| 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 | 44.4 | Very low | 69.7 | Low | 240 Ų | 240 | 105.4 Ų | 105.4 | 100% | 1.182 | 58% | 0.575 | S | S | * | * | 0 | 121.4 | 0 | -84.6 | 170.5 | 176.9 | 0 | 0 | 109 | |||||
| 2 | A | 50.5 | Low | 70.9 | Confident | 77 Ų | 77 | 112.2 Ų | 112.2 | 64% | 0.636 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 134 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | T4 | A2-T4 PolarHBondContact O-N 3.21Š|
| 3 | P | 60.3 | Low | 72.1 | Confident | 48 Ų | 48 | 107.1 Ų | 107.1 | 31% | 0.312 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -57.2 | 136.4 | 175.5 | 20.3 | -28.8 | 0 | 0 | 0 | 109 | L7 R8 | P3-L7 HydrophobicContact CB-CB 4Å; P3-L7 HydrophobicContact CB-CD2 3.51Å; P3-L7 HydrophobicContact CB-CG 3.86Å; P3-R8 HydrophobicContact CB-CG 4.23Å; P3-R8 HydrophobicContact CG-CG 3.81Å |
| 4 | T | 73.6 | Confident | 73.5 | Confident | 96 Ų | 96 | 107.2 Ų | 107.2 | 59% | 0.589 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 149.5 | 177.4 | 56.1 | 0 | 0 | 0 | 0 | 109.6 | A2 V6 L7 R8 | A2-T4 PolarHBondContact O-N 3.21Å; T4-V6 PolarHBondContact O-N 2.97Å; T4-L7 WeakPolarHBondContact O-CA 3.46Å; T4-L7 WeakPolarHBondContact O-CB 3.23Å; T4-L7 PolarHBondContact O-N 3.43Å; T4-R8 PolarHBondContact O-N 2.89Å; T4-R8 VanDerWaalsContact O-N 3.14Å |
| 5 | H | 72.3 | Confident | 74.7 | Confident | 152 Ų | 152 | 102.5 Ų | 102.5 | 70% | 0.704 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -49 | -37.7 | -179.5 | -179.1 | -93.6 | 0 | 0 | 0 | 112.3 | R8 C9 | H5-R8 PolarHBondContact O-N 3.42Å; H5-C9 PolarHBondContact O-N 2.88Å |
| 6 | V | 73.9 | Confident | 76.1 | Confident | 100 Ų | 100 | 102 Ų | 102 | 61% | 0.606 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -59.7 | -47.3 | 174.2 | -178.3 | 0 | 0 | 0 | 0 | 112.1 | T4 R8 C9 C10 | T4-V6 PolarHBondContact O-N 2.97Å; V6-R8 VanDerWaalsContact C-N 3.33Å; V6-R8 PolarHBondContact O-N 2.96Å; V6-C9 PolarHBondContact O-N 3.19Å; V6-C10 PolarHBondContact O-N 3.34Å; V6-C10 PolarHBondContact O-SG 2.9Å; V6-C10 VanDerWaalsContact O-SG 3.34Å |
| 7 | L | 77.7 | Confident | 77.4 | Confident | 83 Ų | 83 | 101.8 Ų | 101.8 | 44% | 0.435 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.4 | -36.7 | 179.6 | -175.5 | 59 | 0 | 0 | 0 | 111.9 | P3 T4 C10 Q11 | P3-L7 HydrophobicContact CB-CB 4Å; P3-L7 HydrophobicContact CB-CD2 3.51Å; P3-L7 HydrophobicContact CB-CG 3.86Å; T4-L7 WeakPolarHBondContact O-CA 3.46Å; T4-L7 WeakPolarHBondContact O-CB 3.23Å; T4-L7 PolarHBondContact O-N 3.43Å; L7-C10 PolarHBondContact O-N 3.24Å; L7-Q11 WeakPolarHBondContact O-CB 3.43Å; L7-Q11 VanDerWaalsContact O-CG 3.23Å; L7-Q11 WeakPolarHBondContact O-CG 3.36Å; L7-Q11 PolarHBondContact O-N 3.09Å |
| 8 | R | 74.6 | Confident | 78.5 | Confident | 124 Ų | 124 | 97.9 Ų | 97.9 | 47% | 0.468 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67 | -40 | 173.3 | -69.3 | -177 | 176.1 | -178.7 | -3.8 | 112.5 | P3 T4 H5 V6 Q11 R12 | P3-R8 HydrophobicContact CB-CG 4.23Å; P3-R8 HydrophobicContact CG-CG 3.81Å; T4-R8 PolarHBondContact O-N 2.89Å; T4-R8 VanDerWaalsContact O-N 3.14Å; H5-R8 PolarHBondContact O-N 3.42Å; V6-R8 VanDerWaalsContact C-N 3.33Å; V6-R8 PolarHBondContact O-N 2.96Å; R8-Q11 PolarHBondContact O-N 3.32Å; R8-R12 WeakPolarHBondContact O-CG 3.49Å; R8-R12 PolarHBondContact O-N 3.03Å |
| 9 | C | 74.8 | Confident | 79.5 | Confident | 65 Ų | 65 | 93.4 Ų | 93.4 | 44% | 0.439 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.6 | -45.7 | 174.1 | -87.5 | 0 | 0 | 0 | 0 | 111.8 | H5 V6 Q11 R12 G13 | H5-C9 PolarHBondContact O-N 2.88Å; V6-C9 PolarHBondContact O-N 3.19Å; C9-Q11 PolarHBondContact O-N 2.82Å; C9-R12 PolarHBondContact O-N 3.39Å; C9-G13 PolarHBondContact O-N 3.43Å |
| 10 | C | 82.6 | Confident | 80.5 | Confident | 68 Ų | 68 | 93.5 Ų | 93.5 | 46% | 0.459 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.6 | -45.6 | 175.7 | -67.5 | 0 | 0 | 0 | 0 | 111.6 | V6 L7 R12 G13 L14 | V6-C10 PolarHBondContact O-N 3.34Å; V6-C10 PolarHBondContact O-SG 2.9Å; V6-C10 VanDerWaalsContact O-SG 3.34Å; L7-C10 PolarHBondContact O-N 3.24Å; C10-R12 VanDerWaalsContact C-N 3.33Å; C10-R12 PolarHBondContact O-N 3.11Å; C10-G13 PolarHBondContact O-N 3.4Å; C10-G13 VanDerWaalsContact O-N 3.16Å; C10-L14 VanDerWaalsContact O-CG 3.32Å; C10-L14 WeakPolarHBondContact O-CG 3.45Å; C10-L14 PolarHBondContact O-N 2.84Å |
| 11 | Q | 82.3 | Confident | 81.3 | Confident | 106 Ų | 106 | 94 Ų | 94 | 50% | 0.495 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.4 | -42 | 176.3 | -76.1 | 172.3 | -17.1 | 0 | 0 | 112.4 | L7 R8 C9 G13 L14 A15 | L7-Q11 WeakPolarHBondContact O-CB 3.43Å; L7-Q11 VanDerWaalsContact O-CG 3.23Å; L7-Q11 WeakPolarHBondContact O-CG 3.36Å; L7-Q11 PolarHBondContact O-N 3.09Å; R8-Q11 PolarHBondContact O-N 3.32Å; C9-Q11 PolarHBondContact O-N 2.82Å; Q11-G13 VanDerWaalsContact C-N 3.34Å; Q11-G13 PolarHBondContact O-N 3.5Å; Q11-L14 PolarHBondContact O-N 3.38Å; Q11-A15 WeakPolarHBondContact O-CB 3.4Å; Q11-A15 PolarHBondContact O-N 2.8Å |
| 12 | R | 83.6 | Confident | 83.9 | Confident | 187 Ų | 187 | 83.3 Ų | 83.3 | 71% | 0.706 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -63.1 | -38.6 | 175.1 | -77 | 178.4 | 175.8 | 176.8 | -0.9 | 112.7 | R8 C9 C10 W16 | R8-R12 WeakPolarHBondContact O-CG 3.49Å; R8-R12 PolarHBondContact O-N 3.03Å; C9-R12 PolarHBondContact O-N 3.39Å; C10-R12 VanDerWaalsContact C-N 3.33Å; C10-R12 PolarHBondContact O-N 3.11Å; R12-W16 VanDerWaalsContact O-CD1 3.24Å |
| 13 | G | 86.1 | Confident | 86.1 | Confident | 46 Ų | 46 | 81.7 Ų | 81.7 | 47% | 0.474 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -66.2 | -49.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | C9 C10 Q11 A15 W16 | C9-G13 PolarHBondContact O-N 3.43Å; C10-G13 PolarHBondContact O-N 3.4Å; C10-G13 VanDerWaalsContact O-N 3.16Å; Q11-G13 VanDerWaalsContact C-N 3.34Å; Q11-G13 PolarHBondContact O-N 3.5Å; G13-A15 PolarHBondContact O-N 3.02Å; G13-W16 PolarHBondContact O-N 3.14Å; G13-W16 VanDerWaalsContact O-N 3.16Å |
| 14 | L | 91.9 | Very high | 87.9 | Confident | 109 Ų | 109 | 85 Ų | 85 | 57% | 0.571 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -62.8 | -30.4 | 180 | -66.8 | 175.1 | 0 | 0 | 0 | 112.8 | C10 Q11 W16 I17 | C10-L14 VanDerWaalsContact O-CG 3.32Å; C10-L14 WeakPolarHBondContact O-CG 3.45Å; C10-L14 PolarHBondContact O-N 2.84Å; Q11-L14 PolarHBondContact O-N 3.38Å; L14-W16 PolarHBondContact O-N 3.05Å; L14-W16 VanDerWaalsContact O-N 3.17Å; L14-I17 HydrophobicContact CB-CD1 4.29Å; L14-I17 HydrophobicContact CD2-CD1 3.51Å; L14-I17 WeakPolarHBondContact O-CB 2.86Å; L14-I17 WeakPolarHBondContact O-CG1 3.46Å; L14-I17 PolarHBondContact O-N 3.36Å |
| 15 | A | 92.4 | Very high | 89.1 | Confident | 36 Ų | 36 | 81.9 Ų | 81.9 | 30% | 0.298 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -19 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q11 G13 P18 N157 | Q11-A15 WeakPolarHBondContact O-CB 3.4Å; Q11-A15 PolarHBondContact O-N 2.8Å; G13-A15 PolarHBondContact O-N 3.02Å; A15-P18 WeakPolarHBondContact O-CD 3.44Å; A15-N157 VanDerWaalsContact CB-OD1 3.3Å; A15-N157 WeakPolarHBondContact CB-OD1 3.3Å; A15-N157 VanDerWaalsContact O-CG 3.28Å; A15-N157 PolarHBondContact O-OD1 3.37Å |
| 16 | W | 97 | Very high | 90.3 | Very high | 95 Ų | 95 | 75.4 Ų | 75.4 | 36% | 0.36 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -12.1 | 174.7 | -74.2 | 99.1 | 0 | 0 | 0 | 114.2 | R12 G13 L14 V19 I20 I70 F71 N157 | R12-W16 VanDerWaalsContact O-CD1 3.24Å; G13-W16 PolarHBondContact O-N 3.14Å; G13-W16 VanDerWaalsContact O-N 3.16Å; L14-W16 PolarHBondContact O-N 3.05Å; L14-W16 VanDerWaalsContact O-N 3.17Å; W16-V19 HydrophobicContact CE3-CB 3.95Å; W16-V19 HydrophobicContact CE3-CG1 3.97Å; W16-V19 HydrophobicContact CE3-CG2 4.16Å; W16-V19 HydrophobicContact CZ3-CB 4.4Å; W16-V19 HydrophobicContact CZ3-CG1 4.03Å; W16-V19 HydrophobicContact CZ3-CG2 4.4Å; W16-V19 PolarHBondContact O-N 2.94Å; W16-V19 VanDerWaalsContact O-N 3.1Å; W16-I20 HydrophobicContact CB-CD1 4.13Å; W16-I20 WeakPolarHBondContact O-CG1 3.48Å; W16-I20 PolarHBondContact O-N 3.28Å; W16-I70 HydrophobicContact CH2-CG2 3.92Å; W16-I70 HydrophobicContact CZ3-CG2 3.89Å; W16-F71 AromaticContact CH2-CE1 3.86Å; W16-F71 HydrophobicContact CH2-CE1 3.86Å; W16-F71 HydrophobicContact CH2-CZ 4.24Å; W16-F71 HydrophobicContact CZ3-CE1 4.47Å; W16-F71 HydrophobicContact CZ3-CZ 4.42Å; W16-N157 HydrophobicContact CE3-CB 4.41Å; W16-N157 PolarHBondContact NE1-ND2 3.27Å |
| 17 | I | 97.4 | Very high | 91.5 | Very high | 99 Ų | 99 | 74.7 Ų | 74.7 | 51% | 0.508 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -53.7 | -47.6 | -178.4 | -69.6 | 171.9 | 0 | 0 | 0 | 112.2 | L14 V19 I20 F21 | L14-I17 HydrophobicContact CB-CD1 4.29Å; L14-I17 HydrophobicContact CD2-CD1 3.51Å; L14-I17 WeakPolarHBondContact O-CB 2.86Å; L14-I17 WeakPolarHBondContact O-CG1 3.46Å; L14-I17 PolarHBondContact O-N 3.36Å; I17-V19 VanDerWaalsContact C-N 3.31Å; I17-V19 PolarHBondContact O-N 2.78Å; I17-I20 PolarHBondContact O-N 3.37Å; I17-F21 WeakPolarHBondContact O-CB 3.38Å; I17-F21 PolarHBondContact O-N 2.81Å |
| 18 | P | 97.8 | Very high | 92.5 | Very high | 31 Ų | 31 | 73.4 Ų | 73.4 | 20% | 0.201 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.8 | -37.5 | 179.4 | -22.3 | 34.3 | 0 | 0 | 0 | 112.9 | A15 F21 I22 P154 W155 | A15-P18 WeakPolarHBondContact O-CD 3.44Å; P18-F21 PolarHBondContact O-N 3.1Å; P18-I22 WeakPolarHBondContact O-CG1 3.37Å; P18-I22 PolarHBondContact O-N 3.49Å; P18-P154 WeakPolarHBondContact CB-O 3.32Å; P18-P154 HydrophobicContact CG-CB 4.3Å; P18-W155 HydrophobicContact CB-CE3 3.91Å; P18-W155 HydrophobicContact CB-CZ3 4.31Å |
| 19 | V | 98.1 | Very high | 93.6 | Very high | 13 Ų | 13 | 67.8 Ų | 67.8 | 8% | 0.079 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.8 | -44.9 | 178.2 | 176.9 | 0 | 0 | 0 | 0 | 110.9 | W16 I17 F21 I22 A23 I70 N157 | W16-V19 HydrophobicContact CE3-CB 3.95Å; W16-V19 HydrophobicContact CE3-CG1 3.97Å; W16-V19 HydrophobicContact CE3-CG2 4.16Å; W16-V19 HydrophobicContact CZ3-CB 4.4Å; W16-V19 HydrophobicContact CZ3-CG1 4.03Å; W16-V19 HydrophobicContact CZ3-CG2 4.4Å; W16-V19 PolarHBondContact O-N 2.94Å; W16-V19 VanDerWaalsContact O-N 3.1Å; I17-V19 VanDerWaalsContact C-N 3.31Å; I17-V19 PolarHBondContact O-N 2.78Å; V19-F21 VanDerWaalsContact C-N 3.31Å; V19-F21 PolarHBondContact O-N 3.42Å; V19-I22 PolarHBondContact O-N 2.78Å; V19-A23 WeakPolarHBondContact O-CB 3.41Å; V19-A23 PolarHBondContact O-N 3.01Å; V19-I70 HydrophobicContact CG1-CD1 3.82Å; V19-N157 HydrophobicContact CG2-CB 3.66Å |
| 20 | I | 98.3 | Very high | 94.7 | Very high | 94 Ų | 94 | 68.3 Ų | 68.3 | 48% | 0.482 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.6 | -43.3 | 176.3 | -67.2 | 167.2 | 0 | 0 | 0 | 110 | W16 I17 I22 A23 L24 | W16-I20 HydrophobicContact CB-CD1 4.13Å; W16-I20 WeakPolarHBondContact O-CG1 3.48Å; W16-I20 PolarHBondContact O-N 3.28Å; I17-I20 PolarHBondContact O-N 3.37Å; I20-I22 PolarHBondContact O-N 3.24Å; I20-A23 PolarHBondContact O-N 3.2Å; I20-L24 HydrophobicContact CG2-CD1 4Å; I20-L24 HydrophobicContact CG2-CG 4.32Å; I20-L24 VanDerWaalsContact O-CG 3.29Å; I20-L24 WeakPolarHBondContact O-CG 3.13Å; I20-L24 PolarHBondContact O-N 3.37Å |
| 21 | F | 98.1 | Very high | 95.4 | Very high | 104 Ų | 104 | 69.4 Ų | 69.4 | 46% | 0.456 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -57.7 | -50 | 176.2 | 172.3 | -97.9 | 0 | 0 | 0 | 112 | I17 P18 V19 A23 L24 V25 W155 | I17-F21 WeakPolarHBondContact O-CB 3.38Å; I17-F21 PolarHBondContact O-N 2.81Å; P18-F21 PolarHBondContact O-N 3.1Å; V19-F21 VanDerWaalsContact C-N 3.31Å; V19-F21 PolarHBondContact O-N 3.42Å; F21-A23 VanDerWaalsContact C-N 3.34Å; F21-A23 PolarHBondContact O-N 3.36Å; F21-L24 PolarHBondContact O-N 2.71Å; F21-V25 HydrophobicContact CE1-CG2 4.12Å; F21-V25 HydrophobicContact CE2-CG2 4.11Å; F21-V25 HydrophobicContact CZ-CG2 3.89Å; F21-V25 WeakPolarHBondContact O-CG2 3.39Å; F21-V25 PolarHBondContact O-N 2.92Å; F21-W155 HydrophobicContact CD1-CZ3 4.04Å; F21-W155 HydrophobicContact CE1-CZ3 4.38Å |
| 22 | I | 97.9 | Very high | 96 | Very high | 17 Ų | 17 | 64.3 Ų | 64.3 | 9% | 0.087 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.3 | -43.5 | 177 | -66 | -66.1 | 0 | 0 | 0 | 110.8 | P18 V19 I20 L24 V25 V26 Y66 W155 F228 | P18-I22 WeakPolarHBondContact O-CG1 3.37Å; P18-I22 PolarHBondContact O-N 3.49Å; V19-I22 PolarHBondContact O-N 2.78Å; I20-I22 PolarHBondContact O-N 3.24Å; I22-L24 VanDerWaalsContact C-N 3.33Å; I22-L24 PolarHBondContact O-N 2.84Å; I22-V25 PolarHBondContact O-N 2.9Å; I22-V26 HydrophobicContact CG2-CG2 4.15Å; I22-V26 WeakPolarHBondContact O-CB 3.25Å; I22-V26 WeakPolarHBondContact O-CG2 3.46Å; I22-V26 PolarHBondContact O-N 3.4Å; I22-Y66 HydrophobicContact CG2-CE1 3.88Å; I22-Y66 HydrophobicContact CG2-CE2 4.44Å; I22-W155 HydrophobicContact CD1-CE3 3.92Å; I22-W155 HydrophobicContact CD1-CZ3 4.11Å; I22-W155 HydrophobicContact CG1-CE3 3.79Å; I22-W155 HydrophobicContact CG1-CZ3 4.27Å; I22-F228 HydrophobicContact CD1-CE1 4.14Å; I22-F228 HydrophobicContact CD1-CZ 4.15Å |
| 23 | A | 98.1 | Very high | 96.7 | Very high | 43 Ų | 43 | 55.4 Ų | 55.4 | 36% | 0.355 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.4 | -42.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V19 I20 F21 V26 C27 | V19-A23 WeakPolarHBondContact O-CB 3.41Å; V19-A23 PolarHBondContact O-N 3.01Å; I20-A23 PolarHBondContact O-N 3.2Å; F21-A23 VanDerWaalsContact C-N 3.34Å; F21-A23 PolarHBondContact O-N 3.36Å; A23-V26 PolarHBondContact O-N 3.19Å; A23-C27 WeakPolarHBondContact O-CB 3.36Å; A23-C27 PolarHBondContact O-N 2.98Å; A23-C27 PolarHBondContact O-SG 3.16Å |
| 24 | L | 98.4 | Very high | 97.2 | Very high | 117 Ų | 117 | 54 Ų | 54 | 61% | 0.613 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -63.6 | -44.8 | 176.5 | -70.7 | 172.4 | 0 | 0 | 0 | 112 | I20 F21 I22 V26 C27 W28 | I20-L24 HydrophobicContact CG2-CD1 4Å; I20-L24 HydrophobicContact CG2-CG 4.32Å; I20-L24 VanDerWaalsContact O-CG 3.29Å; I20-L24 WeakPolarHBondContact O-CG 3.13Å; I20-L24 PolarHBondContact O-N 3.37Å; F21-L24 PolarHBondContact O-N 2.71Å; I22-L24 VanDerWaalsContact C-N 3.33Å; I22-L24 PolarHBondContact O-N 2.84Å; L24-V26 VanDerWaalsContact C-N 3.34Å; L24-V26 PolarHBondContact O-N 2.98Å; L24-C27 PolarHBondContact O-N 3.34Å; L24-W28 VanDerWaalsContact O-CB 3.32Å; L24-W28 WeakPolarHBondContact O-CB 3.48Å; L24-W28 PolarHBondContact O-N 3.21Å |
| 25 | V | 97.9 | Very high | 97.4 | Very high | 31 Ų | 31 | 50.5 Ų | 50.5 | 19% | 0.188 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.2 | -43 | 176.6 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | F21 I22 W28 S29 V224 F228 | F21-V25 HydrophobicContact CE1-CG2 4.12Å; F21-V25 HydrophobicContact CE2-CG2 4.11Å; F21-V25 HydrophobicContact CZ-CG2 3.89Å; F21-V25 WeakPolarHBondContact O-CG2 3.39Å; F21-V25 PolarHBondContact O-N 2.92Å; I22-V25 PolarHBondContact O-N 2.9Å; V25-W28 PolarHBondContact O-N 3.16Å; V25-S29 WeakPolarHBondContact O-CB 3.34Å; V25-S29 PolarHBondContact O-N 3.11Å; V25-S29 PolarHBondContact O-OG 3.36Å; V25-V224 HydrophobicContact CG1-CG1 4.02Å; V25-F228 HydrophobicContact CG1-CE2 4.34Å |
| 26 | V | 98 | Very high | 97.4 | Very high | 16 Ų | 16 | 48.9 Ų | 48.9 | 10% | 0.097 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.9 | -48.3 | 178.6 | 169.2 | 0 | 0 | 0 | 0 | 110.9 | I22 A23 L24 W28 S29 Y30 F59 F62 | I22-V26 HydrophobicContact CG2-CG2 4.15Å; I22-V26 WeakPolarHBondContact O-CB 3.25Å; I22-V26 WeakPolarHBondContact O-CG2 3.46Å; I22-V26 PolarHBondContact O-N 3.4Å; A23-V26 PolarHBondContact O-N 3.19Å; L24-V26 VanDerWaalsContact C-N 3.34Å; L24-V26 PolarHBondContact O-N 2.98Å; V26-W28 VanDerWaalsContact C-N 3.34Å; V26-W28 PolarHBondContact O-N 3.16Å; V26-S29 WeakPolarHBondContact CA-OG 3.23Å; V26-S29 PolarHBondContact O-N 3.5Å; V26-S29 VanDerWaalsContact O-N 3.16Å; V26-S29 PolarHBondContact O-OG 3.04Å; V26-Y30 PolarHBondContact O-N 3.31Å; V26-F59 HydrophobicContact CG1-CD2 4.44Å; V26-F59 HydrophobicContact CG1-CE2 3.61Å; V26-F59 HydrophobicContact CG1-CZ 4.36Å; V26-F62 HydrophobicContact CB-CE1 4.27Å; V26-F62 HydrophobicContact CG1-CD1 4.42Å; V26-F62 HydrophobicContact CG1-CE1 3.79Å; V26-F62 HydrophobicContact CG2-CE1 3.44Å; V26-F62 VanDerWaalsContact CG2-CE1 3.44Å; V26-F62 HydrophobicContact CG2-CZ 3.6Å |
| 27 | C | 98.3 | Very high | 97.1 | Very high | 85 Ų | 85 | 44.3 Ų | 44.3 | 57% | 0.574 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -59.7 | -44.2 | 176.8 | -72.7 | 0 | 0 | 0 | 0 | 111.9 | A23 L24 Y30 Y31 | A23-C27 WeakPolarHBondContact O-CB 3.36Å; A23-C27 PolarHBondContact O-N 2.98Å; A23-C27 PolarHBondContact O-SG 3.16Å; L24-C27 PolarHBondContact O-N 3.34Å; C27-Y30 PolarHBondContact O-N 3.41Å; C27-Y31 PolarHBondContact O-N 2.96Å; C27-Y31 VanDerWaalsContact O-N 3.08Å |
| 28 | W | 97.9 | Very high | 97 | Very high | 55 Ų | 55 | 39.6 Ų | 39.6 | 21% | 0.208 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.8 | -42.4 | 174.6 | 164.8 | 81.4 | 0 | 0 | 0 | 111.9 | L24 V25 V26 Y30 Y31 A32 H217 F220 L221 V224 | L24-W28 VanDerWaalsContact O-CB 3.32Å; L24-W28 WeakPolarHBondContact O-CB 3.48Å; L24-W28 PolarHBondContact O-N 3.21Å; V25-W28 PolarHBondContact O-N 3.16Å; V26-W28 VanDerWaalsContact C-N 3.34Å; V26-W28 PolarHBondContact O-N 3.16Å; W28-Y30 VanDerWaalsContact C-N 3.3Å; W28-Y30 PolarHBondContact O-N 2.84Å; W28-Y31 PolarHBondContact O-N 3.36Å; W28-A32 HydrophobicContact CZ2-CB 4.24Å; W28-A32 WeakPolarHBondContact O-CB 3.44Å; W28-A32 PolarHBondContact O-N 3.25Å; W28-H217 AromaticContact CD1-CE1 3.95Å; W28-H217 AromaticContact CD1-ND1 3.91Å; W28-H217 AromaticContact CE2-ND1 3.88Å; W28-H217 AromaticContact NE1-CE1 3.4Å; W28-H217 PolarHBondContact NE1-CE1 3.34Å; W28-H217 AromaticContact NE1-ND1 3.06Å; W28-H217 PolarHBondContact NE1-ND1 3.07Å; W28-F220 HydrophobicContact CH2-CB 4.2Å; W28-F220 AromaticContact CH2-CD1 3.26Å; W28-F220 HydrophobicContact CH2-CD1 3.26Å; W28-F220 AromaticContact CH2-CE1 3.9Å; W28-F220 HydrophobicContact CH2-CE1 3.9Å; W28-F220 HydrophobicContact CH2-CG 4.04Å; W28-F220 HydrophobicContact CZ2-CB 4.16Å; W28-F220 AromaticContact CZ2-CD1 3.35Å; W28-F220 HydrophobicContact CZ2-CD1 3.35Å; W28-F220 HydrophobicContact CZ2-CE1 4.17Å; W28-F220 HydrophobicContact CZ2-CG 4.19Å; W28-F220 HydrophobicContact CZ3-CD1 4.06Å; W28-F220 HydrophobicContact CZ3-CE1 4.26Å; W28-L221 HydrophobicContact CH2-CB 4.02Å; W28-L221 HydrophobicContact CH2-CD1 4.11Å; W28-L221 HydrophobicContact CZ3-CD1 4.08Å; W28-V224 HydrophobicContact CH2-CG2 4.34Å; W28-V224 HydrophobicContact CZ3-CB 4.27Å; W28-V224 HydrophobicContact CZ3-CG1 4.28Å; W28-V224 HydrophobicContact CZ3-CG2 4.2Å |
| 29 | S | 97.8 | Very high | 96.7 | Very high | 6 Ų | 6 | 42 Ų | 42 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.5 | -35.5 | 178.4 | 73.1 | 0 | 0 | 0 | 0 | 112.2 | V25 V26 A32 Y33 Y178 | V25-S29 WeakPolarHBondContact O-CB 3.34Å; V25-S29 PolarHBondContact O-N 3.11Å; V25-S29 PolarHBondContact O-OG 3.36Å; V26-S29 WeakPolarHBondContact CA-OG 3.23Å; V26-S29 PolarHBondContact O-N 3.5Å; V26-S29 VanDerWaalsContact O-N 3.16Å; V26-S29 PolarHBondContact O-OG 3.04Å; S29-A32 PolarHBondContact O-N 2.66Å; S29-Y33 VanDerWaalsContact O-CB 3.24Å; S29-Y33 WeakPolarHBondContact O-CB 3.36Å; S29-Y33 PolarHBondContact O-N 3.38Å; S29-Y178 PolarHBondContact OG-OH 2.83Å |
| 30 | Y | 98.4 | Very high | 96.3 | Very high | 76 Ų | 76 | 48.9 Ų | 48.9 | 30% | 0.298 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62 | -49.9 | 172.6 | -177 | -80.8 | 0 | 0 | 0 | 110.9 | V26 C27 W28 Y33 V34 F55 H56 F59 | V26-Y30 PolarHBondContact O-N 3.31Å; C27-Y30 PolarHBondContact O-N 3.41Å; W28-Y30 VanDerWaalsContact C-N 3.3Å; W28-Y30 PolarHBondContact O-N 2.84Å; Y30-Y33 PolarHBondContact O-N 3.41Å; Y30-V34 HydrophobicContact CD1-CG2 4.23Å; Y30-V34 HydrophobicContact CD2-CG2 4.29Å; Y30-V34 HydrophobicContact CE1-CB 4.28Å; Y30-V34 HydrophobicContact CE1-CG2 3.97Å; Y30-V34 HydrophobicContact CE2-CG2 4Å; Y30-V34 HydrophobicContact CG-CG2 4.37Å; Y30-V34 VanDerWaalsContact O-CB 3.3Å; Y30-V34 WeakPolarHBondContact O-CB 3.34Å; Y30-V34 WeakPolarHBondContact O-CG2 3.44Å; Y30-V34 PolarHBondContact O-N 3.3Å; Y30-F55 AromaticContact CD2-CE1 3.52Å; Y30-F55 HydrophobicContact CD2-CE1 3.52Å; Y30-F55 HydrophobicContact CD2-CZ 4.19Å; Y30-F55 AromaticContact CE2-CE1 3.87Å; Y30-F55 HydrophobicContact CE2-CE1 3.87Å; Y30-F55 HydrophobicContact CG-CE1 4.24Å; Y30-H56 AromaticContact CE2-NE2 3.63Å; Y30-H56 AromaticContact CZ-NE2 3.56Å; Y30-H56 PolarHBondContact OH-NE2 3.39Å; Y30-F59 HydrophobicContact CD2-CD1 4.09Å; Y30-F59 AromaticContact CD2-CD2 3.91Å; Y30-F59 HydrophobicContact CD2-CD2 3.91Å; Y30-F59 AromaticContact CD2-CE1 3.91Å; Y30-F59 HydrophobicContact CD2-CE1 3.91Å; Y30-F59 AromaticContact CD2-CE2 3.71Å; Y30-F59 HydrophobicContact CD2-CE2 3.71Å; Y30-F59 HydrophobicContact CD2-CG 4.08Å; Y30-F59 AromaticContact CD2-CZ 3.72Å; Y30-F59 HydrophobicContact CD2-CZ 3.72Å; Y30-F59 HydrophobicContact CE2-CD1 4.22Å; Y30-F59 HydrophobicContact CE2-CE1 4.18Å; Y30-F59 HydrophobicContact CE2-CZ 4.42Å; Y30-F59 HydrophobicContact CG-CE2 4.29Å; Y30-F59 HydrophobicContact CG-CZ 4.35Å |
| 31 | Y | 97.4 | Very high | 95.8 | Very high | 91 Ų | 91 | 45.7 Ų | 45.7 | 36% | 0.357 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -57.2 | -51.3 | 174.8 | 167.6 | -94.2 | 0 | 0 | 0 | 111.6 | C27 W28 Y33 V35 E36 H217 | C27-Y31 PolarHBondContact O-N 2.96Å; C27-Y31 VanDerWaalsContact O-N 3.08Å; W28-Y31 PolarHBondContact O-N 3.36Å; Y31-Y33 VanDerWaalsContact C-N 3.35Å; Y31-Y33 PolarHBondContact O-N 2.89Å; Y31-V35 HydrophobicContact CD2-CB 4.04Å; Y31-V35 HydrophobicContact CD2-CG2 3.87Å; Y31-V35 HydrophobicContact CE2-CB 3.96Å; Y31-V35 HydrophobicContact CE2-CG1 3.97Å; Y31-V35 HydrophobicContact CE2-CG2 4.14Å; Y31-V35 WeakPolarHBondContact O-CA 3.23Å; Y31-V35 VanDerWaalsContact O-CB 3.25Å; Y31-V35 WeakPolarHBondContact O-CB 3.41Å; Y31-V35 PolarHBondContact O-N 3.49Å; Y31-E36 HydrophobicContact CD1-CG 4.4Å; Y31-E36 HydrophobicContact CE1-CG 3.65Å; Y31-E36 PolarHBondContact O-N 3.45Å; Y31-E36 PolarHBondContact OH-OE1 3.01Å; Y31-H217 AromaticContact CE1-CE1 3.76Å; Y31-H217 AromaticContact CE1-NE2 3.86Å |
