| 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 | 34.9 | Very low | 68.6 | Low | 241 Ų | 241 | 111.3 Ų | 111.3 | 100% | 1.187 | 62% | 0.62 | S | S | * | * | 0 | 102 | 0 | -80.5 | 167.4 | 169.1 | 0 | 0 | 106.7 | I3 | M1-I3 PolarHBondContact O-N 2.72Š| |||
| 2 | G | 38.4 | Very low | 71 | Confident | 73 Ų | 73 | 107.8 Ų | 107.8 | 75% | 0.753 | 60% | 0.604 | S | S | * | * | trans | -63.6 | 128.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | I4 | G2-I4 PolarHBondContact O-N 3.38Š| ||
| 3 | I | 43.7 | Very low | 73 | Confident | 158 Ų | 158 | 109.8 Ų | 109.8 | 81% | 0.81 | 61% | 0.612 | S | S | * | * | trans | -55.2 | 107.5 | 168.9 | -61.5 | 168.9 | 0 | 0 | 0 | 105 | M1 D5 | M1-I3 PolarHBondContact O-N 2.72Å; I3-D5 PolarHBondContact O-N 3.22Å | ||
| 4 | I | 50.1 | Low | 74.6 | Confident | 148 Ų | 148 | 112.8 Ų | 112.8 | 76% | 0.759 | 62% | 0.619 | S | S | * | * | trans | -59 | 113.2 | 162.6 | -54.8 | 170 | 0 | 0 | 0 | 102.2 | G2 E6 | G2-I4 PolarHBondContact O-N 3.38Å; I4-E6 PolarHBondContact O-N 2.91Å | ||
| 5 | D | 61 | Low | 76 | Confident | 65 Ų | 65 | 108.3 Ų | 108.3 | 35% | 0.348 | 59% | 0.594 | S | S | . | * | trans | -67.1 | 85.6 | -174.3 | -146.3 | 0.3 | 0 | 0 | 0 | 106.5 | I3 G7 L8 K231 | I3-D5 PolarHBondContact O-N 3.22Å; D5-G7 PolarHBondContact O-N 3.29Å; D5-L8 HydrophobicContact CB-CD1 3.86Å; D5-L8 HydrophobicContact CB-CG 4.13Å; D5-L8 PolarHBondContact O-N 3.06Å; D5-L8 WeakPolarHBondContact OD2-CD1 3.27Å; D5-K231 IonicContact OD1-NZ 3.96Å; D5-K231 PolarHBondContact OD1-NZ 3.06Å; D5-K231 WeakPolarHBondContact OD2-CE 3.46Å; D5-K231 IonicContact OD2-NZ 3.29Å; D5-K231 PolarHBondContact OD2-NZ 3.31Å | ||
| 6 | E | 64.6 | Low | 77.2 | Confident | 188 Ų | 188 | 102.3 Ų | 102.3 | 88% | 0.879 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.1 | 116.2 | -169.1 | -76 | -176.8 | 168.7 | 0 | 0 | 109.2 | I4 | I4-E6 PolarHBondContact O-N 2.91Š|
| 7 | G | 84.4 | Confident | 78.3 | Confident | 61 Ų | 61 | 103.4 Ų | 103.4 | 63% | 0.629 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 101.5 | 4.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | D5 | D5-G7 PolarHBondContact O-N 3.29Š|
| 8 | L | 92.5 | Very high | 79.3 | Confident | 43 Ų | 43 | 99.4 Ų | 99.4 | 23% | 0.225 | 53% | 0.533 | C | S | . | . | P | Polyproline II helix | trans | -75.7 | 143.4 | 166.4 | -64.8 | -173.3 | 0 | 0 | 0 | 111.3 | D5 K231 | D5-L8 HydrophobicContact CB-CD1 3.86Å; D5-L8 HydrophobicContact CB-CG 4.13Å; D5-L8 PolarHBondContact O-N 3.06Å; D5-L8 WeakPolarHBondContact OD2-CD1 3.27Å; L8-K231 HydrophobicContact CD1-CG 4.49Å; L8-K231 HydrophobicContact CD2-CB 4.07Å |
| 9 | P | 94.2 | Very high | 80.2 | Confident | 32 Ų | 32 | 94.5 Ų | 94.5 | 21% | 0.208 | 51% | 0.506 | C | S | . | . | P | Polyproline II helix | trans | -54.7 | 147.1 | 171.8 | -26 | 34.9 | 0 | 0 | 0 | 112.7 | I222 F232 | P9-I222 HydrophobicContact CB-CG1 4.3Å; P9-I222 HydrophobicContact CG-CB 4.34Å; P9-I222 HydrophobicContact CG-CD1 4.35Å; P9-I222 HydrophobicContact CG-CG1 4.3Å; P9-F232 VanDerWaalsContact CD-O 3.27Å; P9-F232 WeakPolarHBondContact CD-O 3.38Å |
| 10 | E | 95.3 | Very high | 80.9 | Confident | 165 Ų | 165 | 93.6 Ų | 93.6 | 77% | 0.771 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 144.5 | 178.9 | -171 | 177.8 | -177.1 | 0 | 0 | 111.6 | H223 | E10-H223 WeakPolarHBondContact O-CA 3.37Å; E10-H223 PolarHBondContact O-ND1 3.47Å |
| 11 | I | 95.9 | Very high | 81.4 | Confident | 50 Ų | 50 | 89.5 Ų | 89.5 | 26% | 0.256 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 128.3 | 172.5 | -68.1 | 174.2 | 0 | 0 | 0 | 109 | D16 H223 | I11-D16 HydrophobicContact CG2-CB 3.7Å; I11-H223 WeakPolarHBondContact CA-O 3.31Å |
| 12 | V | 97.6 | Very high | 84 | Confident | 70 Ų | 70 | 79.3 Ų | 79.3 | 42% | 0.424 | 43% | 0.428 | S | S | . | . | trans | -97.1 | 110.2 | 173.5 | 176.5 | 0 | 0 | 0 | 0 | 108.2 | E14 L15 D16 H223 | V12-E14 VanDerWaalsContact C-N 3.34Å; V12-E14 PolarHBondContact O-N 2.72Å; V12-L15 HydrophobicContact CB-CB 4.05Å; V12-L15 HydrophobicContact CG1-CB 4.1Å; V12-L15 WeakPolarHBondContact O-CB 3.41Å; V12-L15 PolarHBondContact O-N 3.44Å; V12-D16 WeakPolarHBondContact O-CB 3.34Å; V12-D16 PolarHBondContact O-N 2.8Å; V12-H223 HydrophobicContact CB-CB 4.31Å; V12-H223 HydrophobicContact CG2-CB 4.01Å; V12-H223 PolarHBondContact N-O 2.92Å | ||
| 13 | D | 96.1 | Very high | 86.4 | Confident | 133 Ų | 133 | 78.7 Ų | 78.7 | 71% | 0.711 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -52.8 | -44.6 | -169.8 | -75 | -19 | 0 | 0 | 0 | 114.4 | L15 D16 Y17 | D13-L15 VanDerWaalsContact C-N 3.35Å; D13-L15 PolarHBondContact O-N 2.73Å; D13-D16 PolarHBondContact O-N 3.26Å; D13-Y17 WeakPolarHBondContact O-CB 3.48Å; D13-Y17 PolarHBondContact O-N 3.48Å |
| 14 | E | 96.3 | Very high | 88.7 | Confident | 152 Ų | 152 | 74.5 Ų | 74.5 | 71% | 0.71 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.5 | -44.3 | 178.3 | -174.9 | 179.3 | 179.7 | 0 | 0 | 111.2 | V12 Y17 Q18 | V12-E14 VanDerWaalsContact C-N 3.34Å; V12-E14 PolarHBondContact O-N 2.72Å; E14-Y17 WeakPolarHBondContact O-CB 3.48Å; E14-Y17 PolarHBondContact O-N 2.88Å; E14-Q18 WeakPolarHBondContact O-CG 3.28Å; E14-Q18 PolarHBondContact O-N 2.99Å; E14-Q18 VanDerWaalsContact O-N 3.16Å |
| 15 | L | 95.3 | Very high | 90.5 | Very high | 46 Ų | 46 | 68.8 Ų | 68.8 | 24% | 0.241 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68.7 | -40.9 | 179.3 | -168.2 | 63.3 | 0 | 0 | 0 | 111.4 | V12 D13 Y17 Q18 Y19 P220 H223 T224 | V12-L15 HydrophobicContact CB-CB 4.05Å; V12-L15 HydrophobicContact CG1-CB 4.1Å; V12-L15 WeakPolarHBondContact O-CB 3.41Å; V12-L15 PolarHBondContact O-N 3.44Å; D13-L15 VanDerWaalsContact C-N 3.35Å; D13-L15 PolarHBondContact O-N 2.73Å; L15-Y17 VanDerWaalsContact C-N 3.31Å; L15-Y17 PolarHBondContact O-N 3.23Å; L15-Q18 WeakPolarHBondContact O-CB 3.41Å; L15-Q18 PolarHBondContact O-N 3.47Å; L15-Q18 VanDerWaalsContact O-N 3.12Å; L15-Y19 HydrophobicContact CD1-CD2 4.04Å; L15-Y19 HydrophobicContact CD1-CE2 3.67Å; L15-Y19 HydrophobicContact CG-CD2 4.06Å; L15-Y19 HydrophobicContact CG-CE2 4.06Å; L15-Y19 WeakPolarHBondContact O-CD2 3.28Å; L15-Y19 PolarHBondContact O-N 3.46Å; L15-P220 HydrophobicContact CD1-CB 4.25Å; L15-P220 HydrophobicContact CD2-CB 4.03Å; L15-P220 VanDerWaalsContact CD2-O 3.3Å; L15-P220 WeakPolarHBondContact CD2-O 3.18Å; L15-H223 HydrophobicContact CD2-CB 3.88Å; L15-T224 HydrophobicContact CG-CG2 4.3Å |
| 16 | D | 95.7 | Very high | 91.7 | Very high | 12 Ų | 12 | 66.5 Ų | 66.5 | 6% | 0.064 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.2 | -43.5 | 174.9 | -168 | 58 | 0 | 0 | 0 | 111.3 | I11 V12 D13 Q18 Y19 R20 T224 Y225 | I11-D16 HydrophobicContact CG2-CB 3.7Å; V12-D16 WeakPolarHBondContact O-CB 3.34Å; V12-D16 PolarHBondContact O-N 2.8Å; D13-D16 PolarHBondContact O-N 3.26Å; D16-Q18 VanDerWaalsContact C-N 3.27Å; D16-Q18 PolarHBondContact O-N 3.38Å; D16-Y19 PolarHBondContact O-N 3.01Å; D16-R20 VanDerWaalsContact O-CG 3.31Å; D16-R20 WeakPolarHBondContact O-CG 3.43Å; D16-R20 PolarHBondContact O-N 2.8Å; D16-R20 IonicContact OD1-NE 2.73Å; D16-R20 IonicContact OD1-NH2 2.74Å; D16-R20 IonicContact OD2-CZ 3.04Å; D16-R20 IonicContact OD2-NE 3.84Å; D16-R20 PolarHBondContact OD2-NE 2.94Å; D16-R20 IonicContact OD2-NH2 3.7Å; D16-R20 PolarHBondContact OD2-NH2 3.29Å; D16-T224 WeakPolarHBondContact OD1-CA 3.45Å; D16-Y225 WeakPolarHBondContact OD1-CB 3.38Å; D16-Y225 VanDerWaalsContact OD1-CD1 3.31Å; D16-Y225 WeakPolarHBondContact OD1-CD1 3.15Å; D16-Y225 PolarHBondContact OD1-N 2.92Å |
| 17 | Y | 95.1 | Very high | 92 | Very high | 120 Ų | 120 | 66.4 Ų | 66.4 | 47% | 0.471 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.1 | -37.2 | 174.8 | -174.9 | -88.6 | 0 | 0 | 0 | 112.5 | D13 E14 L15 N23 W24 | D13-Y17 WeakPolarHBondContact O-CB 3.48Å; D13-Y17 PolarHBondContact O-N 3.48Å; E14-Y17 WeakPolarHBondContact O-CB 3.48Å; E14-Y17 PolarHBondContact O-N 2.88Å; L15-Y17 VanDerWaalsContact C-N 3.31Å; L15-Y17 PolarHBondContact O-N 3.23Å; Y17-N23 WeakPolarHBondContact CD2-ND2 3.5Å; Y17-N23 HydrophobicContact CE1-CB 4.44Å; Y17-N23 HydrophobicContact CE2-CB 4.09Å; Y17-N23 VanDerWaalsContact CE2-ND2 3.32Å; Y17-N23 WeakPolarHBondContact CE2-ND2 3.34Å; Y17-N23 PolarHBondContact O-ND2 2.83Å; Y17-W24 AromaticContact CD1-CZ2 3.87Å; Y17-W24 HydrophobicContact CD1-CZ2 3.87Å; Y17-W24 AromaticContact CE1-CE2 3.91Å; Y17-W24 HydrophobicContact CE1-CH2 4.37Å; Y17-W24 AromaticContact CE1-CZ2 3.59Å; Y17-W24 HydrophobicContact CE1-CZ2 3.59Å; Y17-W24 PolarHBondContact O-NE1 3.13Å; Y17-W24 VanDerWaalsContact O-NE1 3.1Å |
| 18 | Q | 96.6 | Very high | 90.8 | Very high | 32 Ų | 32 | 69.6 Ų | 69.6 | 15% | 0.15 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -69.7 | -36.6 | 177.4 | -63.6 | -77 | -34.1 | 0 | 0 | 112.5 | E14 L15 D16 S271 A273 | E14-Q18 WeakPolarHBondContact O-CG 3.28Å; E14-Q18 PolarHBondContact O-N 2.99Å; E14-Q18 VanDerWaalsContact O-N 3.16Å; L15-Q18 WeakPolarHBondContact O-CB 3.41Å; L15-Q18 PolarHBondContact O-N 3.47Å; L15-Q18 VanDerWaalsContact O-N 3.12Å; D16-Q18 VanDerWaalsContact C-N 3.27Å; D16-Q18 PolarHBondContact O-N 3.38Å; Q18-S271 WeakPolarHBondContact O-CB 3.49Å; Q18-S271 PolarHBondContact O-OG 3.15Å; Q18-A273 HydrophobicContact CB-CB 3.64Å; Q18-A273 HydrophobicContact CG-CB 4.41Å |
| 19 | Y | 96.1 | Very high | 89.1 | Confident | 7 Ų | 7 | 70.5 Ų | 70.5 | 3% | 0.027 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -89.8 | -1.9 | 178.7 | -75.5 | -76.3 | 0 | 0 | 0 | 114.2 | L15 D16 T21 Y105 P220 I221 T224 A273 M274 Q277 | L15-Y19 HydrophobicContact CD1-CD2 4.04Å; L15-Y19 HydrophobicContact CD1-CE2 3.67Å; L15-Y19 HydrophobicContact CG-CD2 4.06Å; L15-Y19 HydrophobicContact CG-CE2 4.06Å; L15-Y19 WeakPolarHBondContact O-CD2 3.28Å; L15-Y19 PolarHBondContact O-N 3.46Å; D16-Y19 PolarHBondContact O-N 3.01Å; Y19-T21 PolarHBondContact O-N 3.43Å; Y19-T21 VanDerWaalsContact O-N 3.16Å; Y19-Y105 VanDerWaalsContact O-CE2 3.31Å; Y19-Y105 WeakPolarHBondContact O-CE2 3.34Å; Y19-Y105 PolarHBondContact O-OH 3.44Å; Y19-P220 HydrophobicContact CE2-CB 3.71Å; Y19-I221 HydrophobicContact CD1-CD1 3.49Å; Y19-I221 VanDerWaalsContact CD1-CD1 3.49Å; Y19-I221 HydrophobicContact CD2-CD1 4.35Å; Y19-I221 HydrophobicContact CE1-CD1 3.57Å; Y19-I221 HydrophobicContact CE2-CD1 4.42Å; Y19-I221 HydrophobicContact CG-CD1 3.91Å; Y19-T224 HydrophobicContact CD2-CG2 3.72Å; Y19-T224 HydrophobicContact CG-CG2 4.13Å; Y19-A273 HydrophobicContact CD2-CB 4.43Å; Y19-A273 HydrophobicContact CE1-CB 4.38Å; Y19-A273 HydrophobicContact CE2-CB 3.95Å; Y19-M274 HydrophobicContact CD1-SD 3.95Å; Y19-M274 HydrophobicContact CE1-SD 4.08Å; Y19-Q277 PolarHBondContact OH-NE2 3.29Å |
| 20 | R | 93.4 | Very high | 86.9 | Confident | 75 Ų | 75 | 77 Ų | 77 | 28% | 0.283 | 37% | 0.372 | S | S | . | . | trans | -81.9 | 85.5 | 164.7 | -76.1 | 175.7 | -168.9 | -78.3 | -4.2 | 109.9 | D16 A22 N23 Y225 | D16-R20 VanDerWaalsContact O-CG 3.31Å; D16-R20 WeakPolarHBondContact O-CG 3.43Å; D16-R20 PolarHBondContact O-N 2.8Å; D16-R20 IonicContact OD1-NE 2.73Å; D16-R20 IonicContact OD1-NH2 2.74Å; D16-R20 IonicContact OD2-CZ 3.04Å; D16-R20 IonicContact OD2-NE 3.84Å; D16-R20 PolarHBondContact OD2-NE 2.94Å; D16-R20 IonicContact OD2-NH2 3.7Å; D16-R20 PolarHBondContact OD2-NH2 3.29Å; R20-A22 PolarHBondContact O-N 3.43Å; R20-N23 HydrophobicContact CB-CB 4.47Å; R20-N23 WeakPolarHBondContact CB-ND2 3.3Å; R20-N23 VanDerWaalsContact O-CB 3.28Å; R20-N23 WeakPolarHBondContact O-CB 3.44Å; R20-N23 PolarHBondContact O-N 3.45Å; R20-Y225 HydrophobicContact CG-CD1 3.8Å; R20-Y225 HydrophobicContact CG-CE1 3.55Å | ||
| 21 | T | 91.6 | Very high | 84.8 | Confident | 8 Ų | 8 | 74.4 Ų | 74.4 | 5% | 0.049 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -50.8 | -35.1 | -180 | 52.3 | 0 | 0 | 0 | 0 | 113.8 | Y19 N23 W24 Y105 M274 H312 | Y19-T21 PolarHBondContact O-N 3.43Å; Y19-T21 VanDerWaalsContact O-N 3.16Å; T21-N23 PolarHBondContact O-N 3.26Å; T21-N23 VanDerWaalsContact O-N 3.15Å; T21-W24 PolarHBondContact O-N 3.03Å; T21-Y105 HydrophobicContact CG2-CE2 4.21Å; T21-M274 HydrophobicContact CG2-CG 4.36Å; T21-H312 HydrophobicContact CG2-CB 4.38Å |
| 22 | A | 89.4 | Confident | 82.9 | Confident | 27 Ų | 27 | 73.5 Ų | 73.5 | 22% | 0.223 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -59.5 | -22.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | R20 W24 L25 F313 | R20-A22 PolarHBondContact O-N 3.43Å; A22-W24 PolarHBondContact O-N 3.08Å; A22-L25 HydrophobicContact CB-CD1 4.45Å; A22-F313 HydrophobicContact CB-CE2 4.46Å |
| 23 | N | 89.6 | Confident | 80.7 | Confident | 61 Ų | 61 | 73 Ų | 73 | 33% | 0.326 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -72.9 | -15.4 | 177.6 | -66.1 | -8.1 | 0 | 0 | 0 | 113 | Y17 R20 T21 | Y17-N23 WeakPolarHBondContact CD2-ND2 3.5Å; Y17-N23 HydrophobicContact CE1-CB 4.44Å; Y17-N23 HydrophobicContact CE2-CB 4.09Å; Y17-N23 VanDerWaalsContact CE2-ND2 3.32Å; Y17-N23 WeakPolarHBondContact CE2-ND2 3.34Å; Y17-N23 PolarHBondContact O-ND2 2.83Å; R20-N23 HydrophobicContact CB-CB 4.47Å; R20-N23 WeakPolarHBondContact CB-ND2 3.3Å; R20-N23 VanDerWaalsContact O-CB 3.28Å; R20-N23 WeakPolarHBondContact O-CB 3.44Å; R20-N23 PolarHBondContact O-N 3.45Å; T21-N23 PolarHBondContact O-N 3.26Å; T21-N23 VanDerWaalsContact O-N 3.15Å |
| 24 | W | 91.5 | Very high | 78.8 | Confident | 70 Ų | 70 | 67.6 Ų | 67.6 | 27% | 0.265 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -113.6 | 8.2 | -168.7 | -61.2 | 86.2 | 0 | 0 | 0 | 113.3 | Y17 T21 A22 P272 | Y17-W24 AromaticContact CD1-CZ2 3.87Å; Y17-W24 HydrophobicContact CD1-CZ2 3.87Å; Y17-W24 AromaticContact CE1-CE2 3.91Å; Y17-W24 HydrophobicContact CE1-CH2 4.37Å; Y17-W24 AromaticContact CE1-CZ2 3.59Å; Y17-W24 HydrophobicContact CE1-CZ2 3.59Å; Y17-W24 PolarHBondContact O-NE1 3.13Å; Y17-W24 VanDerWaalsContact O-NE1 3.1Å; T21-W24 PolarHBondContact O-N 3.03Å; A22-W24 PolarHBondContact O-N 3.08Å; W24-P272 VanDerWaalsContact CH2-CD 3.41Å; W24-P272 HydrophobicContact CH2-CG 4.26Å |
| 25 | L | 88.6 | Confident | 76.8 | Confident | 27 Ų | 27 | 62.6 Ų | 62.6 | 14% | 0.141 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -72.2 | 152.7 | -177.5 | -53.2 | 178.3 | 0 | 0 | 0 | 112.3 | A22 K27 V38 D311 H312 F313 | A22-L25 HydrophobicContact CB-CD1 4.45Å; L25-K27 PolarHBondContact O-N 3.23Å; L25-V38 HydrophobicContact CD1-CG1 3.21Å; L25-D311 WeakPolarHBondContact CA-OD2 3.23Å; L25-D311 HydrophobicContact CD2-CB 4.05Å; L25-D311 WeakPolarHBondContact CD2-OD1 3.43Å; L25-H312 HydrophobicContact CD2-CB 4.47Å; L25-F313 HydrophobicContact CD1-CD2 3.4Å; L25-F313 HydrophobicContact CD1-CE2 3.63Å; L25-F313 HydrophobicContact CD1-CG 4.38Å; L25-F313 HydrophobicContact CD2-CB 4.17Å; L25-F313 HydrophobicContact CD2-CD1 4.47Å; L25-F313 HydrophobicContact CD2-CD2 3.63Å; L25-F313 HydrophobicContact CD2-CE2 4.11Å; L25-F313 HydrophobicContact CD2-CG 3.83Å; L25-F313 HydrophobicContact CG-CD2 4.17Å; L25-F313 HydrophobicContact CG-CE2 4.44Å |
| 26 | I | 85.1 | Confident | 75.1 | Confident | 17 Ų | 17 | 69 Ų | 69 | 9% | 0.087 | 36% | 0.358 | C | S | . | . | trans | -67.9 | 115 | 176 | -60.3 | 161.5 | 0 | 0 | 0 | 108.4 | T28 R29 Y269 N309 D311 | I26-T28 VanDerWaalsContact C-N 3.28Å; I26-T28 PolarHBondContact O-N 2.72Å; I26-R29 HydrophobicContact CG2-CB 3.96Å; I26-Y269 HydrophobicContact CD1-CD2 3.47Å; I26-Y269 VanDerWaalsContact CD1-CD2 3.47Å; I26-Y269 HydrophobicContact CD1-CE2 3.95Å; I26-Y269 HydrophobicContact CD1-CG 4.12Å; I26-Y269 HydrophobicContact CG1-CD1 4.2Å; I26-Y269 HydrophobicContact CG1-CD2 3.35Å; I26-Y269 HydrophobicContact CG1-CE2 3.89Å; I26-Y269 HydrophobicContact CG1-CG 3.51Å; I26-N309 WeakPolarHBondContact CD1-O 3.38Å; I26-D311 HydrophobicContact CD1-CB 4.28Å; I26-D311 HydrophobicContact CG1-CB 4.13Å; I26-D311 PolarHBondContact N-OD2 3.41Å | ||
| 27 | K | 71.5 | Confident | 74.4 | Confident | 187 Ų | 187 | 73.1 Ų | 73.1 | 81% | 0.813 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -10.5 | -177.4 | -63.3 | -172.2 | 178.9 | -176.2 | 0 | 114.6 | L25 | L25-K27 PolarHBondContact O-N 3.23Š|
| 28 | T | 58.8 | Low | 73.8 | Confident | 127 Ų | 127 | 68.8 Ų | 68.8 | 78% | 0.779 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.3 | 1.9 | -168.2 | 51.7 | 0 | 0 | 0 | 0 | 114.5 | I26 E30 | I26-T28 VanDerWaalsContact C-N 3.28Å; I26-T28 PolarHBondContact O-N 2.72Å; T28-E30 PolarHBondContact O-N 2.69Å |
| 29 | R | 56.7 | Low | 73.1 | Confident | 63 Ų | 63 | 70.8 Ų | 70.8 | 24% | 0.238 | 37% | 0.372 | C | S | . | . | trans | -93.5 | 91.8 | -176.1 | -162.7 | 180 | -178.8 | -177.2 | 1.9 | 110.7 | I26 F32 C33 E310 T314 | I26-R29 HydrophobicContact CG2-CB 3.96Å; R29-F32 HydrophobicContact CG-CD2 4.46Å; R29-F32 CarbonylContact O-C 3.54Å; R29-F32 VanDerWaalsContact O-C 3.22Å; R29-F32 WeakPolarHBondContact O-CA 3.44Å; R29-F32 PolarHBondContact O-N 2.67Å; R29-C33 VanDerWaalsContact C-SG 3.6Å; R29-C33 PolarHBondContact O-N 3.19Å; R29-C33 VanDerWaalsContact O-N 3.14Å; R29-E310 IonicContact CZ-OE1 3.16Å; R29-E310 IonicContact NH1-OE1 3.32Å; R29-E310 PolarHBondContact NH1-OE1 3.04Å; R29-E310 IonicContact NH1-OE2 3.57Å; R29-E310 PolarHBondContact NH1-OE2 3.34Å; R29-E310 IonicContact NH2-OE1 2.69Å; R29-E310 PolarHBondContact NH2-OE1 2.99Å; R29-T314 PolarHBondContact NH1-OG1 3.02Å | ||
| 30 | E | 49.5 | Very low | 72.7 | Confident | 167 Ų | 167 | 71.8 Ų | 71.8 | 78% | 0.78 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 146 | 157.7 | -75 | -160.9 | 178.8 | 0 | 0 | 110.2 | T28 F32 | T28-E30 PolarHBondContact O-N 2.69Å; E30-F32 VanDerWaalsContact C-N 3.34Å |
| 31 | P | 51.5 | Low | 72.4 | Confident | 112 Ų | 112 | 72.4 Ų | 72.4 | 73% | 0.727 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -87 | 9.6 | 2 | 34.8 | -33.7 | 0 | 0 | 0 | 114.1 | C33 | P31-C33 VanDerWaalsContact C-N 3.35Å; P31-C33 PolarHBondContact O-N 3.14Å |
| 32 | F | 55.8 | Low | 72.4 | Confident | 30 Ų | 30 | 72.6 Ų | 72.6 | 13% | 0.132 | 39% | 0.391 | C | S | . | . | trans | -93.2 | 22.8 | -175.5 | -50.6 | -66.1 | 0 | 0 | 0 | 114 | R29 E30 L34 L45 T314 L317 | R29-F32 HydrophobicContact CG-CD2 4.46Å; R29-F32 CarbonylContact O-C 3.54Å; R29-F32 VanDerWaalsContact O-C 3.22Å; R29-F32 WeakPolarHBondContact O-CA 3.44Å; R29-F32 PolarHBondContact O-N 2.67Å; E30-F32 VanDerWaalsContact C-N 3.34Å; F32-L34 VanDerWaalsContact C-N 3.28Å; F32-L34 WeakPolarHBondContact O-CG 3.31Å; F32-L34 PolarHBondContact O-N 3.19Å; F32-L45 HydrophobicContact CD1-CD2 3.99Å; F32-L45 HydrophobicContact CE1-CD2 3.79Å; F32-T314 HydrophobicContact CB-CG2 4.26Å; F32-T314 HydrophobicContact CD2-CG2 4.39Å; F32-L317 HydrophobicContact CD1-CD1 3.57Å; F32-L317 HydrophobicContact CE1-CB 4.11Å; F32-L317 HydrophobicContact CE1-CD1 3.89Å; F32-L317 HydrophobicContact CG-CD1 4.24Å; F32-L317 HydrophobicContact CZ-CB 4.4Å | ||
| 33 | C | 50.4 | Low | 72.6 | Confident | 60 Ų | 60 | 73.5 Ų | 73.5 | 41% | 0.405 | 39% | 0.392 | S | S | . | . | trans | -71 | 86.2 | 169.1 | -71.1 | 0 | 0 | 0 | 0 | 108.6 | R29 P31 G35 | R29-C33 VanDerWaalsContact C-SG 3.6Å; R29-C33 PolarHBondContact O-N 3.19Å; R29-C33 VanDerWaalsContact O-N 3.14Å; P31-C33 VanDerWaalsContact C-N 3.35Å; P31-C33 PolarHBondContact O-N 3.14Å; C33-G35 PolarHBondContact O-N 3.33Å | ||
| 34 | L | 55.6 | Low | 72.8 | Confident | 20 Ų | 20 | 74.5 Ų | 74.5 | 11% | 0.105 | 40% | 0.404 | C | S | . | . | trans | -74.4 | 23.3 | -166.3 | -63.2 | 163.3 | 0 | 0 | 0 | 115.5 | F32 D37 V38 Q41 L42 F313 | F32-L34 VanDerWaalsContact C-N 3.28Å; F32-L34 WeakPolarHBondContact O-CG 3.31Å; F32-L34 PolarHBondContact O-N 3.19Å; L34-D37 CarbonylContact O-C 3.59Å; L34-V38 HydrophobicContact CB-CB 4.06Å; L34-V38 HydrophobicContact CB-CG1 3.9Å; L34-V38 HydrophobicContact CB-CG2 4.15Å; L34-V38 HydrophobicContact CD1-CG1 3.74Å; L34-V38 HydrophobicContact CG-CG1 4.47Å; L34-V38 WeakPolarHBondContact O-CA 3.48Å; L34-V38 PolarHBondContact O-N 3.02Å; L34-Q41 VanDerWaalsContact C-CD 3.47Å; L34-Q41 HydrophobicContact CB-CB 4.14Å; L34-Q41 HydrophobicContact CD2-CB 3.46Å; L34-Q41 VanDerWaalsContact CD2-CB 3.46Å; L34-Q41 HydrophobicContact CG-CB 4.37Å; L34-Q41 PolarHBondContact O-NE2 3.35Å; L34-Q41 VanDerWaalsContact O-NE2 3.14Å; L34-Q41 PolarHBondContact O-OE1 3.17Å; L34-L42 HydrophobicContact CD1-CB 4.19Å; L34-F313 HydrophobicContact CD1-CD2 4.26Å | ||
| 35 | G | 54.9 | Low | 73 | Confident | 47 Ų | 47 | 73.4 Ų | 73.4 | 49% | 0.485 | 40% | 0.403 | S | S | . | . | trans | 53.4 | -153 | 178 | 0 | 0 | 0 | 0 | 0 | 114.5 | C33 V38 | C33-G35 PolarHBondContact O-N 3.33Å; G35-V38 WeakPolarHBondContact O-CG2 3.45Å | ||
| 36 | D | 60 | Low | 73.4 | Confident | 179 Ų | 179 | 72.2 Ų | 72.2 | 96% | 0.957 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -77.3 | -33 | 179.2 | -66.7 | -30.1 | 0 | 0 | 0 | 112.8 | V38 | D36-V38 PolarHBondContact O-N 3.36Š|
| 37 | D | 80.4 | Confident | 74 | Confident | 99 Ų | 99 | 77.2 Ų | 77.2 | 53% | 0.529 | 41% | 0.414 | S | S | . | . | trans | -96.9 | 64.9 | 174.9 | -177.2 | 20.8 | 0 | 0 | 0 | 111.6 | L34 R39 G40 Q41 | L34-D37 CarbonylContact O-C 3.59Å; D37-R39 PolarHBondContact O-N 3.09Å; D37-G40 PolarHBondContact O-N 3.41Å; D37-G40 PolarHBondContact OD1-N 2.99Å; D37-G40 WeakPolarHBondContact OD2-CA 3.37Å; D37-Q41 WeakPolarHBondContact O-CG 3.46Å; D37-Q41 PolarHBondContact O-N 3.3Å; D37-Q41 VanDerWaalsContact O-N 3.09Å | ||
| 38 | V | 82.5 | Confident | 75.2 | Confident | 30 Ų | 30 | 75.5 Ų | 75.5 | 18% | 0.182 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -54.1 | -43 | -177.4 | 174.3 | 0 | 0 | 0 | 0 | 112.1 | L25 L34 G35 D36 L42 F313 | L25-V38 HydrophobicContact CD1-CG1 3.21Å; L34-V38 HydrophobicContact CB-CB 4.06Å; L34-V38 HydrophobicContact CB-CG1 3.9Å; L34-V38 HydrophobicContact CB-CG2 4.15Å; L34-V38 HydrophobicContact CD1-CG1 3.74Å; L34-V38 HydrophobicContact CG-CG1 4.47Å; L34-V38 WeakPolarHBondContact O-CA 3.48Å; L34-V38 PolarHBondContact O-N 3.02Å; G35-V38 WeakPolarHBondContact O-CG2 3.45Å; D36-V38 PolarHBondContact O-N 3.36Å; V38-L42 WeakPolarHBondContact O-CB 3.48Å; V38-L42 PolarHBondContact O-N 2.74Å; V38-F313 HydrophobicContact CG1-CD2 4.02Å; V38-F313 HydrophobicContact CG1-CE2 3.74Å |
| 39 | R | 82.7 | Confident | 77.1 | Confident | 74 Ų | 74 | 70 Ų | 70 | 28% | 0.279 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -72.4 | -44.3 | -175.3 | -68.3 | -179.6 | -177 | -177.8 | -3.8 | 111.6 | D37 Q41 L42 L43 Y225 | D37-R39 PolarHBondContact O-N 3.09Å; R39-Q41 VanDerWaalsContact C-N 3.31Å; R39-Q41 PolarHBondContact O-N 3.36Å; R39-L42 PolarHBondContact O-N 2.73Å; R39-L43 WeakPolarHBondContact O-CG 3.36Å; R39-L43 PolarHBondContact O-N 2.82Å; R39-Y225 PolarHBondContact NH2-OH 3.24Å |
| 40 | G | 87.6 | Confident | 79.1 | Confident | 28 Ų | 28 | 67 Ų | 67 | 29% | 0.289 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.5 | -41.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | D37 L43 S44 | D37-G40 PolarHBondContact O-N 3.41Å; D37-G40 PolarHBondContact OD1-N 2.99Å; D37-G40 WeakPolarHBondContact OD2-CA 3.37Å; G40-L43 PolarHBondContact O-N 3.48Å; G40-S44 WeakPolarHBondContact O-CB 3.22Å; G40-S44 PolarHBondContact O-N 3.22Å |
| 41 | Q | 87.3 | Confident | 81.4 | Confident | 87 Ų | 87 | 63.9 Ų | 63.9 | 41% | 0.407 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.6 | -41.7 | 176.4 | -66.7 | -172.2 | 24.3 | 0 | 0 | 112.7 | L34 D37 R39 L43 S44 L45 | L34-Q41 VanDerWaalsContact C-CD 3.47Å; L34-Q41 HydrophobicContact CB-CB 4.14Å; L34-Q41 HydrophobicContact CD2-CB 3.46Å; L34-Q41 VanDerWaalsContact CD2-CB 3.46Å; L34-Q41 HydrophobicContact CG-CB 4.37Å; L34-Q41 PolarHBondContact O-NE2 3.35Å; L34-Q41 VanDerWaalsContact O-NE2 3.14Å; L34-Q41 PolarHBondContact O-OE1 3.17Å; D37-Q41 WeakPolarHBondContact O-CG 3.46Å; D37-Q41 PolarHBondContact O-N 3.3Å; D37-Q41 VanDerWaalsContact O-N 3.09Å; R39-Q41 VanDerWaalsContact C-N 3.31Å; R39-Q41 PolarHBondContact O-N 3.36Å; Q41-L43 PolarHBondContact O-N 2.9Å; Q41-S44 PolarHBondContact O-N 2.85Å; Q41-L45 PolarHBondContact O-N 2.85Å |
| 42 | L | 90.7 | Very high | 83.7 | Confident | 12 Ų | 12 | 63 Ų | 63 | 6% | 0.063 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -56.9 | -51.2 | 173.8 | 174.2 | 66.9 | 0 | 0 | 0 | 111.3 | L34 V38 R39 S44 L45 L46 F313 L317 | L34-L42 HydrophobicContact CD1-CB 4.19Å; V38-L42 WeakPolarHBondContact O-CB 3.48Å; V38-L42 PolarHBondContact O-N 2.74Å; R39-L42 PolarHBondContact O-N 2.73Å; L42-S44 VanDerWaalsContact C-N 3.32Å; L42-S44 PolarHBondContact O-N 3.46Å; L42-L45 PolarHBondContact O-N 3.49Å; L42-L46 HydrophobicContact CD1-CD1 3.96Å; L42-L46 HydrophobicContact CD1-CG 4.13Å; L42-L46 HydrophobicContact CG-CD1 3.91Å; L42-L46 HydrophobicContact CG-CG 4.44Å; L42-L46 WeakPolarHBondContact O-CG 3.18Å; L42-L46 PolarHBondContact O-N 2.7Å; L42-F313 HydrophobicContact CD1-CB 4.11Å; L42-F313 HydrophobicContact CD1-CG 4.33Å; L42-F313 HydrophobicContact CD2-CB 4.29Å; L42-F313 HydrophobicContact CD2-CD1 3.6Å; L42-F313 HydrophobicContact CD2-CD2 3.71Å; L42-F313 HydrophobicContact CD2-CE1 3.73Å; L42-F313 HydrophobicContact CD2-CE2 3.84Å; L42-F313 HydrophobicContact CD2-CG 3.61Å; L42-F313 HydrophobicContact CD2-CZ 3.86Å; L42-L317 HydrophobicContact CD1-CD1 3.85Å; L42-L317 HydrophobicContact CD1-CD2 3.89Å; L42-L317 HydrophobicContact CD1-CG 3.84Å |
| 43 | L | 93.3 | Very high | 85.7 | Confident | 47 Ų | 47 | 61.5 Ų | 61.5 | 25% | 0.246 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.1 | -41.5 | -178.9 | -68.6 | 173.5 | 0 | 0 | 0 | 111.5 | R39 G40 Q41 L45 L46 R47 V109 E113 | R39-L43 WeakPolarHBondContact O-CG 3.36Å; R39-L43 PolarHBondContact O-N 2.82Å; G40-L43 PolarHBondContact O-N 3.48Å; Q41-L43 PolarHBondContact O-N 2.9Å; L43-L45 PolarHBondContact O-N 3.34Å; L43-L46 PolarHBondContact O-N 2.65Å; L43-R47 VanDerWaalsContact O-CB 3.29Å; L43-R47 WeakPolarHBondContact O-CB 3.5Å; L43-R47 PolarHBondContact O-N 3.24Å; L43-V109 HydrophobicContact CD2-CB 4.49Å; L43-V109 HydrophobicContact CD2-CG2 3.79Å; L43-E113 HydrophobicContact CD2-CG 4.07Å |
| 44 | S | 95 | Very high | 88 | Confident | 81 Ų | 81 | 59.8 Ų | 59.8 | 57% | 0.566 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -59.1 | -45.7 | 175.9 | -177.4 | 0 | 0 | 0 | 0 | 111.8 | G40 Q41 L42 R47 K48 | G40-S44 WeakPolarHBondContact O-CB 3.22Å; G40-S44 PolarHBondContact O-N 3.22Å; Q41-S44 PolarHBondContact O-N 2.85Å; L42-S44 VanDerWaalsContact C-N 3.32Å; L42-S44 PolarHBondContact O-N 3.46Å; S44-R47 PolarHBondContact O-N 3.49Å; S44-K48 PolarHBondContact O-N 3.32Å |
| 45 | L | 94.8 | Very high | 90 | Very high | 47 Ų | 47 | 63 Ų | 63 | 25% | 0.246 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.5 | -46 | 179.5 | -177.2 | 57.7 | 0 | 0 | 0 | 112.2 | F32 Q41 L42 L43 R47 K48 Q49 L317 | F32-L45 HydrophobicContact CD1-CD2 3.99Å; F32-L45 HydrophobicContact CE1-CD2 3.79Å; Q41-L45 PolarHBondContact O-N 2.85Å; L42-L45 PolarHBondContact O-N 3.49Å; L43-L45 PolarHBondContact O-N 3.34Å; L45-R47 VanDerWaalsContact C-N 3.28Å; L45-R47 PolarHBondContact O-N 2.48Å; L45-K48 PolarHBondContact O-N 3.43Å; L45-Q49 HydrophobicContact CD1-CG 4.37Å; L45-Q49 WeakPolarHBondContact O-CG 3.42Å; L45-Q49 PolarHBondContact O-N 3.12Å; L45-L317 HydrophobicContact CB-CD2 4.28Å; L45-L317 HydrophobicContact CD2-CD1 3.87Å; L45-L317 HydrophobicContact CD2-CD2 3.51Å; L45-L317 HydrophobicContact CD2-CG 4.26Å; L45-L317 HydrophobicContact CG-CD2 3.79Å |
| 46 | L | 96.9 | Very high | 92.1 | Very high | 2 Ų | 2 | 66.2 Ų | 66.2 | 1% | 0.01 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.4 | -38.9 | 176.5 | -71.6 | 172.4 | 0 | 0 | 0 | 112 | L42 L43 Q49 S50 E113 N116 L316 L317 | L42-L46 HydrophobicContact CD1-CD1 3.96Å; L42-L46 HydrophobicContact CD1-CG 4.13Å; L42-L46 HydrophobicContact CG-CD1 3.91Å; L42-L46 HydrophobicContact CG-CG 4.44Å; L42-L46 WeakPolarHBondContact O-CG 3.18Å; L42-L46 PolarHBondContact O-N 2.7Å; L43-L46 PolarHBondContact O-N 2.65Å; L46-Q49 PolarHBondContact O-N 2.7Å; L46-S50 VanDerWaalsContact O-CB 3.3Å; L46-S50 WeakPolarHBondContact O-CB 3.32Å; L46-S50 PolarHBondContact O-N 3.33Å; L46-S50 PolarHBondContact O-OG 3.01Å; L46-E113 HydrophobicContact CB-CB 3.76Å; L46-E113 HydrophobicContact CB-CG 4.17Å; L46-E113 HydrophobicContact CD1-CB 4.45Å; L46-N116 HydrophobicContact CD2-CB 4.01Å; L46-L316 HydrophobicContact CD1-CD2 3.85Å; L46-L316 HydrophobicContact CD2-CD2 3.92Å; L46-L316 HydrophobicContact CD2-CG 4.06Å; L46-L317 HydrophobicContact CD2-CD2 3.82Å; L46-L317 HydrophobicContact CG-CD2 4.1Å |
| 47 | R | 97.6 | Very high | 93.9 | Very high | 123 Ų | 123 | 58.1 Ų | 58.1 | 46% | 0.464 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.5 | -49.4 | 175.1 | -176.2 | 173.1 | -66.7 | -155.8 | 0.3 | 111.4 | L43 S44 L45 Q49 S50 E51 E113 | L43-R47 VanDerWaalsContact O-CB 3.29Å; L43-R47 WeakPolarHBondContact O-CB 3.5Å; L43-R47 PolarHBondContact O-N 3.24Å; S44-R47 PolarHBondContact O-N 3.49Å; L45-R47 VanDerWaalsContact C-N 3.28Å; L45-R47 PolarHBondContact O-N 2.48Å; R47-Q49 VanDerWaalsContact C-N 3.33Å; R47-Q49 PolarHBondContact O-N 3.2Å; R47-S50 WeakPolarHBondContact O-CB 3.22Å; R47-S50 PolarHBondContact O-N 3.38Å; R47-S50 VanDerWaalsContact O-N 3.13Å; R47-E51 HydrophobicContact CG-CG 4.43Å; R47-E51 WeakPolarHBondContact CG-OE1 3.28Å; R47-E51 WeakPolarHBondContact O-CB 3.46Å; R47-E51 WeakPolarHBondContact O-CG 3.17Å; R47-E51 PolarHBondContact O-N 3.42Å; R47-E113 HydrophobicContact CB-CG 4.23Å; R47-E113 IonicContact CZ-OE1 3.28Å; R47-E113 IonicContact NE-OE1 3.78Å; R47-E113 PolarHBondContact NE-OE1 3.15Å; R47-E113 IonicContact NH2-OE1 3.3Å; R47-E113 PolarHBondContact NH2-OE1 2.98Å |
| 48 | K | 98.1 | Very high | 94.6 | Very high | 151 Ų | 151 | 60.2 Ų | 60.2 | 66% | 0.657 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -58 | -44.5 | 177.2 | -175.4 | -178.3 | 178 | -176.2 | 0 | 112 | S44 L45 S50 E51 F52 | S44-K48 PolarHBondContact O-N 3.32Å; L45-K48 PolarHBondContact O-N 3.43Å; K48-S50 VanDerWaalsContact C-N 3.35Å; K48-E51 PolarHBondContact O-N 2.81Å; K48-F52 WeakPolarHBondContact O-CB 3.4Å; K48-F52 PolarHBondContact O-N 3.16Å |
| 49 | Q | 98 | Very high | 95.2 | Very high | 11 Ų | 11 | 65.4 Ų | 65.4 | 5% | 0.051 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.3 | -39 | 176.9 | -71.3 | 176.2 | -19.9 | 0 | 0 | 111.9 | L45 L46 R47 F52 S53 N116 H320 | L45-Q49 HydrophobicContact CD1-CG 4.37Å; L45-Q49 WeakPolarHBondContact O-CG 3.42Å; L45-Q49 PolarHBondContact O-N 3.12Å; L46-Q49 PolarHBondContact O-N 2.7Å; R47-Q49 VanDerWaalsContact C-N 3.33Å; R47-Q49 PolarHBondContact O-N 3.2Å; Q49-F52 WeakPolarHBondContact O-CB 3.26Å; Q49-F52 PolarHBondContact O-N 2.98Å; Q49-S53 PolarHBondContact O-N 2.8Å; Q49-S53 PolarHBondContact O-OG 2.9Å; Q49-N116 HydrophobicContact CB-CB 3.59Å; Q49-H320 HydrophobicContact CG-CB 4.15Å |
| 50 | S | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -69.3 | -41.3 | 177.8 | -61.7 | 0 | 0 | 0 | 0 | 112.5 | L46 R47 K48 F52 S53 R54 G112 E113 S114 S115 N116 | L46-S50 VanDerWaalsContact O-CB 3.3Å; L46-S50 WeakPolarHBondContact O-CB 3.32Å; L46-S50 PolarHBondContact O-N 3.33Å; L46-S50 PolarHBondContact O-OG 3.01Å; R47-S50 WeakPolarHBondContact O-CB 3.22Å; R47-S50 PolarHBondContact O-N 3.38Å; R47-S50 VanDerWaalsContact O-N 3.13Å; K48-S50 VanDerWaalsContact C-N 3.35Å; S50-F52 VanDerWaalsContact C-N 3.32Å; S50-S53 PolarHBondContact O-N 3.24Å; S50-R54 WeakPolarHBondContact O-CG 3.3Å; S50-R54 PolarHBondContact O-N 3.06Å; S50-G112 WeakPolarHBondContact CB-O 3.46Å; S50-G112 PolarHBondContact OG-O 3.45Å; S50-E113 PolarHBondContact OG-O 2.9Å; S50-S114 PolarHBondContact OG-N 3.08Å; S50-S115 PolarHBondContact OG-N 3.49Å; S50-N116 PolarHBondContact OG-N 2.98Å |
| 51 | E | 98.5 | Very high | 96.3 | Very high | 101 Ų | 101 | 65.4 Ų | 65.4 | 47% | 0.472 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.5 | -39.6 | 172.9 | -73.7 | 171.8 | -177.5 | 0 | 0 | 111.7 | R47 K48 R54 T55 | R47-E51 HydrophobicContact CG-CG 4.43Å; R47-E51 WeakPolarHBondContact CG-OE1 3.28Å; R47-E51 WeakPolarHBondContact O-CB 3.46Å; R47-E51 WeakPolarHBondContact O-CG 3.17Å; R47-E51 PolarHBondContact O-N 3.42Å; K48-E51 PolarHBondContact O-N 2.81Å; E51-R54 PolarHBondContact O-N 3.12Å; E51-T55 WeakPolarHBondContact O-CB 3.28Å; E51-T55 PolarHBondContact O-N 2.96Å; E51-T55 PolarHBondContact O-OG1 2.71Å |
