDerWaalsContact O-O 3.08Å; S241-N296 WeakPolarHBondContact CB-O 3.09Å; S241-C297 VanDerWaalsContact CB-CA 3.49Å; S241-V298 WeakPolarHBondContact OG-CG2 3.34Å; S241-V298 PolarHBondContact OG-N 3.4Å |
| 242 | A | 96.6 | Very high | 92.5 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 143.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q202 I211 A213 S219 V252 M253 | Q202-A242 VanDerWaalsContact CD-O 3.27Å; Q202-A242 WeakPolarHBondContact CG-O 3.48Å; Q202-A242 PolarHBondContact NE2-O 2.9Å; I211-A242 HydrophobicContact CD1-CB 3.78Å; I211-A242 HydrophobicContact CG1-CB 3.88Å; I211-A242 HydrophobicContact CG2-CB 4.3Å; I211-A242 WeakPolarHBondContact CG2-O 3.45Å; A213-A242 HydrophobicContact CB-CB 3.93Å; S219-A242 WeakPolarHBondContact OG-CB 3.39Å; A242-V252 VanDerWaalsContact CA-O 3.3Å; A242-V252 WeakPolarHBondContact CA-O 3.3Å; A242-M253 HydrophobicContact CB-CG 3.96Å |
| 243 | A | 96.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 150.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q202 V251 V252 V298 F300 | Q202-A243 VanDerWaalsContact OE1-CB 3.26Å; A243-V251 WeakPolarHBondContact O-CA 3.08Å; A243-V252 HydrophobicContact CB-CG1 3.94Å; A243-V252 PolarHBondContact N-O 2.92Å; A243-V252 PolarHBondContact O-N 2.95Å; A243-V298 HydrophobicContact CB-CG2 4.16Å; A243-F300 HydrophobicContact CB-CD2 3.62Å; A243-F300 HydrophobicContact CB-CE2 4.1Å; A243-F300 WeakPolarHBondContact O-CE2 3.46Å |
| 244 | I | 95.4 | Very high | 92.5 | Very high | 29 Ų | 29 | 40.9 Ų | 40.9 | 15% | 0.149 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 133.7 | 179 | -55.4 | 167.6 | 0 | 0 | 0 | 108.4 | M209 I211 L221 V251 F300 | M209-I244 HydrophobicContact CB-CD1 4.1Å; I211-I244 HydrophobicContact CB-CD1 3.94Å; I211-I244 HydrophobicContact CB-CG1 3.75Å; I211-I244 HydrophobicContact CD1-CG1 4.28Å; I211-I244 HydrophobicContact CG2-CD1 4.09Å; I211-I244 HydrophobicContact CG2-CG1 3.68Å; L221-I244 HydrophobicContact CD1-CD1 3.59Å; L221-I244 HydrophobicContact CD1-CG1 4.13Å; I244-V251 HydrophobicContact CG1-CG1 4.39Å; I244-F300 WeakPolarHBondContact O-CD2 3.34Å |
| 245 | S | 93.4 | Very high | 92.3 | Very high | 9 Ų | 9 | 33.6 Ų | 33.6 | 6% | 0.063 | 17% | 0.174 | C | C | . | . | trans | -71.4 | 134 | 176 | -172.6 | 0 | 0 | 0 | 0 | 111 | M248 H250 | S245-M248 WeakPolarHBondContact CB-O 3.37Å; S245-H250 WeakPolarHBondContact CB-CD2 3.41Å; S245-H250 WeakPolarHBondContact CB-NE2 3.16Å; S245-H250 WeakPolarHBondContact CB-O 3.21Å; S245-H250 PolarHBondContact N-O 2.86Å; S245-H250 PolarHBondContact OG-CE1 3.38Å; S245-H250 VanDerWaalsContact OG-CE1 3.3Å; S245-H250 PolarHBondContact OG-NE2 2.88Å | ||
| 246 | P | 90.8 | Very high | 92 | Very high | 44 Ų | 44 | 32.9 Ų | 32.9 | 29% | 0.286 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -70.6 | -33 | -179.1 | -25.5 | 36 | 0 | 0 | 0 | 115.7 | V205 F300 H301 P302 | V205-P246 HydrophobicContact CG2-CB 3.73Å; V205-P246 HydrophobicContact CG2-CG 3.67Å; P246-F300 HydrophobicContact CG-CB 4.29Å; P246-H301 WeakPolarHBondContact CG-O 3.34Å; P246-P302 WeakPolarHBondContact CB-O 3.48Å; P246-P302 WeakPolarHBondContact CG-O 3.14Å |
| 247 | I | 88.9 | Confident | 91.5 | Very high | 96 Ų | 96 | 29.9 Ų | 29.9 | 49% | 0.492 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -100.7 | -40.8 | -171.9 | -67.7 | -171.1 | 0 | 0 | 0 | 111.8 | D303 | I247-D303 WeakPolarHBondContact CD1-O 3.22Å; I247-D303 WeakPolarHBondContact CG1-O 3.22Å |
| 248 | M | 86.6 | Confident | 90.2 | Very high | 49 Ų | 49 | 30.2 Ų | 30.2 | 24% | 0.241 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -111.9 | 153.7 | -168.1 | -66.6 | -69.9 | -71.9 | 0 | 0 | 110 | S245 H250 F326 | S245-M248 WeakPolarHBondContact CB-O 3.37Å; M248-H250 WeakPolarHBondContact CB-CE1 3.45Å; M248-H250 WeakPolarHBondContact CB-ND1 3.35Å; M248-H250 PolarHBondContact O-N 3.4Å; M248-F326 HydrophobicContact CG-CD1 4.31Å |
| 249 | D | 88.8 | Confident | 88.3 | Confident | 119 Ų | 119 | 32.3 Ų | 32.3 | 64% | 0.636 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -78.6 | 58.8 | -179.6 | -71.2 | -22.8 | 0 | 0 | 0 | 112.8 | A279 | D249-A279 WeakPolarHBondContact O-CB 3.49Å; D249-A279 PolarHBondContact O-N 2.82Å |
| 250 | H | 91.5 | Very high | 86.2 | Confident | 6 Ų | 6 | 40.5 Ų | 40.5 | 3% | 0.028 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 162.6 | 174.8 | 63.1 | -103 | 0 | 0 | 0 | 113.3 | S245 M248 F276 F277 F285 F300 Y325 | S245-H250 WeakPolarHBondContact CB-CD2 3.41Å; S245-H250 WeakPolarHBondContact CB-NE2 3.16Å; S245-H250 WeakPolarHBondContact CB-O 3.21Å; S245-H250 PolarHBondContact N-O 2.86Å; S245-H250 PolarHBondContact OG-CE1 3.38Å; S245-H250 VanDerWaalsContact OG-CE1 3.3Å; S245-H250 PolarHBondContact OG-NE2 2.88Å; M248-H250 WeakPolarHBondContact CB-CE1 3.45Å; M248-H250 WeakPolarHBondContact CB-ND1 3.35Å; M248-H250 PolarHBondContact O-N 3.4Å; H250-F276 AromaticContact CD2-CD1 3.94Å; H250-F277 CarbonylContact C-O 3.55Å; H250-F277 WeakPolarHBondContact CA-O 3.37Å; H250-F277 WeakPolarHBondContact CB-O 3.49Å; H250-F285 HydrophobicContact CB-CE1 3.59Å; H250-F285 HydrophobicContact CB-CZ 3.82Å; H250-F285 AromaticContact CG-CZ 3.9Å; H250-F300 AromaticContact CD2-CZ 3.91Å; H250-F300 AromaticContact NE2-CE1 3.99Å; H250-F300 AromaticContact NE2-CZ 3.82Å; H250-Y325 PolarHBondContact CD2-OH 3.26Å; H250-Y325 AromaticContact CE1-CE1 3.58Å; H250-Y325 AromaticContact CE1-CZ 3.47Å; H250-Y325 VanDerWaalsContact CE1-CZ 3.47Å; H250-Y325 PolarHBondContact CE1-OH 3.29Å; H250-Y325 PolarHBondContact ND1-OH 3.42Å; H250-Y325 AromaticContact NE2-CZ 3.78Å; H250-Y325 PolarHBondContact NE2-OH 3.44Å |
| 251 | V | 94.6 | Very high | 84 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 145.5 | 175.2 | -57.3 | 0 | 0 | 0 | 0 | 109.3 | I211 F233 A243 I244 F276 F277 A279 | I211-V251 HydrophobicContact CD1-CB 3.71Å; I211-V251 HydrophobicContact CD1-CG1 3.69Å; I211-V251 HydrophobicContact CD1-CG2 4.23Å; F233-V251 HydrophobicContact CD1-CG2 4.26Å; F233-V251 HydrophobicContact CD2-CG2 3.92Å; F233-V251 HydrophobicContact CE1-CG2 4.14Å; F233-V251 HydrophobicContact CE2-CG1 4.22Å; F233-V251 HydrophobicContact CE2-CG2 3.79Å; F233-V251 HydrophobicContact CG-CG2 4.16Å; F233-V251 HydrophobicContact CZ-CG1 4.31Å; F233-V251 HydrophobicContact CZ-CG2 3.91Å; A243-V251 WeakPolarHBondContact O-CA 3.08Å; I244-V251 HydrophobicContact CG1-CG1 4.39Å; V251-F276 WeakPolarHBondContact O-CA 3.32Å; V251-F277 HydrophobicContact CG2-CB 3.82Å; V251-F277 PolarHBondContact N-O 2.92Å; V251-F277 PolarHBondContact O-N 2.74Å; V251-A279 HydrophobicContact CG1-CB 4.42Å |
| 252 | V | 95.3 | Very high | 81.7 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 136.3 | 171.3 | 72.2 | 0 | 0 | 0 | 0 | 109.1 | A242 A243 A274 R275 F276 V298 F300 Y307 | A242-V252 VanDerWaalsContact CA-O 3.3Å; A242-V252 WeakPolarHBondContact CA-O 3.3Å; A243-V252 HydrophobicContact CB-CG1 3.94Å; A243-V252 PolarHBondContact N-O 2.92Å; A243-V252 PolarHBondContact O-N 2.95Å; V252-A274 HydrophobicContact CG2-CB 4.07Å; V252-R275 WeakPolarHBondContact CA-O 3.12Å; V252-F276 HydrophobicContact CB-CD1 4.27Å; V252-F276 HydrophobicContact CB-CE1 3.95Å; V252-F276 HydrophobicContact CB-CZ 4.18Å; V252-F276 HydrophobicContact CG2-CD1 4.29Å; V252-F276 HydrophobicContact CG2-CD2 4.25Å; V252-F276 HydrophobicContact CG2-CE1 3.85Å; V252-F276 HydrophobicContact CG2-CE2 3.78Å; V252-F276 HydrophobicContact CG2-CG 4.48Å; V252-F276 HydrophobicContact CG2-CZ 3.57Å; V252-V298 HydrophobicContact CG1-CB 4.17Å; V252-V298 HydrophobicContact CG1-CG2 4.03Å; V252-F300 HydrophobicContact CB-CE2 3.78Å; V252-F300 HydrophobicContact CB-CZ 3.69Å; V252-F300 HydrophobicContact CG1-CD2 3.91Å; V252-F300 HydrophobicContact CG1-CE1 4.47Å; V252-F300 HydrophobicContact CG1-CE2 3.22Å; V252-F300 HydrophobicContact CG1-CZ 3.55Å; V252-Y307 HydrophobicContact CG2-CE2 4.41Å |