| 32 | A | 96 | Very high | 95.5 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | I | π-helix | trans | -62.6 | -40.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | W28 S29 E36 L37 H217 L221 | W28-A32 HydrophobicContact CZ2-CB 4.24Å; W28-A32 WeakPolarHBondContact O-CB 3.44Å; W28-A32 PolarHBondContact O-N 3.25Å; S29-A32 PolarHBondContact O-N 2.66Å; A32-E36 WeakPolarHBondContact O-CB 3.31Å; A32-E36 PolarHBondContact O-N 2.91Å; A32-L37 PolarHBondContact O-N 3.25Å; A32-H217 HydrophobicContact CB-CB 4.05Å; A32-L221 HydrophobicContact CB-CD1 4.48Å; A32-L221 HydrophobicContact CB-CD2 4.04Å |
| 33 | Y | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -75.6 | -49.6 | -180 | -165 | -87.8 | 0 | 0 | 0 | 112.1 | S29 Y30 Y31 L37 C38 F55 F181 I182 T185 V186 L221 | S29-Y33 VanDerWaalsContact O-CB 3.24Å; S29-Y33 WeakPolarHBondContact O-CB 3.36Å; S29-Y33 PolarHBondContact O-N 3.38Å; Y30-Y33 PolarHBondContact O-N 3.41Å; Y31-Y33 VanDerWaalsContact C-N 3.35Å; Y31-Y33 PolarHBondContact O-N 2.89Å; Y33-L37 HydrophobicContact CD2-CD2 3.82Å; Y33-L37 HydrophobicContact CE2-CD2 3.6Å; Y33-L37 HydrophobicContact CG-CD2 4.46Å; Y33-L37 WeakPolarHBondContact O-CB 3.48Å; Y33-C38 VanDerWaalsContact CE1-SG 3.54Å; Y33-C38 PolarHBondContact O-N 3.32Å; Y33-C38 PolarHBondContact O-SG 2.9Å; Y33-C38 VanDerWaalsContact O-SG 3.42Å; Y33-F55 HydrophobicContact CD1-CB 4.06Å; Y33-F55 AromaticContact CD1-CD1 3.99Å; Y33-F55 HydrophobicContact CD1-CD1 3.99Å; Y33-F55 AromaticContact CD1-CD2 3.17Å; Y33-F55 HydrophobicContact CD1-CD2 3.17Å; Y33-F55 HydrophobicContact CD1-CE1 4.25Å; Y33-F55 AromaticContact CD1-CE2 3.48Å; Y33-F55 HydrophobicContact CD1-CE2 3.48Å; Y33-F55 VanDerWaalsContact CD1-CE2 3.48Å; Y33-F55 AromaticContact CD1-CG 3.45Å; Y33-F55 HydrophobicContact CD1-CG 3.45Å; Y33-F55 VanDerWaalsContact CD1-CG 3.45Å; Y33-F55 HydrophobicContact CD1-CZ 4.02Å; Y33-F55 HydrophobicContact CD2-CD2 4.21Å; Y33-F55 HydrophobicContact CD2-CE2 4.13Å; Y33-F55 HydrophobicContact CE1-CB 3.73Å; Y33-F55 AromaticContact CE1-CD2 3.43Å; Y33-F55 HydrophobicContact CE1-CD2 3.43Å; Y33-F55 VanDerWaalsContact CE1-CD2 3.43Å; Y33-F55 HydrophobicContact CE1-CE2 4.17Å; Y33-F55 AromaticContact CE1-CG 3.64Å; Y33-F55 HydrophobicContact CE1-CG 3.64Å; Y33-F55 HydrophobicContact CE2-CD2 4.41Å; Y33-F55 AromaticContact CG-CD2 3.61Å; Y33-F55 HydrophobicContact CG-CD2 3.61Å; Y33-F55 AromaticContact CG-CE2 3.45Å; Y33-F55 HydrophobicContact CG-CE2 3.45Å; Y33-F55 VanDerWaalsContact CG-CE2 3.45Å; Y33-F55 HydrophobicContact CG-CG 4.3Å; Y33-F55 HydrophobicContact CG-CZ 4.05Å; Y33-F181 HydrophobicContact CE1-CE1 4.05Å; Y33-F181 HydrophobicContact CE2-CE1 4.48Å; Y33-F181 AromaticContact CZ-CE1 3.64Å; Y33-F181 WeakPolarHBondContact OH-CE1 3.29Å; Y33-F181 WeakPolarHBondContact OH-CZ 3.18Å; Y33-I182 HydrophobicContact CD2-CB 4.49Å; Y33-I182 HydrophobicContact CD2-CG1 3.94Å; Y33-I182 HydrophobicContact CD2-CG2 4.29Å; Y33-I182 HydrophobicContact CE2-CG1 4.17Å; Y33-T185 VanDerWaalsContact CE2-OG1 3.27Å; Y33-T185 WeakPolarHBondContact CE2-OG1 3.32Å; Y33-T185 WeakPolarHBondContact OH-CB 3.43Å; Y33-T185 PolarHBondContact OH-OG1 2.97Å; Y33-V186 HydrophobicContact CD2-CG2 4.28Å; Y33-V186 HydrophobicContact CE2-CG2 4.18Å; Y33-L221 HydrophobicContact CD2-CD2 4.01Å |
| 34 | V | 97.5 | Very high | 95 | Very high | 16 Ų | 16 | 49.8 Ų | 49.8 | 10% | 0.097 | 25% | 0.252 | C | S | . | . | I | π-helix | trans | -73.3 | -50.9 | -175 | 176.4 | 0 | 0 | 0 | 0 | 110.8 | Y30 C38 L39 L52 F55 | Y30-V34 HydrophobicContact CD1-CG2 4.23Å; Y30-V34 HydrophobicContact CD2-CG2 4.29Å; Y30-V34 HydrophobicContact CE1-CB 4.28Å; Y30-V34 HydrophobicContact CE1-CG2 3.97Å; Y30-V34 HydrophobicContact CE2-CG2 4Å; Y30-V34 HydrophobicContact CG-CG2 4.37Å; Y30-V34 VanDerWaalsContact O-CB 3.3Å; Y30-V34 WeakPolarHBondContact O-CB 3.34Å; Y30-V34 WeakPolarHBondContact O-CG2 3.44Å; Y30-V34 PolarHBondContact O-N 3.3Å; V34-C38 WeakPolarHBondContact O-CB 3.41Å; V34-C38 PolarHBondContact O-N 3.23Å; V34-L39 WeakPolarHBondContact O-CG 3.41Å; V34-L39 PolarHBondContact O-N 3.5Å; V34-L52 HydrophobicContact CB-CD2 4.41Å; V34-L52 HydrophobicContact CG1-CD2 3.94Å; V34-L52 HydrophobicContact CG2-CD2 4.19Å; V34-F55 HydrophobicContact CG2-CD1 3.77Å; V34-F55 HydrophobicContact CG2-CE1 3.53Å; V34-F55 HydrophobicContact CG2-CZ 4.42Å |
| 35 | V | 95 | Very high | 94.8 | Very high | 35 Ų | 35 | 49.7 Ų | 49.7 | 21% | 0.212 | 25% | 0.249 | C | C | . | . | I | π-helix | trans | -83 | -60.7 | -172.4 | -176.2 | 0 | 0 | 0 | 0 | 110.7 | Y31 L39 Y40 | Y31-V35 HydrophobicContact CD2-CB 4.04Å; Y31-V35 HydrophobicContact CD2-CG2 3.87Å; Y31-V35 HydrophobicContact CE2-CB 3.96Å; Y31-V35 HydrophobicContact CE2-CG1 3.97Å; Y31-V35 HydrophobicContact CE2-CG2 4.14Å; Y31-V35 WeakPolarHBondContact O-CA 3.23Å; Y31-V35 VanDerWaalsContact O-CB 3.25Å; Y31-V35 WeakPolarHBondContact O-CB 3.41Å; Y31-V35 PolarHBondContact O-N 3.49Å; V35-L39 WeakPolarHBondContact O-CB 3.46Å; V35-L39 PolarHBondContact O-N 3.42Å; V35-Y40 HydrophobicContact CG1-CD2 3.94Å; V35-Y40 HydrophobicContact CG1-CE2 3.47Å; V35-Y40 VanDerWaalsContact CG1-CE2 3.47Å; V35-Y40 WeakPolarHBondContact O-CD2 3.24Å; V35-Y40 PolarHBondContact O-N 3.37Å |
| 36 | E | 92.6 | Very high | 94.7 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.009 | 26% | 0.264 | C | S | . | . | I | π-helix | trans | -71 | -42.5 | -171.6 | -61.3 | -75.8 | -169.2 | 0 | 0 | 112.2 | Y31 A32 T41 S213 A214 H217 | Y31-E36 HydrophobicContact CD1-CG 4.4Å; Y31-E36 HydrophobicContact CE1-CG 3.65Å; Y31-E36 PolarHBondContact O-N 3.45Å; Y31-E36 PolarHBondContact OH-OE1 3.01Å; A32-E36 WeakPolarHBondContact O-CB 3.31Å; A32-E36 PolarHBondContact O-N 2.91Å; E36-T41 WeakPolarHBondContact O-CB 3.31Å; E36-T41 PolarHBondContact O-N 3.32Å; E36-T41 PolarHBondContact O-OG1 2.97Å; E36-S213 PolarHBondContact OE1-OG 3.45Å; E36-A214 HydrophobicContact CB-CB 4.42Å; E36-A214 VanDerWaalsContact OE2-CA 3.25Å; E36-A214 WeakPolarHBondContact OE2-CA 3.33Å; E36-A214 VanDerWaalsContact OE2-CB 3.29Å; E36-A214 WeakPolarHBondContact OE2-CB 3.31Å; E36-A214 PolarHBondContact OE2-N 3.34Å; E36-H217 HydrophobicContact CB-CB 4.12Å; E36-H217 HydrophobicContact CG-CB 3.93Å; E36-H217 IonicContact OE1-CD2 3.57Å |
| 37 | L | 91.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | I | π-helix | trans | -82.2 | -69.8 | 177.3 | -177.3 | 72.7 | 0 | 0 | 0 | 111.6 | A32 Y33 L39 T41 I42 V186 Y189 V218 | A32-L37 PolarHBondContact O-N 3.25Å; Y33-L37 HydrophobicContact CD2-CD2 3.82Å; Y33-L37 HydrophobicContact CE2-CD2 3.6Å; Y33-L37 HydrophobicContact CG-CD2 4.46Å; Y33-L37 WeakPolarHBondContact O-CB 3.48Å; L37-L39 PolarHBondContact O-N 3.07Å; L37-T41 HydrophobicContact CD1-CG2 4.29Å; L37-T41 CarbonylContact O-C 3.57Å; L37-T41 WeakPolarHBondContact O-CA 3.43Å; L37-T41 VanDerWaalsContact O-CB 3.24Å; L37-T41 WeakPolarHBondContact O-CB 3.12Å; L37-T41 PolarHBondContact O-N 3.01Å; L37-I42 HydrophobicContact CD1-CG1 4.49Å; L37-I42 HydrophobicContact CG-CD1 4.27Å; L37-I42 HydrophobicContact CG-CG1 4.3Å; L37-I42 WeakPolarHBondContact O-CG1 3.37Å; L37-I42 PolarHBondContact O-N 3.48Å; L37-V186 HydrophobicContact CD2-CG2 3.86Å; L37-Y189 HydrophobicContact CD1-CD1 4.04Å; L37-Y189 HydrophobicContact CD1-CD2 3.59Å; L37-Y189 HydrophobicContact CD1-CE1 4.47Å; L37-Y189 HydrophobicContact CD1-CE2 4.08Å; L37-Y189 HydrophobicContact CD1-CG 3.6Å; L37-V218 HydrophobicContact CB-CG2 4.29Å; L37-V218 HydrophobicContact CD1-CG2 4.14Å |
| 38 | C | 94.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | I | π-helix | trans | -66.1 | -41.5 | -168.4 | -68.5 | 0 | 0 | 0 | 0 | 114 | Y33 V34 R48 L52 | Y33-C38 VanDerWaalsContact CE1-SG 3.54Å; Y33-C38 PolarHBondContact O-N 3.32Å; Y33-C38 PolarHBondContact O-SG 2.9Å; Y33-C38 VanDerWaalsContact O-SG 3.42Å; V34-C38 WeakPolarHBondContact O-CB 3.41Å; V34-C38 PolarHBondContact O-N 3.23Å; C38-R48 HydrophobicContact CB-CG 4.39Å; C38-R48 WeakPolarHBondContact O-CG 3.32Å; C38-R48 PolarHBondContact O-NE 2.84Å; C38-L52 HydrophobicContact CB-CD2 3.79Å; C38-L52 HydrophobicContact CB-CG 4.05Å |
| 39 | L | 92.8 | Very high | 94.5 | Very high | 82 Ų | 82 | 52.3 Ų | 52.3 | 43% | 0.429 | 27% | 0.265 | S | S | . | . | I | π-helix | trans | -84.7 | -44.8 | -177.8 | -63.6 | 179.1 | 0 | 0 | 0 | 112.9 | V34 V35 L37 R48 | V34-L39 WeakPolarHBondContact O-CG 3.41Å; V34-L39 PolarHBondContact O-N 3.5Å; V35-L39 WeakPolarHBondContact O-CB 3.46Å; V35-L39 PolarHBondContact O-N 3.42Å; L37-L39 PolarHBondContact O-N 3.07Å; L39-R48 PolarHBondContact O-NH2 3.21Å |
| 40 | Y | 90.3 | Very high | 94.5 | Very high | 157 Ų | 157 | 56.5 Ų | 56.5 | 62% | 0.616 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -30.3 | -175.5 | -67 | -42.8 | 0 | 0 | 0 | 115.2 | V35 | V35-Y40 HydrophobicContact CG1-CD2 3.94Å; V35-Y40 HydrophobicContact CG1-CE2 3.47Å; V35-Y40 VanDerWaalsContact CG1-CE2 3.47Å; V35-Y40 WeakPolarHBondContact O-CD2 3.24Å; V35-Y40 PolarHBondContact O-N 3.37Å |
| 41 | T | 87.3 | Confident | 94.4 | Very high | 26 Ų | 26 | 54.8 Ų | 54.8 | 16% | 0.16 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -42.2 | -173.7 | -56.5 | 0 | 0 | 0 | 0 | 113 | E36 L37 T43 Y189 F193 | E36-T41 WeakPolarHBondContact O-CB 3.31Å; E36-T41 PolarHBondContact O-N 3.32Å; E36-T41 PolarHBondContact O-OG1 2.97Å; L37-T41 HydrophobicContact CD1-CG2 4.29Å; L37-T41 CarbonylContact O-C 3.57Å; L37-T41 WeakPolarHBondContact O-CA 3.43Å; L37-T41 VanDerWaalsContact O-CB 3.24Å; L37-T41 WeakPolarHBondContact O-CB 3.12Å; L37-T41 PolarHBondContact O-N 3.01Å; T41-T43 PolarHBondContact O-N 3.16Å; T41-Y189 HydrophobicContact CG2-CD1 3.58Å; T41-Y189 HydrophobicContact CG2-CE1 3.93Å; T41-Y189 HydrophobicContact CG2-CG 4.49Å; T41-F193 HydrophobicContact CG2-CE2 4.13Å; T41-F193 HydrophobicContact CG2-CZ 3.84Å |
| 42 | I | 90.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | trans | -77.7 | 115.9 | -179 | -53.2 | -169 | 0 | 0 | 0 | 109.4 | L37 E47 R48 Y51 Y189 | L37-I42 HydrophobicContact CD1-CG1 4.49Å; L37-I42 HydrophobicContact CG-CD1 4.27Å; L37-I42 HydrophobicContact CG-CG1 4.3Å; L37-I42 WeakPolarHBondContact O-CG1 3.37Å; L37-I42 PolarHBondContact O-N 3.48Å; I42-E47 HydrophobicContact CD1-CG 4.47Å; I42-E47 HydrophobicContact CG2-CB 4.1Å; I42-E47 HydrophobicContact CG2-CG 4.07Å; I42-R48 HydrophobicContact CG2-CB 4.09Å; I42-R48 PolarHBondContact O-NE 3Å; I42-R48 PolarHBondContact O-NH2 3.11Å; I42-Y51 HydrophobicContact CD1-CD2 3.53Å; I42-Y51 HydrophobicContact CD1-CE2 3.98Å; I42-Y51 HydrophobicContact CD1-CG 4.43Å; I42-Y189 HydrophobicContact CD1-CE2 4.2Å; I42-Y189 HydrophobicContact CG1-CE1 4.16Å; I42-Y189 HydrophobicContact CG1-CE2 4.25Å; I42-Y189 WeakPolarHBondContact CG1-OH 3.34Å | ||
| 43 | T | 90.9 | Very high | 94.6 | Very high | 125 Ų | 125 | 57.2 Ų | 57.2 | 77% | 0.767 | 30% | 0.301 | S | S | * | . | trans | -88.9 | -28.9 | 179.6 | 55.2 | 0 | 0 | 0 | 0 | 112.9 | T41 M45 | T41-T43 PolarHBondContact O-N 3.16Å; T43-M45 PolarHBondContact O-N 3Å | ||
| 44 | M | 94.6 | Very high | 94.6 | Very high | 124 Ų | 124 | 61.9 Ų | 61.9 | 61% | 0.611 | 32% | 0.322 | S | S | * | . | trans | -78.4 | 119.5 | -177.9 | -65.3 | -59 | -67.3 | 0 | 0 | 111.4 | G46 E47 R48 | M44-G46 PolarHBondContact O-N 3.5Å; M44-E47 HydrophobicContact CB-CB 4.1Å; M44-E47 PolarHBondContact O-N 2.83Å; M44-R48 WeakPolarHBondContact O-CB 3.35Å; M44-R48 PolarHBondContact O-N 3.27Å | ||
| 45 | M | 95.5 | Very high | 94.7 | Very high | 115 Ų | 115 | 61.1 Ų | 61.1 | 57% | 0.567 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -61 | -44 | -176.5 | -173 | 64.2 | 74.1 | 0 | 0 | 112.9 | T43 R48 I49 | T43-M45 PolarHBondContact O-N 3Å; M45-R48 PolarHBondContact O-N 3.41Å; M45-I49 HydrophobicContact CG-CD1 3.89Å; M45-I49 WeakPolarHBondContact O-CG1 3.39Å; M45-I49 PolarHBondContact O-N 3.49Å; M45-I49 HydrophobicContact SD-CD1 4.21Å; M45-I49 HydrophobicContact SD-CG1 4.4Å |
| 46 | G | 96.2 | Very high | 94.9 | Very high | 49 Ų | 49 | 62.5 Ų | 62.5 | 51% | 0.505 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.6 | -47.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | M44 R48 I49 V50 | M44-G46 PolarHBondContact O-N 3.5Å; G46-R48 PolarHBondContact O-N 2.84Å; G46-I49 PolarHBondContact O-N 3.27Å; G46-V50 WeakPolarHBondContact O-CG2 3.44Å; G46-V50 PolarHBondContact O-N 2.94Å; G46-V50 VanDerWaalsContact O-N 3.09Å |
| 47 | E | 94.6 | Very high | 95.2 | Very high | 52 Ų | 52 | 66.8 Ų | 66.8 | 24% | 0.243 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.4 | -46.9 | 176 | -176.3 | -177.8 | 177.8 | 0 | 0 | 111.3 | I42 M44 I49 V50 Y51 Q188 Y189 | I42-E47 HydrophobicContact CD1-CG 4.47Å; I42-E47 HydrophobicContact CG2-CB 4.1Å; I42-E47 HydrophobicContact CG2-CG 4.07Å; M44-E47 HydrophobicContact CB-CB 4.1Å; M44-E47 PolarHBondContact O-N 2.83Å; E47-I49 PolarHBondContact O-N 2.08Å; E47-V50 PolarHBondContact O-N 3.44Å; E47-Y51 HydrophobicContact CG-CD1 4.27Å; E47-Y51 HydrophobicContact CG-CD2 4.33Å; E47-Y51 HydrophobicContact CG-CE1 4.01Å; E47-Y51 HydrophobicContact CG-CE2 4.05Å; E47-Y51 HydrophobicContact CG-CG 4.44Å; E47-Y51 WeakPolarHBondContact O-CB 3.47Å; E47-Y51 WeakPolarHBondContact O-CD1 3.16Å; E47-Y51 PolarHBondContact O-N 2.76Å; E47-Q188 PolarHBondContact OE1-NE2 3.42Å; E47-Y189 PolarHBondContact OE1-OH 3.22Å; E47-Y189 PolarHBondContact OE2-OH 3.18Å |
| 48 | R | 96.8 | Very high | 95.5 | Very high | 56 Ų | 56 | 67.1 Ų | 67.1 | 21% | 0.211 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -55.8 | -48.7 | 177.8 | -179.2 | -171.4 | -64.8 | -179.4 | -1.9 | 111.9 | C38 L39 I42 M44 M45 G46 Y51 L52 | C38-R48 HydrophobicContact CB-CG 4.39Å; C38-R48 WeakPolarHBondContact O-CG 3.32Å; C38-R48 PolarHBondContact O-NE 2.84Å; L39-R48 PolarHBondContact O-NH2 3.21Å; I42-R48 HydrophobicContact CG2-CB 4.09Å; I42-R48 PolarHBondContact O-NE 3Å; I42-R48 PolarHBondContact O-NH2 3.11Å; M44-R48 WeakPolarHBondContact O-CB 3.35Å; M44-R48 PolarHBondContact O-N 3.27Å; M45-R48 PolarHBondContact O-N 3.41Å; G46-R48 PolarHBondContact O-N 2.84Å; R48-Y51 PolarHBondContact O-N 3.28Å; R48-L52 HydrophobicContact CG-CD1 3.87Å; R48-L52 HydrophobicContact CG-CG 4.48Å; R48-L52 WeakPolarHBondContact O-CB 3.48Å; R48-L52 VanDerWaalsContact O-CG 3.26Å; R48-L52 WeakPolarHBondContact O-CG 3.24Å; R48-L52 PolarHBondContact O-N 2.9Å |
| 49 | I | 97.6 | Very high | 95.7 | Very high | 86 Ų | 86 | 69 Ų | 69 | 44% | 0.441 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.3 | -48.2 | -178.8 | -69.6 | 169.6 | 0 | 0 | 0 | 110.6 | M45 G46 E47 Y51 L52 I53 | M45-I49 HydrophobicContact CG-CD1 3.89Å; M45-I49 WeakPolarHBondContact O-CG1 3.39Å; M45-I49 PolarHBondContact O-N 3.49Å; M45-I49 HydrophobicContact SD-CD1 4.21Å; M45-I49 HydrophobicContact SD-CG1 4.4Å; G46-I49 PolarHBondContact O-N 3.27Å; E47-I49 PolarHBondContact O-N 2.08Å; I49-Y51 VanDerWaalsContact C-N 3.32Å; I49-Y51 PolarHBondContact O-N 3.25Å; I49-L52 PolarHBondContact O-N 3.44Å; I49-I53 HydrophobicContact CG2-CD1 3.72Å; I49-I53 HydrophobicContact CG2-CG1 4.44Å; I49-I53 VanDerWaalsContact O-CG1 3.32Å; I49-I53 WeakPolarHBondContact O-CG1 3.4Å; I49-I53 PolarHBondContact O-N 2.84Å |
| 50 | V | 97.3 | Very high | 96 | Very high | 94 Ų | 94 | 69.2 Ų | 69.2 | 57% | 0.57 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -59.6 | -45.3 | 179.8 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | G46 E47 I53 F54 | G46-V50 WeakPolarHBondContact O-CG2 3.44Å; G46-V50 PolarHBondContact O-N 2.94Å; G46-V50 VanDerWaalsContact O-N 3.09Å; E47-V50 PolarHBondContact O-N 3.44Å; V50-I53 PolarHBondContact O-N 3.16Å; V50-F54 PolarHBondContact O-N 3.02Å; V50-F54 VanDerWaalsContact O-N 3.16Å |
| 51 | Y | 97.6 | Very high | 96.4 | Very high | 40 Ų | 40 | 63 Ų | 63 | 16% | 0.157 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.2 | -44.8 | -179.3 | -78.3 | 17.7 | 0 | 0 | 0 | 111.5 | I42 E47 R48 I49 I53 F54 F55 F181 T185 Q188 Y189 | I42-Y51 HydrophobicContact CD1-CD2 3.53Å; I42-Y51 HydrophobicContact CD1-CE2 3.98Å; I42-Y51 HydrophobicContact CD1-CG 4.43Å; E47-Y51 HydrophobicContact CG-CD1 4.27Å; E47-Y51 HydrophobicContact CG-CD2 4.33Å; E47-Y51 HydrophobicContact CG-CE1 4.01Å; E47-Y51 HydrophobicContact CG-CE2 4.05Å; E47-Y51 HydrophobicContact CG-CG 4.44Å; E47-Y51 WeakPolarHBondContact O-CB 3.47Å; E47-Y51 WeakPolarHBondContact O-CD1 3.16Å; E47-Y51 PolarHBondContact O-N 2.76Å; R48-Y51 PolarHBondContact O-N 3.28Å; I49-Y51 VanDerWaalsContact C-N 3.32Å; I49-Y51 PolarHBondContact O-N 3.25Å; Y51-I53 PolarHBondContact O-N 3.29Å; Y51-F54 PolarHBondContact O-N 3.43Å; Y51-F55 WeakPolarHBondContact O-CB 3.19Å; Y51-F55 PolarHBondContact O-N 3.47Å; Y51-F181 HydrophobicContact CG-CZ 4.5Å; Y51-T185 HydrophobicContact CD1-CG2 4.26Å; Y51-T185 HydrophobicContact CD2-CG2 4.07Å; Y51-T185 HydrophobicContact CE1-CG2 3.86Å; Y51-T185 HydrophobicContact CE2-CG2 3.66Å; Y51-T185 HydrophobicContact CG-CG2 4.36Å; Y51-Q188 PolarHBondContact OH-NE2 3.04Å; Y51-Y189 HydrophobicContact CE2-CE2 4.36Å |
| 52 | L | 98.4 | Very high | 96.9 | Very high | 35 Ų | 35 | 62.4 Ų | 62.4 | 18% | 0.183 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 178.1 | -74 | 172.4 | 0 | 0 | 0 | 112 | V34 C38 R48 I49 H56 | V34-L52 HydrophobicContact CB-CD2 4.41Å; V34-L52 HydrophobicContact CG1-CD2 3.94Å; V34-L52 HydrophobicContact CG2-CD2 4.19Å; C38-L52 HydrophobicContact CB-CD2 3.79Å; C38-L52 HydrophobicContact CB-CG 4.05Å; R48-L52 HydrophobicContact CG-CD1 3.87Å; R48-L52 HydrophobicContact CG-CG 4.48Å; R48-L52 WeakPolarHBondContact O-CB 3.48Å; R48-L52 VanDerWaalsContact O-CG 3.26Å; R48-L52 WeakPolarHBondContact O-CG 3.24Å; R48-L52 PolarHBondContact O-N 2.9Å; I49-L52 PolarHBondContact O-N 3.44Å; L52-H56 WeakPolarHBondContact O-CB 3.46Å; L52-H56 PolarHBondContact O-N 3.44Å; L52-H56 PolarHBondContact O-ND1 3.05Å |
| 53 | I | 98.4 | Very high | 97.3 | Very high | 107 Ų | 107 | 65 Ų | 65 | 55% | 0.549 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.8 | -53.7 | 179.2 | -69.8 | 168.3 | 0 | 0 | 0 | 110.4 | I49 V50 Y51 F55 H56 V57 | I49-I53 HydrophobicContact CG2-CD1 3.72Å; I49-I53 HydrophobicContact CG2-CG1 4.44Å; I49-I53 VanDerWaalsContact O-CG1 3.32Å; I49-I53 WeakPolarHBondContact O-CG1 3.4Å; I49-I53 PolarHBondContact O-N 2.84Å; V50-I53 PolarHBondContact O-N 3.16Å; Y51-I53 PolarHBondContact O-N 3.29Å; I53-F55 VanDerWaalsContact C-N 3.33Å; I53-F55 PolarHBondContact O-N 3.48Å; I53-H56 PolarHBondContact O-N 3.09Å; I53-V57 WeakPolarHBondContact O-CG2 3.36Å; I53-V57 PolarHBondContact O-N 3.17Å |
| 54 | F | 98.2 | Very high | 97.7 | Very high | 97 Ų | 97 | 63.4 Ų | 63.4 | 43% | 0.425 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.9 | -39.7 | -178.2 | -168.7 | -80.3 | 0 | 0 | 0 | 111.7 | V50 Y51 H56 V57 S58 V177 F181 | V50-F54 PolarHBondContact O-N 3.02Å; V50-F54 VanDerWaalsContact O-N 3.16Å; Y51-F54 PolarHBondContact O-N 3.43Å; F54-H56 PolarHBondContact O-N 2.88Å; F54-V57 PolarHBondContact O-N 2.89Å; F54-S58 WeakPolarHBondContact O-CB 3.42Å; F54-S58 PolarHBondContact O-N 3.49Å; F54-S58 PolarHBondContact O-OG 2.81Å; F54-V177 HydrophobicContact CE1-CG1 4.15Å; F54-V177 HydrophobicContact CZ-CG1 4.16Å; F54-F181 HydrophobicContact CB-CE1 4.46Å; F54-F181 HydrophobicContact CB-CE2 3.85Å; F54-F181 HydrophobicContact CB-CZ 3.8Å; F54-F181 HydrophobicContact CD1-CB 4.15Å; F54-F181 AromaticContact CD1-CD1 3.78Å; F54-F181 HydrophobicContact CD1-CD1 3.78Å; F54-F181 AromaticContact CD1-CD2 3.11Å; F54-F181 HydrophobicContact CD1-CD2 3.11Å; F54-F181 AromaticContact CD1-CE1 3.91Å; F54-F181 HydrophobicContact CD1-CE1 3.91Å; F54-F181 AromaticContact CD1-CE2 3.26Å; F54-F181 HydrophobicContact CD1-CE2 3.26Å; F54-F181 AromaticContact CD1-CG 3.38Å; F54-F181 HydrophobicContact CD1-CG 3.38Å; F54-F181 AromaticContact CD1-CZ 3.67Å; F54-F181 HydrophobicContact CD1-CZ 3.67Å; F54-F181 HydrophobicContact CE1-CB 3.78Å; F54-F181 HydrophobicContact CE1-CD1 4.28Å; F54-F181 AromaticContact CE1-CD2 3.34Å; F54-F181 HydrophobicContact CE1-CD2 3.34Å; F54-F181 AromaticContact CE1-CE2 3.98Å; F54-F181 HydrophobicContact CE1-CE2 3.98Å; F54-F181 AromaticContact CE1-CG 3.52Å; F54-F181 HydrophobicContact CE1-CG 3.52Å; F54-F181 AromaticContact CG-CD2 3.97Å; F54-F181 HydrophobicContact CG-CD2 3.97Å; F54-F181 AromaticContact CG-CE2 3.69Å; F54-F181 HydrophobicContact CG-CE2 3.69Å; F54-F181 HydrophobicContact CG-CZ 4.07Å; F54-F181 HydrophobicContact CZ-CD2 4.33Å |
| 55 | F | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.4 | -49.2 | 175 | -175.6 | -99.5 | 0 | 0 | 0 | 111.7 | Y30 Y33 V34 Y51 I53 S58 F59 Y178 F181 I182 | Y30-F55 AromaticContact CD2-CE1 3.52Å; Y30-F55 HydrophobicContact CD2-CE1 3.52Å; Y30-F55 HydrophobicContact CD2-CZ 4.19Å; Y30-F55 AromaticContact CE2-CE1 3.87Å; Y30-F55 HydrophobicContact CE2-CE1 3.87Å; Y30-F55 HydrophobicContact CG-CE1 4.24Å; Y33-F55 HydrophobicContact CD1-CB 4.06Å; Y33-F55 AromaticContact CD1-CD1 3.99Å; Y33-F55 HydrophobicContact CD1-CD1 3.99Å; Y33-F55 AromaticContact CD1-CD2 3.17Å; Y33-F55 HydrophobicContact CD1-CD2 3.17Å; Y33-F55 HydrophobicContact CD1-CE1 4.25Å; Y33-F55 AromaticContact CD1-CE2 3.48Å; Y33-F55 HydrophobicContact CD1-CE2 3.48Å; Y33-F55 VanDerWaalsContact CD1-CE2 3.48Å; Y33-F55 AromaticContact CD1-CG 3.45Å; Y33-F55 HydrophobicContact CD1-CG 3.45Å; Y33-F55 VanDerWaalsContact CD1-CG 3.45Å; Y33-F55 HydrophobicContact CD1-CZ 4.02Å; Y33-F55 HydrophobicContact CD2-CD2 4.21Å; Y33-F55 HydrophobicContact CD2-CE2 4.13Å; Y33-F55 HydrophobicContact CE1-CB 3.73Å; Y33-F55 AromaticContact CE1-CD2 3.43Å; Y33-F55 HydrophobicContact CE1-CD2 3.43Å; Y33-F55 VanDerWaalsContact CE1-CD2 3.43Å; Y33-F55 HydrophobicContact CE1-CE2 4.17Å; Y33-F55 AromaticContact CE1-CG 3.64Å; Y33-F55 HydrophobicContact CE1-CG 3.64Å; Y33-F55 HydrophobicContact CE2-CD2 4.41Å; Y33-F55 AromaticContact CG-CD2 3.61Å; Y33-F55 HydrophobicContact CG-CD2 3.61Å; Y33-F55 AromaticContact CG-CE2 3.45Å; Y33-F55 HydrophobicContact CG-CE2 3.45Å; Y33-F55 VanDerWaalsContact CG-CE2 3.45Å; Y33-F55 HydrophobicContact CG-CG 4.3Å; Y33-F55 HydrophobicContact CG-CZ 4.05Å; V34-F55 HydrophobicContact CG2-CD1 3.77Å; V34-F55 HydrophobicContact CG2-CE1 3.53Å; V34-F55 HydrophobicContact CG2-CZ 4.42Å; Y51-F55 WeakPolarHBondContact O-CB 3.19Å; Y51-F55 PolarHBondContact O-N 3.47Å; I53-F55 VanDerWaalsContact C-N 3.33Å; I53-F55 PolarHBondContact O-N 3.48Å; F55-S58 PolarHBondContact O-N 3.26Å; F55-S58 PolarHBondContact O-OG 3.48Å; F55-F59 HydrophobicContact CE1-CB 4.47Å; F55-F59 WeakPolarHBondContact O-CB 3.47Å; F55-F59 PolarHBondContact O-N 2.84Å; F55-Y178 HydrophobicContact CD2-CE2 4.12Å; F55-Y178 HydrophobicContact CE2-CD2 4.37Å; F55-Y178 AromaticContact CE2-CE2 3.41Å; F55-Y178 HydrophobicContact CE2-CE2 3.41Å; F55-Y178 VanDerWaalsContact CE2-CE2 3.41Å; F55-Y178 AromaticContact CE2-CZ 3.87Å; F55-Y178 AromaticContact CZ-CE2 3.7Å; F55-Y178 HydrophobicContact CZ-CE2 3.7Å; F55-Y178 AromaticContact CZ-CZ 3.99Å; F55-Y178 WeakPolarHBondContact CZ-OH 3.21Å; F55-F181 HydrophobicContact CB-CE1 3.84Å; F55-F181 HydrophobicContact CD2-CD1 4.34Å; F55-F181 HydrophobicContact CD2-CE1 4.22Å; F55-I182 HydrophobicContact CD2-CG1 4.45Å; F55-I182 HydrophobicContact CE2-CD1 4.03Å; F55-I182 HydrophobicContact CE2-CG1 4.07Å |