| 52 | F | 98.5 | Very high | 96.8 | Very high | 93 Ų | 93 | 63.6 Ų | 63.6 | 41% | 0.408 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -57.7 | -51.5 | 171.8 | 172.6 | -93.2 | 0 | 0 | 0 | 111.3 | K48 Q49 S50 R54 T55 Q56 V119 H320 | K48-F52 WeakPolarHBondContact O-CB 3.4Å; K48-F52 PolarHBondContact O-N 3.16Å; Q49-F52 WeakPolarHBondContact O-CB 3.26Å; Q49-F52 PolarHBondContact O-N 2.98Å; S50-F52 VanDerWaalsContact C-N 3.32Å; F52-R54 PolarHBondContact O-N 3.06Å; F52-T55 WeakPolarHBondContact O-CB 3.22Å; F52-T55 PolarHBondContact O-N 2.9Å; F52-T55 VanDerWaalsContact O-N 3.14Å; F52-Q56 HydrophobicContact CD1-CG 4.27Å; F52-Q56 HydrophobicContact CE1-CG 3.84Å; F52-Q56 HydrophobicContact CE2-CG 4.15Å; F52-Q56 HydrophobicContact CZ-CG 3.77Å; F52-Q56 WeakPolarHBondContact O-CG 3.34Å; F52-Q56 PolarHBondContact O-N 2.79Å; F52-V119 HydrophobicContact CD1-CG2 4.37Å; F52-V119 HydrophobicContact CE1-CG2 4.05Å; F52-H320 AromaticContact CD1-CE1 3.63Å |
| 53 | S | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -55.3 | -49.1 | 177 | -66.6 | 0 | 0 | 0 | 0 | 112.2 | Q49 S50 T55 Q56 F57 S115 | Q49-S53 PolarHBondContact O-N 2.8Å; Q49-S53 PolarHBondContact O-OG 2.9Å; S50-S53 PolarHBondContact O-N 3.24Å; S53-T55 VanDerWaalsContact C-N 3.28Å; S53-T55 PolarHBondContact O-N 3.07Å; S53-Q56 PolarHBondContact O-N 2.98Å; S53-F57 WeakPolarHBondContact O-CD2 3.19Å; S53-F57 PolarHBondContact O-N 3.16Å; S53-S115 WeakPolarHBondContact CB-O 3.17Å; S53-S115 PolarHBondContact OG-O 3.18Å |
| 54 | R | 98.6 | Very high | 97.2 | Very high | 23 Ų | 23 | 67.2 Ų | 67.2 | 9% | 0.087 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.2 | -39.7 | 178.2 | -69.8 | 174.9 | -170.3 | 112.9 | 7.3 | 112 | S50 E51 F52 F57 K58 F63 D83 F85 W111 G112 S115 | S50-R54 WeakPolarHBondContact O-CG 3.3Å; S50-R54 PolarHBondContact O-N 3.06Å; E51-R54 PolarHBondContact O-N 3.12Å; F52-R54 PolarHBondContact O-N 3.06Å; R54-F57 CarbonylContact O-C 3.4Å; R54-F57 PolarHBondContact O-N 3.24Å; R54-K58 WeakPolarHBondContact O-CA 3.34Å; R54-K58 PolarHBondContact O-N 3.12Å; R54-F63 HydrophobicContact CB-CD2 4.27Å; R54-F63 HydrophobicContact CB-CE2 4.07Å; R54-F63 HydrophobicContact CB-CZ 4.28Å; R54-F63 HydrophobicContact CG-CD1 4.14Å; R54-F63 HydrophobicContact CG-CD2 4.3Å; R54-F63 HydrophobicContact CG-CE1 4.28Å; R54-F63 HydrophobicContact CG-CE2 4.4Å; R54-F63 HydrophobicContact CG-CG 4.17Å; R54-F63 HydrophobicContact CG-CZ 4.39Å; R54-F63 WeakPolarHBondContact O-CE2 3.38Å; R54-D83 IonicContact CZ-OD2 3.84Å; R54-D83 IonicContact NE-OD1 3.24Å; R54-D83 IonicContact NE-OD2 3.16Å; R54-D83 PolarHBondContact NE-OD2 3.07Å; R54-D83 IonicContact NH2-OD2 3.04Å; R54-D83 PolarHBondContact NH2-OD2 2.87Å; R54-F85 HydrophobicContact CG-CE1 4.41Å; R54-F85 HydrophobicContact CG-CZ 4.03Å; R54-W111 VanDerWaalsContact NE-CZ2 3.31Å; R54-W111 PolarHBondContact NH2-O 3.16Å; R54-G112 PolarHBondContact NH1-O 3.45Å; R54-S115 PolarHBondContact NH2-OG 3.39Å |
| 55 | T | 98.3 | Very high | 97.3 | Very high | 88 Ų | 88 | 64.2 Ų | 64.2 | 54% | 0.54 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.6 | -41.7 | 178.8 | -58.3 | 0 | 0 | 0 | 0 | 111.8 | E51 F52 S53 F57 K58 | E51-T55 WeakPolarHBondContact O-CB 3.28Å; E51-T55 PolarHBondContact O-N 2.96Å; E51-T55 PolarHBondContact O-OG1 2.71Å; F52-T55 WeakPolarHBondContact O-CB 3.22Å; F52-T55 PolarHBondContact O-N 2.9Å; F52-T55 VanDerWaalsContact O-N 3.14Å; S53-T55 VanDerWaalsContact C-N 3.28Å; S53-T55 PolarHBondContact O-N 3.07Å; T55-F57 PolarHBondContact O-N 2.87Å; T55-K58 PolarHBondContact O-N 3.1Å |
| 56 | Q | 97.6 | Very high | 97.3 | Very high | 114 Ų | 114 | 64.1 Ų | 64.1 | 53% | 0.533 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.5 | -28.1 | 175.9 | -67.6 | -57.4 | -63.1 | 0 | 0 | 112.6 | F52 S53 V119 | F52-Q56 HydrophobicContact CD1-CG 4.27Å; F52-Q56 HydrophobicContact CE1-CG 3.84Å; F52-Q56 HydrophobicContact CE2-CG 4.15Å; F52-Q56 HydrophobicContact CZ-CG 3.77Å; F52-Q56 WeakPolarHBondContact O-CG 3.34Å; F52-Q56 PolarHBondContact O-N 2.79Å; S53-Q56 PolarHBondContact O-N 2.98Å; Q56-V119 HydrophobicContact CB-CG2 4.37Å; Q56-V119 HydrophobicContact CG-CG2 4.28Å |
| 57 | F | 98 | Very high | 97.2 | Very high | 9 Ų | 9 | 65 Ų | 65 | 4% | 0.039 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | 17.8 | -176.4 | -74 | -92.6 | 0 | 0 | 0 | 113.8 | S53 R54 T55 D59 K60 G61 F63 F85 P86 V119 T122 | S53-F57 WeakPolarHBondContact O-CD2 3.19Å; S53-F57 PolarHBondContact O-N 3.16Å; R54-F57 CarbonylContact O-C 3.4Å; R54-F57 PolarHBondContact O-N 3.24Å; T55-F57 PolarHBondContact O-N 2.87Å; F57-D59 PolarHBondContact O-N 3.36Å; F57-K60 HydrophobicContact CD1-CB 4.33Å; F57-K60 PolarHBondContact O-N 3.41Å; F57-G61 PolarHBondContact O-N 2.68Å; F57-F63 HydrophobicContact CB-CZ 3.78Å; F57-F85 HydrophobicContact CB-CD1 3.75Å; F57-F85 HydrophobicContact CB-CE1 4.18Å; F57-F85 HydrophobicContact CD1-CD1 4.46Å; F57-F85 AromaticContact CD2-CD1 3.81Å; F57-F85 HydrophobicContact CD2-CD1 3.81Å; F57-F85 HydrophobicContact CD2-CE1 4.37Å; F57-F85 AromaticContact CG-CD1 3.76Å; F57-F85 HydrophobicContact CG-CD1 3.76Å; F57-F85 HydrophobicContact CG-CE1 4.49Å; F57-P86 HydrophobicContact CD1-CG 4.23Å; F57-P86 HydrophobicContact CE1-CG 4.43Å; F57-P86 VanDerWaalsContact CE1-O 3.31Å; F57-P86 WeakPolarHBondContact CE1-O 3.22Å; F57-V119 HydrophobicContact CE2-CG2 4.11Å; F57-T122 HydrophobicContact CE1-CG2 4.31Å; F57-T122 HydrophobicContact CE2-CG2 4.47Å; F57-T122 HydrophobicContact CZ-CG2 3.95Å; F57-T122 WeakPolarHBondContact CZ-OG1 3.32Å |
| 58 | K | 96.1 | Very high | 96.9 | Very high | 143 Ų | 143 | 61.2 Ų | 61.2 | 62% | 0.622 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -33 | -173.8 | 68 | 176.1 | -171.2 | 176 | 0 | 114.9 | R54 T55 | R54-K58 WeakPolarHBondContact O-CA 3.34Å; R54-K58 PolarHBondContact O-N 3.12Å; T55-K58 PolarHBondContact O-N 3.1Å |
| 59 | D | 94.9 | Very high | 96 | Very high | 140 Ų | 140 | 57.3 Ų | 57.3 | 75% | 0.749 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | 2.1 | -175.9 | -54.8 | -47.4 | 0 | 0 | 0 | 112.8 | F57 | F57-D59 PolarHBondContact O-N 3.36Š|
| 60 | K | 95.3 | Very high | 94.6 | Very high | 88 Ų | 88 | 62 Ų | 62 | 38% | 0.383 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.3 | -39.1 | -170.9 | -61.1 | 178.4 | 178.6 | 178.8 | 0 | 113.6 | F57 P86 Q90 | F57-K60 HydrophobicContact CD1-CB 4.33Å; F57-K60 PolarHBondContact O-N 3.41Å; K60-P86 HydrophobicContact CB-CG 3.96Å; K60-Q90 HydrophobicContact CD-CG 4.06Å |
| 61 | G | 97.5 | Very high | 93 | Very high | 14 Ų | 14 | 68.3 Ų | 68.3 | 14% | 0.144 | 37% | 0.369 | C | S | . | . | trans | -80.1 | 166.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | F57 W84 | F57-G61 PolarHBondContact O-N 2.68Å; G61-W84 VanDerWaalsContact CA-O 3.3Å; G61-W84 WeakPolarHBondContact CA-O 3.34Å | ||
| 62 | V | 97.7 | Very high | 91.7 | Very high | 49 Ų | 49 | 66.9 Ų | 66.9 | 30% | 0.297 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 118.4 | 174.3 | -163.6 | 0 | 0 | 0 | 0 | 107.6 | V65 W84 M162 | V62-V65 HydrophobicContact CB-CG2 4.12Å; V62-V65 HydrophobicContact CG1-CG2 3.38Å; V62-W84 PolarHBondContact N-O 3.15Å; V62-W84 PolarHBondContact O-N 3.46Å; V62-M162 HydrophobicContact CG2-SD 4.44Å |
| 63 | F | 97.5 | Very high | 90.6 | Very high | 56 Ų | 56 | 65.7 Ų | 65.7 | 25% | 0.246 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 151.5 | -167.4 | -50.9 | -47.5 | 0 | 0 | 0 | 112.6 | R54 F57 V65 D83 F85 | R54-F63 HydrophobicContact CB-CD2 4.27Å; R54-F63 HydrophobicContact CB-CE2 4.07Å; R54-F63 HydrophobicContact CB-CZ 4.28Å; R54-F63 HydrophobicContact CG-CD1 4.14Å; R54-F63 HydrophobicContact CG-CD2 4.3Å; R54-F63 HydrophobicContact CG-CE1 4.28Å; R54-F63 HydrophobicContact CG-CE2 4.4Å; R54-F63 HydrophobicContact CG-CG 4.17Å; R54-F63 HydrophobicContact CG-CZ 4.39Å; R54-F63 WeakPolarHBondContact O-CE2 3.38Å; F57-F63 HydrophobicContact CB-CZ 3.78Å; F63-V65 PolarHBondContact O-N 2.96Å; F63-D83 WeakPolarHBondContact CA-OD1 3.32Å; F63-D83 VanDerWaalsContact CB-OD1 3.27Å; F63-D83 WeakPolarHBondContact CB-OD1 3.14Å; F63-D83 HydrophobicContact CD1-CB 3.9Å; F63-F85 HydrophobicContact CD1-CE1 4.27Å; F63-F85 HydrophobicContact CD1-CE2 4.42Å; F63-F85 HydrophobicContact CD1-CZ 4.03Å; F63-F85 AromaticContact CE1-CD1 3.71Å; F63-F85 HydrophobicContact CE1-CD1 3.71Å; F63-F85 HydrophobicContact CE1-CD2 4.38Å; F63-F85 AromaticContact CE1-CE1 3.31Å; F63-F85 HydrophobicContact CE1-CE1 3.31Å; F63-F85 HydrophobicContact CE1-CE2 4.08Å; F63-F85 HydrophobicContact CE1-CG 4.22Å; F63-F85 AromaticContact CE1-CZ 3.51Å; F63-F85 HydrophobicContact CE1-CZ 3.51Å; F63-F85 HydrophobicContact CZ-CD1 4.18Å; F63-F85 AromaticContact CZ-CE1 3.79Å; F63-F85 HydrophobicContact CZ-CE1 3.79Å; F63-F85 HydrophobicContact CZ-CZ 4.35Å |
| 64 | K | 95.7 | Very high | 89.7 | Confident | 78 Ų | 78 | 75.3 Ų | 75.3 | 34% | 0.339 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 51.5 | 42.8 | 178.3 | -155.9 | 174.4 | -177.6 | 177.4 | 0 | 112.4 | P66 D79 V81 L82 D83 W111 | K64-P66 WeakPolarHBondContact O-CD 3.4Å; K64-D79 IonicContact NZ-OD2 2.83Å; K64-V81 HydrophobicContact CG-CB 4.13Å; K64-V81 HydrophobicContact CG-CG1 3.98Å; K64-V81 HydrophobicContact CG-CG2 4.13Å; K64-L82 PolarHBondContact N-O 3.09Å; K64-L82 VanDerWaalsContact N-O 3.12Å; K64-D83 PolarHBondContact N-OD1 3.44Å; K64-W111 HydrophobicContact CB-CZ2 3.85Å; K64-W111 HydrophobicContact CD-CD2 4.24Å; K64-W111 HydrophobicContact CD-CE3 4.26Å; K64-W111 HydrophobicContact CD-CH2 4.21Å; K64-W111 HydrophobicContact CD-CZ2 4.17Å; K64-W111 HydrophobicContact CD-CZ3 4.25Å; K64-W111 HydrophobicContact CG-CD2 4.19Å; K64-W111 HydrophobicContact CG-CZ2 4.24Å |
| 65 | V | 96.3 | Very high | 89.2 | Confident | 18 Ų | 18 | 77.1 Ų | 77.1 | 11% | 0.109 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 118.5 | -178.5 | -177.8 | 0 | 0 | 0 | 0 | 109.6 | V62 F63 V81 L82 L158 | V62-V65 HydrophobicContact CB-CG2 4.12Å; V62-V65 HydrophobicContact CG1-CG2 3.38Å; F63-V65 PolarHBondContact O-N 2.96Å; V65-V81 CarbonylContact O-C 3.54Å; V65-V81 VanDerWaalsContact O-CA 3.25Å; V65-V81 WeakPolarHBondContact O-CA 3.21Å; V65-L82 HydrophobicContact CB-CD1 4.03Å; V65-L82 HydrophobicContact CB-CG 4.04Å; V65-L82 HydrophobicContact CG2-CD1 4.33Å; V65-L82 PolarHBondContact N-O 2.97Å; V65-L82 PolarHBondContact O-N 3.34Å; V65-L158 HydrophobicContact CB-CD1 4.45Å; V65-L158 HydrophobicContact CG1-CD1 4.09Å; V65-L158 HydrophobicContact CG2-CD1 4.44Å |
| 66 | P | 95.9 | Very high | 88.7 | Confident | 45 Ų | 45 | 76.2 Ų | 76.2 | 29% | 0.292 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 143.9 | 177.4 | 29.4 | -34.4 | 0 | 0 | 0 | 111.3 | K64 Y80 V81 | K64-P66 WeakPolarHBondContact O-CD 3.4Å; P66-Y80 WeakPolarHBondContact CA-O 3.31Å; P66-V81 HydrophobicContact CB-CG1 4.46Å |
| 67 | F | 94.9 | Very high | 88.4 | Confident | 21 Ų | 21 | 75.6 Ų | 75.6 | 9% | 0.092 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -126.4 | -4.9 | 175.4 | 59 | -104.3 | 0 | 0 | 0 | 114.4 | Y80 V81 L82 L131 S132 S147 L150 G151 K154 | F67-Y80 WeakPolarHBondContact CD1-O 3.48Å; F67-Y80 HydrophobicContact CE2-CD1 4.02Å; F67-Y80 HydrophobicContact CE2-CG 4.2Å; F67-Y80 HydrophobicContact CZ-CD1 4.3Å; F67-Y80 PolarHBondContact N-O 3Å; F67-V81 VanDerWaalsContact CE1-C 3.49Å; F67-L82 HydrophobicContact CD1-CB 4.3Å; F67-L82 HydrophobicContact CD1-CD2 4.19Å; F67-L82 HydrophobicContact CD1-CG 4.49Å; F67-L82 HydrophobicContact CE1-CB 4.42Å; F67-L131 HydrophobicContact CE1-CD2 4.08Å; F67-S132 WeakPolarHBondContact CZ-O 3.48Å; F67-S147 WeakPolarHBondContact CE2-O 3.21Å; F67-L150 HydrophobicContact CD2-CB 4.34Å; F67-G151 VanDerWaalsContact CD2-CA 3.45Å; F67-G151 VanDerWaalsContact CD2-N 3.35Å; F67-G151 VanDerWaalsContact CG-CA 3.48Å; F67-K154 HydrophobicContact CB-CB 3.73Å; F67-K154 HydrophobicContact CB-CG 3.97Å |
| 68 | V | 89.4 | Confident | 88.1 | Confident | 44 Ų | 44 | 75.9 Ų | 75.9 | 27% | 0.267 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -122.6 | 106.8 | 167.4 | -177.8 | 0 | 0 | 0 | 0 | 108.6 | Y80 L150 | V68-Y80 HydrophobicContact CB-CD2 3.58Å; V68-Y80 HydrophobicContact CB-CE2 4.18Å; V68-Y80 HydrophobicContact CB-CG 3.85Å; V68-Y80 HydrophobicContact CG1-CD2 4.05Å; V68-Y80 HydrophobicContact CG1-CE2 4.19Å; V68-Y80 HydrophobicContact CG2-CD1 4.14Å; V68-Y80 HydrophobicContact CG2-CD2 3.88Å; V68-Y80 HydrophobicContact CG2-CE2 4.38Å; V68-Y80 HydrophobicContact CG2-CG 3.71Å; V68-L150 HydrophobicContact CG2-CD1 3.94Å |
| 69 | G | 80.5 | Confident | 87.9 | Confident | 68 Ų | 68 | 69.9 Ų | 69.9 | 70% | 0.701 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60 | -160.2 | -173 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 70 | S | 68.2 | Low | 87.9 | Confident | 110 Ų | 110 | 64.6 Ų | 64.6 | 77% | 0.769 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.9 | 11.8 | 178 | 60.5 | 0 | 0 | 0 | 0 | 113.2 | ||
| 71 | M | 64.5 | Low | 88 | Confident | 133 Ų | 133 | 60.4 Ų | 60.4 | 66% | 0.655 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -95.9 | 126.2 | -170.9 | -70.6 | -177.2 | 134.8 | 0 | 0 | 111.5 | F73 | M71-F73 HydrophobicContact CB-CE1 4.46Å; M71-F73 HydrophobicContact CB-CE2 4.49Å; M71-F73 HydrophobicContact CB-CZ 4.23Å |
| 72 | V | 71.2 | Confident | 88 | Confident | 70 Ų | 70 | 59.8 Ų | 59.8 | 42% | 0.424 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -92.6 | 130.9 | 158.5 | 178 | 0 | 0 | 0 | 0 | 106.3 | ||
| 73 | F | 75.7 | Confident | 88.1 | Confident | 68 Ų | 68 | 57.4 Ų | 57.4 | 30% | 0.298 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -95.8 | 122.7 | -175.6 | -61.7 | -85.8 | 0 | 0 | 0 | 110.1 | M71 D75 D79 Y80 | M71-F73 HydrophobicContact CB-CE1 4.46Å; M71-F73 HydrophobicContact CB-CE2 4.49Å; M71-F73 HydrophobicContact CB-CZ 4.23Å; F73-D75 PolarHBondContact O-N 3.22Å; F73-D79 PolarHBondContact N-OD1 3.33Å; F73-Y80 HydrophobicContact CE2-CD2 4.27Å; F73-Y80 HydrophobicContact CE2-CE2 4.48Å |
| 74 | E | 80 | Confident | 88.1 | Confident | 202 Ų | 202 | 54.8 Ų | 54.8 | 94% | 0.944 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | 23.8 | 177.7 | -62 | -172.7 | 165.6 | 0 | 0 | 113.1 | ||
| 75 | D | 87.9 | Confident | 88.3 | Confident | 61 Ų | 61 | 51.1 Ų | 51.1 | 33% | 0.326 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 1.2 | -177.4 | 68.9 | 5.5 | 0 | 0 | 0 | 114.1 | F73 Y77 R134 | F73-D75 PolarHBondContact O-N 3.22Å; D75-Y77 VanDerWaalsContact C-N 3.29Å; D75-Y77 HydrophobicContact CB-CD2 4.35Å; D75-Y77 VanDerWaalsContact O-CD2 3.23Å; D75-Y77 WeakPolarHBondContact O-CD2 3.44Å; D75-Y77 PolarHBondContact O-N 3.21Å; D75-Y77 PolarHBondContact OD1-N 3.35Å; D75-R134 VanDerWaalsContact CG-NH2 3.25Å; D75-R134 IonicContact OD1-CZ 2.73Å; D75-R134 VanDerWaalsContact OD1-CZ 3.3Å; D75-R134 IonicContact OD1-NH1 3.18Å; D75-R134 PolarHBondContact OD1-NH1 3.38Å; D75-R134 IonicContact OD1-NH2 2.69Å; D75-R134 PolarHBondContact OD1-NH2 3.05Å; D75-R134 IonicContact OD2-CZ 3.71Å; D75-R134 IonicContact OD2-NH1 3.62Å; D75-R134 IonicContact OD2-NH2 2.72Å; D75-R134 PolarHBondContact OD2-NH2 3.48Å |
| 76 | G | 86.9 | Confident | 88.4 | Confident | 70 Ų | 70 | 50.3 Ų | 50.3 | 72% | 0.722 | 30% | 0.298 | S | S | * | . | S | Bend | trans | 78.1 | 2.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | G78 | G76-G78 VanDerWaalsContact C-N 3.33Å; G76-G78 PolarHBondContact O-N 3.14Å |
| 77 | Y | 91.8 | Very high | 88.4 | Confident | 100 Ų | 100 | 48.2 Ų | 48.2 | 39% | 0.392 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -94.4 | 41.1 | -180 | -68.9 | -79.6 | 0 | 0 | 0 | 113.3 | D75 R134 L135 P137 K138 | D75-Y77 VanDerWaalsContact C-N 3.29Å; D75-Y77 HydrophobicContact CB-CD2 4.35Å; D75-Y77 VanDerWaalsContact O-CD2 3.23Å; D75-Y77 WeakPolarHBondContact O-CD2 3.44Å; D75-Y77 PolarHBondContact O-N 3.21Å; D75-Y77 PolarHBondContact OD1-N 3.35Å; Y77-R134 CarbonylContact O-C 3.34Å; Y77-R134 VanDerWaalsContact O-CA 3.32Å; Y77-R134 WeakPolarHBondContact O-CA 3.48Å; Y77-R134 PolarHBondContact O-NH1 3.21Å; Y77-L135 HydrophobicContact CD1-CB 4.48Å; Y77-L135 PolarHBondContact O-N 3.4Å; Y77-P137 HydrophobicContact CE1-CG 4.5Å; Y77-K138 HydrophobicContact CD1-CB 4.23Å; Y77-K138 HydrophobicContact CD2-CB 4.27Å; Y77-K138 HydrophobicContact CG-CB 3.83Å; Y77-K138 HydrophobicContact CG-CG 4.48Å |
| 78 | G | 92.2 | Very high | 88.5 | Confident | 15 Ų | 15 | 48.8 Ų | 48.8 | 16% | 0.155 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | 72.8 | -176.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114 | G76 R134 | G76-G78 VanDerWaalsContact C-N 3.33Å; G76-G78 PolarHBondContact O-N 3.14Å; G78-R134 WeakPolarHBondContact O-CD 3.41Å; G78-R134 PolarHBondContact O-NH1 3.4Å |
| 79 | D | 92.8 | Very high | 88.8 | Confident | 18 Ų | 18 | 50.5 Ų | 50.5 | 10% | 0.096 | 30% | 0.299 | C | S | . | . | trans | -147 | 145.9 | -177.6 | -77.5 | -52.6 | 0 | 0 | 0 | 109 | K64 F73 V81 S132 Y133 | K64-D79 IonicContact NZ-OD2 2.83Å; F73-D79 PolarHBondContact N-OD1 3.33Å; D79-V81 HydrophobicContact CB-CB 4.36Å; D79-V81 HydrophobicContact CB-CG1 3.91Å; D79-V81 HydrophobicContact CB-CG2 3.69Å; D79-V81 PolarHBondContact O-N 2.66Å; D79-S132 CarbonylContact O-C 3.53Å; D79-S132 WeakPolarHBondContact O-CB 3.31Å; D79-Y133 PolarHBondContact O-N 3.23Å | ||
| 80 | Y | 94.8 | Very high | 89.3 | Confident | 29 Ų | 29 | 51.6 Ų | 51.6 | 11% | 0.114 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -80.3 | 71.4 | 169.4 | -58.4 | -67 | 0 | 0 | 0 | 110.9 | P66 F67 V68 F73 R134 E139 S147 | P66-Y80 WeakPolarHBondContact CA-O 3.31Å; F67-Y80 WeakPolarHBondContact CD1-O 3.48Å; F67-Y80 HydrophobicContact CE2-CD1 4.02Å; F67-Y80 HydrophobicContact CE2-CG 4.2Å; F67-Y80 HydrophobicContact CZ-CD1 4.3Å; F67-Y80 PolarHBondContact N-O 3Å; V68-Y80 HydrophobicContact CB-CD2 3.58Å; V68-Y80 HydrophobicContact CB-CE2 4.18Å; V68-Y80 HydrophobicContact CB-CG 3.85Å; V68-Y80 HydrophobicContact CG1-CD2 4.05Å; V68-Y80 HydrophobicContact CG1-CE2 4.19Å; V68-Y80 HydrophobicContact CG2-CD1 4.14Å; V68-Y80 HydrophobicContact CG2-CD2 3.88Å; V68-Y80 HydrophobicContact CG2-CE2 4.38Å; V68-Y80 HydrophobicContact CG2-CG 3.71Å; F73-Y80 HydrophobicContact CE2-CD2 4.27Å; F73-Y80 HydrophobicContact CE2-CE2 4.48Å; Y80-R134 HydrophobicContact CD1-CG 4.08Å; Y80-R134 HydrophobicContact CD2-CG 3.7Å; Y80-R134 HydrophobicContact CE1-CB 4.07Å; Y80-R134 HydrophobicContact CE1-CG 3.67Å; Y80-R134 HydrophobicContact CE2-CB 4.33Å; Y80-R134 HydrophobicContact CE2-CG 3.27Å; Y80-R134 HydrophobicContact CG-CG 4.09Å; Y80-E139 WeakPolarHBondContact CE1-OE2 3.43Å; Y80-E139 PolarHBondContact OH-OE1 3.27Å; Y80-E139 PolarHBondContact OH-OE2 3.13Å; Y80-S147 WeakPolarHBondContact CE1-OG 3.38Å |
| 81 | V | 96.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 152.9 | -176.8 | -66.3 | 0 | 0 | 0 | 0 | 111.1 | K64 V65 P66 F67 D79 W111 S132 | K64-V81 HydrophobicContact CG-CB 4.13Å; K64-V81 HydrophobicContact CG-CG1 3.98Å; K64-V81 HydrophobicContact CG-CG2 4.13Å; V65-V81 CarbonylContact O-C 3.54Å; V65-V81 VanDerWaalsContact O-CA 3.25Å; V65-V81 WeakPolarHBondContact O-CA 3.21Å; P66-V81 HydrophobicContact CB-CG1 4.46Å; F67-V81 VanDerWaalsContact CE1-C 3.49Å; D79-V81 HydrophobicContact CB-CB 4.36Å; D79-V81 HydrophobicContact CB-CG1 3.91Å; D79-V81 HydrophobicContact CB-CG2 3.69Å; D79-V81 PolarHBondContact O-N 2.66Å; V81-W111 HydrophobicContact CG2-CB 3.68Å; V81-W111 HydrophobicContact CG2-CG 3.73Å; V81-S132 WeakPolarHBondContact O-CB 3.05Å; V81-S132 PolarHBondContact O-N 3.47Å |
| 82 | L | 98.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 151.1 | 173.4 | 70.1 | 83.8 | 0 | 0 | 0 | 111.5 | K64 V65 F67 W84 V129 S130 L131 K154 V155 L158 | K64-L82 PolarHBondContact N-O 3.09Å; K64-L82 VanDerWaalsContact N-O 3.12Å; V65-L82 HydrophobicContact CB-CD1 4.03Å; V65-L82 HydrophobicContact CB-CG 4.04Å; V65-L82 HydrophobicContact CG2-CD1 4.33Å; V65-L82 PolarHBondContact N-O 2.97Å; V65-L82 PolarHBondContact O-N 3.34Å; F67-L82 HydrophobicContact CD1-CB 4.3Å; F67-L82 HydrophobicContact CD1-CD2 4.19Å; F67-L82 HydrophobicContact CD1-CG 4.49Å; F67-L82 HydrophobicContact CE1-CB 4.42Å; L82-W84 HydrophobicContact CD1-CB 3.84Å; L82-V129 HydrophobicContact CB-CG1 4.35Å; L82-S130 WeakPolarHBondContact CA-O 3.28Å; L82-S130 WeakPolarHBondContact CB-O 3.36Å; L82-L131 HydrophobicContact CB-CD2 3.6Å; L82-L131 HydrophobicContact CD2-CD2 4.08Å; L82-K154 HydrophobicContact CD2-CB 4Å; L82-K154 HydrophobicContact CD2-CG 3.78Å; L82-V155 HydrophobicContact CD2-CG2 3.91Å; L82-L158 HydrophobicContact CD1-CD1 3.76Å; L82-L158 HydrophobicContact CD2-CD1 4.21Å; L82-L158 HydrophobicContact CG-CD1 4.48Å |
| 83 | D | 98.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 140.8 | 156.3 | -70.8 | -20.3 | 0 | 0 | 0 | 109.3 | R54 F63 K64 F85 W111 S115 V129 S130 | R54-D83 IonicContact CZ-OD2 3.84Å; R54-D83 IonicContact NE-OD1 3.24Å; R54-D83 IonicContact NE-OD2 3.16Å; R54-D83 PolarHBondContact NE-OD2 3.07Å; R54-D83 IonicContact NH2-OD2 3.04Å; R54-D83 PolarHBondContact NH2-OD2 2.87Å; F63-D83 WeakPolarHBondContact CA-OD1 3.32Å; F63-D83 VanDerWaalsContact CB-OD1 3.27Å; F63-D83 WeakPolarHBondContact CB-OD1 3.14Å; F63-D83 HydrophobicContact CD1-CB 3.9Å; K64-D83 PolarHBondContact N-OD1 3.44Å; D83-F85 HydrophobicContact CB-CD2 4.18Å; D83-F85 HydrophobicContact CB-CE2 3.41Å; D83-F85 VanDerWaalsContact CB-CE2 3.41Å; D83-F85 HydrophobicContact CB-CZ 4.05Å; D83-W111 VanDerWaalsContact CG-NE1 3.26Å; D83-W111 PolarHBondContact OD1-NE1 3.03Å; D83-W111 PolarHBondContact OD2-NE1 3.37Å; D83-S115 PolarHBondContact OD2-OG 2.71Å; D83-V129 VanDerWaalsContact O-CA 3.26Å; D83-V129 WeakPolarHBondContact O-CA 3.38Å; D83-V129 WeakPolarHBondContact O-CG1 3.41Å; D83-S130 PolarHBondContact N-O 2.87Å; D83-S130 VanDerWaalsContact N-O 3.13Å; D83-S130 PolarHBondContact O-N 2.92Å; D83-S130 VanDerWaalsContact O-N 3.1Å |
| 84 | W | 98.7 | Very high | 93.8 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 0% | 0.004 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 127.1 | 177.6 | -173.6 | 101.5 | 0 | 0 | 0 | 109.3 | G61 V62 L82 P86 I127 V129 T159 M162 F163 | G61-W84 VanDerWaalsContact CA-O 3.3Å; G61-W84 WeakPolarHBondContact CA-O 3.34Å; V62-W84 PolarHBondContact N-O 3.15Å; V62-W84 PolarHBondContact O-N 3.46Å; L82-W84 HydrophobicContact CD1-CB 3.84Å; W84-P86 HydrophobicContact CH2-CB 3.74Å; W84-P86 HydrophobicContact CZ3-CB 3.62Å; W84-P86 HydrophobicContact CZ3-CG 3.94Å; W84-I127 HydrophobicContact CD2-CG2 4.32Å; W84-I127 HydrophobicContact CZ2-CD1 3.74Å; W84-I127 HydrophobicContact CZ2-CG1 3.94Å; W84-I127 HydrophobicContact CZ2-CG2 4Å; W84-V129 HydrophobicContact CG-CG2 4.28Å; W84-T159 PolarHBondContact NE1-OG1 3.27Å; W84-M162 HydrophobicContact CH2-CB 3.78Å; W84-M162 HydrophobicContact CH2-CG 3.87Å; W84-M162 HydrophobicContact CZ2-CB 4.21Å; W84-M162 HydrophobicContact CZ2-CG 4.31Å; W84-M162 HydrophobicContact CZ3-CB 4.36Å; W84-M162 HydrophobicContact CZ3-CE 4.17Å; W84-M162 HydrophobicContact CZ3-CG 4.02Å; W84-F163 HydrophobicContact CH2-CD2 4.18Å; W84-F163 AromaticContact CH2-CE2 3.42Å; W84-F163 HydrophobicContact CH2-CE2 3.42Å; W84-F163 VanDerWaalsContact CH2-CE2 3.42Å; W84-F163 HydrophobicContact CH2-CZ 4.16Å; W84-F163 HydrophobicContact CZ2-CD2 4.18Å; W84-F163 AromaticContact CZ2-CE2 3.64Å; W84-F163 HydrophobicContact CZ2-CE2 3.64Å |
| 85 | F | 98.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 125.9 | -178 | -59.1 | -104.3 | 0 | 0 | 0 | 109.9 | R54 F57 F63 D83 A118 T122 I127 F128 | R54-F85 HydrophobicContact CG-CE1 4.41Å; R54-F85 HydrophobicContact CG-CZ 4.03Å; F57-F85 HydrophobicContact CB-CD1 3.75Å; F57-F85 HydrophobicContact CB-CE1 4.18Å; F57-F85 HydrophobicContact CD1-CD1 4.46Å; F57-F85 AromaticContact CD2-CD1 3.81Å; F57-F85 HydrophobicContact CD2-CD1 3.81Å; F57-F85 HydrophobicContact CD2-CE1 4.37Å; F57-F85 AromaticContact CG-CD1 3.76Å; F57-F85 HydrophobicContact CG-CD1 3.76Å; F57-F85 HydrophobicContact CG-CE1 4.49Å; F63-F85 HydrophobicContact CD1-CE1 4.27Å; F63-F85 HydrophobicContact CD1-CE2 4.42Å; F63-F85 HydrophobicContact CD1-CZ 4.03Å; F63-F85 AromaticContact CE1-CD1 3.71Å; F63-F85 HydrophobicContact CE1-CD1 3.71Å; F63-F85 HydrophobicContact CE1-CD2 4.38Å; F63-F85 AromaticContact CE1-CE1 3.31Å; F63-F85 HydrophobicContact CE1-CE1 3.31Å; F63-F85 HydrophobicContact CE1-CE2 4.08Å; F63-F85 HydrophobicContact CE1-CG 4.22Å; F63-F85 AromaticContact CE1-CZ 3.51Å; F63-F85 HydrophobicContact CE1-CZ 3.51Å; F63-F85 HydrophobicContact CZ-CD1 4.18Å; F63-F85 AromaticContact CZ-CE1 3.79Å; F63-F85 HydrophobicContact CZ-CE1 3.79Å; F63-F85 HydrophobicContact CZ-CZ 4.35Å; D83-F85 HydrophobicContact CB-CD2 4.18Å; D83-F85 HydrophobicContact CB-CE2 3.41Å; D83-F85 VanDerWaalsContact CB-CE2 3.41Å; D83-F85 HydrophobicContact CB-CZ 4.05Å; F85-A118 HydrophobicContact CD1-CB 3.94Å; F85-A118 HydrophobicContact CD2-CB 3.84Å; F85-A118 HydrophobicContact CE1-CB 4Å; F85-A118 HydrophobicContact CE2-CB 3.86Å; F85-A118 HydrophobicContact CG-CB 3.88Å; F85-A118 HydrophobicContact CZ-CB 3.97Å; F85-T122 HydrophobicContact CB-CG2 3.72Å; F85-I127 WeakPolarHBondContact O-CA 3.41Å; F85-I127 WeakPolarHBondContact O-CG2 3.49Å; F85-F128 HydrophobicContact CB-CB 4.27Å; F85-F128 AromaticContact CD2-CD1 3.7Å; F85-F128 HydrophobicContact CD2-CD1 3.7Å; F85-F128 HydrophobicContact CE2-CD1 4.04Å; F85-F128 HydrophobicContact CE2-CE1 4.42Å; F85-F128 PolarHBondContact N-O 3.03Å; F85-F128 PolarHBondContact O-N 2.98Å |
| 86 | P | 98.1 | Very high | 95 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.013 | 22% | 0.216 | C | C | . | . | trans | -76 | 166.9 | 174.3 | 32 | -33.7 | 0 | 0 | 0 | 111.5 | F57 K60 W84 T122 F163 | F57-P86 HydrophobicContact CD1-CG 4.23Å; F57-P86 HydrophobicContact CE1-CG 4.43Å; F57-P86 VanDerWaalsContact CE1-O 3.31Å; F57-P86 WeakPolarHBondContact CE1-O 3.22Å; K60-P86 HydrophobicContact CB-CG 3.96Å; W84-P86 HydrophobicContact CH2-CB 3.74Å; W84-P86 HydrophobicContact CZ3-CB 3.62Å; W84-P86 HydrophobicContact CZ3-CG 3.94Å; P86-T122 WeakPolarHBondContact O-CB 3.36Å; P86-T122 WeakPolarHBondContact O-CG2 3.41Å; P86-F163 HydrophobicContact CB-CZ 4.14Å | ||
| 87 | P | 97.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | trans | -49.1 | 144.7 | 166.9 | -26.8 | 36.1 | 0 | 0 | 0 | 112.1 | D89 Q90 I92 P94 | P87-D89 VanDerWaalsContact C-N 3.29Å; P87-D89 PolarHBondContact O-N 3.09Å; P87-Q90 PolarHBondContact O-NE2 2.98Å; P87-I92 HydrophobicContact CB-CB 4.29Å; P87-I92 HydrophobicContact CB-CG2 4.33Å; P87-I92 HydrophobicContact CG-CG2 4.31Å; P87-P94 HydrophobicContact CG-CB 3.77Å; P87-P94 HydrophobicContact CG-CG 4.18Å | ||
| 88 | S | 96.5 | Very high | 95.8 | Very high | 32 Ų | 32 | 28.7 Ų | 28.7 | 22% | 0.224 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -60.9 | -41.7 | -177.2 | -65.2 | 0 | 0 | 0 | 0 | 111.6 | T122 N123 | S88-T122 PolarHBondContact N-O 3.12Å; S88-T122 VanDerWaalsContact OG-C 3.28Å; S88-T122 PolarHBondContact OG-O 2.99Å; S88-T122 PolarHBondContact OG-OG1 3.02Å; S88-T122 VanDerWaalsContact OG-OG1 3.07Å; S88-N123 VanDerWaalsContact CB-OD1 3.29Å; S88-N123 WeakPolarHBondContact CB-OD1 3.36Å; S88-N123 PolarHBondContact OG-N 3.37Å; S88-N123 PolarHBondContact OG-OD1 3.46Å |
| 89 | D | 95.5 | Very high | 96.2 | Very high | 81 Ų | 81 | 28 Ų | 28 | 43% | 0.433 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -83.4 | 113.8 | 168.8 | -174 | -11.4 | 0 | 0 | 0 | 110.2 | P87 S91 I92 | P87-D89 VanDerWaalsContact C-N 3.29Å; P87-D89 PolarHBondContact O-N 3.09Å; D89-S91 PolarHBondContact O-N 2.87Å; D89-S91 WeakPolarHBondContact OD1-CB 3.41Å; D89-S91 PolarHBondContact OD1-N 3.16Å; D89-S91 PolarHBondContact OD1-OG 2.67Å; D89-S91 PolarHBondContact OD2-OG 2.93Å; D89-I92 HydrophobicContact CB-CG1 3.93Å; D89-I92 WeakPolarHBondContact O-CB 3.23Å; D89-I92 PolarHBondContact O-N 2.88Å |
| 90 | Q | 91.6 | Very high | 96.4 | Very high | 90 Ų | 90 | 27.2 Ų | 27.2 | 42% | 0.421 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -9 | -177.4 | -61.3 | -67.6 | -76.7 | 0 | 0 | 113.4 | K60 P87 | K60-Q90 HydrophobicContact CD-CG 4.06Å; P87-Q90 PolarHBondContact O-NE2 2.98Å |
| 91 | S | 93.3 | Very high | 96.6 | Very high | 94 Ų | 94 | 25.9 Ų | 25.9 | 66% | 0.657 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -15.7 | 172.5 | 72.8 | 0 | 0 | 0 | 0 | 112.6 | D89 | D89-S91 PolarHBondContact O-N 2.87Å; D89-S91 WeakPolarHBondContact OD1-CB 3.41Å; D89-S91 PolarHBondContact OD1-N 3.16Å; D89-S91 PolarHBondContact OD1-OG 2.67Å; D89-S91 PolarHBondContact OD2-OG 2.93Å |
| 92 | I | 92.9 | Very high | 96.7 | Very high | 48 Ų | 48 | 25.9 Ų | 25.9 | 25% | 0.246 | 15% | 0.146 | C | C | . | . | trans | -76.9 | 128.8 | 178.1 | -63.2 | -63.7 | 0 | 0 | 0 | 110.4 | P87 D89 P94 D125 | P87-I92 HydrophobicContact CB-CB 4.29Å; P87-I92 HydrophobicContact CB-CG2 4.33Å; P87-I92 HydrophobicContact CG-CG2 4.31Å; D89-I92 HydrophobicContact CB-CG1 3.93Å; D89-I92 WeakPolarHBondContact O-CB 3.23Å; D89-I92 PolarHBondContact O-N 2.88Å; I92-P94 WeakPolarHBondContact O-CD 3.16Å; I92-D125 HydrophobicContact CG2-CB 4.01Å | ||
| 93 | I | 93.5 | Very high | 96.7 | Very high | 126 Ų | 126 | 26 Ų | 26 | 65% | 0.646 | 15% | 0.147 | S | C | * | . | trans | -86.2 | 111.2 | 163.6 | -59 | 175.4 | 0 | 0 | 0 | 107.1 | L166 | I93-L166 HydrophobicContact CG2-CD2 3.63Š| ||
| 94 | P | 94.1 | Very high | 96.5 | Very high | 3 Ų | 3 | 26.8 Ų | 26.8 | 2% | 0.019 | 16% | 0.155 | C | C | . | . | trans | -69.5 | 140.7 | -174 | 25.7 | -31.7 | 0 | 0 | 0 | 111.4 | P87 I92 I127 F163 L166 | P87-P94 HydrophobicContact CG-CB 3.77Å; P87-P94 HydrophobicContact CG-CG 4.18Å; I92-P94 WeakPolarHBondContact O-CD 3.16Å; P94-I127 HydrophobicContact CB-CD1 3.9Å; P94-I127 HydrophobicContact CB-CG1 3.84Å; P94-I127 HydrophobicContact CG-CD1 3.52Å; P94-I127 HydrophobicContact CG-CG1 3.81Å; P94-F163 VanDerWaalsContact CD-CE1 3.5Å; P94-F163 HydrophobicContact CG-CD1 4.29Å; P94-F163 HydrophobicContact CG-CD2 3.85Å; P94-F163 HydrophobicContact CG-CE1 4.02Å; P94-F163 HydrophobicContact CG-CE2 3.52Å; P94-F163 HydrophobicContact CG-CG 4.22Å; P94-F163 HydrophobicContact CG-CZ 3.64Å; P94-L166 HydrophobicContact CG-CD1 4.26Å | ||
| 95 | T | 95.1 | Very high | 96.5 | Very high | 56 Ų | 56 | 27 Ų | 27 | 34% | 0.344 | 16% | 0.156 | S | C | . | . | trans | -114.2 | 0.1 | 170.5 | 60 | 0 | 0 | 0 | 0 | 112.8 | L171 R172 | T95-L171 CarbonylContact O-C 3.59Å; T95-L171 WeakPolarHBondContact O-CA 3.15Å; T95-R172 PolarHBondContact O-N 3.24Å | ||
| 96 | N | 96.9 | Very high | 96.4 | Very high | 7 Ų | 7 | 27 Ų | 27 | 4% | 0.037 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 139.1 | 179.8 | -66 | -64.3 | 0 | 0 | 0 | 111.1 | S126 I127 R172 I336 | N96-S126 WeakPolarHBondContact CB-OG 3.32Å; N96-I127 PolarHBondContact O-N 3.33Å; N96-R172 CarbonylContact C-O 3.22Å; N96-R172 VanDerWaalsContact CA-O 3.3Å; N96-R172 WeakPolarHBondContact CA-O 3.27Å; N96-R172 PolarHBondContact ND2-NH2 3.05Å; N96-R172 PolarHBondContact OD1-NE 3.06Å; N96-R172 PolarHBondContact OD1-NH2 2.76Å; N96-R172 VanDerWaalsContact OD1-NH2 3.16Å; N96-I336 HydrophobicContact CB-CB 4.38Å; N96-I336 PolarHBondContact ND2-O 2.86Å; N96-I336 PolarHBondContact OD1-O 3.4Å |
| 97 | I | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 121.6 | 166.9 | -49.5 | -179.6 | 0 | 0 | 0 | 107.7 | V99 I127 V129 V155 M156 T159 L171 R172 I173 T174 | I97-V99 HydrophobicContact CG2-CG2 3.79Å; I97-I127 WeakPolarHBondContact CA-O 3.45Å; I97-I127 HydrophobicContact CB-CB 4.43Å; I97-I127 HydrophobicContact CD1-CD1 4.44Å; I97-I127 HydrophobicContact CG1-CB 4.18Å; I97-I127 HydrophobicContact CG1-CD1 4.06Å; I97-I127 HydrophobicContact CG2-CB 4.25Å; I97-I127 HydrophobicContact CG2-CG2 3.97Å; I97-V129 HydrophobicContact CG2-CG2 4.01Å; I97-V155 HydrophobicContact CD1-CG1 4.39Å; I97-V155 HydrophobicContact CG2-CG1 4.22Å; I97-M156 HydrophobicContact CD1-SD 4.46Å; I97-T159 HydrophobicContact CD1-CG2 4.04Å; I97-L171 HydrophobicContact CD1-CD1 4.14Å; I97-L171 HydrophobicContact CD1-CD2 3.91Å; I97-L171 HydrophobicContact CD1-CG 4.29Å; I97-L171 HydrophobicContact CG1-CD1 3.9Å; I97-L171 HydrophobicContact CG1-CG 4.42Å; I97-R172 PolarHBondContact N-O 3.45Å; I97-I173 HydrophobicContact CB-CG1 4.26Å; I97-I173 HydrophobicContact CD1-CG1 4.43Å; I97-I173 WeakPolarHBondContact O-CA 3.41Å; I97-T174 PolarHBondContact O-N 3.06Å |
| 98 | V | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 119 | 169.5 | -176.9 | 0 | 0 | 0 | 0 | 107.8 | W117 V121 I127 F128 V129 T174 I336 | V98-W117 HydrophobicContact CG1-CH2 3.88Å; V98-W117 HydrophobicContact CG1-CZ3 4.41Å; V98-V121 HydrophobicContact CB-CG1 3.85Å; V98-V121 HydrophobicContact CG2-CG1 3.7Å; V98-I127 PolarHBondContact N-O 3.38Å; V98-F128 HydrophobicContact CG1-CD2 4.49Å; V98-F128 WeakPolarHBondContact O-CA 3.39Å; V98-V129 PolarHBondContact O-N 3.49Å; V98-T174 WeakPolarHBondContact CA-O 3.03Å; V98-I336 HydrophobicContact CG2-CD1 4.04Å; V98-I336 HydrophobicContact CG2-CG2 4.19Å |