| 253 | M | 94.6 | Very high | 79.3 | Confident | 4 Ų | 4 | 55.8 Ų | 55.8 | 2% | 0.02 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 129.8 | 176.2 | -69.5 | -175.9 | -80.8 | 0 | 0 | 110.3 | S219 F233 T235 V239 A242 A274 R275 F277 | S219-M253 WeakPolarHBondContact CB-SD 3.5Å; F233-M253 HydrophobicContact CB-CE 3.48Å; F233-M253 VanDerWaalsContact CB-CE 3.48Å; F233-M253 HydrophobicContact CB-SD 3.95Å; F233-M253 HydrophobicContact CG-CE 4.24Å; T235-M253 HydrophobicContact CG2-CE 3.91Å; T235-M253 HydrophobicContact CG2-SD 4.1Å; V239-M253 HydrophobicContact CG1-CB 4.06Å; V239-M253 HydrophobicContact CG1-CG 4.25Å; V239-M253 HydrophobicContact CG1-SD 4.37Å; V239-M253 HydrophobicContact CG2-SD 4.28Å; A242-M253 HydrophobicContact CB-CG 3.96Å; M253-A274 WeakPolarHBondContact O-CA 3.26Å; M253-R275 PolarHBondContact N-O 2.8Å; M253-R275 PolarHBondContact O-N 2.84Å; M253-F277 HydrophobicContact CE-CB 4.23Å; M253-F277 HydrophobicContact CE-CD1 4.18Å; M253-F277 HydrophobicContact CE-CD2 2.96Å; M253-F277 HydrophobicContact CE-CE1 4.28Å; M253-F277 HydrophobicContact CE-CE2 3.09Å; M253-F277 HydrophobicContact CE-CG 3.55Å; M253-F277 HydrophobicContact CE-CZ 3.79Å |
| 254 | G | 93.2 | Very high | 76.7 | Confident | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.01 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 135.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | N240 S241 | N240-G254 PolarHBondContact N-O 2.85Å; S241-G254 PolarHBondContact N-O 3.2Å; S241-G254 PolarHBondContact O-N 3Å; S241-G254 VanDerWaalsContact O-O 3.08Å |
| 255 | G | 89.4 | Confident | 74.1 | Confident | 14 Ų | 14 | 66 Ų | 66 | 14% | 0.144 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.3 | -164.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | P238 I295 | P238-G255 WeakPolarHBondContact O-CA 3.44Å; G255-I295 PolarHBondContact O-N 2.94Å |
| 256 | G | 83.8 | Confident | 71.6 | Confident | 6 Ų | 6 | 70.6 Ų | 70.6 | 6% | 0.062 | 40% | 0.403 | C | S | . | . | trans | 150.6 | 157.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | P238 | P238-G256 PolarHBondContact O-N 2.69Å; P238-G256 VanDerWaalsContact O-N 3.17Å | ||
| 257 | Q | 76.3 | Confident | 69.2 | Low | 86 Ų | 86 | 74.1 Ų | 74.1 | 40% | 0.402 | 42% | 0.424 | S | S | . | . | trans | -98.7 | 137.2 | 172.3 | -165.3 | 162.1 | 6.8 | 0 | 0 | 108.4 | E261 | Q257-E261 WeakPolarHBondContact CG-OE2 3.11Å; Q257-E261 PolarHBondContact NE2-OE2 3.39Å | ||
| 258 | E | 61.3 | Low | 67 | Low | 111 Ų | 111 | 80.8 Ų | 80.8 | 52% | 0.519 | 44% | 0.443 | S | S | . | . | trans | -57.9 | 138.1 | -178.2 | -70.9 | -176.5 | 178.1 | 0 | 0 | 110.7 | M260 E261 | E258-M260 PolarHBondContact O-N 3.1Å; E258-M260 VanDerWaalsContact O-N 3.09Å; E258-E261 PolarHBondContact O-N 2.86Å | ||
| 259 | A | 53.1 | Low | 65.3 | Low | 70 Ų | 70 | 83 Ų | 83 | 58% | 0.579 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -61.8 | -20 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | E261 V262 | A259-E261 VanDerWaalsContact C-N 3.26Å; A259-E261 PolarHBondContact O-N 3.42Å; A259-V262 CarbonylContact O-C 3.58Å; A259-V262 PolarHBondContact O-N 3.43Å; A259-V262 VanDerWaalsContact O-N 3.09Å |
| 260 | M | 49.5 | Very low | 63.7 | Low | 175 Ų | 175 | 78.4 Ų | 78.4 | 86% | 0.862 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -66.4 | -25.6 | 178.9 | -160.8 | 168.7 | -175.1 | 0 | 0 | 113 | E258 | E258-M260 PolarHBondContact O-N 3.1Å; E258-M260 VanDerWaalsContact O-N 3.09Å |
| 261 | E | 49.3 | Very low | 62.8 | Low | 137 Ų | 137 | 84.4 Ų | 84.4 | 64% | 0.64 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -85.3 | -11.6 | 174 | -68.2 | -174.1 | 153.9 | 0 | 0 | 113 | Q257 E258 A259 | Q257-E261 WeakPolarHBondContact CG-OE2 3.11Å; Q257-E261 PolarHBondContact NE2-OE2 3.39Å; E258-E261 PolarHBondContact O-N 2.86Å; A259-E261 VanDerWaalsContact C-N 3.26Å; A259-E261 PolarHBondContact O-N 3.42Å |
| 262 | V | 47.1 | Very low | 62.4 | Low | 90 Ų | 90 | 85.7 Ų | 85.7 | 55% | 0.545 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -112.9 | 76.7 | -176.9 | -166.9 | 0 | 0 | 0 | 0 | 109 | A259 T264 | A259-V262 CarbonylContact O-C 3.58Å; A259-V262 PolarHBondContact O-N 3.43Å; A259-V262 VanDerWaalsContact O-N 3.09Å; V262-T264 PolarHBondContact O-N 3.3Å |
| 263 | T | 45.4 | Very low | 62.1 | Low | 124 Ų | 124 | 87 Ų | 87 | 76% | 0.761 | 47% | 0.474 | S | S | * | . | trans | -63.4 | 99.5 | 167.8 | 41.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 264 | T | 43 | Very low | 62 | Low | 122 Ų | 122 | 86.9 Ų | 86.9 | 75% | 0.748 | 47% | 0.473 | S | S | * | . | trans | 164.3 | 142.2 | 135.7 | 39.1 | 0 | 0 | 0 | 0 | 113.3 | V262 | V262-T264 PolarHBondContact O-N 3.3Š| ||
| 265 | T | 39.5 | Very low | 62 | Low | 123 Ų | 123 | 87.8 Ų | 87.8 | 76% | 0.755 | 48% | 0.476 | S | S | * | . | trans | 73.3 | 89.1 | 162 | 18.5 | 0 | 0 | 0 | 0 | 118.9 | T267 | T265-T267 PolarHBondContact O-N 2.9Š| ||
| 266 | S | 42.7 | Very low | 62.2 | Low | 104 Ų | 104 | 87.1 Ų | 87.1 | 73% | 0.727 | 47% | 0.469 | S | S | * | . | trans | -8.3 | 104.1 | 131.2 | 52.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 267 | T | 38.4 | Very low | 62.6 | Low | 118 Ų | 118 | 87.3 Ų | 87.3 | 72% | 0.724 | 47% | 0.468 | S | S | * | . | 173.4 | 147.7 | 124.7 | 28.3 | 0 | 0 | 0 | 0 | 109.5 | T265 I269 | T265-T267 PolarHBondContact O-N 2.9Å; T267-I269 VanDerWaalsContact C-N 3.29Å; T267-I269 PolarHBondContact O-N 2.97Å | |||
| 268 | R | 44.4 | Very low | 63.4 | Low | 236 Ų | 236 | 85 Ų | 85 | 89% | 0.891 | 46% | 0.457 | S | S | * | . | trans | -47.5 | 77.5 | 175.3 | -65 | 167.9 | 172.8 | 175.6 | -4.2 | 113.6 | F292 | R268-F292 HydrophobicContact CB-CE1 4.47Š| ||
| 269 | I | 50.9 | Low | 64.7 | Low | 95 Ų | 95 | 80.6 Ų | 80.6 | 49% | 0.487 | 44% | 0.44 | S | S | . | . | trans | -118.5 | 105.6 | 171.4 | -50.2 | 171.3 | 0 | 0 | 0 | 106.5 | T267 K271 | T267-I269 VanDerWaalsContact C-N 3.29Å; T267-I269 PolarHBondContact O-N 2.97Å; I269-K271 HydrophobicContact CB-CG 4.06Å; I269-K271 HydrophobicContact CG2-CD 4.2Å; I269-K271 HydrophobicContact CG2-CG 3.51Å; I269-K271 PolarHBondContact O-N 3Å | ||
| 270 | G | 55.2 | Low | 66.3 | Low | 23 Ų | 23 | 79.4 Ų | 79.4 | 24% | 0.237 | 43% | 0.43 | C | S | . | . | trans | -63.5 | 84.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | H291 | G270-H291 CarbonylContact C-O 3.55Å; G270-H291 WeakPolarHBondContact CA-O 3.42Å | ||
| 271 | K | 72.8 | Confident | 68.1 | Low | 132 Ų | 132 | 77.6 Ų | 77.6 | 57% | 0.574 | 42% | 0.415 | S | S | * | . | trans | -97.5 | -2.9 | -179.8 | -68.8 | -171 | -179.5 | 175.5 | 0 | 112.8 | I269 | I269-K271 HydrophobicContact CB-CG 4.06Å; I269-K271 HydrophobicContact CG2-CD 4.2Å; I269-K271 HydrophobicContact CG2-CG 3.51Å; I269-K271 PolarHBondContact O-N 3Å | ||
| 272 | F | 85.8 | Confident | 70 | Confident | 28 Ų | 28 | 74.7 Ų | 74.7 | 12% | 0.123 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 134 | 176.8 | -63.5 | -87.4 | 0 | 0 | 0 | 109.4 | H291 G293 P294 | F272-H291 HydrophobicContact CB-CB 4.04Å; F272-H291 PolarHBondContact N-O 2.87Å; F272-G293 WeakPolarHBondContact CB-O 3.18Å; F272-G293 VanDerWaalsContact CD2-CA 3.46Å; F272-G293 VanDerWaalsContact CD2-O 3.26Å; F272-G293 WeakPolarHBondContact CD2-O 3.28Å; F272-G293 WeakPolarHBondContact CG-O 3.39Å; F272-P294 HydrophobicContact CD1-CB 4.42Å; F272-P294 HydrophobicContact CD1-CG 4.34Å; F272-P294 HydrophobicContact CE1-CB 4.27Å; F272-P294 HydrophobicContact CE1-CG 3.74Å; F272-P294 HydrophobicContact CZ-CG 3.91Å |