| 56 | H | 98.7 | Very high | 98.1 | Very high | 65 Ų | 65 | 53 Ų | 53 | 30% | 0.301 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -68.3 | -39.6 | -177.9 | -76.7 | 80.4 | 0 | 0 | 0 | 112.3 | Y30 L52 I53 F54 F59 V60 | Y30-H56 AromaticContact CE2-NE2 3.63Å; Y30-H56 AromaticContact CZ-NE2 3.56Å; Y30-H56 PolarHBondContact OH-NE2 3.39Å; L52-H56 WeakPolarHBondContact O-CB 3.46Å; L52-H56 PolarHBondContact O-N 3.44Å; L52-H56 PolarHBondContact O-ND1 3.05Å; I53-H56 PolarHBondContact O-N 3.09Å; F54-H56 PolarHBondContact O-N 2.88Å; H56-F59 PolarHBondContact O-N 3.48Å; H56-V60 WeakPolarHBondContact O-CB 3.36Å; H56-V60 VanDerWaalsContact O-CG2 3.23Å; H56-V60 WeakPolarHBondContact O-CG2 3.3Å; H56-V60 PolarHBondContact O-N 3.42Å |
| 57 | V | 98.6 | Very high | 98.2 | Very high | 92 Ų | 92 | 57.9 Ų | 57.9 | 56% | 0.558 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -61.5 | -49.7 | 175.9 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | I53 F54 V60 M61 | I53-V57 WeakPolarHBondContact O-CG2 3.36Å; I53-V57 PolarHBondContact O-N 3.17Å; F54-V57 PolarHBondContact O-N 2.89Å; V57-V60 PolarHBondContact O-N 2.93Å; V57-M61 WeakPolarHBondContact O-CG 3.46Å; V57-M61 PolarHBondContact O-N 2.97Å; V57-M61 VanDerWaalsContact O-N 3.1Å |
| 58 | S | 98.3 | Very high | 98.4 | Very high | 7 Ų | 7 | 58.4 Ų | 58.4 | 5% | 0.049 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 178 | 59.3 | 0 | 0 | 0 | 0 | 112.4 | F54 F55 M61 F62 | F54-S58 WeakPolarHBondContact O-CB 3.42Å; F54-S58 PolarHBondContact O-N 3.49Å; F54-S58 PolarHBondContact O-OG 2.81Å; F55-S58 PolarHBondContact O-N 3.26Å; F55-S58 PolarHBondContact O-OG 3.48Å; S58-M61 PolarHBondContact O-N 3.16Å; S58-F62 VanDerWaalsContact O-CB 3.29Å; S58-F62 WeakPolarHBondContact O-CB 3.34Å; S58-F62 PolarHBondContact O-N 3.43Å |
| 59 | F | 98.6 | Very high | 98.5 | Very high | 40 Ų | 40 | 55.7 Ų | 55.7 | 18% | 0.175 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.3 | -47.5 | 176.1 | 178.2 | -96.9 | 0 | 0 | 0 | 112 | V26 Y30 F55 H56 M61 F62 V63 Y178 | V26-F59 HydrophobicContact CG1-CD2 4.44Å; V26-F59 HydrophobicContact CG1-CE2 3.61Å; V26-F59 HydrophobicContact CG1-CZ 4.36Å; Y30-F59 HydrophobicContact CD2-CD1 4.09Å; Y30-F59 AromaticContact CD2-CD2 3.91Å; Y30-F59 HydrophobicContact CD2-CD2 3.91Å; Y30-F59 AromaticContact CD2-CE1 3.91Å; Y30-F59 HydrophobicContact CD2-CE1 3.91Å; Y30-F59 AromaticContact CD2-CE2 3.71Å; Y30-F59 HydrophobicContact CD2-CE2 3.71Å; Y30-F59 HydrophobicContact CD2-CG 4.08Å; Y30-F59 AromaticContact CD2-CZ 3.72Å; Y30-F59 HydrophobicContact CD2-CZ 3.72Å; Y30-F59 HydrophobicContact CE2-CD1 4.22Å; Y30-F59 HydrophobicContact CE2-CE1 4.18Å; Y30-F59 HydrophobicContact CE2-CZ 4.42Å; Y30-F59 HydrophobicContact CG-CE2 4.29Å; Y30-F59 HydrophobicContact CG-CZ 4.35Å; F55-F59 HydrophobicContact CE1-CB 4.47Å; F55-F59 WeakPolarHBondContact O-CB 3.47Å; F55-F59 PolarHBondContact O-N 2.84Å; H56-F59 PolarHBondContact O-N 3.48Å; F59-M61 PolarHBondContact O-N 3.15Å; F59-F62 PolarHBondContact O-N 3.39Å; F59-V63 HydrophobicContact CD1-CG2 4.26Å; F59-V63 HydrophobicContact CD2-CG2 4.33Å; F59-V63 HydrophobicContact CE1-CG2 3.89Å; F59-V63 HydrophobicContact CE2-CG2 3.98Å; F59-V63 HydrophobicContact CG-CG2 4.47Å; F59-V63 HydrophobicContact CZ-CG2 3.74Å; F59-V63 WeakPolarHBondContact O-CG2 3.35Å; F59-V63 PolarHBondContact O-N 3.24Å; F59-Y178 HydrophobicContact CB-CE2 4.1Å; F59-Y178 AromaticContact CD2-CE2 3.93Å; F59-Y178 HydrophobicContact CD2-CE2 3.93Å |
| 60 | V | 98.8 | Very high | 98.5 | Very high | 86 Ų | 86 | 52.3 Ų | 52.3 | 52% | 0.521 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.8 | -45.3 | 178.6 | 167.8 | 0 | 0 | 0 | 0 | 110.8 | H56 V57 V63 W64 | H56-V60 WeakPolarHBondContact O-CB 3.36Å; H56-V60 VanDerWaalsContact O-CG2 3.23Å; H56-V60 WeakPolarHBondContact O-CG2 3.3Å; H56-V60 PolarHBondContact O-N 3.42Å; V57-V60 PolarHBondContact O-N 2.93Å; V60-V63 PolarHBondContact O-N 2.84Å; V60-W64 WeakPolarHBondContact O-CB 3.38Å; V60-W64 PolarHBondContact O-N 3.48Å |
| 61 | M | 98.7 | Very high | 98.6 | Very high | 26 Ų | 26 | 52.4 Ų | 52.4 | 13% | 0.128 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.2 | -38.4 | 178.4 | -66.8 | -55.8 | -68 | 0 | 0 | 112.5 | V57 S58 F59 W64 S65 Y174 L287 L288 P289 | V57-M61 WeakPolarHBondContact O-CG 3.46Å; V57-M61 PolarHBondContact O-N 2.97Å; V57-M61 VanDerWaalsContact O-N 3.1Å; S58-M61 PolarHBondContact O-N 3.16Å; F59-M61 PolarHBondContact O-N 3.15Å; M61-W64 HydrophobicContact CE-CE3 4.21Å; M61-W64 HydrophobicContact CE-CZ3 4.33Å; M61-W64 HydrophobicContact SD-CE3 3.84Å; M61-W64 HydrophobicContact SD-CZ3 4.14Å; M61-S65 WeakPolarHBondContact O-CB 3.25Å; M61-S65 PolarHBondContact O-N 3.05Å; M61-S65 PolarHBondContact O-OG 3.01Å; M61-Y174 HydrophobicContact CB-CD1 3.58Å; M61-Y174 HydrophobicContact CB-CD2 3.93Å; M61-Y174 HydrophobicContact CB-CE1 3.69Å; M61-Y174 HydrophobicContact CB-CE2 4.03Å; M61-Y174 HydrophobicContact CB-CG 3.73Å; M61-Y174 HydrophobicContact CE-CE1 4.29Å; M61-Y174 HydrophobicContact CE-CE2 3.62Å; M61-Y174 VanDerWaalsContact CE-CZ 3.49Å; M61-Y174 WeakPolarHBondContact CE-OH 3.45Å; M61-Y174 HydrophobicContact CG-CD1 4.44Å; M61-Y174 HydrophobicContact CG-CE1 4.09Å; M61-L287 VanDerWaalsContact CE-O 3.22Å; M61-L287 WeakPolarHBondContact CE-O 3.36Å; M61-L288 HydrophobicContact CE-CD2 4.06Å; M61-P289 HydrophobicContact CE-CG 4.47Å |
| 62 | F | 98.8 | Very high | 98.6 | Very high | 13 Ų | 13 | 51.7 Ų | 51.7 | 6% | 0.057 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61 | -53.1 | 172.7 | 165.9 | -94.2 | 0 | 0 | 0 | 111.6 | V26 S58 F59 W64 S65 Y66 F171 S175 | V26-F62 HydrophobicContact CB-CE1 4.27Å; V26-F62 HydrophobicContact CG1-CD1 4.42Å; V26-F62 HydrophobicContact CG1-CE1 3.79Å; V26-F62 HydrophobicContact CG2-CE1 3.44Å; V26-F62 VanDerWaalsContact CG2-CE1 3.44Å; V26-F62 HydrophobicContact CG2-CZ 3.6Å; S58-F62 VanDerWaalsContact O-CB 3.29Å; S58-F62 WeakPolarHBondContact O-CB 3.34Å; S58-F62 PolarHBondContact O-N 3.43Å; F59-F62 PolarHBondContact O-N 3.39Å; F62-W64 PolarHBondContact O-N 2.87Å; F62-S65 PolarHBondContact O-N 3.18Å; F62-S65 PolarHBondContact O-OG 2.75Å; F62-Y66 VanDerWaalsContact O-CB 3.3Å; F62-Y66 WeakPolarHBondContact O-CB 3.43Å; F62-Y66 PolarHBondContact O-N 3.41Å; F62-F171 HydrophobicContact CD2-CD2 4.42Å; F62-F171 HydrophobicContact CD2-CE2 4.4Å; F62-F171 HydrophobicContact CE2-CD2 4.15Å; F62-F171 AromaticContact CE2-CE2 3.69Å; F62-F171 HydrophobicContact CE2-CE2 3.69Å; F62-F171 HydrophobicContact CZ-CE2 4.28Å; F62-S175 WeakPolarHBondContact CD2-OG 3.38Å; F62-S175 WeakPolarHBondContact CE2-OG 3.4Å |
| 63 | V | 98.8 | Very high | 98.6 | Very high | 55 Ų | 55 | 58.4 Ų | 58.4 | 33% | 0.333 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.8 | -41.8 | -179.2 | 173.1 | 0 | 0 | 0 | 0 | 111 | F59 V60 Y66 W67 | F59-V63 HydrophobicContact CD1-CG2 4.26Å; F59-V63 HydrophobicContact CD2-CG2 4.33Å; F59-V63 HydrophobicContact CE1-CG2 3.89Å; F59-V63 HydrophobicContact CE2-CG2 3.98Å; F59-V63 HydrophobicContact CG-CG2 4.47Å; F59-V63 HydrophobicContact CZ-CG2 3.74Å; F59-V63 WeakPolarHBondContact O-CG2 3.35Å; F59-V63 PolarHBondContact O-N 3.24Å; V60-V63 PolarHBondContact O-N 2.84Å; V63-Y66 PolarHBondContact O-N 3.42Å; V63-W67 VanDerWaalsContact O-CB 3.24Å; V63-W67 WeakPolarHBondContact O-CB 3.47Å; V63-W67 PolarHBondContact O-N 3.5Å |
| 64 | W | 98.8 | Very high | 98.6 | Very high | 92 Ų | 92 | 54.1 Ų | 54.1 | 35% | 0.348 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.5 | -46.6 | 179.3 | -176.6 | 19.1 | 0 | 0 | 0 | 111.9 | V60 M61 F62 W67 K68 L288 P289 I290 | V60-W64 WeakPolarHBondContact O-CB 3.38Å; V60-W64 PolarHBondContact O-N 3.48Å; M61-W64 HydrophobicContact CE-CE3 4.21Å; M61-W64 HydrophobicContact CE-CZ3 4.33Å; M61-W64 HydrophobicContact SD-CE3 3.84Å; M61-W64 HydrophobicContact SD-CZ3 4.14Å; F62-W64 PolarHBondContact O-N 2.87Å; W64-W67 PolarHBondContact O-N 3.15Å; W64-K68 WeakPolarHBondContact O-CB 3.43Å; W64-K68 VanDerWaalsContact O-CG 3.29Å; W64-K68 WeakPolarHBondContact O-CG 3.35Å; W64-K68 PolarHBondContact O-N 2.96Å; W64-L288 HydrophobicContact CH2-CB 4.38Å; W64-L288 HydrophobicContact CH2-CD2 4.34Å; W64-L288 HydrophobicContact CZ3-CD2 4.02Å; W64-P289 HydrophobicContact CB-CG 4.45Å; W64-P289 HydrophobicContact CD2-CB 4.07Å; W64-P289 HydrophobicContact CD2-CG 3.78Å; W64-P289 HydrophobicContact CE3-CG 4.01Å; W64-P289 HydrophobicContact CG-CB 4.19Å; W64-P289 HydrophobicContact CG-CG 3.99Å; W64-P289 HydrophobicContact CZ2-CB 4.5Å; W64-I290 HydrophobicContact CH2-CD1 4.39Å; W64-I290 HydrophobicContact CH2-CG1 4.34Å; W64-I290 HydrophobicContact CZ2-CG1 4.07Å |
| 65 | S | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.9 | -39.4 | 177.3 | 55.6 | 0 | 0 | 0 | 0 | 112.6 | M61 F62 K68 T69 F171 | M61-S65 WeakPolarHBondContact O-CB 3.25Å; M61-S65 PolarHBondContact O-N 3.05Å; M61-S65 PolarHBondContact O-OG 3.01Å; F62-S65 PolarHBondContact O-N 3.18Å; F62-S65 PolarHBondContact O-OG 2.75Å; S65-K68 PolarHBondContact O-N 3.11Å; S65-T69 WeakPolarHBondContact O-CB 3.24Å; S65-T69 PolarHBondContact O-N 3.34Å; S65-T69 PolarHBondContact O-OG1 3.1Å; S65-F171 WeakPolarHBondContact OG-CA 3.13Å |
| 66 | Y | 98.8 | Very high | 98.4 | Very high | 20 Ų | 20 | 55.9 Ų | 55.9 | 8% | 0.078 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.5 | -48.3 | 174.6 | -173.3 | -131.2 | 0 | 0 | 0 | 111.5 | I22 F62 V63 K68 T69 I70 W155 V156 F171 | I22-Y66 HydrophobicContact CG2-CE1 3.88Å; I22-Y66 HydrophobicContact CG2-CE2 4.44Å; F62-Y66 VanDerWaalsContact O-CB 3.3Å; F62-Y66 WeakPolarHBondContact O-CB 3.43Å; F62-Y66 PolarHBondContact O-N 3.41Å; V63-Y66 PolarHBondContact O-N 3.42Å; Y66-K68 PolarHBondContact O-N 3.17Å; Y66-T69 WeakPolarHBondContact O-CB 3.48Å; Y66-T69 PolarHBondContact O-N 3.31Å; Y66-T69 VanDerWaalsContact O-N 3.09Å; Y66-I70 HydrophobicContact CD1-CD1 3.77Å; Y66-I70 HydrophobicContact CD2-CD1 4.08Å; Y66-I70 HydrophobicContact CD2-CG1 4.4Å; Y66-I70 HydrophobicContact CE1-CD1 3.5Å; Y66-I70 HydrophobicContact CE2-CD1 3.84Å; Y66-I70 HydrophobicContact CE2-CG1 4.19Å; Y66-I70 HydrophobicContact CG-CD1 4.05Å; Y66-I70 WeakPolarHBondContact O-CG1 3.32Å; Y66-I70 PolarHBondContact O-N 3.41Å; Y66-W155 WeakPolarHBondContact CE2-O 3.37Å; Y66-W155 PolarHBondContact OH-O 3.18Å; Y66-V156 HydrophobicContact CD2-CG1 4.04Å; Y66-V156 HydrophobicContact CE2-CG1 3.66Å; Y66-F171 AromaticContact CD2-CD2 3.7Å; Y66-F171 HydrophobicContact CD2-CD2 3.7Å; Y66-F171 HydrophobicContact CD2-CE1 4.34Å; Y66-F171 AromaticContact CD2-CE2 3.34Å; Y66-F171 HydrophobicContact CD2-CE2 3.34Å; Y66-F171 HydrophobicContact CD2-CG 4.33Å; Y66-F171 AromaticContact CD2-CZ 3.7Å; Y66-F171 HydrophobicContact CD2-CZ 3.7Å; Y66-F171 HydrophobicContact CE2-CE2 4.02Å; Y66-F171 AromaticContact CE2-CZ 3.97Å; Y66-F171 HydrophobicContact CE2-CZ 3.97Å; Y66-F171 HydrophobicContact CG-CD2 4.13Å; Y66-F171 AromaticContact CG-CE2 3.94Å; Y66-F171 HydrophobicContact CG-CE2 3.94Å |
| 67 | W | 98.8 | Very high | 98.3 | Very high | 152 Ų | 152 | 53.6 Ų | 53.6 | 58% | 0.576 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -56.6 | -48.3 | 175.7 | -178.6 | -83.2 | 0 | 0 | 0 | 111.7 | V63 W64 T69 I70 F71 | V63-W67 VanDerWaalsContact O-CB 3.24Å; V63-W67 WeakPolarHBondContact O-CB 3.47Å; V63-W67 PolarHBondContact O-N 3.5Å; W64-W67 PolarHBondContact O-N 3.15Å; W67-T69 VanDerWaalsContact C-N 3.26Å; W67-T69 PolarHBondContact O-N 2.75Å; W67-I70 PolarHBondContact O-N 2.95Å; W67-F71 AromaticContact CD1-CD2 3.99Å; W67-F71 AromaticContact CD2-CD2 3.41Å; W67-F71 HydrophobicContact CD2-CD2 3.41Å; W67-F71 VanDerWaalsContact CD2-CD2 3.41Å; W67-F71 AromaticContact CD2-CE2 3.57Å; W67-F71 HydrophobicContact CD2-CE2 3.57Å; W67-F71 AromaticContact CE2-CD2 3.38Å; W67-F71 AromaticContact CE2-CE2 3.76Å; W67-F71 AromaticContact CE3-CD2 3.81Å; W67-F71 HydrophobicContact CE3-CD2 3.81Å; W67-F71 AromaticContact CE3-CE2 3.41Å; W67-F71 HydrophobicContact CE3-CE2 3.41Å; W67-F71 VanDerWaalsContact CE3-CE2 3.41Å; W67-F71 HydrophobicContact CE3-CZ 4.47Å; W67-F71 AromaticContact CG-CD2 3.81Å; W67-F71 HydrophobicContact CG-CD2 3.81Å; W67-F71 HydrophobicContact CG-CE2 4.32Å; W67-F71 HydrophobicContact CH2-CD2 4.12Å; W67-F71 AromaticContact CH2-CE2 3.67Å; W67-F71 HydrophobicContact CH2-CE2 3.67Å; W67-F71 HydrophobicContact CH2-CZ 4.12Å; W67-F71 AromaticContact CZ2-CD2 3.76Å; W67-F71 HydrophobicContact CZ2-CD2 3.76Å; W67-F71 AromaticContact CZ2-CE2 3.82Å; W67-F71 HydrophobicContact CZ2-CE2 3.82Å; W67-F71 HydrophobicContact CZ2-CG 4.37Å; W67-F71 HydrophobicContact CZ2-CZ 4.46Å; W67-F71 HydrophobicContact CZ3-CD2 4.14Å; W67-F71 AromaticContact CZ3-CE2 3.46Å; W67-F71 HydrophobicContact CZ3-CE2 3.46Å; W67-F71 VanDerWaalsContact CZ3-CE2 3.46Å; W67-F71 HydrophobicContact CZ3-CZ 4.13Å; W67-F71 AromaticContact NE1-CD2 3.75Å; W67-F71 WeakPolarHBondContact O-CD2 3.49Å; W67-F71 PolarHBondContact O-N 3.4Å |
| 68 | K | 98.8 | Very high | 98 | Very high | 63 Ų | 63 | 50.9 Ų | 50.9 | 27% | 0.274 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.1 | -34.4 | 177.9 | -74.3 | -67.8 | -62.2 | 173 | 0 | 112.1 | W64 S65 Y66 T72 F167 P289 | W64-K68 WeakPolarHBondContact O-CB 3.43Å; W64-K68 VanDerWaalsContact O-CG 3.29Å; W64-K68 WeakPolarHBondContact O-CG 3.35Å; W64-K68 PolarHBondContact O-N 2.96Å; S65-K68 PolarHBondContact O-N 3.11Å; Y66-K68 PolarHBondContact O-N 3.17Å; K68-T72 WeakPolarHBondContact O-CB 3.28Å; K68-T72 PolarHBondContact O-N 2.55Å; K68-T72 VanDerWaalsContact O-N 3.15Å; K68-T72 PolarHBondContact O-OG1 2.93Å; K68-F167 HydrophobicContact CB-CB 4.07Å; K68-F167 HydrophobicContact CB-CD1 4.27Å; K68-F167 HydrophobicContact CB-CD2 3.87Å; K68-F167 HydrophobicContact CB-CE2 4.41Å; K68-F167 HydrophobicContact CB-CG 3.8Å; K68-F167 VanDerWaalsContact CE-CZ 3.49Å; K68-P289 HydrophobicContact CB-CB 4.27Å; K68-P289 VanDerWaalsContact CE-O 3.32Å; K68-P289 WeakPolarHBondContact CE-O 3.25Å; K68-P289 HydrophobicContact CG-CB 3.92Å |
| 69 | T | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -70.6 | -42 | 177.4 | -53.6 | 0 | 0 | 0 | 0 | 112 | S65 Y66 W67 V156 N158 N164 F167 F168 | S65-T69 WeakPolarHBondContact O-CB 3.24Å; S65-T69 PolarHBondContact O-N 3.34Å; S65-T69 PolarHBondContact O-OG1 3.1Å; Y66-T69 WeakPolarHBondContact O-CB 3.48Å; Y66-T69 PolarHBondContact O-N 3.31Å; Y66-T69 VanDerWaalsContact O-N 3.09Å; W67-T69 VanDerWaalsContact C-N 3.26Å; W67-T69 PolarHBondContact O-N 2.75Å; T69-V156 HydrophobicContact CG2-CB 4.2Å; T69-V156 HydrophobicContact CG2-CG1 3.78Å; T69-V156 HydrophobicContact CG2-CG2 4.2Å; T69-N158 PolarHBondContact O-ND2 2.76Å; T69-N158 VanDerWaalsContact O-ND2 3.16Å; T69-N164 PolarHBondContact O-ND2 2.93Å; T69-F167 WeakPolarHBondContact OG1-CB 3.46Å; T69-F167 PolarHBondContact OG1-O 3.46Å; T69-F168 HydrophobicContact CG2-CB 3.95Å; T69-F168 HydrophobicContact CG2-CD2 4.11Å; T69-F168 PolarHBondContact OG1-N 2.77Å |
| 70 | I | 98.7 | Very high | 97.3 | Very high | 14 Ų | 14 | 64.8 Ų | 64.8 | 7% | 0.072 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.5 | -53.5 | 177.6 | -65.9 | 162.5 | 0 | 0 | 0 | 111.2 | W16 V19 Y66 W67 V156 N158 | W16-I70 HydrophobicContact CH2-CG2 3.92Å; W16-I70 HydrophobicContact CZ3-CG2 3.89Å; V19-I70 HydrophobicContact CG1-CD1 3.82Å; Y66-I70 HydrophobicContact CD1-CD1 3.77Å; Y66-I70 HydrophobicContact CD2-CD1 4.08Å; Y66-I70 HydrophobicContact CD2-CG1 4.4Å; Y66-I70 HydrophobicContact CE1-CD1 3.5Å; Y66-I70 HydrophobicContact CE2-CD1 3.84Å; Y66-I70 HydrophobicContact CE2-CG1 4.19Å; Y66-I70 HydrophobicContact CG-CD1 4.05Å; Y66-I70 WeakPolarHBondContact O-CG1 3.32Å; Y66-I70 PolarHBondContact O-N 3.41Å; W67-I70 PolarHBondContact O-N 2.95Å; I70-V156 HydrophobicContact CG1-CB 3.83Å; I70-V156 HydrophobicContact CG1-CG1 4.21Å; I70-N158 PolarHBondContact O-ND2 2.94Å |
| 71 | F | 98.6 | Very high | 97.1 | Very high | 97 Ų | 97 | 60.9 Ų | 60.9 | 43% | 0.425 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -95.6 | -7.2 | -164.4 | -64.8 | -71.1 | 0 | 0 | 0 | 114.5 | W16 W67 K73 | W16-F71 AromaticContact CH2-CE1 3.86Å; W16-F71 HydrophobicContact CH2-CE1 3.86Å; W16-F71 HydrophobicContact CH2-CZ 4.24Å; W16-F71 HydrophobicContact CZ3-CE1 4.47Å; W16-F71 HydrophobicContact CZ3-CZ 4.42Å; W67-F71 AromaticContact CD1-CD2 3.99Å; W67-F71 AromaticContact CD2-CD2 3.41Å; W67-F71 HydrophobicContact CD2-CD2 3.41Å; W67-F71 VanDerWaalsContact CD2-CD2 3.41Å; W67-F71 AromaticContact CD2-CE2 3.57Å; W67-F71 HydrophobicContact CD2-CE2 3.57Å; W67-F71 AromaticContact CE2-CD2 3.38Å; W67-F71 AromaticContact CE2-CE2 3.76Å; W67-F71 AromaticContact CE3-CD2 3.81Å; W67-F71 HydrophobicContact CE3-CD2 3.81Å; W67-F71 AromaticContact CE3-CE2 3.41Å; W67-F71 HydrophobicContact CE3-CE2 3.41Å; W67-F71 VanDerWaalsContact CE3-CE2 3.41Å; W67-F71 HydrophobicContact CE3-CZ 4.47Å; W67-F71 AromaticContact CG-CD2 3.81Å; W67-F71 HydrophobicContact CG-CD2 3.81Å; W67-F71 HydrophobicContact CG-CE2 4.32Å; W67-F71 HydrophobicContact CH2-CD2 4.12Å; W67-F71 AromaticContact CH2-CE2 3.67Å; W67-F71 HydrophobicContact CH2-CE2 3.67Å; W67-F71 HydrophobicContact CH2-CZ 4.12Å; W67-F71 AromaticContact CZ2-CD2 3.76Å; W67-F71 HydrophobicContact CZ2-CD2 3.76Å; W67-F71 AromaticContact CZ2-CE2 3.82Å; W67-F71 HydrophobicContact CZ2-CE2 3.82Å; W67-F71 HydrophobicContact CZ2-CG 4.37Å; W67-F71 HydrophobicContact CZ2-CZ 4.46Å; W67-F71 HydrophobicContact CZ3-CD2 4.14Å; W67-F71 AromaticContact CZ3-CE2 3.46Å; W67-F71 HydrophobicContact CZ3-CE2 3.46Å; W67-F71 VanDerWaalsContact CZ3-CE2 3.46Å; W67-F71 HydrophobicContact CZ3-CZ 4.13Å; W67-F71 AromaticContact NE1-CD2 3.75Å; W67-F71 WeakPolarHBondContact O-CD2 3.49Å; W67-F71 PolarHBondContact O-N 3.4Å; F71-K73 PolarHBondContact O-N 3.07Å |
| 72 | T | 98.7 | Very high | 96.8 | Very high | 24 Ų | 24 | 62.2 Ų | 62.2 | 15% | 0.147 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -75.4 | 113 | 169.8 | -59 | 0 | 0 | 0 | 0 | 109.3 | K68 N158 N164 F167 | K68-T72 WeakPolarHBondContact O-CB 3.28Å; K68-T72 PolarHBondContact O-N 2.55Å; K68-T72 VanDerWaalsContact O-N 3.15Å; K68-T72 PolarHBondContact O-OG1 2.93Å; T72-N158 PolarHBondContact O-ND2 3.21Å; T72-N164 HydrophobicContact CG2-CB 4.1Å; T72-F167 HydrophobicContact CG2-CD2 4.36Å; T72-F167 HydrophobicContact CG2-CE2 3.97Å; T72-F167 WeakPolarHBondContact OG1-CE2 3.42Å |
| 73 | K | 98.1 | Very high | 96.4 | Very high | 176 Ų | 176 | 62.3 Ų | 62.3 | 77% | 0.765 | 30% | 0.298 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 137.2 | 179.7 | -65.7 | -179.8 | -179 | 176.2 | 0 | 110.8 | F71 A75 S163 | F71-K73 PolarHBondContact O-N 3.07Å; K73-A75 PolarHBondContact O-N 3.45Å; K73-S163 PolarHBondContact O-OG 2.95Å |
| 74 | P | 98 | Very high | 95.9 | Very high | 18 Ų | 18 | 63.2 Ų | 63.2 | 12% | 0.117 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 136.3 | 171.9 | -20.7 | 32.3 | 0 | 0 | 0 | 110.5 | M144 V146 N158 C159 S163 | P74-M144 HydrophobicContact CB-CE 4.1Å; P74-M144 HydrophobicContact CB-SD 4.48Å; P74-V146 HydrophobicContact CB-CG1 3.9Å; P74-V146 HydrophobicContact CB-CG2 4Å; P74-N158 VanDerWaalsContact CD-OD1 3.25Å; P74-N158 WeakPolarHBondContact CD-OD1 3.39Å; P74-N158 WeakPolarHBondContact CG-OD1 3.21Å; P74-C159 HydrophobicContact CB-CB 4.22Å; P74-C159 HydrophobicContact CG-CB 3.72Å; P74-S163 WeakPolarHBondContact CA-OG 3.32Å |
| 75 | A | 97.3 | Very high | 95.4 | Very high | 27 Ų | 27 | 67.3 Ų | 67.3 | 22% | 0.223 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 141.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | K73 L147 S163 | K73-A75 PolarHBondContact O-N 3.45Å; A75-L147 HydrophobicContact CB-CB 4.15Å; A75-L147 HydrophobicContact CB-CD1 3.82Å; A75-L147 HydrophobicContact CB-CG 4.13Å; A75-L147 PolarHBondContact O-N 3.49Å; A75-S163 PolarHBondContact N-OG 2.77Å |
| 76 | N | 95.3 | Very high | 94.9 | Very high | 106 Ų | 106 | 70 Ų | 70 | 57% | 0.567 | 35% | 0.349 | S | S | * | . | trans | -110.6 | 159.1 | 177.3 | 58.1 | 43.8 | 0 | 0 | 0 | 111.1 | M144 L147 | N76-M144 HydrophobicContact CB-CE 3.67Å; N76-L147 WeakPolarHBondContact O-CD1 3.36Å | ||
| 77 | P | 95.2 | Very high | 94.5 | Very high | 17 Ų | 17 | 71 Ų | 71 | 11% | 0.11 | 35% | 0.354 | C | S | . | . | trans | -58.2 | 145 | 173.4 | -23.7 | 34 | 0 | 0 | 0 | 112.5 | F81 V130 P133 C145 L147 | P77-F81 HydrophobicContact CB-CB 4.18Å; P77-V130 HydrophobicContact CB-CG2 3.78Å; P77-V130 HydrophobicContact CG-CG1 4.42Å; P77-V130 HydrophobicContact CG-CG2 4.15Å; P77-P133 HydrophobicContact CB-CG 3.95Å; P77-P133 HydrophobicContact CG-CG 4.14Å; P77-C145 WeakPolarHBondContact CD-O 3.44Å; P77-C145 HydrophobicContact CG-CB 3.8Å; P77-L147 HydrophobicContact CB-CD2 4.43Å; P77-L147 HydrophobicContact CG-CD2 4.01Å | ||
| 78 | S | 92.5 | Very high | 94.1 | Very high | 36 Ų | 36 | 67.4 Ų | 67.4 | 25% | 0.252 | 34% | 0.342 | S | S | . | . | trans | -68.5 | 165.1 | 173.9 | 72.3 | 0 | 0 | 0 | 0 | 111.3 | E80 F81 | S78-E80 PolarHBondContact O-N 3.01Å; S78-E80 VanDerWaalsContact O-N 3.16Å; S78-F81 PolarHBondContact O-N 3.34Å; S78-F81 VanDerWaalsContact O-N 3.16Å; S78-F81 WeakPolarHBondContact OG-CD2 3.46Å | ||
| 79 | K | 90.9 | Very high | 93.8 | Very high | 190 Ų | 190 | 69.4 Ų | 69.4 | 83% | 0.826 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -62.1 | -21 | 179.3 | -67 | -177.5 | 179.5 | 176.5 | 0 | 113.6 | F81 C82 | K79-F81 PolarHBondContact O-N 2.91Å; K79-C82 VanDerWaalsContact O-CB 3.31Å; K79-C82 WeakPolarHBondContact O-CB 3.27Å; K79-C82 PolarHBondContact O-N 3.38Å; K79-C82 VanDerWaalsContact O-N 3.11Å |
| 80 | E | 92 | Very high | 93.5 | Very high | 149 Ų | 149 | 76.2 Ų | 76.2 | 70% | 0.696 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -66.7 | -26.2 | 178.5 | -63.1 | 169.8 | 170.7 | 0 | 0 | 112.2 | S78 C82 | S78-E80 PolarHBondContact O-N 3.01Å; S78-E80 VanDerWaalsContact O-N 3.16Å; E80-C82 VanDerWaalsContact C-N 3.32Å |