| 99 | V | 98.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 125.4 | 178.6 | -172.8 | 0 | 0 | 0 | 0 | 109.1 | I97 V129 L131 M152 I173 T174 L175 F176 | I97-V99 HydrophobicContact CG2-CG2 3.79Å; V99-V129 CarbonylContact C-O 3.48Å; V99-V129 WeakPolarHBondContact CA-O 3.08Å; V99-V129 HydrophobicContact CG1-CB 4.28Å; V99-V129 HydrophobicContact CG1-CG1 4.26Å; V99-V129 HydrophobicContact CG2-CB 4.23Å; V99-L131 HydrophobicContact CG1-CD1 3.64Å; V99-L131 HydrophobicContact CG1-CG 3.75Å; V99-M152 HydrophobicContact CB-SD 4.31Å; V99-M152 HydrophobicContact CG1-SD 3.87Å; V99-M152 HydrophobicContact CG2-CE 4.06Å; V99-M152 HydrophobicContact CG2-SD 3.97Å; V99-I173 HydrophobicContact CG2-CG2 4.19Å; V99-T174 PolarHBondContact N-O 3.34Å; V99-L175 HydrophobicContact CB-CD2 3.72Å; V99-L175 HydrophobicContact CG1-CD2 4.28Å; V99-L175 HydrophobicContact CG2-CD2 4.13Å; V99-F176 PolarHBondContact O-N 3.2Å |
| 100 | Y | 98.8 | Very high | 96 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.008 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 131 | -179.4 | 175.2 | -131.4 | 0 | 0 | 0 | 111.6 | H102 S114 W117 F128 V129 L131 F176 H178 L316 | Y100-H102 HydrophobicContact CE1-CB 4.11Å; Y100-S114 WeakPolarHBondContact CD1-O 3.44Å; Y100-W117 AromaticContact CD1-NE1 3.47Å; Y100-W117 HydrophobicContact CD2-CZ2 4.06Å; Y100-W117 AromaticContact CD2-NE1 3.97Å; Y100-W117 AromaticContact CE1-NE1 3.84Å; Y100-W117 HydrophobicContact CG-CZ2 4.03Å; Y100-W117 AromaticContact CG-NE1 3.54Å; Y100-F128 HydrophobicContact CD1-CZ 4.21Å; Y100-F128 HydrophobicContact CG-CZ 4.34Å; Y100-V129 PolarHBondContact N-O 3.2Å; Y100-L131 PolarHBondContact O-N 3.12Å; Y100-F176 WeakPolarHBondContact CA-O 3.32Å; Y100-F176 AromaticContact CD2-CD1 3.45Å; Y100-F176 HydrophobicContact CD2-CD1 3.45Å; Y100-F176 VanDerWaalsContact CD2-CD1 3.45Å; Y100-F176 AromaticContact CD2-CE1 3.96Å; Y100-F176 HydrophobicContact CD2-CE1 3.96Å; Y100-F176 HydrophobicContact CD2-CG 4.42Å; Y100-F176 AromaticContact CE2-CD1 3.73Å; Y100-F176 HydrophobicContact CE2-CD1 3.73Å; Y100-F176 AromaticContact CE2-CE1 3.79Å; Y100-F176 HydrophobicContact CE2-CE1 3.79Å; Y100-H178 HydrophobicContact CE2-CB 4.09Å; Y100-L316 WeakPolarHBondContact OH-CD1 3.34Å |
| 101 | I | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 122.6 | 170.3 | -50.2 | -173.9 | 0 | 0 | 0 | 108.6 | L131 Y133 L148 F176 H178 L184 V185 M188 | I101-L131 HydrophobicContact CG1-CB 4.45Å; I101-Y133 HydrophobicContact CG2-CD1 4.12Å; I101-Y133 HydrophobicContact CG2-CE1 3.75Å; I101-L148 HydrophobicContact CD1-CD1 4.05Å; I101-L148 HydrophobicContact CD1-CD2 4.25Å; I101-L148 HydrophobicContact CG2-CD1 4.25Å; I101-F176 PolarHBondContact N-O 2.78Å; I101-H178 PolarHBondContact O-N 3.47Å; I101-L184 HydrophobicContact CG2-CB 4.19Å; I101-L184 HydrophobicContact CG2-CD1 4.16Å; I101-V185 HydrophobicContact CB-CG2 4.36Å; I101-V185 HydrophobicContact CD1-CG2 3.74Å; I101-V185 HydrophobicContact CG1-CG2 4.16Å; I101-M188 HydrophobicContact CD1-CE 4.25Å; I101-M188 HydrophobicContact CD1-SD 4.26Å |
| 102 | H | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | trans | -77.9 | 157 | -172.7 | 68.8 | 77.3 | 0 | 0 | 0 | 113.9 | Y100 V109 S114 Y133 G181 | Y100-H102 HydrophobicContact CE1-CB 4.11Å; H102-V109 HydrophobicContact CB-CG1 3.77Å; H102-V109 PolarHBondContact CE1-O 3.1Å; H102-V109 WeakPolarHBondContact ND1-CB 3.12Å; H102-S114 WeakPolarHBondContact CB-OG 3.48Å; H102-S114 PolarHBondContact CD2-OG 3.22Å; H102-Y133 AromaticContact CD2-CE1 3.93Å; H102-Y133 AromaticContact CE1-CE1 3.49Å; H102-Y133 VanDerWaalsContact CE1-CE1 3.49Å; H102-Y133 WeakPolarHBondContact CE1-CE1 3.32Å; H102-Y133 AromaticContact CE1-CZ 3.48Å; H102-Y133 VanDerWaalsContact CE1-CZ 3.48Å; H102-Y133 AromaticContact ND1-CE1 3.88Å; H102-Y133 AromaticContact ND1-CZ 3.89Å; H102-Y133 AromaticContact NE2-CD1 3.9Å; H102-Y133 AromaticContact NE2-CE1 3.51Å; H102-Y133 AromaticContact NE2-CZ 3.97Å; H102-Y133 PolarHBondContact O-OH 3.48Å; H102-G181 VanDerWaalsContact O-CA 3.31Å; H102-G181 WeakPolarHBondContact O-CA 3.5Å; H102-G181 PolarHBondContact O-N 2.97Å | ||
| 103 | G | 97.3 | Very high | 96.6 | Very high | 2 Ų | 2 | 21.5 Ų | 21.5 | 2% | 0.021 | 12% | 0.118 | C | C | . | . | trans | -80.3 | -148.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | H178 | G103-H178 WeakPolarHBondContact CA-O 3.36Å; G103-H178 PolarHBondContact N-O 3.43Å | ||
| 104 | G | 96.1 | Very high | 96.9 | Very high | 17 Ų | 17 | 15.5 Ų | 15.5 | 18% | 0.175 | 9% | 0.087 | C | C | . | . | S | Bend | trans | 100.3 | 24.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | W106 Q107 L108 | G104-W106 PolarHBondContact O-N 3.29Å; G104-W106 VanDerWaalsContact O-N 3.12Å; G104-Q107 PolarHBondContact O-N 3.26Å; G104-L108 WeakPolarHBondContact O-CB 3.4Å; G104-L108 PolarHBondContact O-N 3.17Å |
| 105 | Y | 97 | Very high | 97.1 | Very high | 7 Ų | 7 | 15.4 Ų | 15.4 | 3% | 0.027 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | 41.9 | 179.1 | -76.9 | -61 | 0 | 0 | 0 | 113.1 | Y19 T21 Q107 V215 I221 Y225 V226 M274 | Y19-Y105 VanDerWaalsContact O-CE2 3.31Å; Y19-Y105 WeakPolarHBondContact O-CE2 3.34Å; Y19-Y105 PolarHBondContact O-OH 3.44Å; T21-Y105 HydrophobicContact CG2-CE2 4.21Å; Y105-Q107 PolarHBondContact O-N 2.72Å; Y105-Q107 PolarHBondContact O-NE2 2.88Å; Y105-V215 HydrophobicContact CE1-CG2 4.12Å; Y105-I221 HydrophobicContact CE1-CD1 4.3Å; Y105-Y225 WeakPolarHBondContact CD2-OH 3.43Å; Y105-V226 HydrophobicContact CD1-CB 4.49Å; Y105-V226 HydrophobicContact CD1-CG1 3.95Å; Y105-V226 HydrophobicContact CD1-CG2 3.76Å; Y105-V226 HydrophobicContact CD2-CG2 3.83Å; Y105-V226 HydrophobicContact CE1-CG2 4.16Å; Y105-V226 HydrophobicContact CE2-CG2 4.22Å; Y105-V226 HydrophobicContact CG-CG1 4.1Å; Y105-V226 HydrophobicContact CG-CG2 3.59Å; Y105-M274 PolarHBondContact OH-SD 3.26Å |
| 106 | W | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 8.6 | 178.8 | -44.8 | -88.7 | 0 | 0 | 0 | 115.2 | G104 L135 A136 L141 M144 A180 H183 V215 L218 V226 I230 | G104-W106 PolarHBondContact O-N 3.29Å; G104-W106 VanDerWaalsContact O-N 3.12Å; W106-L135 CarbonylContact O-C 3.57Å; W106-L135 WeakPolarHBondContact O-CA 3.29Å; W106-A136 PolarHBondContact O-N 2.97Å; W106-L141 HydrophobicContact CB-CD1 4.05Å; W106-L141 HydrophobicContact CD2-CD1 4.37Å; W106-L141 HydrophobicContact CD2-CD2 3.95Å; W106-L141 HydrophobicContact CD2-CG 4.25Å; W106-L141 HydrophobicContact CE3-CD2 4.44Å; W106-L141 HydrophobicContact CG-CD1 3.97Å; W106-L141 HydrophobicContact CG-CD2 4.24Å; W106-L141 HydrophobicContact CG-CG 4Å; W106-L141 HydrophobicContact CZ2-CD2 4.16Å; W106-M144 HydrophobicContact CB-CE 4.12Å; W106-M144 HydrophobicContact CB-SD 4.03Å; W106-M144 HydrophobicContact CG-SD 4.36Å; W106-A180 HydrophobicContact CD2-CB 3.78Å; W106-A180 HydrophobicContact CE3-CB 4.34Å; W106-A180 HydrophobicContact CG-CB 4.06Å; W106-A180 HydrophobicContact CZ2-CB 4.01Å; W106-H183 AromaticContact CE2-ND1 3.69Å; W106-H183 HydrophobicContact CZ2-CB 3.9Å; W106-H183 AromaticContact CZ2-CG 3.63Å; W106-H183 AromaticContact CZ2-ND1 3.72Å; W106-H183 AromaticContact NE1-CE1 3.78Å; W106-H183 AromaticContact NE1-CG 3.86Å; W106-H183 AromaticContact NE1-ND1 3.1Å; W106-H183 PolarHBondContact NE1-ND1 3.37Å; W106-H183 VanDerWaalsContact NE1-ND1 3.1Å; W106-V215 HydrophobicContact CH2-CB 4.47Å; W106-V215 HydrophobicContact CH2-CG1 4.43Å; W106-L218 HydrophobicContact CH2-CD1 4.32Å; W106-L218 HydrophobicContact CH2-CD2 3.75Å; W106-L218 HydrophobicContact CH2-CG 3.96Å; W106-L218 HydrophobicContact CZ2-CD1 4.41Å; W106-L218 HydrophobicContact CZ2-CD2 3.91Å; W106-L218 HydrophobicContact CZ2-CG 4.38Å; W106-L218 HydrophobicContact CZ3-CD2 4.42Å; W106-V226 HydrophobicContact CE3-CG1 4.16Å; W106-V226 HydrophobicContact CZ3-CG1 4Å; W106-I230 HydrophobicContact CD2-CD1 4.28Å; W106-I230 HydrophobicContact CE3-CD1 3.4Å; W106-I230 HydrophobicContact CE3-CG1 4.32Å; W106-I230 HydrophobicContact CZ3-CD1 3.61Å |
| 107 | Q | 95.8 | Very high | 97.2 | Very high | 47 Ų | 47 | 12.4 Ų | 12.4 | 22% | 0.22 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -133.3 | -5 | -170.9 | 79.2 | -168.2 | -92 | 0 | 0 | 113.2 | G104 Y105 A229 | G104-Q107 PolarHBondContact O-N 3.26Å; Y105-Q107 PolarHBondContact O-N 2.72Å; Y105-Q107 PolarHBondContact O-NE2 2.88Å; Q107-A229 HydrophobicContact CB-CB 3.77Å; Q107-A229 HydrophobicContact CG-CB 4.35Å |
| 108 | L | 93.7 | Very high | 97.2 | Very high | 63 Ų | 63 | 12.4 Ų | 12.4 | 33% | 0.33 | 7% | 0.068 | S | C | . | . | S | Bend | trans | -138.9 | 168.5 | -179.8 | -64.6 | 173.7 | 0 | 0 | 0 | 109.5 | G104 | G104-L108 WeakPolarHBondContact O-CB 3.4Å; G104-L108 PolarHBondContact O-N 3.17Å |
| 109 | V | 94.9 | Very high | 97.2 | Very high | 25 Ų | 25 | 13.6 Ų | 13.6 | 15% | 0.152 | 8% | 0.075 | C | C | . | . | trans | 65.5 | 145.4 | -175.7 | -169.8 | 0 | 0 | 0 | 0 | 110.2 | L43 H102 E113 | L43-V109 HydrophobicContact CD2-CB 4.49Å; L43-V109 HydrophobicContact CD2-CG2 3.79Å; H102-V109 HydrophobicContact CB-CG1 3.77Å; H102-V109 PolarHBondContact CE1-O 3.1Å; H102-V109 WeakPolarHBondContact ND1-CB 3.12Å; V109-E113 HydrophobicContact CG1-CB 3.9Å | ||
| 110 | G | 95 | Very high | 97.2 | Very high | 8 Ų | 8 | 14.2 Ų | 14.2 | 8% | 0.082 | 8% | 0.08 | C | C | . | . | trans | -153.9 | -155.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | G112 E113 S114 | G110-G112 VanDerWaalsContact C-N 3.25Å; G110-G112 PolarHBondContact O-N 2.93Å; G110-E113 PolarHBondContact N-OE2 2.83Å; G110-E113 PolarHBondContact O-N 2.97Å; G110-S114 WeakPolarHBondContact O-CB 3.43Å; G110-S114 PolarHBondContact O-N 3.41Å; G110-S114 PolarHBondContact O-OG 2.87Å | ||
| 111 | W | 96.1 | Very high | 97.1 | Very high | 65 Ų | 65 | 14.1 Ų | 14.1 | 25% | 0.246 | 8% | 0.079 | C | C | . | . | G | 310 helix | trans | -51.9 | -45.2 | 179.4 | 169.3 | 77.3 | 0 | 0 | 0 | 112.5 | R54 K64 V81 D83 E113 S114 S132 | R54-W111 VanDerWaalsContact NE-CZ2 3.31Å; R54-W111 PolarHBondContact NH2-O 3.16Å; K64-W111 HydrophobicContact CB-CZ2 3.85Å; K64-W111 HydrophobicContact CD-CD2 4.24Å; K64-W111 HydrophobicContact CD-CE3 4.26Å; K64-W111 HydrophobicContact CD-CH2 4.21Å; K64-W111 HydrophobicContact CD-CZ2 4.17Å; K64-W111 HydrophobicContact CD-CZ3 4.25Å; K64-W111 HydrophobicContact CG-CD2 4.19Å; K64-W111 HydrophobicContact CG-CZ2 4.24Å; V81-W111 HydrophobicContact CG2-CB 3.68Å; V81-W111 HydrophobicContact CG2-CG 3.73Å; D83-W111 VanDerWaalsContact CG-NE1 3.26Å; D83-W111 PolarHBondContact OD1-NE1 3.03Å; D83-W111 PolarHBondContact OD2-NE1 3.37Å; W111-E113 PolarHBondContact O-N 2.99Å; W111-S114 PolarHBondContact O-N 3.17Å; W111-S132 WeakPolarHBondContact CA-OG 3.32Å; W111-S132 PolarHBondContact N-OG 3.23Å |
| 112 | G | 96.4 | Very high | 97.1 | Very high | 10 Ų | 10 | 14.1 Ų | 14.1 | 10% | 0.103 | 8% | 0.079 | C | C | . | . | G | 310 helix | trans | -54 | -33.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114 | S50 R54 G110 | S50-G112 WeakPolarHBondContact CB-O 3.46Å; S50-G112 PolarHBondContact OG-O 3.45Å; R54-G112 PolarHBondContact NH1-O 3.45Å; G110-G112 VanDerWaalsContact C-N 3.25Å; G110-G112 PolarHBondContact O-N 2.93Å |
| 113 | E | 97.6 | Very high | 97 | Very high | 14 Ų | 14 | 19 Ų | 19 | 7% | 0.065 | 11% | 0.105 | C | C | . | . | G | 310 helix | trans | -106.8 | -2.6 | -171 | -60.6 | 75 | -148.7 | 0 | 0 | 114.1 | L43 L46 R47 S50 V109 G110 W111 | L43-E113 HydrophobicContact CD2-CG 4.07Å; L46-E113 HydrophobicContact CB-CB 3.76Å; L46-E113 HydrophobicContact CB-CG 4.17Å; L46-E113 HydrophobicContact CD1-CB 4.45Å; R47-E113 HydrophobicContact CB-CG 4.23Å; R47-E113 IonicContact CZ-OE1 3.28Å; R47-E113 IonicContact NE-OE1 3.78Å; R47-E113 PolarHBondContact NE-OE1 3.15Å; R47-E113 IonicContact NH2-OE1 3.3Å; R47-E113 PolarHBondContact NH2-OE1 2.98Å; S50-E113 PolarHBondContact OG-O 2.9Å; V109-E113 HydrophobicContact CG1-CB 3.9Å; G110-E113 PolarHBondContact N-OE2 2.83Å; G110-E113 PolarHBondContact O-N 2.97Å; W111-E113 PolarHBondContact O-N 2.99Å |
| 114 | S | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 5.1 | -166 | -63.8 | 0 | 0 | 0 | 0 | 115.4 | S50 Y100 H102 G110 W111 S130 | S50-S114 PolarHBondContact OG-N 3.08Å; Y100-S114 WeakPolarHBondContact CD1-O 3.44Å; H102-S114 WeakPolarHBondContact CB-OG 3.48Å; H102-S114 PolarHBondContact CD2-OG 3.22Å; G110-S114 WeakPolarHBondContact O-CB 3.43Å; G110-S114 PolarHBondContact O-N 3.41Å; G110-S114 PolarHBondContact O-OG 2.87Å; W111-S114 PolarHBondContact O-N 3.17Å; S114-S130 WeakPolarHBondContact O-CB 3.5Å |
| 115 | S | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | 19.2 | -179.2 | -62.2 | 0 | 0 | 0 | 0 | 112.4 | S50 S53 R54 D83 W117 A118 S130 | S50-S115 PolarHBondContact OG-N 3.49Å; S53-S115 WeakPolarHBondContact CB-O 3.17Å; S53-S115 PolarHBondContact OG-O 3.18Å; R54-S115 PolarHBondContact NH2-OG 3.39Å; D83-S115 PolarHBondContact OD2-OG 2.71Å; S115-W117 PolarHBondContact O-N 3.36Å; S115-W117 VanDerWaalsContact O-N 3.13Å; S115-A118 PolarHBondContact O-N 3.23Å; S115-S130 PolarHBondContact OG-OG 2.89Å |
| 116 | N | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -22.5 | -168.9 | 66 | -65.4 | 0 | 0 | 0 | 114.1 | L46 Q49 S50 L316 H320 | L46-N116 HydrophobicContact CD2-CB 4.01Å; Q49-N116 HydrophobicContact CB-CB 3.59Å; S50-N116 PolarHBondContact OG-N 2.98Å; N116-L316 PolarHBondContact ND2-O 3.24Å; N116-H320 PolarHBondContact O-ND1 2.81Å |
| 117 | W | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.1 | 24.4 | -175.6 | 65.9 | -67.4 | 0 | 0 | 0 | 113.5 | V98 Y100 S115 P120 V121 F128 F176 L319 L329 I332 | V98-W117 HydrophobicContact CG1-CH2 3.88Å; V98-W117 HydrophobicContact CG1-CZ3 4.41Å; Y100-W117 AromaticContact CD1-NE1 3.47Å; Y100-W117 HydrophobicContact CD2-CZ2 4.06Å; Y100-W117 AromaticContact CD2-NE1 3.97Å; Y100-W117 AromaticContact CE1-NE1 3.84Å; Y100-W117 HydrophobicContact CG-CZ2 4.03Å; Y100-W117 AromaticContact CG-NE1 3.54Å; S115-W117 PolarHBondContact O-N 3.36Å; S115-W117 VanDerWaalsContact O-N 3.13Å; W117-P120 WeakPolarHBondContact O-CD 3.24Å; W117-V121 HydrophobicContact CD2-CG2 4.5Å; W117-V121 HydrophobicContact CE3-CG2 3.55Å; W117-V121 HydrophobicContact CH2-CG2 4.47Å; W117-V121 HydrophobicContact CZ3-CG2 3.54Å; W117-F128 AromaticContact CD2-CE2 3.87Å; W117-F128 HydrophobicContact CD2-CE2 3.87Å; W117-F128 HydrophobicContact CD2-CZ 4.42Å; W117-F128 AromaticContact CE2-CE2 3.56Å; W117-F128 HydrophobicContact CE3-CE2 4.36Å; W117-F128 HydrophobicContact CG-CE2 4.32Å; W117-F128 HydrophobicContact CG-CZ 4.47Å; W117-F128 HydrophobicContact CH2-CE2 4.33Å; W117-F128 AromaticContact CZ2-CE2 3.83Å; W117-F128 HydrophobicContact CZ2-CE2 3.83Å; W117-F128 AromaticContact NE1-CE2 3.79Å; W117-F128 AromaticContact NE1-CZ 3.74Å; W117-F176 HydrophobicContact CH2-CB 4.15Å; W117-F176 HydrophobicContact CH2-CD1 4.4Å; W117-F176 AromaticContact CH2-CD2 3.97Å; W117-F176 HydrophobicContact CH2-CD2 3.97Å; W117-F176 HydrophobicContact CH2-CE2 4.47Å; W117-F176 AromaticContact CH2-CG 3.92Å; W117-F176 HydrophobicContact CH2-CG 3.92Å; W117-F176 HydrophobicContact CZ2-CB 4.17Å; W117-F176 AromaticContact CZ2-CD1 3.89Å; W117-F176 HydrophobicContact CZ2-CD1 3.89Å; W117-F176 HydrophobicContact CZ2-CD2 4.28Å; W117-F176 HydrophobicContact CZ2-CE1 4.22Å; W117-F176 AromaticContact CZ2-CG 3.85Å; W117-F176 HydrophobicContact CZ2-CG 3.85Å; W117-L319 HydrophobicContact CB-CB 3.46Å; W117-L319 VanDerWaalsContact CB-CB 3.46Å; W117-L319 HydrophobicContact CB-CD1 4.47Å; W117-L319 HydrophobicContact CD2-CB 4.1Å; W117-L319 HydrophobicContact CD2-CD1 3.72Å; W117-L319 HydrophobicContact CD2-CG 4.42Å; W117-L319 HydrophobicContact CE3-CB 4.35Å; W117-L319 HydrophobicContact CE3-CD1 4.22Å; W117-L319 HydrophobicContact CG-CB 3.75Å; W117-L319 HydrophobicContact CG-CD1 3.84Å; W117-L319 HydrophobicContact CG-CG 4.42Å; W117-L319 HydrophobicContact CZ2-CD1 4.35Å; W117-L329 HydrophobicContact CE3-CD1 3.86Å; W117-L329 HydrophobicContact CZ3-CD1 3.89Å; W117-I332 HydrophobicContact CH2-CD1 4.04Å; W117-I332 HydrophobicContact CZ3-CD1 4.01Å |
| 118 | A | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.3 | -44.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F85 S115 V121 T122 F128 | F85-A118 HydrophobicContact CD1-CB 3.94Å; F85-A118 HydrophobicContact CD2-CB 3.84Å; F85-A118 HydrophobicContact CE1-CB 4Å; F85-A118 HydrophobicContact CE2-CB 3.86Å; F85-A118 HydrophobicContact CG-CB 3.88Å; F85-A118 HydrophobicContact CZ-CB 3.97Å; S115-A118 PolarHBondContact O-N 3.23Å; A118-V121 PolarHBondContact O-N 2.66Å; A118-V121 VanDerWaalsContact O-N 3.13Å; A118-T122 WeakPolarHBondContact O-CG2 3.47Å; A118-T122 PolarHBondContact O-N 2.98Å; A118-T122 PolarHBondContact O-OG1 3.1Å; A118-F128 HydrophobicContact CB-CB 4.22Å; A118-F128 HydrophobicContact CB-CD1 3.34Å; A118-F128 HydrophobicContact CB-CE1 3.79Å; A118-F128 HydrophobicContact CB-CG 3.84Å |
| 119 | V | 98.2 | Very high | 97.3 | Very high | 25 Ų | 25 | 16.9 Ų | 16.9 | 15% | 0.152 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -58.1 | -48.3 | -174.2 | 171.3 | 0 | 0 | 0 | 0 | 113 | F52 Q56 F57 V121 T122 N123 | F52-V119 HydrophobicContact CD1-CG2 4.37Å; F52-V119 HydrophobicContact CE1-CG2 4.05Å; Q56-V119 HydrophobicContact CB-CG2 4.37Å; Q56-V119 HydrophobicContact CG-CG2 4.28Å; F57-V119 HydrophobicContact CE2-CG2 4.11Å; V119-V121 VanDerWaalsContact C-N 3.31Å; V119-V121 PolarHBondContact O-N 2.63Å; V119-T122 WeakPolarHBondContact CA-OG1 3.36Å; V119-T122 PolarHBondContact O-N 3.26Å; V119-T122 PolarHBondContact O-OG1 3.44Å; V119-N123 WeakPolarHBondContact O-CB 3.36Å; V119-N123 PolarHBondContact O-N 2.92Å; V119-N123 PolarHBondContact O-ND2 2.89Å |
| 120 | P | 97.9 | Very high | 97.5 | Very high | 14 Ų | 14 | 15.7 Ų | 15.7 | 9% | 0.091 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63 | -33 | 176.7 | -28.6 | 38.5 | 0 | 0 | 0 | 114.6 | W117 A124 L319 H320 L329 | W117-P120 WeakPolarHBondContact O-CD 3.24Å; P120-A124 PolarHBondContact O-N 3.36Å; P120-L319 WeakPolarHBondContact CG-O 3.47Å; P120-H320 WeakPolarHBondContact CG-O 3.29Å; P120-L329 HydrophobicContact CB-CD2 3.63Å; P120-L329 HydrophobicContact CG-CD2 4.2Å |
| 121 | V | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -71.7 | -44 | 177.3 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | V98 W117 A118 V119 N123 A124 F128 | V98-V121 HydrophobicContact CB-CG1 3.85Å; V98-V121 HydrophobicContact CG2-CG1 3.7Å; W117-V121 HydrophobicContact CD2-CG2 4.5Å; W117-V121 HydrophobicContact CE3-CG2 3.55Å; W117-V121 HydrophobicContact CH2-CG2 4.47Å; W117-V121 HydrophobicContact CZ3-CG2 3.54Å; A118-V121 PolarHBondContact O-N 2.66Å; A118-V121 VanDerWaalsContact O-N 3.13Å; V119-V121 VanDerWaalsContact C-N 3.31Å; V119-V121 PolarHBondContact O-N 2.63Å; V121-N123 VanDerWaalsContact C-N 3.27Å; V121-N123 PolarHBondContact O-N 3.06Å; V121-A124 CarbonylContact O-C 3.53Å; V121-A124 WeakPolarHBondContact O-CA 3.44Å; V121-A124 WeakPolarHBondContact O-CB 3.45Å; V121-A124 PolarHBondContact O-N 3.48Å; V121-F128 HydrophobicContact CB-CB 4.1Å; V121-F128 HydrophobicContact CB-CD2 3.98Å; V121-F128 HydrophobicContact CB-CG 4.43Å; V121-F128 HydrophobicContact CG1-CB 3.88Å; V121-F128 HydrophobicContact CG1-CD2 4.1Å; V121-F128 HydrophobicContact CG1-CG 4.49Å; V121-F128 HydrophobicContact CG2-CD2 3.9Å; V121-F128 HydrophobicContact CG2-CE2 4.49Å |
| 122 | T | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -68.5 | -29.1 | 178.9 | 58.4 | 0 | 0 | 0 | 0 | 112.4 | F57 F85 P86 S88 A118 V119 A124 D125 S126 F128 | F57-T122 HydrophobicContact CE1-CG2 4.31Å; F57-T122 HydrophobicContact CE2-CG2 4.47Å; F57-T122 HydrophobicContact CZ-CG2 3.95Å; F57-T122 WeakPolarHBondContact CZ-OG1 3.32Å; F85-T122 HydrophobicContact CB-CG2 3.72Å; P86-T122 WeakPolarHBondContact O-CB 3.36Å; P86-T122 WeakPolarHBondContact O-CG2 3.41Å; S88-T122 PolarHBondContact N-O 3.12Å; S88-T122 VanDerWaalsContact OG-C 3.28Å; S88-T122 PolarHBondContact OG-O 2.99Å; S88-T122 PolarHBondContact OG-OG1 3.02Å; S88-T122 VanDerWaalsContact OG-OG1 3.07Å; A118-T122 WeakPolarHBondContact O-CG2 3.47Å; A118-T122 PolarHBondContact O-N 2.98Å; A118-T122 PolarHBondContact O-OG1 3.1Å; V119-T122 WeakPolarHBondContact CA-OG1 3.36Å; V119-T122 PolarHBondContact O-N 3.26Å; V119-T122 PolarHBondContact O-OG1 3.44Å; T122-A124 PolarHBondContact O-N 3.43Å; T122-D125 PolarHBondContact O-N 3.47Å; T122-S126 WeakPolarHBondContact CA-O 3.36Å; T122-F128 HydrophobicContact CG2-CB 4.15Å |
| 123 | N | 96.6 | Very high | 97.8 | Very high | 103 Ų | 103 | 11.7 Ų | 11.7 | 55% | 0.551 | 7% | 0.066 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70 | -14.9 | 170.5 | -73.4 | -11.9 | 0 | 0 | 0 | 113.3 | S88 V119 V121 D125 | S88-N123 VanDerWaalsContact CB-OD1 3.29Å; S88-N123 WeakPolarHBondContact CB-OD1 3.36Å; S88-N123 PolarHBondContact OG-N 3.37Å; S88-N123 PolarHBondContact OG-OD1 3.46Å; V119-N123 WeakPolarHBondContact O-CB 3.36Å; V119-N123 PolarHBondContact O-N 2.92Å; V119-N123 PolarHBondContact O-ND2 2.89Å; V121-N123 VanDerWaalsContact C-N 3.27Å; V121-N123 PolarHBondContact O-N 3.06Å; N123-D125 VanDerWaalsContact C-N 3.32Å |
| 124 | A | 95.8 | Very high | 97.7 | Very high | 13 Ų | 13 | 11.3 Ų | 11.3 | 11% | 0.107 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 38.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | P120 V121 T122 S126 I333 | P120-A124 PolarHBondContact O-N 3.36Å; V121-A124 CarbonylContact O-C 3.53Å; V121-A124 WeakPolarHBondContact O-CA 3.44Å; V121-A124 WeakPolarHBondContact O-CB 3.45Å; V121-A124 PolarHBondContact O-N 3.48Å; T122-A124 PolarHBondContact O-N 3.43Å; A124-S126 PolarHBondContact O-N 3.5Å; A124-S126 PolarHBondContact O-OG 2.95Å; A124-I333 HydrophobicContact CB-CD1 3.57Å; A124-I333 HydrophobicContact CB-CG1 4.36Å; A124-I333 HydrophobicContact CB-CG2 4.02Å |
| 125 | D | 95.9 | Very high | 97.6 | Very high | 77 Ų | 77 | 11.8 Ų | 11.8 | 41% | 0.412 | 7% | 0.066 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 24.7 | 170.1 | -61.9 | -22 | 0 | 0 | 0 | 115.2 | I92 T122 N123 | I92-D125 HydrophobicContact CG2-CB 4.01Å; T122-D125 PolarHBondContact O-N 3.47Å; N123-D125 VanDerWaalsContact C-N 3.32Å |
| 126 | S | 97.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.068 | C | C | . | . | trans | -120.5 | 152.8 | -171.9 | -60.6 | 0 | 0 | 0 | 0 | 111.8 | N96 T122 A124 I336 | N96-S126 WeakPolarHBondContact CB-OG 3.32Å; T122-S126 WeakPolarHBondContact CA-O 3.36Å; A124-S126 PolarHBondContact O-N 3.5Å; A124-S126 PolarHBondContact O-OG 2.95Å; S126-I336 WeakPolarHBondContact OG-CD1 3.32Å | ||
| 127 | I | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 134.7 | 166.9 | -66.4 | 163.2 | 0 | 0 | 0 | 107.9 | W84 F85 P94 N96 I97 V98 V129 T159 F163 | W84-I127 HydrophobicContact CD2-CG2 4.32Å; W84-I127 HydrophobicContact CZ2-CD1 3.74Å; W84-I127 HydrophobicContact CZ2-CG1 3.94Å; W84-I127 HydrophobicContact CZ2-CG2 4Å; F85-I127 WeakPolarHBondContact O-CA 3.41Å; F85-I127 WeakPolarHBondContact O-CG2 3.49Å; P94-I127 HydrophobicContact CB-CD1 3.9Å; P94-I127 HydrophobicContact CB-CG1 3.84Å; P94-I127 HydrophobicContact CG-CD1 3.52Å; P94-I127 HydrophobicContact CG-CG1 3.81Å; N96-I127 PolarHBondContact O-N 3.33Å; I97-I127 WeakPolarHBondContact CA-O 3.45Å; I97-I127 HydrophobicContact CB-CB 4.43Å; I97-I127 HydrophobicContact CD1-CD1 4.44Å; I97-I127 HydrophobicContact CG1-CB 4.18Å; I97-I127 HydrophobicContact CG1-CD1 4.06Å; I97-I127 HydrophobicContact CG2-CB 4.25Å; I97-I127 HydrophobicContact CG2-CG2 3.97Å; V98-I127 PolarHBondContact N-O 3.38Å; I127-V129 HydrophobicContact CG2-CG2 3.97Å; I127-T159 HydrophobicContact CD1-CG2 3.49Å; I127-T159 VanDerWaalsContact CD1-CG2 3.49Å; I127-F163 HydrophobicContact CD1-CD2 4.28Å; I127-F163 HydrophobicContact CD1-CE2 3.86Å; I127-F163 HydrophobicContact CG1-CE2 4.19Å |
| 128 | F | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 137.6 | 167 | -179.3 | -93.8 | 0 | 0 | 0 | 110.4 | F85 V98 Y100 W117 A118 V121 T122 | F85-F128 HydrophobicContact CB-CB 4.27Å; F85-F128 AromaticContact CD2-CD1 3.7Å; F85-F128 HydrophobicContact CD2-CD1 3.7Å; F85-F128 HydrophobicContact CE2-CD1 4.04Å; F85-F128 HydrophobicContact CE2-CE1 4.42Å; F85-F128 PolarHBondContact N-O 3.03Å; F85-F128 PolarHBondContact O-N 2.98Å; V98-F128 HydrophobicContact CG1-CD2 4.49Å; V98-F128 WeakPolarHBondContact O-CA 3.39Å; Y100-F128 HydrophobicContact CD1-CZ 4.21Å; Y100-F128 HydrophobicContact CG-CZ 4.34Å; W117-F128 AromaticContact CD2-CE2 3.87Å; W117-F128 HydrophobicContact CD2-CE2 3.87Å; W117-F128 HydrophobicContact CD2-CZ 4.42Å; W117-F128 AromaticContact CE2-CE2 3.56Å; W117-F128 HydrophobicContact CE3-CE2 4.36Å; W117-F128 HydrophobicContact CG-CE2 4.32Å; W117-F128 HydrophobicContact CG-CZ 4.47Å; W117-F128 HydrophobicContact CH2-CE2 4.33Å; W117-F128 AromaticContact CZ2-CE2 3.83Å; W117-F128 HydrophobicContact CZ2-CE2 3.83Å; W117-F128 AromaticContact NE1-CE2 3.79Å; W117-F128 AromaticContact NE1-CZ 3.74Å; A118-F128 HydrophobicContact CB-CB 4.22Å; A118-F128 HydrophobicContact CB-CD1 3.34Å; A118-F128 HydrophobicContact CB-CE1 3.79Å; A118-F128 HydrophobicContact CB-CG 3.84Å; V121-F128 HydrophobicContact CB-CB 4.1Å; V121-F128 HydrophobicContact CB-CD2 3.98Å; V121-F128 HydrophobicContact CB-CG 4.43Å; V121-F128 HydrophobicContact CG1-CB 3.88Å; V121-F128 HydrophobicContact CG1-CD2 4.1Å; V121-F128 HydrophobicContact CG1-CG 4.49Å; V121-F128 HydrophobicContact CG2-CD2 3.9Å; V121-F128 HydrophobicContact CG2-CE2 4.49Å; T122-F128 HydrophobicContact CG2-CB 4.15Å |
| 129 | V | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 135.1 | 172.1 | 179.8 | 0 | 0 | 0 | 0 | 109.5 | L82 D83 W84 I97 V98 V99 Y100 I127 L131 V155 | L82-V129 HydrophobicContact CB-CG1 4.35Å; D83-V129 VanDerWaalsContact O-CA 3.26Å; D83-V129 WeakPolarHBondContact O-CA 3.38Å; D83-V129 WeakPolarHBondContact O-CG1 3.41Å; W84-V129 HydrophobicContact CG-CG2 4.28Å; I97-V129 HydrophobicContact CG2-CG2 4.01Å; V98-V129 PolarHBondContact O-N 3.49Å; V99-V129 CarbonylContact C-O 3.48Å; V99-V129 WeakPolarHBondContact CA-O 3.08Å; V99-V129 HydrophobicContact CG1-CB 4.28Å; V99-V129 HydrophobicContact CG1-CG1 4.26Å; V99-V129 HydrophobicContact CG2-CB 4.23Å; Y100-V129 PolarHBondContact N-O 3.2Å; I127-V129 HydrophobicContact CG2-CG2 3.97Å; V129-L131 HydrophobicContact CG1-CD2 4.11Å; V129-L131 HydrophobicContact CG1-CG 4.28Å; V129-V155 HydrophobicContact CB-CG2 4.4Å; V129-V155 HydrophobicContact CG1-CG2 3.59Å; V129-V155 HydrophobicContact CG2-CG1 3.92Å; V129-V155 HydrophobicContact CG2-CG2 4.22Å |
| 130 | S | 98.8 | Very high | 96.8 | 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 | -106.8 | 131 | 161.9 | 62.6 | 0 | 0 | 0 | 0 | 109.9 | L82 D83 S114 S115 | L82-S130 WeakPolarHBondContact CA-O 3.28Å; L82-S130 WeakPolarHBondContact CB-O 3.36Å; D83-S130 PolarHBondContact N-O 2.87Å; D83-S130 VanDerWaalsContact N-O 3.13Å; D83-S130 PolarHBondContact O-N 2.92Å; D83-S130 VanDerWaalsContact O-N 3.1Å; S114-S130 WeakPolarHBondContact O-CB 3.5Å; S115-S130 PolarHBondContact OG-OG 2.89Å |
| 131 | L | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 122.3 | 173.3 | -67.3 | 179.2 | 0 | 0 | 0 | 109.3 | F67 L82 V99 Y100 I101 V129 L148 M152 V155 | F67-L131 HydrophobicContact CE1-CD2 4.08Å; L82-L131 HydrophobicContact CB-CD2 3.6Å; L82-L131 HydrophobicContact CD2-CD2 4.08Å; V99-L131 HydrophobicContact CG1-CD1 3.64Å; V99-L131 HydrophobicContact CG1-CG 3.75Å; Y100-L131 PolarHBondContact O-N 3.12Å; I101-L131 HydrophobicContact CG1-CB 4.45Å; V129-L131 HydrophobicContact CG1-CD2 4.11Å; V129-L131 HydrophobicContact CG1-CG 4.28Å; L131-L148 HydrophobicContact CB-CD2 3.73Å; L131-L148 HydrophobicContact CD1-CD2 4.11Å; L131-M152 HydrophobicContact CD1-CG 4.16Å; L131-M152 HydrophobicContact CD1-SD 3.79Å; L131-V155 HydrophobicContact CD2-CG2 4.12Å |
| 132 | S | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -103.2 | 151.7 | 171 | -57.7 | 0 | 0 | 0 | 0 | 110.6 | F67 D79 V81 W111 | F67-S132 WeakPolarHBondContact CZ-O 3.48Å; D79-S132 CarbonylContact O-C 3.53Å; D79-S132 WeakPolarHBondContact O-CB 3.31Å; V81-S132 WeakPolarHBondContact O-CB 3.05Å; V81-S132 PolarHBondContact O-N 3.47Å; W111-S132 WeakPolarHBondContact CA-OG 3.32Å; W111-S132 PolarHBondContact N-OG 3.23Å | ||
| 133 | Y | 97 | Very high | 96.5 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -132.7 | 169.7 | -177 | 51.5 | -85.6 | 0 | 0 | 0 | 110 | D79 I101 H102 L135 M144 L148 L184 | D79-Y133 PolarHBondContact O-N 3.23Å; I101-Y133 HydrophobicContact CG2-CD1 4.12Å; I101-Y133 HydrophobicContact CG2-CE1 3.75Å; H102-Y133 AromaticContact CD2-CE1 3.93Å; H102-Y133 AromaticContact CE1-CE1 3.49Å; H102-Y133 VanDerWaalsContact CE1-CE1 3.49Å; H102-Y133 WeakPolarHBondContact CE1-CE1 3.32Å; H102-Y133 AromaticContact CE1-CZ 3.48Å; H102-Y133 VanDerWaalsContact CE1-CZ 3.48Å; H102-Y133 AromaticContact ND1-CE1 3.88Å; H102-Y133 AromaticContact ND1-CZ 3.89Å; H102-Y133 AromaticContact NE2-CD1 3.9Å; H102-Y133 AromaticContact NE2-CE1 3.51Å; H102-Y133 AromaticContact NE2-CZ 3.97Å; H102-Y133 PolarHBondContact O-OH 3.48Å; Y133-L135 HydrophobicContact CD2-CD2 4.34Å; Y133-L135 HydrophobicContact CE2-CD2 3.93Å; Y133-M144 HydrophobicContact CD2-CB 4.29Å; Y133-M144 HydrophobicContact CD2-CG 4.06Å; Y133-M144 HydrophobicContact CD2-SD 3.75Å; Y133-M144 HydrophobicContact CE2-SD 3.89Å; Y133-L148 HydrophobicContact CD1-CD1 4.39Å; Y133-L148 HydrophobicContact CD1-CD2 4.36Å; Y133-L184 HydrophobicContact CD1-CD1 3.87Å; Y133-L184 HydrophobicContact CD2-CD1 3.97Å; Y133-L184 HydrophobicContact CE1-CD1 3.41Å; Y133-L184 VanDerWaalsContact CE1-CD1 3.41Å; Y133-L184 HydrophobicContact CE2-CD1 3.54Å; Y133-L184 HydrophobicContact CG-CD1 4.14Å | ||
| 134 | R | 96 | Very high | 96.5 | Very high | 6 Ų | 6 | 27.5 Ų | 27.5 | 2% | 0.023 | 14% | 0.141 | C | C | . | . | B | Isolated β-bridge | trans | -78.9 | 147.5 | 174.6 | -61.5 | -77.8 | -73.7 | 154.8 | -3.2 | 109.8 | D75 Y77 G78 Y80 E139 M144 | D75-R134 VanDerWaalsContact CG-NH2 3.25Å; D75-R134 IonicContact OD1-CZ 2.73Å; D75-R134 VanDerWaalsContact OD1-CZ 3.3Å; D75-R134 IonicContact OD1-NH1 3.18Å; D75-R134 PolarHBondContact OD1-NH1 3.38Å; D75-R134 IonicContact OD1-NH2 2.69Å; D75-R134 PolarHBondContact OD1-NH2 3.05Å; D75-R134 IonicContact OD2-CZ 3.71Å; D75-R134 IonicContact OD2-NH1 3.62Å; D75-R134 IonicContact OD2-NH2 2.72Å; D75-R134 PolarHBondContact OD2-NH2 3.48Å; Y77-R134 CarbonylContact O-C 3.34Å; Y77-R134 VanDerWaalsContact O-CA 3.32Å; Y77-R134 WeakPolarHBondContact O-CA 3.48Å; Y77-R134 PolarHBondContact O-NH1 3.21Å; G78-R134 WeakPolarHBondContact O-CD 3.41Å; G78-R134 PolarHBondContact O-NH1 3.4Å; Y80-R134 HydrophobicContact CD1-CG 4.08Å; Y80-R134 HydrophobicContact CD2-CG 3.7Å; Y80-R134 HydrophobicContact CE1-CB 4.07Å; Y80-R134 HydrophobicContact CE1-CG 3.67Å; Y80-R134 HydrophobicContact CE2-CB 4.33Å; Y80-R134 HydrophobicContact CE2-CG 3.27Å; Y80-R134 HydrophobicContact CG-CG 4.09Å; R134-E139 HydrophobicContact CB-CB 3.74Å; R134-E139 HydrophobicContact CB-CG 4.48Å; R134-E139 VanDerWaalsContact CB-OE2 3.28Å; R134-E139 WeakPolarHBondContact CB-OE2 3.22Å; R134-E139 PolarHBondContact N-OE2 3.25Å; R134-M144 WeakPolarHBondContact O-CE 3.24Å |
| 135 | L | 96.8 | Very high | 96.5 | Very high | 10 Ų | 10 | 26.9 Ų | 26.9 | 5% | 0.052 | 14% | 0.136 | C | C | . | . | P | Polyproline II helix | trans | -98.7 | 151.4 | -170.7 | -60.3 | 176.2 | 0 | 0 | 0 | 111.4 | Y77 W106 Y133 K138 E139 | Y77-L135 HydrophobicContact CD1-CB 4.48Å; Y77-L135 PolarHBondContact O-N 3.4Å; W106-L135 CarbonylContact O-C 3.57Å; W106-L135 WeakPolarHBondContact O-CA 3.29Å; Y133-L135 HydrophobicContact CD2-CD2 4.34Å; Y133-L135 HydrophobicContact CE2-CD2 3.93Å; L135-K138 WeakPolarHBondContact O-CB 3.43Å; L135-K138 PolarHBondContact O-N 3.34Å; L135-E139 PolarHBondContact O-N 3.11Å; L135-E139 VanDerWaalsContact O-N 3.13Å |
| 136 | A | 96.8 | Very high | 96.6 | Very high | 4 Ų | 4 | 27.1 Ų | 27.1 | 3% | 0.033 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 147.4 | 168 | 0 | 0 | 0 | 0 | 0 | 110.6 | W106 K138 M144 A229 | W106-A136 PolarHBondContact O-N 2.97Å; A136-K138 VanDerWaalsContact C-N 3.32Å; A136-M144 HydrophobicContact CB-CE 4.13Å; A136-A229 HydrophobicContact CB-CB 4.13Å |
| 137 | P | 93.9 | Very high | 96.5 | Very high | 69 Ų | 69 | 27.8 Ų | 27.8 | 45% | 0.448 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -82.7 | -0.4 | 2.4 | 35 | -36.9 | 0 | 0 | 0 | 114 | Y77 E139 A229 | Y77-P137 HydrophobicContact CE1-CG 4.5Å; P137-E139 VanDerWaalsContact C-N 3.31Å; P137-E139 PolarHBondContact O-N 3.33Å; P137-A229 VanDerWaalsContact CA-O 3.3Å; P137-A229 WeakPolarHBondContact CA-O 3.43Å; P137-A229 VanDerWaalsContact CB-O 3.28Å; P137-A229 WeakPolarHBondContact CB-O 3.4Å |