| 273 | E | 89.1 | Confident | 72 | Confident | 29 Ų | 29 | 76.4 Ų | 76.4 | 14% | 0.136 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 138.3 | -168.8 | 62.7 | -166.1 | -174.1 | 0 | 0 | 110.2 | R275 R287 V288 K289 | E273-R275 HydrophobicContact CG-CG 4.21Å; E273-R275 IonicContact OE1-CZ 3.5Å; E273-R275 IonicContact OE1-NE 4Å; E273-R275 PolarHBondContact OE1-NE 3.31Å; E273-R275 IonicContact OE1-NH2 3.45Å; E273-R275 PolarHBondContact OE1-NH2 2.88Å; E273-R287 WeakPolarHBondContact OE1-CD 3.39Å; E273-R287 IonicContact OE1-CZ 2.63Å; E273-R287 IonicContact OE1-NE 2.93Å; E273-R287 PolarHBondContact OE1-NE 2.81Å; E273-R287 IonicContact OE1-NH1 3.38Å; E273-R287 PolarHBondContact OE1-NH1 2.88Å; E273-R287 WeakPolarHBondContact OE2-CD 3.49Å; E273-V288 CarbonylContact C-O 3.53Å; E273-V288 WeakPolarHBondContact CA-O 3.19Å; E273-K289 HydrophobicContact CB-CG 4.04Å; E273-K289 WeakPolarHBondContact OE2-CE 3.43Å |
| 274 | A | 92.6 | Very high | 74.1 | Confident | 1 Ų | 1 | 73.8 Ų | 73.8 | 1% | 0.008 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 132.3 | 163.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | V252 M253 F276 R287 V288 I295 Y307 | V252-A274 HydrophobicContact CG2-CB 4.07Å; M253-A274 WeakPolarHBondContact O-CA 3.26Å; A274-F276 HydrophobicContact CB-CE2 4.4Å; A274-R287 WeakPolarHBondContact O-CA 3.44Å; A274-V288 HydrophobicContact CB-CB 4.45Å; A274-V288 PolarHBondContact N-O 3.05Å; A274-V288 PolarHBondContact O-N 3.39Å; A274-I295 HydrophobicContact CB-CD1 3.94Å; A274-Y307 HydrophobicContact CB-CE2 4.25Å |
| 275 | R | 92.8 | Very high | 76.3 | Confident | 19 Ų | 19 | 69.3 Ų | 69.3 | 7% | 0.072 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 135.2 | -178 | -58.5 | -175.1 | 174.2 | -170.3 | -4 | 109.9 | E236 V252 M253 E273 F277 R287 | E236-R275 IonicContact OE2-CZ 3.4Å; E236-R275 IonicContact OE2-NH1 3.21Å; E236-R275 IonicContact OE2-NH2 2.85Å; E236-R275 PolarHBondContact OE2-NH2 3.47Å; V252-R275 WeakPolarHBondContact CA-O 3.12Å; M253-R275 PolarHBondContact N-O 2.8Å; M253-R275 PolarHBondContact O-N 2.84Å; E273-R275 HydrophobicContact CG-CG 4.21Å; E273-R275 IonicContact OE1-CZ 3.5Å; E273-R275 IonicContact OE1-NE 4Å; E273-R275 PolarHBondContact OE1-NE 3.31Å; E273-R275 IonicContact OE1-NH2 3.45Å; E273-R275 PolarHBondContact OE1-NH2 2.88Å; R275-F277 HydrophobicContact CB-CD2 4.21Å; R275-F277 HydrophobicContact CB-CE2 3.7Å; R275-R287 HydrophobicContact CG-CG 4.45Å |
| 276 | F | 93.1 | Very high | 78.5 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 127.8 | -179.9 | -72.8 | -99.3 | 0 | 0 | 0 | 109.6 | H250 V251 V252 A274 E284 F285 G286 V288 F300 Y307 F321 | H250-F276 AromaticContact CD2-CD1 3.94Å; V251-F276 WeakPolarHBondContact O-CA 3.32Å; V252-F276 HydrophobicContact CB-CD1 4.27Å; V252-F276 HydrophobicContact CB-CE1 3.95Å; V252-F276 HydrophobicContact CB-CZ 4.18Å; V252-F276 HydrophobicContact CG2-CD1 4.29Å; V252-F276 HydrophobicContact CG2-CD2 4.25Å; V252-F276 HydrophobicContact CG2-CE1 3.85Å; V252-F276 HydrophobicContact CG2-CE2 3.78Å; V252-F276 HydrophobicContact CG2-CG 4.48Å; V252-F276 HydrophobicContact CG2-CZ 3.57Å; A274-F276 HydrophobicContact CB-CE2 4.4Å; F276-E284 WeakPolarHBondContact O-CA 3.4Å; F276-F285 HydrophobicContact CB-CD1 4.27Å; F276-F285 HydrophobicContact CB-CD2 4.43Å; F276-F285 HydrophobicContact CB-CE1 3.75Å; F276-F285 HydrophobicContact CB-CE2 3.92Å; F276-F285 HydrophobicContact CB-CZ 3.56Å; F276-F285 HydrophobicContact CD1-CZ 4.2Å; F276-F285 HydrophobicContact CG-CZ 4.28Å; F276-F285 PolarHBondContact O-N 3.26Å; F276-G286 PolarHBondContact N-O 2.97Å; F276-V288 HydrophobicContact CD2-CG2 4Å; F276-V288 HydrophobicContact CE2-CB 4.32Å; F276-V288 HydrophobicContact CE2-CG2 3.43Å; F276-V288 VanDerWaalsContact CE2-CG2 3.43Å; F276-V288 HydrophobicContact CZ-CG2 4.36Å; F276-F300 HydrophobicContact CE1-CZ 4.26Å; F276-Y307 HydrophobicContact CE2-CE1 4.23Å; F276-Y307 AromaticContact CZ-CD1 3.98Å; F276-Y307 HydrophobicContact CZ-CD1 3.98Å; F276-Y307 AromaticContact CZ-CE1 3.55Å; F276-Y307 HydrophobicContact CZ-CE1 3.55Å; F276-Y307 HydrophobicContact CZ-CE2 4.26Å; F276-Y307 HydrophobicContact CZ-CG 4.47Å; F276-Y307 AromaticContact CZ-CZ 3.72Å; F276-F321 HydrophobicContact CE1-CE1 4.07Å; F276-F321 AromaticContact CE1-CZ 3.99Å; F276-F321 HydrophobicContact CE1-CZ 3.99Å; F276-F321 HydrophobicContact CZ-CE1 4.19Å; F276-F321 HydrophobicContact CZ-CZ 4.26Å |
| 277 | F | 93.3 | Very high | 80.8 | Confident | 10 Ų | 10 | 63.2 Ų | 63.2 | 4% | 0.044 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 139.6 | -179.1 | -77.2 | -107.8 | 0 | 0 | 0 | 110.1 | F233 T235 H250 V251 M253 R275 A279 E282 E283 E284 | F233-F277 HydrophobicContact CB-CD1 4.29Å; F233-F277 HydrophobicContact CB-CG 4.47Å; F233-F277 HydrophobicContact CD1-CB 3.81Å; F233-F277 HydrophobicContact CD1-CD1 4.09Å; F233-F277 HydrophobicContact CD1-CG 4.22Å; F233-F277 HydrophobicContact CE1-CB 4.28Å; F233-F277 HydrophobicContact CG-CB 4.43Å; T235-F277 HydrophobicContact CG2-CE2 4.19Å; T235-F277 HydrophobicContact CG2-CZ 4.13Å; H250-F277 CarbonylContact C-O 3.55Å; H250-F277 WeakPolarHBondContact CA-O 3.37Å; H250-F277 WeakPolarHBondContact CB-O 3.49Å; V251-F277 HydrophobicContact CG2-CB 3.82Å; V251-F277 PolarHBondContact N-O 2.92Å; V251-F277 PolarHBondContact O-N 2.74Å; M253-F277 HydrophobicContact CE-CB 4.23Å; M253-F277 HydrophobicContact CE-CD1 4.18Å; M253-F277 HydrophobicContact CE-CD2 2.96Å; M253-F277 HydrophobicContact CE-CE1 4.28Å; M253-F277 HydrophobicContact CE-CE2 3.09Å; M253-F277 HydrophobicContact CE-CG 3.55Å; M253-F277 HydrophobicContact CE-CZ 3.79Å; R275-F277 HydrophobicContact CB-CD2 4.21Å; R275-F277 HydrophobicContact CB-CE2 3.7Å; F277-A279 PolarHBondContact O-N 2.78Å; F277-E282 WeakPolarHBondContact CD1-O 3.32Å; F277-E283 CarbonylContact C-O 3.55Å; F277-E283 VanDerWaalsContact CA-O 3.27Å; F277-E283 WeakPolarHBondContact CA-O 3.41Å; F277-E284 HydrophobicContact CD1-CB 4.08Å; F277-E284 HydrophobicContact CD2-CB 4.41Å; F277-E284 HydrophobicContact CD2-CG 4.18Å; F277-E284 HydrophobicContact CE1-CB 3.73Å; F277-E284 HydrophobicContact CE1-CG 4.33Å; F277-E284 HydrophobicContact CE2-CB 4.1Å; F277-E284 HydrophobicContact CE2-CG 3.78Å; F277-E284 HydrophobicContact CG-CB 4.42Å; F277-E284 HydrophobicContact CZ-CB 3.75Å; F277-E284 HydrophobicContact CZ-CG 3.88Å |
| 278 | H | 91.4 | Very high | 83.2 | Confident | 37 Ų | 37 | 58.3 Ų | 58.3 | 17% | 0.171 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 126.7 | 172.5 | -164 | -73.6 | 0 | 0 | 0 | 109.5 | A280 Y281 E282 E283 F285 L330 | H278-A280 VanDerWaalsContact C-N 3.33Å; H278-A280 PolarHBondContact ND1-N 3.07Å; H278-A280 VanDerWaalsContact ND1-N 3.17Å; H278-A280 PolarHBondContact O-N 2.93Å; H278-Y281 HydrophobicContact CB-CD2 4.24Å; H278-Y281 AromaticContact CE1-CD2 3.52Å; H278-Y281 AromaticContact CE1-CE2 3.57Å; H278-Y281 AromaticContact CG-CD2 3.58Å; H278-Y281 AromaticContact ND1-CD2 3.26Å; H278-Y281 VanDerWaalsContact ND1-CD2 3.26Å; H278-Y281 WeakPolarHBondContact ND1-CD2 3.4Å; H278-Y281 AromaticContact ND1-CE2 3.82Å; H278-Y281 AromaticContact NE2-CD2 3.95Å; H278-Y281 AromaticContact NE2-CE2 3.9Å; H278-E282 PolarHBondContact O-N 3.3Å; H278-E283 PolarHBondContact N-O 3.26Å; H278-F285 HydrophobicContact CB-CD1 4.43Å; H278-L330 HydrophobicContact CB-CD1 4.37Å |
| 279 | A | 88.4 | Confident | 85.3 | Confident | 19 Ų | 19 | 53.8 Ų | 53.8 | 16% | 0.157 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -39.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | K231 D249 V251 F277 | K231-A279 WeakPolarHBondContact CG-O 3.33Å; D249-A279 WeakPolarHBondContact O-CB 3.49Å; D249-A279 PolarHBondContact O-N 2.82Å; V251-A279 HydrophobicContact CG1-CB 4.42Å; F277-A279 PolarHBondContact O-N 2.78Å |