| 81 | F | 94.2 | Very high | 93.3 | Very high | 4 Ų | 4 | 76.5 Ų | 76.5 | 2% | 0.018 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -84 | -8.6 | 175.3 | -71.6 | -92.9 | 0 | 0 | 0 | 112.9 | P77 S78 K79 L111 L113 V130 I131 P133 L298 | P77-F81 HydrophobicContact CB-CB 4.18Å; S78-F81 PolarHBondContact O-N 3.34Å; S78-F81 VanDerWaalsContact O-N 3.16Å; S78-F81 WeakPolarHBondContact OG-CD2 3.46Å; K79-F81 PolarHBondContact O-N 2.91Å; F81-L111 HydrophobicContact CD1-CD1 3.82Å; F81-L111 HydrophobicContact CE1-CB 4.43Å; F81-L111 HydrophobicContact CE1-CD1 4.21Å; F81-L111 HydrophobicContact CE1-CD2 4.48Å; F81-L111 HydrophobicContact CG-CD1 4.41Å; F81-L113 HydrophobicContact CE1-CD2 3.89Å; F81-L113 HydrophobicContact CE1-CG 4.47Å; F81-V130 HydrophobicContact CB-CG2 3.66Å; F81-V130 VanDerWaalsContact O-CG2 3.31Å; F81-V130 WeakPolarHBondContact O-CG2 3.29Å; F81-I131 WeakPolarHBondContact CB-O 3.24Å; F81-I131 WeakPolarHBondContact CD1-O 3.35Å; F81-I131 PolarHBondContact O-N 3.1Å; F81-P133 HydrophobicContact CD1-CB 4.26Å; F81-P133 HydrophobicContact CD1-CG 3.61Å; F81-P133 HydrophobicContact CD2-CG 4.13Å; F81-P133 HydrophobicContact CE1-CB 3.84Å; F81-P133 HydrophobicContact CE1-CG 3.65Å; F81-P133 HydrophobicContact CE2-CG 4.17Å; F81-P133 HydrophobicContact CG-CG 3.86Å; F81-P133 HydrophobicContact CZ-CB 4.1Å; F81-P133 HydrophobicContact CZ-CG 3.93Å; F81-L298 HydrophobicContact CD2-CD2 4.19Å; F81-L298 HydrophobicContact CE2-CB 4.11Å; F81-L298 HydrophobicContact CE2-CD1 4.17Å; F81-L298 HydrophobicContact CE2-CD2 3.83Å; F81-L298 HydrophobicContact CE2-CG 4.26Å; F81-L298 HydrophobicContact CZ-CB 4.22Å; F81-L298 HydrophobicContact CZ-CD2 4.49Å |
| 82 | C | 93.1 | Very high | 93 | Very high | 54 Ų | 54 | 77.1 Ų | 77.1 | 37% | 0.365 | 38% | 0.383 | S | S | . | . | B | Isolated β-bridge | trans | -78.3 | 144.3 | 172.4 | -66.4 | 0 | 0 | 0 | 0 | 109.9 | K79 E80 | K79-C82 VanDerWaalsContact O-CB 3.31Å; K79-C82 WeakPolarHBondContact O-CB 3.27Å; K79-C82 PolarHBondContact O-N 3.38Å; K79-C82 VanDerWaalsContact O-N 3.11Å; E80-C82 VanDerWaalsContact C-N 3.32Å |
| 83 | L | 89.6 | Confident | 92.8 | Very high | 14 Ų | 14 | 83.8 Ų | 83.8 | 7% | 0.073 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 132.8 | 172.8 | -70.1 | 176.7 | 0 | 0 | 0 | 110.4 | E87 K88 Y91 L104 A107 Y124 I131 | L83-E87 HydrophobicContact CD2-CB 4.5Å; L83-K88 HydrophobicContact CB-CB 4.02Å; L83-Y91 HydrophobicContact CD1-CG 4.28Å; L83-L104 HydrophobicContact CD1-CD2 4.01Å; L83-L104 HydrophobicContact CD2-CD2 4.13Å; L83-L104 HydrophobicContact CG-CD2 4.49Å; L83-A107 HydrophobicContact CD2-CB 3.58Å; L83-Y124 HydrophobicContact CD1-CE2 3.88Å; L83-Y124 WeakPolarHBondContact CD1-OH 3.48Å; L83-Y124 HydrophobicContact CG-CE2 4.12Å; L83-I131 HydrophobicContact CD2-CD1 3.97Å; L83-I131 HydrophobicContact CD2-CG1 4.36Å |
| 84 | P | 88 | Confident | 92.6 | Very high | 75 Ų | 75 | 77.7 Ų | 77.7 | 49% | 0.487 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -52.7 | 145.5 | 166.6 | -24 | 32.9 | 0 | 0 | 0 | 110.3 | A86 E87 K88 | P84-A86 PolarHBondContact O-N 2.83Å; P84-A86 VanDerWaalsContact O-N 3.09Å; P84-E87 PolarHBondContact O-N 3.23Å; P84-K88 PolarHBondContact O-N 2.88Å |
| 85 | K | 89.5 | Confident | 92.4 | Very high | 177 Ų | 177 | 85.4 Ų | 85.4 | 77% | 0.77 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -49.2 | -44.9 | -174.9 | -67.6 | -176.7 | 179.5 | -179.5 | 0 | 113.2 | E87 K88 E89 | K85-E87 VanDerWaalsContact C-N 3.34Å; K85-E87 PolarHBondContact O-N 2.62Å; K85-K88 WeakPolarHBondContact O-CB 3.08Å; K85-K88 PolarHBondContact O-N 3.06Å; K85-E89 WeakPolarHBondContact O-CG 3.32Å; K85-E89 PolarHBondContact O-N 3.19Å |
| 86 | A | 88.9 | Confident | 92.3 | Very high | 58 Ų | 58 | 90.6 Ų | 90.6 | 48% | 0.479 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -66.8 | -30.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | P84 R90 | P84-A86 PolarHBondContact O-N 2.83Å; P84-A86 VanDerWaalsContact O-N 3.09Å; A86-R90 WeakPolarHBondContact O-CG 3.29Å; A86-R90 PolarHBondContact O-N 3.16Å; A86-R90 PolarHBondContact O-NE 2.94Å |
| 87 | E | 89.8 | Confident | 92.1 | Very high | 40 Ų | 40 | 90.1 Ų | 90.1 | 19% | 0.187 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -79.8 | -36.5 | 174.3 | -71 | -173.1 | 175 | 0 | 0 | 111.7 | L83 P84 K85 R90 Y91 I103 A107 | L83-E87 HydrophobicContact CD2-CB 4.5Å; P84-E87 PolarHBondContact O-N 3.23Å; K85-E87 VanDerWaalsContact C-N 3.34Å; K85-E87 PolarHBondContact O-N 2.62Å; E87-R90 VanDerWaalsContact CG-NH2 3.34Å; E87-R90 PolarHBondContact O-N 3.41Å; E87-Y91 WeakPolarHBondContact O-CB 3.43Å; E87-Y91 PolarHBondContact O-N 3.3Å; E87-I103 HydrophobicContact CB-CG2 4.31Å; E87-A107 WeakPolarHBondContact OE2-CB 3.5Å |
| 88 | K | 90.9 | Very high | 92 | Very high | 76 Ų | 76 | 96.8 Ų | 96.8 | 33% | 0.33 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -58.7 | -49.7 | 173.3 | -176.9 | -177.1 | 169.6 | -175.6 | 0 | 111.4 | L83 P84 K85 R90 Y91 E92 | L83-K88 HydrophobicContact CB-CB 4.02Å; P84-K88 PolarHBondContact O-N 2.88Å; K85-K88 WeakPolarHBondContact O-CB 3.08Å; K85-K88 PolarHBondContact O-N 3.06Å; K88-R90 VanDerWaalsContact C-N 3.26Å; K88-R90 PolarHBondContact O-N 3.43Å; K88-Y91 PolarHBondContact O-N 3.34Å; K88-E92 WeakPolarHBondContact CE-OE1 3.38Å; K88-E92 HydrophobicContact CG-CG 4.48Å; K88-E92 IonicContact NZ-OE1 3.65Å; K88-E92 WeakPolarHBondContact O-CG 3.36Å; K88-E92 PolarHBondContact O-N 3.22Å |
| 89 | E | 92.6 | Very high | 92 | Very high | 105 Ų | 105 | 95.7 Ų | 95.7 | 49% | 0.491 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.8 | -35.5 | 177.6 | -73.5 | 175.4 | -156.6 | 0 | 0 | 112.4 | K85 K93 | K85-E89 WeakPolarHBondContact O-CG 3.32Å; K85-E89 PolarHBondContact O-N 3.19Å; E89-K93 WeakPolarHBondContact O-CB 3.4Å; E89-K93 WeakPolarHBondContact O-CD 3.43Å; E89-K93 VanDerWaalsContact O-CG 3.23Å; E89-K93 WeakPolarHBondContact O-CG 3.49Å; E89-K93 PolarHBondContact O-N 3.11Å |
| 90 | R | 92.5 | Very high | 92.2 | Very high | 143 Ų | 143 | 89 Ų | 89 | 54% | 0.54 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -68.2 | -43.2 | 174.5 | -79 | -178.6 | -77.8 | 178 | 0.7 | 111.8 | A86 E87 K88 K93 E94 I103 | A86-R90 WeakPolarHBondContact O-CG 3.29Å; A86-R90 PolarHBondContact O-N 3.16Å; A86-R90 PolarHBondContact O-NE 2.94Å; E87-R90 VanDerWaalsContact CG-NH2 3.34Å; E87-R90 PolarHBondContact O-N 3.41Å; K88-R90 VanDerWaalsContact C-N 3.26Å; K88-R90 PolarHBondContact O-N 3.43Å; R90-K93 PolarHBondContact O-N 2.98Å; R90-E94 WeakPolarHBondContact O-CB 3.5Å; R90-E94 PolarHBondContact O-N 3.39Å; R90-E94 VanDerWaalsContact O-N 3.11Å; R90-I103 HydrophobicContact CB-CD1 4.16Å |
| 91 | Y | 93.5 | Very high | 92.3 | Very high | 21 Ų | 21 | 83.7 Ų | 83.7 | 8% | 0.082 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -61.8 | -44.8 | 176.9 | 178.9 | -90.9 | 0 | 0 | 0 | 111.7 | L83 E87 K88 K93 E94 Q100 L104 Y124 D126 | L83-Y91 HydrophobicContact CD1-CG 4.28Å; E87-Y91 WeakPolarHBondContact O-CB 3.43Å; E87-Y91 PolarHBondContact O-N 3.3Å; K88-Y91 PolarHBondContact O-N 3.34Å; Y91-K93 VanDerWaalsContact C-N 3.32Å; Y91-K93 PolarHBondContact O-N 3.09Å; Y91-E94 PolarHBondContact O-N 2.98Å; Y91-Q100 HydrophobicContact CD2-CB 3.97Å; Y91-Q100 HydrophobicContact CD2-CG 4.12Å; Y91-Q100 HydrophobicContact CE2-CB 3.71Å; Y91-Q100 HydrophobicContact CE2-CG 4.05Å; Y91-Q100 PolarHBondContact O-NE2 2.86Å; Y91-L104 HydrophobicContact CD2-CD2 4.09Å; Y91-L104 HydrophobicContact CD2-CG 4.09Å; Y91-L104 HydrophobicContact CE2-CD1 3.77Å; Y91-L104 HydrophobicContact CE2-CD2 3.98Å; Y91-L104 HydrophobicContact CE2-CG 3.82Å; Y91-Y124 HydrophobicContact CD1-CE1 4.38Å; Y91-Y124 HydrophobicContact CE1-CD1 4.31Å; Y91-Y124 AromaticContact CE1-CE1 3.59Å; Y91-Y124 HydrophobicContact CE1-CE1 3.59Å; Y91-Y124 HydrophobicContact CE2-CD1 4.46Å; Y91-Y124 HydrophobicContact CE2-CE1 4.35Å; Y91-Y124 AromaticContact CZ-CD1 3.82Å; Y91-Y124 AromaticContact CZ-CE1 3.57Å; Y91-Y124 WeakPolarHBondContact OH-CD1 3.5Å; Y91-Y124 WeakPolarHBondContact OH-CE1 3.3Å; Y91-D126 PolarHBondContact OH-OD1 3.01Å |
| 92 | E | 93 | Very high | 92.3 | Very high | 110 Ų | 110 | 87.9 Ų | 87.9 | 51% | 0.514 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -68.3 | -28.1 | -179.7 | -72.1 | 176.6 | 165.2 | 0 | 0 | 113.3 | K88 | K88-E92 WeakPolarHBondContact CE-OE1 3.38Å; K88-E92 HydrophobicContact CG-CG 4.48Å; K88-E92 IonicContact NZ-OE1 3.65Å; K88-E92 WeakPolarHBondContact O-CG 3.36Å; K88-E92 PolarHBondContact O-N 3.22Å |
| 93 | K | 94.1 | Very high | 92.3 | Very high | 163 Ų | 163 | 86.2 Ų | 86.2 | 71% | 0.709 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -85.6 | -21.3 | 177.6 | -72.7 | 173 | -175.2 | 172.1 | 0 | 113.8 | E89 R90 Y91 | E89-K93 WeakPolarHBondContact O-CB 3.4Å; E89-K93 WeakPolarHBondContact O-CD 3.43Å; E89-K93 VanDerWaalsContact O-CG 3.23Å; E89-K93 WeakPolarHBondContact O-CG 3.49Å; E89-K93 PolarHBondContact O-N 3.11Å; R90-K93 PolarHBondContact O-N 2.98Å; Y91-K93 VanDerWaalsContact C-N 3.32Å; Y91-K93 PolarHBondContact O-N 3.09Å |
| 94 | E | 94.5 | Very high | 92.6 | Very high | 49 Ų | 49 | 85.8 Ų | 85.8 | 23% | 0.229 | 41% | 0.409 | C | S | . | . | trans | -81.4 | 126.5 | -178.8 | -179.4 | 61.6 | -102.9 | 0 | 0 | 110.1 | R90 Y91 R96 S99 Q100 I103 | R90-E94 WeakPolarHBondContact O-CB 3.5Å; R90-E94 PolarHBondContact O-N 3.39Å; R90-E94 VanDerWaalsContact O-N 3.11Å; Y91-E94 PolarHBondContact O-N 2.98Å; E94-R96 WeakPolarHBondContact OE1-CB 3.23Å; E94-R96 IonicContact OE1-CZ 2.75Å; E94-R96 PolarHBondContact OE1-N 3.19Å; E94-R96 IonicContact OE1-NE 3.62Å; E94-R96 PolarHBondContact OE1-NE 2.84Å; E94-R96 IonicContact OE1-NH2 3.59Å; E94-R96 IonicContact OE2-CZ 3.78Å; E94-R96 IonicContact OE2-NH2 3.96Å; E94-R96 PolarHBondContact OE2-NH2 3.45Å; E94-S99 WeakPolarHBondContact OE2-CB 3.28Å; E94-Q100 HydrophobicContact CB-CG 4.02Å; E94-Q100 HydrophobicContact CG-CG 3.92Å; E94-Q100 PolarHBondContact O-NE2 2.86Å; E94-I103 HydrophobicContact CB-CD1 4.45Å | ||
| 95 | E | 93.2 | Very high | 92.8 | Very high | 180 Ų | 180 | 87.3 Ų | 87.3 | 84% | 0.841 | 41% | 0.405 | S | S | * | . | trans | -92.9 | -24 | 179.5 | -63.9 | -176.4 | 172.7 | 0 | 0 | 112 | P97 | E95-P97 WeakPolarHBondContact O-CD 3.41Š| ||
| 96 | R | 94.7 | Very high | 92.9 | Very high | 135 Ų | 135 | 86 Ų | 86 | 51% | 0.509 | 40% | 0.395 | S | S | . | . | trans | -81.8 | 120.6 | -177.1 | -65.5 | 178.6 | -62.9 | 113.2 | 12.5 | 110.9 | E94 E98 S99 Q100 | E94-R96 WeakPolarHBondContact OE1-CB 3.23Å; E94-R96 IonicContact OE1-CZ 2.75Å; E94-R96 PolarHBondContact OE1-N 3.19Å; E94-R96 IonicContact OE1-NE 3.62Å; E94-R96 PolarHBondContact OE1-NE 2.84Å; E94-R96 IonicContact OE1-NH2 3.59Å; E94-R96 IonicContact OE2-CZ 3.78Å; E94-R96 IonicContact OE2-NH2 3.96Å; E94-R96 PolarHBondContact OE2-NH2 3.45Å; R96-E98 VanDerWaalsContact C-N 3.27Å; R96-E98 PolarHBondContact O-N 3.25Å; R96-S99 PolarHBondContact NH1-OG 2.84Å; R96-S99 PolarHBondContact NH2-OG 3.37Å; R96-S99 PolarHBondContact O-N 3.44Å; R96-S99 VanDerWaalsContact O-N 3.16Å; R96-Q100 PolarHBondContact O-N 3.26Å | ||
| 97 | P | 91.4 | Very high | 93.1 | Very high | 97 Ų | 97 | 83.9 Ų | 83.9 | 63% | 0.63 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -59.3 | -34.1 | -177.9 | -26.3 | 35.2 | 0 | 0 | 0 | 114.2 | E95 Q101 | E95-P97 WeakPolarHBondContact O-CD 3.41Å; P97-Q101 WeakPolarHBondContact O-CB 3.47Å; P97-Q101 PolarHBondContact O-N 3.4Å |
| 98 | E | 92.7 | Very high | 93.1 | Very high | 157 Ų | 157 | 82.2 Ų | 82.2 | 73% | 0.734 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -64.6 | -43.9 | 178.6 | -63.9 | -179.9 | 173.4 | 0 | 0 | 111.6 | R96 Q101 E102 | R96-E98 VanDerWaalsContact C-N 3.27Å; R96-E98 PolarHBondContact O-N 3.25Å; E98-Q101 WeakPolarHBondContact O-CB 3.42Å; E98-Q101 PolarHBondContact O-N 2.91Å; E98-E102 PolarHBondContact O-N 3.2Å |
| 99 | S | 94.1 | Very high | 93 | Very high | 13 Ų | 13 | 83 Ų | 83 | 9% | 0.091 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -74.4 | -33.3 | 178.6 | -69.2 | 0 | 0 | 0 | 0 | 112.8 | E94 R96 Q101 E102 I103 | E94-S99 WeakPolarHBondContact OE2-CB 3.28Å; R96-S99 PolarHBondContact NH1-OG 2.84Å; R96-S99 PolarHBondContact NH2-OG 3.37Å; R96-S99 PolarHBondContact O-N 3.44Å; R96-S99 VanDerWaalsContact O-N 3.16Å; S99-Q101 PolarHBondContact O-N 3.45Å; S99-E102 PolarHBondContact O-N 2.81Å; S99-I103 WeakPolarHBondContact O-CG1 3.26Å; S99-I103 PolarHBondContact O-N 3.26Å; S99-I103 VanDerWaalsContact O-N 3.1Å |
| 100 | Q | 94.3 | Very high | 92.8 | Very high | 48 Ų | 48 | 83.8 Ų | 83.8 | 22% | 0.224 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -56.1 | -44.1 | 166.2 | -74.9 | -177.1 | -23.5 | 0 | 0 | 111 | Y91 E94 R96 E102 I103 L104 | Y91-Q100 HydrophobicContact CD2-CB 3.97Å; Y91-Q100 HydrophobicContact CD2-CG 4.12Å; Y91-Q100 HydrophobicContact CE2-CB 3.71Å; Y91-Q100 HydrophobicContact CE2-CG 4.05Å; Y91-Q100 PolarHBondContact O-NE2 2.86Å; E94-Q100 HydrophobicContact CB-CG 4.02Å; E94-Q100 HydrophobicContact CG-CG 3.92Å; E94-Q100 PolarHBondContact O-NE2 2.86Å; R96-Q100 PolarHBondContact O-N 3.26Å; Q100-E102 PolarHBondContact O-N 2.89Å; Q100-I103 WeakPolarHBondContact O-CB 3.37Å; Q100-I103 PolarHBondContact O-N 3.34Å; Q100-L104 WeakPolarHBondContact O-CG 3.42Å; Q100-L104 PolarHBondContact O-N 2.82Å; Q100-L104 VanDerWaalsContact O-N 3.07Å |
| 101 | Q | 94.1 | Very high | 92.8 | Very high | 38 Ų | 38 | 78.2 Ų | 78.2 | 18% | 0.178 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -68.3 | -34.9 | -179.4 | -172.8 | 46.7 | 42.1 | 0 | 0 | 112.8 | P97 E98 S99 L104 W105 A121 I122 | P97-Q101 WeakPolarHBondContact O-CB 3.47Å; P97-Q101 PolarHBondContact O-N 3.4Å; E98-Q101 WeakPolarHBondContact O-CB 3.42Å; E98-Q101 PolarHBondContact O-N 2.91Å; S99-Q101 PolarHBondContact O-N 3.45Å; Q101-L104 PolarHBondContact O-N 2.86Å; Q101-W105 WeakPolarHBondContact O-CB 3.19Å; Q101-W105 PolarHBondContact O-N 3.33Å; Q101-A121 HydrophobicContact CG-CB 4.2Å; Q101-I122 VanDerWaalsContact NE2-CB 3.32Å; Q101-I122 VanDerWaalsContact NE2-CG1 3.28Å |
| 102 | E | 93.8 | Very high | 92.6 | Very high | 92 Ų | 92 | 79.7 Ų | 79.7 | 43% | 0.43 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 170.3 | -74.2 | -179.1 | -156.2 | 0 | 0 | 112.9 | E98 S99 Q100 L104 W105 R106 | E98-E102 PolarHBondContact O-N 3.2Å; S99-E102 PolarHBondContact O-N 2.81Å; Q100-E102 PolarHBondContact O-N 2.89Å; E102-L104 VanDerWaalsContact C-N 3.34Å; E102-W105 PolarHBondContact O-N 3.25Å; E102-R106 WeakPolarHBondContact O-CG 3.29Å; E102-R106 PolarHBondContact O-N 2.75Å; E102-R106 IonicContact OE2-CZ 3.97Å; E102-R106 IonicContact OE2-NH1 3.78Å; E102-R106 IonicContact OE2-NH2 3.02Å; E102-R106 PolarHBondContact OE2-NH2 3.5Å |
| 103 | I | 93.8 | Very high | 92.6 | Very high | 20 Ų | 20 | 75.2 Ų | 75.2 | 10% | 0.103 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60 | -49 | 176.5 | -65.1 | 163.7 | 0 | 0 | 0 | 109.3 | E87 R90 E94 S99 Q100 W105 R106 A107 | E87-I103 HydrophobicContact CB-CG2 4.31Å; R90-I103 HydrophobicContact CB-CD1 4.16Å; E94-I103 HydrophobicContact CB-CD1 4.45Å; S99-I103 WeakPolarHBondContact O-CG1 3.26Å; S99-I103 PolarHBondContact O-N 3.26Å; S99-I103 VanDerWaalsContact O-N 3.1Å; Q100-I103 WeakPolarHBondContact O-CB 3.37Å; Q100-I103 PolarHBondContact O-N 3.34Å; I103-W105 VanDerWaalsContact C-N 3.29Å; I103-W105 PolarHBondContact O-N 3.47Å; I103-R106 PolarHBondContact O-N 2.7Å; I103-A107 WeakPolarHBondContact O-CB 3.42Å; I103-A107 PolarHBondContact O-N 3.03Å |
| 104 | L | 95.1 | Very high | 92.6 | Very high | 5 Ų | 5 | 71.1 Ų | 71.1 | 3% | 0.026 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.1 | -37.4 | 177.1 | -65.4 | 177.5 | 0 | 0 | 0 | 112.4 | L83 Y91 Q100 Q101 E102 A108 I122 Y124 I131 | L83-L104 HydrophobicContact CD1-CD2 4.01Å; L83-L104 HydrophobicContact CD2-CD2 4.13Å; L83-L104 HydrophobicContact CG-CD2 4.49Å; Y91-L104 HydrophobicContact CD2-CD2 4.09Å; Y91-L104 HydrophobicContact CD2-CG 4.09Å; Y91-L104 HydrophobicContact CE2-CD1 3.77Å; Y91-L104 HydrophobicContact CE2-CD2 3.98Å; Y91-L104 HydrophobicContact CE2-CG 3.82Å; Q100-L104 WeakPolarHBondContact O-CG 3.42Å; Q100-L104 PolarHBondContact O-N 2.82Å; Q100-L104 VanDerWaalsContact O-N 3.07Å; Q101-L104 PolarHBondContact O-N 2.86Å; E102-L104 VanDerWaalsContact C-N 3.34Å; L104-A108 WeakPolarHBondContact O-CB 3.46Å; L104-A108 PolarHBondContact O-N 3.25Å; L104-I122 HydrophobicContact CB-CB 4.08Å; L104-I122 HydrophobicContact CB-CG1 4.41Å; L104-I122 HydrophobicContact CB-CG2 4.14Å; L104-Y124 HydrophobicContact CD1-CD1 4.36Å; L104-Y124 HydrophobicContact CD1-CD2 4.49Å; L104-Y124 HydrophobicContact CD1-CG 3.96Å; L104-Y124 HydrophobicContact CD2-CD1 4.4Å; L104-Y124 HydrophobicContact CD2-CD2 3.58Å; L104-Y124 HydrophobicContact CD2-CE2 3.89Å; L104-Y124 HydrophobicContact CD2-CG 3.86Å; L104-I131 HydrophobicContact CD2-CG1 4.4Å |
| 105 | W | 92.7 | Very high | 92.7 | Very high | 106 Ų | 106 | 69.1 Ų | 69.1 | 40% | 0.402 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.9 | -44.3 | 176.3 | -91.9 | 118.3 | 0 | 0 | 0 | 112.7 | Q101 E102 I103 A108 S109 I122 | Q101-W105 WeakPolarHBondContact O-CB 3.19Å; Q101-W105 PolarHBondContact O-N 3.33Å; E102-W105 PolarHBondContact O-N 3.25Å; I103-W105 VanDerWaalsContact C-N 3.29Å; I103-W105 PolarHBondContact O-N 3.47Å; W105-A108 PolarHBondContact O-N 3.27Å; W105-S109 PolarHBondContact O-N 3.37Å; W105-S109 VanDerWaalsContact O-N 3.11Å; W105-I122 HydrophobicContact CD2-CD1 3.88Å; W105-I122 HydrophobicContact CD2-CG1 3.71Å; W105-I122 HydrophobicContact CE3-CD1 3.78Å; W105-I122 HydrophobicContact CE3-CG1 4.13Å; W105-I122 HydrophobicContact CG-CG1 3.93Å; W105-I122 HydrophobicContact CH2-CD1 4.34Å; W105-I122 HydrophobicContact CZ2-CD1 4.36Å; W105-I122 HydrophobicContact CZ3-CD1 4.05Å |
| 106 | R | 91.8 | Very high | 92.8 | Very high | 151 Ų | 151 | 61.6 Ų | 61.6 | 57% | 0.57 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -61.6 | -47.3 | 175.8 | -69.4 | -177.6 | -166.1 | 105.6 | 7.2 | 110.6 | E102 I103 A108 S109 | E102-R106 WeakPolarHBondContact O-CG 3.29Å; E102-R106 PolarHBondContact O-N 2.75Å; E102-R106 IonicContact OE2-CZ 3.97Å; E102-R106 IonicContact OE2-NH1 3.78Å; E102-R106 IonicContact OE2-NH2 3.02Å; E102-R106 PolarHBondContact OE2-NH2 3.5Å; I103-R106 PolarHBondContact O-N 2.7Å; R106-A108 VanDerWaalsContact C-N 3.32Å; R106-A108 PolarHBondContact O-N 3.47Å; R106-S109 WeakPolarHBondContact O-CB 3.35Å; R106-S109 PolarHBondContact O-N 3.36Å; R106-S109 PolarHBondContact O-OG 3.01Å |
| 107 | A | 91.7 | Very high | 92.8 | Very high | 13 Ų | 13 | 57.4 Ų | 57.4 | 11% | 0.107 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.2 | -40.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L83 E87 I103 S109 T110 I131 | L83-A107 HydrophobicContact CD2-CB 3.58Å; E87-A107 WeakPolarHBondContact OE2-CB 3.5Å; I103-A107 WeakPolarHBondContact O-CB 3.42Å; I103-A107 PolarHBondContact O-N 3.03Å; A107-S109 VanDerWaalsContact C-N 3.31Å; A107-S109 PolarHBondContact O-N 3.45Å; A107-T110 PolarHBondContact O-OG1 3.04Å; A107-I131 HydrophobicContact CB-CD1 3.69Å |
| 108 | A | 91.8 | Very high | 92.8 | Very high | 4 Ų | 4 | 56.4 Ų | 56.4 | 3% | 0.033 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -75.7 | -15.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L104 W105 R106 T110 L111 L113 I122 I131 | L104-A108 WeakPolarHBondContact O-CB 3.46Å; L104-A108 PolarHBondContact O-N 3.25Å; W105-A108 PolarHBondContact O-N 3.27Å; R106-A108 VanDerWaalsContact C-N 3.32Å; R106-A108 PolarHBondContact O-N 3.47Å; A108-T110 PolarHBondContact O-N 3.18Å; A108-L111 PolarHBondContact O-N 3Å; A108-L113 HydrophobicContact CB-CD1 3.9Å; A108-I122 HydrophobicContact CB-CD1 3.56Å; A108-I122 HydrophobicContact CB-CG1 4.11Å; A108-I122 HydrophobicContact CB-CG2 4.3Å; A108-I131 HydrophobicContact CB-CD1 4.29Å |
| 109 | S | 88.6 | Confident | 92.7 | Very high | 94 Ų | 94 | 53.6 Ų | 53.6 | 66% | 0.657 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -25.7 | -174.9 | 67 | 0 | 0 | 0 | 0 | 113.7 | W105 R106 A107 | W105-S109 PolarHBondContact O-N 3.37Å; W105-S109 VanDerWaalsContact O-N 3.11Å; R106-S109 WeakPolarHBondContact O-CB 3.35Å; R106-S109 PolarHBondContact O-N 3.36Å; R106-S109 PolarHBondContact O-OG 3.01Å; A107-S109 VanDerWaalsContact C-N 3.31Å; A107-S109 PolarHBondContact O-N 3.45Å |
| 110 | T | 87.2 | Confident | 92.6 | Very high | 121 Ų | 121 | 54.6 Ų | 54.6 | 74% | 0.742 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -4.2 | 177.1 | 56.6 | 0 | 0 | 0 | 0 | 113.2 | A107 A108 | A107-T110 PolarHBondContact O-OG1 3.04Å; A108-T110 PolarHBondContact O-N 3.18Å |
| 111 | L | 92.3 | Very high | 92.6 | Very high | 25 Ų | 25 | 53.5 Ų | 53.5 | 13% | 0.131 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -100.9 | 144 | -175.2 | -61.3 | 177.7 | 0 | 0 | 0 | 111.8 | F81 A108 L113 I131 | F81-L111 HydrophobicContact CD1-CD1 3.82Å; F81-L111 HydrophobicContact CE1-CB 4.43Å; F81-L111 HydrophobicContact CE1-CD1 4.21Å; F81-L111 HydrophobicContact CE1-CD2 4.48Å; F81-L111 HydrophobicContact CG-CD1 4.41Å; A108-L111 PolarHBondContact O-N 3Å; L111-L113 VanDerWaalsContact C-N 3.26Å; L111-L113 HydrophobicContact CB-CD1 3.8Å; L111-L113 HydrophobicContact CB-CG 3.86Å; L111-L113 HydrophobicContact CD1-CD1 4.12Å; L111-L113 PolarHBondContact O-N 3.43Å; L111-I131 HydrophobicContact CD1-CB 4.28Å; L111-I131 HydrophobicContact CD1-CD1 4.12Å; L111-I131 HydrophobicContact CD1-CG2 4.2Å |
| 112 | P | 90.8 | Very high | 92.7 | Very high | 53 Ų | 53 | 52 Ų | 52 | 34% | 0.344 | 31% | 0.311 | S | S | . | . | trans | -76.4 | 71.9 | 178.7 | 32.4 | -36.6 | 0 | 0 | 0 | 111.6 | T299 | P112-T299 HydrophobicContact CB-CG2 3.76Å; P112-T299 HydrophobicContact CG-CG2 3.33Å | ||
| 113 | L | 93.1 | Very high | 92.8 | Very high | 15 Ų | 15 | 49 Ų | 49 | 8% | 0.079 | 30% | 0.296 | C | S | . | . | trans | -115.6 | 112.3 | -173.5 | -66.7 | 172.8 | 0 | 0 | 0 | 112.7 | F81 A108 L111 R116 I131 | F81-L113 HydrophobicContact CE1-CD2 3.89Å; F81-L113 HydrophobicContact CE1-CG 4.47Å; A108-L113 HydrophobicContact CB-CD1 3.9Å; L111-L113 VanDerWaalsContact C-N 3.26Å; L111-L113 HydrophobicContact CB-CD1 3.8Å; L111-L113 HydrophobicContact CB-CG 3.86Å; L111-L113 HydrophobicContact CD1-CD1 4.12Å; L111-L113 PolarHBondContact O-N 3.43Å; L113-R116 PolarHBondContact O-NH1 2.85Å; L113-I131 HydrophobicContact CD1-CG2 3.55Å | ||