| 138 | K | 93.7 | Very high | 96.5 | Very high | 128 Ų | 128 | 27.8 Ų | 27.8 | 56% | 0.557 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70 | -31.9 | -171.6 | -172.2 | 59.9 | 176.5 | -161.3 | 0 | 112.4 | Y77 L135 A136 | Y77-K138 HydrophobicContact CD1-CB 4.23Å; Y77-K138 HydrophobicContact CD2-CB 4.27Å; Y77-K138 HydrophobicContact CG-CB 3.83Å; Y77-K138 HydrophobicContact CG-CG 4.48Å; L135-K138 WeakPolarHBondContact O-CB 3.43Å; L135-K138 PolarHBondContact O-N 3.34Å; A136-K138 VanDerWaalsContact C-N 3.32Å |
| 139 | E | 94.1 | Very high | 96.5 | Very high | 15 Ų | 15 | 28 Ų | 28 | 7% | 0.07 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -120.8 | 145.7 | 171.5 | -178.4 | 169 | -138.4 | 0 | 0 | 111.3 | Y80 R134 L135 P137 A143 M144 | Y80-E139 WeakPolarHBondContact CE1-OE2 3.43Å; Y80-E139 PolarHBondContact OH-OE1 3.27Å; Y80-E139 PolarHBondContact OH-OE2 3.13Å; R134-E139 HydrophobicContact CB-CB 3.74Å; R134-E139 HydrophobicContact CB-CG 4.48Å; R134-E139 VanDerWaalsContact CB-OE2 3.28Å; R134-E139 WeakPolarHBondContact CB-OE2 3.22Å; R134-E139 PolarHBondContact N-OE2 3.25Å; L135-E139 PolarHBondContact O-N 3.11Å; L135-E139 VanDerWaalsContact O-N 3.13Å; P137-E139 VanDerWaalsContact C-N 3.31Å; P137-E139 PolarHBondContact O-N 3.33Å; E139-A143 HydrophobicContact CG-CB 3.82Å; E139-A143 WeakPolarHBondContact OE1-CB 3.22Å; E139-M144 HydrophobicContact CB-CE 4.13Å; E139-M144 HydrophobicContact CB-CG 4.35Å; E139-M144 HydrophobicContact CG-CE 4.33Å; E139-M144 HydrophobicContact CG-CG 3.7Å; E139-M144 VanDerWaalsContact O-CE 3.22Å; E139-M144 WeakPolarHBondContact O-CE 3.18Å; E139-M144 PolarHBondContact OE1-N 2.95Å; E139-M144 VanDerWaalsContact OE2-CG 3.28Å; E139-M144 WeakPolarHBondContact OE2-CG 3.5Å |
| 140 | K | 95.3 | Very high | 96.4 | Very high | 160 Ų | 160 | 31.4 Ų | 31.4 | 70% | 0.696 | 16% | 0.159 | S | C | * | . | trans | -85.3 | 147.5 | 171.2 | -65.4 | -172.8 | 174.7 | -171.9 | 0 | 110.7 | E142 A143 M144 | K140-E142 VanDerWaalsContact C-N 3.25Å; K140-E142 PolarHBondContact O-N 3.13Å; K140-E142 VanDerWaalsContact O-N 3.16Å; K140-A143 WeakPolarHBondContact O-CB 3.47Å; K140-A143 PolarHBondContact O-N 3.02Å; K140-M144 PolarHBondContact O-N 3.2Å; K140-M144 VanDerWaalsContact O-N 3.12Å | ||
| 141 | L | 96.2 | Very high | 96.4 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 2% | 0.016 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -54.8 | -38.1 | -176.1 | -89 | 59.9 | 0 | 0 | 0 | 113.2 | W106 A143 M144 S145 L218 I230 F232 V241 | W106-L141 HydrophobicContact CB-CD1 4.05Å; W106-L141 HydrophobicContact CD2-CD1 4.37Å; W106-L141 HydrophobicContact CD2-CD2 3.95Å; W106-L141 HydrophobicContact CD2-CG 4.25Å; W106-L141 HydrophobicContact CE3-CD2 4.44Å; W106-L141 HydrophobicContact CG-CD1 3.97Å; W106-L141 HydrophobicContact CG-CD2 4.24Å; W106-L141 HydrophobicContact CG-CG 4Å; W106-L141 HydrophobicContact CZ2-CD2 4.16Å; L141-A143 VanDerWaalsContact C-N 3.33Å; L141-A143 PolarHBondContact O-N 3.31Å; L141-M144 HydrophobicContact CD1-CE 3.98Å; L141-M144 HydrophobicContact CD1-SD 4.21Å; L141-M144 HydrophobicContact CG-SD 4.35Å; L141-M144 WeakPolarHBondContact O-CB 3.47Å; L141-M144 PolarHBondContact O-N 3.09Å; L141-S145 PolarHBondContact O-N 3.47Å; L141-L218 HydrophobicContact CD2-CD2 3.46Å; L141-L218 VanDerWaalsContact CD2-CD2 3.46Å; L141-I230 HydrophobicContact CD1-CD1 4.37Å; L141-I230 HydrophobicContact CD1-CG1 4.16Å; L141-I230 HydrophobicContact CD1-CG2 3.82Å; L141-I230 HydrophobicContact CD2-CD1 4.34Å; L141-I230 HydrophobicContact CD2-CG2 4.46Å; L141-F232 HydrophobicContact CD2-CZ 4.16Å; L141-V241 HydrophobicContact CD2-CG2 4.29Å |
| 142 | E | 94.3 | Very high | 96.4 | Very high | 61 Ų | 61 | 31.4 Ų | 31.4 | 29% | 0.285 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -58.6 | -45.2 | 176.5 | -62.3 | 88.2 | 156 | 0 | 0 | 111.9 | K140 M144 S145 Q146 V241 | K140-E142 VanDerWaalsContact C-N 3.25Å; K140-E142 PolarHBondContact O-N 3.13Å; K140-E142 VanDerWaalsContact O-N 3.16Å; E142-M144 VanDerWaalsContact C-N 3.34Å; E142-S145 PolarHBondContact O-N 3.3Å; E142-Q146 WeakPolarHBondContact O-CG 3.26Å; E142-Q146 PolarHBondContact O-N 3.36Å; E142-V241 HydrophobicContact CG-CG1 3.46Å; E142-V241 VanDerWaalsContact CG-CG1 3.46Å; E142-V241 VanDerWaalsContact OE1-CG1 3.22Å; E142-V241 WeakPolarHBondContact OE1-CG1 3.4Å |
| 143 | A | 95.5 | Very high | 96.4 | Very high | 31 Ų | 31 | 33.5 Ų | 33.5 | 26% | 0.256 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -70.3 | -32.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E139 K140 L141 S145 Q146 S147 | E139-A143 HydrophobicContact CG-CB 3.82Å; E139-A143 WeakPolarHBondContact OE1-CB 3.22Å; K140-A143 WeakPolarHBondContact O-CB 3.47Å; K140-A143 PolarHBondContact O-N 3.02Å; L141-A143 VanDerWaalsContact C-N 3.33Å; L141-A143 PolarHBondContact O-N 3.31Å; A143-S145 PolarHBondContact O-N 2.95Å; A143-Q146 PolarHBondContact O-N 3.37Å; A143-S147 WeakPolarHBondContact O-CB 3.41Å; A143-S147 PolarHBondContact O-N 3.28Å; A143-S147 PolarHBondContact O-OG 2.95Å |
| 144 | M | 97.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.4 | -50 | 174.5 | -60.8 | 176 | -169.9 | 0 | 0 | 110.4 | W106 Y133 R134 A136 E139 K140 L141 E142 Q146 S147 L148 L184 | W106-M144 HydrophobicContact CB-CE 4.12Å; W106-M144 HydrophobicContact CB-SD 4.03Å; W106-M144 HydrophobicContact CG-SD 4.36Å; Y133-M144 HydrophobicContact CD2-CB 4.29Å; Y133-M144 HydrophobicContact CD2-CG 4.06Å; Y133-M144 HydrophobicContact CD2-SD 3.75Å; Y133-M144 HydrophobicContact CE2-SD 3.89Å; R134-M144 WeakPolarHBondContact O-CE 3.24Å; A136-M144 HydrophobicContact CB-CE 4.13Å; E139-M144 HydrophobicContact CB-CE 4.13Å; E139-M144 HydrophobicContact CB-CG 4.35Å; E139-M144 HydrophobicContact CG-CE 4.33Å; E139-M144 HydrophobicContact CG-CG 3.7Å; E139-M144 VanDerWaalsContact O-CE 3.22Å; E139-M144 WeakPolarHBondContact O-CE 3.18Å; E139-M144 PolarHBondContact OE1-N 2.95Å; E139-M144 VanDerWaalsContact OE2-CG 3.28Å; E139-M144 WeakPolarHBondContact OE2-CG 3.5Å; K140-M144 PolarHBondContact O-N 3.2Å; K140-M144 VanDerWaalsContact O-N 3.12Å; L141-M144 HydrophobicContact CD1-CE 3.98Å; L141-M144 HydrophobicContact CD1-SD 4.21Å; L141-M144 HydrophobicContact CG-SD 4.35Å; L141-M144 WeakPolarHBondContact O-CB 3.47Å; L141-M144 PolarHBondContact O-N 3.09Å; E142-M144 VanDerWaalsContact C-N 3.34Å; M144-Q146 PolarHBondContact O-N 3.1Å; M144-S147 PolarHBondContact O-N 3.4Å; M144-L148 VanDerWaalsContact O-CG 3.24Å; M144-L148 WeakPolarHBondContact O-CG 3.32Å; M144-L148 PolarHBondContact O-N 3Å; M144-L184 HydrophobicContact CB-CD2 3.8Å; M144-L184 HydrophobicContact SD-CD2 4.45Å |
| 145 | S | 96.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.007 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.2 | -37.1 | -179.1 | -61.3 | 0 | 0 | 0 | 0 | 113.4 | L141 E142 A143 L148 C149 L184 E187 | L141-S145 PolarHBondContact O-N 3.47Å; E142-S145 PolarHBondContact O-N 3.3Å; A143-S145 PolarHBondContact O-N 2.95Å; S145-L148 PolarHBondContact O-N 2.8Å; S145-C149 PolarHBondContact O-N 3.49Å; S145-C149 PolarHBondContact O-SG 2.71Å; S145-L184 WeakPolarHBondContact OG-CD2 3.11Å; S145-E187 WeakPolarHBondContact OG-CB 3.41Å |
| 146 | Q | 96.5 | Very high | 96.6 | Very high | 82 Ų | 82 | 36.2 Ų | 36.2 | 38% | 0.383 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -65.7 | -44.5 | 174.1 | -69.9 | 171.3 | -7.2 | 0 | 0 | 111.4 | E142 A143 M144 L148 C149 L150 W191 | E142-Q146 WeakPolarHBondContact O-CG 3.26Å; E142-Q146 PolarHBondContact O-N 3.36Å; A143-Q146 PolarHBondContact O-N 3.37Å; M144-Q146 PolarHBondContact O-N 3.1Å; Q146-L148 VanDerWaalsContact C-N 3.29Å; Q146-L148 PolarHBondContact O-N 3.48Å; Q146-C149 VanDerWaalsContact O-CB 3.24Å; Q146-C149 WeakPolarHBondContact O-CB 3.3Å; Q146-C149 PolarHBondContact O-N 3.49Å; Q146-C149 VanDerWaalsContact O-N 3.1Å; Q146-L150 PolarHBondContact O-N 3.15Å; Q146-W191 HydrophobicContact CG-CB 4.42Å; Q146-W191 HydrophobicContact CG-CD2 3.71Å; Q146-W191 HydrophobicContact CG-CE3 4.07Å; Q146-W191 HydrophobicContact CG-CG 3.86Å; Q146-W191 VanDerWaalsContact NE2-CZ2 3.35Å; Q146-W191 VanDerWaalsContact NE2-CZ3 3.3Å |
| 147 | S | 96.2 | Very high | 96.6 | Very high | 13 Ų | 13 | 40 Ų | 40 | 9% | 0.091 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.4 | -36.4 | 176.9 | -62.4 | 0 | 0 | 0 | 0 | 111.9 | F67 Y80 A143 M144 C149 L150 G151 | F67-S147 WeakPolarHBondContact CE2-O 3.21Å; Y80-S147 WeakPolarHBondContact CE1-OG 3.38Å; A143-S147 WeakPolarHBondContact O-CB 3.41Å; A143-S147 PolarHBondContact O-N 3.28Å; A143-S147 PolarHBondContact O-OG 2.95Å; M144-S147 PolarHBondContact O-N 3.4Å; S147-C149 VanDerWaalsContact C-N 3.27Å; S147-C149 PolarHBondContact O-N 3.09Å; S147-L150 VanDerWaalsContact O-CB 3.32Å; S147-L150 WeakPolarHBondContact O-CB 3.31Å; S147-L150 PolarHBondContact O-N 2.93Å; S147-L150 VanDerWaalsContact O-N 3.09Å; S147-G151 PolarHBondContact O-N 3.45Å |
| 148 | L | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.3 | -29.3 | 174.7 | -72.7 | 165.4 | 0 | 0 | 0 | 112.9 | I101 L131 Y133 M144 S145 Q146 L150 G151 M152 L184 M188 | I101-L148 HydrophobicContact CD1-CD1 4.05Å; I101-L148 HydrophobicContact CD1-CD2 4.25Å; I101-L148 HydrophobicContact CG2-CD1 4.25Å; L131-L148 HydrophobicContact CB-CD2 3.73Å; L131-L148 HydrophobicContact CD1-CD2 4.11Å; Y133-L148 HydrophobicContact CD1-CD1 4.39Å; Y133-L148 HydrophobicContact CD1-CD2 4.36Å; M144-L148 VanDerWaalsContact O-CG 3.24Å; M144-L148 WeakPolarHBondContact O-CG 3.32Å; M144-L148 PolarHBondContact O-N 3Å; S145-L148 PolarHBondContact O-N 2.8Å; Q146-L148 VanDerWaalsContact C-N 3.29Å; Q146-L148 PolarHBondContact O-N 3.48Å; L148-L150 VanDerWaalsContact C-N 3.33Å; L148-G151 WeakPolarHBondContact O-CA 3.36Å; L148-G151 PolarHBondContact O-N 3.14Å; L148-G151 VanDerWaalsContact O-N 3.15Å; L148-M152 PolarHBondContact O-N 3.48Å; L148-L184 HydrophobicContact CD1-CB 3.86Å; L148-L184 HydrophobicContact CD1-CD1 4.08Å; L148-L184 HydrophobicContact CD1-CD2 4.41Å; L148-L184 HydrophobicContact CD1-CG 4.35Å; L148-M188 HydrophobicContact CB-CB 4.47Å; L148-M188 HydrophobicContact CB-CG 4.03Å; L148-M188 HydrophobicContact CB-SD 3.6Å; L148-M188 VanDerWaalsContact CB-SD 3.6Å |
| 149 | C | 98.3 | Very high | 96.9 | Very high | 6 Ų | 6 | 31.6 Ų | 31.6 | 4% | 0.041 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.2 | -42.9 | 170.2 | -61.4 | 0 | 0 | 0 | 0 | 111.2 | S145 Q146 S147 G151 M152 Q153 M188 N199 | S145-C149 PolarHBondContact O-N 3.49Å; S145-C149 PolarHBondContact O-SG 2.71Å; Q146-C149 VanDerWaalsContact O-CB 3.24Å; Q146-C149 WeakPolarHBondContact O-CB 3.3Å; Q146-C149 PolarHBondContact O-N 3.49Å; Q146-C149 VanDerWaalsContact O-N 3.1Å; S147-C149 VanDerWaalsContact C-N 3.27Å; S147-C149 PolarHBondContact O-N 3.09Å; C149-G151 VanDerWaalsContact C-N 3.29Å; C149-G151 PolarHBondContact O-N 3.14Å; C149-M152 PolarHBondContact O-N 3.34Å; C149-Q153 WeakPolarHBondContact O-CG 3.39Å; C149-Q153 PolarHBondContact O-N 3.36Å; C149-M188 VanDerWaalsContact SG-CG 3.6Å; C149-M188 PolarHBondContact SG-O 3.06Å; C149-M188 VanDerWaalsContact SG-O 3.36Å; C149-N199 WeakPolarHBondContact CB-OD1 3.26Å |
| 150 | L | 97.3 | Very high | 97 | Very high | 71 Ų | 71 | 32.4 Ų | 32.4 | 37% | 0.372 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -63.4 | -37.1 | 173.3 | -56.2 | 175.7 | 0 | 0 | 0 | 111.5 | F67 V68 Q146 S147 L148 Q153 K154 | F67-L150 HydrophobicContact CD2-CB 4.34Å; V68-L150 HydrophobicContact CG2-CD1 3.94Å; Q146-L150 PolarHBondContact O-N 3.15Å; S147-L150 VanDerWaalsContact O-CB 3.32Å; S147-L150 WeakPolarHBondContact O-CB 3.31Å; S147-L150 PolarHBondContact O-N 2.93Å; S147-L150 VanDerWaalsContact O-N 3.09Å; L148-L150 VanDerWaalsContact C-N 3.33Å; L150-Q153 PolarHBondContact O-N 2.92Å; L150-K154 PolarHBondContact O-N 3.27Å |
| 151 | G | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -55.9 | -48.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F67 S147 L148 C149 Q153 K154 V155 | F67-G151 VanDerWaalsContact CD2-CA 3.45Å; F67-G151 VanDerWaalsContact CD2-N 3.35Å; F67-G151 VanDerWaalsContact CG-CA 3.48Å; S147-G151 PolarHBondContact O-N 3.45Å; L148-G151 WeakPolarHBondContact O-CA 3.36Å; L148-G151 PolarHBondContact O-N 3.14Å; L148-G151 VanDerWaalsContact O-N 3.15Å; C149-G151 VanDerWaalsContact C-N 3.29Å; C149-G151 PolarHBondContact O-N 3.14Å; G151-Q153 PolarHBondContact O-N 3.39Å; G151-K154 WeakPolarHBondContact O-CA 3.41Å; G151-K154 WeakPolarHBondContact O-CB 3.36Å; G151-K154 PolarHBondContact O-N 3.24Å; G151-K154 VanDerWaalsContact O-N 3.13Å; G151-V155 WeakPolarHBondContact O-CG2 3.17Å; G151-V155 PolarHBondContact O-N 3.28Å |
| 152 | M | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.1 | -39.9 | 177 | -71.5 | -58.6 | -58.9 | 0 | 0 | 113 | V99 L131 L148 C149 K154 V155 M156 I173 L175 M188 W202 | V99-M152 HydrophobicContact CB-SD 4.31Å; V99-M152 HydrophobicContact CG1-SD 3.87Å; V99-M152 HydrophobicContact CG2-CE 4.06Å; V99-M152 HydrophobicContact CG2-SD 3.97Å; L131-M152 HydrophobicContact CD1-CG 4.16Å; L131-M152 HydrophobicContact CD1-SD 3.79Å; L148-M152 PolarHBondContact O-N 3.48Å; C149-M152 PolarHBondContact O-N 3.34Å; M152-K154 VanDerWaalsContact C-N 3.28Å; M152-K154 PolarHBondContact O-N 2.9Å; M152-V155 WeakPolarHBondContact O-CB 3.34Å; M152-V155 PolarHBondContact O-N 2.98Å; M152-M156 WeakPolarHBondContact O-CG 3.36Å; M152-M156 PolarHBondContact O-N 3.41Å; M152-M156 VanDerWaalsContact O-N 3.07Å; M152-I173 HydrophobicContact CE-CD1 3.91Å; M152-I173 HydrophobicContact CE-CG2 4.04Å; M152-L175 HydrophobicContact CE-CD2 4.08Å; M152-L175 HydrophobicContact SD-CD2 4.03Å; M152-M188 HydrophobicContact CG-CE 3.89Å; M152-M188 HydrophobicContact CG-SD 3.63Å; M152-M188 HydrophobicContact SD-CE 4.42Å; M152-W202 HydrophobicContact CB-CB 4.39Å; M152-W202 HydrophobicContact CB-CD2 3.73Å; M152-W202 HydrophobicContact CB-CE3 4.47Å; M152-W202 HydrophobicContact CB-CG 3.68Å; M152-W202 HydrophobicContact CB-CZ2 4.21Å; M152-W202 HydrophobicContact CE-CB 3.98Å; M152-W202 HydrophobicContact CE-CD2 4.08Å; M152-W202 HydrophobicContact CE-CE3 3.94Å; M152-W202 HydrophobicContact CE-CG 4.15Å; M152-W202 HydrophobicContact CG-CD2 4.12Å; M152-W202 HydrophobicContact CG-CE3 4.39Å; M152-W202 HydrophobicContact CG-CG 4.5Å; M152-W202 HydrophobicContact CG-CZ2 4.28Å |
| 153 | Q | 97.9 | Very high | 97 | Very high | 44 Ų | 44 | 36.6 Ų | 36.6 | 21% | 0.206 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.2 | -40.2 | 172.9 | -65.3 | 167.6 | 20.5 | 0 | 0 | 111.6 | C149 L150 G151 M156 T157 S198 N199 | C149-Q153 WeakPolarHBondContact O-CG 3.39Å; C149-Q153 PolarHBondContact O-N 3.36Å; L150-Q153 PolarHBondContact O-N 2.92Å; G151-Q153 PolarHBondContact O-N 3.39Å; Q153-M156 PolarHBondContact O-N 3.31Å; Q153-T157 PolarHBondContact O-N 3.48Å; Q153-T157 VanDerWaalsContact O-N 3.08Å; Q153-T157 PolarHBondContact O-OG1 3.19Å; Q153-S198 WeakPolarHBondContact CG-O 3.39Å; Q153-S198 PolarHBondContact NE2-O 2.97Å; Q153-N199 PolarHBondContact NE2-OD1 3.01Å |
| 154 | K | 97.5 | Very high | 96.7 | Very high | 71 Ų | 71 | 37.9 Ų | 37.9 | 31% | 0.309 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.2 | -40 | 174.7 | -171.9 | 65.6 | 171.2 | -171.6 | 0 | 112 | F67 L82 L150 G151 M152 T157 L158 | F67-K154 HydrophobicContact CB-CB 3.73Å; F67-K154 HydrophobicContact CB-CG 3.97Å; L82-K154 HydrophobicContact CD2-CB 4Å; L82-K154 HydrophobicContact CD2-CG 3.78Å; L150-K154 PolarHBondContact O-N 3.27Å; G151-K154 WeakPolarHBondContact O-CA 3.41Å; G151-K154 WeakPolarHBondContact O-CB 3.36Å; G151-K154 PolarHBondContact O-N 3.24Å; G151-K154 VanDerWaalsContact O-N 3.13Å; M152-K154 VanDerWaalsContact C-N 3.28Å; M152-K154 PolarHBondContact O-N 2.9Å; K154-T157 PolarHBondContact O-N 2.94Å; K154-L158 HydrophobicContact CD-CG 4.41Å; K154-L158 HydrophobicContact CG-CD1 4.02Å; K154-L158 HydrophobicContact CG-CG 4.34Å; K154-L158 WeakPolarHBondContact O-CB 3.46Å; K154-L158 WeakPolarHBondContact O-CG 3.4Å; K154-L158 PolarHBondContact O-N 2.93Å |
| 155 | V | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.6 | -48.4 | 175.3 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | L82 I97 V129 L131 G151 M152 L158 T159 | L82-V155 HydrophobicContact CD2-CG2 3.91Å; I97-V155 HydrophobicContact CD1-CG1 4.39Å; I97-V155 HydrophobicContact CG2-CG1 4.22Å; V129-V155 HydrophobicContact CB-CG2 4.4Å; V129-V155 HydrophobicContact CG1-CG2 3.59Å; V129-V155 HydrophobicContact CG2-CG1 3.92Å; V129-V155 HydrophobicContact CG2-CG2 4.22Å; L131-V155 HydrophobicContact CD2-CG2 4.12Å; G151-V155 WeakPolarHBondContact O-CG2 3.17Å; G151-V155 PolarHBondContact O-N 3.28Å; M152-V155 WeakPolarHBondContact O-CB 3.34Å; M152-V155 PolarHBondContact O-N 2.98Å; V155-L158 PolarHBondContact O-N 3.19Å; V155-T159 VanDerWaalsContact O-CB 3.3Å; V155-T159 WeakPolarHBondContact O-CB 3.25Å; V155-T159 PolarHBondContact O-N 2.83Å; V155-T159 PolarHBondContact O-OG1 2.77Å |
| 156 | M | 98 | Very high | 95.8 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61 | -48.8 | 178 | -63.5 | -54.6 | -67.2 | 0 | 0 | 111 | I97 M152 Q153 L158 T159 H160 L171 I173 W202 | I97-M156 HydrophobicContact CD1-SD 4.46Å; M152-M156 WeakPolarHBondContact O-CG 3.36Å; M152-M156 PolarHBondContact O-N 3.41Å; M152-M156 VanDerWaalsContact O-N 3.07Å; Q153-M156 PolarHBondContact O-N 3.31Å; M156-L158 VanDerWaalsContact C-N 3.35Å; M156-L158 PolarHBondContact O-N 2.84Å; M156-T159 PolarHBondContact O-N 2.99Å; M156-T159 VanDerWaalsContact O-N 3.15Å; M156-H160 PolarHBondContact O-CD2 2.8Å; M156-H160 PolarHBondContact O-N 3.29Å; M156-L171 HydrophobicContact CE-CD2 3.85Å; M156-I173 HydrophobicContact SD-CD1 3.78Å; M156-W202 HydrophobicContact CG-CB 3.59Å; M156-W202 HydrophobicContact SD-CB 3.87Å |
| 157 | T | 96.5 | Very high | 95.5 | Very high | 85 Ų | 85 | 44.8 Ų | 44.8 | 52% | 0.521 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -57.4 | -46.4 | 179.7 | -57.9 | 0 | 0 | 0 | 0 | 112 | Q153 K154 K161 | Q153-T157 PolarHBondContact O-N 3.48Å; Q153-T157 VanDerWaalsContact O-N 3.08Å; Q153-T157 PolarHBondContact O-OG1 3.19Å; K154-T157 PolarHBondContact O-N 2.94Å; T157-K161 VanDerWaalsContact O-CB 3.32Å; T157-K161 WeakPolarHBondContact O-CB 3.08Å; T157-K161 PolarHBondContact O-N 3.16Å; T157-K161 VanDerWaalsContact O-N 3.09Å |
| 158 | L | 96.4 | Very high | 95.4 | Very high | 20 Ų | 20 | 46.4 Ų | 46.4 | 11% | 0.105 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.2 | -43 | 177.3 | -72.1 | 173 | 0 | 0 | 0 | 111.3 | V65 L82 K154 V155 M156 K161 M162 | V65-L158 HydrophobicContact CB-CD1 4.45Å; V65-L158 HydrophobicContact CG1-CD1 4.09Å; V65-L158 HydrophobicContact CG2-CD1 4.44Å; L82-L158 HydrophobicContact CD1-CD1 3.76Å; L82-L158 HydrophobicContact CD2-CD1 4.21Å; L82-L158 HydrophobicContact CG-CD1 4.48Å; K154-L158 HydrophobicContact CD-CG 4.41Å; K154-L158 HydrophobicContact CG-CD1 4.02Å; K154-L158 HydrophobicContact CG-CG 4.34Å; K154-L158 WeakPolarHBondContact O-CB 3.46Å; K154-L158 WeakPolarHBondContact O-CG 3.4Å; K154-L158 PolarHBondContact O-N 2.93Å; V155-L158 PolarHBondContact O-N 3.19Å; M156-L158 VanDerWaalsContact C-N 3.35Å; M156-L158 PolarHBondContact O-N 2.84Å; L158-K161 WeakPolarHBondContact O-CB 3.4Å; L158-K161 PolarHBondContact O-N 2.97Å; L158-M162 VanDerWaalsContact O-CG 3.25Å; L158-M162 WeakPolarHBondContact O-CG 3.48Å; L158-M162 PolarHBondContact O-N 3.38Å |
| 159 | T | 97.6 | Very high | 95 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.8 | -47.9 | -178 | -59.6 | 0 | 0 | 0 | 0 | 111.6 | W84 I97 I127 V155 M156 K161 M162 F163 L166 | W84-T159 PolarHBondContact NE1-OG1 3.27Å; I97-T159 HydrophobicContact CD1-CG2 4.04Å; I127-T159 HydrophobicContact CD1-CG2 3.49Å; I127-T159 VanDerWaalsContact CD1-CG2 3.49Å; V155-T159 VanDerWaalsContact O-CB 3.3Å; V155-T159 WeakPolarHBondContact O-CB 3.25Å; V155-T159 PolarHBondContact O-N 2.83Å; V155-T159 PolarHBondContact O-OG1 2.77Å; M156-T159 PolarHBondContact O-N 2.99Å; M156-T159 VanDerWaalsContact O-N 3.15Å; T159-K161 VanDerWaalsContact C-N 3.3Å; T159-K161 PolarHBondContact O-N 3.47Å; T159-M162 PolarHBondContact O-N 2.73Å; T159-F163 HydrophobicContact CG2-CD2 4.43Å; T159-F163 PolarHBondContact O-N 2.86Å; T159-F163 VanDerWaalsContact O-N 3.1Å; T159-L166 HydrophobicContact CG2-CD1 3.78Å |
| 160 | H | 96.7 | Very high | 94.7 | Very high | 31 Ų | 31 | 57.3 Ų | 57.3 | 14% | 0.144 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.2 | -33.7 | 175.6 | -69.6 | -69.9 | 0 | 0 | 0 | 112.8 | M156 G164 N165 L166 D168 | M156-H160 PolarHBondContact O-CD2 2.8Å; M156-H160 PolarHBondContact O-N 3.29Å; H160-G164 VanDerWaalsContact O-CA 3.29Å; H160-G164 WeakPolarHBondContact O-CA 3.31Å; H160-G164 PolarHBondContact O-N 3.09Å; H160-N165 PolarHBondContact O-N 2.86Å; H160-L166 PolarHBondContact CE1-O 2.73Å; H160-L166 PolarHBondContact ND1-N 3.12Å; H160-D168 IonicContact CE1-OD1 3.21Å; H160-D168 PolarHBondContact CE1-OD1 3.27Å; H160-D168 IonicContact CE1-OD2 3.81Å; H160-D168 IonicContact NE2-OD1 2.67Å; H160-D168 PolarHBondContact NE2-OD1 3.07Å; H160-D168 IonicContact NE2-OD2 3.77Å |
| 161 | K | 95.6 | Very high | 94.5 | Very high | 171 Ų | 171 | 54 Ų | 54 | 74% | 0.743 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -64.8 | -41.2 | 174.5 | -177.5 | -178.4 | 177 | -175.7 | 0 | 111.9 | T157 L158 T159 | T157-K161 VanDerWaalsContact O-CB 3.32Å; T157-K161 WeakPolarHBondContact O-CB 3.08Å; T157-K161 PolarHBondContact O-N 3.16Å; T157-K161 VanDerWaalsContact O-N 3.09Å; L158-K161 WeakPolarHBondContact O-CB 3.4Å; L158-K161 PolarHBondContact O-N 2.97Å; T159-K161 VanDerWaalsContact C-N 3.3Å; T159-K161 PolarHBondContact O-N 3.47Å |
| 162 | M | 94.9 | Very high | 94.4 | Very high | 88 Ų | 88 | 55.4 Ų | 55.4 | 43% | 0.433 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -74.9 | -35.6 | -176.3 | -67.5 | -60 | -70.9 | 0 | 0 | 113 | V62 W84 L158 T159 | V62-M162 HydrophobicContact CG2-SD 4.44Å; W84-M162 HydrophobicContact CH2-CB 3.78Å; W84-M162 HydrophobicContact CH2-CG 3.87Å; W84-M162 HydrophobicContact CZ2-CB 4.21Å; W84-M162 HydrophobicContact CZ2-CG 4.31Å; W84-M162 HydrophobicContact CZ3-CB 4.36Å; W84-M162 HydrophobicContact CZ3-CE 4.17Å; W84-M162 HydrophobicContact CZ3-CG 4.02Å; L158-M162 VanDerWaalsContact O-CG 3.25Å; L158-M162 WeakPolarHBondContact O-CG 3.48Å; L158-M162 PolarHBondContact O-N 3.38Å; T159-M162 PolarHBondContact O-N 2.73Å |
| 163 | F | 94.1 | Very high | 94.4 | Very high | 53 Ų | 53 | 55.4 Ų | 55.4 | 23% | 0.232 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -110 | -0.8 | -174.9 | -71.3 | -76.3 | 0 | 0 | 0 | 115.3 | W84 P86 P94 I127 T159 L166 | W84-F163 HydrophobicContact CH2-CD2 4.18Å; W84-F163 AromaticContact CH2-CE2 3.42Å; W84-F163 HydrophobicContact CH2-CE2 3.42Å; W84-F163 VanDerWaalsContact CH2-CE2 3.42Å; W84-F163 HydrophobicContact CH2-CZ 4.16Å; W84-F163 HydrophobicContact CZ2-CD2 4.18Å; W84-F163 AromaticContact CZ2-CE2 3.64Å; W84-F163 HydrophobicContact CZ2-CE2 3.64Å; P86-F163 HydrophobicContact CB-CZ 4.14Å; P94-F163 VanDerWaalsContact CD-CE1 3.5Å; P94-F163 HydrophobicContact CG-CD1 4.29Å; P94-F163 HydrophobicContact CG-CD2 3.85Å; P94-F163 HydrophobicContact CG-CE1 4.02Å; P94-F163 HydrophobicContact CG-CE2 3.52Å; P94-F163 HydrophobicContact CG-CG 4.22Å; P94-F163 HydrophobicContact CG-CZ 3.64Å; I127-F163 HydrophobicContact CD1-CD2 4.28Å; I127-F163 HydrophobicContact CD1-CE2 3.86Å; I127-F163 HydrophobicContact CG1-CE2 4.19Å; T159-F163 HydrophobicContact CG2-CD2 4.43Å; T159-F163 PolarHBondContact O-N 2.86Å; T159-F163 VanDerWaalsContact O-N 3.1Å; F163-L166 HydrophobicContact CB-CD1 4.1Å; F163-L166 HydrophobicContact CB-CD2 3.63Å; F163-L166 HydrophobicContact CB-CG 3.79Å; F163-L166 HydrophobicContact CD2-CD1 4.39Å; F163-L166 HydrophobicContact CG-CD1 4.45Å; F163-L166 HydrophobicContact CG-CD2 4.41Å |
| 164 | G | 88.6 | Confident | 94.4 | Very high | 58 Ų | 58 | 53.3 Ų | 53.3 | 60% | 0.598 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.9 | 83.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | H160 L166 | H160-G164 VanDerWaalsContact O-CA 3.29Å; H160-G164 WeakPolarHBondContact O-CA 3.31Å; H160-G164 PolarHBondContact O-N 3.09Å; G164-L166 PolarHBondContact O-N 2.71Å |
| 165 | N | 84.5 | Confident | 94.5 | Very high | 137 Ų | 137 | 50 Ų | 50 | 73% | 0.733 | 27% | 0.267 | S | S | * | . | S | Bend | trans | 37.7 | 68.1 | 173.5 | -70.2 | -11.6 | 0 | 0 | 0 | 114 | H160 | H160-N165 PolarHBondContact O-N 2.86Š|
| 166 | L | 91 | Very high | 94.5 | Very high | 23 Ų | 23 | 50 Ų | 50 | 12% | 0.12 | 27% | 0.267 | C | S | . | . | trans | -50.7 | 151.9 | 171 | -64.4 | -179.4 | 0 | 0 | 0 | 112.2 | I93 P94 T159 H160 F163 G164 D168 L171 | I93-L166 HydrophobicContact CG2-CD2 3.63Å; P94-L166 HydrophobicContact CG-CD1 4.26Å; T159-L166 HydrophobicContact CG2-CD1 3.78Å; H160-L166 PolarHBondContact CE1-O 2.73Å; H160-L166 PolarHBondContact ND1-N 3.12Å; F163-L166 HydrophobicContact CB-CD1 4.1Å; F163-L166 HydrophobicContact CB-CD2 3.63Å; F163-L166 HydrophobicContact CB-CG 3.79Å; F163-L166 HydrophobicContact CD2-CD1 4.39Å; F163-L166 HydrophobicContact CG-CD1 4.45Å; F163-L166 HydrophobicContact CG-CD2 4.41Å; G164-L166 PolarHBondContact O-N 2.71Å; L166-D168 PolarHBondContact O-N 3.2Å; L166-L171 HydrophobicContact CD1-CD1 4.39Å | ||
| 167 | D | 91.7 | Very high | 94.5 | Very high | 68 Ų | 68 | 49.9 Ų | 49.9 | 36% | 0.364 | 27% | 0.267 | S | S | . | . | trans | -75.8 | 100.7 | 173.5 | -179.7 | -1.2 | 0 | 0 | 0 | 110.1 | T169 K170 L171 | D167-T169 VanDerWaalsContact CG-OG1 3.27Å; D167-T169 PolarHBondContact O-N 2.73Å; D167-T169 VanDerWaalsContact O-N 3.09Å; D167-T169 WeakPolarHBondContact OD1-CB 3.02Å; D167-T169 PolarHBondContact OD1-N 2.77Å; D167-T169 VanDerWaalsContact OD1-N 3.12Å; D167-T169 PolarHBondContact OD1-OG1 3.46Å; D167-T169 PolarHBondContact OD2-OG1 2.7Å; D167-K170 HydrophobicContact CB-CD 4.21Å; D167-K170 HydrophobicContact CB-CG 4.46Å; D167-K170 PolarHBondContact O-N 3.3Å; D167-K170 WeakPolarHBondContact OD2-CD 3.3Å; D167-K170 WeakPolarHBondContact OD2-CE 3.32Å; D167-K170 IonicContact OD2-NZ 3.75Å; D167-K170 PolarHBondContact OD2-NZ 2.96Å; D167-L171 PolarHBondContact O-N 2.65Å | ||
| 168 | D | 92.4 | Very high | 94.6 | Very high | 48 Ų | 48 | 46.2 Ų | 46.2 | 26% | 0.257 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -22.6 | -179.7 | -75.8 | -22.5 | 0 | 0 | 0 | 113.4 | H160 L166 K170 L171 C205 | H160-D168 IonicContact CE1-OD1 3.21Å; H160-D168 PolarHBondContact CE1-OD1 3.27Å; H160-D168 IonicContact CE1-OD2 3.81Å; H160-D168 IonicContact NE2-OD1 2.67Å; H160-D168 PolarHBondContact NE2-OD1 3.07Å; H160-D168 IonicContact NE2-OD2 3.77Å; L166-D168 PolarHBondContact O-N 3.2Å; D168-K170 PolarHBondContact O-N 3.22Å; D168-L171 PolarHBondContact O-N 2.74Å; D168-C205 PolarHBondContact O-SG 2.92Å |
| 169 | T | 89.9 | Confident | 94.7 | Very high | 114 Ų | 114 | 45.4 Ų | 45.4 | 70% | 0.699 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69 | -20.9 | 176.1 | 73.2 | 0 | 0 | 0 | 0 | 112.6 | D167 | D167-T169 VanDerWaalsContact CG-OG1 3.27Å; D167-T169 PolarHBondContact O-N 2.73Å; D167-T169 VanDerWaalsContact O-N 3.09Å; D167-T169 WeakPolarHBondContact OD1-CB 3.02Å; D167-T169 PolarHBondContact OD1-N 2.77Å; D167-T169 VanDerWaalsContact OD1-N 3.12Å; D167-T169 PolarHBondContact OD1-OG1 3.46Å; D167-T169 PolarHBondContact OD2-OG1 2.7Å |
| 170 | K | 91.8 | Very high | 94.7 | Very high | 121 Ų | 121 | 45.4 Ų | 45.4 | 53% | 0.526 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -18.5 | 178 | -64.4 | 175.6 | -175.4 | 144.3 | 0 | 112.9 | D167 D168 R172 | D167-K170 HydrophobicContact CB-CD 4.21Å; D167-K170 HydrophobicContact CB-CG 4.46Å; D167-K170 PolarHBondContact O-N 3.3Å; D167-K170 WeakPolarHBondContact OD2-CD 3.3Å; D167-K170 WeakPolarHBondContact OD2-CE 3.32Å; D167-K170 IonicContact OD2-NZ 3.75Å; D167-K170 PolarHBondContact OD2-NZ 2.96Å; D168-K170 PolarHBondContact O-N 3.22Å; K170-R172 PolarHBondContact O-NH1 3.44Å |
| 171 | L | 95 | Very high | 94.8 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | trans | -77.7 | 134.2 | -177.5 | -168 | 62.4 | 0 | 0 | 0 | 110.9 | T95 I97 M156 L166 D167 D168 | T95-L171 CarbonylContact O-C 3.59Å; T95-L171 WeakPolarHBondContact O-CA 3.15Å; I97-L171 HydrophobicContact CD1-CD1 4.14Å; I97-L171 HydrophobicContact CD1-CD2 3.91Å; I97-L171 HydrophobicContact CD1-CG 4.29Å; I97-L171 HydrophobicContact CG1-CD1 3.9Å; I97-L171 HydrophobicContact CG1-CG 4.42Å; M156-L171 HydrophobicContact CE-CD2 3.85Å; L166-L171 HydrophobicContact CD1-CD1 4.39Å; D167-L171 PolarHBondContact O-N 2.65Å; D168-L171 PolarHBondContact O-N 2.74Å | ||
| 172 | R | 96.1 | Very high | 95 | Very high | 28 Ų | 28 | 35.8 Ų | 35.8 | 11% | 0.106 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 131.8 | 178 | -58.6 | -172.9 | -63.3 | -75.7 | 7 | 109.9 | T95 N96 I97 K170 C205 R207 I336 L338 | T95-R172 PolarHBondContact O-N 3.24Å; N96-R172 CarbonylContact C-O 3.22Å; N96-R172 VanDerWaalsContact CA-O 3.3Å; N96-R172 WeakPolarHBondContact CA-O 3.27Å; N96-R172 PolarHBondContact ND2-NH2 3.05Å; N96-R172 PolarHBondContact OD1-NE 3.06Å; N96-R172 PolarHBondContact OD1-NH2 2.76Å; N96-R172 VanDerWaalsContact OD1-NH2 3.16Å; I97-R172 PolarHBondContact N-O 3.45Å; K170-R172 PolarHBondContact O-NH1 3.44Å; R172-C205 CarbonylContact C-O 3.58Å; R172-C205 WeakPolarHBondContact CA-O 3.45Å; R172-R207 HydrophobicContact CB-CB 4.49Å; R172-R207 HydrophobicContact CB-CG 3.98Å; R172-R207 HydrophobicContact CG-CG 3.9Å; R172-I336 PolarHBondContact NH2-O 2.59Å; R172-I336 VanDerWaalsContact NH2-O 3.11Å; R172-L338 PolarHBondContact NH2-O 3.21Å |
| 173 | I | 98 | Very high | 95.2 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 129.4 | 174.2 | -60.4 | 177.1 | 0 | 0 | 0 | 108.8 | I97 V99 M152 M156 L175 W202 C205 L206 R207 N208 | I97-I173 HydrophobicContact CB-CG1 4.26Å; I97-I173 HydrophobicContact CD1-CG1 4.43Å; I97-I173 WeakPolarHBondContact O-CA 3.41Å; V99-I173 HydrophobicContact CG2-CG2 4.19Å; M152-I173 HydrophobicContact CE-CD1 3.91Å; M152-I173 HydrophobicContact CE-CG2 4.04Å; M156-I173 HydrophobicContact SD-CD1 3.78Å; I173-L175 HydrophobicContact CG2-CD2 3.84Å; I173-L175 HydrophobicContact CG2-CG 4.24Å; I173-W202 HydrophobicContact CD1-CB 3.82Å; I173-C205 HydrophobicContact CD1-CB 3.8Å; I173-C205 HydrophobicContact CG1-CB 3.81Å; I173-C205 PolarHBondContact N-O 2.77Å; I173-L206 HydrophobicContact CB-CD1 4.42Å; I173-L206 HydrophobicContact CG2-CD1 4.17Å; I173-R207 PolarHBondContact O-N 2.8Å; I173-N208 PolarHBondContact O-N 2.81Å |
| 174 | T | 98.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 117.1 | 167 | -61.8 | 0 | 0 | 0 | 0 | 108.2 | I97 V98 V99 N208 V210 I336 | I97-T174 PolarHBondContact O-N 3.06Å; V98-T174 WeakPolarHBondContact CA-O 3.03Å; V99-T174 PolarHBondContact N-O 3.34Å; T174-N208 WeakPolarHBondContact CA-O 3.32Å; T174-N208 HydrophobicContact CG2-CB 3.81Å; T174-N208 WeakPolarHBondContact OG1-CB 3.35Å; T174-N208 PolarHBondContact OG1-ND2 2.91Å; T174-V210 HydrophobicContact CG2-CG2 4.01Å; T174-I336 WeakPolarHBondContact OG1-CG2 3.37Å |
| 175 | L | 98.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 124.1 | 171.6 | -60.8 | 178 | 0 | 0 | 0 | 109.1 | V99 M152 I173 V185 M188 I189 W202 L206 N208 L209 V210 | V99-L175 HydrophobicContact CB-CD2 3.72Å; V99-L175 HydrophobicContact CG1-CD2 4.28Å; V99-L175 HydrophobicContact CG2-CD2 4.13Å; M152-L175 HydrophobicContact CE-CD2 4.08Å; M152-L175 HydrophobicContact SD-CD2 4.03Å; I173-L175 HydrophobicContact CG2-CD2 3.84Å; I173-L175 HydrophobicContact CG2-CG 4.24Å; L175-V185 HydrophobicContact CB-CG1 3.84Å; L175-V185 HydrophobicContact CB-CG2 4.23Å; L175-V185 HydrophobicContact CD1-CG1 4.03Å; L175-M188 HydrophobicContact CD1-CE 3.43Å; L175-M188 VanDerWaalsContact CD1-CE 3.43Å; L175-M188 HydrophobicContact CD2-CE 4.03Å; L175-M188 HydrophobicContact CG-CE 4.36Å; L175-I189 HydrophobicContact CD1-CD1 4.05Å; L175-I189 HydrophobicContact CD1-CG1 4.07Å; L175-W202 HydrophobicContact CD1-CZ3 4.3Å; L175-L206 HydrophobicContact CB-CD1 4.44Å; L175-L206 HydrophobicContact CD1-CD1 3.65Å; L175-L206 HydrophobicContact CD1-CD2 4.3Å; L175-L206 HydrophobicContact CG-CD1 3.57Å; L175-N208 PolarHBondContact N-O 3Å; L175-L209 HydrophobicContact CB-CD2 3.91Å; L175-L209 HydrophobicContact CD1-CD2 4.07Å; L175-L209 HydrophobicContact CG-CD2 4.33Å; L175-L209 CarbonylContact O-C 3.6Å; L175-L209 WeakPolarHBondContact O-CA 3.5Å; L175-V210 PolarHBondContact O-N 2.91Å |