| 280 | A | 87.4 | Confident | 86.8 | Confident | 45 Ų | 45 | 50.4 Ų | 50.4 | 37% | 0.372 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -43 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | K231 H278 | K231-A280 WeakPolarHBondContact CE-O 3.35Å; K231-A280 PolarHBondContact NZ-O 3.49Å; H278-A280 VanDerWaalsContact C-N 3.33Å; H278-A280 PolarHBondContact ND1-N 3.07Å; H278-A280 VanDerWaalsContact ND1-N 3.17Å; H278-A280 PolarHBondContact O-N 2.93Å |
| 281 | Y | 87.4 | Confident | 88.4 | Confident | 138 Ų | 138 | 49.5 Ų | 49.5 | 54% | 0.541 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -12.4 | -170.2 | -57.4 | -66.2 | 0 | 0 | 0 | 114.3 | H278 E283 | H278-Y281 HydrophobicContact CB-CD2 4.24Å; H278-Y281 AromaticContact CE1-CD2 3.52Å; H278-Y281 AromaticContact CE1-CE2 3.57Å; H278-Y281 AromaticContact CG-CD2 3.58Å; H278-Y281 AromaticContact ND1-CD2 3.26Å; H278-Y281 VanDerWaalsContact ND1-CD2 3.26Å; H278-Y281 WeakPolarHBondContact ND1-CD2 3.4Å; H278-Y281 AromaticContact ND1-CE2 3.82Å; H278-Y281 AromaticContact NE2-CD2 3.95Å; H278-Y281 AromaticContact NE2-CE2 3.9Å; Y281-E283 PolarHBondContact O-N 2.79Å |
| 282 | E | 90.3 | Very high | 88.9 | Confident | 75 Ų | 75 | 48.4 Ų | 48.4 | 35% | 0.35 | 23% | 0.231 | S | C | . | . | trans | 62.6 | 17.6 | -176.2 | -48.4 | -178.7 | 160.3 | 0 | 0 | 113.9 | K231 S232 F233 F277 H278 | K231-E282 VanDerWaalsContact CA-OE1 3.3Å; K231-E282 WeakPolarHBondContact CA-OE1 3.32Å; K231-E282 HydrophobicContact CB-CG 4.36Å; K231-E282 WeakPolarHBondContact CB-OE1 3.26Å; K231-E282 HydrophobicContact CD-CG 3.83Å; K231-E282 WeakPolarHBondContact CD-OE1 3.48Å; S232-E282 PolarHBondContact N-OE1 2.69Å; F233-E282 HydrophobicContact CD1-CB 4.16Å; F233-E282 HydrophobicContact CD1-CG 4.35Å; F233-E282 HydrophobicContact CE1-CB 4.28Å; F233-E282 HydrophobicContact CE1-CG 4.12Å; F277-E282 WeakPolarHBondContact CD1-O 3.32Å; H278-E282 PolarHBondContact O-N 3.3Å | ||
| 283 | E | 89.1 | Confident | 89 | Confident | 126 Ų | 126 | 47.5 Ų | 47.5 | 59% | 0.589 | 23% | 0.229 | S | C | * | . | trans | -96.8 | 139.5 | -179.1 | -65.1 | -165.5 | 163.1 | 0 | 0 | 112.2 | F277 H278 Y281 | F277-E283 CarbonylContact C-O 3.55Å; F277-E283 VanDerWaalsContact CA-O 3.27Å; F277-E283 WeakPolarHBondContact CA-O 3.41Å; H278-E283 PolarHBondContact N-O 3.26Å; Y281-E283 PolarHBondContact O-N 2.79Å | ||
| 284 | E | 89.3 | Confident | 89.1 | Confident | 70 Ų | 70 | 46.2 Ų | 46.2 | 33% | 0.327 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 122.2 | 175.2 | -165.3 | -157.3 | 112.1 | 0 | 0 | 109.9 | F276 F277 R287 | F276-E284 WeakPolarHBondContact O-CA 3.4Å; F277-E284 HydrophobicContact CD1-CB 4.08Å; F277-E284 HydrophobicContact CD2-CB 4.41Å; F277-E284 HydrophobicContact CD2-CG 4.18Å; F277-E284 HydrophobicContact CE1-CB 3.73Å; F277-E284 HydrophobicContact CE1-CG 4.33Å; F277-E284 HydrophobicContact CE2-CB 4.1Å; F277-E284 HydrophobicContact CE2-CG 3.78Å; F277-E284 HydrophobicContact CG-CB 4.42Å; F277-E284 HydrophobicContact CZ-CB 3.75Å; F277-E284 HydrophobicContact CZ-CG 3.88Å; E284-R287 VanDerWaalsContact CD-NE 3.34Å; E284-R287 WeakPolarHBondContact OE1-CD 3.41Å; E284-R287 WeakPolarHBondContact OE1-CG 3.44Å; E284-R287 IonicContact OE1-CZ 3.19Å; E284-R287 IonicContact OE1-NE 3.77Å; E284-R287 PolarHBondContact OE1-NE 3.39Å; E284-R287 IonicContact OE1-NH2 3.36Å; E284-R287 PolarHBondContact OE1-NH2 3.01Å; E284-R287 IonicContact OE2-CZ 3.36Å; E284-R287 IonicContact OE2-NE 3.28Å; E284-R287 PolarHBondContact OE2-NE 2.89Å; E284-R287 IonicContact OE2-NH2 2.83Å; E284-R287 PolarHBondContact OE2-NH2 2.63Å |
| 285 | F | 88 | Confident | 89.1 | Confident | 28 Ų | 28 | 46.2 Ų | 46.2 | 12% | 0.123 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | -13.3 | -179.8 | 70.3 | -92.9 | 0 | 0 | 0 | 113.8 | H250 F276 H278 Y325 F328 L330 | H250-F285 HydrophobicContact CB-CE1 3.59Å; H250-F285 HydrophobicContact CB-CZ 3.82Å; H250-F285 AromaticContact CG-CZ 3.9Å; F276-F285 HydrophobicContact CB-CD1 4.27Å; F276-F285 HydrophobicContact CB-CD2 4.43Å; F276-F285 HydrophobicContact CB-CE1 3.75Å; F276-F285 HydrophobicContact CB-CE2 3.92Å; F276-F285 HydrophobicContact CB-CZ 3.56Å; F276-F285 HydrophobicContact CD1-CZ 4.2Å; F276-F285 HydrophobicContact CG-CZ 4.28Å; F276-F285 PolarHBondContact O-N 3.26Å; H278-F285 HydrophobicContact CB-CD1 4.43Å; F285-Y325 HydrophobicContact CE2-CE2 4.17Å; F285-F328 HydrophobicContact CB-CE1 4.41Å; F285-F328 HydrophobicContact CD2-CD1 4.49Å; F285-F328 AromaticContact CD2-CE1 3.94Å; F285-F328 HydrophobicContact CD2-CE1 3.94Å; F285-F328 HydrophobicContact CG-CE1 4.34Å; F285-L330 HydrophobicContact CB-CD1 4.18Å |
| 286 | G | 86.6 | Confident | 89.2 | Confident | 2 Ų | 2 | 47 Ų | 47 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 145.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | F276 | F276-G286 PolarHBondContact N-O 2.97Å |
| 287 | R | 89.9 | Confident | 89.3 | Confident | 96 Ų | 96 | 47.3 Ų | 47.3 | 36% | 0.362 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 132.4 | 172.1 | -66.2 | 177.3 | 177.2 | -158.7 | 11.2 | 110.1 | E273 A274 R275 E284 | E273-R287 WeakPolarHBondContact OE1-CD 3.39Å; E273-R287 IonicContact OE1-CZ 2.63Å; E273-R287 IonicContact OE1-NE 2.93Å; E273-R287 PolarHBondContact OE1-NE 2.81Å; E273-R287 IonicContact OE1-NH1 3.38Å; E273-R287 PolarHBondContact OE1-NH1 2.88Å; E273-R287 WeakPolarHBondContact OE2-CD 3.49Å; A274-R287 WeakPolarHBondContact O-CA 3.44Å; R275-R287 HydrophobicContact CG-CG 4.45Å; E284-R287 VanDerWaalsContact CD-NE 3.34Å; E284-R287 WeakPolarHBondContact OE1-CD 3.41Å; E284-R287 WeakPolarHBondContact OE1-CG 3.44Å; E284-R287 IonicContact OE1-CZ 3.19Å; E284-R287 IonicContact OE1-NE 3.77Å; E284-R287 PolarHBondContact OE1-NE 3.39Å; E284-R287 IonicContact OE1-NH2 3.36Å; E284-R287 PolarHBondContact OE1-NH2 3.01Å; E284-R287 IonicContact OE2-CZ 3.36Å; E284-R287 IonicContact OE2-NE 3.28Å; E284-R287 PolarHBondContact OE2-NE 2.89Å; E284-R287 IonicContact OE2-NH2 2.83Å; E284-R287 PolarHBondContact OE2-NH2 2.63Å |
| 288 | V | 89.7 | Confident | 89.4 | Confident | 15 Ų | 15 | 46.8 Ų | 46.8 | 9% | 0.091 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 110.6 | 179.3 | -175.1 | 0 | 0 | 0 | 0 | 109.2 | C5 L7 E273 A274 F276 Y307 | C5-V288 HydrophobicContact CB-CG2 4.28Å; L7-V288 HydrophobicContact CD1-CB 3.96Å; L7-V288 HydrophobicContact CD1-CG1 3.42Å; L7-V288 VanDerWaalsContact CD1-CG1 3.42Å; L7-V288 HydrophobicContact CD1-CG2 3.28Å; L7-V288 HydrophobicContact CG-CG2 4.49Å; E273-V288 CarbonylContact C-O 3.53Å; E273-V288 WeakPolarHBondContact CA-O 3.19Å; A274-V288 HydrophobicContact CB-CB 4.45Å; A274-V288 PolarHBondContact N-O 3.05Å; A274-V288 PolarHBondContact O-N 3.39Å; F276-V288 HydrophobicContact CD2-CG2 4Å; F276-V288 HydrophobicContact CE2-CB 4.32Å; F276-V288 HydrophobicContact CE2-CG2 3.43Å; F276-V288 VanDerWaalsContact CE2-CG2 3.43Å; F276-V288 HydrophobicContact CZ-CG2 4.36Å; V288-Y307 VanDerWaalsContact CB-OH 3.26Å; V288-Y307 WeakPolarHBondContact CB-OH 3.2Å; V288-Y307 WeakPolarHBondContact CG1-OH 3.46Å; V288-Y307 WeakPolarHBondContact CG2-OH 3.45Å |
| 289 | K | 88.1 | Confident | 89.7 | Confident | 141 Ų | 141 | 45.3 Ų | 45.3 | 61% | 0.613 | 22% | 0.223 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -90 | 149.6 | 179 | -62.8 | 178.4 | -176.6 | 176 | 0 | 110 | E273 | E273-K289 HydrophobicContact CB-CG 4.04Å; E273-K289 WeakPolarHBondContact OE2-CE 3.43Å |