| 114 | Y | 93.6 | Very high | 93 | Very high | 78 Ų | 78 | 48.9 Ų | 48.9 | 31% | 0.306 | 29% | 0.294 | S | S | . | . | trans | -97 | -20.2 | 179.7 | -52.8 | -73.5 | 0 | 0 | 0 | 113.3 | D134 T302 | Y114-D134 WeakPolarHBondContact CB-OD2 3.44Å; Y114-D134 VanDerWaalsContact CD2-OD2 3.23Å; Y114-D134 WeakPolarHBondContact CD2-OD2 3.39Å; Y114-D134 PolarHBondContact N-OD1 2.78Å; Y114-D134 PolarHBondContact N-OD2 3.02Å; Y114-T302 HydrophobicContact CD2-CG2 3.88Å; Y114-T302 HydrophobicContact CE2-CG2 4.44Å; Y114-T302 HydrophobicContact CG-CG2 4.07Å | ||
| 115 | T | 95.6 | Very high | 93 | Very high | 6 Ų | 6 | 49 Ų | 49 | 4% | 0.037 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 155.5 | -175.2 | 70.5 | 0 | 0 | 0 | 0 | 114.4 | R123 D134 P256 V257 F258 F267 | T115-R123 WeakPolarHBondContact OG1-CD 3.44Å; T115-R123 PolarHBondContact OG1-NH1 3.49Å; T115-D134 VanDerWaalsContact CB-OD1 3.28Å; T115-D134 WeakPolarHBondContact CB-OD1 3.44Å; T115-D134 HydrophobicContact CG2-CB 4.39Å; T115-D134 WeakPolarHBondContact CG2-OD1 3.39Å; T115-D134 PolarHBondContact N-OD1 3.35Å; T115-D134 PolarHBondContact OG1-OD1 3.32Å; T115-P256 HydrophobicContact CG2-CB 4.11Å; T115-V257 CarbonylContact C-O 3.36Å; T115-V257 WeakPolarHBondContact CA-O 3.34Å; T115-F258 HydrophobicContact CG2-CD1 4.26Å; T115-F258 HydrophobicContact CG2-CE1 3.95Å; T115-F258 HydrophobicContact CG2-CZ 4.16Å; T115-F267 HydrophobicContact CG2-CE2 4.18Å; T115-F267 HydrophobicContact CG2-CZ 3.71Å |
| 116 | R | 94.9 | Very high | 93.1 | Very high | 22 Ų | 22 | 48.4 Ų | 48.4 | 8% | 0.083 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 174 | -179.5 | -62.9 | -61.8 | -179.9 | -89.1 | 4.7 | 111.7 | L113 A121 V257 | L113-R116 PolarHBondContact O-NH1 2.85Å; R116-A121 WeakPolarHBondContact CA-O 3.32Å; R116-A121 WeakPolarHBondContact CB-O 3.08Å; R116-A121 WeakPolarHBondContact CD-O 3.47Å; R116-V257 PolarHBondContact N-O 3.29Å |
| 117 | T | 95.2 | Very high | 93.1 | Very high | 47 Ų | 47 | 49.4 Ų | 49.4 | 29% | 0.288 | 30% | 0.304 | S | S | . | . | trans | -71.3 | 169.8 | 168.7 | 70.7 | 0 | 0 | 0 | 0 | 110.5 | A119 G120 A121 R123 | T117-A119 PolarHBondContact O-N 3.27Å; T117-A119 VanDerWaalsContact O-N 3.16Å; T117-A119 PolarHBondContact OG1-N 2.84Å; T117-G120 PolarHBondContact O-N 3.31Å; T117-A121 HydrophobicContact CG2-CB 4.29Å; T117-A121 PolarHBondContact N-O 3.21Å; T117-A121 WeakPolarHBondContact OG1-CB 3.46Å; T117-A121 PolarHBondContact OG1-N 2.74Å; T117-A121 PolarHBondContact OG1-O 2.96Å; T117-R123 HydrophobicContact CG2-CG 3.93Å | ||
| 118 | G | 91.3 | Very high | 93.3 | Very high | 77 Ų | 77 | 50.9 Ų | 50.9 | 79% | 0.794 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -25.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 119 | A | 91.8 | Very high | 93.4 | Very high | 97 Ų | 97 | 52.6 Ų | 52.6 | 80% | 0.802 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | 8.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | T117 A121 | T117-A119 PolarHBondContact O-N 3.27Å; T117-A119 VanDerWaalsContact O-N 3.16Å; T117-A119 PolarHBondContact OG1-N 2.84Å; A119-A121 VanDerWaalsContact C-N 3.3Å; A119-A121 PolarHBondContact O-N 2.79Å |
| 120 | G | 91.3 | Very high | 93.7 | Very high | 35 Ų | 35 | 48.3 Ų | 48.3 | 36% | 0.361 | 29% | 0.29 | S | S | . | . | S | Bend | trans | 80.4 | 0.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | T117 | T117-G120 PolarHBondContact O-N 3.31Š|
| 121 | A | 94.1 | Very high | 94.2 | Very high | 25 Ų | 25 | 42.7 Ų | 42.7 | 21% | 0.207 | 26% | 0.255 | C | S | . | . | trans | -74.1 | 161.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q101 R116 T117 A119 | Q101-A121 HydrophobicContact CG-CB 4.2Å; R116-A121 WeakPolarHBondContact CA-O 3.32Å; R116-A121 WeakPolarHBondContact CB-O 3.08Å; R116-A121 WeakPolarHBondContact CD-O 3.47Å; T117-A121 HydrophobicContact CG2-CB 4.29Å; T117-A121 PolarHBondContact N-O 3.21Å; T117-A121 WeakPolarHBondContact OG1-CB 3.46Å; T117-A121 PolarHBondContact OG1-N 2.74Å; T117-A121 PolarHBondContact OG1-O 2.96Å; A119-A121 VanDerWaalsContact C-N 3.3Å; A119-A121 PolarHBondContact O-N 2.79Å | ||
| 122 | I | 95.9 | Very high | 94.5 | Very high | 5 Ų | 5 | 43.7 Ų | 43.7 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | trans | -64.3 | 134.4 | 171.1 | -66.4 | -65.8 | 0 | 0 | 0 | 109 | Q101 L104 W105 A108 Y124 I131 | Q101-I122 VanDerWaalsContact NE2-CB 3.32Å; Q101-I122 VanDerWaalsContact NE2-CG1 3.28Å; L104-I122 HydrophobicContact CB-CB 4.08Å; L104-I122 HydrophobicContact CB-CG1 4.41Å; L104-I122 HydrophobicContact CB-CG2 4.14Å; W105-I122 HydrophobicContact CD2-CD1 3.88Å; W105-I122 HydrophobicContact CD2-CG1 3.71Å; W105-I122 HydrophobicContact CE3-CD1 3.78Å; W105-I122 HydrophobicContact CE3-CG1 4.13Å; W105-I122 HydrophobicContact CG-CG1 3.93Å; W105-I122 HydrophobicContact CH2-CD1 4.34Å; W105-I122 HydrophobicContact CZ2-CD1 4.36Å; W105-I122 HydrophobicContact CZ3-CD1 4.05Å; A108-I122 HydrophobicContact CB-CD1 3.56Å; A108-I122 HydrophobicContact CB-CG1 4.11Å; A108-I122 HydrophobicContact CB-CG2 4.3Å; I122-Y124 PolarHBondContact O-N 3.43Å; I122-Y124 VanDerWaalsContact O-N 3.09Å; I122-I131 HydrophobicContact CG2-CG2 3.75Å | ||
| 123 | R | 96.9 | Very high | 94.8 | Very high | 29 Ų | 29 | 41.1 Ų | 41.1 | 11% | 0.109 | 24% | 0.242 | C | C | . | . | trans | -77.2 | 99.2 | 179.9 | -64.2 | 169.1 | 66.7 | -125.2 | -7.7 | 108.4 | T115 T117 K132 P133 C136 | T115-R123 WeakPolarHBondContact OG1-CD 3.44Å; T115-R123 PolarHBondContact OG1-NH1 3.49Å; T117-R123 HydrophobicContact CG2-CG 3.93Å; R123-K132 HydrophobicContact CB-CB 4.1Å; R123-K132 HydrophobicContact CB-CD 4.33Å; R123-K132 WeakPolarHBondContact O-CB 3.47Å; R123-K132 PolarHBondContact O-N 3.15Å; R123-P133 PolarHBondContact NH1-O 2.94Å; R123-C136 PolarHBondContact NH2-O 2.84Å | ||
| 124 | Y | 96.9 | Very high | 95 | Very high | 19 Ų | 19 | 40.4 Ų | 40.4 | 8% | 0.075 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 157.2 | 178.6 | -173.1 | -113.8 | 0 | 0 | 0 | 112.4 | L83 Y91 L104 I122 D126 Q129 V130 I131 K132 | L83-Y124 HydrophobicContact CD1-CE2 3.88Å; L83-Y124 WeakPolarHBondContact CD1-OH 3.48Å; L83-Y124 HydrophobicContact CG-CE2 4.12Å; Y91-Y124 HydrophobicContact CD1-CE1 4.38Å; Y91-Y124 HydrophobicContact CE1-CD1 4.31Å; Y91-Y124 AromaticContact CE1-CE1 3.59Å; Y91-Y124 HydrophobicContact CE1-CE1 3.59Å; Y91-Y124 HydrophobicContact CE2-CD1 4.46Å; Y91-Y124 HydrophobicContact CE2-CE1 4.35Å; Y91-Y124 AromaticContact CZ-CD1 3.82Å; Y91-Y124 AromaticContact CZ-CE1 3.57Å; Y91-Y124 WeakPolarHBondContact OH-CD1 3.5Å; Y91-Y124 WeakPolarHBondContact OH-CE1 3.3Å; L104-Y124 HydrophobicContact CD1-CD1 4.36Å; L104-Y124 HydrophobicContact CD1-CD2 4.49Å; L104-Y124 HydrophobicContact CD1-CG 3.96Å; L104-Y124 HydrophobicContact CD2-CD1 4.4Å; L104-Y124 HydrophobicContact CD2-CD2 3.58Å; L104-Y124 HydrophobicContact CD2-CE2 3.89Å; L104-Y124 HydrophobicContact CD2-CG 3.86Å; I122-Y124 PolarHBondContact O-N 3.43Å; I122-Y124 VanDerWaalsContact O-N 3.09Å; Y124-D126 WeakPolarHBondContact CD1-OD1 3.38Å; Y124-D126 WeakPolarHBondContact CE1-OD1 3.49Å; Y124-Q129 VanDerWaalsContact OH-CA 3.25Å; Y124-Q129 WeakPolarHBondContact OH-CA 3.37Å; Y124-Q129 PolarHBondContact OH-OE1 3Å; Y124-V130 VanDerWaalsContact CD2-C 3.49Å; Y124-V130 VanDerWaalsContact CD2-O 3.24Å; Y124-V130 WeakPolarHBondContact CD2-O 3.33Å; Y124-I131 HydrophobicContact CD2-CG1 4.03Å; Y124-I131 HydrophobicContact CE2-CG1 4.46Å; Y124-K132 WeakPolarHBondContact O-CE 3.19Å; Y124-K132 PolarHBondContact O-NZ 2.86Å |
| 125 | C | 96.8 | Very high | 95.3 | Very high | 6 Ų | 6 | 36.9 Ų | 36.9 | 4% | 0.041 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 109.7 | 170.4 | -171.7 | 0 | 0 | 0 | 0 | 110.5 | R127 C128 Q129 V130 K132 | C125-R127 VanDerWaalsContact C-N 3.3Å; C125-R127 PolarHBondContact O-N 3.47Å; C125-C128 HydrophobicContact CB-CB 4.22Å; C125-C128 PolarHBondContact O-N 2.85Å; C125-C128 PolarHBondContact SG-N 3.44Å; C125-Q129 VanDerWaalsContact O-CA 3.23Å; C125-Q129 WeakPolarHBondContact O-CA 3.3Å; C125-Q129 PolarHBondContact O-N 3.41Å; C125-V130 HydrophobicContact CB-CG1 3.94Å; C125-V130 PolarHBondContact N-O 3.35Å; C125-V130 PolarHBondContact O-N 2.97Å; C125-K132 HydrophobicContact CB-CG 4.3Å |
| 126 | D | 93.4 | Very high | 95.4 | Very high | 95 Ų | 95 | 36.6 Ų | 36.6 | 51% | 0.508 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -26.8 | 178.7 | -51.2 | -76.8 | 0 | 0 | 0 | 113.2 | Y91 Y124 Q129 | Y91-D126 PolarHBondContact OH-OD1 3.01Å; Y124-D126 WeakPolarHBondContact CD1-OD1 3.38Å; Y124-D126 WeakPolarHBondContact CE1-OD1 3.49Å; D126-Q129 PolarHBondContact O-NE2 2.71Å |
| 127 | R | 93.1 | Very high | 95.6 | Very high | 171 Ų | 171 | 37.9 Ų | 37.9 | 65% | 0.645 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -44.4 | 177.9 | -64.3 | -174.8 | -171.6 | -172.5 | 2.4 | 112.4 | C125 H138 | C125-R127 VanDerWaalsContact C-N 3.3Å; C125-R127 PolarHBondContact O-N 3.47Å; R127-H138 WeakPolarHBondContact CD-NE2 3.37Å |
| 128 | C | 94.7 | Very high | 95.7 | Very high | 44 Ų | 44 | 37.5 Ų | 37.5 | 30% | 0.297 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -8.7 | -178.5 | -61.5 | 0 | 0 | 0 | 0 | 112.8 | C125 V130 H138 | C125-C128 HydrophobicContact CB-CB 4.22Å; C125-C128 PolarHBondContact O-N 2.85Å; C125-C128 PolarHBondContact SG-N 3.44Å; C128-V130 VanDerWaalsContact C-N 3.32Å; C128-V130 HydrophobicContact CB-CB 4.41Å; C128-V130 HydrophobicContact CB-CG1 3.7Å; C128-V130 PolarHBondContact O-N 2.91Å; C128-H138 PolarHBondContact SG-ND1 2.78Å |
| 129 | Q | 94.2 | Very high | 96 | Very high | 40 Ų | 40 | 34.1 Ų | 34.1 | 19% | 0.187 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 49.6 | -175.9 | -63.4 | -74.5 | -51.3 | 0 | 0 | 112.1 | Y124 C125 D126 | Y124-Q129 VanDerWaalsContact OH-CA 3.25Å; Y124-Q129 WeakPolarHBondContact OH-CA 3.37Å; Y124-Q129 PolarHBondContact OH-OE1 3Å; C125-Q129 VanDerWaalsContact O-CA 3.23Å; C125-Q129 WeakPolarHBondContact O-CA 3.3Å; C125-Q129 PolarHBondContact O-N 3.41Å; D126-Q129 PolarHBondContact O-NE2 2.71Å |
| 130 | V | 95.4 | Very high | 96.2 | Very high | 5 Ų | 5 | 33.7 Ų | 33.7 | 3% | 0.03 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 135.9 | -172.8 | 73.3 | 0 | 0 | 0 | 0 | 110.9 | P77 F81 Y124 C125 C128 K132 C145 | P77-V130 HydrophobicContact CB-CG2 3.78Å; P77-V130 HydrophobicContact CG-CG1 4.42Å; P77-V130 HydrophobicContact CG-CG2 4.15Å; F81-V130 HydrophobicContact CB-CG2 3.66Å; F81-V130 VanDerWaalsContact O-CG2 3.31Å; F81-V130 WeakPolarHBondContact O-CG2 3.29Å; Y124-V130 VanDerWaalsContact CD2-C 3.49Å; Y124-V130 VanDerWaalsContact CD2-O 3.24Å; Y124-V130 WeakPolarHBondContact CD2-O 3.33Å; C125-V130 HydrophobicContact CB-CG1 3.94Å; C125-V130 PolarHBondContact N-O 3.35Å; C125-V130 PolarHBondContact O-N 2.97Å; C128-V130 VanDerWaalsContact C-N 3.32Å; C128-V130 HydrophobicContact CB-CB 4.41Å; C128-V130 HydrophobicContact CB-CG1 3.7Å; C128-V130 PolarHBondContact O-N 2.91Å; V130-K132 PolarHBondContact O-N 3.48Å; V130-C145 HydrophobicContact CG1-CB 4.2Å |
| 131 | I | 97.5 | Very high | 96.3 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.015 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 117.4 | 166.1 | -61.3 | 172.4 | 0 | 0 | 0 | 106.5 | F81 L83 L104 A107 A108 L111 L113 I122 Y124 P133 | F81-I131 WeakPolarHBondContact CB-O 3.24Å; F81-I131 WeakPolarHBondContact CD1-O 3.35Å; F81-I131 PolarHBondContact O-N 3.1Å; L83-I131 HydrophobicContact CD2-CD1 3.97Å; L83-I131 HydrophobicContact CD2-CG1 4.36Å; L104-I131 HydrophobicContact CD2-CG1 4.4Å; A107-I131 HydrophobicContact CB-CD1 3.69Å; A108-I131 HydrophobicContact CB-CD1 4.29Å; L111-I131 HydrophobicContact CD1-CB 4.28Å; L111-I131 HydrophobicContact CD1-CD1 4.12Å; L111-I131 HydrophobicContact CD1-CG2 4.2Å; L113-I131 HydrophobicContact CD1-CG2 3.55Å; I122-I131 HydrophobicContact CG2-CG2 3.75Å; Y124-I131 HydrophobicContact CD2-CG1 4.03Å; Y124-I131 HydrophobicContact CE2-CG1 4.46Å; I131-P133 VanDerWaalsContact O-CD 3.24Å; I131-P133 WeakPolarHBondContact O-CD 3.42Å |
| 132 | K | 97.9 | Very high | 96.3 | Very high | 45 Ų | 45 | 35.7 Ų | 35.7 | 20% | 0.196 | 19% | 0.19 | C | C | . | . | P | Polyproline II helix | trans | -69 | 122.8 | -173.7 | -65.2 | 169.9 | -179.5 | 154.5 | 0 | 109.1 | R123 Y124 C125 V130 C136 | R123-K132 HydrophobicContact CB-CB 4.1Å; R123-K132 HydrophobicContact CB-CD 4.33Å; R123-K132 WeakPolarHBondContact O-CB 3.47Å; R123-K132 PolarHBondContact O-N 3.15Å; Y124-K132 WeakPolarHBondContact O-CE 3.19Å; Y124-K132 PolarHBondContact O-NZ 2.86Å; C125-K132 HydrophobicContact CB-CG 4.3Å; V130-K132 PolarHBondContact O-N 3.48Å; K132-C136 HydrophobicContact CB-CB 4.39Å |
| 133 | P | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -52.2 | 162.3 | 163.9 | -22.1 | 30.2 | 0 | 0 | 0 | 111.5 | P77 F81 R123 I131 R135 C136 L147 L298 | P77-P133 HydrophobicContact CB-CG 3.95Å; P77-P133 HydrophobicContact CG-CG 4.14Å; F81-P133 HydrophobicContact CD1-CB 4.26Å; F81-P133 HydrophobicContact CD1-CG 3.61Å; F81-P133 HydrophobicContact CD2-CG 4.13Å; F81-P133 HydrophobicContact CE1-CB 3.84Å; F81-P133 HydrophobicContact CE1-CG 3.65Å; F81-P133 HydrophobicContact CE2-CG 4.17Å; F81-P133 HydrophobicContact CG-CG 3.86Å; F81-P133 HydrophobicContact CZ-CB 4.1Å; F81-P133 HydrophobicContact CZ-CG 3.93Å; R123-P133 PolarHBondContact NH1-O 2.94Å; I131-P133 VanDerWaalsContact O-CD 3.24Å; I131-P133 WeakPolarHBondContact O-CD 3.42Å; P133-R135 PolarHBondContact O-N 3.22Å; P133-C136 HydrophobicContact CB-CB 4.09Å; P133-C136 HydrophobicContact CG-CB 4.24Å; P133-C136 VanDerWaalsContact O-CB 3.25Å; P133-C136 WeakPolarHBondContact O-CB 3.16Å; P133-C136 PolarHBondContact O-N 3.5Å; P133-C136 VanDerWaalsContact O-N 3.11Å; P133-L147 HydrophobicContact CB-CD2 4.3Å; P133-L147 HydrophobicContact CG-CD2 3.87Å; P133-L298 HydrophobicContact CB-CD2 4.46Å; P133-L298 HydrophobicContact CG-CD2 3.89Å |
| 134 | D | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 140.4 | 172.9 | -72.1 | -25.8 | 0 | 0 | 0 | 110.1 | Y114 T115 C136 F267 F300 | Y114-D134 WeakPolarHBondContact CB-OD2 3.44Å; Y114-D134 VanDerWaalsContact CD2-OD2 3.23Å; Y114-D134 WeakPolarHBondContact CD2-OD2 3.39Å; Y114-D134 PolarHBondContact N-OD1 2.78Å; Y114-D134 PolarHBondContact N-OD2 3.02Å; T115-D134 VanDerWaalsContact CB-OD1 3.28Å; T115-D134 WeakPolarHBondContact CB-OD1 3.44Å; T115-D134 HydrophobicContact CG2-CB 4.39Å; T115-D134 WeakPolarHBondContact CG2-OD1 3.39Å; T115-D134 PolarHBondContact N-OD1 3.35Å; T115-D134 PolarHBondContact OG1-OD1 3.32Å; D134-C136 PolarHBondContact O-N 2.85Å; D134-F267 HydrophobicContact CB-CE1 4.49Å; D134-F267 HydrophobicContact CB-CZ 4.11Å; D134-F300 HydrophobicContact CB-CD2 4.43Å; D134-F300 WeakPolarHBondContact O-CE2 3.36Å |
| 135 | R | 98.3 | Very high | 96.4 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 1% | 0.011 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 2.3 | -178.6 | -38.8 | -177.7 | 69.4 | 172.1 | 6.7 | 115.7 | P133 H137 K148 M149 N246 E251 F267 F300 | P133-R135 PolarHBondContact O-N 3.22Å; R135-H137 PolarHBondContact O-CD2 3.32Å; R135-K148 HydrophobicContact CB-CG 4.34Å; R135-K148 VanDerWaalsContact CZ-CE 3.49Å; R135-K148 CarbonylContact O-C 3.58Å; R135-K148 VanDerWaalsContact O-CA 3.24Å; R135-K148 WeakPolarHBondContact O-CA 3.25Å; R135-K148 PolarHBondContact O-N 2.96Å; R135-M149 PolarHBondContact O-N 2.99Å; R135-M149 VanDerWaalsContact O-N 3.17Å; R135-N246 PolarHBondContact NH1-OD1 3.38Å; R135-N246 PolarHBondContact NH2-O 2.97Å; R135-N246 PolarHBondContact NH2-OD1 3.2Å; R135-E251 WeakPolarHBondContact CB-OE1 3.41Å; R135-E251 WeakPolarHBondContact CG-OE1 3.41Å; R135-E251 IonicContact CZ-OE1 2.7Å; R135-E251 IonicContact CZ-OE2 3.68Å; R135-E251 IonicContact NE-OE1 3.39Å; R135-E251 PolarHBondContact NE-OE1 2.84Å; R135-E251 IonicContact NE-OE2 3.5Å; R135-E251 PolarHBondContact NE-OE2 3.35Å; R135-E251 IonicContact NH2-OE1 3.37Å; R135-E251 IonicContact NH2-OE2 3.65Å; R135-E251 PolarHBondContact NH2-OE2 3.43Å; R135-F267 HydrophobicContact CG-CD2 4.12Å; R135-F267 HydrophobicContact CG-CE1 4.29Å; R135-F267 HydrophobicContact CG-CE2 3.59Å; R135-F267 HydrophobicContact CG-CZ 3.69Å; R135-F300 HydrophobicContact CB-CD2 4.42Å; R135-F300 HydrophobicContact CB-CE2 4.07Å; R135-F300 VanDerWaalsContact CD-CD2 3.49Å; R135-F300 HydrophobicContact CG-CD2 3.86Å; R135-F300 HydrophobicContact CG-CE2 4.02Å; R135-F300 HydrophobicContact CG-CG 4.46Å |
| 136 | C | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -82.4 | 135.4 | 175 | 174.1 | 0 | 0 | 0 | 0 | 111.5 | R123 K132 P133 D134 V146 L147 | R123-C136 PolarHBondContact NH2-O 2.84Å; K132-C136 HydrophobicContact CB-CB 4.39Å; P133-C136 HydrophobicContact CB-CB 4.09Å; P133-C136 HydrophobicContact CG-CB 4.24Å; P133-C136 VanDerWaalsContact O-CB 3.25Å; P133-C136 WeakPolarHBondContact O-CB 3.16Å; P133-C136 PolarHBondContact O-N 3.5Å; P133-C136 VanDerWaalsContact O-N 3.11Å; D134-C136 PolarHBondContact O-N 2.85Å; C136-V146 WeakPolarHBondContact CA-O 3.44Å; C136-V146 PolarHBondContact SG-O 3.42Å; C136-L147 HydrophobicContact CB-CD2 4.16Å | ||
| 137 | H | 98.5 | Very high | 96.7 | Very high | 49 Ų | 49 | 35.8 Ų | 35.8 | 23% | 0.227 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 151.1 | 175.4 | -62.1 | -94.9 | 0 | 0 | 0 | 111.3 | R135 C145 V146 M149 I250 | R135-H137 PolarHBondContact O-CD2 3.32Å; H137-C145 WeakPolarHBondContact O-CA 3.23Å; H137-V146 PolarHBondContact N-O 3.16Å; H137-V146 PolarHBondContact O-N 2.91Å; H137-M149 HydrophobicContact CB-CB 3.92Å; H137-M149 HydrophobicContact CB-CG 4.33Å; H137-M149 HydrophobicContact CB-SD 3.68Å; H137-I250 HydrophobicContact CB-CD1 4.08Å |
| 138 | H | 98.4 | Very high | 97 | Very high | 39 Ų | 39 | 28.4 Ų | 28.4 | 18% | 0.181 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 125 | 173.8 | -179.2 | 91.7 | 0 | 0 | 0 | 109.3 | R127 C128 D143 | R127-H138 WeakPolarHBondContact CD-NE2 3.37Å; C128-H138 PolarHBondContact SG-ND1 2.78Å; H138-D143 IonicContact CE1-OD1 3.36Å |
| 139 | C | 98.3 | Very high | 97.2 | Very high | 6 Ų | 6 | 27.1 Ų | 27.1 | 4% | 0.041 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 119.9 | 170.2 | -179.6 | 0 | 0 | 0 | 0 | 109.4 | A141 C142 D143 M144 V146 M149 C159 | C139-A141 VanDerWaalsContact C-N 3.3Å; C139-A141 PolarHBondContact O-N 3.26Å; C139-A141 PolarHBondContact SG-N 3.47Å; C139-C142 HydrophobicContact CB-CB 3.95Å; C139-C142 PolarHBondContact O-N 2.92Å; C139-C142 PolarHBondContact SG-N 3.44Å; C139-C142 VanDerWaalsContact SG-N 3.43Å; C139-D143 WeakPolarHBondContact O-CA 3.21Å; C139-D143 PolarHBondContact O-N 3.24Å; C139-M144 PolarHBondContact N-O 2.7Å; C139-M144 PolarHBondContact O-N 2.89Å; C139-V146 HydrophobicContact CB-CG2 4.35Å; C139-M149 HydrophobicContact CB-CE 3.64Å; C139-M149 HydrophobicContact CB-SD 3.91Å; C139-C159 WeakPolarHBondContact CB-SG 3.2Å; C139-C159 PolarHBondContact SG-SG 3.45Å |
| 140 | S | 94.8 | Very high | 97.4 | Very high | 88 Ų | 88 | 25.3 Ų | 25.3 | 62% | 0.615 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -29.2 | 177.3 | 50.5 | 0 | 0 | 0 | 0 | 113.6 | ||
| 141 | A | 93.4 | Very high | 97.6 | Very high | 66 Ų | 66 | 27.1 Ų | 27.1 | 55% | 0.545 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -40.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | C139 D143 | C139-A141 VanDerWaalsContact C-N 3.3Å; C139-A141 PolarHBondContact O-N 3.26Å; C139-A141 PolarHBondContact SG-N 3.47Å; A141-D143 VanDerWaalsContact C-N 3.29Å |
| 142 | C | 95.1 | Very high | 97.6 | Very high | 36 Ų | 36 | 29.8 Ų | 29.8 | 24% | 0.243 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -13.5 | 173.6 | -59.8 | 0 | 0 | 0 | 0 | 112.2 | C139 M144 H152 C159 | C139-C142 HydrophobicContact CB-CB 3.95Å; C139-C142 PolarHBondContact O-N 2.92Å; C139-C142 PolarHBondContact SG-N 3.44Å; C139-C142 VanDerWaalsContact SG-N 3.43Å; C142-M144 HydrophobicContact CB-CG 3.82Å; C142-M144 PolarHBondContact O-N 3.46Å; C142-H152 PolarHBondContact SG-ND1 3.08Å; C142-C159 HydrophobicContact CB-CB 4.47Å; C142-C159 WeakPolarHBondContact CB-SG 3.42Å; C142-C159 WeakPolarHBondContact SG-CB 3.43Å; C142-C159 CovalentContact SG-SG 2.08Å; C142-C159 PolarHBondContact SG-SG 3.36Å |
| 143 | D | 95.6 | Very high | 97.7 | Very high | 104 Ų | 104 | 28.1 Ų | 28.1 | 56% | 0.556 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 40.1 | -174.3 | -159.5 | 30.2 | 0 | 0 | 0 | 113.7 | H138 C139 A141 | H138-D143 IonicContact CE1-OD1 3.36Å; C139-D143 WeakPolarHBondContact O-CA 3.21Å; C139-D143 PolarHBondContact O-N 3.24Å; A141-D143 VanDerWaalsContact C-N 3.29Å |
| 144 | M | 96.8 | Very high | 97.7 | Very high | 44 Ų | 44 | 31.3 Ų | 31.3 | 22% | 0.217 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 158.1 | -178.3 | 61.9 | 173.7 | -79 | 0 | 0 | 112 | P74 N76 C139 C142 V146 | P74-M144 HydrophobicContact CB-CE 4.1Å; P74-M144 HydrophobicContact CB-SD 4.48Å; N76-M144 HydrophobicContact CB-CE 3.67Å; C139-M144 PolarHBondContact N-O 2.7Å; C139-M144 PolarHBondContact O-N 2.89Å; C142-M144 HydrophobicContact CB-CG 3.82Å; C142-M144 PolarHBondContact O-N 3.46Å; M144-V146 HydrophobicContact CE-CG2 4.22Å; M144-V146 HydrophobicContact CG-CG2 4.15Å |
| 145 | C | 98.5 | Very high | 97.7 | Very high | 4 Ų | 4 | 37.6 Ų | 37.6 | 3% | 0.027 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 127.4 | 164.5 | -84.5 | 0 | 0 | 0 | 0 | 110.4 | P77 V130 H137 | P77-C145 WeakPolarHBondContact CD-O 3.44Å; P77-C145 HydrophobicContact CG-CB 3.8Å; V130-C145 HydrophobicContact CG1-CB 4.2Å; H137-C145 WeakPolarHBondContact O-CA 3.23Å |
| 146 | V | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 124.7 | -178.3 | 177 | 0 | 0 | 0 | 0 | 109 | P74 C136 H137 C139 M144 M149 C159 | P74-V146 HydrophobicContact CB-CG1 3.9Å; P74-V146 HydrophobicContact CB-CG2 4Å; C136-V146 WeakPolarHBondContact CA-O 3.44Å; C136-V146 PolarHBondContact SG-O 3.42Å; H137-V146 PolarHBondContact N-O 3.16Å; H137-V146 PolarHBondContact O-N 2.91Å; C139-V146 HydrophobicContact CB-CG2 4.35Å; M144-V146 HydrophobicContact CE-CG2 4.22Å; M144-V146 HydrophobicContact CG-CG2 4.15Å; V146-M149 HydrophobicContact CB-CB 3.96Å; V146-M149 HydrophobicContact CB-CG 4.14Å; V146-M149 HydrophobicContact CB-SD 4.37Å; V146-M149 HydrophobicContact CG1-CB 4.03Å; V146-M149 HydrophobicContact CG1-CG 4.25Å; V146-M149 PolarHBondContact O-N 3.39Å; V146-C159 HydrophobicContact CG1-CB 4.31Å; V146-C159 HydrophobicContact CG2-CB 3.91Å |