| 176 | F | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 123.2 | 172.7 | -176.5 | -74.2 | 0 | 0 | 0 | 109.1 | V99 Y100 I101 W117 H178 V210 M212 L319 I328 I332 | V99-F176 PolarHBondContact O-N 3.2Å; Y100-F176 WeakPolarHBondContact CA-O 3.32Å; Y100-F176 AromaticContact CD2-CD1 3.45Å; Y100-F176 HydrophobicContact CD2-CD1 3.45Å; Y100-F176 VanDerWaalsContact CD2-CD1 3.45Å; Y100-F176 AromaticContact CD2-CE1 3.96Å; Y100-F176 HydrophobicContact CD2-CE1 3.96Å; Y100-F176 HydrophobicContact CD2-CG 4.42Å; Y100-F176 AromaticContact CE2-CD1 3.73Å; Y100-F176 HydrophobicContact CE2-CD1 3.73Å; Y100-F176 AromaticContact CE2-CE1 3.79Å; Y100-F176 HydrophobicContact CE2-CE1 3.79Å; I101-F176 PolarHBondContact N-O 2.78Å; W117-F176 HydrophobicContact CH2-CB 4.15Å; W117-F176 HydrophobicContact CH2-CD1 4.4Å; W117-F176 AromaticContact CH2-CD2 3.97Å; W117-F176 HydrophobicContact CH2-CD2 3.97Å; W117-F176 HydrophobicContact CH2-CE2 4.47Å; W117-F176 AromaticContact CH2-CG 3.92Å; W117-F176 HydrophobicContact CH2-CG 3.92Å; W117-F176 HydrophobicContact CZ2-CB 4.17Å; W117-F176 AromaticContact CZ2-CD1 3.89Å; W117-F176 HydrophobicContact CZ2-CD1 3.89Å; W117-F176 HydrophobicContact CZ2-CD2 4.28Å; W117-F176 HydrophobicContact CZ2-CE1 4.22Å; W117-F176 AromaticContact CZ2-CG 3.85Å; W117-F176 HydrophobicContact CZ2-CG 3.85Å; F176-H178 HydrophobicContact CE1-CB 4.03Å; F176-V210 WeakPolarHBondContact CA-O 3.36Å; F176-V210 HydrophobicContact CB-CB 4.39Å; F176-V210 HydrophobicContact CD2-CB 3.58Å; F176-V210 HydrophobicContact CD2-CG1 3.38Å; F176-V210 HydrophobicContact CE2-CB 4.29Å; F176-V210 HydrophobicContact CE2-CG1 3.57Å; F176-V210 HydrophobicContact CG-CB 4.29Å; F176-V210 HydrophobicContact CG-CG1 4.44Å; F176-M212 HydrophobicContact CE1-CB 4.46Å; F176-M212 HydrophobicContact CE1-CE 4.16Å; F176-M212 HydrophobicContact CE2-CB 4.3Å; F176-M212 HydrophobicContact CE2-SD 4.35Å; F176-M212 HydrophobicContact CZ-CB 3.9Å; F176-M212 HydrophobicContact CZ-CE 3.61Å; F176-M212 HydrophobicContact CZ-CG 4.46Å; F176-M212 HydrophobicContact CZ-SD 3.74Å; F176-L319 HydrophobicContact CZ-CD1 4.22Å; F176-I328 HydrophobicContact CE2-CG1 4.38Å; F176-I332 HydrophobicContact CD2-CD1 3.46Å; F176-I332 VanDerWaalsContact CD2-CD1 3.46Å; F176-I332 HydrophobicContact CD2-CG1 4.35Å; F176-I332 HydrophobicContact CE2-CD1 3.46Å; F176-I332 VanDerWaalsContact CE2-CD1 3.46Å |
| 177 | G | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 131.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | V210 M212 | G177-V210 PolarHBondContact N-O 3.1Å; G177-M212 PolarHBondContact O-N 3.14Å |
| 178 | H | 98.4 | Very high | 97.2 | Very high | 8 Ų | 8 | 15.6 Ų | 15.6 | 4% | 0.037 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 132.4 | 170.3 | 171.4 | -113.2 | 0 | 0 | 0 | 110.2 | Y100 I101 G103 F176 A180 G181 M212 H312 | Y100-H178 HydrophobicContact CE2-CB 4.09Å; I101-H178 PolarHBondContact O-N 3.47Å; G103-H178 WeakPolarHBondContact CA-O 3.36Å; G103-H178 PolarHBondContact N-O 3.43Å; F176-H178 HydrophobicContact CE1-CB 4.03Å; H178-A180 PolarHBondContact O-N 2.91Å; H178-G181 WeakPolarHBondContact O-CA 3.3Å; H178-G181 PolarHBondContact O-N 3.24Å; H178-M212 CarbonylContact C-O 3.58Å; H178-M212 WeakPolarHBondContact CA-O 3.17Å; H178-M212 HydrophobicContact CB-CE 4.24Å; H178-M212 WeakPolarHBondContact CD2-CE 3.11Å; H178-H312 AromaticContact CE1-CD2 3.87Å; H178-H312 AromaticContact CE1-NE2 3.72Å; H178-H312 PolarHBondContact CE1-O 2.72Å; H178-H312 AromaticContact NE2-CD2 3.84Å; H178-H312 AromaticContact NE2-NE2 3.74Å; H178-H312 PolarHBondContact NE2-O 3.28Å |
| 179 | S | 98.1 | Very high | 97.4 | Very high | 2 Ų | 2 | 13.3 Ų | 13.3 | 1% | 0.014 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | -124.1 | 173.5 | -168.1 | 0 | 0 | 0 | 0 | 111.4 | G181 A182 M212 S213 G214 H312 | S179-G181 PolarHBondContact O-N 3.38Å; S179-G181 VanDerWaalsContact O-N 3.16Å; S179-A182 WeakPolarHBondContact O-CB 3.38Å; S179-A182 PolarHBondContact O-N 3.47Å; S179-M212 PolarHBondContact N-O 3.49Å; S179-S213 VanDerWaalsContact CA-O 3.3Å; S179-S213 WeakPolarHBondContact CA-O 3.32Å; S179-G214 WeakPolarHBondContact O-CA 3.28Å; S179-H312 VanDerWaalsContact CB-NE2 3.32Å; S179-H312 WeakPolarHBondContact CB-NE2 3.09Å; S179-H312 PolarHBondContact OG-CE1 2.85Å; S179-H312 PolarHBondContact OG-NE2 3.13Å |
| 180 | A | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -56.8 | -23.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | W106 H178 A182 H183 L184 | W106-A180 HydrophobicContact CD2-CB 3.78Å; W106-A180 HydrophobicContact CE3-CB 4.34Å; W106-A180 HydrophobicContact CG-CB 4.06Å; W106-A180 HydrophobicContact CZ2-CB 4.01Å; H178-A180 PolarHBondContact O-N 2.91Å; A180-A182 VanDerWaalsContact C-N 3.35Å; A180-H183 VanDerWaalsContact O-CB 3.3Å; A180-H183 WeakPolarHBondContact O-CB 3.42Å; A180-H183 PolarHBondContact O-N 2.94Å; A180-L184 WeakPolarHBondContact O-CG 3.39Å; A180-L184 PolarHBondContact O-N 3.14Å; A180-L184 VanDerWaalsContact O-N 3.14Å |
| 181 | G | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -68.4 | -32.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113 | H102 H178 S179 H183 L184 V185 | H102-G181 VanDerWaalsContact O-CA 3.31Å; H102-G181 WeakPolarHBondContact O-CA 3.5Å; H102-G181 PolarHBondContact O-N 2.97Å; H178-G181 WeakPolarHBondContact O-CA 3.3Å; H178-G181 PolarHBondContact O-N 3.24Å; S179-G181 PolarHBondContact O-N 3.38Å; S179-G181 VanDerWaalsContact O-N 3.16Å; G181-H183 VanDerWaalsContact C-N 3.33Å; G181-L184 PolarHBondContact O-N 2.87Å; G181-V185 WeakPolarHBondContact O-CG2 3.46Å; G181-V185 PolarHBondContact O-N 2.89Å |
| 182 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -67 | -36.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | S179 A180 L186 L211 Y216 | S179-A182 WeakPolarHBondContact O-CB 3.38Å; S179-A182 PolarHBondContact O-N 3.47Å; A180-A182 VanDerWaalsContact C-N 3.35Å; A182-L186 PolarHBondContact O-N 3.07Å; A182-L211 HydrophobicContact CB-CB 4.13Å; A182-L211 HydrophobicContact CB-CD2 4.17Å; A182-Y216 HydrophobicContact CB-CE1 4.13Å |
| 183 | H | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -57 | -54.1 | 168.8 | 164.9 | -91 | 0 | 0 | 0 | 110.8 | W106 A180 G181 V185 L186 E187 V215 L218 V241 P243 | W106-H183 AromaticContact CE2-ND1 3.69Å; W106-H183 HydrophobicContact CZ2-CB 3.9Å; W106-H183 AromaticContact CZ2-CG 3.63Å; W106-H183 AromaticContact CZ2-ND1 3.72Å; W106-H183 AromaticContact NE1-CE1 3.78Å; W106-H183 AromaticContact NE1-CG 3.86Å; W106-H183 AromaticContact NE1-ND1 3.1Å; W106-H183 PolarHBondContact NE1-ND1 3.37Å; W106-H183 VanDerWaalsContact NE1-ND1 3.1Å; A180-H183 VanDerWaalsContact O-CB 3.3Å; A180-H183 WeakPolarHBondContact O-CB 3.42Å; A180-H183 PolarHBondContact O-N 2.94Å; G181-H183 VanDerWaalsContact C-N 3.33Å; H183-V185 VanDerWaalsContact C-N 3.31Å; H183-V185 PolarHBondContact O-N 3.37Å; H183-L186 PolarHBondContact O-N 2.87Å; H183-L186 VanDerWaalsContact O-N 3.14Å; H183-E187 PolarHBondContact O-N 3.33Å; H183-E187 VanDerWaalsContact O-N 3.09Å; H183-V215 VanDerWaalsContact CB-O 3.31Å; H183-V215 WeakPolarHBondContact CB-O 3.34Å; H183-L218 VanDerWaalsContact CD2-CD1 3.48Å; H183-L218 WeakPolarHBondContact CD2-CD1 3.34Å; H183-V241 PolarHBondContact NE2-O 3.45Å; H183-P243 WeakPolarHBondContact CD2-CD 3.3Å |
| 184 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -63.9 | -33.8 | -176.3 | -70.1 | 172.9 | 0 | 0 | 0 | 113 | I101 Y133 M144 S145 L148 A180 G181 L186 E187 M188 | I101-L184 HydrophobicContact CG2-CB 4.19Å; I101-L184 HydrophobicContact CG2-CD1 4.16Å; Y133-L184 HydrophobicContact CD1-CD1 3.87Å; Y133-L184 HydrophobicContact CD2-CD1 3.97Å; Y133-L184 HydrophobicContact CE1-CD1 3.41Å; Y133-L184 VanDerWaalsContact CE1-CD1 3.41Å; Y133-L184 HydrophobicContact CE2-CD1 3.54Å; Y133-L184 HydrophobicContact CG-CD1 4.14Å; M144-L184 HydrophobicContact CB-CD2 3.8Å; M144-L184 HydrophobicContact SD-CD2 4.45Å; S145-L184 WeakPolarHBondContact OG-CD2 3.11Å; L148-L184 HydrophobicContact CD1-CB 3.86Å; L148-L184 HydrophobicContact CD1-CD1 4.08Å; L148-L184 HydrophobicContact CD1-CD2 4.41Å; L148-L184 HydrophobicContact CD1-CG 4.35Å; A180-L184 WeakPolarHBondContact O-CG 3.39Å; A180-L184 PolarHBondContact O-N 3.14Å; A180-L184 VanDerWaalsContact O-N 3.14Å; G181-L184 PolarHBondContact O-N 2.87Å; L184-L186 PolarHBondContact O-N 3.36Å; L184-E187 PolarHBondContact O-N 3.33Å; L184-M188 WeakPolarHBondContact O-CB 3.47Å; L184-M188 PolarHBondContact O-N 3.27Å |
| 185 | V | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -57.2 | -48.2 | 173.4 | 163.9 | 0 | 0 | 0 | 0 | 111 | I101 L175 G181 H183 M188 I189 L209 L211 | I101-V185 HydrophobicContact CB-CG2 4.36Å; I101-V185 HydrophobicContact CD1-CG2 3.74Å; I101-V185 HydrophobicContact CG1-CG2 4.16Å; L175-V185 HydrophobicContact CB-CG1 3.84Å; L175-V185 HydrophobicContact CB-CG2 4.23Å; L175-V185 HydrophobicContact CD1-CG1 4.03Å; G181-V185 WeakPolarHBondContact O-CG2 3.46Å; G181-V185 PolarHBondContact O-N 2.89Å; H183-V185 VanDerWaalsContact C-N 3.31Å; H183-V185 PolarHBondContact O-N 3.37Å; V185-M188 PolarHBondContact O-N 2.82Å; V185-I189 HydrophobicContact CG1-CD1 4.03Å; V185-I189 WeakPolarHBondContact O-CD1 3.33Å; V185-I189 VanDerWaalsContact O-CG1 3.26Å; V185-I189 WeakPolarHBondContact O-CG1 3.34Å; V185-I189 PolarHBondContact O-N 3.18Å; V185-I189 VanDerWaalsContact O-N 3.09Å; V185-L209 HydrophobicContact CG1-CD2 4.06Å; V185-L211 HydrophobicContact CB-CD2 4.22Å; V185-L211 HydrophobicContact CG1-CD2 3.92Å |
| 186 | L | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -68.9 | -43.6 | -178.2 | -61.9 | -172.2 | 0 | 0 | 0 | 111.9 | A182 H183 L184 M188 I189 Y190 L209 L211 Y216 P243 L255 W262 L281 | A182-L186 PolarHBondContact O-N 3.07Å; H183-L186 PolarHBondContact O-N 2.87Å; H183-L186 VanDerWaalsContact O-N 3.14Å; L184-L186 PolarHBondContact O-N 3.36Å; L186-M188 VanDerWaalsContact C-N 3.34Å; L186-M188 PolarHBondContact O-N 3.3Å; L186-I189 PolarHBondContact O-N 3.12Å; L186-Y190 PolarHBondContact O-N 3.3Å; L186-L209 HydrophobicContact CD2-CD1 4.02Å; L186-L211 HydrophobicContact CD1-CD1 4.11Å; L186-L211 HydrophobicContact CD2-CD1 3.92Å; L186-L211 HydrophobicContact CD2-CD2 4.18Å; L186-L211 HydrophobicContact CG-CD1 4.25Å; L186-L211 HydrophobicContact CG-CD2 4.37Å; L186-Y216 HydrophobicContact CD1-CD1 3.82Å; L186-Y216 HydrophobicContact CD1-CE1 4.02Å; L186-P243 HydrophobicContact CB-CB 3.97Å; L186-P243 HydrophobicContact CB-CG 3.98Å; L186-P243 HydrophobicContact CD1-CB 3.67Å; L186-P243 HydrophobicContact CD1-CG 4.17Å; L186-P243 HydrophobicContact CG-CB 4.46Å; L186-L255 HydrophobicContact CB-CD1 4.38Å; L186-L255 VanDerWaalsContact O-CD2 3.3Å; L186-L255 WeakPolarHBondContact O-CD2 3.47Å; L186-W262 HydrophobicContact CD1-CZ3 4.25Å; L186-W262 HydrophobicContact CD2-CE3 4.44Å; L186-W262 HydrophobicContact CD2-CH2 3.54Å; L186-W262 HydrophobicContact CD2-CZ3 3.35Å; L186-W262 HydrophobicContact CG-CZ3 4.45Å; L186-L281 HydrophobicContact CD1-CD2 4.23Å |
| 187 | E | 98.1 | Very high | 97 | Very high | 3 Ų | 3 | 29.3 Ų | 29.3 | 1% | 0.014 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.4 | -37.8 | 177.1 | -68.4 | -57.5 | 124.2 | 0 | 0 | 112.3 | S145 H183 L184 Y190 W191 P243 R245 H246 | S145-E187 WeakPolarHBondContact OG-CB 3.41Å; H183-E187 PolarHBondContact O-N 3.33Å; H183-E187 VanDerWaalsContact O-N 3.09Å; L184-E187 PolarHBondContact O-N 3.33Å; E187-Y190 WeakPolarHBondContact O-CB 3.38Å; E187-Y190 PolarHBondContact O-N 3.42Å; E187-W191 PolarHBondContact O-N 2.99Å; E187-P243 HydrophobicContact CG-CG 4.2Å; E187-P243 WeakPolarHBondContact OE1-CA 3.49Å; E187-R245 IonicContact OE1-CZ 3.76Å; E187-R245 IonicContact OE1-NH1 2.74Å; E187-R245 PolarHBondContact OE1-NH1 2.96Å; E187-R245 IonicContact OE1-NH2 3.14Å; E187-R245 IonicContact OE2-CZ 2.67Å; E187-R245 VanDerWaalsContact OE2-CZ 3.31Å; E187-R245 IonicContact OE2-NH1 2.92Å; E187-R245 PolarHBondContact OE2-NH1 3.37Å; E187-R245 IonicContact OE2-NH2 3.93Å; E187-R245 PolarHBondContact OE2-NH2 3.34Å; E187-H246 IonicContact OE1-CD2 3.94Å; E187-H246 IonicContact OE1-NE2 3.63Å; E187-H246 PolarHBondContact OE1-NE2 3.1Å; E187-H246 IonicContact OE2-NE2 3.57Å |
| 188 | M | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.8 | -45.1 | 173.8 | -179.2 | -174.6 | 69.9 | 0 | 0 | 111 | I101 L148 C149 M152 L175 L184 V185 L186 Y190 W191 A192 W202 | I101-M188 HydrophobicContact CD1-CE 4.25Å; I101-M188 HydrophobicContact CD1-SD 4.26Å; L148-M188 HydrophobicContact CB-CB 4.47Å; L148-M188 HydrophobicContact CB-CG 4.03Å; L148-M188 HydrophobicContact CB-SD 3.6Å; L148-M188 VanDerWaalsContact CB-SD 3.6Å; C149-M188 VanDerWaalsContact SG-CG 3.6Å; C149-M188 PolarHBondContact SG-O 3.06Å; C149-M188 VanDerWaalsContact SG-O 3.36Å; M152-M188 HydrophobicContact CG-CE 3.89Å; M152-M188 HydrophobicContact CG-SD 3.63Å; M152-M188 HydrophobicContact SD-CE 4.42Å; L175-M188 HydrophobicContact CD1-CE 3.43Å; L175-M188 VanDerWaalsContact CD1-CE 3.43Å; L175-M188 HydrophobicContact CD2-CE 4.03Å; L175-M188 HydrophobicContact CG-CE 4.36Å; L184-M188 WeakPolarHBondContact O-CB 3.47Å; L184-M188 PolarHBondContact O-N 3.27Å; V185-M188 PolarHBondContact O-N 2.82Å; L186-M188 VanDerWaalsContact C-N 3.34Å; L186-M188 PolarHBondContact O-N 3.3Å; M188-Y190 VanDerWaalsContact C-N 3.31Å; M188-Y190 PolarHBondContact O-N 3.04Å; M188-W191 PolarHBondContact O-N 2.8Å; M188-A192 VanDerWaalsContact O-CB 3.23Å; M188-A192 WeakPolarHBondContact O-CB 3.49Å; M188-A192 PolarHBondContact O-N 3.41Å; M188-W202 HydrophobicContact CE-CH2 4.01Å; M188-W202 HydrophobicContact CE-CZ3 4.28Å; M188-W202 HydrophobicContact CG-CH2 4.23Å; M188-W202 HydrophobicContact CG-CZ2 4.38Å |
| 189 | I | 97.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.4 | -41 | 177.1 | -65.8 | 161.6 | 0 | 0 | 0 | 110.9 | L175 V185 L186 A192 H193 L206 L209 L255 | L175-I189 HydrophobicContact CD1-CD1 4.05Å; L175-I189 HydrophobicContact CD1-CG1 4.07Å; V185-I189 HydrophobicContact CG1-CD1 4.03Å; V185-I189 WeakPolarHBondContact O-CD1 3.33Å; V185-I189 VanDerWaalsContact O-CG1 3.26Å; V185-I189 WeakPolarHBondContact O-CG1 3.34Å; V185-I189 PolarHBondContact O-N 3.18Å; V185-I189 VanDerWaalsContact O-N 3.09Å; L186-I189 PolarHBondContact O-N 3.12Å; I189-A192 PolarHBondContact O-N 2.87Å; I189-H193 PolarHBondContact O-N 3.43Å; I189-H193 VanDerWaalsContact O-N 3.15Å; I189-H193 PolarHBondContact O-ND1 2.97Å; I189-L206 HydrophobicContact CD1-CD2 4Å; I189-L206 HydrophobicContact CG1-CD2 4.01Å; I189-L209 HydrophobicContact CD1-CD1 3.74Å; I189-L209 HydrophobicContact CD1-CD2 3.51Å; I189-L209 HydrophobicContact CD1-CG 4.31Å; I189-L255 HydrophobicContact CB-CD2 3.98Å; I189-L255 HydrophobicContact CG2-CD2 3.86Å |
| 190 | Y | 95.6 | Very high | 96.7 | Very high | 45 Ų | 45 | 35.4 Ų | 35.4 | 18% | 0.176 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59 | -53 | 175.4 | 170.1 | -98.6 | 0 | 0 | 0 | 111.3 | L186 E187 M188 A192 H193 M194 H246 L254 | L186-Y190 PolarHBondContact O-N 3.3Å; E187-Y190 WeakPolarHBondContact O-CB 3.38Å; E187-Y190 PolarHBondContact O-N 3.42Å; M188-Y190 VanDerWaalsContact C-N 3.31Å; M188-Y190 PolarHBondContact O-N 3.04Å; Y190-A192 VanDerWaalsContact C-N 3.28Å; Y190-A192 PolarHBondContact O-N 3.37Å; Y190-H193 PolarHBondContact O-N 2.97Å; Y190-H193 VanDerWaalsContact O-N 3.11Å; Y190-M194 HydrophobicContact CD1-CG 4.49Å; Y190-M194 HydrophobicContact CE1-CG 4.03Å; Y190-M194 HydrophobicContact CE2-CG 4.38Å; Y190-M194 HydrophobicContact CE2-SD 4.32Å; Y190-M194 PolarHBondContact O-N 2.91Å; Y190-H246 AromaticContact CD1-CE1 3.87Å; Y190-H246 AromaticContact CD2-CE1 3.22Å; Y190-H246 WeakPolarHBondContact CD2-CE1 3.36Å; Y190-H246 AromaticContact CD2-ND1 3.5Å; Y190-H246 WeakPolarHBondContact CD2-ND1 3.43Å; Y190-H246 AromaticContact CE2-CE1 3.65Å; Y190-H246 AromaticContact CE2-ND1 3.77Å; Y190-H246 AromaticContact CG-CE1 3.35Å; Y190-H246 AromaticContact CG-NE2 3.9Å; Y190-L254 HydrophobicContact CD2-CD1 4.07Å; Y190-L254 HydrophobicContact CE2-CD1 3.97Å |
| 191 | W | 95.9 | Very high | 96.4 | Very high | 74 Ų | 74 | 38 Ų | 38 | 28% | 0.28 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.7 | -35.9 | 179 | -78.3 | 111.4 | 0 | 0 | 0 | 112.9 | Q146 E187 M188 H193 M194 D195 | Q146-W191 HydrophobicContact CG-CB 4.42Å; Q146-W191 HydrophobicContact CG-CD2 3.71Å; Q146-W191 HydrophobicContact CG-CE3 4.07Å; Q146-W191 HydrophobicContact CG-CG 3.86Å; Q146-W191 VanDerWaalsContact NE2-CZ2 3.35Å; Q146-W191 VanDerWaalsContact NE2-CZ3 3.3Å; E187-W191 PolarHBondContact O-N 2.99Å; M188-W191 PolarHBondContact O-N 2.8Å; W191-H193 VanDerWaalsContact C-N 3.3Å; W191-H193 PolarHBondContact O-N 3.15Å; W191-M194 HydrophobicContact CE3-CB 4.41Å; W191-M194 WeakPolarHBondContact O-CB 3.49Å; W191-M194 PolarHBondContact O-N 3.08Å; W191-M194 VanDerWaalsContact O-N 3.12Å; W191-D195 PolarHBondContact O-N 3.45Å; W191-D195 VanDerWaalsContact O-N 3.12Å |
| 192 | A | 97 | Very high | 96.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.1 | -34.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | M188 I189 Y190 D195 L196 N199 W202 L203 | M188-A192 VanDerWaalsContact O-CB 3.23Å; M188-A192 WeakPolarHBondContact O-CB 3.49Å; M188-A192 PolarHBondContact O-N 3.41Å; I189-A192 PolarHBondContact O-N 2.87Å; Y190-A192 VanDerWaalsContact C-N 3.28Å; Y190-A192 PolarHBondContact O-N 3.37Å; A192-D195 CarbonylContact O-C 3.54Å; A192-D195 VanDerWaalsContact O-O 3.14Å; A192-L196 WeakPolarHBondContact O-CA 3.29Å; A192-L196 PolarHBondContact O-N 3.45Å; A192-N199 HydrophobicContact CB-CB 3.83Å; A192-W202 HydrophobicContact CB-CH2 3.51Å; A192-W202 HydrophobicContact CB-CZ2 3.21Å; A192-L203 HydrophobicContact CB-CD1 3.66Å; A192-L203 HydrophobicContact CB-CD2 4.02Å; A192-L203 HydrophobicContact CB-CG 3.99Å |
| 193 | H | 94.5 | Very high | 96.2 | Very high | 30 Ų | 30 | 38 Ų | 38 | 14% | 0.139 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -73.9 | -30.7 | 173.6 | -75.8 | 82.9 | 0 | 0 | 0 | 112.3 | I189 Y190 W191 D195 L254 S257 | I189-H193 PolarHBondContact O-N 3.43Å; I189-H193 VanDerWaalsContact O-N 3.15Å; I189-H193 PolarHBondContact O-ND1 2.97Å; Y190-H193 PolarHBondContact O-N 2.97Å; Y190-H193 VanDerWaalsContact O-N 3.11Å; W191-H193 VanDerWaalsContact C-N 3.3Å; W191-H193 PolarHBondContact O-N 3.15Å; H193-D195 VanDerWaalsContact C-N 3.27Å; H193-D195 PolarHBondContact O-N 3.03Å; H193-L254 HydrophobicContact CB-CB 4.09Å; H193-L254 HydrophobicContact CB-CD1 3.9Å; H193-L254 HydrophobicContact CB-CD2 4.27Å; H193-L254 HydrophobicContact CB-CG 4.31Å; H193-S257 PolarHBondContact CD2-OG 3.03Å; H193-S257 PolarHBondContact NE2-OG 2.85Å; H193-S257 VanDerWaalsContact NE2-OG 3.12Å |
| 194 | M | 92.9 | Very high | 96 | Very high | 109 Ų | 109 | 40 Ų | 40 | 54% | 0.537 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -67.5 | -29.4 | 175.3 | -64.6 | -59.5 | -62 | 0 | 0 | 112.2 | Y190 W191 L254 | Y190-M194 HydrophobicContact CD1-CG 4.49Å; Y190-M194 HydrophobicContact CE1-CG 4.03Å; Y190-M194 HydrophobicContact CE2-CG 4.38Å; Y190-M194 HydrophobicContact CE2-SD 4.32Å; Y190-M194 PolarHBondContact O-N 2.91Å; W191-M194 HydrophobicContact CE3-CB 4.41Å; W191-M194 WeakPolarHBondContact O-CB 3.49Å; W191-M194 PolarHBondContact O-N 3.08Å; W191-M194 VanDerWaalsContact O-N 3.12Å; M194-L254 HydrophobicContact SD-CD1 3.88Å |
| 195 | D | 94.9 | Very high | 95.9 | Very high | 74 Ų | 74 | 40 Ų | 40 | 40% | 0.396 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.5 | 62.5 | 172.6 | 179.4 | 17.2 | 0 | 0 | 0 | 110.2 | W191 A192 H193 E197 S198 N199 | W191-D195 PolarHBondContact O-N 3.45Å; W191-D195 VanDerWaalsContact O-N 3.12Å; A192-D195 CarbonylContact O-C 3.54Å; A192-D195 VanDerWaalsContact O-O 3.14Å; H193-D195 VanDerWaalsContact C-N 3.27Å; H193-D195 PolarHBondContact O-N 3.03Å; D195-E197 VanDerWaalsContact C-N 3.31Å; D195-E197 PolarHBondContact O-N 3.46Å; D195-S198 PolarHBondContact O-N 2.98Å; D195-S198 WeakPolarHBondContact OD1-CB 3.23Å; D195-S198 PolarHBondContact OD1-OG 3.19Å; D195-S198 VanDerWaalsContact OD2-CB 3.22Å; D195-S198 WeakPolarHBondContact OD2-CB 3.3Å; D195-S198 PolarHBondContact OD2-OG 3.4Å; D195-S198 VanDerWaalsContact OD2-OG 3.07Å; D195-N199 WeakPolarHBondContact O-CB 3.48Å; D195-N199 PolarHBondContact O-N 3.47Å; D195-N199 PolarHBondContact O-ND2 3.19Å |
| 196 | L | 92.6 | Very high | 95.8 | Very high | 84 Ų | 84 | 40 Ų | 40 | 44% | 0.44 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -61.7 | -38.6 | -173 | -178.1 | 61.5 | 0 | 0 | 0 | 112.3 | A192 S198 N199 N200 L203 | A192-L196 WeakPolarHBondContact O-CA 3.29Å; A192-L196 PolarHBondContact O-N 3.45Å; L196-S198 VanDerWaalsContact C-N 3.3Å; L196-S198 PolarHBondContact O-N 3.23Å; L196-N199 PolarHBondContact O-N 3.29Å; L196-N199 VanDerWaalsContact O-N 3.15Å; L196-N200 HydrophobicContact CD1-CB 4.2Å; L196-N200 HydrophobicContact CG-CB 4.48Å; L196-N200 WeakPolarHBondContact O-CA 3.4Å; L196-N200 VanDerWaalsContact O-CB 3.23Å; L196-N200 WeakPolarHBondContact O-CB 3.3Å; L196-N200 PolarHBondContact O-N 3.09Å; L196-L203 HydrophobicContact CD1-CD1 3.76Å |
| 197 | E | 94.6 | Very high | 95.7 | Very high | 186 Ų | 186 | 43.9 Ų | 43.9 | 87% | 0.869 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -56 | -46.2 | -178.2 | -173.8 | 178.1 | 172.4 | 0 | 0 | 111.6 | D195 | D195-E197 VanDerWaalsContact C-N 3.31Å; D195-E197 PolarHBondContact O-N 3.46Å |
| 198 | S | 95.9 | Very high | 95.6 | Very high | 54 Ų | 54 | 44.4 Ų | 44.4 | 38% | 0.378 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -76.9 | -21.7 | -178.8 | -50.3 | 0 | 0 | 0 | 0 | 113.5 | Q153 D195 L196 | Q153-S198 WeakPolarHBondContact CG-O 3.39Å; Q153-S198 PolarHBondContact NE2-O 2.97Å; D195-S198 PolarHBondContact O-N 2.98Å; D195-S198 WeakPolarHBondContact OD1-CB 3.23Å; D195-S198 PolarHBondContact OD1-OG 3.19Å; D195-S198 VanDerWaalsContact OD2-CB 3.22Å; D195-S198 WeakPolarHBondContact OD2-CB 3.3Å; D195-S198 PolarHBondContact OD2-OG 3.4Å; D195-S198 VanDerWaalsContact OD2-OG 3.07Å; L196-S198 VanDerWaalsContact C-N 3.3Å; L196-S198 PolarHBondContact O-N 3.23Å |
| 199 | N | 97 | Very high | 95.6 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.011 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -114.1 | -3.2 | -170.6 | -66.6 | -70.8 | 0 | 0 | 0 | 114.6 | C149 Q153 A192 D195 L196 N201 W202 L203 | C149-N199 WeakPolarHBondContact CB-OD1 3.26Å; Q153-N199 PolarHBondContact NE2-OD1 3.01Å; A192-N199 HydrophobicContact CB-CB 3.83Å; D195-N199 WeakPolarHBondContact O-CB 3.48Å; D195-N199 PolarHBondContact O-N 3.47Å; D195-N199 PolarHBondContact O-ND2 3.19Å; L196-N199 PolarHBondContact O-N 3.29Å; L196-N199 VanDerWaalsContact O-N 3.15Å; N199-N201 PolarHBondContact O-N 3.33Å; N199-W202 HydrophobicContact CB-CZ2 4.31Å; N199-W202 PolarHBondContact O-N 3.36Å; N199-W202 PolarHBondContact OD1-NE1 3.45Å; N199-L203 HydrophobicContact CB-CD1 4.03Å; N199-L203 HydrophobicContact CB-CG 4.41Å; N199-L203 VanDerWaalsContact O-CB 3.31Å; N199-L203 WeakPolarHBondContact O-CB 3.42Å; N199-L203 WeakPolarHBondContact O-CG 3.5Å; N199-L203 PolarHBondContact O-N 3.09Å |
| 200 | N | 95.2 | Very high | 95.7 | Very high | 82 Ų | 82 | 44.4 Ų | 44.4 | 44% | 0.439 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.4 | -29.4 | -175.9 | -170.9 | 48.7 | 0 | 0 | 0 | 112.5 | L196 W202 L203 C204 | L196-N200 HydrophobicContact CD1-CB 4.2Å; L196-N200 HydrophobicContact CG-CB 4.48Å; L196-N200 WeakPolarHBondContact O-CA 3.4Å; L196-N200 VanDerWaalsContact O-CB 3.23Å; L196-N200 WeakPolarHBondContact O-CB 3.3Å; L196-N200 PolarHBondContact O-N 3.09Å; N200-W202 PolarHBondContact O-N 3.04Å; N200-L203 PolarHBondContact O-N 3.39Å; N200-C204 VanDerWaalsContact O-CB 3.23Å; N200-C204 WeakPolarHBondContact O-CB 3.44Å; N200-C204 PolarHBondContact O-N 2.87Å; N200-C204 PolarHBondContact O-SG 2.9Å |
| 201 | N | 93.1 | Very high | 95.8 | Very high | 55 Ų | 55 | 42.2 Ų | 42.2 | 29% | 0.294 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -59.4 | -45.8 | -179.3 | 61.5 | -7.1 | 0 | 0 | 0 | 113.5 | N199 C204 C205 | N199-N201 PolarHBondContact O-N 3.33Å; N201-C204 PolarHBondContact O-SG 3.13Å; N201-C205 PolarHBondContact O-SG 3.18Å |
| 202 | W | 97.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -88.6 | -32.9 | 176.7 | 66.6 | -97.2 | 0 | 0 | 0 | 111.2 | M152 M156 I173 L175 M188 A192 N199 N200 C204 C205 L206 | M152-W202 HydrophobicContact CB-CB 4.39Å; M152-W202 HydrophobicContact CB-CD2 3.73Å; M152-W202 HydrophobicContact CB-CE3 4.47Å; M152-W202 HydrophobicContact CB-CG 3.68Å; M152-W202 HydrophobicContact CB-CZ2 4.21Å; M152-W202 HydrophobicContact CE-CB 3.98Å; M152-W202 HydrophobicContact CE-CD2 4.08Å; M152-W202 HydrophobicContact CE-CE3 3.94Å; M152-W202 HydrophobicContact CE-CG 4.15Å; M152-W202 HydrophobicContact CG-CD2 4.12Å; M152-W202 HydrophobicContact CG-CE3 4.39Å; M152-W202 HydrophobicContact CG-CG 4.5Å; M152-W202 HydrophobicContact CG-CZ2 4.28Å; M156-W202 HydrophobicContact CG-CB 3.59Å; M156-W202 HydrophobicContact SD-CB 3.87Å; I173-W202 HydrophobicContact CD1-CB 3.82Å; L175-W202 HydrophobicContact CD1-CZ3 4.3Å; M188-W202 HydrophobicContact CE-CH2 4.01Å; M188-W202 HydrophobicContact CE-CZ3 4.28Å; M188-W202 HydrophobicContact CG-CH2 4.23Å; M188-W202 HydrophobicContact CG-CZ2 4.38Å; A192-W202 HydrophobicContact CB-CH2 3.51Å; A192-W202 HydrophobicContact CB-CZ2 3.21Å; N199-W202 HydrophobicContact CB-CZ2 4.31Å; N199-W202 PolarHBondContact O-N 3.36Å; N199-W202 PolarHBondContact OD1-NE1 3.45Å; N200-W202 PolarHBondContact O-N 3.04Å; W202-C204 VanDerWaalsContact C-N 3.3Å; W202-C204 PolarHBondContact O-N 3.49Å; W202-C205 PolarHBondContact O-N 2.9Å; W202-C205 VanDerWaalsContact O-N 3.1Å; W202-L206 HydrophobicContact CZ3-CD2 4.28Å; W202-L206 PolarHBondContact O-N 3.4Å |
| 203 | L | 96.2 | Very high | 96 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.3 | -35.2 | 175.8 | -79.5 | 176.4 | 0 | 0 | 0 | 112.1 | A192 L196 N199 N200 C205 L206 K258 | A192-L203 HydrophobicContact CB-CD1 3.66Å; A192-L203 HydrophobicContact CB-CD2 4.02Å; A192-L203 HydrophobicContact CB-CG 3.99Å; L196-L203 HydrophobicContact CD1-CD1 3.76Å; N199-L203 HydrophobicContact CB-CD1 4.03Å; N199-L203 HydrophobicContact CB-CG 4.41Å; N199-L203 VanDerWaalsContact O-CB 3.31Å; N199-L203 WeakPolarHBondContact O-CB 3.42Å; N199-L203 WeakPolarHBondContact O-CG 3.5Å; N199-L203 PolarHBondContact O-N 3.09Å; N200-L203 PolarHBondContact O-N 3.39Å; L203-C205 PolarHBondContact O-N 3.13Å; L203-L206 HydrophobicContact CD2-CD2 4.29Å; L203-L206 PolarHBondContact O-N 3.07Å; L203-K258 WeakPolarHBondContact O-CE 3.43Å; L203-K258 PolarHBondContact O-NZ 2.92Å |
| 204 | C | 94.8 | Very high | 96.2 | Very high | 41 Ų | 41 | 37.3 Ų | 37.3 | 28% | 0.277 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -23.7 | 176.8 | 70 | 0 | 0 | 0 | 0 | 112.7 | N200 N201 W202 R207 | N200-C204 VanDerWaalsContact O-CB 3.23Å; N200-C204 WeakPolarHBondContact O-CB 3.44Å; N200-C204 PolarHBondContact O-N 2.87Å; N200-C204 PolarHBondContact O-SG 2.9Å; N201-C204 PolarHBondContact O-SG 3.13Å; W202-C204 VanDerWaalsContact C-N 3.3Å; W202-C204 PolarHBondContact O-N 3.49Å; C204-R207 VanDerWaalsContact O-CZ 3.31Å; C204-R207 PolarHBondContact O-NH1 2.92Å; C204-R207 PolarHBondContact O-NH2 2.92Å |
| 205 | C | 95.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -16.2 | 177.5 | -59.3 | 0 | 0 | 0 | 0 | 113 | D168 R172 I173 N201 W202 L203 R207 | D168-C205 PolarHBondContact O-SG 2.92Å; R172-C205 CarbonylContact C-O 3.58Å; R172-C205 WeakPolarHBondContact CA-O 3.45Å; I173-C205 HydrophobicContact CD1-CB 3.8Å; I173-C205 HydrophobicContact CG1-CB 3.81Å; I173-C205 PolarHBondContact N-O 2.77Å; N201-C205 PolarHBondContact O-SG 3.18Å; W202-C205 PolarHBondContact O-N 2.9Å; W202-C205 VanDerWaalsContact O-N 3.1Å; L203-C205 PolarHBondContact O-N 3.13Å; C205-R207 PolarHBondContact O-N 2.91Å |
| 206 | L | 96.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 124.9 | 179.2 | -175.2 | 63.5 | 0 | 0 | 0 | 112.2 | I173 L175 I189 W202 L203 L209 L260 | I173-L206 HydrophobicContact CB-CD1 4.42Å; I173-L206 HydrophobicContact CG2-CD1 4.17Å; L175-L206 HydrophobicContact CB-CD1 4.44Å; L175-L206 HydrophobicContact CD1-CD1 3.65Å; L175-L206 HydrophobicContact CD1-CD2 4.3Å; L175-L206 HydrophobicContact CG-CD1 3.57Å; I189-L206 HydrophobicContact CD1-CD2 4Å; I189-L206 HydrophobicContact CG1-CD2 4.01Å; W202-L206 HydrophobicContact CZ3-CD2 4.28Å; W202-L206 PolarHBondContact O-N 3.4Å; L203-L206 HydrophobicContact CD2-CD2 4.29Å; L203-L206 PolarHBondContact O-N 3.07Å; L206-L209 HydrophobicContact CD1-CD2 4.01Å; L206-L209 HydrophobicContact CD2-CD2 4.33Å; L206-L260 HydrophobicContact CB-CD2 4.32Å; L206-L260 HydrophobicContact CD2-CD1 3.9Å; L206-L260 HydrophobicContact CD2-CD2 4.11Å; L206-L260 HydrophobicContact CG-CD1 4.34Å; L206-L260 HydrophobicContact CG-CD2 3.73Å; L206-L260 WeakPolarHBondContact O-CD2 3.33Å |
| 207 | R | 95.5 | Very high | 96.9 | Very high | 82 Ų | 82 | 25.7 Ų | 25.7 | 31% | 0.309 | 13% | 0.132 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | -37.6 | 179.7 | -65 | -63.9 | 174.2 | -84.2 | -6.3 | 113.4 | R172 I173 C204 C205 L260 H261 | R172-R207 HydrophobicContact CB-CB 4.49Å; R172-R207 HydrophobicContact CB-CG 3.98Å; R172-R207 HydrophobicContact CG-CG 3.9Å; I173-R207 PolarHBondContact O-N 2.8Å; C204-R207 VanDerWaalsContact O-CZ 3.31Å; C204-R207 PolarHBondContact O-NH1 2.92Å; C204-R207 PolarHBondContact O-NH2 2.92Å; C205-R207 PolarHBondContact O-N 2.91Å; R207-L260 CarbonylContact O-C 3.5Å; R207-L260 VanDerWaalsContact O-CA 3.3Å; R207-L260 WeakPolarHBondContact O-CA 3.06Å; R207-H261 PolarHBondContact O-N 2.85Å |
| 208 | N | 97 | Very high | 97.1 | Very high | 13 Ų | 13 | 16.9 Ų | 16.9 | 7% | 0.07 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 141.1 | -168.5 | -56.6 | -46.9 | 0 | 0 | 0 | 111.6 | I173 T174 L175 H261 L335 | I173-N208 PolarHBondContact O-N 2.81Å; T174-N208 WeakPolarHBondContact CA-O 3.32Å; T174-N208 HydrophobicContact CG2-CB 3.81Å; T174-N208 WeakPolarHBondContact OG1-CB 3.35Å; T174-N208 PolarHBondContact OG1-ND2 2.91Å; L175-N208 PolarHBondContact N-O 3Å; N208-H261 CarbonylContact C-O 3.57Å; N208-H261 WeakPolarHBondContact CA-O 3.3Å; N208-L335 HydrophobicContact CB-CD2 3.66Å; N208-L335 HydrophobicContact CB-CG 4.39Å |
| 209 | L | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 129.3 | 170.5 | -55.2 | -175.8 | 0 | 0 | 0 | 109.3 | L175 V185 L186 I189 L206 L211 L260 H261 W262 I263 | L175-L209 HydrophobicContact CB-CD2 3.91Å; L175-L209 HydrophobicContact CD1-CD2 4.07Å; L175-L209 HydrophobicContact CG-CD2 4.33Å; L175-L209 CarbonylContact O-C 3.6Å; L175-L209 WeakPolarHBondContact O-CA 3.5Å; V185-L209 HydrophobicContact CG1-CD2 4.06Å; L186-L209 HydrophobicContact CD2-CD1 4.02Å; I189-L209 HydrophobicContact CD1-CD1 3.74Å; I189-L209 HydrophobicContact CD1-CD2 3.51Å; I189-L209 HydrophobicContact CD1-CG 4.31Å; L206-L209 HydrophobicContact CD1-CD2 4.01Å; L206-L209 HydrophobicContact CD2-CD2 4.33Å; L209-L211 HydrophobicContact CB-CD2 4.48Å; L209-L211 HydrophobicContact CB-CG 4.39Å; L209-L260 HydrophobicContact CD1-CD1 3.88Å; L209-L260 HydrophobicContact CD2-CD1 4.44Å; L209-L260 HydrophobicContact CG-CD1 4.1Å; L209-H261 PolarHBondContact N-O 2.8Å; L209-W262 HydrophobicContact CB-CD2 4.49Å; L209-W262 HydrophobicContact CD1-CD2 3.75Å; L209-W262 HydrophobicContact CD1-CE3 3.77Å; L209-W262 HydrophobicContact CD1-CH2 3.54Å; L209-W262 HydrophobicContact CD1-CZ2 3.51Å; L209-W262 HydrophobicContact CD1-CZ3 3.69Å; L209-I263 PolarHBondContact O-N 2.92Å |
| 210 | V | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 107.7 | 173.6 | -173.9 | 0 | 0 | 0 | 0 | 107.7 | T174 L175 F176 G177 I263 I328 I332 L335 | T174-V210 HydrophobicContact CG2-CG2 4.01Å; L175-V210 PolarHBondContact O-N 2.91Å; F176-V210 WeakPolarHBondContact CA-O 3.36Å; F176-V210 HydrophobicContact CB-CB 4.39Å; F176-V210 HydrophobicContact CD2-CB 3.58Å; F176-V210 HydrophobicContact CD2-CG1 3.38Å; F176-V210 HydrophobicContact CE2-CB 4.29Å; F176-V210 HydrophobicContact CE2-CG1 3.57Å; F176-V210 HydrophobicContact CG-CB 4.29Å; F176-V210 HydrophobicContact CG-CG1 4.44Å; G177-V210 PolarHBondContact N-O 3.1Å; V210-I263 HydrophobicContact CG1-CB 4.39Å; V210-I263 HydrophobicContact CG1-CG2 4.44Å; V210-I263 HydrophobicContact CG2-CB 4.38Å; V210-I263 HydrophobicContact CG2-CD1 4.34Å; V210-I328 HydrophobicContact CG1-CD1 4.15Å; V210-I332 HydrophobicContact CG1-CD1 4.36Å; V210-I332 HydrophobicContact CG1-CG1 4.2Å; V210-I332 HydrophobicContact CG2-CG1 4.22Å; V210-L335 HydrophobicContact CG2-CD2 4.37Å |