| 290 | G | 82.9 | Confident | 90 | Very high | 25 Ų | 25 | 45.2 Ų | 45.2 | 26% | 0.258 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.3 | -23.4 | 172 | 0 | 0 | 0 | 0 | 0 | 114.5 | R317 | G290-R317 VanDerWaalsContact O-CZ 3.23Å; G290-R317 PolarHBondContact O-NE 2.58Å; G290-R317 VanDerWaalsContact O-NE 3.1Å; G290-R317 PolarHBondContact O-NH2 3.5Å |
| 291 | H | 87.5 | Confident | 90.3 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 1% | 0.014 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 137.6 | 178.9 | -74.3 | -90.5 | 0 | 0 | 0 | 111.9 | G270 F272 G293 I295 S309 G311 D313 R317 | G270-H291 CarbonylContact C-O 3.55Å; G270-H291 WeakPolarHBondContact CA-O 3.42Å; F272-H291 HydrophobicContact CB-CB 4.04Å; F272-H291 PolarHBondContact N-O 2.87Å; H291-G293 WeakPolarHBondContact CB-O 3.38Å; H291-I295 HydrophobicContact CB-CG1 4.04Å; H291-S309 PolarHBondContact CE1-O 3.39Å; H291-S309 VanDerWaalsContact NE2-CB 3.34Å; H291-S309 WeakPolarHBondContact NE2-CB 3.15Å; H291-S309 PolarHBondContact NE2-OG 3.02Å; H291-G311 PolarHBondContact CE1-N 3.31Å; H291-G311 WeakPolarHBondContact ND1-CA 3.38Å; H291-D313 IonicContact ND1-OD1 3.94Å; H291-R317 PolarHBondContact CE1-NH1 3.35Å; H291-R317 PolarHBondContact ND1-NH1 3.03Å |
| 292 | F | 84.9 | Confident | 90.6 | Very high | 110 Ų | 110 | 38.8 Ų | 38.8 | 48% | 0.482 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -87.2 | -18.7 | 177.2 | -63.8 | -75.9 | 0 | 0 | 0 | 112.8 | R268 D313 | R268-F292 HydrophobicContact CB-CE1 4.47Å; F292-D313 HydrophobicContact CB-CB 4.14Å; F292-D313 PolarHBondContact N-OD2 2.84Å |
| 293 | G | 86.8 | Confident | 90.6 | Very high | 8 Ų | 8 | 38 Ų | 38 | 8% | 0.082 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -126 | 176.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | F272 H291 | F272-G293 WeakPolarHBondContact CB-O 3.18Å; F272-G293 VanDerWaalsContact CD2-CA 3.46Å; F272-G293 VanDerWaalsContact CD2-O 3.26Å; F272-G293 WeakPolarHBondContact CD2-O 3.28Å; F272-G293 WeakPolarHBondContact CG-O 3.39Å; H291-G293 WeakPolarHBondContact CB-O 3.38Å |
| 294 | P | 91.1 | Very high | 90.6 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.019 | 16% | 0.159 | C | C | . | . | trans | -46.3 | 139.8 | 170.9 | -27.6 | 34.4 | 0 | 0 | 0 | 112.3 | F272 N296 G311 E312 | F272-P294 HydrophobicContact CD1-CB 4.42Å; F272-P294 HydrophobicContact CD1-CG 4.34Å; F272-P294 HydrophobicContact CE1-CB 4.27Å; F272-P294 HydrophobicContact CE1-CG 3.74Å; F272-P294 HydrophobicContact CZ-CG 3.91Å; P294-N296 PolarHBondContact O-N 2.95Å; P294-G311 CarbonylContact O-C 3.58Å; P294-G311 WeakPolarHBondContact O-CA 3.41Å; P294-E312 WeakPolarHBondContact CD-OE2 3.49Å; P294-E312 WeakPolarHBondContact CG-OE2 3.41Å; P294-E312 PolarHBondContact O-N 2.81Å | ||
| 295 | I | 94.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 121.2 | 171.8 | -57.1 | 176.1 | 0 | 0 | 0 | 106.6 | N240 G255 A274 H291 C297 V298 | N240-I295 VanDerWaalsContact CB-O 3.3Å; N240-I295 WeakPolarHBondContact CB-O 3.41Å; N240-I295 PolarHBondContact ND2-O 2.73Å; G255-I295 PolarHBondContact O-N 2.94Å; A274-I295 HydrophobicContact CB-CD1 3.94Å; H291-I295 HydrophobicContact CB-CG1 4.04Å; I295-C297 WeakPolarHBondContact CG2-O 3.43Å; I295-V298 HydrophobicContact CG2-CG1 3.72Å |
| 296 | N | 94.3 | Very high | 90.9 | Very high | 37 Ų | 37 | 33.1 Ų | 33.1 | 20% | 0.198 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -37.8 | -177.9 | -72.3 | -19.9 | 0 | 0 | 0 | 111.8 | I20 S241 P294 G310 | I20-N296 VanDerWaalsContact O-CB 3.26Å; I20-N296 WeakPolarHBondContact O-CB 3.47Å; I20-N296 PolarHBondContact O-ND2 3.39Å; S241-N296 WeakPolarHBondContact CB-O 3.09Å; P294-N296 PolarHBondContact O-N 2.95Å; N296-G310 PolarHBondContact N-O 3.18Å |
| 297 | C | 94.9 | Very high | 91.3 | Very high | 5 Ų | 5 | 33 Ų | 33 | 3% | 0.034 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 147.7 | 179.7 | 59 | 0 | 0 | 0 | 0 | 111.6 | I23 S241 I295 S309 G310 | I23-C297 VanDerWaalsContact CG1-SG 3.59Å; S241-C297 VanDerWaalsContact CB-CA 3.49Å; I295-C297 WeakPolarHBondContact CG2-O 3.43Å; C297-S309 WeakPolarHBondContact O-CA 3.37Å; C297-G310 PolarHBondContact N-O 3.4Å; C297-G310 PolarHBondContact O-N 3.06Å |
| 298 | V | 96.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 146.2 | 170.2 | -67.8 | 0 | 0 | 0 | 0 | 108.9 | Q202 S241 A243 V252 I295 S308 | Q202-V298 PolarHBondContact NE2-O 3.01Å; S241-V298 WeakPolarHBondContact OG-CG2 3.34Å; S241-V298 PolarHBondContact OG-N 3.4Å; A243-V298 HydrophobicContact CB-CG2 4.16Å; V252-V298 HydrophobicContact CG1-CB 4.17Å; V252-V298 HydrophobicContact CG1-CG2 4.03Å; I295-V298 HydrophobicContact CG2-CG1 3.72Å; V298-S308 WeakPolarHBondContact CA-O 3.43Å |
| 299 | A | 95.9 | Very high | 91.8 | Very high | 5 Ų | 5 | 27.8 Ų | 27.8 | 4% | 0.041 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 135.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | I23 Y25 Y307 S308 | I23-A299 HydrophobicContact CG2-CB 4.23Å; Y25-A299 HydrophobicContact CD2-CB 3.91Å; Y25-A299 HydrophobicContact CE2-CB 3.99Å; Y25-A299 WeakPolarHBondContact CE2-O 3.21Å; A299-Y307 CarbonylContact O-C 3.45Å; A299-Y307 WeakPolarHBondContact O-CA 3.3Å; A299-S308 PolarHBondContact N-O 3.45Å; A299-S308 PolarHBondContact O-N 2.98Å |
| 300 | F | 95.6 | Very high | 92.2 | Very high | 18 Ų | 18 | 21 Ų | 21 | 8% | 0.079 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 145.1 | 169.1 | -81.9 | -75.1 | 0 | 0 | 0 | 110.5 | Y25 A243 I244 P246 H250 V252 F276 F321 | Y25-F300 WeakPolarHBondContact CD2-O 3.39Å; A243-F300 HydrophobicContact CB-CD2 3.62Å; A243-F300 HydrophobicContact CB-CE2 4.1Å; A243-F300 WeakPolarHBondContact O-CE2 3.46Å; I244-F300 WeakPolarHBondContact O-CD2 3.34Å; P246-F300 HydrophobicContact CG-CB 4.29Å; H250-F300 AromaticContact CD2-CZ 3.91Å; H250-F300 AromaticContact NE2-CE1 3.99Å; H250-F300 AromaticContact NE2-CZ 3.82Å; V252-F300 HydrophobicContact CB-CE2 3.78Å; V252-F300 HydrophobicContact CB-CZ 3.69Å; V252-F300 HydrophobicContact CG1-CD2 3.91Å; V252-F300 HydrophobicContact CG1-CE1 4.47Å; V252-F300 HydrophobicContact CG1-CE2 3.22Å; V252-F300 HydrophobicContact CG1-CZ 3.55Å; F276-F300 HydrophobicContact CE1-CZ 4.26Å; F300-F321 HydrophobicContact CD1-CE2 4.44Å; F300-F321 HydrophobicContact CE1-CE2 4.06Å; F300-F321 AromaticContact CE1-CZ 3.94Å; F300-F321 HydrophobicContact CE1-CZ 3.94Å |
| 301 | H | 94.8 | Very high | 92.6 | Very high | 16 Ų | 16 | 19.9 Ų | 19.9 | 7% | 0.074 | 10% | 0.099 | C | C | . | . | trans | -66.1 | 142.8 | 163.9 | -174.5 | -76.6 | 0 | 0 | 0 | 108.8 | Y25 G29 P246 D303 G304 S306 | Y25-H301 HydrophobicContact CD1-CB 4.19Å; Y25-H301 AromaticContact CD1-CD2 3.74Å; Y25-H301 HydrophobicContact CE1-CB 3.85Å; Y25-H301 AromaticContact CE1-CD2 3.53Å; Y25-H301 AromaticContact CE1-CG 3.99Å; Y25-H301 HydrophobicContact CE2-CB 4.44Å; G29-H301 VanDerWaalsContact C-NE2 3.27Å; G29-H301 WeakPolarHBondContact CA-NE2 3.25Å; G29-H301 PolarHBondContact O-CD2 2.82Å; G29-H301 PolarHBondContact O-NE2 3.34Å; P246-H301 WeakPolarHBondContact CG-O 3.34Å; H301-D303 IonicContact CE1-OD1 2.74Å; H301-D303 PolarHBondContact CE1-OD1 2.74Å; H301-D303 VanDerWaalsContact CE1-OD1 3.29Å; H301-D303 IonicContact CE1-OD2 2.77Å; H301-D303 IonicContact CG-OD1 2.95Å; H301-D303 PolarHBondContact ND1-N 3.35Å; H301-D303 IonicContact ND1-OD1 3.28Å; H301-D303 PolarHBondContact ND1-OD1 3.28Å; H301-D303 IonicContact ND1-OD2 3.31Å; H301-D303 PolarHBondContact O-N 3.06Å; H301-D303 VanDerWaalsContact O-N 3.15Å; H301-G304 WeakPolarHBondContact O-CA 3.17Å; H301-G304 PolarHBondContact O-N 3.25Å; H301-S306 VanDerWaalsContact CB-O 3.27Å; H301-S306 WeakPolarHBondContact CB-O 3.29Å; H301-S306 WeakPolarHBondContact CB-OG 3.25Å; H301-S306 PolarHBondContact N-O 3.22Å | ||