| 147 | L | 98.7 | Very high | 97.7 | Very high | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | 137.7 | 176.1 | -62.6 | -172.7 | 0 | 0 | 0 | 111.1 | A75 N76 P77 P133 C136 M149 F162 G297 L298 | A75-L147 HydrophobicContact CB-CB 4.15Å; A75-L147 HydrophobicContact CB-CD1 3.82Å; A75-L147 HydrophobicContact CB-CG 4.13Å; A75-L147 PolarHBondContact O-N 3.49Å; N76-L147 WeakPolarHBondContact O-CD1 3.36Å; P77-L147 HydrophobicContact CB-CD2 4.43Å; P77-L147 HydrophobicContact CG-CD2 4.01Å; P133-L147 HydrophobicContact CB-CD2 4.3Å; P133-L147 HydrophobicContact CG-CD2 3.87Å; C136-L147 HydrophobicContact CB-CD2 4.16Å; L147-M149 PolarHBondContact O-N 2.88Å; L147-M149 VanDerWaalsContact O-N 3.15Å; L147-F162 HydrophobicContact CB-CB 4Å; L147-F162 WeakPolarHBondContact O-CB 3.43Å; L147-F162 PolarHBondContact O-N 3.27Å; L147-G297 WeakPolarHBondContact CB-O 3.12Å; L147-L298 HydrophobicContact CD1-CD2 3.7Å; L147-L298 HydrophobicContact CD1-CG 4.16Å; L147-L298 HydrophobicContact CD2-CD2 3.79Å; L147-L298 HydrophobicContact CG-CD2 4.41Å |
| 148 | K | 98.6 | Very high | 97.7 | Very high | 16 Ų | 16 | 37.6 Ų | 37.6 | 7% | 0.07 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 40.6 | 49.1 | -173.7 | -160.7 | -176.5 | 171.5 | 175.5 | 0 | 112 | R135 D150 G161 F162 F300 | R135-K148 HydrophobicContact CB-CG 4.34Å; R135-K148 VanDerWaalsContact CZ-CE 3.49Å; R135-K148 CarbonylContact O-C 3.58Å; R135-K148 VanDerWaalsContact O-CA 3.24Å; R135-K148 WeakPolarHBondContact O-CA 3.25Å; R135-K148 PolarHBondContact O-N 2.96Å; K148-D150 PolarHBondContact O-N 3.09Å; K148-G161 VanDerWaalsContact O-CA 3.26Å; K148-G161 WeakPolarHBondContact O-CA 3.17Å; K148-F162 HydrophobicContact CB-CB 3.84Å; K148-F162 HydrophobicContact CB-CD2 4.45Å; K148-F162 HydrophobicContact CD-CD2 4.32Å; K148-F300 HydrophobicContact CB-CE1 4.34Å; K148-F300 HydrophobicContact CB-CZ 3.81Å; K148-F300 HydrophobicContact CD-CE1 3.81Å; K148-F300 HydrophobicContact CD-CZ 4.14Å; K148-F300 HydrophobicContact CG-CE1 4.29Å; K148-F300 HydrophobicContact CG-CZ 4.14Å |
| 149 | M | 98.8 | Very high | 97.7 | Very high | 17 Ų | 17 | 35.7 Ų | 35.7 | 8% | 0.084 | 20% | 0.199 | C | C | . | . | trans | -60.1 | 126.7 | -175.3 | -176 | 176.9 | 169 | 0 | 0 | 109.6 | R135 H137 C139 V146 L147 I250 | R135-M149 PolarHBondContact O-N 2.99Å; R135-M149 VanDerWaalsContact O-N 3.17Å; H137-M149 HydrophobicContact CB-CB 3.92Å; H137-M149 HydrophobicContact CB-CG 4.33Å; H137-M149 HydrophobicContact CB-SD 3.68Å; C139-M149 HydrophobicContact CB-CE 3.64Å; C139-M149 HydrophobicContact CB-SD 3.91Å; V146-M149 HydrophobicContact CB-CB 3.96Å; V146-M149 HydrophobicContact CB-CG 4.14Å; V146-M149 HydrophobicContact CB-SD 4.37Å; V146-M149 HydrophobicContact CG1-CB 4.03Å; V146-M149 HydrophobicContact CG1-CG 4.25Å; V146-M149 PolarHBondContact O-N 3.39Å; L147-M149 PolarHBondContact O-N 2.88Å; L147-M149 VanDerWaalsContact O-N 3.15Å; M149-I250 HydrophobicContact CB-CD1 4.32Å; M149-I250 HydrophobicContact CG-CD1 4.09Å; M149-I250 HydrophobicContact SD-CD1 4.31Å | ||
| 150 | D | 98.8 | Very high | 97.7 | Very high | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | trans | -96.4 | -61.8 | 173.9 | -168.1 | -90.8 | 0 | 0 | 0 | 110.4 | K148 V160 Y165 H239 S248 T249 I250 | K148-D150 PolarHBondContact O-N 3.09Å; D150-V160 HydrophobicContact CB-CG1 4.23Å; D150-V160 WeakPolarHBondContact CB-O 3.44Å; D150-V160 PolarHBondContact N-O 3.24Å; D150-Y165 HydrophobicContact CB-CD2 4.3Å; D150-Y165 HydrophobicContact CB-CE2 4.2Å; D150-H239 IonicContact OD1-CE1 3.36Å; D150-H239 PolarHBondContact OD1-CE1 3.41Å; D150-S248 VanDerWaalsContact OD2-CA 3.25Å; D150-S248 WeakPolarHBondContact OD2-CA 3.39Å; D150-T249 VanDerWaalsContact CG-OG1 3.29Å; D150-T249 WeakPolarHBondContact OD1-CB 3.39Å; D150-T249 PolarHBondContact OD1-OG1 2.87Å; D150-T249 PolarHBondContact OD2-N 3.28Å; D150-T249 PolarHBondContact OD2-OG1 3.42Å; D150-I250 WeakPolarHBondContact O-CG1 3.42Å | ||
| 151 | H | 98.8 | Very high | 97.9 | Very high | 43 Ų | 43 | 31.2 Ų | 31.2 | 20% | 0.199 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161 | 166.8 | 174.4 | 63.6 | -78.7 | 0 | 0 | 0 | 111 | C153 V160 F168 | H151-C153 WeakPolarHBondContact NE2-CB 3.48Å; H151-V160 PolarHBondContact N-O 3.43Å; H151-V160 PolarHBondContact O-N 3.39Å; H151-F168 AromaticContact CE1-CE1 3.77Å; H151-F168 AromaticContact CE1-CZ 3.6Å; H151-F168 AromaticContact NE2-CZ 3.86Å |
| 152 | H | 98.6 | Very high | 98.2 | Very high | 58 Ų | 58 | 28.9 Ų | 28.9 | 27% | 0.269 | 15% | 0.145 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 126.1 | 163.5 | -176 | 84.9 | 0 | 0 | 0 | 108.7 | C142 C159 | C142-H152 PolarHBondContact SG-ND1 3.08Å; H152-C159 PolarHBondContact ND1-SG 3.12Å; H152-C159 VanDerWaalsContact ND1-SG 3.42Å |
| 153 | C | 98.5 | Very high | 98.3 | Very high | 10 Ų | 10 | 27.9 Ų | 27.9 | 7% | 0.068 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 108.6 | -175.2 | -175.1 | 0 | 0 | 0 | 0 | 110.4 | H151 W155 V156 N157 N158 V160 | H151-C153 WeakPolarHBondContact NE2-CB 3.48Å; C153-W155 PolarHBondContact O-N 2.85Å; C153-V156 HydrophobicContact CB-CG2 3.57Å; C153-V156 WeakPolarHBondContact O-CG2 3.25Å; C153-V156 PolarHBondContact O-N 2.82Å; C153-N157 PolarHBondContact O-N 3.46Å; C153-N158 PolarHBondContact N-O 2.72Å; C153-N158 PolarHBondContact O-N 3.2Å; C153-V160 HydrophobicContact CB-CG2 3.96Å |
| 154 | P | 97.7 | Very high | 98.5 | Very high | 68 Ų | 68 | 23 Ų | 23 | 44% | 0.442 | 11% | 0.113 | S | C | . | . | G | 310 helix | trans | -60.2 | -33.3 | 179.4 | -24.6 | 34.8 | 0 | 0 | 0 | 113 | P18 V156 N157 | P18-P154 WeakPolarHBondContact CB-O 3.32Å; P18-P154 HydrophobicContact CG-CB 4.3Å; P154-V156 PolarHBondContact O-N 2.7Å; P154-N157 PolarHBondContact O-N 3.43Å |
| 155 | W | 98.3 | Very high | 98.6 | Very high | 132 Ų | 132 | 21.4 Ų | 21.4 | 50% | 0.5 | 10% | 0.104 | S | C | . | . | G | 310 helix | trans | -66.3 | -16.4 | -178.2 | -58.5 | 109.3 | 0 | 0 | 0 | 114.7 | P18 F21 I22 Y66 C153 | P18-W155 HydrophobicContact CB-CE3 3.91Å; P18-W155 HydrophobicContact CB-CZ3 4.31Å; F21-W155 HydrophobicContact CD1-CZ3 4.04Å; F21-W155 HydrophobicContact CE1-CZ3 4.38Å; I22-W155 HydrophobicContact CD1-CE3 3.92Å; I22-W155 HydrophobicContact CD1-CZ3 4.11Å; I22-W155 HydrophobicContact CG1-CE3 3.79Å; I22-W155 HydrophobicContact CG1-CZ3 4.27Å; Y66-W155 WeakPolarHBondContact CE2-O 3.37Å; Y66-W155 PolarHBondContact OH-O 3.18Å; C153-W155 PolarHBondContact O-N 2.85Å |
| 156 | V | 98.3 | Very high | 98.6 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | G | 310 helix | trans | -118 | 3.9 | 173.6 | -62.2 | 0 | 0 | 0 | 0 | 111.8 | Y66 T69 I70 C153 P154 N158 F171 | Y66-V156 HydrophobicContact CD2-CG1 4.04Å; Y66-V156 HydrophobicContact CE2-CG1 3.66Å; T69-V156 HydrophobicContact CG2-CB 4.2Å; T69-V156 HydrophobicContact CG2-CG1 3.78Å; T69-V156 HydrophobicContact CG2-CG2 4.2Å; I70-V156 HydrophobicContact CG1-CB 3.83Å; I70-V156 HydrophobicContact CG1-CG1 4.21Å; C153-V156 HydrophobicContact CB-CG2 3.57Å; C153-V156 WeakPolarHBondContact O-CG2 3.25Å; C153-V156 PolarHBondContact O-N 2.82Å; P154-V156 PolarHBondContact O-N 2.7Å; V156-N158 HydrophobicContact CG2-CB 4.12Å; V156-N158 WeakPolarHBondContact O-CB 3.5Å; V156-N158 PolarHBondContact O-N 3.09Å; V156-N158 VanDerWaalsContact O-N 3.1Å; V156-F171 HydrophobicContact CG1-CE1 4.48Å |
| 157 | N | 98.2 | Very high | 98.6 | Very high | 36 Ų | 36 | 21.4 Ų | 21.4 | 19% | 0.193 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 43.7 | 41.9 | -173.8 | -170.8 | 22.4 | 0 | 0 | 0 | 113 | A15 W16 V19 C153 P154 | A15-N157 VanDerWaalsContact CB-OD1 3.3Å; A15-N157 WeakPolarHBondContact CB-OD1 3.3Å; A15-N157 VanDerWaalsContact O-CG 3.28Å; A15-N157 PolarHBondContact O-OD1 3.37Å; W16-N157 HydrophobicContact CE3-CB 4.41Å; W16-N157 PolarHBondContact NE1-ND2 3.27Å; V19-N157 HydrophobicContact CG2-CB 3.66Å; C153-N157 PolarHBondContact O-N 3.46Å; P154-N157 PolarHBondContact O-N 3.43Å |
| 158 | N | 98.4 | Very high | 98.6 | Very high | 15 Ų | 15 | 21.3 Ų | 21.3 | 8% | 0.08 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 157.4 | -173.9 | -163 | 10.2 | 0 | 0 | 0 | 111.2 | T69 I70 T72 P74 C153 V156 | T69-N158 PolarHBondContact O-ND2 2.76Å; T69-N158 VanDerWaalsContact O-ND2 3.16Å; I70-N158 PolarHBondContact O-ND2 2.94Å; T72-N158 PolarHBondContact O-ND2 3.21Å; P74-N158 VanDerWaalsContact CD-OD1 3.25Å; P74-N158 WeakPolarHBondContact CD-OD1 3.39Å; P74-N158 WeakPolarHBondContact CG-OD1 3.21Å; C153-N158 PolarHBondContact N-O 2.72Å; C153-N158 PolarHBondContact O-N 3.2Å; V156-N158 HydrophobicContact CG2-CB 4.12Å; V156-N158 WeakPolarHBondContact O-CB 3.5Å; V156-N158 PolarHBondContact O-N 3.09Å; V156-N158 VanDerWaalsContact O-N 3.1Å |
| 159 | C | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 133.6 | 169.3 | -74.4 | 0 | 0 | 0 | 0 | 110.1 | P74 C139 C142 V146 H152 N164 | P74-C159 HydrophobicContact CB-CB 4.22Å; P74-C159 HydrophobicContact CG-CB 3.72Å; C139-C159 WeakPolarHBondContact CB-SG 3.2Å; C139-C159 PolarHBondContact SG-SG 3.45Å; C142-C159 HydrophobicContact CB-CB 4.47Å; C142-C159 WeakPolarHBondContact CB-SG 3.42Å; C142-C159 WeakPolarHBondContact SG-CB 3.43Å; C142-C159 CovalentContact SG-SG 2.08Å; C142-C159 PolarHBondContact SG-SG 3.36Å; V146-C159 HydrophobicContact CG1-CB 4.31Å; V146-C159 HydrophobicContact CG2-CB 3.91Å; H152-C159 PolarHBondContact ND1-SG 3.12Å; H152-C159 VanDerWaalsContact ND1-SG 3.42Å; C159-N164 PolarHBondContact O-ND2 2.77Å; C159-N164 PolarHBondContact O-OD1 3.12Å |
| 160 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 121.1 | 168.8 | -178.6 | 0 | 0 | 0 | 0 | 107.9 | D150 H151 C153 N164 Y165 F168 | D150-V160 HydrophobicContact CB-CG1 4.23Å; D150-V160 WeakPolarHBondContact CB-O 3.44Å; D150-V160 PolarHBondContact N-O 3.24Å; H151-V160 PolarHBondContact N-O 3.43Å; H151-V160 PolarHBondContact O-N 3.39Å; C153-V160 HydrophobicContact CB-CG2 3.96Å; V160-N164 WeakPolarHBondContact CA-OD1 3.22Å; V160-Y165 HydrophobicContact CG1-CD2 3.69Å; V160-Y165 HydrophobicContact CG1-CE2 4.42Å; V160-F168 HydrophobicContact CG1-CB 3.85Å; V160-F168 HydrophobicContact CG1-CD1 4.02Å; V160-F168 HydrophobicContact CG1-CG 3.89Å; V160-F168 HydrophobicContact CG2-CB 4.34Å; V160-F168 HydrophobicContact CG2-CD2 3.87Å; V160-F168 HydrophobicContact CG2-CE2 4.35Å; V160-F168 HydrophobicContact CG2-CG 4.04Å |
| 161 | G | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -160.5 | -155.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | K148 S163 N164 Y165 | K148-G161 VanDerWaalsContact O-CA 3.26Å; K148-G161 WeakPolarHBondContact O-CA 3.17Å; G161-S163 VanDerWaalsContact C-N 3.35Å; G161-S163 PolarHBondContact O-N 3.26Å; G161-N164 PolarHBondContact N-OD1 2.83Å; G161-N164 PolarHBondContact O-N 2.65Å; G161-N164 PolarHBondContact O-OD1 2.75Å; G161-Y165 VanDerWaalsContact O-CB 3.28Å; G161-Y165 WeakPolarHBondContact O-CB 3.23Å; G161-Y165 PolarHBondContact O-N 2.88Å |
| 162 | F | 98.8 | Very high | 98.6 | Very high | 16 Ų | 16 | 18.9 Ų | 18.9 | 7% | 0.07 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | -48.4 | -172.4 | -178.9 | -105.9 | 0 | 0 | 0 | 114.3 | L147 K148 N164 F291 Q294 G295 F300 | L147-F162 HydrophobicContact CB-CB 4Å; L147-F162 WeakPolarHBondContact O-CB 3.43Å; L147-F162 PolarHBondContact O-N 3.27Å; K148-F162 HydrophobicContact CB-CB 3.84Å; K148-F162 HydrophobicContact CB-CD2 4.45Å; K148-F162 HydrophobicContact CD-CD2 4.32Å; F162-N164 VanDerWaalsContact C-N 3.34Å; F162-N164 PolarHBondContact O-N 3.32Å; F162-F291 HydrophobicContact CE1-CE2 4.37Å; F162-F291 AromaticContact CE1-CZ 3.76Å; F162-F291 HydrophobicContact CE1-CZ 3.76Å; F162-F291 AromaticContact CZ-CZ 3.98Å; F162-F291 HydrophobicContact CZ-CZ 3.98Å; F162-Q294 WeakPolarHBondContact CE2-O 3.38Å; F162-G295 WeakPolarHBondContact CZ-O 3.45Å; F162-F300 HydrophobicContact CD2-CE1 4.26Å; F162-F300 HydrophobicContact CD2-CZ 4.44Å; F162-F300 HydrophobicContact CE2-CE1 4.45Å |
| 163 | S | 98.5 | Very high | 98.6 | Very high | 16 Ų | 16 | 17.2 Ų | 17.2 | 11% | 0.112 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -20.1 | -171.6 | 54.7 | 0 | 0 | 0 | 0 | 114.7 | K73 P74 A75 G161 F291 | K73-S163 PolarHBondContact O-OG 2.95Å; P74-S163 WeakPolarHBondContact CA-OG 3.32Å; A75-S163 PolarHBondContact N-OG 2.77Å; G161-S163 VanDerWaalsContact C-N 3.35Å; G161-S163 PolarHBondContact O-N 3.26Å; S163-F291 WeakPolarHBondContact O-CD2 3.36Å |
| 164 | N | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.005 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -133 | 3.2 | -173.4 | 67.5 | -10.3 | 0 | 0 | 0 | 114.6 | T69 T72 C159 V160 G161 F162 K166 F167 F168 | T69-N164 PolarHBondContact O-ND2 2.93Å; T72-N164 HydrophobicContact CG2-CB 4.1Å; C159-N164 PolarHBondContact O-ND2 2.77Å; C159-N164 PolarHBondContact O-OD1 3.12Å; V160-N164 WeakPolarHBondContact CA-OD1 3.22Å; G161-N164 PolarHBondContact N-OD1 2.83Å; G161-N164 PolarHBondContact O-N 2.65Å; G161-N164 PolarHBondContact O-OD1 2.75Å; F162-N164 VanDerWaalsContact C-N 3.34Å; F162-N164 PolarHBondContact O-N 3.32Å; N164-K166 VanDerWaalsContact C-N 3.34Å; N164-K166 PolarHBondContact O-N 2.88Å; N164-F167 HydrophobicContact CB-CD2 3.92Å; N164-F167 WeakPolarHBondContact O-CB 3.27Å; N164-F167 PolarHBondContact O-N 3.4Å; N164-F168 PolarHBondContact O-N 2.91Å |
| 165 | Y | 98.9 | Very high | 98.7 | Very high | 10 Ų | 10 | 15.4 Ų | 15.4 | 4% | 0.039 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -57.7 | -45.4 | -179.2 | -167.8 | -125.6 | 0 | 0 | 0 | 111.9 | D150 V160 G161 F167 F168 I169 H239 V243 V278 | D150-Y165 HydrophobicContact CB-CD2 4.3Å; D150-Y165 HydrophobicContact CB-CE2 4.2Å; V160-Y165 HydrophobicContact CG1-CD2 3.69Å; V160-Y165 HydrophobicContact CG1-CE2 4.42Å; G161-Y165 VanDerWaalsContact O-CB 3.28Å; G161-Y165 WeakPolarHBondContact O-CB 3.23Å; G161-Y165 PolarHBondContact O-N 2.88Å; Y165-F167 VanDerWaalsContact C-N 3.29Å; Y165-F167 PolarHBondContact O-N 3.43Å; Y165-F168 HydrophobicContact CE2-CD1 4.48Å; Y165-F168 WeakPolarHBondContact O-CB 3.35Å; Y165-F168 PolarHBondContact O-N 2.97Å; Y165-F168 VanDerWaalsContact O-N 3.15Å; Y165-I169 HydrophobicContact CE1-CD1 4.34Å; Y165-I169 HydrophobicContact CE1-CG1 4.37Å; Y165-I169 HydrophobicContact CE2-CD1 4.17Å; Y165-I169 WeakPolarHBondContact O-CG1 3.39Å; Y165-I169 PolarHBondContact O-N 2.78Å; Y165-H239 AromaticContact CE2-ND1 3.75Å; Y165-H239 AromaticContact CZ-ND1 3.85Å; Y165-H239 PolarHBondContact OH-ND1 3.45Å; Y165-H239 VanDerWaalsContact OH-ND1 3.09Å; Y165-V243 HydrophobicContact CE1-CG2 3.73Å; Y165-V278 HydrophobicContact CD1-CG1 3.99Å; Y165-V278 HydrophobicContact CD1-CG2 4.04Å; Y165-V278 HydrophobicContact CE1-CG2 4.29Å |
| 166 | K | 98.8 | Very high | 98.7 | Very high | 3 Ų | 3 | 10 Ų | 10 | 1% | 0.013 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -55.8 | -43.9 | 174.1 | -177.6 | -171.4 | 170.7 | -170 | 0 | 111.9 | N164 F168 I169 L170 V278 F279 Y285 L288 I290 T292 | N164-K166 VanDerWaalsContact C-N 3.34Å; N164-K166 PolarHBondContact O-N 2.88Å; K166-F168 VanDerWaalsContact C-N 3.32Å; K166-F168 PolarHBondContact O-N 3.2Å; K166-I169 PolarHBondContact O-N 3.1Å; K166-L170 HydrophobicContact CG-CD1 4.32Å; K166-L170 WeakPolarHBondContact O-CG 3.42Å; K166-L170 PolarHBondContact O-N 3.48Å; K166-V278 HydrophobicContact CB-CG1 4.05Å; K166-F279 HydrophobicContact CD-CD1 4.32Å; K166-F279 HydrophobicContact CG-CD1 4.02Å; K166-F279 HydrophobicContact CG-CE1 4.1Å; K166-Y285 PolarHBondContact NZ-O 3.35Å; K166-L288 WeakPolarHBondContact CE-O 2.99Å; K166-L288 PolarHBondContact NZ-O 3.36Å; K166-L288 VanDerWaalsContact NZ-O 3.1Å; K166-I290 PolarHBondContact NZ-O 3.45Å; K166-T292 PolarHBondContact NZ-OG1 3.37Å |
| 167 | F | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 12.7 Ų | 12.7 | 0% | 0.004 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -64.3 | -40.1 | 179.5 | -52.6 | -32.6 | 0 | 0 | 0 | 111.5 | K68 T69 T72 N164 Y165 L170 F171 P289 I290 F291 | K68-F167 HydrophobicContact CB-CB 4.07Å; K68-F167 HydrophobicContact CB-CD1 4.27Å; K68-F167 HydrophobicContact CB-CD2 3.87Å; K68-F167 HydrophobicContact CB-CE2 4.41Å; K68-F167 HydrophobicContact CB-CG 3.8Å; K68-F167 VanDerWaalsContact CE-CZ 3.49Å; T69-F167 WeakPolarHBondContact OG1-CB 3.46Å; T69-F167 PolarHBondContact OG1-O 3.46Å; T72-F167 HydrophobicContact CG2-CD2 4.36Å; T72-F167 HydrophobicContact CG2-CE2 3.97Å; T72-F167 WeakPolarHBondContact OG1-CE2 3.42Å; N164-F167 HydrophobicContact CB-CD2 3.92Å; N164-F167 WeakPolarHBondContact O-CB 3.27Å; N164-F167 PolarHBondContact O-N 3.4Å; Y165-F167 VanDerWaalsContact C-N 3.29Å; Y165-F167 PolarHBondContact O-N 3.43Å; F167-L170 PolarHBondContact O-N 3.1Å; F167-F171 VanDerWaalsContact O-CB 3.29Å; F167-F171 WeakPolarHBondContact O-CB 3.5Å; F167-F171 PolarHBondContact O-N 2.8Å; F167-P289 HydrophobicContact CD1-CB 4.28Å; F167-P289 VanDerWaalsContact CE1-O 3.3Å; F167-P289 WeakPolarHBondContact CE1-O 3.43Å; F167-I290 VanDerWaalsContact CE1-C 3.45Å; F167-F291 HydrophobicContact CZ-CB 3.93Å |
| 168 | F | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 11.4 Ų | 11.4 | 1% | 0.009 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -62.5 | -44.6 | 175 | 177.1 | -103.4 | 0 | 0 | 0 | 112 | T69 H151 V160 N164 Y165 K166 L170 F171 L172 L235 H239 | T69-F168 HydrophobicContact CG2-CB 3.95Å; T69-F168 HydrophobicContact CG2-CD2 4.11Å; T69-F168 PolarHBondContact OG1-N 2.77Å; H151-F168 AromaticContact CE1-CE1 3.77Å; H151-F168 AromaticContact CE1-CZ 3.6Å; H151-F168 AromaticContact NE2-CZ 3.86Å; V160-F168 HydrophobicContact CG1-CB 3.85Å; V160-F168 HydrophobicContact CG1-CD1 4.02Å; V160-F168 HydrophobicContact CG1-CG 3.89Å; V160-F168 HydrophobicContact CG2-CB 4.34Å; V160-F168 HydrophobicContact CG2-CD2 3.87Å; V160-F168 HydrophobicContact CG2-CE2 4.35Å; V160-F168 HydrophobicContact CG2-CG 4.04Å; N164-F168 PolarHBondContact O-N 2.91Å; Y165-F168 HydrophobicContact CE2-CD1 4.48Å; Y165-F168 WeakPolarHBondContact O-CB 3.35Å; Y165-F168 PolarHBondContact O-N 2.97Å; Y165-F168 VanDerWaalsContact O-N 3.15Å; K166-F168 VanDerWaalsContact C-N 3.32Å; K166-F168 PolarHBondContact O-N 3.2Å; F168-L170 PolarHBondContact O-N 2.95Å; F168-F171 HydrophobicContact CD2-CD1 4.11Å; F168-F171 HydrophobicContact CE2-CD1 4.37Å; F168-F171 WeakPolarHBondContact O-CB 3.29Å; F168-F171 PolarHBondContact O-N 3.02Å; F168-L172 HydrophobicContact CD1-CD1 4.22Å; F168-L172 HydrophobicContact CE1-CD1 3.58Å; F168-L172 HydrophobicContact CE1-CG 4.21Å; F168-L172 HydrophobicContact CE2-CD2 4.3Å; F168-L172 HydrophobicContact CE2-CG 4.38Å; F168-L172 HydrophobicContact CZ-CD1 3.77Å; F168-L172 HydrophobicContact CZ-CD2 4.17Å; F168-L172 HydrophobicContact CZ-CG 4.1Å; F168-L172 WeakPolarHBondContact O-CG 3.12Å; F168-L172 PolarHBondContact O-N 3.26Å; F168-L235 HydrophobicContact CZ-CD2 4.34Å; F168-H239 AromaticContact CE1-CD2 3.79Å; F168-H239 AromaticContact CE1-CE1 3.82Å; F168-H239 AromaticContact CE1-NE2 3.59Å |
| 169 | I | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 11.3 Ų | 11.3 | 2% | 0.015 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -61.3 | -44.2 | 175.7 | -57.6 | -58.6 | 0 | 0 | 0 | 111.3 | Y165 K166 L172 A173 F236 H239 V243 F279 | Y165-I169 HydrophobicContact CE1-CD1 4.34Å; Y165-I169 HydrophobicContact CE1-CG1 4.37Å; Y165-I169 HydrophobicContact CE2-CD1 4.17Å; Y165-I169 WeakPolarHBondContact O-CG1 3.39Å; Y165-I169 PolarHBondContact O-N 2.78Å; K166-I169 PolarHBondContact O-N 3.1Å; I169-L172 PolarHBondContact O-N 3.48Å; I169-A173 PolarHBondContact O-N 2.81Å; I169-F236 HydrophobicContact CG2-CE2 3.95Å; I169-H239 HydrophobicContact CD1-CB 3.54Å; I169-V243 HydrophobicContact CD1-CG2 4.2Å; I169-V243 HydrophobicContact CG1-CG2 4.29Å; I169-F279 HydrophobicContact CB-CZ 4.23Å; I169-F279 HydrophobicContact CG2-CZ 3.77Å |
| 170 | L | 98.9 | Very high | 98.7 | Very high | 6 Ų | 6 | 15.6 Ų | 15.6 | 3% | 0.031 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65.4 | -38.4 | 176.1 | -71 | 178.1 | 0 | 0 | 0 | 112.3 | K166 F167 F168 L172 A173 Y174 F279 W286 L288 P289 | K166-L170 HydrophobicContact CG-CD1 4.32Å; K166-L170 WeakPolarHBondContact O-CG 3.42Å; K166-L170 PolarHBondContact O-N 3.48Å; F167-L170 PolarHBondContact O-N 3.1Å; F168-L170 PolarHBondContact O-N 2.95Å; L170-L172 PolarHBondContact O-N 3.47Å; L170-A173 PolarHBondContact O-N 3.24Å; L170-Y174 HydrophobicContact CB-CD2 4.2Å; L170-Y174 HydrophobicContact CB-CE2 4.17Å; L170-Y174 HydrophobicContact CD2-CE2 4.07Å; L170-Y174 WeakPolarHBondContact O-CB 3.42Å; L170-Y174 WeakPolarHBondContact O-CD2 3.44Å; L170-Y174 PolarHBondContact O-N 2.88Å; L170-F279 HydrophobicContact CD2-CE1 4.23Å; L170-F279 HydrophobicContact CG-CE1 4.44Å; L170-W286 WeakPolarHBondContact CD2-O 3.36Å; L170-L288 WeakPolarHBondContact CD1-O 3.5Å; L170-P289 HydrophobicContact CD1-CG 4.29Å |
| 171 | F | 98.9 | Very high | 98.7 | Very high | 19 Ų | 19 | 17 Ų | 17 | 8% | 0.083 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -58.9 | -46.5 | 173.6 | 158.9 | -115 | 0 | 0 | 0 | 111 | F62 S65 Y66 V156 F167 F168 S175 | F62-F171 HydrophobicContact CD2-CD2 4.42Å; F62-F171 HydrophobicContact CD2-CE2 4.4Å; F62-F171 HydrophobicContact CE2-CD2 4.15Å; F62-F171 AromaticContact CE2-CE2 3.69Å; F62-F171 HydrophobicContact CE2-CE2 3.69Å; F62-F171 HydrophobicContact CZ-CE2 4.28Å; S65-F171 WeakPolarHBondContact OG-CA 3.13Å; Y66-F171 AromaticContact CD2-CD2 3.7Å; Y66-F171 HydrophobicContact CD2-CD2 3.7Å; Y66-F171 HydrophobicContact CD2-CE1 4.34Å; Y66-F171 AromaticContact CD2-CE2 3.34Å; Y66-F171 HydrophobicContact CD2-CE2 3.34Å; Y66-F171 HydrophobicContact CD2-CG 4.33Å; Y66-F171 AromaticContact CD2-CZ 3.7Å; Y66-F171 HydrophobicContact CD2-CZ 3.7Å; Y66-F171 HydrophobicContact CE2-CE2 4.02Å; Y66-F171 AromaticContact CE2-CZ 3.97Å; Y66-F171 HydrophobicContact CE2-CZ 3.97Å; Y66-F171 HydrophobicContact CG-CD2 4.13Å; Y66-F171 AromaticContact CG-CE2 3.94Å; Y66-F171 HydrophobicContact CG-CE2 3.94Å; V156-F171 HydrophobicContact CG1-CE1 4.48Å; F167-F171 VanDerWaalsContact O-CB 3.29Å; F167-F171 WeakPolarHBondContact O-CB 3.5Å; F167-F171 PolarHBondContact O-N 2.8Å; F168-F171 HydrophobicContact CD2-CD1 4.11Å; F168-F171 HydrophobicContact CE2-CD1 4.37Å; F168-F171 WeakPolarHBondContact O-CB 3.29Å; F168-F171 PolarHBondContact O-N 3.02Å; F171-S175 WeakPolarHBondContact CD2-OG 3.11Å; F171-S175 VanDerWaalsContact CE2-OG 3.23Å; F171-S175 WeakPolarHBondContact CE2-OG 3.46Å; F171-S175 WeakPolarHBondContact O-CB 3.25Å; F171-S175 PolarHBondContact O-N 2.83Å; F171-S175 PolarHBondContact O-OG 3.27Å |