| 211 | L | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 92.3 | -171.2 | -53.3 | 174.9 | 0 | 0 | 0 | 107.9 | A182 V185 L186 L209 Y216 W262 I263 A265 L281 | A182-L211 HydrophobicContact CB-CB 4.13Å; A182-L211 HydrophobicContact CB-CD2 4.17Å; V185-L211 HydrophobicContact CB-CD2 4.22Å; V185-L211 HydrophobicContact CG1-CD2 3.92Å; L186-L211 HydrophobicContact CD1-CD1 4.11Å; L186-L211 HydrophobicContact CD2-CD1 3.92Å; L186-L211 HydrophobicContact CD2-CD2 4.18Å; L186-L211 HydrophobicContact CG-CD1 4.25Å; L186-L211 HydrophobicContact CG-CD2 4.37Å; L209-L211 HydrophobicContact CB-CD2 4.48Å; L209-L211 HydrophobicContact CB-CG 4.39Å; L211-Y216 WeakPolarHBondContact CB-OH 3.42Å; L211-Y216 HydrophobicContact CD1-CE1 4.41Å; L211-W262 HydrophobicContact CD1-CE3 3.71Å; L211-W262 HydrophobicContact CD1-CZ3 3.8Å; L211-I263 PolarHBondContact N-O 2.85Å; L211-A265 PolarHBondContact O-N 2.86Å; L211-L281 HydrophobicContact CD1-CD2 3.75Å |
| 212 | M | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 118.9 | -173.2 | -171.7 | 170.3 | 80.4 | 0 | 0 | 110.6 | F176 G177 H178 S179 G214 A265 M307 L316 I328 | F176-M212 HydrophobicContact CE1-CB 4.46Å; F176-M212 HydrophobicContact CE1-CE 4.16Å; F176-M212 HydrophobicContact CE2-CB 4.3Å; F176-M212 HydrophobicContact CE2-SD 4.35Å; F176-M212 HydrophobicContact CZ-CB 3.9Å; F176-M212 HydrophobicContact CZ-CE 3.61Å; F176-M212 HydrophobicContact CZ-CG 4.46Å; F176-M212 HydrophobicContact CZ-SD 3.74Å; G177-M212 PolarHBondContact O-N 3.14Å; H178-M212 CarbonylContact C-O 3.58Å; H178-M212 WeakPolarHBondContact CA-O 3.17Å; H178-M212 HydrophobicContact CB-CE 4.24Å; H178-M212 WeakPolarHBondContact CD2-CE 3.11Å; S179-M212 PolarHBondContact N-O 3.49Å; M212-G214 PolarHBondContact O-N 3.1Å; M212-A265 HydrophobicContact CB-CB 4.46Å; M212-A265 HydrophobicContact CG-CB 4.36Å; M212-M307 HydrophobicContact CG-CE 3.64Å; M212-M307 HydrophobicContact CG-SD 4.3Å; M212-M307 HydrophobicContact SD-CE 3.8Å; M212-M307 HydrophobicContact SD-SD 3.8Å; M212-L316 HydrophobicContact CE-CB 4.37Å; M212-I328 HydrophobicContact SD-CG1 4.11Å; M212-I328 HydrophobicContact SD-CG2 3.98Å |
| 213 | S | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.076 | C | C | . | . | S | Bend | trans | 55.1 | 36.7 | 173.1 | -67.3 | 0 | 0 | 0 | 0 | 113.6 | S179 A265 E270 M274 | S179-S213 VanDerWaalsContact CA-O 3.3Å; S179-S213 WeakPolarHBondContact CA-O 3.32Å; S213-A265 PolarHBondContact N-O 2.95Å; S213-E270 WeakPolarHBondContact CB-OE1 3.4Å; S213-E270 PolarHBondContact OG-OE1 2.94Å; S213-E270 PolarHBondContact OG-OE2 3.13Å; S213-E270 VanDerWaalsContact OG-OE2 3.09Å; S213-M274 WeakPolarHBondContact O-CE 3.46Å |
| 214 | G | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.076 | C | C | . | . | trans | -75.8 | 168.2 | -171 | 0 | 0 | 0 | 0 | 0 | 115.7 | S179 M212 Y216 Q277 | S179-G214 WeakPolarHBondContact O-CA 3.28Å; M212-G214 PolarHBondContact O-N 3.1Å; G214-Y216 WeakPolarHBondContact CA-OH 3.35Å; G214-Q277 WeakPolarHBondContact O-CB 3.19Å | ||
| 215 | V | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.066 | C | C | . | . | trans | -119.2 | 125.2 | 171.5 | -176.5 | 0 | 0 | 0 | 0 | 108 | Y105 W106 H183 L218 I221 M274 Q277 | Y105-V215 HydrophobicContact CE1-CG2 4.12Å; W106-V215 HydrophobicContact CH2-CB 4.47Å; W106-V215 HydrophobicContact CH2-CG1 4.43Å; H183-V215 VanDerWaalsContact CB-O 3.31Å; H183-V215 WeakPolarHBondContact CB-O 3.34Å; V215-L218 HydrophobicContact CG1-CD1 4.18Å; V215-I221 HydrophobicContact CG1-CD1 4.18Å; V215-I221 HydrophobicContact CG1-CG1 4.12Å; V215-M274 HydrophobicContact CG2-CE 3.88Å; V215-M274 HydrophobicContact CG2-SD 3.93Å; V215-Q277 HydrophobicContact CG1-CG 4.46Å | ||
| 216 | Y | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.066 | C | C | . | . | trans | -124.8 | -21.2 | -171.4 | -47.1 | -69.2 | 0 | 0 | 0 | 113 | A182 L186 L211 G214 S242 P243 I244 Q277 L281 | A182-Y216 HydrophobicContact CB-CE1 4.13Å; L186-Y216 HydrophobicContact CD1-CD1 3.82Å; L186-Y216 HydrophobicContact CD1-CE1 4.02Å; L211-Y216 WeakPolarHBondContact CB-OH 3.42Å; L211-Y216 HydrophobicContact CD1-CE1 4.41Å; G214-Y216 WeakPolarHBondContact CA-OH 3.35Å; Y216-S242 CarbonylContact O-C 3.59Å; Y216-S242 WeakPolarHBondContact O-CA 3.39Å; Y216-S242 WeakPolarHBondContact O-CB 3.31Å; Y216-P243 HydrophobicContact CD1-CB 4.44Å; Y216-P243 HydrophobicContact CD1-CG 4.4Å; Y216-P243 WeakPolarHBondContact O-CD 3.4Å; Y216-P243 VanDerWaalsContact O-N 3.09Å; Y216-I244 WeakPolarHBondContact O-CG2 3.37Å; Y216-I244 PolarHBondContact O-N 2.89Å; Y216-Q277 HydrophobicContact CD2-CB 4.11Å; Y216-Q277 WeakPolarHBondContact CD2-O 3.3Å; Y216-Q277 HydrophobicContact CE2-CB 4.49Å; Y216-L281 HydrophobicContact CD1-CD2 3.87Å; Y216-L281 HydrophobicContact CD2-CB 3.77Å; Y216-L281 HydrophobicContact CD2-CD2 3.95Å; Y216-L281 HydrophobicContact CD2-CG 4.44Å; Y216-L281 HydrophobicContact CE1-CD2 3.58Å; Y216-L281 HydrophobicContact CE2-CB 3.97Å; Y216-L281 HydrophobicContact CE2-CD2 3.69Å; Y216-L281 HydrophobicContact CE2-CG 4.49Å; Y216-L281 HydrophobicContact CG-CB 4.27Å; Y216-L281 HydrophobicContact CG-CD2 4.02Å; Y216-L281 VanDerWaalsContact CZ-CD2 3.47Å | ||
| 217 | D | 98.6 | Very high | 97.6 | Very high | 24 Ų | 24 | 15.2 Ų | 15.2 | 13% | 0.128 | 7% | 0.067 | C | C | . | . | trans | -113.9 | 111.2 | 168.9 | -176 | -1 | 0 | 0 | 0 | 109 | R219 P220 I244 Q277 | D217-R219 VanDerWaalsContact OD1-CB 3.32Å; D217-R219 WeakPolarHBondContact OD1-CB 3.33Å; D217-R219 VanDerWaalsContact OD1-CG 3.26Å; D217-R219 WeakPolarHBondContact OD1-CG 3.03Å; D217-R219 IonicContact OD1-CZ 3.31Å; D217-R219 PolarHBondContact OD1-N 3.47Å; D217-R219 IonicContact OD1-NE 2.7Å; D217-R219 PolarHBondContact OD1-NE 2.76Å; D217-R219 IonicContact OD1-NH2 2.66Å; D217-R219 IonicContact OD2-CZ 2.68Å; D217-R219 IonicContact OD2-NE 3.93Å; D217-R219 PolarHBondContact OD2-NE 3.13Å; D217-R219 VanDerWaalsContact OD2-NE 3.16Å; D217-R219 IonicContact OD2-NH2 3.57Å; D217-R219 PolarHBondContact OD2-NH2 3.36Å; D217-P220 WeakPolarHBondContact O-CD 3.15Å; D217-I244 HydrophobicContact CB-CD1 3.77Å; D217-I244 HydrophobicContact CB-CG1 4.06Å; D217-I244 HydrophobicContact CB-CG2 4.24Å; D217-Q277 PolarHBondContact O-NE2 2.75Å | ||
| 218 | L | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 8% | 0.079 | C | C | . | . | trans | -90.8 | -4.7 | -177.7 | -80.8 | 70 | 0 | 0 | 0 | 112.1 | W106 L141 H183 V215 P220 I221 F232 A238 V241 S242 | W106-L218 HydrophobicContact CH2-CD1 4.32Å; W106-L218 HydrophobicContact CH2-CD2 3.75Å; W106-L218 HydrophobicContact CH2-CG 3.96Å; W106-L218 HydrophobicContact CZ2-CD1 4.41Å; W106-L218 HydrophobicContact CZ2-CD2 3.91Å; W106-L218 HydrophobicContact CZ2-CG 4.38Å; W106-L218 HydrophobicContact CZ3-CD2 4.42Å; L141-L218 HydrophobicContact CD2-CD2 3.46Å; L141-L218 VanDerWaalsContact CD2-CD2 3.46Å; H183-L218 VanDerWaalsContact CD2-CD1 3.48Å; H183-L218 WeakPolarHBondContact CD2-CD1 3.34Å; V215-L218 HydrophobicContact CG1-CD1 4.18Å; L218-P220 VanDerWaalsContact C-N 3.34Å; L218-I221 HydrophobicContact CB-CB 4.48Å; L218-I221 HydrophobicContact CB-CG1 4.38Å; L218-I221 HydrophobicContact CG-CG1 4.32Å; L218-I221 WeakPolarHBondContact O-CA 3.26Å; L218-I221 VanDerWaalsContact O-CB 3.22Å; L218-I221 WeakPolarHBondContact O-CB 3.4Å; L218-I221 PolarHBondContact O-N 2.93Å; L218-F232 HydrophobicContact CB-CE2 4.43Å; L218-F232 HydrophobicContact CD2-CE2 4.02Å; L218-F232 HydrophobicContact CD2-CZ 4.16Å; L218-A238 HydrophobicContact CB-CB 4.19Å; L218-V241 HydrophobicContact CD2-CG2 3.98Å; L218-S242 PolarHBondContact N-OG 2.92Å | ||
| 219 | R | 98.2 | Very high | 97.4 | Very high | 87 Ų | 87 | 17.4 Ų | 17.4 | 33% | 0.328 | 8% | 0.08 | S | C | . | . | G | 310 helix | trans | -56.9 | -41.4 | 178.4 | -60.3 | 173.8 | -68.7 | 175.7 | 1.4 | 112.6 | D217 I221 I222 I235 L239 | D217-R219 VanDerWaalsContact OD1-CB 3.32Å; D217-R219 WeakPolarHBondContact OD1-CB 3.33Å; D217-R219 VanDerWaalsContact OD1-CG 3.26Å; D217-R219 WeakPolarHBondContact OD1-CG 3.03Å; D217-R219 IonicContact OD1-CZ 3.31Å; D217-R219 PolarHBondContact OD1-N 3.47Å; D217-R219 IonicContact OD1-NE 2.7Å; D217-R219 PolarHBondContact OD1-NE 2.76Å; D217-R219 IonicContact OD1-NH2 2.66Å; D217-R219 IonicContact OD2-CZ 2.68Å; D217-R219 IonicContact OD2-NE 3.93Å; D217-R219 PolarHBondContact OD2-NE 3.13Å; D217-R219 VanDerWaalsContact OD2-NE 3.16Å; D217-R219 IonicContact OD2-NH2 3.57Å; D217-R219 PolarHBondContact OD2-NH2 3.36Å; R219-I221 VanDerWaalsContact C-N 3.26Å; R219-I221 PolarHBondContact O-N 3.39Å; R219-I222 VanDerWaalsContact O-CG1 3.28Å; R219-I222 WeakPolarHBondContact O-CG1 3.24Å; R219-I235 HydrophobicContact CB-CG2 4.14Å; R219-I235 HydrophobicContact CG-CG2 3.73Å; R219-L239 HydrophobicContact CG-CB 4.1Å |
| 220 | P | 98 | Very high | 97.3 | Very high | 31 Ų | 31 | 18.6 Ų | 18.6 | 20% | 0.201 | 9% | 0.086 | C | C | . | . | G | 310 helix | trans | -66.3 | -27.9 | 173.8 | -20.9 | 34.7 | 0 | 0 | 0 | 113.3 | L15 Y19 D217 L218 I222 H223 | L15-P220 HydrophobicContact CD1-CB 4.25Å; L15-P220 HydrophobicContact CD2-CB 4.03Å; L15-P220 VanDerWaalsContact CD2-O 3.3Å; L15-P220 WeakPolarHBondContact CD2-O 3.18Å; Y19-P220 HydrophobicContact CE2-CB 3.71Å; D217-P220 WeakPolarHBondContact O-CD 3.15Å; L218-P220 VanDerWaalsContact C-N 3.34Å; P220-I222 PolarHBondContact O-N 3.38Å; P220-H223 PolarHBondContact O-N 3.27Å |
| 221 | I | 97.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | G | 310 helix | trans | -63.2 | -28.6 | -175.9 | -61.2 | -63.8 | 0 | 0 | 0 | 111.6 | Y19 Y105 V215 L218 R219 H223 T224 V226 I230 | Y19-I221 HydrophobicContact CD1-CD1 3.49Å; Y19-I221 VanDerWaalsContact CD1-CD1 3.49Å; Y19-I221 HydrophobicContact CD2-CD1 4.35Å; Y19-I221 HydrophobicContact CE1-CD1 3.57Å; Y19-I221 HydrophobicContact CE2-CD1 4.42Å; Y19-I221 HydrophobicContact CG-CD1 3.91Å; Y105-I221 HydrophobicContact CE1-CD1 4.3Å; V215-I221 HydrophobicContact CG1-CD1 4.18Å; V215-I221 HydrophobicContact CG1-CG1 4.12Å; L218-I221 HydrophobicContact CB-CB 4.48Å; L218-I221 HydrophobicContact CB-CG1 4.38Å; L218-I221 HydrophobicContact CG-CG1 4.32Å; L218-I221 WeakPolarHBondContact O-CA 3.26Å; L218-I221 VanDerWaalsContact O-CB 3.22Å; L218-I221 WeakPolarHBondContact O-CB 3.4Å; L218-I221 PolarHBondContact O-N 2.93Å; R219-I221 VanDerWaalsContact C-N 3.26Å; R219-I221 PolarHBondContact O-N 3.39Å; I221-H223 PolarHBondContact O-N 3.12Å; I221-H223 VanDerWaalsContact O-N 3.08Å; I221-T224 WeakPolarHBondContact O-CB 3.12Å; I221-T224 PolarHBondContact O-N 2.95Å; I221-T224 PolarHBondContact O-OG1 3.24Å; I221-V226 HydrophobicContact CG2-CB 3.89Å; I221-V226 HydrophobicContact CG2-CG1 3.65Å; I221-I230 HydrophobicContact CG2-CD1 4.15Å |
| 222 | I | 96.7 | Very high | 97 | Very high | 4 Ų | 4 | 23.4 Ų | 23.4 | 2% | 0.021 | 11% | 0.107 | C | C | . | . | G | 310 helix | trans | -58.8 | -25.7 | -179.2 | 79.5 | -172.7 | 0 | 0 | 0 | 113.1 | P9 R219 P220 N227 F232 I235 A238 | P9-I222 HydrophobicContact CB-CG1 4.3Å; P9-I222 HydrophobicContact CG-CB 4.34Å; P9-I222 HydrophobicContact CG-CD1 4.35Å; P9-I222 HydrophobicContact CG-CG1 4.3Å; R219-I222 VanDerWaalsContact O-CG1 3.28Å; R219-I222 WeakPolarHBondContact O-CG1 3.24Å; P220-I222 PolarHBondContact O-N 3.38Å; I222-N227 WeakPolarHBondContact O-CB 3.17Å; I222-N227 PolarHBondContact O-ND2 3.36Å; I222-F232 HydrophobicContact CG2-CB 3.82Å; I222-F232 HydrophobicContact CG2-CD2 4.02Å; I222-F232 HydrophobicContact CG2-CG 4.29Å; I222-I235 HydrophobicContact CD1-CB 4.39Å; I222-I235 HydrophobicContact CD1-CD1 4.41Å; I222-I235 HydrophobicContact CD1-CG1 3.38Å; I222-A238 HydrophobicContact CG2-CB 3.44Å; I222-A238 VanDerWaalsContact CG2-CB 3.44Å |
| 223 | H | 97.2 | Very high | 96.8 | Very high | 55 Ų | 55 | 30 Ų | 30 | 26% | 0.255 | 14% | 0.136 | S | C | . | . | G | 310 helix | trans | -100 | 23.8 | -178.8 | -66 | -63.8 | 0 | 0 | 0 | 112.7 | E10 I11 V12 L15 P220 I221 | E10-H223 WeakPolarHBondContact O-CA 3.37Å; E10-H223 PolarHBondContact O-ND1 3.47Å; I11-H223 WeakPolarHBondContact CA-O 3.31Å; V12-H223 HydrophobicContact CB-CB 4.31Å; V12-H223 HydrophobicContact CG2-CB 4.01Å; V12-H223 PolarHBondContact N-O 2.92Å; L15-H223 HydrophobicContact CD2-CB 3.88Å; P220-H223 PolarHBondContact O-N 3.27Å; I221-H223 PolarHBondContact O-N 3.12Å; I221-H223 VanDerWaalsContact O-N 3.08Å |
| 224 | T | 97 | Very high | 96.7 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -127.2 | 165.7 | -178.4 | 73.5 | 0 | 0 | 0 | 0 | 111.3 | L15 D16 Y19 I221 V226 N227 | L15-T224 HydrophobicContact CG-CG2 4.3Å; D16-T224 WeakPolarHBondContact OD1-CA 3.45Å; Y19-T224 HydrophobicContact CD2-CG2 3.72Å; Y19-T224 HydrophobicContact CG-CG2 4.13Å; I221-T224 WeakPolarHBondContact O-CB 3.12Å; I221-T224 PolarHBondContact O-N 2.95Å; I221-T224 PolarHBondContact O-OG1 3.24Å; T224-V226 PolarHBondContact O-N 3.2Å; T224-V226 VanDerWaalsContact O-N 3.09Å; T224-V226 WeakPolarHBondContact OG1-CB 3.43Å; T224-V226 PolarHBondContact OG1-N 2.96Å; T224-N227 WeakPolarHBondContact O-CB 3.39Å; T224-N227 PolarHBondContact O-N 2.79Å |
| 225 | Y | 95.2 | Very high | 96.7 | Very high | 19 Ų | 19 | 36.4 Ų | 36.4 | 8% | 0.075 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -25.9 | 175.3 | 83.3 | -84.6 | 0 | 0 | 0 | 113 | D16 R20 R39 Y105 N227 K228 | D16-Y225 WeakPolarHBondContact OD1-CB 3.38Å; D16-Y225 VanDerWaalsContact OD1-CD1 3.31Å; D16-Y225 WeakPolarHBondContact OD1-CD1 3.15Å; D16-Y225 PolarHBondContact OD1-N 2.92Å; R20-Y225 HydrophobicContact CG-CD1 3.8Å; R20-Y225 HydrophobicContact CG-CE1 3.55Å; R39-Y225 PolarHBondContact NH2-OH 3.24Å; Y105-Y225 WeakPolarHBondContact CD2-OH 3.43Å; Y225-N227 PolarHBondContact O-N 3.14Å; Y225-K228 WeakPolarHBondContact O-CB 3.38Å; Y225-K228 WeakPolarHBondContact O-CG 3.47Å; Y225-K228 PolarHBondContact O-N 3.19Å; Y225-K228 VanDerWaalsContact O-N 3.17Å |
| 226 | V | 95.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -34.3 | 178.3 | 174.3 | 0 | 0 | 0 | 0 | 110.7 | Y105 W106 I221 T224 K228 A229 I230 | Y105-V226 HydrophobicContact CD1-CB 4.49Å; Y105-V226 HydrophobicContact CD1-CG1 3.95Å; Y105-V226 HydrophobicContact CD1-CG2 3.76Å; Y105-V226 HydrophobicContact CD2-CG2 3.83Å; Y105-V226 HydrophobicContact CE1-CG2 4.16Å; Y105-V226 HydrophobicContact CE2-CG2 4.22Å; Y105-V226 HydrophobicContact CG-CG1 4.1Å; Y105-V226 HydrophobicContact CG-CG2 3.59Å; W106-V226 HydrophobicContact CE3-CG1 4.16Å; W106-V226 HydrophobicContact CZ3-CG1 4Å; I221-V226 HydrophobicContact CG2-CB 3.89Å; I221-V226 HydrophobicContact CG2-CG1 3.65Å; T224-V226 PolarHBondContact O-N 3.2Å; T224-V226 VanDerWaalsContact O-N 3.09Å; T224-V226 WeakPolarHBondContact OG1-CB 3.43Å; T224-V226 PolarHBondContact OG1-N 2.96Å; V226-K228 PolarHBondContact O-N 2.93Å; V226-A229 PolarHBondContact O-N 3.4Å; V226-A229 VanDerWaalsContact O-N 3.14Å; V226-I230 HydrophobicContact CG1-CD1 3.67Å; V226-I230 HydrophobicContact CG1-CG1 4.29Å; V226-I230 PolarHBondContact O-N 3.41Å |
| 227 | N | 96.6 | Very high | 96.5 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.016 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68 | -15.4 | -179.4 | -161 | 34.3 | 0 | 0 | 0 | 113.6 | I222 T224 Y225 A229 I230 K231 F232 | I222-N227 WeakPolarHBondContact O-CB 3.17Å; I222-N227 PolarHBondContact O-ND2 3.36Å; T224-N227 WeakPolarHBondContact O-CB 3.39Å; T224-N227 PolarHBondContact O-N 2.79Å; Y225-N227 PolarHBondContact O-N 3.14Å; N227-A229 PolarHBondContact O-N 2.92Å; N227-I230 PolarHBondContact O-N 3.01Å; N227-K231 VanDerWaalsContact O-CA 3.31Å; N227-K231 WeakPolarHBondContact O-CA 3.46Å; N227-K231 PolarHBondContact O-N 3Å; N227-K231 PolarHBondContact OD1-N 2.77Å; N227-F232 PolarHBondContact ND2-O 3.42Å; N227-F232 WeakPolarHBondContact OD1-CB 3.47Å; N227-F232 PolarHBondContact OD1-N 3.06Å |
| 228 | K | 94.9 | Very high | 96.5 | Very high | 131 Ų | 131 | 45 Ų | 45 | 57% | 0.57 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -60.9 | -32.1 | 172.3 | -63.5 | -177 | -179.1 | -175.4 | 0 | 112.2 | Y225 V226 | Y225-K228 WeakPolarHBondContact O-CB 3.38Å; Y225-K228 WeakPolarHBondContact O-CG 3.47Å; Y225-K228 PolarHBondContact O-N 3.19Å; Y225-K228 VanDerWaalsContact O-N 3.17Å; V226-K228 PolarHBondContact O-N 2.93Å |
| 229 | A | 94.7 | Very high | 96.4 | Very high | 10 Ų | 10 | 47 Ų | 47 | 8% | 0.083 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -87.1 | -44 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q107 A136 P137 V226 N227 | Q107-A229 HydrophobicContact CB-CB 3.77Å; Q107-A229 HydrophobicContact CG-CB 4.35Å; A136-A229 HydrophobicContact CB-CB 4.13Å; P137-A229 VanDerWaalsContact CA-O 3.3Å; P137-A229 WeakPolarHBondContact CA-O 3.43Å; P137-A229 VanDerWaalsContact CB-O 3.28Å; P137-A229 WeakPolarHBondContact CB-O 3.4Å; V226-A229 PolarHBondContact O-N 3.4Å; V226-A229 VanDerWaalsContact O-N 3.14Å; N227-A229 PolarHBondContact O-N 2.92Å |
| 230 | I | 95.2 | Very high | 96.4 | Very high | 26 Ų | 26 | 45.6 Ų | 45.6 | 13% | 0.133 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -76.7 | -35.9 | -174.3 | -53.2 | 174.4 | 0 | 0 | 0 | 112.4 | W106 L141 I221 V226 N227 F232 | W106-I230 HydrophobicContact CD2-CD1 4.28Å; W106-I230 HydrophobicContact CE3-CD1 3.4Å; W106-I230 HydrophobicContact CE3-CG1 4.32Å; W106-I230 HydrophobicContact CZ3-CD1 3.61Å; L141-I230 HydrophobicContact CD1-CD1 4.37Å; L141-I230 HydrophobicContact CD1-CG1 4.16Å; L141-I230 HydrophobicContact CD1-CG2 3.82Å; L141-I230 HydrophobicContact CD2-CD1 4.34Å; L141-I230 HydrophobicContact CD2-CG2 4.46Å; I221-I230 HydrophobicContact CG2-CD1 4.15Å; V226-I230 HydrophobicContact CG1-CD1 3.67Å; V226-I230 HydrophobicContact CG1-CG1 4.29Å; V226-I230 PolarHBondContact O-N 3.41Å; N227-I230 PolarHBondContact O-N 3.01Å; I230-F232 HydrophobicContact CB-CD2 4.31Å; I230-F232 HydrophobicContact CB-CE2 4.2Å; I230-F232 HydrophobicContact CD1-CE2 4.14Å; I230-F232 HydrophobicContact CG2-CD1 4.13Å; I230-F232 HydrophobicContact CG2-CD2 3.69Å; I230-F232 HydrophobicContact CG2-CE1 3.79Å; I230-F232 HydrophobicContact CG2-CE2 3.32Å; I230-F232 HydrophobicContact CG2-CG 4.09Å; I230-F232 HydrophobicContact CG2-CZ 3.36Å |
| 231 | K | 95.1 | Very high | 96.3 | Very high | 87 Ų | 87 | 44.3 Ų | 44.3 | 38% | 0.378 | 22% | 0.216 | S | C | . | . | trans | 63.2 | 41.3 | 176.5 | -54 | -174.1 | 175.3 | -127.6 | 0 | 115 | D5 L8 N227 K233 | D5-K231 IonicContact OD1-NZ 3.96Å; D5-K231 PolarHBondContact OD1-NZ 3.06Å; D5-K231 WeakPolarHBondContact OD2-CE 3.46Å; D5-K231 IonicContact OD2-NZ 3.29Å; D5-K231 PolarHBondContact OD2-NZ 3.31Å; L8-K231 HydrophobicContact CD1-CG 4.49Å; L8-K231 HydrophobicContact CD2-CB 4.07Å; N227-K231 VanDerWaalsContact O-CA 3.31Å; N227-K231 WeakPolarHBondContact O-CA 3.46Å; N227-K231 PolarHBondContact O-N 3Å; N227-K231 PolarHBondContact OD1-N 2.77Å; K231-K233 PolarHBondContact O-N 3.34Å | ||
| 232 | F | 95.9 | Very high | 96.3 | Very high | 14 Ų | 14 | 44.3 Ų | 44.3 | 6% | 0.061 | 22% | 0.216 | C | C | . | . | trans | -64.8 | 131.5 | 165.6 | -63.2 | -53.5 | 0 | 0 | 0 | 110.3 | P9 L141 L218 I222 N227 I230 E237 A238 V241 | P9-F232 VanDerWaalsContact CD-O 3.27Å; P9-F232 WeakPolarHBondContact CD-O 3.38Å; L141-F232 HydrophobicContact CD2-CZ 4.16Å; L218-F232 HydrophobicContact CB-CE2 4.43Å; L218-F232 HydrophobicContact CD2-CE2 4.02Å; L218-F232 HydrophobicContact CD2-CZ 4.16Å; I222-F232 HydrophobicContact CG2-CB 3.82Å; I222-F232 HydrophobicContact CG2-CD2 4.02Å; I222-F232 HydrophobicContact CG2-CG 4.29Å; N227-F232 PolarHBondContact ND2-O 3.42Å; N227-F232 WeakPolarHBondContact OD1-CB 3.47Å; N227-F232 PolarHBondContact OD1-N 3.06Å; I230-F232 HydrophobicContact CB-CD2 4.31Å; I230-F232 HydrophobicContact CB-CE2 4.2Å; I230-F232 HydrophobicContact CD1-CE2 4.14Å; I230-F232 HydrophobicContact CG2-CD1 4.13Å; I230-F232 HydrophobicContact CG2-CD2 3.69Å; I230-F232 HydrophobicContact CG2-CE1 3.79Å; I230-F232 HydrophobicContact CG2-CE2 3.32Å; I230-F232 HydrophobicContact CG2-CG 4.09Å; I230-F232 HydrophobicContact CG2-CZ 3.36Å; F232-E237 HydrophobicContact CD1-CB 3.81Å; F232-E237 HydrophobicContact CE1-CB 4.5Å; F232-A238 HydrophobicContact CD2-CB 3.91Å; F232-A238 HydrophobicContact CE2-CB 4.13Å; F232-A238 HydrophobicContact CG-CB 4.13Å; F232-V241 HydrophobicContact CE1-CG2 3.93Å; F232-V241 HydrophobicContact CZ-CG2 3.5Å | ||
| 233 | K | 95.3 | Very high | 96.4 | Very high | 137 Ų | 137 | 44.1 Ų | 44.1 | 60% | 0.596 | 22% | 0.215 | S | C | * | . | trans | -94.9 | -28.4 | 175.5 | -63.4 | -176.8 | 177.8 | -175.1 | 0 | 112 | K231 E237 | K231-K233 PolarHBondContact O-N 3.34Å; K233-E237 PolarHBondContact N-OE2 2.92Å | ||
| 234 | T | 95.7 | Very high | 96.4 | Very high | 52 Ų | 52 | 42.2 Ų | 42.2 | 32% | 0.319 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -133.3 | 162.5 | -177.3 | 89 | 0 | 0 | 0 | 0 | 113.2 | E236 E237 A238 | T234-E236 VanDerWaalsContact C-N 3.25Å; T234-E236 WeakPolarHBondContact CB-OE2 3.44Å; T234-E236 PolarHBondContact O-N 2.76Å; T234-E236 PolarHBondContact OG1-N 3.18Å; T234-E236 PolarHBondContact OG1-OE2 2.54Å; T234-E237 PolarHBondContact N-OE2 2.79Å; T234-E237 PolarHBondContact O-N 3.39Å; T234-E237 PolarHBondContact OG1-N 2.83Å; T234-A238 PolarHBondContact O-N 2.91Å |
| 235 | I | 97 | Very high | 96.3 | Very high | 83 Ų | 83 | 43.4 Ų | 43.4 | 43% | 0.426 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64.4 | -34.9 | 174.6 | -69.8 | 172.1 | 0 | 0 | 0 | 110.4 | R219 I222 A238 L239 | R219-I235 HydrophobicContact CB-CG2 4.14Å; R219-I235 HydrophobicContact CG-CG2 3.73Å; I222-I235 HydrophobicContact CD1-CB 4.39Å; I222-I235 HydrophobicContact CD1-CD1 4.41Å; I222-I235 HydrophobicContact CD1-CG1 3.38Å; I235-A238 PolarHBondContact O-N 3.15Å; I235-L239 WeakPolarHBondContact O-CB 3.48Å; I235-L239 PolarHBondContact O-N 3.27Å |
| 236 | E | 97 | Very high | 96.2 | Very high | 128 Ų | 128 | 42.9 Ų | 42.9 | 60% | 0.598 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -66.5 | -41.2 | -180 | -61.5 | 68.7 | -148.9 | 0 | 0 | 111.4 | T234 A238 L239 S240 | T234-E236 VanDerWaalsContact C-N 3.25Å; T234-E236 WeakPolarHBondContact CB-OE2 3.44Å; T234-E236 PolarHBondContact O-N 2.76Å; T234-E236 PolarHBondContact OG1-N 3.18Å; T234-E236 PolarHBondContact OG1-OE2 2.54Å; E236-A238 VanDerWaalsContact C-N 3.34Å; E236-A238 PolarHBondContact O-N 3.5Å; E236-L239 PolarHBondContact O-N 3.15Å; E236-S240 WeakPolarHBondContact O-CB 3.4Å; E236-S240 PolarHBondContact O-N 3.27Å |
| 237 | E | 96.9 | Very high | 96.1 | Very high | 76 Ų | 76 | 44.4 Ų | 44.4 | 36% | 0.355 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59.4 | -46.8 | 173.8 | -68.6 | 178.7 | 164.2 | 0 | 0 | 110.5 | F232 K233 T234 L239 S240 | F232-E237 HydrophobicContact CD1-CB 3.81Å; F232-E237 HydrophobicContact CE1-CB 4.5Å; K233-E237 PolarHBondContact N-OE2 2.92Å; T234-E237 PolarHBondContact N-OE2 2.79Å; T234-E237 PolarHBondContact O-N 3.39Å; T234-E237 PolarHBondContact OG1-N 2.83Å; E237-L239 PolarHBondContact O-N 3.27Å; E237-S240 WeakPolarHBondContact O-CB 3.46Å; E237-S240 PolarHBondContact O-N 3.16Å; E237-S240 PolarHBondContact O-OG 3.47Å |
| 238 | A | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.9 | -40.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L218 I222 F232 T234 I235 E236 S240 V241 S242 | L218-A238 HydrophobicContact CB-CB 4.19Å; I222-A238 HydrophobicContact CG2-CB 3.44Å; I222-A238 VanDerWaalsContact CG2-CB 3.44Å; F232-A238 HydrophobicContact CD2-CB 3.91Å; F232-A238 HydrophobicContact CE2-CB 4.13Å; F232-A238 HydrophobicContact CG-CB 4.13Å; T234-A238 PolarHBondContact O-N 2.91Å; I235-A238 PolarHBondContact O-N 3.15Å; E236-A238 VanDerWaalsContact C-N 3.34Å; E236-A238 PolarHBondContact O-N 3.5Å; A238-S240 VanDerWaalsContact C-N 3.3Å; A238-S240 PolarHBondContact O-N 3.18Å; A238-V241 PolarHBondContact O-N 3.48Å; A238-S242 PolarHBondContact O-N 2.73Å; A238-S242 PolarHBondContact O-OG 3.12Å |
| 239 | L | 97.7 | Very high | 95 | Very high | 44 Ų | 44 | 48.8 Ų | 48.8 | 23% | 0.23 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.8 | -35.3 | 175.5 | -177.7 | 60.7 | 0 | 0 | 0 | 111.5 | R219 I235 E236 E237 V241 S242 I244 R245 M248 | R219-L239 HydrophobicContact CG-CB 4.1Å; I235-L239 WeakPolarHBondContact O-CB 3.48Å; I235-L239 PolarHBondContact O-N 3.27Å; E236-L239 PolarHBondContact O-N 3.15Å; E237-L239 PolarHBondContact O-N 3.27Å; L239-V241 PolarHBondContact O-N 3.02Å; L239-V241 VanDerWaalsContact O-N 3.12Å; L239-S242 WeakPolarHBondContact O-CB 3.13Å; L239-S242 PolarHBondContact O-N 2.99Å; L239-I244 HydrophobicContact CD1-CD1 4.39Å; L239-I244 HydrophobicContact CD1-CG1 4.38Å; L239-R245 HydrophobicContact CD1-CB 4.13Å; L239-R245 VanDerWaalsContact O-CD 3.23Å; L239-R245 WeakPolarHBondContact O-CD 3.42Å; L239-M248 HydrophobicContact CD1-SD 4.08Å; L239-M248 HydrophobicContact CD2-CE 4.5Å |
| 240 | S | 96.3 | Very high | 93.8 | Very high | 57 Ų | 57 | 56.6 Ų | 56.6 | 40% | 0.399 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.5 | -19.9 | -177.5 | 79.1 | 0 | 0 | 0 | 0 | 114 | E236 E237 A238 R245 | E236-S240 WeakPolarHBondContact O-CB 3.4Å; E236-S240 PolarHBondContact O-N 3.27Å; E237-S240 WeakPolarHBondContact O-CB 3.46Å; E237-S240 PolarHBondContact O-N 3.16Å; E237-S240 PolarHBondContact O-OG 3.47Å; A238-S240 VanDerWaalsContact C-N 3.3Å; A238-S240 PolarHBondContact O-N 3.18Å; S240-R245 WeakPolarHBondContact O-CD 3.23Å; S240-R245 PolarHBondContact O-NE 3.19Å; S240-R245 PolarHBondContact O-NH1 2.8Å; S240-R245 PolarHBondContact O-NH2 3.18Å |
| 241 | V | 96.8 | Very high | 92.8 | Very high | 3 Ų | 3 | 58.8 Ų | 58.8 | 2% | 0.018 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | 13.7 | 174.2 | -62.5 | 0 | 0 | 0 | 0 | 113.1 | L141 E142 H183 L218 F232 A238 L239 P243 R245 | L141-V241 HydrophobicContact CD2-CG2 4.29Å; E142-V241 HydrophobicContact CG-CG1 3.46Å; E142-V241 VanDerWaalsContact CG-CG1 3.46Å; E142-V241 VanDerWaalsContact OE1-CG1 3.22Å; E142-V241 WeakPolarHBondContact OE1-CG1 3.4Å; H183-V241 PolarHBondContact NE2-O 3.45Å; L218-V241 HydrophobicContact CD2-CG2 3.98Å; F232-V241 HydrophobicContact CE1-CG2 3.93Å; F232-V241 HydrophobicContact CZ-CG2 3.5Å; A238-V241 PolarHBondContact O-N 3.48Å; L239-V241 PolarHBondContact O-N 3.02Å; L239-V241 VanDerWaalsContact O-N 3.12Å; V241-P243 WeakPolarHBondContact O-CD 3.41Å; V241-R245 VanDerWaalsContact C-NH1 3.26Å |
| 242 | S | 98.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.324 | C | S | . | . | trans | -88.4 | 122.7 | 177.3 | -68.6 | 0 | 0 | 0 | 0 | 111.2 | Y216 L218 A238 L239 I244 R245 | Y216-S242 CarbonylContact O-C 3.59Å; Y216-S242 WeakPolarHBondContact O-CA 3.39Å; Y216-S242 WeakPolarHBondContact O-CB 3.31Å; L218-S242 PolarHBondContact N-OG 2.92Å; A238-S242 PolarHBondContact O-N 2.73Å; A238-S242 PolarHBondContact O-OG 3.12Å; L239-S242 WeakPolarHBondContact O-CB 3.13Å; L239-S242 PolarHBondContact O-N 2.99Å; S242-I244 PolarHBondContact O-N 3.41Å; S242-I244 VanDerWaalsContact O-N 3.09Å; S242-R245 WeakPolarHBondContact O-CB 3.23Å; S242-R245 WeakPolarHBondContact O-CG 3.5Å; S242-R245 PolarHBondContact O-N 3.34Å; S242-R245 PolarHBondContact O-NH1 3.05Å | ||
| 243 | P | 97.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -53 | -29.3 | 175.5 | -31.2 | 32.6 | 0 | 0 | 0 | 114.9 | H183 L186 E187 Y216 V241 R245 H246 | H183-P243 WeakPolarHBondContact CD2-CD 3.3Å; L186-P243 HydrophobicContact CB-CB 3.97Å; L186-P243 HydrophobicContact CB-CG 3.98Å; L186-P243 HydrophobicContact CD1-CB 3.67Å; L186-P243 HydrophobicContact CD1-CG 4.17Å; L186-P243 HydrophobicContact CG-CB 4.46Å; E187-P243 HydrophobicContact CG-CG 4.2Å; E187-P243 WeakPolarHBondContact OE1-CA 3.49Å; Y216-P243 HydrophobicContact CD1-CB 4.44Å; Y216-P243 HydrophobicContact CD1-CG 4.4Å; Y216-P243 WeakPolarHBondContact O-CD 3.4Å; Y216-P243 VanDerWaalsContact O-N 3.09Å; V241-P243 WeakPolarHBondContact O-CD 3.41Å; P243-R245 PolarHBondContact O-N 3.34Å; P243-R245 VanDerWaalsContact O-N 3.13Å; P243-H246 PolarHBondContact O-CD2 3.38Å; P243-H246 PolarHBondContact O-N 3.43Å |
| 244 | I | 96.8 | Very high | 90.9 | Very high | 16 Ų | 16 | 56.9 Ų | 56.9 | 8% | 0.082 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -59.8 | -25.3 | 177.2 | 65.9 | 152.9 | 0 | 0 | 0 | 113 | Y216 D217 L239 S242 H246 F247 M248 L284 | Y216-I244 WeakPolarHBondContact O-CG2 3.37Å; Y216-I244 PolarHBondContact O-N 2.89Å; D217-I244 HydrophobicContact CB-CD1 3.77Å; D217-I244 HydrophobicContact CB-CG1 4.06Å; D217-I244 HydrophobicContact CB-CG2 4.24Å; L239-I244 HydrophobicContact CD1-CD1 4.39Å; L239-I244 HydrophobicContact CD1-CG1 4.38Å; S242-I244 PolarHBondContact O-N 3.41Å; S242-I244 VanDerWaalsContact O-N 3.09Å; I244-H246 PolarHBondContact O-N 3.1Å; I244-F247 PolarHBondContact O-N 2.89Å; I244-M248 HydrophobicContact CD1-SD 4.06Å; I244-M248 HydrophobicContact CG1-SD 4.43Å; I244-M248 PolarHBondContact O-N 3.15Å; I244-L284 HydrophobicContact CB-CD1 4.18Å; I244-L284 HydrophobicContact CG2-CD1 4.03Å |
| 245 | R | 95.7 | Very high | 90.6 | Very high | 25 Ų | 25 | 54.4 Ų | 54.4 | 9% | 0.094 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -61.2 | -30.8 | -177.5 | 83.9 | -171.8 | 176.4 | -84.3 | 8.8 | 111.9 | E187 L239 S240 V241 S242 P243 F247 M248 Q249 | E187-R245 IonicContact OE1-CZ 3.76Å; E187-R245 IonicContact OE1-NH1 2.74Å; E187-R245 PolarHBondContact OE1-NH1 2.96Å; E187-R245 IonicContact OE1-NH2 3.14Å; E187-R245 IonicContact OE2-CZ 2.67Å; E187-R245 VanDerWaalsContact OE2-CZ 3.31Å; E187-R245 IonicContact OE2-NH1 2.92Å; E187-R245 PolarHBondContact OE2-NH1 3.37Å; E187-R245 IonicContact OE2-NH2 3.93Å; E187-R245 PolarHBondContact OE2-NH2 3.34Å; L239-R245 HydrophobicContact CD1-CB 4.13Å; L239-R245 VanDerWaalsContact O-CD 3.23Å; L239-R245 WeakPolarHBondContact O-CD 3.42Å; S240-R245 WeakPolarHBondContact O-CD 3.23Å; S240-R245 PolarHBondContact O-NE 3.19Å; S240-R245 PolarHBondContact O-NH1 2.8Å; S240-R245 PolarHBondContact O-NH2 3.18Å; V241-R245 VanDerWaalsContact C-NH1 3.26Å; S242-R245 WeakPolarHBondContact O-CB 3.23Å; S242-R245 WeakPolarHBondContact O-CG 3.5Å; S242-R245 PolarHBondContact O-N 3.34Å; S242-R245 PolarHBondContact O-NH1 3.05Å; P243-R245 PolarHBondContact O-N 3.34Å; P243-R245 VanDerWaalsContact O-N 3.13Å; R245-F247 PolarHBondContact O-N 2.95Å; R245-M248 PolarHBondContact O-N 3.38Å; R245-Q249 WeakPolarHBondContact O-CG 3.47Å; R245-Q249 PolarHBondContact O-N 3.42Å |
| 246 | H | 93.6 | Very high | 90.1 | Very high | 8 Ų | 8 | 50.8 Ų | 50.8 | 4% | 0.037 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -65.8 | -20.7 | 179.4 | -55.6 | -55.1 | 0 | 0 | 0 | 112.3 | E187 Y190 P243 I244 N253 L255 | E187-H246 IonicContact OE1-CD2 3.94Å; E187-H246 IonicContact OE1-NE2 3.63Å; E187-H246 PolarHBondContact OE1-NE2 3.1Å; E187-H246 IonicContact OE2-NE2 3.57Å; Y190-H246 AromaticContact CD1-CE1 3.87Å; Y190-H246 AromaticContact CD2-CE1 3.22Å; Y190-H246 WeakPolarHBondContact CD2-CE1 3.36Å; Y190-H246 AromaticContact CD2-ND1 3.5Å; Y190-H246 WeakPolarHBondContact CD2-ND1 3.43Å; Y190-H246 AromaticContact CE2-CE1 3.65Å; Y190-H246 AromaticContact CE2-ND1 3.77Å; Y190-H246 AromaticContact CG-CE1 3.35Å; Y190-H246 AromaticContact CG-NE2 3.9Å; P243-H246 PolarHBondContact O-CD2 3.38Å; P243-H246 PolarHBondContact O-N 3.43Å; I244-H246 PolarHBondContact O-N 3.1Å; H246-N253 PolarHBondContact O-ND2 3.02Å; H246-L255 HydrophobicContact CB-CD1 3.99Å; H246-L255 HydrophobicContact CB-CG 4.37Å |
| 247 | F | 92.6 | Very high | 89.4 | Confident | 32 Ų | 32 | 47.2 Ų | 47.2 | 14% | 0.14 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -96.9 | -8.2 | 176.5 | -58.3 | -97.3 | 0 | 0 | 0 | 113.2 | I244 R245 N253 L255 L256 L281 L284 L285 | I244-F247 PolarHBondContact O-N 2.89Å; R245-F247 PolarHBondContact O-N 2.95Å; F247-N253 WeakPolarHBondContact CD1-ND2 3.4Å; F247-L255 HydrophobicContact CE2-CD1 4.14Å; F247-L256 HydrophobicContact CD1-CD1 4.39Å; F247-L256 HydrophobicContact CE1-CD1 3.95Å; F247-L256 HydrophobicContact CE1-CD2 4.15Å; F247-L256 HydrophobicContact CE1-CG 4.26Å; F247-L256 HydrophobicContact CZ-CD2 4.46Å; F247-L281 HydrophobicContact CE2-CD1 3.97Å; F247-L281 HydrophobicContact CZ-CD1 4.04Å; F247-L284 HydrophobicContact CB-CB 4.37Å; F247-L284 HydrophobicContact CB-CD1 4.04Å; F247-L284 HydrophobicContact CB-CD2 3.89Å; F247-L284 HydrophobicContact CB-CG 4.32Å; F247-L284 HydrophobicContact CD1-CB 3.85Å; F247-L284 HydrophobicContact CD2-CD1 4.08Å; F247-L284 HydrophobicContact CE1-CB 4.25Å; F247-L284 HydrophobicContact CG-CB 4.03Å; F247-L284 HydrophobicContact CG-CD1 4.04Å; F247-L284 HydrophobicContact CG-CD2 4.47Å; F247-L284 HydrophobicContact CG-CG 4.4Å; F247-L285 HydrophobicContact CE1-CD2 4.13Å; F247-L285 HydrophobicContact CZ-CD2 4.2Å |
| 248 | M | 89.1 | Confident | 88.8 | Confident | 111 Ų | 111 | 46 Ų | 46 | 55% | 0.547 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -19.1 | 178.7 | -64.3 | 173.1 | 61.4 | 0 | 0 | 112.6 | L239 I244 R245 | L239-M248 HydrophobicContact CD1-SD 4.08Å; L239-M248 HydrophobicContact CD2-CE 4.5Å; I244-M248 HydrophobicContact CD1-SD 4.06Å; I244-M248 HydrophobicContact CG1-SD 4.43Å; I244-M248 PolarHBondContact O-N 3.15Å; R245-M248 PolarHBondContact O-N 3.38Å |