| 302 | P | 92.2 | Very high | 92.7 | Very high | 32 Ų | 32 | 22.4 Ų | 22.4 | 21% | 0.208 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -32.3 | -177.6 | -25.3 | 30.7 | 0 | 0 | 0 | 114.5 | N26 R27 P246 G304 | N26-P302 WeakPolarHBondContact O-CG 3.42Å; R27-P302 WeakPolarHBondContact O-CB 3.15Å; R27-P302 WeakPolarHBondContact O-CG 3.47Å; P246-P302 WeakPolarHBondContact CB-O 3.48Å; P246-P302 WeakPolarHBondContact CG-O 3.14Å; P302-G304 VanDerWaalsContact C-N 3.27Å; P302-G304 PolarHBondContact O-N 2.94Å |
| 303 | D | 90.7 | Very high | 92.8 | Very high | 57 Ų | 57 | 19 Ų | 19 | 31% | 0.305 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -2.8 | 175.1 | 85.5 | -13.5 | 0 | 0 | 0 | 114.4 | I247 H301 K305 | I247-D303 WeakPolarHBondContact CD1-O 3.22Å; I247-D303 WeakPolarHBondContact CG1-O 3.22Å; H301-D303 IonicContact CE1-OD1 2.74Å; H301-D303 PolarHBondContact CE1-OD1 2.74Å; H301-D303 VanDerWaalsContact CE1-OD1 3.29Å; H301-D303 IonicContact CE1-OD2 2.77Å; H301-D303 IonicContact CG-OD1 2.95Å; H301-D303 PolarHBondContact ND1-N 3.35Å; H301-D303 IonicContact ND1-OD1 3.28Å; H301-D303 PolarHBondContact ND1-OD1 3.28Å; H301-D303 IonicContact ND1-OD2 3.31Å; H301-D303 PolarHBondContact O-N 3.06Å; H301-D303 VanDerWaalsContact O-N 3.15Å; D303-K305 PolarHBondContact O-N 3.09Å; D303-K305 VanDerWaalsContact O-N 3.09Å; D303-K305 WeakPolarHBondContact OD1-CB 3.33Å; D303-K305 PolarHBondContact OD1-N 3.36Å; D303-K305 VanDerWaalsContact OD2-CD 3.32Å; D303-K305 WeakPolarHBondContact OD2-CD 3.35Å; D303-K305 WeakPolarHBondContact OD2-CG 3.04Å |
| 304 | G | 89.8 | Confident | 92.9 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.094 | C | C | . | . | S | Bend | trans | 65.1 | 5.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | H301 P302 F321 | H301-G304 WeakPolarHBondContact O-CA 3.17Å; H301-G304 PolarHBondContact O-N 3.25Å; P302-G304 VanDerWaalsContact C-N 3.27Å; P302-G304 PolarHBondContact O-N 2.94Å; G304-F321 WeakPolarHBondContact O-CD2 3.25Å |
| 305 | K | 90.4 | Very high | 93 | Very high | 119 Ų | 119 | 22.1 Ų | 22.1 | 52% | 0.517 | 11% | 0.107 | S | C | . | . | S | Bend | trans | -87.4 | -12 | -178.7 | -62.1 | -176.9 | -168 | 159 | 0 | 114.7 | D303 F321 F326 | D303-K305 PolarHBondContact O-N 3.09Å; D303-K305 VanDerWaalsContact O-N 3.09Å; D303-K305 WeakPolarHBondContact OD1-CB 3.33Å; D303-K305 PolarHBondContact OD1-N 3.36Å; D303-K305 VanDerWaalsContact OD2-CD 3.32Å; D303-K305 WeakPolarHBondContact OD2-CD 3.35Å; D303-K305 WeakPolarHBondContact OD2-CG 3.04Å; K305-F321 VanDerWaalsContact O-CD2 3.26Å; K305-F321 WeakPolarHBondContact O-CD2 3.27Å; K305-F321 PolarHBondContact O-N 3.02Å; K305-F326 HydrophobicContact CB-CZ 4.42Å; K305-F326 HydrophobicContact CG-CZ 4.22Å |
| 306 | S | 92.4 | Very high | 93 | Very high | 4 Ų | 4 | 22.1 Ų | 22.1 | 3% | 0.028 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 162.4 | 173.1 | 64.6 | 0 | 0 | 0 | 0 | 110.8 | H301 H319 | H301-S306 VanDerWaalsContact CB-O 3.27Å; H301-S306 WeakPolarHBondContact CB-O 3.29Å; H301-S306 WeakPolarHBondContact CB-OG 3.25Å; H301-S306 PolarHBondContact N-O 3.22Å; S306-H319 CarbonylContact C-O 3.52Å; S306-H319 WeakPolarHBondContact CA-O 3.17Å; S306-H319 WeakPolarHBondContact CB-O 3.26Å |
| 307 | Y | 94.8 | Very high | 93 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 148.1 | 168.7 | 82 | -80 | 0 | 0 | 0 | 110 | L7 V252 A274 F276 V288 A299 H319 F321 | L7-Y307 HydrophobicContact CD1-CE1 4.06Å; L7-Y307 HydrophobicContact CD2-CE1 4.3Å; V252-Y307 HydrophobicContact CG2-CE2 4.41Å; A274-Y307 HydrophobicContact CB-CE2 4.25Å; F276-Y307 HydrophobicContact CE2-CE1 4.23Å; F276-Y307 AromaticContact CZ-CD1 3.98Å; F276-Y307 HydrophobicContact CZ-CD1 3.98Å; F276-Y307 AromaticContact CZ-CE1 3.55Å; F276-Y307 HydrophobicContact CZ-CE1 3.55Å; F276-Y307 HydrophobicContact CZ-CE2 4.26Å; F276-Y307 HydrophobicContact CZ-CG 4.47Å; F276-Y307 AromaticContact CZ-CZ 3.72Å; V288-Y307 VanDerWaalsContact CB-OH 3.26Å; V288-Y307 WeakPolarHBondContact CB-OH 3.2Å; V288-Y307 WeakPolarHBondContact CG1-OH 3.46Å; V288-Y307 WeakPolarHBondContact CG2-OH 3.45Å; A299-Y307 CarbonylContact O-C 3.45Å; A299-Y307 WeakPolarHBondContact O-CA 3.3Å; Y307-H319 HydrophobicContact CD1-CB 3.64Å; Y307-H319 HydrophobicContact CE1-CB 3.26Å; Y307-H319 AromaticContact CE1-CG 3.57Å; Y307-H319 AromaticContact CE1-ND1 3.94Å; Y307-H319 AromaticContact CE2-ND1 3.74Å; Y307-H319 HydrophobicContact CG-CB 4.46Å; Y307-H319 AromaticContact CZ-CG 3.53Å; Y307-H319 AromaticContact CZ-ND1 3.51Å; Y307-H319 PolarHBondContact N-O 3.25Å; Y307-H319 PolarHBondContact O-N 3.49Å; Y307-F321 AromaticContact CD1-CE1 3.88Å; Y307-F321 HydrophobicContact CD1-CE1 3.88Å; Y307-F321 HydrophobicContact CD1-CE2 4.11Å; Y307-F321 AromaticContact CD1-CZ 3.4Å; Y307-F321 HydrophobicContact CD1-CZ 3.4Å; Y307-F321 HydrophobicContact CE1-CE1 4.11Å; Y307-F321 HydrophobicContact CE1-CZ 4.08Å; Y307-F321 HydrophobicContact CG-CZ 4.25Å |
| 308 | S | 95.8 | Very high | 93 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 148.8 | 175.3 | -80.6 | 0 | 0 | 0 | 0 | 111 | Y25 V298 A299 R317 | Y25-S308 WeakPolarHBondContact OH-CB 3.24Å; Y25-S308 PolarHBondContact OH-N 2.89Å; Y25-S308 PolarHBondContact OH-OG 2.68Å; V298-S308 WeakPolarHBondContact CA-O 3.43Å; A299-S308 PolarHBondContact N-O 3.45Å; A299-S308 PolarHBondContact O-N 2.98Å; S308-R317 VanDerWaalsContact CA-O 3.31Å; S308-R317 WeakPolarHBondContact CA-O 3.07Å |
| 309 | S | 95.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 134.9 | 176.4 | 51.2 | 0 | 0 | 0 | 0 | 110.3 | H291 C297 R317 H319 | H291-S309 PolarHBondContact CE1-O 3.39Å; H291-S309 VanDerWaalsContact NE2-CB 3.34Å; H291-S309 WeakPolarHBondContact NE2-CB 3.15Å; H291-S309 PolarHBondContact NE2-OG 3.02Å; C297-S309 WeakPolarHBondContact O-CA 3.37Å; S309-R317 PolarHBondContact N-O 3.45Å; S309-R317 PolarHBondContact O-N 2.95Å; S309-H319 PolarHBondContact OG-CE1 3Å; S309-H319 VanDerWaalsContact OG-CE1 3.26Å |
| 310 | G | 94.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 124.3 | -178 | 0 | 0 | 0 | 0 | 0 | 110.3 | I23 N296 C297 | I23-G310 VanDerWaalsContact CD1-CA 3.46Å; N296-G310 PolarHBondContact N-O 3.18Å; C297-G310 PolarHBondContact N-O 3.4Å; C297-G310 PolarHBondContact O-N 3.06Å |
| 311 | G | 91.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 162.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | I20 H291 P294 D313 G314 Y315 | I20-G311 PolarHBondContact N-O 3.17Å; I20-G311 VanDerWaalsContact N-O 3.09Å; H291-G311 PolarHBondContact CE1-N 3.31Å; H291-G311 WeakPolarHBondContact ND1-CA 3.38Å; P294-G311 CarbonylContact O-C 3.58Å; P294-G311 WeakPolarHBondContact O-CA 3.41Å; G311-D313 WeakPolarHBondContact CA-OD1 3.35Å; G311-D313 PolarHBondContact O-N 2.97Å; G311-G314 PolarHBondContact O-N 3.19Å; G311-Y315 PolarHBondContact N-O 3.27Å |
| 312 | E | 90.6 | Very high | 91.8 | Very high | 57 Ų | 57 | 23.2 Ų | 23.2 | 27% | 0.266 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -20.3 | 165.7 | -162 | 177.8 | -179.4 | 0 | 0 | 112.1 | S19 P294 G314 | S19-E312 WeakPolarHBondContact CA-O 3.26Å; S19-E312 WeakPolarHBondContact CB-O 3.36Å; S19-E312 WeakPolarHBondContact OG-CG 3.42Å; S19-E312 PolarHBondContact OG-O 3.37Å; P294-E312 WeakPolarHBondContact CD-OE2 3.49Å; P294-E312 WeakPolarHBondContact CG-OE2 3.41Å; P294-E312 PolarHBondContact O-N 2.81Å; E312-G314 PolarHBondContact O-N 3.2Å |