| 172 | L | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.005 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.2 | -44.7 | 175.1 | -64.9 | -178.3 | 0 | 0 | 0 | 111.9 | F168 I169 L170 S175 L176 I232 L235 F236 | F168-L172 HydrophobicContact CD1-CD1 4.22Å; F168-L172 HydrophobicContact CE1-CD1 3.58Å; F168-L172 HydrophobicContact CE1-CG 4.21Å; F168-L172 HydrophobicContact CE2-CD2 4.3Å; F168-L172 HydrophobicContact CE2-CG 4.38Å; F168-L172 HydrophobicContact CZ-CD1 3.77Å; F168-L172 HydrophobicContact CZ-CD2 4.17Å; F168-L172 HydrophobicContact CZ-CG 4.1Å; F168-L172 WeakPolarHBondContact O-CG 3.12Å; F168-L172 PolarHBondContact O-N 3.26Å; I169-L172 PolarHBondContact O-N 3.48Å; L170-L172 PolarHBondContact O-N 3.47Å; L172-S175 PolarHBondContact O-N 2.73Å; L172-L176 WeakPolarHBondContact O-CB 3.38Å; L172-L176 PolarHBondContact O-N 3.32Å; L172-I232 HydrophobicContact CB-CG2 4.48Å; L172-I232 HydrophobicContact CD2-CD1 4.1Å; L172-I232 HydrophobicContact CD2-CG2 4.38Å; L172-I232 WeakPolarHBondContact O-CG2 3.34Å; L172-L235 HydrophobicContact CD1-CD2 4.27Å; L172-L235 HydrophobicContact CD1-CG 3.98Å; L172-L235 HydrophobicContact CD2-CD2 3.81Å; L172-L235 HydrophobicContact CD2-CG 4.33Å; L172-F236 HydrophobicContact CB-CB 4.19Å; L172-F236 HydrophobicContact CB-CD2 3.73Å; L172-F236 HydrophobicContact CB-CG 4.34Å |
| 173 | A | 98.8 | Very high | 98.6 | Very high | 23 Ų | 23 | 17 Ų | 17 | 19% | 0.19 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61 | -49.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I169 L170 L176 V177 F236 | I169-A173 PolarHBondContact O-N 2.81Å; L170-A173 PolarHBondContact O-N 3.24Å; A173-L176 WeakPolarHBondContact O-CB 3.32Å; A173-L176 PolarHBondContact O-N 3.5Å; A173-V177 WeakPolarHBondContact O-CG2 3.39Å; A173-V177 PolarHBondContact O-N 2.81Å; A173-F236 HydrophobicContact CB-CE2 3.73Å; A173-F236 HydrophobicContact CB-CZ 3.77Å |
| 174 | Y | 98.8 | Very high | 98.5 | Very high | 33 Ų | 33 | 19.4 Ų | 19.4 | 13% | 0.129 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -72.2 | -29.3 | 179.5 | -70.1 | -57.3 | 0 | 0 | 0 | 112.9 | M61 L170 L176 Y178 L287 | M61-Y174 HydrophobicContact CB-CD1 3.58Å; M61-Y174 HydrophobicContact CB-CD2 3.93Å; M61-Y174 HydrophobicContact CB-CE1 3.69Å; M61-Y174 HydrophobicContact CB-CE2 4.03Å; M61-Y174 HydrophobicContact CB-CG 3.73Å; M61-Y174 HydrophobicContact CE-CE1 4.29Å; M61-Y174 HydrophobicContact CE-CE2 3.62Å; M61-Y174 VanDerWaalsContact CE-CZ 3.49Å; M61-Y174 WeakPolarHBondContact CE-OH 3.45Å; M61-Y174 HydrophobicContact CG-CD1 4.44Å; M61-Y174 HydrophobicContact CG-CE1 4.09Å; L170-Y174 HydrophobicContact CB-CD2 4.2Å; L170-Y174 HydrophobicContact CB-CE2 4.17Å; L170-Y174 HydrophobicContact CD2-CE2 4.07Å; L170-Y174 WeakPolarHBondContact O-CB 3.42Å; L170-Y174 WeakPolarHBondContact O-CD2 3.44Å; L170-Y174 PolarHBondContact O-N 2.88Å; Y174-L176 VanDerWaalsContact C-N 3.33Å; Y174-Y178 WeakPolarHBondContact O-CB 3.46Å; Y174-Y178 PolarHBondContact O-N 2.81Å; Y174-L287 WeakPolarHBondContact OH-CB 2.96Å; Y174-L287 PolarHBondContact OH-O 3.34Å |
| 175 | S | 98.7 | Very high | 98.3 | Very high | 6 Ų | 6 | 19.8 Ų | 19.8 | 4% | 0.042 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.7 | -43.7 | 168.9 | -60.9 | 0 | 0 | 0 | 0 | 111.1 | F62 F171 L172 Y178 C179 | F62-S175 WeakPolarHBondContact CD2-OG 3.38Å; F62-S175 WeakPolarHBondContact CE2-OG 3.4Å; F171-S175 WeakPolarHBondContact CD2-OG 3.11Å; F171-S175 VanDerWaalsContact CE2-OG 3.23Å; F171-S175 WeakPolarHBondContact CE2-OG 3.46Å; F171-S175 WeakPolarHBondContact O-CB 3.25Å; F171-S175 PolarHBondContact O-N 2.83Å; F171-S175 PolarHBondContact O-OG 3.27Å; L172-S175 PolarHBondContact O-N 2.73Å; S175-Y178 PolarHBondContact O-N 2.72Å; S175-C179 WeakPolarHBondContact O-CB 3.24Å; S175-C179 PolarHBondContact O-N 3.24Å; S175-C179 PolarHBondContact O-SG 3.24Å |
| 176 | L | 98.6 | Very high | 98.1 | Very high | 18 Ų | 18 | 19.3 Ų | 19.3 | 9% | 0.094 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.4 | -47.2 | 177.8 | -177.4 | 62.3 | 0 | 0 | 0 | 111.3 | L172 A173 Y174 Y178 C179 L180 I232 L233 F236 | L172-L176 WeakPolarHBondContact O-CB 3.38Å; L172-L176 PolarHBondContact O-N 3.32Å; A173-L176 WeakPolarHBondContact O-CB 3.32Å; A173-L176 PolarHBondContact O-N 3.5Å; Y174-L176 VanDerWaalsContact C-N 3.33Å; L176-Y178 VanDerWaalsContact C-N 3.33Å; L176-Y178 PolarHBondContact O-N 3.44Å; L176-C179 PolarHBondContact O-N 3.46Å; L176-L180 HydrophobicContact CD1-CD1 3.93Å; L176-L180 HydrophobicContact CD1-CG 4.05Å; L176-L180 HydrophobicContact CD2-CD1 4.47Å; L176-L180 HydrophobicContact CG-CD1 3.79Å; L176-L180 HydrophobicContact CG-CG 4.33Å; L176-L180 VanDerWaalsContact O-CB 3.27Å; L176-L180 WeakPolarHBondContact O-CB 3.18Å; L176-L180 WeakPolarHBondContact O-CG 3.38Å; L176-L180 PolarHBondContact O-N 3.46Å; L176-I232 HydrophobicContact CB-CG2 4.12Å; L176-L233 HydrophobicContact CD1-CB 3.99Å; L176-L233 HydrophobicContact CD1-CD1 4.38Å; L176-L233 HydrophobicContact CD2-CD1 3.79Å; L176-F236 HydrophobicContact CD2-CD1 4.04Å |
| 177 | V | 98.7 | Very high | 97.9 | Very high | 57 Ų | 57 | 22.8 Ų | 22.8 | 35% | 0.345 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -58.9 | -45.4 | 175.9 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | F54 A173 F181 | F54-V177 HydrophobicContact CE1-CG1 4.15Å; F54-V177 HydrophobicContact CZ-CG1 4.16Å; A173-V177 WeakPolarHBondContact O-CG2 3.39Å; A173-V177 PolarHBondContact O-N 2.81Å; V177-F181 WeakPolarHBondContact O-CB 3.2Å; V177-F181 PolarHBondContact O-N 3.36Å |
| 178 | Y | 98.5 | Very high | 97.5 | Very high | 10 Ų | 10 | 26.9 Ų | 26.9 | 4% | 0.039 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.3 | -49.8 | 177.8 | -177 | -108.9 | 0 | 0 | 0 | 111.7 | S29 F55 F59 Y174 S175 L176 F181 I182 | S29-Y178 PolarHBondContact OG-OH 2.83Å; F55-Y178 HydrophobicContact CD2-CE2 4.12Å; F55-Y178 HydrophobicContact CE2-CD2 4.37Å; F55-Y178 AromaticContact CE2-CE2 3.41Å; F55-Y178 HydrophobicContact CE2-CE2 3.41Å; F55-Y178 VanDerWaalsContact CE2-CE2 3.41Å; F55-Y178 AromaticContact CE2-CZ 3.87Å; F55-Y178 AromaticContact CZ-CE2 3.7Å; F55-Y178 HydrophobicContact CZ-CE2 3.7Å; F55-Y178 AromaticContact CZ-CZ 3.99Å; F55-Y178 WeakPolarHBondContact CZ-OH 3.21Å; F59-Y178 HydrophobicContact CB-CE2 4.1Å; F59-Y178 AromaticContact CD2-CE2 3.93Å; F59-Y178 HydrophobicContact CD2-CE2 3.93Å; Y174-Y178 WeakPolarHBondContact O-CB 3.46Å; Y174-Y178 PolarHBondContact O-N 2.81Å; S175-Y178 PolarHBondContact O-N 2.72Å; L176-Y178 VanDerWaalsContact C-N 3.33Å; L176-Y178 PolarHBondContact O-N 3.44Å; Y178-F181 PolarHBondContact O-N 3.41Å; Y178-I182 HydrophobicContact CD1-CD1 3.84Å; Y178-I182 HydrophobicContact CD2-CD1 4.24Å; Y178-I182 HydrophobicContact CE1-CD1 3.42Å; Y178-I182 VanDerWaalsContact CE1-CD1 3.42Å; Y178-I182 HydrophobicContact CE2-CD1 3.86Å; Y178-I182 HydrophobicContact CG-CD1 4.23Å; Y178-I182 VanDerWaalsContact CZ-CD1 3.44Å; Y178-I182 VanDerWaalsContact O-CG1 3.31Å; Y178-I182 WeakPolarHBondContact O-CG1 3.27Å; Y178-I182 PolarHBondContact O-N 3.47Å |
| 179 | C | 98.4 | Very high | 96.9 | Very high | 13 Ų | 13 | 27.6 Ų | 27.6 | 9% | 0.088 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.8 | -43.9 | -179.8 | -65.5 | 0 | 0 | 0 | 0 | 112.5 | S175 L176 I182 A183 C229 | S175-C179 WeakPolarHBondContact O-CB 3.24Å; S175-C179 PolarHBondContact O-N 3.24Å; S175-C179 PolarHBondContact O-SG 3.24Å; L176-C179 PolarHBondContact O-N 3.46Å; C179-I182 PolarHBondContact O-N 3.38Å; C179-A183 VanDerWaalsContact O-CB 3.27Å; C179-A183 WeakPolarHBondContact O-CB 3.29Å; C179-A183 PolarHBondContact O-N 3.42Å; C179-C229 HydrophobicContact CB-CB 3.87Å |
| 180 | L | 98 | Very high | 96.3 | Very high | 90 Ų | 90 | 28.8 Ų | 28.8 | 47% | 0.471 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61.6 | -44.8 | 177.2 | -79.8 | 171.9 | 0 | 0 | 0 | 111.3 | L176 A183 A184 C229 | L176-L180 HydrophobicContact CD1-CD1 3.93Å; L176-L180 HydrophobicContact CD1-CG 4.05Å; L176-L180 HydrophobicContact CD2-CD1 4.47Å; L176-L180 HydrophobicContact CG-CD1 3.79Å; L176-L180 HydrophobicContact CG-CG 4.33Å; L176-L180 VanDerWaalsContact O-CB 3.27Å; L176-L180 WeakPolarHBondContact O-CB 3.18Å; L176-L180 WeakPolarHBondContact O-CG 3.38Å; L176-L180 PolarHBondContact O-N 3.46Å; L180-A183 PolarHBondContact O-N 2.87Å; L180-A184 WeakPolarHBondContact O-CB 3.47Å; L180-A184 PolarHBondContact O-N 2.83Å; L180-C229 WeakPolarHBondContact CD2-SG 3.19Å; L180-C229 VanDerWaalsContact CG-SG 3.59Å |
| 181 | F | 98.1 | Very high | 95.8 | Very high | 29 Ų | 29 | 32.7 Ų | 32.7 | 13% | 0.127 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.3 | -47.1 | 178.8 | 178.6 | -104 | 0 | 0 | 0 | 111.6 | Y33 Y51 F54 F55 V177 Y178 T185 | Y33-F181 HydrophobicContact CE1-CE1 4.05Å; Y33-F181 HydrophobicContact CE2-CE1 4.48Å; Y33-F181 AromaticContact CZ-CE1 3.64Å; Y33-F181 WeakPolarHBondContact OH-CE1 3.29Å; Y33-F181 WeakPolarHBondContact OH-CZ 3.18Å; Y51-F181 HydrophobicContact CG-CZ 4.5Å; F54-F181 HydrophobicContact CB-CE1 4.46Å; F54-F181 HydrophobicContact CB-CE2 3.85Å; F54-F181 HydrophobicContact CB-CZ 3.8Å; F54-F181 HydrophobicContact CD1-CB 4.15Å; F54-F181 AromaticContact CD1-CD1 3.78Å; F54-F181 HydrophobicContact CD1-CD1 3.78Å; F54-F181 AromaticContact CD1-CD2 3.11Å; F54-F181 HydrophobicContact CD1-CD2 3.11Å; F54-F181 AromaticContact CD1-CE1 3.91Å; F54-F181 HydrophobicContact CD1-CE1 3.91Å; F54-F181 AromaticContact CD1-CE2 3.26Å; F54-F181 HydrophobicContact CD1-CE2 3.26Å; F54-F181 AromaticContact CD1-CG 3.38Å; F54-F181 HydrophobicContact CD1-CG 3.38Å; F54-F181 AromaticContact CD1-CZ 3.67Å; F54-F181 HydrophobicContact CD1-CZ 3.67Å; F54-F181 HydrophobicContact CE1-CB 3.78Å; F54-F181 HydrophobicContact CE1-CD1 4.28Å; F54-F181 AromaticContact CE1-CD2 3.34Å; F54-F181 HydrophobicContact CE1-CD2 3.34Å; F54-F181 AromaticContact CE1-CE2 3.98Å; F54-F181 HydrophobicContact CE1-CE2 3.98Å; F54-F181 AromaticContact CE1-CG 3.52Å; F54-F181 HydrophobicContact CE1-CG 3.52Å; F54-F181 AromaticContact CG-CD2 3.97Å; F54-F181 HydrophobicContact CG-CD2 3.97Å; F54-F181 AromaticContact CG-CE2 3.69Å; F54-F181 HydrophobicContact CG-CE2 3.69Å; F54-F181 HydrophobicContact CG-CZ 4.07Å; F54-F181 HydrophobicContact CZ-CD2 4.33Å; F55-F181 HydrophobicContact CB-CE1 3.84Å; F55-F181 HydrophobicContact CD2-CD1 4.34Å; F55-F181 HydrophobicContact CD2-CE1 4.22Å; V177-F181 WeakPolarHBondContact O-CB 3.2Å; V177-F181 PolarHBondContact O-N 3.36Å; Y178-F181 PolarHBondContact O-N 3.41Å; F181-T185 HydrophobicContact CD2-CG2 4.05Å; F181-T185 HydrophobicContact CE1-CG2 4.37Å; F181-T185 HydrophobicContact CE2-CG2 3.64Å; F181-T185 HydrophobicContact CZ-CG2 3.82Å; F181-T185 WeakPolarHBondContact O-CB 3.46Å; F181-T185 WeakPolarHBondContact O-CG2 3.38Å; F181-T185 PolarHBondContact O-N 2.71Å; F181-T185 PolarHBondContact O-OG1 2.96Å |
| 182 | I | 97.9 | Very high | 95.1 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.015 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.4 | -52.7 | 174.5 | -69.2 | 171 | 0 | 0 | 0 | 110.2 | Y33 F55 Y178 C179 A184 T185 V186 L221 A225 | Y33-I182 HydrophobicContact CD2-CB 4.49Å; Y33-I182 HydrophobicContact CD2-CG1 3.94Å; Y33-I182 HydrophobicContact CD2-CG2 4.29Å; Y33-I182 HydrophobicContact CE2-CG1 4.17Å; F55-I182 HydrophobicContact CD2-CG1 4.45Å; F55-I182 HydrophobicContact CE2-CD1 4.03Å; F55-I182 HydrophobicContact CE2-CG1 4.07Å; Y178-I182 HydrophobicContact CD1-CD1 3.84Å; Y178-I182 HydrophobicContact CD2-CD1 4.24Å; Y178-I182 HydrophobicContact CE1-CD1 3.42Å; Y178-I182 VanDerWaalsContact CE1-CD1 3.42Å; Y178-I182 HydrophobicContact CE2-CD1 3.86Å; Y178-I182 HydrophobicContact CG-CD1 4.23Å; Y178-I182 VanDerWaalsContact CZ-CD1 3.44Å; Y178-I182 VanDerWaalsContact O-CG1 3.31Å; Y178-I182 WeakPolarHBondContact O-CG1 3.27Å; Y178-I182 PolarHBondContact O-N 3.47Å; C179-I182 PolarHBondContact O-N 3.38Å; I182-A184 PolarHBondContact O-N 2.62Å; I182-T185 PolarHBondContact O-N 3.4Å; I182-T185 PolarHBondContact O-OG1 3.33Å; I182-V186 HydrophobicContact CG2-CG2 3.91Å; I182-V186 WeakPolarHBondContact O-CB 3.3Å; I182-V186 WeakPolarHBondContact O-CG2 3.32Å; I182-V186 PolarHBondContact O-N 2.86Å; I182-L221 HydrophobicContact CG2-CD1 3.93Å; I182-L221 HydrophobicContact CG2-CD2 3.99Å; I182-L221 HydrophobicContact CG2-CG 3.61Å; I182-A225 HydrophobicContact CB-CB 4.05Å; I182-A225 HydrophobicContact CG2-CB 3.63Å |
| 183 | A | 97.2 | Very high | 94.2 | Very high | 14 Ų | 14 | 38 Ų | 38 | 12% | 0.116 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.9 | -45.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112 | C179 L180 L187 F222 A225 | C179-A183 VanDerWaalsContact O-CB 3.27Å; C179-A183 WeakPolarHBondContact O-CB 3.29Å; C179-A183 PolarHBondContact O-N 3.42Å; L180-A183 PolarHBondContact O-N 2.87Å; A183-L187 VanDerWaalsContact O-CB 3.31Å; A183-L187 WeakPolarHBondContact O-CB 3.49Å; A183-L187 PolarHBondContact O-N 2.85Å; A183-F222 HydrophobicContact CB-CE2 4.38Å; A183-A225 HydrophobicContact CB-CB 4.33Å |
| 184 | A | 96.6 | Very high | 93.1 | Very high | 66 Ų | 66 | 43 Ų | 43 | 55% | 0.545 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.9 | -46.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L180 I182 | L180-A184 WeakPolarHBondContact O-CB 3.47Å; L180-A184 PolarHBondContact O-N 2.83Å; I182-A184 PolarHBondContact O-N 2.62Å |
| 185 | T | 95.7 | Very high | 92.2 | Very high | 9 Ų | 9 | 44.8 Ų | 44.8 | 6% | 0.055 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -72.6 | -35.4 | -179 | 54.1 | 0 | 0 | 0 | 0 | 112.3 | Y33 Y51 F181 I182 Q188 Y189 | Y33-T185 VanDerWaalsContact CE2-OG1 3.27Å; Y33-T185 WeakPolarHBondContact CE2-OG1 3.32Å; Y33-T185 WeakPolarHBondContact OH-CB 3.43Å; Y33-T185 PolarHBondContact OH-OG1 2.97Å; Y51-T185 HydrophobicContact CD1-CG2 4.26Å; Y51-T185 HydrophobicContact CD2-CG2 4.07Å; Y51-T185 HydrophobicContact CE1-CG2 3.86Å; Y51-T185 HydrophobicContact CE2-CG2 3.66Å; Y51-T185 HydrophobicContact CG-CG2 4.36Å; F181-T185 HydrophobicContact CD2-CG2 4.05Å; F181-T185 HydrophobicContact CE1-CG2 4.37Å; F181-T185 HydrophobicContact CE2-CG2 3.64Å; F181-T185 HydrophobicContact CZ-CG2 3.82Å; F181-T185 WeakPolarHBondContact O-CB 3.46Å; F181-T185 WeakPolarHBondContact O-CG2 3.38Å; F181-T185 PolarHBondContact O-N 2.71Å; F181-T185 PolarHBondContact O-OG1 2.96Å; I182-T185 PolarHBondContact O-N 3.4Å; I182-T185 PolarHBondContact O-OG1 3.33Å; T185-Q188 VanDerWaalsContact O-CG 3.29Å; T185-Q188 WeakPolarHBondContact O-CG 3.4Å; T185-Y189 VanDerWaalsContact O-CD2 3.29Å; T185-Y189 WeakPolarHBondContact O-CD2 3.46Å |
| 186 | V | 94.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -73.7 | -29.2 | 177.7 | 177 | 0 | 0 | 0 | 0 | 111.9 | Y33 L37 I182 Q188 Y189 F190 V218 L221 F222 | Y33-V186 HydrophobicContact CD2-CG2 4.28Å; Y33-V186 HydrophobicContact CE2-CG2 4.18Å; L37-V186 HydrophobicContact CD2-CG2 3.86Å; I182-V186 HydrophobicContact CG2-CG2 3.91Å; I182-V186 WeakPolarHBondContact O-CB 3.3Å; I182-V186 WeakPolarHBondContact O-CG2 3.32Å; I182-V186 PolarHBondContact O-N 2.86Å; V186-Q188 VanDerWaalsContact C-N 3.32Å; V186-Q188 PolarHBondContact O-N 3.43Å; V186-Y189 CarbonylContact O-C 3.48Å; V186-Y189 WeakPolarHBondContact O-CA 3.47Å; V186-Y189 PolarHBondContact O-N 3.49Å; V186-F190 WeakPolarHBondContact O-CB 3.33Å; V186-F190 PolarHBondContact O-N 3.25Å; V186-V218 HydrophobicContact CG1-CG1 3.82Å; V186-L221 HydrophobicContact CG2-CD2 4.06Å; V186-L221 HydrophobicContact CG2-CG 4.47Å; V186-F222 HydrophobicContact CB-CD2 4.45Å; V186-F222 HydrophobicContact CG1-CB 3.8Å; V186-F222 HydrophobicContact CG1-CD2 4.35Å |
| 187 | L | 93.8 | Very high | 89.1 | Confident | 75 Ų | 75 | 49 Ų | 49 | 39% | 0.393 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -51.9 | -45.2 | -175 | 178.7 | 60.6 | 0 | 0 | 0 | 113.3 | A183 Y189 F190 I191 F222 | A183-L187 VanDerWaalsContact O-CB 3.31Å; A183-L187 WeakPolarHBondContact O-CB 3.49Å; A183-L187 PolarHBondContact O-N 2.85Å; L187-Y189 VanDerWaalsContact C-N 3.33Å; L187-Y189 PolarHBondContact O-N 2.93Å; L187-F190 WeakPolarHBondContact O-CB 3.38Å; L187-F190 PolarHBondContact O-N 3.49Å; L187-I191 HydrophobicContact CD1-CD1 4Å; L187-I191 HydrophobicContact CD1-CG1 4.23Å; L187-I191 HydrophobicContact CG-CD1 3.98Å; L187-I191 VanDerWaalsContact O-CG1 3.28Å; L187-I191 WeakPolarHBondContact O-CG1 3.34Å; L187-I191 PolarHBondContact O-N 3.04Å; L187-F222 HydrophobicContact CB-CE2 4.03Å; L187-F222 HydrophobicContact CD1-CE2 3.83Å; L187-F222 HydrophobicContact CD1-CZ 3.84Å |
| 188 | Q | 90.2 | Very high | 87.6 | Confident | 88 Ų | 88 | 54.5 Ų | 54.5 | 41% | 0.411 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.4 | -39.4 | 178.2 | 49.2 | 166.3 | -10.1 | 0 | 0 | 112.5 | E47 Y51 T185 V186 K192 | E47-Q188 PolarHBondContact OE1-NE2 3.42Å; Y51-Q188 PolarHBondContact OH-NE2 3.04Å; T185-Q188 VanDerWaalsContact O-CG 3.29Å; T185-Q188 WeakPolarHBondContact O-CG 3.4Å; V186-Q188 VanDerWaalsContact C-N 3.32Å; V186-Q188 PolarHBondContact O-N 3.43Å; Q188-K192 WeakPolarHBondContact O-CB 3.46Å; Q188-K192 PolarHBondContact O-N 2.97Å |
| 189 | Y | 87.1 | Confident | 85.9 | Confident | 16 Ų | 16 | 61 Ų | 61 | 6% | 0.063 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -72.6 | -39.3 | 177.1 | -64.1 | -81.7 | 0 | 0 | 0 | 111.2 | L37 T41 I42 E47 Y51 T185 V186 L187 I191 K192 F193 | L37-Y189 HydrophobicContact CD1-CD1 4.04Å; L37-Y189 HydrophobicContact CD1-CD2 3.59Å; L37-Y189 HydrophobicContact CD1-CE1 4.47Å; L37-Y189 HydrophobicContact CD1-CE2 4.08Å; L37-Y189 HydrophobicContact CD1-CG 3.6Å; T41-Y189 HydrophobicContact CG2-CD1 3.58Å; T41-Y189 HydrophobicContact CG2-CE1 3.93Å; T41-Y189 HydrophobicContact CG2-CG 4.49Å; I42-Y189 HydrophobicContact CD1-CE2 4.2Å; I42-Y189 HydrophobicContact CG1-CE1 4.16Å; I42-Y189 HydrophobicContact CG1-CE2 4.25Å; I42-Y189 WeakPolarHBondContact CG1-OH 3.34Å; E47-Y189 PolarHBondContact OE1-OH 3.22Å; E47-Y189 PolarHBondContact OE2-OH 3.18Å; Y51-Y189 HydrophobicContact CE2-CE2 4.36Å; T185-Y189 VanDerWaalsContact O-CD2 3.29Å; T185-Y189 WeakPolarHBondContact O-CD2 3.46Å; V186-Y189 CarbonylContact O-C 3.48Å; V186-Y189 WeakPolarHBondContact O-CA 3.47Å; V186-Y189 PolarHBondContact O-N 3.49Å; L187-Y189 VanDerWaalsContact C-N 3.33Å; L187-Y189 PolarHBondContact O-N 2.93Å; Y189-I191 PolarHBondContact O-N 3.22Å; Y189-K192 WeakPolarHBondContact O-CB 3.34Å; Y189-K192 PolarHBondContact O-N 3.4Å; Y189-F193 WeakPolarHBondContact O-CD2 3.3Å; Y189-F193 WeakPolarHBondContact O-CG 3.38Å; Y189-F193 PolarHBondContact O-N 3.41Å |
| 190 | F | 86.9 | Confident | 84 | Confident | 28 Ų | 28 | 65.1 Ų | 65.1 | 12% | 0.123 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -55.5 | -50.4 | 172.4 | 179 | -84.7 | 0 | 0 | 0 | 110.9 | V186 L187 K192 F193 W194 L219 F222 F223 | V186-F190 WeakPolarHBondContact O-CB 3.33Å; V186-F190 PolarHBondContact O-N 3.25Å; L187-F190 WeakPolarHBondContact O-CB 3.38Å; L187-F190 PolarHBondContact O-N 3.49Å; F190-K192 VanDerWaalsContact C-N 3.35Å; F190-K192 PolarHBondContact O-N 3.06Å; F190-F193 PolarHBondContact O-N 2.82Å; F190-W194 HydrophobicContact CZ-CE3 4.32Å; F190-W194 WeakPolarHBondContact O-CB 3.45Å; F190-W194 PolarHBondContact O-N 3.27Å; F190-L219 HydrophobicContact CD2-CD2 3.37Å; F190-L219 HydrophobicContact CE2-CD2 3.46Å; F190-L219 VanDerWaalsContact CE2-CD2 3.46Å; F190-L219 HydrophobicContact CG-CD2 4.19Å; F190-L219 HydrophobicContact CZ-CD2 4.34Å; F190-F222 HydrophobicContact CB-CG 4.46Å; F190-F222 HydrophobicContact CD2-CB 3.86Å; F190-F222 AromaticContact CD2-CD1 3.76Å; F190-F222 HydrophobicContact CD2-CD1 3.76Å; F190-F222 AromaticContact CD2-CG 3.91Å; F190-F222 HydrophobicContact CD2-CG 3.91Å; F190-F222 HydrophobicContact CE2-CB 4.5Å; F190-F222 AromaticContact CE2-CD1 3.87Å; F190-F222 HydrophobicContact CE2-CD1 3.87Å; F190-F222 HydrophobicContact CE2-CG 4.45Å; F190-F222 HydrophobicContact CG-CB 4.5Å; F190-F222 HydrophobicContact CG-CD1 4.15Å; F190-F222 HydrophobicContact CG-CG 4.22Å; F190-F222 HydrophobicContact CZ-CD1 4.35Å; F190-F223 HydrophobicContact CE2-CD2 4.47Å; F190-F223 AromaticContact CE2-CE2 3.76Å; F190-F223 HydrophobicContact CE2-CE2 3.76Å; F190-F223 AromaticContact CE2-CZ 3.8Å; F190-F223 HydrophobicContact CE2-CZ 3.8Å; F190-F223 HydrophobicContact CZ-CE1 4.48Å; F190-F223 HydrophobicContact CZ-CE2 4.22Å; F190-F223 AromaticContact CZ-CZ 3.8Å; F190-F223 HydrophobicContact CZ-CZ 3.8Å |
| 191 | I | 87.6 | Confident | 82.1 | Confident | 89 Ų | 89 | 66.1 Ų | 66.1 | 46% | 0.456 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.1 | -45.2 | 176.9 | -67 | 165.1 | 0 | 0 | 0 | 110.5 | L187 Y189 W194 T195 | L187-I191 HydrophobicContact CD1-CD1 4Å; L187-I191 HydrophobicContact CD1-CG1 4.23Å; L187-I191 HydrophobicContact CG-CD1 3.98Å; L187-I191 VanDerWaalsContact O-CG1 3.28Å; L187-I191 WeakPolarHBondContact O-CG1 3.34Å; L187-I191 PolarHBondContact O-N 3.04Å; Y189-I191 PolarHBondContact O-N 3.22Å; I191-W194 PolarHBondContact O-N 3.02Å; I191-T195 HydrophobicContact CG2-CG2 4.1Å; I191-T195 WeakPolarHBondContact O-CB 3.48Å; I191-T195 VanDerWaalsContact O-CG2 3.28Å; I191-T195 WeakPolarHBondContact O-CG2 3.44Å; I191-T195 PolarHBondContact O-N 2.89Å; I191-T195 PolarHBondContact O-OG1 2.99Å |
| 192 | K | 83.8 | Confident | 80.3 | Confident | 120 Ų | 120 | 68.8 Ų | 68.8 | 52% | 0.522 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.5 | -48.8 | 177.8 | -174.8 | 178.3 | -179.8 | 179.9 | 0 | 111.9 | Q188 Y189 F190 T195 L196 | Q188-K192 WeakPolarHBondContact O-CB 3.46Å; Q188-K192 PolarHBondContact O-N 2.97Å; Y189-K192 WeakPolarHBondContact O-CB 3.34Å; Y189-K192 PolarHBondContact O-N 3.4Å; F190-K192 VanDerWaalsContact C-N 3.35Å; F190-K192 PolarHBondContact O-N 3.06Å; K192-T195 PolarHBondContact O-OG1 3.21Å; K192-L196 HydrophobicContact CG-CD1 3.87Å; K192-L196 HydrophobicContact CG-CG 4.5Å; K192-L196 VanDerWaalsContact O-CB 3.28Å; K192-L196 WeakPolarHBondContact O-CB 3.37Å; K192-L196 WeakPolarHBondContact O-CD1 3.43Å; K192-L196 WeakPolarHBondContact O-CG 3.08Å; K192-L196 PolarHBondContact O-N 3.35Å |