| 249 | Q | 80.3 | Confident | 88.4 | Confident | 116 Ų | 116 | 49.1 Ų | 49.1 | 54% | 0.542 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -82.7 | 143.8 | -178.4 | -66.4 | 170.7 | 20.6 | 0 | 0 | 111 | R245 | R245-Q249 WeakPolarHBondContact O-CG 3.47Å; R245-Q249 PolarHBondContact O-N 3.42Å |
| 250 | D | 69.7 | Low | 88.2 | Confident | 173 Ų | 173 | 47.1 Ų | 47.1 | 93% | 0.925 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -73.9 | 143.2 | 168.5 | -67.3 | -42.2 | 0 | 0 | 0 | 110.3 | ||
| 251 | G | 72.6 | Confident | 88.1 | Confident | 73 Ų | 73 | 46 Ų | 46 | 75% | 0.753 | 26% | 0.258 | S | S | * | . | S | Bend | trans | 107.6 | -155.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | N253 | G251-N253 PolarHBondContact O-N 2.9Š|
| 252 | L | 76.5 | Confident | 88.2 | Confident | 130 Ų | 130 | 45.9 Ų | 45.9 | 68% | 0.681 | 26% | 0.257 | S | S | * | . | trans | -74.1 | 115.9 | -176.8 | -179.8 | 66.2 | 0 | 0 | 0 | 110.4 | L254 | L252-L254 HydrophobicContact CD2-CD2 4.15Å; L252-L254 HydrophobicContact CG-CD2 4.49Å; L252-L254 PolarHBondContact O-N 3.09Å | ||
| 253 | N | 84.9 | Confident | 88.2 | Confident | 23 Ų | 23 | 45.9 Ų | 45.9 | 12% | 0.123 | 26% | 0.257 | C | S | . | . | trans | -77.9 | 108.7 | 168.2 | -176.9 | -27.9 | 0 | 0 | 0 | 109.4 | H246 F247 G251 L255 L256 S257 | H246-N253 PolarHBondContact O-ND2 3.02Å; F247-N253 WeakPolarHBondContact CD1-ND2 3.4Å; G251-N253 PolarHBondContact O-N 2.9Å; N253-L255 PolarHBondContact O-N 3.36Å; N253-L255 VanDerWaalsContact OD1-CB 3.29Å; N253-L255 WeakPolarHBondContact OD1-CB 3.29Å; N253-L255 PolarHBondContact OD1-N 2.74Å; N253-L256 HydrophobicContact CB-CB 4.27Å; N253-L256 HydrophobicContact CB-CD1 4.14Å; N253-L256 HydrophobicContact CB-CG 4.15Å; N253-L256 CarbonylContact O-C 3.18Å; N253-L256 PolarHBondContact O-N 3.43Å; N253-S257 PolarHBondContact O-N 2.83Å; N253-S257 VanDerWaalsContact O-N 3.15Å | ||
| 254 | L | 86.5 | Confident | 88.2 | Confident | 44 Ų | 44 | 45.9 Ų | 45.9 | 23% | 0.23 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -59.8 | -32.1 | -178.2 | -64.6 | 177.8 | 0 | 0 | 0 | 113 | Y190 H193 M194 L252 L256 S257 | Y190-L254 HydrophobicContact CD2-CD1 4.07Å; Y190-L254 HydrophobicContact CE2-CD1 3.97Å; H193-L254 HydrophobicContact CB-CB 4.09Å; H193-L254 HydrophobicContact CB-CD1 3.9Å; H193-L254 HydrophobicContact CB-CD2 4.27Å; H193-L254 HydrophobicContact CB-CG 4.31Å; M194-L254 HydrophobicContact SD-CD1 3.88Å; L252-L254 HydrophobicContact CD2-CD2 4.15Å; L252-L254 HydrophobicContact CG-CD2 4.49Å; L252-L254 PolarHBondContact O-N 3.09Å; L254-L256 PolarHBondContact O-N 2.95Å; L254-S257 WeakPolarHBondContact O-CB 3.49Å; L254-S257 PolarHBondContact O-N 2.86Å; L254-S257 PolarHBondContact O-OG 2.8Å |
| 255 | L | 88.4 | Confident | 88.3 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -65.1 | -29.3 | 175.8 | -59.9 | -178 | 0 | 0 | 0 | 112.3 | L186 I189 H246 F247 N253 W262 | L186-L255 HydrophobicContact CB-CD1 4.38Å; L186-L255 VanDerWaalsContact O-CD2 3.3Å; L186-L255 WeakPolarHBondContact O-CD2 3.47Å; I189-L255 HydrophobicContact CB-CD2 3.98Å; I189-L255 HydrophobicContact CG2-CD2 3.86Å; H246-L255 HydrophobicContact CB-CD1 3.99Å; H246-L255 HydrophobicContact CB-CG 4.37Å; F247-L255 HydrophobicContact CE2-CD1 4.14Å; N253-L255 PolarHBondContact O-N 3.36Å; N253-L255 VanDerWaalsContact OD1-CB 3.29Å; N253-L255 WeakPolarHBondContact OD1-CB 3.29Å; N253-L255 PolarHBondContact OD1-N 2.74Å; L255-W262 HydrophobicContact CB-CH2 4.1Å; L255-W262 HydrophobicContact CB-CZ2 4.29Å; L255-W262 WeakPolarHBondContact O-CZ2 3.49Å |
| 256 | L | 86.8 | Confident | 88.4 | Confident | 7 Ų | 7 | 45 Ų | 45 | 4% | 0.037 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -98.5 | 1.1 | -179.2 | -53.3 | -177.8 | 0 | 0 | 0 | 112.9 | F247 N253 L254 K258 W262 L285 A288 L298 F300 | F247-L256 HydrophobicContact CD1-CD1 4.39Å; F247-L256 HydrophobicContact CE1-CD1 3.95Å; F247-L256 HydrophobicContact CE1-CD2 4.15Å; F247-L256 HydrophobicContact CE1-CG 4.26Å; F247-L256 HydrophobicContact CZ-CD2 4.46Å; N253-L256 HydrophobicContact CB-CB 4.27Å; N253-L256 HydrophobicContact CB-CD1 4.14Å; N253-L256 HydrophobicContact CB-CG 4.15Å; N253-L256 CarbonylContact O-C 3.18Å; N253-L256 PolarHBondContact O-N 3.43Å; L254-L256 PolarHBondContact O-N 2.95Å; L256-K258 PolarHBondContact O-N 2.93Å; L256-W262 HydrophobicContact CD2-CZ2 4.17Å; L256-L285 HydrophobicContact CD2-CD2 3.9Å; L256-A288 HydrophobicContact CD1-CB 3.53Å; L256-L298 HydrophobicContact CB-CD2 4.2Å; L256-L298 HydrophobicContact CD1-CD1 4.17Å; L256-F300 HydrophobicContact CB-CD1 4.25Å; L256-F300 HydrophobicContact CB-CE1 4.44Å; L256-F300 HydrophobicContact CD1-CE1 4.02Å; L256-F300 HydrophobicContact CD1-CZ 4.5Å; L256-F300 HydrophobicContact CD2-CD1 3.89Å; L256-F300 HydrophobicContact CD2-CD2 4.47Å; L256-F300 HydrophobicContact CD2-CE1 3.87Å; L256-F300 HydrophobicContact CD2-CE2 4.43Å; L256-F300 HydrophobicContact CD2-CG 4.23Å; L256-F300 HydrophobicContact CD2-CZ 4.15Å; L256-F300 HydrophobicContact CG-CD1 4.47Å; L256-F300 HydrophobicContact CG-CE1 4.33Å |
| 257 | S | 83.7 | Confident | 88.6 | Confident | 52 Ų | 52 | 44.6 Ų | 44.6 | 36% | 0.364 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -69.5 | -16.3 | -178.2 | 71.2 | 0 | 0 | 0 | 0 | 113.3 | H193 N253 L254 | H193-S257 PolarHBondContact CD2-OG 3.03Å; H193-S257 PolarHBondContact NE2-OG 2.85Å; H193-S257 VanDerWaalsContact NE2-OG 3.12Å; N253-S257 PolarHBondContact O-N 2.83Å; N253-S257 VanDerWaalsContact O-N 3.15Å; L254-S257 WeakPolarHBondContact O-CB 3.49Å; L254-S257 PolarHBondContact O-N 2.86Å; L254-S257 PolarHBondContact O-OG 2.8Å |
| 258 | K | 83.7 | Confident | 88.7 | Confident | 51 Ų | 51 | 45.9 Ų | 45.9 | 22% | 0.222 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -110.7 | 147.1 | 177.7 | -66.2 | -165.8 | 72.8 | 85.4 | 0 | 111.8 | L203 L256 L260 | L203-K258 WeakPolarHBondContact O-CE 3.43Å; L203-K258 PolarHBondContact O-NZ 2.92Å; L256-K258 PolarHBondContact O-N 2.93Å; K258-L260 HydrophobicContact CB-CD1 4.4Å; K258-L260 HydrophobicContact CB-CD2 4.03Å; K258-L260 HydrophobicContact CB-CG 3.85Å; K258-L260 PolarHBondContact O-N 2.98Å |
| 259 | S | 88.4 | Confident | 89 | Confident | 65 Ų | 65 | 45.2 Ų | 45.2 | 46% | 0.455 | 25% | 0.25 | S | C | . | . | trans | -70 | 75.9 | 170.1 | -177.4 | 0 | 0 | 0 | 0 | 110.9 | Q299 | S259-Q299 PolarHBondContact OG-O 2.97Š| ||
| 260 | L | 93.6 | Very high | 89.7 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | trans | -99.9 | 147.9 | 178.1 | -57.1 | -177.1 | 0 | 0 | 0 | 111.2 | L206 R207 L209 K258 W262 F300 T301 | L206-L260 HydrophobicContact CB-CD2 4.32Å; L206-L260 HydrophobicContact CD2-CD1 3.9Å; L206-L260 HydrophobicContact CD2-CD2 4.11Å; L206-L260 HydrophobicContact CG-CD1 4.34Å; L206-L260 HydrophobicContact CG-CD2 3.73Å; L206-L260 WeakPolarHBondContact O-CD2 3.33Å; R207-L260 CarbonylContact O-C 3.5Å; R207-L260 VanDerWaalsContact O-CA 3.3Å; R207-L260 WeakPolarHBondContact O-CA 3.06Å; L209-L260 HydrophobicContact CD1-CD1 3.88Å; L209-L260 HydrophobicContact CD2-CD1 4.44Å; L209-L260 HydrophobicContact CG-CD1 4.1Å; K258-L260 HydrophobicContact CB-CD1 4.4Å; K258-L260 HydrophobicContact CB-CD2 4.03Å; K258-L260 HydrophobicContact CB-CG 3.85Å; K258-L260 PolarHBondContact O-N 2.98Å; L260-W262 HydrophobicContact CD1-CZ2 4.48Å; L260-F300 CarbonylContact O-C 3.47Å; L260-F300 WeakPolarHBondContact O-CA 3.3Å; L260-F300 VanDerWaalsContact O-CB 3.26Å; L260-F300 WeakPolarHBondContact O-CB 3.41Å; L260-T301 PolarHBondContact O-N 3.41Å | ||
| 261 | H | 95.5 | Very high | 90.9 | Very high | 34 Ų | 34 | 31.8 Ų | 31.8 | 16% | 0.157 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 125.6 | 164.6 | -175.7 | 72.6 | 0 | 0 | 0 | 110.1 | R207 N208 L209 T301 E303 | R207-H261 PolarHBondContact O-N 2.85Å; N208-H261 CarbonylContact C-O 3.57Å; N208-H261 WeakPolarHBondContact CA-O 3.3Å; L209-H261 PolarHBondContact N-O 2.8Å; H261-T301 CarbonylContact C-O 3.56Å; H261-T301 WeakPolarHBondContact CA-O 3.24Å; H261-T301 PolarHBondContact ND1-OG1 3.22Å; H261-E303 IonicContact CE1-OE1 2.95Å; H261-E303 IonicContact NE2-OE1 2.89Å; H261-E303 PolarHBondContact NE2-OE1 2.85Å; H261-E303 VanDerWaalsContact NE2-OE1 3.16Å |
| 262 | W | 97.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 124.8 | -175.6 | -63.2 | 66.5 | 0 | 0 | 0 | 110.8 | L186 L209 L211 L255 L256 L260 L285 F300 T301 Y302 E303 | L186-W262 HydrophobicContact CD1-CZ3 4.25Å; L186-W262 HydrophobicContact CD2-CE3 4.44Å; L186-W262 HydrophobicContact CD2-CH2 3.54Å; L186-W262 HydrophobicContact CD2-CZ3 3.35Å; L186-W262 HydrophobicContact CG-CZ3 4.45Å; L209-W262 HydrophobicContact CB-CD2 4.49Å; L209-W262 HydrophobicContact CD1-CD2 3.75Å; L209-W262 HydrophobicContact CD1-CE3 3.77Å; L209-W262 HydrophobicContact CD1-CH2 3.54Å; L209-W262 HydrophobicContact CD1-CZ2 3.51Å; L209-W262 HydrophobicContact CD1-CZ3 3.69Å; L211-W262 HydrophobicContact CD1-CE3 3.71Å; L211-W262 HydrophobicContact CD1-CZ3 3.8Å; L255-W262 HydrophobicContact CB-CH2 4.1Å; L255-W262 HydrophobicContact CB-CZ2 4.29Å; L255-W262 WeakPolarHBondContact O-CZ2 3.49Å; L256-W262 HydrophobicContact CD2-CZ2 4.17Å; L260-W262 HydrophobicContact CD1-CZ2 4.48Å; W262-L285 HydrophobicContact CB-CD1 4.2Å; W262-L285 HydrophobicContact CD2-CD1 4.27Å; W262-L285 HydrophobicContact CD2-CD2 4.09Å; W262-L285 HydrophobicContact CE3-CD1 4.03Å; W262-L285 HydrophobicContact CE3-CD2 4.18Å; W262-L285 HydrophobicContact CG-CD1 4.37Å; W262-L285 HydrophobicContact CG-CD2 4.49Å; W262-L285 HydrophobicContact CZ3-CD2 4.49Å; W262-F300 AromaticContact CD1-CD2 3.9Å; W262-T301 PolarHBondContact N-O 2.87Å; W262-Y302 CarbonylContact O-C 3.16Å; W262-Y302 VanDerWaalsContact O-CA 3.24Å; W262-Y302 WeakPolarHBondContact O-CA 3.29Å; W262-E303 PolarHBondContact O-N 2.89Å |
| 263 | I | 98.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 111.2 | 166.5 | -59.3 | -177.9 | 0 | 0 | 0 | 107.8 | L209 V210 L211 A265 E303 F305 I328 K331 L335 | L209-I263 PolarHBondContact O-N 2.92Å; V210-I263 HydrophobicContact CG1-CB 4.39Å; V210-I263 HydrophobicContact CG1-CG2 4.44Å; V210-I263 HydrophobicContact CG2-CB 4.38Å; V210-I263 HydrophobicContact CG2-CD1 4.34Å; L211-I263 PolarHBondContact N-O 2.85Å; I263-A265 HydrophobicContact CG2-CB 4.38Å; I263-E303 WeakPolarHBondContact CA-O 3.47Å; I263-E303 HydrophobicContact CG1-CG 3.97Å; I263-F305 HydrophobicContact CG2-CB 3.83Å; I263-I328 HydrophobicContact CG2-CD1 4.42Å; I263-K331 HydrophobicContact CD1-CD 4.48Å; I263-K331 HydrophobicContact CD1-CG 3.79Å; I263-L335 HydrophobicContact CD1-CD2 3.84Å |
| 264 | V | 98.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 104.7 | 171.4 | -175.2 | 0 | 0 | 0 | 0 | 107.9 | W266 L281 L285 E303 T304 F305 | V264-W266 HydrophobicContact CG1-CE3 4.45Å; V264-W266 HydrophobicContact CG1-CZ3 4.43Å; V264-L281 HydrophobicContact CG1-CD2 4.47Å; V264-L281 HydrophobicContact CG2-CD2 4.06Å; V264-L281 HydrophobicContact CG2-CG 4.33Å; V264-L285 HydrophobicContact CG2-CD1 3.8Å; V264-E303 PolarHBondContact N-O 3.08Å; V264-T304 CarbonylContact O-C 3.53Å; V264-T304 VanDerWaalsContact O-CA 3.29Å; V264-T304 WeakPolarHBondContact O-CA 3.3Å; V264-F305 PolarHBondContact O-N 3.33Å |
| 265 | A | 98.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 146.8 | -175 | 0 | 0 | 0 | 0 | 0 | 111.9 | L211 M212 S213 I263 F305 I328 | L211-A265 PolarHBondContact O-N 2.86Å; M212-A265 HydrophobicContact CB-CB 4.46Å; M212-A265 HydrophobicContact CG-CB 4.36Å; S213-A265 PolarHBondContact N-O 2.95Å; I263-A265 HydrophobicContact CG2-CB 4.38Å; A265-F305 WeakPolarHBondContact CA-O 3.32Å; A265-F305 HydrophobicContact CB-CB 4Å; A265-I328 HydrophobicContact CB-CD1 3.94Å |
| 266 | W | 98 | Very high | 94.7 | Very high | 23 Ų | 23 | 27.2 Ų | 27.2 | 9% | 0.087 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 156 | 170.7 | 64.7 | 88.6 | 0 | 0 | 0 | 110.3 | V264 E270 K279 T304 F305 Y306 M307 | V264-W266 HydrophobicContact CG1-CE3 4.45Å; V264-W266 HydrophobicContact CG1-CZ3 4.43Å; W266-E270 WeakPolarHBondContact CB-OE2 3.3Å; W266-K279 HydrophobicContact CH2-CG 4.43Å; W266-K279 HydrophobicContact CZ2-CG 4.33Å; W266-T304 HydrophobicContact CH2-CG2 3.83Å; W266-T304 HydrophobicContact CZ3-CG2 3.77Å; W266-F305 PolarHBondContact N-O 3.02Å; W266-F305 VanDerWaalsContact N-O 3.1Å; W266-Y306 AromaticContact CD1-CD2 3.96Å; W266-Y306 AromaticContact NE1-CD2 3.39Å; W266-Y306 AromaticContact NE1-CE2 3.84Å; W266-M307 PolarHBondContact O-N 3.36Å |
| 267 | A | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 153.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y269 E270 K275 M307 E310 | A267-Y269 VanDerWaalsContact C-N 3.29Å; A267-Y269 PolarHBondContact O-N 2.78Å; A267-E270 HydrophobicContact CB-CG 3.77Å; A267-E270 PolarHBondContact N-OE2 3.43Å; A267-K275 WeakPolarHBondContact O-CE 3.44Å; A267-M307 HydrophobicContact CB-CE 3.9Å; A267-E310 HydrophobicContact CB-CB 4.18Å; A267-E310 WeakPolarHBondContact CB-O 3.37Å |
| 268 | E | 95.7 | Very high | 96 | Very high | 59 Ų | 59 | 24.8 Ų | 24.8 | 28% | 0.276 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59 | -42.9 | 174.1 | 170.7 | 158.4 | -153.4 | 0 | 0 | 111.7 | E270 K275 Y306 M307 S308 N309 E310 | E268-E270 PolarHBondContact O-N 3.03Å; E268-K275 WeakPolarHBondContact O-CE 3.48Å; E268-K275 PolarHBondContact O-NZ 3.31Å; E268-Y306 WeakPolarHBondContact CA-OH 3.37Å; E268-Y306 HydrophobicContact CB-CE1 3.98Å; E268-Y306 HydrophobicContact CB-CE2 4.43Å; E268-Y306 VanDerWaalsContact CB-OH 3.24Å; E268-Y306 WeakPolarHBondContact CB-OH 3.44Å; E268-Y306 HydrophobicContact CG-CE1 4.49Å; E268-Y306 WeakPolarHBondContact CG-OH 3.47Å; E268-M307 PolarHBondContact N-O 3Å; E268-S308 WeakPolarHBondContact OE2-CA 3.44Å; E268-N309 PolarHBondContact OE2-N 2.97Å; E268-E310 PolarHBondContact N-O 2.9Å |
| 269 | Y | 94.7 | Very high | 96.7 | Very high | 97 Ų | 97 | 27.4 Ų | 27.4 | 38% | 0.38 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 71.4 | -177.5 | -64.1 | -82.1 | 0 | 0 | 0 | 110.2 | I26 A267 E310 D311 | I26-Y269 HydrophobicContact CD1-CD2 3.47Å; I26-Y269 VanDerWaalsContact CD1-CD2 3.47Å; I26-Y269 HydrophobicContact CD1-CE2 3.95Å; I26-Y269 HydrophobicContact CD1-CG 4.12Å; I26-Y269 HydrophobicContact CG1-CD1 4.2Å; I26-Y269 HydrophobicContact CG1-CD2 3.35Å; I26-Y269 HydrophobicContact CG1-CE2 3.89Å; I26-Y269 HydrophobicContact CG1-CG 3.51Å; A267-Y269 VanDerWaalsContact C-N 3.29Å; A267-Y269 PolarHBondContact O-N 2.78Å; Y269-E310 PolarHBondContact N-O 3.35Å; Y269-D311 WeakPolarHBondContact O-CA 3.11Å; Y269-D311 VanDerWaalsContact O-CB 3.3Å; Y269-D311 WeakPolarHBondContact O-CB 3.07Å |
| 270 | E | 94.6 | Very high | 97.1 | Very high | 5 Ų | 5 | 27.1 Ų | 27.1 | 2% | 0.023 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -132.5 | 157.6 | 170.6 | -65.2 | -169.2 | 114.9 | 0 | 0 | 110.3 | S213 W266 A267 E268 M274 K275 H312 | S213-E270 WeakPolarHBondContact CB-OE1 3.4Å; S213-E270 PolarHBondContact OG-OE1 2.94Å; S213-E270 PolarHBondContact OG-OE2 3.13Å; S213-E270 VanDerWaalsContact OG-OE2 3.09Å; W266-E270 WeakPolarHBondContact CB-OE2 3.3Å; A267-E270 HydrophobicContact CB-CG 3.77Å; A267-E270 PolarHBondContact N-OE2 3.43Å; E268-E270 PolarHBondContact O-N 3.03Å; E270-M274 HydrophobicContact CB-CB 4.21Å; E270-K275 HydrophobicContact CB-CG 4.11Å; E270-K275 WeakPolarHBondContact O-CE 3.44Å; E270-K275 PolarHBondContact O-NZ 3.23Å; E270-H312 HydrophobicContact CG-CB 4.42Å; E270-H312 IonicContact OE1-CE1 3.07Å; E270-H312 IonicContact OE1-CG 2.71Å; E270-H312 IonicContact OE1-ND1 2.87Å; E270-H312 PolarHBondContact OE1-ND1 3.41Å |
| 271 | S | 95.5 | Very high | 97.4 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.014 | 14% | 0.144 | C | C | . | . | trans | -61.1 | 151.1 | 177.4 | 74.9 | 0 | 0 | 0 | 0 | 112.1 | Q18 A273 M274 K275 | Q18-S271 WeakPolarHBondContact O-CB 3.49Å; Q18-S271 PolarHBondContact O-OG 3.15Å; S271-A273 PolarHBondContact O-N 3.11Å; S271-A273 PolarHBondContact OG-N 3.2Å; S271-M274 PolarHBondContact O-N 3.4Å; S271-M274 VanDerWaalsContact O-N 3.15Å; S271-M274 WeakPolarHBondContact OG-CG 3.25Å; S271-M274 PolarHBondContact OG-N 3.26Å; S271-M274 VanDerWaalsContact OG-N 3.08Å; S271-K275 PolarHBondContact O-N 3.28Å | ||
| 272 | P | 97.4 | Very high | 97.5 | Very high | 79 Ų | 79 | 25.8 Ų | 25.8 | 51% | 0.513 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -46.3 | -41.1 | 166.7 | -30.9 | 32.5 | 0 | 0 | 0 | 113.9 | W24 G276 | W24-P272 VanDerWaalsContact CH2-CD 3.41Å; W24-P272 HydrophobicContact CH2-CG 4.26Å; P272-G276 PolarHBondContact O-N 3.31Å |
| 273 | A | 97.7 | Very high | 97.4 | Very high | 20 Ų | 20 | 30.3 Ų | 30.3 | 17% | 0.165 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.9 | -45.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q18 Y19 S271 G276 Q277 | Q18-A273 HydrophobicContact CB-CB 3.64Å; Q18-A273 HydrophobicContact CG-CB 4.41Å; Y19-A273 HydrophobicContact CD2-CB 4.43Å; Y19-A273 HydrophobicContact CE1-CB 4.38Å; Y19-A273 HydrophobicContact CE2-CB 3.95Å; S271-A273 PolarHBondContact O-N 3.11Å; S271-A273 PolarHBondContact OG-N 3.2Å; A273-G276 WeakPolarHBondContact O-CA 3.29Å; A273-G276 PolarHBondContact O-N 3.39Å; A273-Q277 WeakPolarHBondContact O-CG 3.24Å; A273-Q277 PolarHBondContact O-N 3.28Å |
| 274 | M | 97.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66 | -43.2 | 178.7 | -70.9 | -60.6 | -60 | 0 | 0 | 111.9 | Y19 T21 Y105 S213 V215 E270 S271 G276 Q277 S278 | Y19-M274 HydrophobicContact CD1-SD 3.95Å; Y19-M274 HydrophobicContact CE1-SD 4.08Å; T21-M274 HydrophobicContact CG2-CG 4.36Å; Y105-M274 PolarHBondContact OH-SD 3.26Å; S213-M274 WeakPolarHBondContact O-CE 3.46Å; V215-M274 HydrophobicContact CG2-CE 3.88Å; V215-M274 HydrophobicContact CG2-SD 3.93Å; E270-M274 HydrophobicContact CB-CB 4.21Å; S271-M274 PolarHBondContact O-N 3.4Å; S271-M274 VanDerWaalsContact O-N 3.15Å; S271-M274 WeakPolarHBondContact OG-CG 3.25Å; S271-M274 PolarHBondContact OG-N 3.26Å; S271-M274 VanDerWaalsContact OG-N 3.08Å; M274-G276 VanDerWaalsContact C-N 3.25Å; M274-G276 PolarHBondContact O-N 3.29Å; M274-Q277 WeakPolarHBondContact O-CB 3.36Å; M274-Q277 PolarHBondContact O-N 3.14Å; M274-S278 PolarHBondContact O-N 3.29Å |
| 275 | K | 98.1 | Very high | 97 | Very high | 47 Ų | 47 | 32.2 Ų | 32.2 | 20% | 0.204 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.5 | -37.7 | 172.1 | -68.4 | 174.6 | 179.4 | 164.2 | 0 | 111.5 | A267 E268 E270 S271 Q277 S278 K279 | A267-K275 WeakPolarHBondContact O-CE 3.44Å; E268-K275 WeakPolarHBondContact O-CE 3.48Å; E268-K275 PolarHBondContact O-NZ 3.31Å; E270-K275 HydrophobicContact CB-CG 4.11Å; E270-K275 WeakPolarHBondContact O-CE 3.44Å; E270-K275 PolarHBondContact O-NZ 3.23Å; S271-K275 PolarHBondContact O-N 3.28Å; K275-Q277 VanDerWaalsContact C-N 3.34Å; K275-S278 PolarHBondContact O-N 3.48Å; K275-K279 WeakPolarHBondContact O-CB 3.22Å; K275-K279 VanDerWaalsContact O-CG 3.28Å; K275-K279 WeakPolarHBondContact O-CG 3.45Å; K275-K279 PolarHBondContact O-N 3.42Å |
| 276 | G | 98.2 | Very high | 96.8 | Very high | 27 Ų | 27 | 33.9 Ų | 33.9 | 28% | 0.278 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -59.9 | -40.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | P272 A273 M274 S280 | P272-G276 PolarHBondContact O-N 3.31Å; A273-G276 WeakPolarHBondContact O-CA 3.29Å; A273-G276 PolarHBondContact O-N 3.39Å; M274-G276 VanDerWaalsContact C-N 3.25Å; M274-G276 PolarHBondContact O-N 3.29Å; G276-S280 VanDerWaalsContact O-CB 3.26Å; G276-S280 WeakPolarHBondContact O-CB 3.45Å; G276-S280 PolarHBondContact O-N 3.18Å; G276-S280 PolarHBondContact O-OG 3.3Å |
| 277 | Q | 98.5 | Very high | 96.5 | Very high | 9 Ų | 9 | 38.6 Ų | 38.6 | 4% | 0.042 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.5 | -54.1 | 173.9 | -67.5 | -75.4 | -13.6 | 0 | 0 | 111.1 | Y19 G214 V215 Y216 D217 A273 M274 K275 K279 S280 L281 | Y19-Q277 PolarHBondContact OH-NE2 3.29Å; G214-Q277 WeakPolarHBondContact O-CB 3.19Å; V215-Q277 HydrophobicContact CG1-CG 4.46Å; Y216-Q277 HydrophobicContact CD2-CB 4.11Å; Y216-Q277 WeakPolarHBondContact CD2-O 3.3Å; Y216-Q277 HydrophobicContact CE2-CB 4.49Å; D217-Q277 PolarHBondContact O-NE2 2.75Å; A273-Q277 WeakPolarHBondContact O-CG 3.24Å; A273-Q277 PolarHBondContact O-N 3.28Å; M274-Q277 WeakPolarHBondContact O-CB 3.36Å; M274-Q277 PolarHBondContact O-N 3.14Å; K275-Q277 VanDerWaalsContact C-N 3.34Å; Q277-K279 PolarHBondContact O-N 3.23Å; Q277-S280 PolarHBondContact O-N 3.31Å; Q277-L281 PolarHBondContact O-N 3.41Å; Q277-L281 VanDerWaalsContact O-N 3.09Å |
| 278 | S | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.4 | -43.6 | 179.6 | -64.2 | 0 | 0 | 0 | 0 | 113.1 | M274 K275 S280 L281 A282 | M274-S278 PolarHBondContact O-N 3.29Å; K275-S278 PolarHBondContact O-N 3.48Å; S278-S280 PolarHBondContact O-N 3.2Å; S278-L281 PolarHBondContact O-N 3.09Å; S278-A282 PolarHBondContact O-N 2.85Å |
| 279 | K | 98.2 | Very high | 95.6 | Very high | 106 Ų | 106 | 38.6 Ų | 38.6 | 46% | 0.461 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.7 | -41.2 | 177 | -72.4 | 176.4 | 179.2 | -174.6 | 0 | 112 | W266 K275 Q277 L281 A282 D283 | W266-K279 HydrophobicContact CH2-CG 4.43Å; W266-K279 HydrophobicContact CZ2-CG 4.33Å; K275-K279 WeakPolarHBondContact O-CB 3.22Å; K275-K279 VanDerWaalsContact O-CG 3.28Å; K275-K279 WeakPolarHBondContact O-CG 3.45Å; K275-K279 PolarHBondContact O-N 3.42Å; Q277-K279 PolarHBondContact O-N 3.23Å; K279-L281 VanDerWaalsContact C-N 3.35Å; K279-L281 PolarHBondContact O-N 3.38Å; K279-A282 PolarHBondContact O-N 3.23Å; K279-D283 WeakPolarHBondContact O-CB 3.39Å; K279-D283 VanDerWaalsContact O-CG 3.29Å; K279-D283 PolarHBondContact O-N 3.24Å |
| 280 | S | 98 | Very high | 95.1 | Very high | 59 Ų | 59 | 39.5 Ų | 39.5 | 41% | 0.413 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62 | -42.7 | 177.5 | -60.8 | 0 | 0 | 0 | 0 | 111.7 | G276 Q277 S278 D283 L284 | G276-S280 VanDerWaalsContact O-CB 3.26Å; G276-S280 WeakPolarHBondContact O-CB 3.45Å; G276-S280 PolarHBondContact O-N 3.18Å; G276-S280 PolarHBondContact O-OG 3.3Å; Q277-S280 PolarHBondContact O-N 3.31Å; S278-S280 PolarHBondContact O-N 3.2Å; S280-D283 PolarHBondContact O-N 3.4Å; S280-L284 VanDerWaalsContact O-CG 3.3Å; S280-L284 WeakPolarHBondContact O-CG 3.49Å; S280-L284 PolarHBondContact O-N 3.09Å |
| 281 | L | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.1 | -44.1 | 174.9 | -179.5 | 62.4 | 0 | 0 | 0 | 111.8 | L186 L211 Y216 F247 V264 Q277 S278 K279 D283 L284 L285 | L186-L281 HydrophobicContact CD1-CD2 4.23Å; L211-L281 HydrophobicContact CD1-CD2 3.75Å; Y216-L281 HydrophobicContact CD1-CD2 3.87Å; Y216-L281 HydrophobicContact CD2-CB 3.77Å; Y216-L281 HydrophobicContact CD2-CD2 3.95Å; Y216-L281 HydrophobicContact CD2-CG 4.44Å; Y216-L281 HydrophobicContact CE1-CD2 3.58Å; Y216-L281 HydrophobicContact CE2-CB 3.97Å; Y216-L281 HydrophobicContact CE2-CD2 3.69Å; Y216-L281 HydrophobicContact CE2-CG 4.49Å; Y216-L281 HydrophobicContact CG-CB 4.27Å; Y216-L281 HydrophobicContact CG-CD2 4.02Å; Y216-L281 VanDerWaalsContact CZ-CD2 3.47Å; F247-L281 HydrophobicContact CE2-CD1 3.97Å; F247-L281 HydrophobicContact CZ-CD1 4.04Å; V264-L281 HydrophobicContact CG1-CD2 4.47Å; V264-L281 HydrophobicContact CG2-CD2 4.06Å; V264-L281 HydrophobicContact CG2-CG 4.33Å; Q277-L281 PolarHBondContact O-N 3.41Å; Q277-L281 VanDerWaalsContact O-N 3.09Å; S278-L281 PolarHBondContact O-N 3.09Å; K279-L281 VanDerWaalsContact C-N 3.35Å; K279-L281 PolarHBondContact O-N 3.38Å; L281-D283 VanDerWaalsContact C-N 3.3Å; L281-D283 PolarHBondContact O-N 2.99Å; L281-L284 PolarHBondContact O-N 3.34Å; L281-L285 HydrophobicContact CG-CD1 4.3Å; L281-L285 WeakPolarHBondContact O-CG 3.49Å; L281-L285 PolarHBondContact O-N 3.35Å |
| 282 | A | 97.7 | Very high | 92.8 | Very high | 8 Ų | 8 | 48.9 Ų | 48.9 | 7% | 0.066 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.2 | -40.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S278 K279 L285 S286 T304 | S278-A282 PolarHBondContact O-N 2.85Å; K279-A282 PolarHBondContact O-N 3.23Å; A282-L285 PolarHBondContact O-N 2.98Å; A282-S286 WeakPolarHBondContact O-CB 3.39Å; A282-S286 PolarHBondContact O-N 2.94Å; A282-T304 HydrophobicContact CB-CG2 3.61Å |
| 283 | D | 97.1 | Very high | 90.9 | Very high | 94 Ų | 94 | 48.5 Ų | 48.5 | 50% | 0.503 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.6 | -38 | 175.9 | -72.7 | -13.7 | 0 | 0 | 0 | 112.1 | K279 S280 L281 S286 K287 | K279-D283 WeakPolarHBondContact O-CB 3.39Å; K279-D283 VanDerWaalsContact O-CG 3.29Å; K279-D283 PolarHBondContact O-N 3.24Å; S280-D283 PolarHBondContact O-N 3.4Å; L281-D283 VanDerWaalsContact C-N 3.3Å; L281-D283 PolarHBondContact O-N 2.99Å; D283-S286 WeakPolarHBondContact O-CB 3.43Å; D283-S286 PolarHBondContact O-N 3.04Å; D283-K287 WeakPolarHBondContact O-CB 3.26Å; D283-K287 VanDerWaalsContact O-CG 3.29Å; D283-K287 WeakPolarHBondContact O-CG 3.21Å; D283-K287 PolarHBondContact O-N 2.91Å |
| 284 | L | 95 | Very high | 88.8 | Confident | 41 Ų | 41 | 56.2 Ų | 56.2 | 22% | 0.215 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.4 | -43.8 | 175.1 | -70.3 | 169.9 | 0 | 0 | 0 | 111.5 | I244 F247 S280 L281 S286 K287 A288 | I244-L284 HydrophobicContact CB-CD1 4.18Å; I244-L284 HydrophobicContact CG2-CD1 4.03Å; F247-L284 HydrophobicContact CB-CB 4.37Å; F247-L284 HydrophobicContact CB-CD1 4.04Å; F247-L284 HydrophobicContact CB-CD2 3.89Å; F247-L284 HydrophobicContact CB-CG 4.32Å; F247-L284 HydrophobicContact CD1-CB 3.85Å; F247-L284 HydrophobicContact CD2-CD1 4.08Å; F247-L284 HydrophobicContact CE1-CB 4.25Å; F247-L284 HydrophobicContact CG-CB 4.03Å; F247-L284 HydrophobicContact CG-CD1 4.04Å; F247-L284 HydrophobicContact CG-CD2 4.47Å; F247-L284 HydrophobicContact CG-CG 4.4Å; S280-L284 VanDerWaalsContact O-CG 3.3Å; S280-L284 WeakPolarHBondContact O-CG 3.49Å; S280-L284 PolarHBondContact O-N 3.09Å; L281-L284 PolarHBondContact O-N 3.34Å; L284-S286 VanDerWaalsContact C-N 3.34Å; L284-K287 PolarHBondContact O-N 3.47Å; L284-A288 WeakPolarHBondContact O-CB 3.33Å; L284-A288 PolarHBondContact O-N 3.48Å |
| 285 | L | 94.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 174.3 | -68.8 | 171 | 0 | 0 | 0 | 111.3 | F247 L256 W262 V264 L281 A282 A288 S289 F300 Y302 | F247-L285 HydrophobicContact CE1-CD2 4.13Å; F247-L285 HydrophobicContact CZ-CD2 4.2Å; L256-L285 HydrophobicContact CD2-CD2 3.9Å; W262-L285 HydrophobicContact CB-CD1 4.2Å; W262-L285 HydrophobicContact CD2-CD1 4.27Å; W262-L285 HydrophobicContact CD2-CD2 4.09Å; W262-L285 HydrophobicContact CE3-CD1 4.03Å; W262-L285 HydrophobicContact CE3-CD2 4.18Å; W262-L285 HydrophobicContact CG-CD1 4.37Å; W262-L285 HydrophobicContact CG-CD2 4.49Å; W262-L285 HydrophobicContact CZ3-CD2 4.49Å; V264-L285 HydrophobicContact CG2-CD1 3.8Å; L281-L285 HydrophobicContact CG-CD1 4.3Å; L281-L285 WeakPolarHBondContact O-CG 3.49Å; L281-L285 PolarHBondContact O-N 3.35Å; A282-L285 PolarHBondContact O-N 2.98Å; L285-A288 PolarHBondContact O-N 2.72Å; L285-S289 WeakPolarHBondContact O-CB 3.21Å; L285-S289 PolarHBondContact O-N 3.33Å; L285-F300 HydrophobicContact CB-CE2 4.17Å; L285-F300 HydrophobicContact CD2-CD2 4.35Å; L285-F300 HydrophobicContact CD2-CE2 3.77Å; L285-F300 HydrophobicContact CD2-CZ 4.26Å; L285-F300 WeakPolarHBondContact O-CZ 3.46Å; L285-Y302 HydrophobicContact CB-CD1 4.06Å; L285-Y302 HydrophobicContact CB-CD2 4.03Å; L285-Y302 HydrophobicContact CB-CE1 4.41Å; L285-Y302 HydrophobicContact CB-CE2 4.38Å; L285-Y302 HydrophobicContact CB-CG 3.87Å; L285-Y302 HydrophobicContact CD1-CD2 4.31Å; L285-Y302 HydrophobicContact CD1-CG 4.26Å |
| 286 | S | 93.2 | Very high | 84.4 | Confident | 34 Ų | 34 | 62 Ų | 62 | 24% | 0.238 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -58.5 | -50.4 | 175.2 | -167.5 | 0 | 0 | 0 | 0 | 112.2 | A282 D283 L284 A288 S289 N290 Y302 | A282-S286 WeakPolarHBondContact O-CB 3.39Å; A282-S286 PolarHBondContact O-N 2.94Å; D283-S286 WeakPolarHBondContact O-CB 3.43Å; D283-S286 PolarHBondContact O-N 3.04Å; L284-S286 VanDerWaalsContact C-N 3.34Å; S286-A288 VanDerWaalsContact C-N 3.33Å; S286-A288 PolarHBondContact O-N 3.21Å; S286-S289 PolarHBondContact O-N 2.8Å; S286-N290 PolarHBondContact O-N 2.86Å; S286-N290 PolarHBondContact O-ND2 2.88Å; S286-Y302 VanDerWaalsContact CA-OH 3.3Å; S286-Y302 WeakPolarHBondContact CA-OH 3.31Å; S286-Y302 WeakPolarHBondContact CB-OH 2.92Å; S286-Y302 PolarHBondContact OG-OH 2.95Å; S286-Y302 VanDerWaalsContact OG-OH 3.1Å |
| 287 | K | 91.2 | Very high | 82.4 | Confident | 122 Ų | 122 | 65.1 Ų | 65.1 | 53% | 0.53 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.7 | -40.8 | 178.5 | -73.1 | 169 | -175.2 | 170.9 | 0 | 111.9 | D283 L284 R291 | D283-K287 WeakPolarHBondContact O-CB 3.26Å; D283-K287 VanDerWaalsContact O-CG 3.29Å; D283-K287 WeakPolarHBondContact O-CG 3.21Å; D283-K287 PolarHBondContact O-N 2.91Å; L284-K287 PolarHBondContact O-N 3.47Å; K287-R291 WeakPolarHBondContact O-CG 3.38Å; K287-R291 PolarHBondContact O-N 3.41Å; K287-R291 VanDerWaalsContact O-N 3.16Å |
| 288 | A | 88.9 | Confident | 80.7 | Confident | 14 Ų | 14 | 67.4 Ų | 67.4 | 12% | 0.116 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66 | -44.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | L256 L284 L285 S286 N290 R291 S292 L298 F300 | L256-A288 HydrophobicContact CD1-CB 3.53Å; L284-A288 WeakPolarHBondContact O-CB 3.33Å; L284-A288 PolarHBondContact O-N 3.48Å; L285-A288 PolarHBondContact O-N 2.72Å; S286-A288 VanDerWaalsContact C-N 3.33Å; S286-A288 PolarHBondContact O-N 3.21Å; A288-N290 VanDerWaalsContact C-N 3.34Å; A288-N290 PolarHBondContact O-N 3.07Å; A288-R291 PolarHBondContact O-N 3.26Å; A288-S292 PolarHBondContact O-N 3.05Å; A288-L298 HydrophobicContact CB-CD1 4.32Å; A288-F300 HydrophobicContact CB-CE1 4.27Å; A288-F300 HydrophobicContact CB-CZ 4.09Å |
| 289 | S | 85.6 | Confident | 79.8 | Confident | 45 Ų | 45 | 74 Ų | 74 | 32% | 0.315 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -57 | -47 | 175.9 | -177.7 | 0 | 0 | 0 | 0 | 111.2 | L285 S286 R291 S292 | L285-S289 WeakPolarHBondContact O-CB 3.21Å; L285-S289 PolarHBondContact O-N 3.33Å; S286-S289 PolarHBondContact O-N 2.8Å; S289-R291 PolarHBondContact O-N 2.84Å; S289-S292 PolarHBondContact O-N 2.82Å; S289-S292 PolarHBondContact O-OG 3.25Å |
| 290 | N | 83.4 | Confident | 79.5 | Confident | 117 Ų | 117 | 69.3 Ų | 69.3 | 63% | 0.626 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -64.7 | -35.2 | 179.6 | -70.7 | -31.9 | 0 | 0 | 0 | 114.3 | S286 A288 S292 | S286-N290 PolarHBondContact O-N 2.86Å; S286-N290 PolarHBondContact O-ND2 2.88Å; A288-N290 VanDerWaalsContact C-N 3.34Å; A288-N290 PolarHBondContact O-N 3.07Å; N290-S292 VanDerWaalsContact C-N 3.29Å; N290-S292 PolarHBondContact O-N 3.16Å |
| 291 | R | 77 | Confident | 79.3 | Confident | 188 Ų | 188 | 70.3 Ų | 70.3 | 71% | 0.709 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -67.5 | -31.8 | 176.5 | -73.5 | 176.4 | -175.5 | -175.4 | 0.9 | 112.3 | K287 A288 S289 G293 Q294 | K287-R291 WeakPolarHBondContact O-CG 3.38Å; K287-R291 PolarHBondContact O-N 3.41Å; K287-R291 VanDerWaalsContact O-N 3.16Å; A288-R291 PolarHBondContact O-N 3.26Å; S289-R291 PolarHBondContact O-N 2.84Å; R291-G293 VanDerWaalsContact C-N 3.27Å; R291-G293 PolarHBondContact O-N 2.88Å; R291-Q294 PolarHBondContact O-N 3.26Å |
| 292 | S | 64.5 | Low | 79.2 | Confident | 16 Ų | 16 | 73.8 Ų | 73.8 | 11% | 0.112 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -70.3 | -21.7 | -173.5 | 79.3 | 0 | 0 | 0 | 0 | 114.7 | A288 S289 N290 Q294 S296 L298 | A288-S292 PolarHBondContact O-N 3.05Å; S289-S292 PolarHBondContact O-N 2.82Å; S289-S292 PolarHBondContact O-OG 3.25Å; N290-S292 VanDerWaalsContact C-N 3.29Å; N290-S292 PolarHBondContact O-N 3.16Å; S292-Q294 PolarHBondContact O-N 3.1Å; S292-S296 CarbonylContact O-C 3.33Å; S292-L298 PolarHBondContact OG-N 2.72Å |
| 293 | G | 57.8 | Low | 79.1 | Confident | 71 Ų | 71 | 76.1 Ų | 76.1 | 73% | 0.732 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -8.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | R291 | R291-G293 VanDerWaalsContact C-N 3.27Å; R291-G293 PolarHBondContact O-N 2.88Å |
| 294 | Q | 53.9 | Low | 79.2 | Confident | 181 Ų | 181 | 74.8 Ų | 74.8 | 85% | 0.846 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | 3.3 | -175.3 | -66.8 | -170.7 | -8.4 | 0 | 0 | 115.9 | R291 S292 | R291-Q294 PolarHBondContact O-N 3.26Å; S292-Q294 PolarHBondContact O-N 3.1Å |
| 295 | G | 50.7 | Low | 79.3 | Confident | 79 Ų | 79 | 74.8 Ų | 74.8 | 81% | 0.814 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 175.7 | -11.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||