| 313 | D | 87.3 | Confident | 91.3 | Very high | 37 Ų | 37 | 26 Ų | 26 | 20% | 0.198 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -6.1 | 175.4 | 62.8 | 3.4 | 0 | 0 | 0 | 114.5 | H291 F292 G311 Y315 R317 | H291-D313 IonicContact ND1-OD1 3.94Å; F292-D313 HydrophobicContact CB-CB 4.14Å; F292-D313 PolarHBondContact N-OD2 2.84Å; G311-D313 WeakPolarHBondContact CA-OD1 3.35Å; G311-D313 PolarHBondContact O-N 2.97Å; D313-Y315 VanDerWaalsContact C-N 3.3Å; D313-Y315 HydrophobicContact CB-CD2 4.14Å; D313-Y315 PolarHBondContact OD1-N 3.27Å; D313-R317 IonicContact OD1-NH1 2.69Å; D313-R317 PolarHBondContact OD1-NH1 3.15Å; D313-R317 IonicContact OD2-CZ 3.38Å; D313-R317 VanDerWaalsContact OD2-CZ 3.31Å; D313-R317 IonicContact OD2-NH1 3.72Å; D313-R317 PolarHBondContact OD2-NH1 3.49Å; D313-R317 IonicContact OD2-NH2 3.74Å; D313-R317 PolarHBondContact OD2-NH2 2.8Å |
| 314 | G | 89.4 | Confident | 90.9 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | S | Bend | trans | 81.3 | 7.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | R18 G311 E312 | R18-G314 WeakPolarHBondContact O-CA 3.33Å; G311-G314 PolarHBondContact O-N 3.19Å; E312-G314 PolarHBondContact O-N 3.2Å |
| 315 | Y | 91.9 | Very high | 90.4 | Very high | 77 Ų | 77 | 30.6 Ų | 30.6 | 30% | 0.302 | 15% | 0.148 | S | C | . | . | trans | -104 | 137.5 | 175.4 | -58.1 | -60.5 | 0 | 0 | 0 | 111.1 | L12 Q14 G311 D313 | L12-Y315 HydrophobicContact CD1-CG 4.25Å; L12-Y315 HydrophobicContact CD2-CD1 4.14Å; L12-Y315 HydrophobicContact CD2-CE1 4.47Å; L12-Y315 HydrophobicContact CD2-CG 4.37Å; L12-Y315 HydrophobicContact CG-CD1 4.48Å; L12-Y315 HydrophobicContact CG-CG 4.43Å; Q14-Y315 HydrophobicContact CB-CD1 4.46Å; Q14-Y315 HydrophobicContact CB-CE1 4.36Å; Q14-Y315 HydrophobicContact CG-CD1 3.79Å; Q14-Y315 HydrophobicContact CG-CE1 3.7Å; G311-Y315 PolarHBondContact N-O 3.27Å; D313-Y315 VanDerWaalsContact C-N 3.3Å; D313-Y315 HydrophobicContact CB-CD2 4.14Å; D313-Y315 PolarHBondContact OD1-N 3.27Å | ||
| 316 | T | 94.3 | Very high | 89.9 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 133.8 | 165.9 | -60.8 | 0 | 0 | 0 | 0 | 108.6 | L13 I23 | L13-T316 HydrophobicContact CD1-CG2 3.79Å; L13-T316 HydrophobicContact CG-CG2 4.46Å; L13-T316 PolarHBondContact N-O 3.09Å; L13-T316 PolarHBondContact O-N 3.41Å; I23-T316 HydrophobicContact CD1-CG2 3.54Å; I23-T316 HydrophobicContact CG1-CG2 4.25Å |
| 317 | R | 94.2 | Very high | 89.2 | Confident | 7 Ų | 7 | 34.2 Ų | 34.2 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 118.4 | -179.8 | -70.3 | 173.1 | -177 | 75.8 | -5.5 | 109.8 | I11 L12 G290 H291 S308 S309 D313 H319 | I11-R317 WeakPolarHBondContact O-CA 3.42Å; L12-R317 HydrophobicContact CD1-CG 3.9Å; G290-R317 VanDerWaalsContact O-CZ 3.23Å; G290-R317 PolarHBondContact O-NE 2.58Å; G290-R317 VanDerWaalsContact O-NE 3.1Å; G290-R317 PolarHBondContact O-NH2 3.5Å; H291-R317 PolarHBondContact CE1-NH1 3.35Å; H291-R317 PolarHBondContact ND1-NH1 3.03Å; S308-R317 VanDerWaalsContact CA-O 3.31Å; S308-R317 WeakPolarHBondContact CA-O 3.07Å; S309-R317 PolarHBondContact N-O 3.45Å; S309-R317 PolarHBondContact O-N 2.95Å; D313-R317 IonicContact OD1-NH1 2.69Å; D313-R317 PolarHBondContact OD1-NH1 3.15Å; D313-R317 IonicContact OD2-CZ 3.38Å; D313-R317 VanDerWaalsContact OD2-CZ 3.31Å; D313-R317 IonicContact OD2-NH1 3.72Å; D313-R317 PolarHBondContact OD2-NH1 3.49Å; D313-R317 IonicContact OD2-NH2 3.74Å; D313-R317 PolarHBondContact OD2-NH2 2.8Å; R317-H319 VanDerWaalsContact CB-CE1 3.44Å; R317-H319 WeakPolarHBondContact CB-CE1 3.21Å; R317-H319 PolarHBondContact O-ND1 3.43Å |
| 318 | I | 94.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 127 | 170.8 | -46.4 | 175.9 | 0 | 0 | 0 | 107.8 | P10 I11 L13 I32 | P10-I318 CarbonylContact C-O 3.6Å; P10-I318 WeakPolarHBondContact CA-O 3.28Å; P10-I318 WeakPolarHBondContact CB-O 3.43Å; I11-I318 HydrophobicContact CB-CB 4.24Å; I11-I318 PolarHBondContact N-O 3.46Å; I11-I318 PolarHBondContact O-N 3.39Å; L13-I318 HydrophobicContact CD1-CD1 3.89Å; L13-I318 HydrophobicContact CD1-CG1 3.92Å; L13-I318 HydrophobicContact CD2-CD1 3.94Å; L13-I318 HydrophobicContact CD2-CG1 4.38Å; L13-I318 HydrophobicContact CG-CD1 4.19Å; L13-I318 HydrophobicContact CG-CG1 4.16Å; I32-I318 HydrophobicContact CD1-CD1 3.52Å; I32-I318 HydrophobicContact CD1-CG1 3.79Å |
| 319 | H | 93 | Very high | 86.3 | Confident | 3 Ų | 3 | 46.2 Ų | 46.2 | 1% | 0.014 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 122.6 | 177 | -57.8 | 78.8 | 0 | 0 | 0 | 108.4 | L7 S306 Y307 S309 R317 | L7-H319 HydrophobicContact CD1-CB 4.33Å; L7-H319 HydrophobicContact CD2-CB 4.28Å; S306-H319 CarbonylContact C-O 3.52Å; S306-H319 WeakPolarHBondContact CA-O 3.17Å; S306-H319 WeakPolarHBondContact CB-O 3.26Å; Y307-H319 HydrophobicContact CD1-CB 3.64Å; Y307-H319 HydrophobicContact CE1-CB 3.26Å; Y307-H319 AromaticContact CE1-CG 3.57Å; Y307-H319 AromaticContact CE1-ND1 3.94Å; Y307-H319 AromaticContact CE2-ND1 3.74Å; Y307-H319 HydrophobicContact CG-CB 4.46Å; Y307-H319 AromaticContact CZ-CG 3.53Å; Y307-H319 AromaticContact CZ-ND1 3.51Å; Y307-H319 PolarHBondContact N-O 3.25Å; Y307-H319 PolarHBondContact O-N 3.49Å; S309-H319 PolarHBondContact OG-CE1 3Å; S309-H319 VanDerWaalsContact OG-CE1 3.26Å; R317-H319 VanDerWaalsContact CB-CE1 3.44Å; R317-H319 WeakPolarHBondContact CB-CE1 3.21Å; R317-H319 PolarHBondContact O-ND1 3.43Å |
| 320 | H | 90.6 | Very high | 84.5 | Confident | 40 Ų | 40 | 49.4 Ų | 49.4 | 19% | 0.185 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 132.6 | 172 | -63.1 | -84.9 | 0 | 0 | 0 | 109.3 | Q8 | Q8-H320 HydrophobicContact CB-CB 4.27Å; Q8-H320 PolarHBondContact N-O 3.19Å |
| 321 | F | 89.6 | Confident | 82.5 | Confident | 11 Ų | 11 | 58.7 Ų | 58.7 | 5% | 0.048 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -74.3 | 135.3 | 174.9 | -63.8 | -65.6 | 0 | 0 | 0 | 110.1 | L7 F276 F300 G304 K305 Y307 Y325 F326 | L7-F321 HydrophobicContact CD2-CD1 3.24Å; L7-F321 HydrophobicContact CD2-CE1 3.59Å; L7-F321 HydrophobicContact CD2-CG 4.13Å; F276-F321 HydrophobicContact CE1-CE1 4.07Å; F276-F321 AromaticContact CE1-CZ 3.99Å; F276-F321 HydrophobicContact CE1-CZ 3.99Å; F276-F321 HydrophobicContact CZ-CE1 4.19Å; F276-F321 HydrophobicContact CZ-CZ 4.26Å; F300-F321 HydrophobicContact CD1-CE2 4.44Å; F300-F321 HydrophobicContact CE1-CE2 4.06Å; F300-F321 AromaticContact CE1-CZ 3.94Å; F300-F321 HydrophobicContact CE1-CZ 3.94Å; G304-F321 WeakPolarHBondContact O-CD2 3.25Å; K305-F321 VanDerWaalsContact O-CD2 3.26Å; K305-F321 WeakPolarHBondContact O-CD2 3.27Å; K305-F321 PolarHBondContact O-N 3.02Å; Y307-F321 AromaticContact CD1-CE1 3.88Å; Y307-F321 HydrophobicContact CD1-CE1 3.88Å; Y307-F321 HydrophobicContact CD1-CE2 4.11Å; Y307-F321 AromaticContact CD1-CZ 3.4Å; Y307-F321 HydrophobicContact CD1-CZ 3.4Å; Y307-F321 HydrophobicContact CE1-CE1 4.11Å; Y307-F321 HydrophobicContact CE1-CZ 4.08Å; Y307-F321 HydrophobicContact CG-CZ 4.25Å; F321-Y325 HydrophobicContact CB-CD1 3.69Å; F321-Y325 HydrophobicContact CB-CE1 4.39Å; F321-Y325 HydrophobicContact CB-CG 4Å; F321-Y325 AromaticContact CD1-CD1 3.46Å; F321-Y325 HydrophobicContact CD1-CD1 3.46Å; F321-Y325 VanDerWaalsContact CD1-CD1 3.46Å; F321-Y325 AromaticContact CD1-CD2 3.91Å; F321-Y325 HydrophobicContact CD1-CD2 3.91Å; F321-Y325 AromaticContact CD1-CE1 3.45Å; F321-Y325 HydrophobicContact CD1-CE1 3.45Å; F321-Y325 VanDerWaalsContact CD1-CE1 3.45Å; F321-Y325 AromaticContact CD1-CE2 3.93Å; F321-Y325 HydrophobicContact CD1-CE2 3.93Å; F321-Y325 AromaticContact CD1-CG 3.66Å; F321-Y325 HydrophobicContact CD1-CG 3.66Å; F321-Y325 AromaticContact CD1-CZ 3.68Å; F321-Y325 HydrophobicContact CD2-CD1 4.13Å; F321-Y325 AromaticContact CD2-CE1 4Å; F321-Y325 HydrophobicContact CD2-CE1 4Å; F321-Y325 HydrophobicContact CE1-CD1 4.12Å; F321-Y325 HydrophobicContact CE1-CD2 4.39Å; F321-Y325 AromaticContact CE1-CE1 3.62Å; F321-Y325 HydrophobicContact CE1-CE1 3.62Å; F321-Y325 AromaticContact CE1-CE2 3.95Å; F321-Y325 HydrophobicContact CE1-CE2 3.95Å; F321-Y325 HydrophobicContact CE1-CG 4.45Å; F321-Y325 AromaticContact CE1-CZ 3.5Å; F321-Y325 VanDerWaalsContact CE1-CZ 3.5Å; F321-Y325 HydrophobicContact CE2-CE1 4.15Å; F321-Y325 AromaticContact CG-CD1 3.5Å; F321-Y325 HydrophobicContact CG-CD1 3.5Å; F321-Y325 AromaticContact CG-CE1 3.7Å; F321-Y325 HydrophobicContact CG-CE1 3.7Å; F321-Y325 HydrophobicContact CG-CG 4.02Å; F321-Y325 AromaticContact CZ-CE1 3.98Å; F321-Y325 HydrophobicContact CZ-CE1 3.98Å; F321-F326 HydrophobicContact CB-CE2 3.88Å; F321-F326 HydrophobicContact CB-CZ 3.68Å; F321-F326 HydrophobicContact CD2-CZ 4.28Å; F321-F326 HydrophobicContact CG-CZ 4.33Å |