| 296 | S | 53.6 | Low | 79.5 | Confident | 90 Ų | 90 | 79.7 Ų | 79.7 | 63% | 0.629 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -168.7 | 111.7 | 166.5 | -175.6 | 0 | 0 | 0 | 0 | 107.1 | S292 L298 | S292-S296 CarbonylContact O-C 3.33Å; S296-L298 PolarHBondContact O-N 2.95Å; S296-L298 VanDerWaalsContact O-N 3.14Å |
| 297 | P | 55.2 | Low | 79.6 | Confident | 94 Ų | 94 | 78.3 Ų | 78.3 | 61% | 0.61 | 43% | 0.432 | S | S | * | . | trans | -64.4 | 120.5 | -174.8 | 24.4 | -30.6 | 0 | 0 | 0 | 109.3 | Q299 | P297-Q299 PolarHBondContact O-N 2.69Š| ||
| 298 | L | 63.3 | Low | 79.7 | Confident | 57 Ų | 57 | 76.3 Ų | 76.3 | 30% | 0.298 | 43% | 0.433 | S | S | . | . | trans | -64.8 | 119.3 | 167.1 | -74.3 | 170.9 | 0 | 0 | 0 | 104.8 | L256 A288 S292 S296 F300 | L256-L298 HydrophobicContact CB-CD2 4.2Å; L256-L298 HydrophobicContact CD1-CD1 4.17Å; A288-L298 HydrophobicContact CB-CD1 4.32Å; S292-L298 PolarHBondContact OG-N 2.72Å; S296-L298 PolarHBondContact O-N 2.95Å; S296-L298 VanDerWaalsContact O-N 3.14Å; L298-F300 HydrophobicContact CB-CD1 3.73Å; L298-F300 HydrophobicContact CB-CE1 3.78Å; L298-F300 HydrophobicContact CD1-CD1 4.47Å; L298-F300 HydrophobicContact CD1-CE1 3.87Å; L298-F300 HydrophobicContact CG-CE1 4.42Å; L298-F300 PolarHBondContact O-N 3Å | ||
| 299 | Q | 79.9 | Confident | 79.9 | Confident | 138 Ų | 138 | 79.9 Ų | 79.9 | 65% | 0.645 | 45% | 0.45 | S | S | * | . | trans | -80.4 | 5.1 | -171.2 | -67.7 | -177.4 | -7.2 | 0 | 0 | 113.5 | S259 P297 | S259-Q299 PolarHBondContact OG-O 2.97Å; P297-Q299 PolarHBondContact O-N 2.69Å | ||
| 300 | F | 91.5 | Very high | 80.2 | Confident | 7 Ų | 7 | 78.8 Ų | 78.8 | 3% | 0.031 | 44% | 0.44 | C | S | . | . | trans | -75.9 | 151.4 | 176.8 | 82.9 | -89.1 | 0 | 0 | 0 | 110.7 | L256 L260 W262 L285 A288 L298 Y302 | L256-F300 HydrophobicContact CB-CD1 4.25Å; L256-F300 HydrophobicContact CB-CE1 4.44Å; L256-F300 HydrophobicContact CD1-CE1 4.02Å; L256-F300 HydrophobicContact CD1-CZ 4.5Å; L256-F300 HydrophobicContact CD2-CD1 3.89Å; L256-F300 HydrophobicContact CD2-CD2 4.47Å; L256-F300 HydrophobicContact CD2-CE1 3.87Å; L256-F300 HydrophobicContact CD2-CE2 4.43Å; L256-F300 HydrophobicContact CD2-CG 4.23Å; L256-F300 HydrophobicContact CD2-CZ 4.15Å; L256-F300 HydrophobicContact CG-CD1 4.47Å; L256-F300 HydrophobicContact CG-CE1 4.33Å; L260-F300 CarbonylContact O-C 3.47Å; L260-F300 WeakPolarHBondContact O-CA 3.3Å; L260-F300 VanDerWaalsContact O-CB 3.26Å; L260-F300 WeakPolarHBondContact O-CB 3.41Å; W262-F300 AromaticContact CD1-CD2 3.9Å; L285-F300 HydrophobicContact CB-CE2 4.17Å; L285-F300 HydrophobicContact CD2-CD2 4.35Å; L285-F300 HydrophobicContact CD2-CE2 3.77Å; L285-F300 HydrophobicContact CD2-CZ 4.26Å; L285-F300 WeakPolarHBondContact O-CZ 3.46Å; A288-F300 HydrophobicContact CB-CE1 4.27Å; A288-F300 HydrophobicContact CB-CZ 4.09Å; L298-F300 HydrophobicContact CB-CD1 3.73Å; L298-F300 HydrophobicContact CB-CE1 3.78Å; L298-F300 HydrophobicContact CD1-CD1 4.47Å; L298-F300 HydrophobicContact CD1-CE1 3.87Å; L298-F300 HydrophobicContact CG-CE1 4.42Å; L298-F300 PolarHBondContact O-N 3Å; F300-Y302 HydrophobicContact CE2-CD1 4.02Å | ||
| 301 | T | 93.3 | Very high | 80.7 | Confident | 80 Ų | 80 | 73.4 Ų | 73.4 | 49% | 0.491 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 154.9 | 168.9 | 53.5 | 0 | 0 | 0 | 0 | 108.7 | L260 H261 W262 | L260-T301 PolarHBondContact O-N 3.41Å; H261-T301 CarbonylContact C-O 3.56Å; H261-T301 WeakPolarHBondContact CA-O 3.24Å; H261-T301 PolarHBondContact ND1-OG1 3.22Å; W262-T301 PolarHBondContact N-O 2.87Å |
| 302 | Y | 95.4 | Very high | 81.5 | Confident | 73 Ų | 73 | 64.7 Ų | 64.7 | 29% | 0.286 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 153.1 | 175.8 | 80.6 | -78.3 | 0 | 0 | 0 | 111.2 | W262 L285 S286 F300 | W262-Y302 CarbonylContact O-C 3.16Å; W262-Y302 VanDerWaalsContact O-CA 3.24Å; W262-Y302 WeakPolarHBondContact O-CA 3.29Å; L285-Y302 HydrophobicContact CB-CD1 4.06Å; L285-Y302 HydrophobicContact CB-CD2 4.03Å; L285-Y302 HydrophobicContact CB-CE1 4.41Å; L285-Y302 HydrophobicContact CB-CE2 4.38Å; L285-Y302 HydrophobicContact CB-CG 3.87Å; L285-Y302 HydrophobicContact CD1-CD2 4.31Å; L285-Y302 HydrophobicContact CD1-CG 4.26Å; S286-Y302 VanDerWaalsContact CA-OH 3.3Å; S286-Y302 WeakPolarHBondContact CA-OH 3.31Å; S286-Y302 WeakPolarHBondContact CB-OH 2.92Å; S286-Y302 PolarHBondContact OG-OH 2.95Å; S286-Y302 VanDerWaalsContact OG-OH 3.1Å; F300-Y302 HydrophobicContact CE2-CD1 4.02Å |
| 303 | E | 97.3 | Very high | 82.9 | Confident | 58 Ų | 58 | 64.7 Ų | 64.7 | 27% | 0.271 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 156.9 | 167.4 | 63.1 | 174.6 | 120 | 0 | 0 | 110.8 | H261 W262 I263 V264 K331 | H261-E303 IonicContact CE1-OE1 2.95Å; H261-E303 IonicContact NE2-OE1 2.89Å; H261-E303 PolarHBondContact NE2-OE1 2.85Å; H261-E303 VanDerWaalsContact NE2-OE1 3.16Å; W262-E303 PolarHBondContact O-N 2.89Å; I263-E303 WeakPolarHBondContact CA-O 3.47Å; I263-E303 HydrophobicContact CG1-CG 3.97Å; V264-E303 PolarHBondContact N-O 3.08Å; E303-K331 WeakPolarHBondContact OE1-CE 3.4Å; E303-K331 IonicContact OE1-NZ 2.86Å; E303-K331 PolarHBondContact OE1-NZ 3.39Å; E303-K331 WeakPolarHBondContact OE2-CE 3.46Å; E303-K331 IonicContact OE2-NZ 2.72Å; E303-K331 PolarHBondContact OE2-NZ 2.93Å |
| 304 | T | 98.3 | Very high | 84.5 | Confident | 65 Ų | 65 | 61.5 Ų | 61.5 | 40% | 0.399 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 139.7 | 172.8 | 58.4 | 0 | 0 | 0 | 0 | 109.8 | V264 W266 A282 | V264-T304 CarbonylContact O-C 3.53Å; V264-T304 VanDerWaalsContact O-CA 3.29Å; V264-T304 WeakPolarHBondContact O-CA 3.3Å; W266-T304 HydrophobicContact CH2-CG2 3.83Å; W266-T304 HydrophobicContact CZ3-CG2 3.77Å; A282-T304 HydrophobicContact CB-CG2 3.61Å |
| 305 | F | 98.1 | Very high | 86.3 | Confident | 41 Ų | 41 | 53 Ų | 53 | 18% | 0.18 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 109.2 | 179.2 | -164.8 | -96.6 | 0 | 0 | 0 | 111.6 | I263 V264 A265 W266 M307 A327 I328 K331 | I263-F305 HydrophobicContact CG2-CB 3.83Å; V264-F305 PolarHBondContact O-N 3.33Å; A265-F305 WeakPolarHBondContact CA-O 3.32Å; A265-F305 HydrophobicContact CB-CB 4Å; W266-F305 PolarHBondContact N-O 3.02Å; W266-F305 VanDerWaalsContact N-O 3.1Å; F305-M307 HydrophobicContact CD1-CG 3.77Å; F305-M307 HydrophobicContact CE1-CG 3.89Å; F305-A327 HydrophobicContact CE1-CB 4.19Å; F305-A327 HydrophobicContact CZ-CB 4.06Å; F305-I328 HydrophobicContact CD1-CB 4.44Å; F305-I328 HydrophobicContact CD1-CD1 3.75Å; F305-I328 HydrophobicContact CE1-CB 4.16Å; F305-I328 HydrophobicContact CE1-CD1 4.17Å; F305-I328 HydrophobicContact CG-CD1 4.31Å; F305-K331 HydrophobicContact CD2-CD 4.18Å; F305-K331 HydrophobicContact CD2-CG 4.07Å; F305-K331 HydrophobicContact CE2-CB 4.1Å; F305-K331 HydrophobicContact CE2-CD 4.05Å; F305-K331 HydrophobicContact CE2-CG 4.04Å; F305-K331 HydrophobicContact CZ-CB 4.17Å |
| 306 | Y | 96.9 | Very high | 88.4 | Confident | 104 Ų | 104 | 49.5 Ų | 49.5 | 41% | 0.408 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 117.1 | 177.1 | -176.1 | -94.6 | 0 | 0 | 0 | 110.1 | W266 E268 S308 | W266-Y306 AromaticContact CD1-CD2 3.96Å; W266-Y306 AromaticContact NE1-CD2 3.39Å; W266-Y306 AromaticContact NE1-CE2 3.84Å; E268-Y306 WeakPolarHBondContact CA-OH 3.37Å; E268-Y306 HydrophobicContact CB-CE1 3.98Å; E268-Y306 HydrophobicContact CB-CE2 4.43Å; E268-Y306 VanDerWaalsContact CB-OH 3.24Å; E268-Y306 WeakPolarHBondContact CB-OH 3.44Å; E268-Y306 HydrophobicContact CG-CE1 4.49Å; E268-Y306 WeakPolarHBondContact CG-OH 3.47Å; Y306-S308 WeakPolarHBondContact CD1-OG 3.38Å; Y306-S308 PolarHBondContact O-N 3.22Å |
| 307 | M | 96.2 | Very high | 90.2 | Very high | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.02 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 93.8 | 178.1 | -56.7 | 178.5 | -70.2 | 0 | 0 | 109.8 | M212 W266 A267 E268 F305 E310 I328 | M212-M307 HydrophobicContact CG-CE 3.64Å; M212-M307 HydrophobicContact CG-SD 4.3Å; M212-M307 HydrophobicContact SD-CE 3.8Å; M212-M307 HydrophobicContact SD-SD 3.8Å; W266-M307 PolarHBondContact O-N 3.36Å; A267-M307 HydrophobicContact CB-CE 3.9Å; E268-M307 PolarHBondContact N-O 3Å; F305-M307 HydrophobicContact CD1-CG 3.77Å; F305-M307 HydrophobicContact CE1-CG 3.89Å; M307-E310 HydrophobicContact CB-CB 3.92Å; M307-E310 HydrophobicContact CB-CG 4.1Å; M307-I328 HydrophobicContact CG-CB 4.38Å; M307-I328 HydrophobicContact SD-CB 3.68Å; M307-I328 HydrophobicContact SD-CG1 4.21Å; M307-I328 HydrophobicContact SD-CG2 3.72Å |
| 308 | S | 93.5 | Very high | 91.8 | Very high | 80 Ų | 80 | 41 Ų | 41 | 56% | 0.559 | 21% | 0.209 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 141.8 | 176 | -54.5 | 0 | 0 | 0 | 0 | 111.5 | E268 Y306 E310 | E268-S308 WeakPolarHBondContact OE2-CA 3.44Å; Y306-S308 WeakPolarHBondContact CD1-OG 3.38Å; Y306-S308 PolarHBondContact O-N 3.22Å; S308-E310 PolarHBondContact O-N 2.7Å |
| 309 | N | 91.6 | Very high | 93.4 | Very high | 89 Ų | 89 | 38.2 Ų | 38.2 | 48% | 0.476 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 56.3 | 26.5 | 179.5 | -160.9 | 46.2 | 0 | 0 | 0 | 115.4 | I26 E268 | I26-N309 WeakPolarHBondContact CD1-O 3.38Å; E268-N309 PolarHBondContact OE2-N 2.97Å |
| 310 | E | 93.8 | Very high | 94.2 | Very high | 22 Ų | 22 | 33.6 Ų | 33.6 | 10% | 0.103 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 149.6 | 174.5 | -66.2 | -65.3 | 159.8 | 0 | 0 | 110 | R29 A267 E268 Y269 M307 S308 T314 S315 | R29-E310 IonicContact CZ-OE1 3.16Å; R29-E310 IonicContact NH1-OE1 3.32Å; R29-E310 PolarHBondContact NH1-OE1 3.04Å; R29-E310 IonicContact NH1-OE2 3.57Å; R29-E310 PolarHBondContact NH1-OE2 3.34Å; R29-E310 IonicContact NH2-OE1 2.69Å; R29-E310 PolarHBondContact NH2-OE1 2.99Å; A267-E310 HydrophobicContact CB-CB 4.18Å; A267-E310 WeakPolarHBondContact CB-O 3.37Å; E268-E310 PolarHBondContact N-O 2.9Å; Y269-E310 PolarHBondContact N-O 3.35Å; M307-E310 HydrophobicContact CB-CB 3.92Å; M307-E310 HydrophobicContact CB-CG 4.1Å; S308-E310 PolarHBondContact O-N 2.7Å; E310-T314 WeakPolarHBondContact OE2-CB 3.45Å; E310-T314 PolarHBondContact OE2-OG1 2.88Å; E310-S315 PolarHBondContact OE2-N 3.04Å; E310-S315 VanDerWaalsContact OE2-N 3.12Å |
| 311 | D | 93.6 | Very high | 94.3 | Very high | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | -175.9 | 166.8 | 65.7 | 45.3 | 0 | 0 | 0 | 111.7 | L25 I26 Y269 F313 T314 S315 | L25-D311 WeakPolarHBondContact CA-OD2 3.23Å; L25-D311 HydrophobicContact CD2-CB 4.05Å; L25-D311 WeakPolarHBondContact CD2-OD1 3.43Å; I26-D311 HydrophobicContact CD1-CB 4.28Å; I26-D311 HydrophobicContact CG1-CB 4.13Å; I26-D311 PolarHBondContact N-OD2 3.41Å; Y269-D311 WeakPolarHBondContact O-CA 3.11Å; Y269-D311 VanDerWaalsContact O-CB 3.3Å; Y269-D311 WeakPolarHBondContact O-CB 3.07Å; D311-F313 PolarHBondContact O-N 3.37Å; D311-F313 VanDerWaalsContact O-N 3.14Å; D311-F313 WeakPolarHBondContact OD1-CA 3.49Å; D311-F313 PolarHBondContact OD1-N 2.61Å; D311-T314 PolarHBondContact N-OG1 2.98Å; D311-T314 PolarHBondContact OD1-N 3.11Å; D311-T314 PolarHBondContact OD1-OG1 3.4Å; D311-S315 WeakPolarHBondContact O-CB 3.4Å; D311-S315 PolarHBondContact O-N 3.07Å; D311-S315 PolarHBondContact O-OG 3.36Å |
| 312 | H | 93.9 | Very high | 94.3 | Very high | 6 Ų | 6 | 33.7 Ų | 33.7 | 3% | 0.028 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -26 | -178.6 | -161.1 | 84.4 | 0 | 0 | 0 | 114 | T21 L25 H178 S179 E270 | T21-H312 HydrophobicContact CG2-CB 4.38Å; L25-H312 HydrophobicContact CD2-CB 4.47Å; H178-H312 AromaticContact CE1-CD2 3.87Å; H178-H312 AromaticContact CE1-NE2 3.72Å; H178-H312 PolarHBondContact CE1-O 2.72Å; H178-H312 AromaticContact NE2-CD2 3.84Å; H178-H312 AromaticContact NE2-NE2 3.74Å; H178-H312 PolarHBondContact NE2-O 3.28Å; S179-H312 VanDerWaalsContact CB-NE2 3.32Å; S179-H312 WeakPolarHBondContact CB-NE2 3.09Å; S179-H312 PolarHBondContact OG-CE1 2.85Å; S179-H312 PolarHBondContact OG-NE2 3.13Å; E270-H312 HydrophobicContact CG-CB 4.42Å; E270-H312 IonicContact OE1-CE1 3.07Å; E270-H312 IonicContact OE1-CG 2.71Å; E270-H312 IonicContact OE1-ND1 2.87Å; E270-H312 PolarHBondContact OE1-ND1 3.41Å |
| 313 | F | 92.6 | Very high | 94.3 | Very high | 15 Ų | 15 | 32.6 Ų | 32.6 | 7% | 0.066 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -42.6 | -175.8 | -65.7 | -13.1 | 0 | 0 | 0 | 112.5 | A22 L25 L34 V38 L42 D311 S315 L316 L317 | A22-F313 HydrophobicContact CB-CE2 4.46Å; L25-F313 HydrophobicContact CD1-CD2 3.4Å; L25-F313 HydrophobicContact CD1-CE2 3.63Å; L25-F313 HydrophobicContact CD1-CG 4.38Å; L25-F313 HydrophobicContact CD2-CB 4.17Å; L25-F313 HydrophobicContact CD2-CD1 4.47Å; L25-F313 HydrophobicContact CD2-CD2 3.63Å; L25-F313 HydrophobicContact CD2-CE2 4.11Å; L25-F313 HydrophobicContact CD2-CG 3.83Å; L25-F313 HydrophobicContact CG-CD2 4.17Å; L25-F313 HydrophobicContact CG-CE2 4.44Å; L34-F313 HydrophobicContact CD1-CD2 4.26Å; V38-F313 HydrophobicContact CG1-CD2 4.02Å; V38-F313 HydrophobicContact CG1-CE2 3.74Å; L42-F313 HydrophobicContact CD1-CB 4.11Å; L42-F313 HydrophobicContact CD1-CG 4.33Å; L42-F313 HydrophobicContact CD2-CB 4.29Å; L42-F313 HydrophobicContact CD2-CD1 3.6Å; L42-F313 HydrophobicContact CD2-CD2 3.71Å; L42-F313 HydrophobicContact CD2-CE1 3.73Å; L42-F313 HydrophobicContact CD2-CE2 3.84Å; L42-F313 HydrophobicContact CD2-CG 3.61Å; L42-F313 HydrophobicContact CD2-CZ 3.86Å; D311-F313 PolarHBondContact O-N 3.37Å; D311-F313 VanDerWaalsContact O-N 3.14Å; D311-F313 WeakPolarHBondContact OD1-CA 3.49Å; D311-F313 PolarHBondContact OD1-N 2.61Å; F313-S315 PolarHBondContact O-N 3.41Å; F313-L316 WeakPolarHBondContact O-CB 3.43Å; F313-L316 PolarHBondContact O-N 3.48Å; F313-L317 PolarHBondContact O-N 2.93Å |
| 314 | T | 91.5 | Very high | 94.1 | Very high | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.031 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.7 | -33.1 | -179.5 | 63.9 | 0 | 0 | 0 | 0 | 111.7 | R29 F32 E310 D311 L316 L317 G318 | R29-T314 PolarHBondContact NH1-OG1 3.02Å; F32-T314 HydrophobicContact CB-CG2 4.26Å; F32-T314 HydrophobicContact CD2-CG2 4.39Å; E310-T314 WeakPolarHBondContact OE2-CB 3.45Å; E310-T314 PolarHBondContact OE2-OG1 2.88Å; D311-T314 PolarHBondContact N-OG1 2.98Å; D311-T314 PolarHBondContact OD1-N 3.11Å; D311-T314 PolarHBondContact OD1-OG1 3.4Å; T314-L316 PolarHBondContact O-N 3.22Å; T314-L317 PolarHBondContact O-N 3.22Å; T314-G318 PolarHBondContact O-N 3.12Å |
| 315 | S | 92.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.007 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.7 | -31.2 | 173.5 | 52.8 | 0 | 0 | 0 | 0 | 113.2 | E310 D311 F313 | E310-S315 PolarHBondContact OE2-N 3.04Å; E310-S315 VanDerWaalsContact OE2-N 3.12Å; D311-S315 WeakPolarHBondContact O-CB 3.4Å; D311-S315 PolarHBondContact O-N 3.07Å; D311-S315 PolarHBondContact O-OG 3.36Å; F313-S315 PolarHBondContact O-N 3.41Å |
| 316 | L | 93.7 | Very high | 93.6 | Very high | 7 Ų | 7 | 37.9 Ų | 37.9 | 4% | 0.037 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -82.7 | -41.9 | 175.4 | -179.4 | 67.9 | 0 | 0 | 0 | 112 | L46 Y100 N116 M212 F313 T314 L319 | L46-L316 HydrophobicContact CD1-CD2 3.85Å; L46-L316 HydrophobicContact CD2-CD2 3.92Å; L46-L316 HydrophobicContact CD2-CG 4.06Å; Y100-L316 WeakPolarHBondContact OH-CD1 3.34Å; N116-L316 PolarHBondContact ND2-O 3.24Å; M212-L316 HydrophobicContact CE-CB 4.37Å; F313-L316 WeakPolarHBondContact O-CB 3.43Å; F313-L316 PolarHBondContact O-N 3.48Å; T314-L316 PolarHBondContact O-N 3.22Å; L316-L319 HydrophobicContact CD1-CD1 3.9Å; L316-L319 WeakPolarHBondContact O-CB 3.37Å; L316-L319 WeakPolarHBondContact O-CG 3.48Å; L316-L319 PolarHBondContact O-N 2.95Å |
| 317 | L | 92 | Very high | 93.5 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.1 | -41.2 | -178.7 | -72.6 | 174.2 | 0 | 0 | 0 | 112.4 | F32 L42 L45 L46 F313 T314 L319 H320 | F32-L317 HydrophobicContact CD1-CD1 3.57Å; F32-L317 HydrophobicContact CE1-CB 4.11Å; F32-L317 HydrophobicContact CE1-CD1 3.89Å; F32-L317 HydrophobicContact CG-CD1 4.24Å; F32-L317 HydrophobicContact CZ-CB 4.4Å; L42-L317 HydrophobicContact CD1-CD1 3.85Å; L42-L317 HydrophobicContact CD1-CD2 3.89Å; L42-L317 HydrophobicContact CD1-CG 3.84Å; L45-L317 HydrophobicContact CB-CD2 4.28Å; L45-L317 HydrophobicContact CD2-CD1 3.87Å; L45-L317 HydrophobicContact CD2-CD2 3.51Å; L45-L317 HydrophobicContact CD2-CG 4.26Å; L45-L317 HydrophobicContact CG-CD2 3.79Å; L46-L317 HydrophobicContact CD2-CD2 3.82Å; L46-L317 HydrophobicContact CG-CD2 4.1Å; F313-L317 PolarHBondContact O-N 2.93Å; T314-L317 PolarHBondContact O-N 3.22Å; L317-L319 PolarHBondContact O-N 3.29Å; L317-L319 VanDerWaalsContact O-N 3.15Å; L317-H320 WeakPolarHBondContact O-CB 3.47Å; L317-H320 PolarHBondContact O-N 3.09Å |
| 318 | G | 90 | Very high | 93.5 | Very high | 4 Ų | 4 | 35.7 Ų | 35.7 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -16.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114 | T314 H320 D321 S326 | T314-G318 PolarHBondContact O-N 3.12Å; G318-H320 PolarHBondContact O-N 3.3Å; G318-D321 PolarHBondContact O-N 3.32Å; G318-S326 VanDerWaalsContact O-CB 3.31Å; G318-S326 WeakPolarHBondContact O-CB 3.31Å |
| 319 | L | 96.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -31.9 | 174.5 | -60.4 | 177.9 | 0 | 0 | 0 | 111.8 | W117 P120 F176 L316 L317 D321 I328 L329 | W117-L319 HydrophobicContact CB-CB 3.46Å; W117-L319 VanDerWaalsContact CB-CB 3.46Å; W117-L319 HydrophobicContact CB-CD1 4.47Å; W117-L319 HydrophobicContact CD2-CB 4.1Å; W117-L319 HydrophobicContact CD2-CD1 3.72Å; W117-L319 HydrophobicContact CD2-CG 4.42Å; W117-L319 HydrophobicContact CE3-CB 4.35Å; W117-L319 HydrophobicContact CE3-CD1 4.22Å; W117-L319 HydrophobicContact CG-CB 3.75Å; W117-L319 HydrophobicContact CG-CD1 3.84Å; W117-L319 HydrophobicContact CG-CG 4.42Å; W117-L319 HydrophobicContact CZ2-CD1 4.35Å; P120-L319 WeakPolarHBondContact CG-O 3.47Å; F176-L319 HydrophobicContact CZ-CD1 4.22Å; L316-L319 HydrophobicContact CD1-CD1 3.9Å; L316-L319 WeakPolarHBondContact O-CB 3.37Å; L316-L319 WeakPolarHBondContact O-CG 3.48Å; L316-L319 PolarHBondContact O-N 2.95Å; L317-L319 PolarHBondContact O-N 3.29Å; L317-L319 VanDerWaalsContact O-N 3.15Å; L319-D321 VanDerWaalsContact C-N 3.31Å; L319-D321 PolarHBondContact O-N 2.93Å; L319-I328 HydrophobicContact CD2-CG2 3.83Å; L319-L329 HydrophobicContact CD2-CB 3.81Å; L319-L329 WeakPolarHBondContact O-CD2 3.4Å |
| 320 | H | 96.6 | Very high | 93.9 | Very high | 41 Ų | 41 | 33 Ų | 33 | 19% | 0.19 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -37 | -179.5 | -178.5 | 73.8 | 0 | 0 | 0 | 112.7 | Q49 F52 N116 P120 L317 G318 G322 | Q49-H320 HydrophobicContact CG-CB 4.15Å; F52-H320 AromaticContact CD1-CE1 3.63Å; N116-H320 PolarHBondContact O-ND1 2.81Å; P120-H320 WeakPolarHBondContact CG-O 3.29Å; L317-H320 WeakPolarHBondContact O-CB 3.47Å; L317-H320 PolarHBondContact O-N 3.09Å; G318-H320 PolarHBondContact O-N 3.3Å; H320-G322 PolarHBondContact O-N 3.38Å |
| 321 | D | 93.5 | Very high | 94.1 | Very high | 79 Ų | 79 | 34.4 Ų | 34.4 | 42% | 0.422 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 5.5 | -170.7 | -58.8 | -40.7 | 0 | 0 | 0 | 113.2 | G318 L319 H325 | G318-D321 PolarHBondContact O-N 3.32Å; L319-D321 VanDerWaalsContact C-N 3.31Å; L319-D321 PolarHBondContact O-N 2.93Å; D321-H325 HydrophobicContact CB-CB 3.72Å; D321-H325 PolarHBondContact O-ND1 3.48Å |
| 322 | G | 93.9 | Very high | 94.2 | Very high | 9 Ų | 9 | 34.2 Ų | 34.2 | 9% | 0.093 | 18% | 0.184 | C | C | . | . | trans | 86.4 | 176.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | H320 N324 H325 S326 L329 | H320-G322 PolarHBondContact O-N 3.38Å; G322-N324 PolarHBondContact O-N 3.18Å; G322-N324 VanDerWaalsContact O-N 3.11Å; G322-H325 PolarHBondContact O-N 2.84Å; G322-S326 PolarHBondContact O-N 3.04Å; G322-L329 VanDerWaalsContact C-CD2 3.47Å | ||
| 323 | P | 94.1 | Very high | 94.3 | Very high | 50 Ų | 50 | 34.7 Ų | 34.7 | 33% | 0.325 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -14.7 | -169.6 | 27.2 | -36 | 0 | 0 | 0 | 114.2 | H325 L329 K330 | P323-H325 VanDerWaalsContact C-N 3.31Å; P323-L329 HydrophobicContact CB-CG 4.42Å; P323-K330 HydrophobicContact CB-CB 3.94Å; P323-K330 HydrophobicContact CB-CG 4.44Å |
| 324 | N | 92.5 | Very high | 94.4 | Very high | 151 Ų | 151 | 38.1 Ų | 38.1 | 81% | 0.807 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -19.5 | 174 | -68.5 | -22.3 | 0 | 0 | 0 | 112.9 | G322 | G322-N324 PolarHBondContact O-N 3.18Å; G322-N324 VanDerWaalsContact O-N 3.11Å |
| 325 | H | 91.5 | Very high | 94.5 | Very high | 121 Ų | 121 | 38.6 Ų | 38.6 | 56% | 0.56 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -112.3 | -14 | -177.1 | -60.6 | 101.7 | 0 | 0 | 0 | 113.1 | D321 G322 P323 | D321-H325 HydrophobicContact CB-CB 3.72Å; D321-H325 PolarHBondContact O-ND1 3.48Å; G322-H325 PolarHBondContact O-N 2.84Å; P323-H325 VanDerWaalsContact C-N 3.31Å |
| 326 | S | 95 | Very high | 94.3 | Very high | 4 Ų | 4 | 38.6 Ų | 38.6 | 3% | 0.028 | 21% | 0.207 | C | C | . | . | trans | -127.8 | 111.9 | 175.6 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | G318 G322 I328 L329 K330 | G318-S326 VanDerWaalsContact O-CB 3.31Å; G318-S326 WeakPolarHBondContact O-CB 3.31Å; G322-S326 PolarHBondContact O-N 3.04Å; S326-I328 VanDerWaalsContact C-N 3.27Å; S326-I328 PolarHBondContact O-N 3.11Å; S326-I328 VanDerWaalsContact OG-CG2 3.22Å; S326-I328 WeakPolarHBondContact OG-CG2 3.12Å; S326-L329 PolarHBondContact O-N 3.35Å; S326-L329 WeakPolarHBondContact OG-CB 3.39Å; S326-L329 PolarHBondContact OG-N 2.9Å; S326-L329 VanDerWaalsContact OG-N 3.11Å; S326-K330 PolarHBondContact O-N 3.16Å | ||
| 327 | A | 94.9 | Very high | 94 | Very high | 61 Ų | 61 | 42.4 Ų | 42.4 | 50% | 0.504 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.7 | -36.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | F305 K330 K331 | F305-A327 HydrophobicContact CE1-CB 4.19Å; F305-A327 HydrophobicContact CZ-CB 4.06Å; A327-K330 PolarHBondContact O-N 3.31Å; A327-K331 WeakPolarHBondContact O-CB 3.37Å; A327-K331 PolarHBondContact O-N 3.28Å |
| 328 | I | 96.8 | Very high | 93.1 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -70.3 | -38.3 | 176.1 | -173.1 | 62.7 | 0 | 0 | 0 | 111.3 | F176 V210 M212 I263 A265 F305 M307 L319 S326 K331 I332 | F176-I328 HydrophobicContact CE2-CG1 4.38Å; V210-I328 HydrophobicContact CG1-CD1 4.15Å; M212-I328 HydrophobicContact SD-CG1 4.11Å; M212-I328 HydrophobicContact SD-CG2 3.98Å; I263-I328 HydrophobicContact CG2-CD1 4.42Å; A265-I328 HydrophobicContact CB-CD1 3.94Å; F305-I328 HydrophobicContact CD1-CB 4.44Å; F305-I328 HydrophobicContact CD1-CD1 3.75Å; F305-I328 HydrophobicContact CE1-CB 4.16Å; F305-I328 HydrophobicContact CE1-CD1 4.17Å; F305-I328 HydrophobicContact CG-CD1 4.31Å; M307-I328 HydrophobicContact CG-CB 4.38Å; M307-I328 HydrophobicContact SD-CB 3.68Å; M307-I328 HydrophobicContact SD-CG1 4.21Å; M307-I328 HydrophobicContact SD-CG2 3.72Å; L319-I328 HydrophobicContact CD2-CG2 3.83Å; S326-I328 VanDerWaalsContact C-N 3.27Å; S326-I328 PolarHBondContact O-N 3.11Å; S326-I328 VanDerWaalsContact OG-CG2 3.22Å; S326-I328 WeakPolarHBondContact OG-CG2 3.12Å; I328-K331 WeakPolarHBondContact O-CB 3.5Å; I328-K331 PolarHBondContact O-N 3.39Å; I328-I332 HydrophobicContact CG1-CD1 4.3Å; I328-I332 VanDerWaalsContact O-CG1 3.24Å; I328-I332 WeakPolarHBondContact O-CG1 3.48Å; I328-I332 PolarHBondContact O-N 2.99Å |
| 329 | L | 97.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.8 | -45.4 | 173.6 | 179.3 | 56.3 | 0 | 0 | 0 | 111.1 | W117 P120 L319 G322 P323 S326 K331 I332 I333 | W117-L329 HydrophobicContact CE3-CD1 3.86Å; W117-L329 HydrophobicContact CZ3-CD1 3.89Å; P120-L329 HydrophobicContact CB-CD2 3.63Å; P120-L329 HydrophobicContact CG-CD2 4.2Å; L319-L329 HydrophobicContact CD2-CB 3.81Å; L319-L329 WeakPolarHBondContact O-CD2 3.4Å; G322-L329 VanDerWaalsContact C-CD2 3.47Å; P323-L329 HydrophobicContact CB-CG 4.42Å; S326-L329 PolarHBondContact O-N 3.35Å; S326-L329 WeakPolarHBondContact OG-CB 3.39Å; S326-L329 PolarHBondContact OG-N 2.9Å; S326-L329 VanDerWaalsContact OG-N 3.11Å; L329-K331 VanDerWaalsContact C-N 3.26Å; L329-K331 PolarHBondContact O-N 3.5Å; L329-I332 WeakPolarHBondContact O-CB 3.42Å; L329-I332 PolarHBondContact O-N 3.39Å; L329-I332 VanDerWaalsContact O-N 3.08Å; L329-I333 HydrophobicContact CD1-CD1 4.09Å; L329-I333 HydrophobicContact CD1-CG1 3.97Å; L329-I333 HydrophobicContact CG-CG1 4.25Å; L329-I333 WeakPolarHBondContact O-CG1 3.38Å; L329-I333 PolarHBondContact O-N 3.01Å |
| 330 | K | 96.7 | Very high | 89.8 | Confident | 112 Ų | 112 | 60.5 Ų | 60.5 | 49% | 0.487 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -53.5 | -47.3 | 173.9 | -176.5 | 175.3 | 177.6 | 175.7 | 0 | 111.2 | P323 S326 A327 I332 I333 D334 | P323-K330 HydrophobicContact CB-CB 3.94Å; P323-K330 HydrophobicContact CB-CG 4.44Å; S326-K330 PolarHBondContact O-N 3.16Å; A327-K330 PolarHBondContact O-N 3.31Å; K330-I332 VanDerWaalsContact C-N 3.32Å; K330-I332 PolarHBondContact O-N 3.21Å; K330-I333 PolarHBondContact O-N 3.39Å; K330-D334 WeakPolarHBondContact O-CB 3.13Å; K330-D334 VanDerWaalsContact O-CG 3.23Å; K330-D334 PolarHBondContact O-N 2.85Å |
| 331 | K | 96.1 | Very high | 87.4 | Confident | 52 Ų | 52 | 70 Ų | 70 | 23% | 0.226 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58.8 | -41.4 | 176.9 | -174.5 | 68.1 | 178.5 | -178 | 0 | 112.6 | I263 E303 F305 A327 I328 L329 L335 | I263-K331 HydrophobicContact CD1-CD 4.48Å; I263-K331 HydrophobicContact CD1-CG 3.79Å; E303-K331 WeakPolarHBondContact OE1-CE 3.4Å; E303-K331 IonicContact OE1-NZ 2.86Å; E303-K331 PolarHBondContact OE1-NZ 3.39Å; E303-K331 WeakPolarHBondContact OE2-CE 3.46Å; E303-K331 IonicContact OE2-NZ 2.72Å; E303-K331 PolarHBondContact OE2-NZ 2.93Å; F305-K331 HydrophobicContact CD2-CD 4.18Å; F305-K331 HydrophobicContact CD2-CG 4.07Å; F305-K331 HydrophobicContact CE2-CB 4.1Å; F305-K331 HydrophobicContact CE2-CD 4.05Å; F305-K331 HydrophobicContact CE2-CG 4.04Å; F305-K331 HydrophobicContact CZ-CB 4.17Å; A327-K331 WeakPolarHBondContact O-CB 3.37Å; A327-K331 PolarHBondContact O-N 3.28Å; I328-K331 WeakPolarHBondContact O-CB 3.5Å; I328-K331 PolarHBondContact O-N 3.39Å; L329-K331 VanDerWaalsContact C-N 3.26Å; L329-K331 PolarHBondContact O-N 3.5Å; K331-L335 VanDerWaalsContact O-CB 3.32Å; K331-L335 WeakPolarHBondContact O-CB 3.28Å; K331-L335 PolarHBondContact O-N 3.33Å |
| 332 | I | 96.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.3 | -45.7 | 176.1 | -63.8 | 160.7 | 0 | 0 | 0 | 111 | W117 F176 V210 I328 L329 K330 L335 I336 | W117-I332 HydrophobicContact CH2-CD1 4.04Å; W117-I332 HydrophobicContact CZ3-CD1 4.01Å; F176-I332 HydrophobicContact CD2-CD1 3.46Å; F176-I332 VanDerWaalsContact CD2-CD1 3.46Å; F176-I332 HydrophobicContact CD2-CG1 4.35Å; F176-I332 HydrophobicContact CE2-CD1 3.46Å; F176-I332 VanDerWaalsContact CE2-CD1 3.46Å; V210-I332 HydrophobicContact CG1-CD1 4.36Å; V210-I332 HydrophobicContact CG1-CG1 4.2Å; V210-I332 HydrophobicContact CG2-CG1 4.22Å; I328-I332 HydrophobicContact CG1-CD1 4.3Å; I328-I332 VanDerWaalsContact O-CG1 3.24Å; I328-I332 WeakPolarHBondContact O-CG1 3.48Å; I328-I332 PolarHBondContact O-N 2.99Å; L329-I332 WeakPolarHBondContact O-CB 3.42Å; L329-I332 PolarHBondContact O-N 3.39Å; L329-I332 VanDerWaalsContact O-N 3.08Å; K330-I332 VanDerWaalsContact C-N 3.32Å; K330-I332 PolarHBondContact O-N 3.21Å; I332-L335 WeakPolarHBondContact O-CB 3.45Å; I332-L335 PolarHBondContact O-N 3.35Å; I332-I336 WeakPolarHBondContact O-CG1 3.32Å; I332-I336 PolarHBondContact O-N 2.87Å |
| 333 | I | 96.1 | Very high | 86.8 | Confident | 16 Ų | 16 | 72.7 Ų | 72.7 | 8% | 0.082 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.1 | -44.1 | 179.3 | -64.5 | -46.9 | 0 | 0 | 0 | 110.7 | A124 L329 K330 L335 I336 N337 | A124-I333 HydrophobicContact CB-CD1 3.57Å; A124-I333 HydrophobicContact CB-CG1 4.36Å; A124-I333 HydrophobicContact CB-CG2 4.02Å; L329-I333 HydrophobicContact CD1-CD1 4.09Å; L329-I333 HydrophobicContact CD1-CG1 3.97Å; L329-I333 HydrophobicContact CG-CG1 4.25Å; L329-I333 WeakPolarHBondContact O-CG1 3.38Å; L329-I333 PolarHBondContact O-N 3.01Å; K330-I333 PolarHBondContact O-N 3.39Å; I333-L335 VanDerWaalsContact C-N 3.28Å; I333-L335 PolarHBondContact O-N 2.86Å; I333-I336 HydrophobicContact CD1-CD1 3.77Å; I333-I336 WeakPolarHBondContact O-CG1 3.07Å; I333-I336 PolarHBondContact O-N 3.35Å; I333-N337 WeakPolarHBondContact CG2-ND2 3.33Å; I333-N337 VanDerWaalsContact O-CB 3.28Å; I333-N337 WeakPolarHBondContact O-CB 3.43Å; I333-N337 VanDerWaalsContact O-CG 3.3Å; I333-N337 PolarHBondContact O-N 3.16Å; I333-N337 PolarHBondContact O-ND2 3.3Å |
| 334 | D | 94.7 | Very high | 86.4 | Confident | 87 Ų | 87 | 74 Ų | 74 | 47% | 0.465 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.9 | -41.3 | 175.4 | -68.6 | -19.3 | 0 | 0 | 0 | 110.8 | K330 L338 | K330-D334 WeakPolarHBondContact O-CB 3.13Å; K330-D334 VanDerWaalsContact O-CG 3.23Å; K330-D334 PolarHBondContact O-N 2.85Å; D334-L338 WeakPolarHBondContact O-CG 3.35Å; D334-L338 PolarHBondContact O-N 3Å |
| 335 | L | 92.9 | Very high | 86 | Confident | 15 Ų | 15 | 69.5 Ų | 69.5 | 8% | 0.079 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.5 | -44.2 | 178.9 | -177.1 | 68.1 | 0 | 0 | 0 | 113.1 | N208 V210 I263 K331 I332 I333 L338 | N208-L335 HydrophobicContact CB-CD2 3.66Å; N208-L335 HydrophobicContact CB-CG 4.39Å; V210-L335 HydrophobicContact CG2-CD2 4.37Å; I263-L335 HydrophobicContact CD1-CD2 3.84Å; K331-L335 VanDerWaalsContact O-CB 3.32Å; K331-L335 WeakPolarHBondContact O-CB 3.28Å; K331-L335 PolarHBondContact O-N 3.33Å; I332-L335 WeakPolarHBondContact O-CB 3.45Å; I332-L335 PolarHBondContact O-N 3.35Å; I333-L335 VanDerWaalsContact C-N 3.28Å; I333-L335 PolarHBondContact O-N 2.86Å; L335-L338 HydrophobicContact CD1-CD1 4.23Å |
| 336 | I | 89.6 | Confident | 85.7 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -76.7 | -26.3 | -178.3 | 65.7 | -174.4 | 0 | 0 | 0 | 112.9 | N96 V98 S126 R172 T174 I332 I333 L338 | N96-I336 HydrophobicContact CB-CB 4.38Å; N96-I336 PolarHBondContact ND2-O 2.86Å; N96-I336 PolarHBondContact OD1-O 3.4Å; V98-I336 HydrophobicContact CG2-CD1 4.04Å; V98-I336 HydrophobicContact CG2-CG2 4.19Å; S126-I336 WeakPolarHBondContact OG-CD1 3.32Å; R172-I336 PolarHBondContact NH2-O 2.59Å; R172-I336 VanDerWaalsContact NH2-O 3.11Å; T174-I336 WeakPolarHBondContact OG1-CG2 3.37Å; I332-I336 WeakPolarHBondContact O-CG1 3.32Å; I332-I336 PolarHBondContact O-N 2.87Å; I333-I336 HydrophobicContact CD1-CD1 3.77Å; I333-I336 WeakPolarHBondContact O-CG1 3.07Å; I333-I336 PolarHBondContact O-N 3.35Å; I336-L338 VanDerWaalsContact C-N 3.29Å; I336-L338 PolarHBondContact O-N 3.41Å |
| 337 | N | 86.1 | Confident | 85 | Confident | 87 Ų | 87 | 70.4 Ų | 70.4 | 47% | 0.465 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -6.2 | 177.2 | -74.9 | -19 | 0 | 0 | 0 | 114 | I333 K339 | I333-N337 WeakPolarHBondContact CG2-ND2 3.33Å; I333-N337 VanDerWaalsContact O-CB 3.28Å; I333-N337 WeakPolarHBondContact O-CB 3.43Å; I333-N337 VanDerWaalsContact O-CG 3.3Å; I333-N337 PolarHBondContact O-N 3.16Å; I333-N337 PolarHBondContact O-ND2 3.3Å; N337-K339 PolarHBondContact O-N 3.14Å; N337-K339 VanDerWaalsContact O-N 3.16Å |
| 338 | L | 74.8 | Confident | 84.3 | Confident | 110 Ų | 110 | 71.1 Ų | 71.1 | 58% | 0.576 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -57.4 | 122.1 | 168.5 | -67.3 | 176.2 | 0 | 0 | 0 | 109.1 | R172 D334 L335 I336 | R172-L338 PolarHBondContact NH2-O 3.21Å; D334-L338 WeakPolarHBondContact O-CG 3.35Å; D334-L338 PolarHBondContact O-N 3Å; L335-L338 HydrophobicContact CD1-CD1 4.23Å; I336-L338 VanDerWaalsContact C-N 3.29Å; I336-L338 PolarHBondContact O-N 3.41Å |
| 339 | K | 60.6 | Low | 83.4 | Confident | 188 Ų | 188 | 76.5 Ų | 76.5 | 82% | 0.817 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 139.1 | 173.9 | -68.1 | -172.8 | -175.9 | -176.2 | 0 | 108.6 | N337 I341 | N337-K339 PolarHBondContact O-N 3.14Å; N337-K339 VanDerWaalsContact O-N 3.16Å; K339-I341 PolarHBondContact O-N 2.71Å |
| 340 | P | 55.8 | Low | 82.2 | Confident | 87 Ų | 87 | 82.8 Ų | 82.8 | 57% | 0.565 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -56.7 | 137.1 | 170.5 | 22 | -28 | 0 | 0 | 0 | 109.2 | ||
| 341 | I | 47 | Very low | 80.9 | Confident | 240 Ų | 240 | 80.2 Ų | 80.2 | 100% | 1.231 | 41% | 0.41 | S | S | * | . | trans | -62 | 0 | 178.3 | -61.7 | 174.4 | 0 | 0 | 0 | 110 | K339 | K339-I341 PolarHBondContact O-N 2.71Š|
Retrieved 341 of 341 residues in 79.6 ms
(Link to these results)