| 322 | D | 85.3 | Confident | 80.2 | Confident | 42 Ų | 42 | 66.1 Ų | 66.1 | 23% | 0.225 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 154.3 | 169.4 | -79.3 | -46.3 | 0 | 0 | 0 | 110.5 | A6 Q8 Q324 Y325 | A6-D322 HydrophobicContact CB-CB 4.18Å; A6-D322 PolarHBondContact O-N 3.44Å; Q8-D322 WeakPolarHBondContact CG-OD1 3.48Å; Q8-D322 PolarHBondContact N-OD2 2.97Å; Q8-D322 PolarHBondContact NE2-OD1 2.99Å; D322-Q324 PolarHBondContact O-N 2.84Å; D322-Q324 VanDerWaalsContact O-N 3.08Å; D322-Y325 WeakPolarHBondContact O-CB 3.46Å; D322-Y325 PolarHBondContact O-N 3.37Å |
| 323 | P | 82.1 | Confident | 79.7 | Confident | 92 Ų | 92 | 66.6 Ų | 66.6 | 60% | 0.597 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -51.6 | -35.6 | 176.8 | -29.4 | 36.4 | 0 | 0 | 0 | 113.9 | Y325 F326 | P323-Y325 PolarHBondContact O-N 2.92Å; P323-Y325 VanDerWaalsContact O-N 3.12Å; P323-F326 PolarHBondContact O-N 3.29Å |
| 324 | Q | 81.2 | Confident | 79.3 | Confident | 142 Ų | 142 | 68.1 Ų | 68.1 | 66% | 0.664 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -60.3 | -22.1 | 177.1 | -64.6 | 176.4 | 3.3 | 0 | 0 | 113.6 | A6 D322 F326 | A6-Q324 HydrophobicContact CB-CB 4.34Å; D322-Q324 PolarHBondContact O-N 2.84Å; D322-Q324 VanDerWaalsContact O-N 3.08Å; Q324-F326 VanDerWaalsContact C-N 3.32Å |
| 325 | Y | 80.3 | Confident | 78.8 | Confident | 10 Ų | 10 | 71.9 Ų | 71.9 | 4% | 0.039 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.9 | -36 | 174.6 | -178.5 | -108 | 0 | 0 | 0 | 112.3 | C5 H250 F285 F321 D322 P323 F328 | C5-Y325 WeakPolarHBondContact SG-CD2 3.45Å; C5-Y325 WeakPolarHBondContact SG-CE2 3.42Å; H250-Y325 PolarHBondContact CD2-OH 3.26Å; H250-Y325 AromaticContact CE1-CE1 3.58Å; H250-Y325 AromaticContact CE1-CZ 3.47Å; H250-Y325 VanDerWaalsContact CE1-CZ 3.47Å; H250-Y325 PolarHBondContact CE1-OH 3.29Å; H250-Y325 PolarHBondContact ND1-OH 3.42Å; H250-Y325 AromaticContact NE2-CZ 3.78Å; H250-Y325 PolarHBondContact NE2-OH 3.44Å; F285-Y325 HydrophobicContact CE2-CE2 4.17Å; F321-Y325 HydrophobicContact CB-CD1 3.69Å; F321-Y325 HydrophobicContact CB-CE1 4.39Å; F321-Y325 HydrophobicContact CB-CG 4Å; F321-Y325 AromaticContact CD1-CD1 3.46Å; F321-Y325 HydrophobicContact CD1-CD1 3.46Å; F321-Y325 VanDerWaalsContact CD1-CD1 3.46Å; F321-Y325 AromaticContact CD1-CD2 3.91Å; F321-Y325 HydrophobicContact CD1-CD2 3.91Å; F321-Y325 AromaticContact CD1-CE1 3.45Å; F321-Y325 HydrophobicContact CD1-CE1 3.45Å; F321-Y325 VanDerWaalsContact CD1-CE1 3.45Å; F321-Y325 AromaticContact CD1-CE2 3.93Å; F321-Y325 HydrophobicContact CD1-CE2 3.93Å; F321-Y325 AromaticContact CD1-CG 3.66Å; F321-Y325 HydrophobicContact CD1-CG 3.66Å; F321-Y325 AromaticContact CD1-CZ 3.68Å; F321-Y325 HydrophobicContact CD2-CD1 4.13Å; F321-Y325 AromaticContact CD2-CE1 4Å; F321-Y325 HydrophobicContact CD2-CE1 4Å; F321-Y325 HydrophobicContact CE1-CD1 4.12Å; F321-Y325 HydrophobicContact CE1-CD2 4.39Å; F321-Y325 AromaticContact CE1-CE1 3.62Å; F321-Y325 HydrophobicContact CE1-CE1 3.62Å; F321-Y325 AromaticContact CE1-CE2 3.95Å; F321-Y325 HydrophobicContact CE1-CE2 3.95Å; F321-Y325 HydrophobicContact CE1-CG 4.45Å; F321-Y325 AromaticContact CE1-CZ 3.5Å; F321-Y325 VanDerWaalsContact CE1-CZ 3.5Å; F321-Y325 HydrophobicContact CE2-CE1 4.15Å; F321-Y325 AromaticContact CG-CD1 3.5Å; F321-Y325 HydrophobicContact CG-CD1 3.5Å; F321-Y325 AromaticContact CG-CE1 3.7Å; F321-Y325 HydrophobicContact CG-CE1 3.7Å; F321-Y325 HydrophobicContact CG-CG 4.02Å; F321-Y325 AromaticContact CZ-CE1 3.98Å; F321-Y325 HydrophobicContact CZ-CE1 3.98Å; D322-Y325 WeakPolarHBondContact O-CB 3.46Å; D322-Y325 PolarHBondContact O-N 3.37Å; P323-Y325 PolarHBondContact O-N 2.92Å; P323-Y325 VanDerWaalsContact O-N 3.12Å; Y325-F328 VanDerWaalsContact O-CB 3.29Å; Y325-F328 WeakPolarHBondContact O-CB 3.38Å; Y325-F328 PolarHBondContact O-N 3.11Å |
| 326 | F | 79.5 | Confident | 78 | Confident | 65 Ų | 65 | 71.6 Ų | 71.6 | 29% | 0.285 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -82.6 | -23.1 | -177.7 | -56.4 | -73.6 | 0 | 0 | 0 | 112.5 | M248 K305 F321 P323 Q324 F328 | M248-F326 HydrophobicContact CG-CD1 4.31Å; K305-F326 HydrophobicContact CB-CZ 4.42Å; K305-F326 HydrophobicContact CG-CZ 4.22Å; F321-F326 HydrophobicContact CB-CE2 3.88Å; F321-F326 HydrophobicContact CB-CZ 3.68Å; F321-F326 HydrophobicContact CD2-CZ 4.28Å; F321-F326 HydrophobicContact CG-CZ 4.33Å; P323-F326 PolarHBondContact O-N 3.29Å; Q324-F326 VanDerWaalsContact C-N 3.32Å; F326-F328 PolarHBondContact O-N 2.82Å |
| 327 | D | 76.8 | Confident | 77 | Confident | 134 Ų | 134 | 76 Ų | 76 | 72% | 0.717 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -1.2 | 173 | -60 | -33 | 0 | 0 | 0 | 112.1 | E329 | D327-E329 PolarHBondContact O-N 2.79Š|
| 328 | F | 69.1 | Low | 75.8 | Confident | 76 Ų | 76 | 80.6 Ų | 80.6 | 33% | 0.333 | 43% | 0.432 | S | S | . | . | trans | -79.7 | 100 | -178.1 | -174 | -102.9 | 0 | 0 | 0 | 111.1 | F285 Y325 F326 L330 | F285-F328 HydrophobicContact CB-CE1 4.41Å; F285-F328 HydrophobicContact CD2-CD1 4.49Å; F285-F328 AromaticContact CD2-CE1 3.94Å; F285-F328 HydrophobicContact CD2-CE1 3.94Å; F285-F328 HydrophobicContact CG-CE1 4.34Å; Y325-F328 VanDerWaalsContact O-CB 3.29Å; Y325-F328 WeakPolarHBondContact O-CB 3.38Å; Y325-F328 PolarHBondContact O-N 3.11Å; F326-F328 PolarHBondContact O-N 2.82Å; F328-L330 HydrophobicContact CE1-CD1 3.9Å; F328-L330 HydrophobicContact CE1-CD2 4.41Å; F328-L330 HydrophobicContact CE1-CG 3.65Å; F328-L330 HydrophobicContact CZ-CD2 4.21Å; F328-L330 HydrophobicContact CZ-CG 3.87Å | ||
| 329 | E | 62.2 | Low | 74.5 | Confident | 177 Ų | 177 | 86.4 Ų | 86.4 | 83% | 0.827 | 46% | 0.463 | S | S | * | . | trans | -97.5 | 127.5 | 159.9 | -70.6 | -175.5 | 164.9 | 0 | 0 | 108.9 | D327 E331 | D327-E329 PolarHBondContact O-N 2.79Å; E329-E331 PolarHBondContact O-N 3.43Å | ||
| 330 | L | 56.5 | Low | 73.1 | Confident | 67 Ų | 67 | 92.8 Ų | 92.8 | 35% | 0.351 | 50% | 0.497 | S | S | . | . | trans | -67.4 | 115.3 | 167.1 | -89.7 | 142.2 | 0 | 0 | 0 | 107.7 | H278 F285 F328 A332 | H278-L330 HydrophobicContact CB-CD1 4.37Å; F285-L330 HydrophobicContact CB-CD1 4.18Å; F328-L330 HydrophobicContact CE1-CD1 3.9Å; F328-L330 HydrophobicContact CE1-CD2 4.41Å; F328-L330 HydrophobicContact CE1-CG 3.65Å; F328-L330 HydrophobicContact CZ-CD2 4.21Å; F328-L330 HydrophobicContact CZ-CG 3.87Å; L330-A332 PolarHBondContact O-N 3.07Å; L330-A332 VanDerWaalsContact O-N 3.17Å | ||
| 331 | E | 52.3 | Low | 71.6 | Confident | 194 Ų | 194 | 97.2 Ų | 97.2 | 91% | 0.907 | 52% | 0.523 | S | S | * | . | trans | -56.8 | 120.3 | 167.9 | -69.5 | 175 | 158.2 | 0 | 0 | 108.3 | E329 | E329-E331 PolarHBondContact O-N 3.43Š| ||
| 332 | A | 44.9 | Very low | 70 | Confident | 156 Ų | 156 | 105 Ų | 105 | 100% | 1.289 | 57% | 0.567 | S | S | * | * | trans | -70.5 | 0 | -173 | 0 | 0 | 0 | 0 | 0 | 114.5 | L330 | L330-A332 PolarHBondContact O-N 3.07Å; L330-A332 VanDerWaalsContact O-N 3.17Å |
Retrieved 332 of 332 residues in 386.6 ms
(Link to these results)