| 193 | F | 79.6 | Confident | 78.4 | Confident | 10 Ų | 10 | 74 Ų | 74 | 4% | 0.044 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.1 | -43.4 | 178 | -73.4 | -62.1 | 0 | 0 | 0 | 111.9 | T41 Y189 F190 C197 L210 K215 V218 | T41-F193 HydrophobicContact CG2-CE2 4.13Å; T41-F193 HydrophobicContact CG2-CZ 3.84Å; Y189-F193 WeakPolarHBondContact O-CD2 3.3Å; Y189-F193 WeakPolarHBondContact O-CG 3.38Å; Y189-F193 PolarHBondContact O-N 3.41Å; F190-F193 PolarHBondContact O-N 2.82Å; F193-C197 WeakPolarHBondContact O-CB 3.43Å; F193-C197 PolarHBondContact O-N 3.48Å; F193-C197 VanDerWaalsContact O-N 3.07Å; F193-C197 PolarHBondContact O-SG 3.35Å; F193-L210 HydrophobicContact CD1-CD2 3.4Å; F193-L210 HydrophobicContact CD1-CG 4.23Å; F193-L210 HydrophobicContact CE1-CD1 3.86Å; F193-L210 HydrophobicContact CE1-CD2 3.37Å; F193-L210 HydrophobicContact CE1-CG 3.69Å; F193-K215 HydrophobicContact CD1-CD 4.29Å; F193-K215 HydrophobicContact CD1-CG 3.79Å; F193-K215 HydrophobicContact CE1-CG 3.78Å; F193-V218 HydrophobicContact CD2-CB 4.36Å; F193-V218 HydrophobicContact CD2-CG1 3.78Å; F193-V218 HydrophobicContact CE2-CB 4.04Å; F193-V218 HydrophobicContact CE2-CG1 3.7Å; F193-V218 HydrophobicContact CE2-CG2 4.21Å |
| 194 | W | 76.5 | Confident | 76.3 | Confident | 129 Ų | 129 | 82.3 Ų | 82.3 | 49% | 0.489 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -67.1 | -44.7 | -178.1 | -163.1 | -98.3 | 0 | 0 | 0 | 112.8 | F190 I191 C197 R198 L219 | F190-W194 HydrophobicContact CZ-CE3 4.32Å; F190-W194 WeakPolarHBondContact O-CB 3.45Å; F190-W194 PolarHBondContact O-N 3.27Å; I191-W194 PolarHBondContact O-N 3.02Å; W194-C197 PolarHBondContact O-N 2.8Å; W194-R198 PolarHBondContact O-N 3.02Å; W194-L219 HydrophobicContact CE3-CD2 4.41Å |
| 195 | T | 78.9 | Confident | 74.1 | Confident | 70 Ų | 70 | 82.5 Ų | 82.5 | 43% | 0.429 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -69.1 | -39.3 | 179.3 | 52.7 | 0 | 0 | 0 | 0 | 112.3 | I191 K192 R198 R199 | I191-T195 HydrophobicContact CG2-CG2 4.1Å; I191-T195 WeakPolarHBondContact O-CB 3.48Å; I191-T195 VanDerWaalsContact O-CG2 3.28Å; I191-T195 WeakPolarHBondContact O-CG2 3.44Å; I191-T195 PolarHBondContact O-N 2.89Å; I191-T195 PolarHBondContact O-OG1 2.99Å; K192-T195 PolarHBondContact O-OG1 3.21Å; T195-R198 PolarHBondContact O-N 3.26Å; T195-R199 PolarHBondContact O-N 2.69Å; T195-R199 VanDerWaalsContact O-N 3.1Å |
| 196 | L | 70.4 | Confident | 71.8 | Confident | 51 Ų | 51 | 87 Ų | 87 | 27% | 0.267 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.8 | -37.9 | 174.4 | -70.8 | 175.3 | 0 | 0 | 0 | 112.3 | K192 R199 K200 | K192-L196 HydrophobicContact CG-CD1 3.87Å; K192-L196 HydrophobicContact CG-CG 4.5Å; K192-L196 VanDerWaalsContact O-CB 3.28Å; K192-L196 WeakPolarHBondContact O-CB 3.37Å; K192-L196 WeakPolarHBondContact O-CD1 3.43Å; K192-L196 WeakPolarHBondContact O-CG 3.08Å; K192-L196 PolarHBondContact O-N 3.35Å; L196-R199 PolarHBondContact O-N 3.19Å; L196-K200 WeakPolarHBondContact O-CB 3.48Å; L196-K200 PolarHBondContact O-N 2.77Å |
| 197 | C | 63.7 | Low | 69.9 | Low | 63 Ų | 63 | 96.8 Ų | 96.8 | 43% | 0.426 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.2 | -42.6 | 173.6 | -76.2 | 0 | 0 | 0 | 0 | 112.2 | F193 W194 R199 K200 S201 | F193-C197 WeakPolarHBondContact O-CB 3.43Å; F193-C197 PolarHBondContact O-N 3.48Å; F193-C197 VanDerWaalsContact O-N 3.07Å; F193-C197 PolarHBondContact O-SG 3.35Å; W194-C197 PolarHBondContact O-N 2.8Å; C197-R199 VanDerWaalsContact C-N 3.31Å; C197-R199 PolarHBondContact O-N 2.79Å; C197-K200 PolarHBondContact O-N 2.77Å; C197-S201 PolarHBondContact O-N 3.04Å |
| 198 | R | 65.3 | Low | 67.7 | Low | 172 Ų | 172 | 98.7 Ų | 98.7 | 65% | 0.649 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.3 | -43 | 176.8 | -169.7 | -175.6 | -62.9 | 180 | -0.9 | 111.7 | W194 T195 S201 A202 | W194-R198 PolarHBondContact O-N 3.02Å; T195-R198 PolarHBondContact O-N 3.26Å; R198-S201 PolarHBondContact O-N 3.43Å; R198-A202 PolarHBondContact O-N 3.3Å |
| 199 | R | 63.1 | Low | 65.9 | Low | 147 Ų | 147 | 102.6 Ų | 102.6 | 56% | 0.555 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.6 | -43 | 177 | -173.4 | 164.7 | 58.3 | 113.1 | -3.7 | 112.6 | T195 L196 C197 S201 A202 E203 | T195-R199 PolarHBondContact O-N 2.69Å; T195-R199 VanDerWaalsContact O-N 3.1Å; L196-R199 PolarHBondContact O-N 3.19Å; C197-R199 VanDerWaalsContact C-N 3.31Å; C197-R199 PolarHBondContact O-N 2.79Å; R199-S201 VanDerWaalsContact C-N 3.3Å; R199-S201 PolarHBondContact O-N 3.49Å; R199-A202 PolarHBondContact O-N 3.42Å; R199-A202 VanDerWaalsContact O-N 3.12Å; R199-E203 PolarHBondContact O-N 2.95Å; R199-E203 VanDerWaalsContact O-N 3.12Å |
| 200 | K | 59.2 | Low | 64.3 | Low | 98 Ų | 98 | 104.9 Ų | 104.9 | 43% | 0.426 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.1 | -24.8 | 175.3 | -79.4 | -170.9 | 174.3 | -172 | 0 | 114.2 | L196 C197 A202 N208 | L196-K200 WeakPolarHBondContact O-CB 3.48Å; L196-K200 PolarHBondContact O-N 2.77Å; C197-K200 PolarHBondContact O-N 2.77Å; K200-A202 VanDerWaalsContact C-N 3.32Å; K200-N208 PolarHBondContact NZ-O 3.11Å |
| 201 | S | 58.5 | Low | 63.2 | Low | 111 Ų | 111 | 107.9 Ų | 107.9 | 78% | 0.776 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -77.4 | -20.6 | 172.7 | -172 | 0 | 0 | 0 | 0 | 112.6 | C197 R198 R199 | C197-S201 PolarHBondContact O-N 3.04Å; R198-S201 PolarHBondContact O-N 3.43Å; R199-S201 VanDerWaalsContact C-N 3.3Å; R199-S201 PolarHBondContact O-N 3.49Å |
| 202 | A | 60 | Low | 62.3 | Low | 86 Ų | 86 | 109.6 Ų | 109.6 | 71% | 0.711 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -91.7 | -25.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R198 R199 K200 | R198-A202 PolarHBondContact O-N 3.3Å; R199-A202 PolarHBondContact O-N 3.42Å; R199-A202 VanDerWaalsContact O-N 3.12Å; K200-A202 VanDerWaalsContact C-N 3.32Å |
| 203 | E | 57.7 | Low | 61.8 | Low | 111 Ų | 111 | 106 Ų | 106 | 52% | 0.519 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -116.7 | 128.7 | 178.1 | -68.3 | 171.8 | 176 | 0 | 0 | 110 | R199 C205 | R199-E203 PolarHBondContact O-N 2.95Å; R199-E203 VanDerWaalsContact O-N 3.12Å; E203-C205 PolarHBondContact O-N 3.02Å |
| 204 | N | 53.8 | Low | 61.4 | Low | 189 Ų | 189 | 105.8 Ų | 105.8 | 100% | 1.011 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | 71.6 | 172 | -94.4 | -12.7 | 0 | 0 | 0 | 111 | ||
| 205 | C | 49.4 | Very low | 61.3 | Low | 70 Ų | 70 | 101.4 Ų | 101.4 | 47% | 0.473 | 54% | 0.535 | S | S | . | . | trans | -92.4 | 143.5 | -172.2 | -158.5 | 0 | 0 | 0 | 0 | 110.9 | E203 K207 | E203-C205 PolarHBondContact O-N 3.02Å; C205-K207 PolarHBondContact O-N 3.11Å | ||
| 206 | P | 47.2 | Very low | 61.5 | Low | 105 Ų | 105 | 104.5 Ų | 104.5 | 68% | 0.682 | 54% | 0.542 | S | S | * | . | trans | -59.2 | 137.8 | -177.6 | -18.1 | 30.3 | 0 | 0 | 0 | 111.3 | N208 | P206-N208 PolarHBondContact O-N 3.05Š| ||
| 207 | K | 56 | Low | 62.3 | Low | 205 Ų | 205 | 103.4 Ų | 103.4 | 89% | 0.891 | 54% | 0.536 | S | S | * | . | trans | -56.7 | 106.5 | 172.6 | -68.7 | 174.6 | 179.7 | 174.3 | 0 | 108.3 | C205 | C205-K207 PolarHBondContact O-N 3.11Š| ||
| 208 | N | 47.3 | Very low | 63.2 | Low | 115 Ų | 115 | 100.4 Ų | 100.4 | 62% | 0.615 | 52% | 0.516 | S | S | * | . | trans | -152.2 | 132.3 | 162.1 | -106.4 | 1 | 0 | 0 | 0 | 113.9 | K200 P206 | K200-N208 PolarHBondContact NZ-O 3.11Å; P206-N208 PolarHBondContact O-N 3.05Å | ||
| 209 | E | 52.5 | Low | 64.2 | Low | 170 Ų | 170 | 94.3 Ų | 94.3 | 79% | 0.794 | 50% | 0.496 | S | S | * | . | trans | 65.1 | 49.8 | 132 | -58.3 | -72.6 | 158.8 | 0 | 0 | 117.4 | ||||
| 210 | L | 54.1 | Low | 65.6 | Low | 64 Ų | 64 | 92.1 Ų | 92.1 | 34% | 0.335 | 49% | 0.491 | S | S | . | . | trans | -131.3 | 106.3 | 156.1 | -165.8 | 72.2 | 0 | 0 | 0 | 105.2 | F193 N212 K215 | F193-L210 HydrophobicContact CD1-CD2 3.4Å; F193-L210 HydrophobicContact CD1-CG 4.23Å; F193-L210 HydrophobicContact CE1-CD1 3.86Å; F193-L210 HydrophobicContact CE1-CD2 3.37Å; F193-L210 HydrophobicContact CE1-CG 3.69Å; L210-N212 PolarHBondContact O-N 2.95Å; L210-N212 PolarHBondContact O-OD1 3.43Å; L210-K215 HydrophobicContact CD2-CD 3.86Å; L210-K215 VanDerWaalsContact CD2-CE 3.43Å; L210-K215 HydrophobicContact CD2-CG 4.11Å; L210-K215 HydrophobicContact CG-CD 4.23Å; L210-K215 VanDerWaalsContact CG-CE 3.46Å; L210-K215 HydrophobicContact CG-CG 4.19Å; L210-K215 WeakPolarHBondContact O-CE 3.43Å; L210-K215 PolarHBondContact O-NZ 3.11Å | ||
| 211 | N | 63.3 | Low | 67.3 | Low | 91 Ų | 91 | 87.6 Ų | 87.6 | 49% | 0.487 | 47% | 0.471 | S | S | . | . | trans | -44.2 | 109.8 | -172.8 | -175.8 | -0.3 | 0 | 0 | 0 | 109.4 | S213 A214 K215 | N211-S213 PolarHBondContact O-N 2.74Å; N211-S213 VanDerWaalsContact O-N 3.15Å; N211-S213 VanDerWaalsContact OD1-CB 3.29Å; N211-S213 WeakPolarHBondContact OD1-CB 3.36Å; N211-S213 PolarHBondContact OD1-N 3.3Å; N211-A214 HydrophobicContact CB-CB 4.13Å; N211-A214 PolarHBondContact O-N 3.5Å; N211-A214 VanDerWaalsContact O-N 3.09Å; N211-K215 PolarHBondContact O-N 3.18Å | ||
| 212 | N | 68.9 | Low | 69 | Low | 124 Ų | 124 | 84.1 Ų | 84.1 | 66% | 0.663 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -61.7 | -25.6 | -174.5 | -75.5 | -25.5 | 0 | 0 | 0 | 111.1 | L210 K215 F216 | L210-N212 PolarHBondContact O-N 2.95Å; L210-N212 PolarHBondContact O-OD1 3.43Å; N212-K215 WeakPolarHBondContact OD1-CE 3.49Å; N212-K215 PolarHBondContact OD1-NZ 3.05Å; N212-F216 PolarHBondContact O-N 3.48Å |
| 213 | S | 72.1 | Confident | 70.7 | Confident | 46 Ų | 46 | 85.4 Ų | 85.4 | 32% | 0.322 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.3 | -58.1 | 170.4 | -170.1 | 0 | 0 | 0 | 0 | 111.3 | E36 N211 K215 F216 H217 | E36-S213 PolarHBondContact OE1-OG 3.45Å; N211-S213 PolarHBondContact O-N 2.74Å; N211-S213 VanDerWaalsContact O-N 3.15Å; N211-S213 VanDerWaalsContact OD1-CB 3.29Å; N211-S213 WeakPolarHBondContact OD1-CB 3.36Å; N211-S213 PolarHBondContact OD1-N 3.3Å; S213-K215 PolarHBondContact O-N 2.87Å; S213-F216 PolarHBondContact O-N 2.96Å; S213-H217 PolarHBondContact O-CD2 2.9Å; S213-H217 PolarHBondContact O-N 3.45Å; S213-H217 VanDerWaalsContact O-N 3.08Å |
| 214 | A | 71.6 | Confident | 72.5 | Confident | 5 Ų | 5 | 81 Ų | 81 | 4% | 0.041 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -55.4 | -39.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E36 N211 V218 | E36-A214 HydrophobicContact CB-CB 4.42Å; E36-A214 VanDerWaalsContact OE2-CA 3.25Å; E36-A214 WeakPolarHBondContact OE2-CA 3.33Å; E36-A214 VanDerWaalsContact OE2-CB 3.29Å; E36-A214 WeakPolarHBondContact OE2-CB 3.31Å; E36-A214 PolarHBondContact OE2-N 3.34Å; N211-A214 HydrophobicContact CB-CB 4.13Å; N211-A214 PolarHBondContact O-N 3.5Å; N211-A214 VanDerWaalsContact O-N 3.09Å; A214-V218 WeakPolarHBondContact O-CB 3.17Å; A214-V218 WeakPolarHBondContact O-CG2 3.18Å; A214-V218 PolarHBondContact O-N 2.88Å |
| 215 | K | 74.5 | Confident | 74.6 | Confident | 37 Ų | 37 | 72.3 Ų | 72.3 | 16% | 0.161 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62 | -48.1 | 176.1 | -60 | -172.8 | -140.7 | -177 | 0 | 112.7 | F193 L210 N211 N212 S213 H217 V218 L219 | F193-K215 HydrophobicContact CD1-CD 4.29Å; F193-K215 HydrophobicContact CD1-CG 3.79Å; F193-K215 HydrophobicContact CE1-CG 3.78Å; L210-K215 HydrophobicContact CD2-CD 3.86Å; L210-K215 VanDerWaalsContact CD2-CE 3.43Å; L210-K215 HydrophobicContact CD2-CG 4.11Å; L210-K215 HydrophobicContact CG-CD 4.23Å; L210-K215 VanDerWaalsContact CG-CE 3.46Å; L210-K215 HydrophobicContact CG-CG 4.19Å; L210-K215 WeakPolarHBondContact O-CE 3.43Å; L210-K215 PolarHBondContact O-NZ 3.11Å; N211-K215 PolarHBondContact O-N 3.18Å; N212-K215 WeakPolarHBondContact OD1-CE 3.49Å; N212-K215 PolarHBondContact OD1-NZ 3.05Å; S213-K215 PolarHBondContact O-N 2.87Å; K215-H217 VanDerWaalsContact C-N 3.33Å; K215-H217 PolarHBondContact O-N 2.88Å; K215-V218 PolarHBondContact O-N 3.26Å; K215-L219 WeakPolarHBondContact O-CB 3.27Å; K215-L219 VanDerWaalsContact O-CG 3.28Å; K215-L219 WeakPolarHBondContact O-CG 3.33Å; K215-L219 PolarHBondContact O-N 3.05Å |
| 216 | F | 83.3 | Confident | 76.9 | Confident | 134 Ų | 134 | 70.3 Ų | 70.3 | 59% | 0.588 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -61.4 | -46.4 | -178.4 | 178.2 | -97.9 | 0 | 0 | 0 | 110.5 | N212 S213 F220 | N212-F216 PolarHBondContact O-N 3.48Å; S213-F216 PolarHBondContact O-N 2.96Å; F216-F220 VanDerWaalsContact O-CB 3.32Å; F216-F220 WeakPolarHBondContact O-CB 3.4Å; F216-F220 PolarHBondContact O-N 3.49Å |
| 217 | H | 87.9 | Confident | 79.2 | Confident | 29 Ų | 29 | 70.3 Ų | 70.3 | 13% | 0.134 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.5 | -48.4 | 177.7 | -77 | -75.6 | 0 | 0 | 0 | 112.3 | W28 Y31 A32 E36 S213 K215 F220 L221 | W28-H217 AromaticContact CD1-CE1 3.95Å; W28-H217 AromaticContact CD1-ND1 3.91Å; W28-H217 AromaticContact CE2-ND1 3.88Å; W28-H217 AromaticContact NE1-CE1 3.4Å; W28-H217 PolarHBondContact NE1-CE1 3.34Å; W28-H217 AromaticContact NE1-ND1 3.06Å; W28-H217 PolarHBondContact NE1-ND1 3.07Å; Y31-H217 AromaticContact CE1-CE1 3.76Å; Y31-H217 AromaticContact CE1-NE2 3.86Å; A32-H217 HydrophobicContact CB-CB 4.05Å; E36-H217 HydrophobicContact CB-CB 4.12Å; E36-H217 HydrophobicContact CG-CB 3.93Å; E36-H217 IonicContact OE1-CD2 3.57Å; S213-H217 PolarHBondContact O-CD2 2.9Å; S213-H217 PolarHBondContact O-N 3.45Å; S213-H217 VanDerWaalsContact O-N 3.08Å; K215-H217 VanDerWaalsContact C-N 3.33Å; K215-H217 PolarHBondContact O-N 2.88Å; H217-F220 PolarHBondContact O-N 2.94Å; H217-L221 WeakPolarHBondContact O-CB 3.41Å; H217-L221 PolarHBondContact O-N 2.87Å |
| 218 | V | 82.6 | Confident | 81.2 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65 | -43.8 | -178 | 167.5 | 0 | 0 | 0 | 0 | 112.3 | L37 V186 F193 A214 K215 L221 F222 | L37-V218 HydrophobicContact CB-CG2 4.29Å; L37-V218 HydrophobicContact CD1-CG2 4.14Å; V186-V218 HydrophobicContact CG1-CG1 3.82Å; F193-V218 HydrophobicContact CD2-CB 4.36Å; F193-V218 HydrophobicContact CD2-CG1 3.78Å; F193-V218 HydrophobicContact CE2-CB 4.04Å; F193-V218 HydrophobicContact CE2-CG1 3.7Å; F193-V218 HydrophobicContact CE2-CG2 4.21Å; A214-V218 WeakPolarHBondContact O-CB 3.17Å; A214-V218 WeakPolarHBondContact O-CG2 3.18Å; A214-V218 PolarHBondContact O-N 2.88Å; K215-V218 PolarHBondContact O-N 3.26Å; V218-L221 PolarHBondContact O-N 3.28Å; V218-F222 PolarHBondContact O-N 3.39Å |
| 219 | L | 86.1 | Confident | 83.5 | Confident | 44 Ų | 44 | 57.9 Ų | 57.9 | 23% | 0.23 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.5 | -47.6 | 177.8 | -68.8 | 175 | 0 | 0 | 0 | 111.5 | F190 W194 K215 L221 F222 F223 | F190-L219 HydrophobicContact CD2-CD2 3.37Å; F190-L219 HydrophobicContact CE2-CD2 3.46Å; F190-L219 VanDerWaalsContact CE2-CD2 3.46Å; F190-L219 HydrophobicContact CG-CD2 4.19Å; F190-L219 HydrophobicContact CZ-CD2 4.34Å; W194-L219 HydrophobicContact CE3-CD2 4.41Å; K215-L219 WeakPolarHBondContact O-CB 3.27Å; K215-L219 VanDerWaalsContact O-CG 3.28Å; K215-L219 WeakPolarHBondContact O-CG 3.33Å; K215-L219 PolarHBondContact O-N 3.05Å; L219-L221 VanDerWaalsContact C-N 3.32Å; L219-L221 PolarHBondContact O-N 3.42Å; L219-F222 PolarHBondContact O-N 3.01Å; L219-F223 WeakPolarHBondContact O-CD2 3.47Å; L219-F223 PolarHBondContact O-N 2.73Å |
| 220 | F | 92.1 | Very high | 85.6 | Confident | 101 Ų | 101 | 55.8 Ų | 55.8 | 44% | 0.443 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.4 | -36.9 | -179.8 | -168.5 | -122.6 | 0 | 0 | 0 | 111.4 | W28 F216 H217 F222 F223 V224 | W28-F220 HydrophobicContact CH2-CB 4.2Å; W28-F220 AromaticContact CH2-CD1 3.26Å; W28-F220 HydrophobicContact CH2-CD1 3.26Å; W28-F220 AromaticContact CH2-CE1 3.9Å; W28-F220 HydrophobicContact CH2-CE1 3.9Å; W28-F220 HydrophobicContact CH2-CG 4.04Å; W28-F220 HydrophobicContact CZ2-CB 4.16Å; W28-F220 AromaticContact CZ2-CD1 3.35Å; W28-F220 HydrophobicContact CZ2-CD1 3.35Å; W28-F220 HydrophobicContact CZ2-CE1 4.17Å; W28-F220 HydrophobicContact CZ2-CG 4.19Å; W28-F220 HydrophobicContact CZ3-CD1 4.06Å; W28-F220 HydrophobicContact CZ3-CE1 4.26Å; F216-F220 VanDerWaalsContact O-CB 3.32Å; F216-F220 WeakPolarHBondContact O-CB 3.4Å; F216-F220 PolarHBondContact O-N 3.49Å; H217-F220 PolarHBondContact O-N 2.94Å; F220-F222 VanDerWaalsContact C-N 3.34Å; F220-F222 PolarHBondContact O-N 3.05Å; F220-F223 PolarHBondContact O-N 3.36Å; F220-V224 HydrophobicContact CD1-CG2 4.03Å; F220-V224 HydrophobicContact CD2-CG2 4.18Å; F220-V224 HydrophobicContact CE1-CG2 3.67Å; F220-V224 HydrophobicContact CE2-CG2 3.87Å; F220-V224 HydrophobicContact CG-CG2 4.24Å; F220-V224 HydrophobicContact CZ-CG2 3.58Å; F220-V224 WeakPolarHBondContact O-CB 3.21Å; F220-V224 VanDerWaalsContact O-CG2 3.3Å; F220-V224 WeakPolarHBondContact O-CG2 3.33Å; F220-V224 PolarHBondContact O-N 3.03Å |
| 221 | L | 94.2 | Very high | 87.7 | Confident | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.2 | -42.4 | 177.2 | -176.1 | 62.8 | 0 | 0 | 0 | 112.1 | W28 A32 Y33 I182 V186 H217 V218 L219 A225 | W28-L221 HydrophobicContact CH2-CB 4.02Å; W28-L221 HydrophobicContact CH2-CD1 4.11Å; W28-L221 HydrophobicContact CZ3-CD1 4.08Å; A32-L221 HydrophobicContact CB-CD1 4.48Å; A32-L221 HydrophobicContact CB-CD2 4.04Å; Y33-L221 HydrophobicContact CD2-CD2 4.01Å; I182-L221 HydrophobicContact CG2-CD1 3.93Å; I182-L221 HydrophobicContact CG2-CD2 3.99Å; I182-L221 HydrophobicContact CG2-CG 3.61Å; V186-L221 HydrophobicContact CG2-CD2 4.06Å; V186-L221 HydrophobicContact CG2-CG 4.47Å; H217-L221 WeakPolarHBondContact O-CB 3.41Å; H217-L221 PolarHBondContact O-N 2.87Å; V218-L221 PolarHBondContact O-N 3.28Å; L219-L221 VanDerWaalsContact C-N 3.32Å; L219-L221 PolarHBondContact O-N 3.42Å; L221-A225 WeakPolarHBondContact O-CB 3.1Å; L221-A225 PolarHBondContact O-N 2.89Å |
| 222 | F | 94.8 | Very high | 89.3 | Confident | 38 Ų | 38 | 52.9 Ų | 52.9 | 17% | 0.167 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60 | -50.3 | 175.3 | -179.2 | -102.4 | 0 | 0 | 0 | 112 | A183 V186 L187 F190 V218 L219 F220 A225 A226 | A183-F222 HydrophobicContact CB-CE2 4.38Å; V186-F222 HydrophobicContact CB-CD2 4.45Å; V186-F222 HydrophobicContact CG1-CB 3.8Å; V186-F222 HydrophobicContact CG1-CD2 4.35Å; L187-F222 HydrophobicContact CB-CE2 4.03Å; L187-F222 HydrophobicContact CD1-CE2 3.83Å; L187-F222 HydrophobicContact CD1-CZ 3.84Å; F190-F222 HydrophobicContact CB-CG 4.46Å; F190-F222 HydrophobicContact CD2-CB 3.86Å; F190-F222 AromaticContact CD2-CD1 3.76Å; F190-F222 HydrophobicContact CD2-CD1 3.76Å; F190-F222 AromaticContact CD2-CG 3.91Å; F190-F222 HydrophobicContact CD2-CG 3.91Å; F190-F222 HydrophobicContact CE2-CB 4.5Å; F190-F222 AromaticContact CE2-CD1 3.87Å; F190-F222 HydrophobicContact CE2-CD1 3.87Å; F190-F222 HydrophobicContact CE2-CG 4.45Å; F190-F222 HydrophobicContact CG-CB 4.5Å; F190-F222 HydrophobicContact CG-CD1 4.15Å; F190-F222 HydrophobicContact CG-CG 4.22Å; F190-F222 HydrophobicContact CZ-CD1 4.35Å; V218-F222 PolarHBondContact O-N 3.39Å; L219-F222 PolarHBondContact O-N 3.01Å; F220-F222 VanDerWaalsContact C-N 3.34Å; F220-F222 PolarHBondContact O-N 3.05Å; F222-A225 PolarHBondContact O-N 2.93Å; F222-A226 VanDerWaalsContact O-CB 3.29Å; F222-A226 WeakPolarHBondContact O-CB 3.29Å; F222-A226 PolarHBondContact O-N 2.92Å |
| 223 | F | 94.9 | Very high | 90.7 | Very high | 114 Ų | 114 | 51 Ų | 51 | 50% | 0.5 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.2 | -44.6 | -178.3 | -72.6 | -61.2 | 0 | 0 | 0 | 112.5 | F190 L219 F220 A226 M227 | F190-F223 HydrophobicContact CE2-CD2 4.47Å; F190-F223 AromaticContact CE2-CE2 3.76Å; F190-F223 HydrophobicContact CE2-CE2 3.76Å; F190-F223 AromaticContact CE2-CZ 3.8Å; F190-F223 HydrophobicContact CE2-CZ 3.8Å; F190-F223 HydrophobicContact CZ-CE1 4.48Å; F190-F223 HydrophobicContact CZ-CE2 4.22Å; F190-F223 AromaticContact CZ-CZ 3.8Å; F190-F223 HydrophobicContact CZ-CZ 3.8Å; L219-F223 WeakPolarHBondContact O-CD2 3.47Å; L219-F223 PolarHBondContact O-N 2.73Å; F220-F223 PolarHBondContact O-N 3.36Å; F223-A226 PolarHBondContact O-N 2.93Å; F223-M227 VanDerWaalsContact O-CB 3.31Å; F223-M227 WeakPolarHBondContact O-CB 3.25Å; F223-M227 PolarHBondContact O-N 3.48Å |
| 224 | V | 96.8 | Very high | 92 | Very high | 19 Ų | 19 | 52.5 Ų | 52.5 | 12% | 0.115 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.7 | -48.1 | 177.1 | 173.2 | 0 | 0 | 0 | 0 | 110.1 | V25 W28 F220 A226 M227 F228 | V25-V224 HydrophobicContact CG1-CG1 4.02Å; W28-V224 HydrophobicContact CH2-CG2 4.34Å; W28-V224 HydrophobicContact CZ3-CB 4.27Å; W28-V224 HydrophobicContact CZ3-CG1 4.28Å; W28-V224 HydrophobicContact CZ3-CG2 4.2Å; F220-V224 HydrophobicContact CD1-CG2 4.03Å; F220-V224 HydrophobicContact CD2-CG2 4.18Å; F220-V224 HydrophobicContact CE1-CG2 3.67Å; F220-V224 HydrophobicContact CE2-CG2 3.87Å; F220-V224 HydrophobicContact CG-CG2 4.24Å; F220-V224 HydrophobicContact CZ-CG2 3.58Å; F220-V224 WeakPolarHBondContact O-CB 3.21Å; F220-V224 VanDerWaalsContact O-CG2 3.3Å; F220-V224 WeakPolarHBondContact O-CG2 3.33Å; F220-V224 PolarHBondContact O-N 3.03Å; V224-A226 PolarHBondContact O-N 3.45Å; V224-M227 PolarHBondContact O-N 3.47Å; V224-F228 HydrophobicContact CG1-CD2 3.75Å; V224-F228 HydrophobicContact CG1-CE2 3.87Å; V224-F228 WeakPolarHBondContact O-CD2 3.27Å; V224-F228 PolarHBondContact O-N 3.25Å |
| 225 | A | 97.5 | Very high | 93.2 | Very high | 6 Ų | 6 | 55.3 Ų | 55.3 | 5% | 0.05 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.9 | -44.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I182 A183 L221 F222 C229 | I182-A225 HydrophobicContact CB-CB 4.05Å; I182-A225 HydrophobicContact CG2-CB 3.63Å; A183-A225 HydrophobicContact CB-CB 4.33Å; L221-A225 WeakPolarHBondContact O-CB 3.1Å; L221-A225 PolarHBondContact O-N 2.89Å; F222-A225 PolarHBondContact O-N 2.93Å; A225-C229 WeakPolarHBondContact O-CB 3.18Å; A225-C229 PolarHBondContact O-N 2.96Å |
| 226 | A | 96.5 | Very high | 94.4 | Very high | 27 Ų | 27 | 55.2 Ų | 55.2 | 22% | 0.223 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F222 F223 V224 C229 I230 | F222-A226 VanDerWaalsContact O-CB 3.29Å; F222-A226 WeakPolarHBondContact O-CB 3.29Å; F222-A226 PolarHBondContact O-N 2.92Å; F223-A226 PolarHBondContact O-N 2.93Å; V224-A226 PolarHBondContact O-N 3.45Å; A226-C229 WeakPolarHBondContact O-CB 3.17Å; A226-C229 PolarHBondContact O-N 2.88Å; A226-I230 WeakPolarHBondContact O-CG1 3.15Å; A226-I230 PolarHBondContact O-N 2.84Å; A226-I230 VanDerWaalsContact O-N 3.08Å |
| 227 | M | 96.9 | Very high | 95.1 | Very high | 105 Ų | 105 | 51.6 Ų | 51.6 | 52% | 0.517 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60 | -52.5 | 176.9 | 179.3 | -169.3 | 68.4 | 0 | 0 | 111.3 | F223 V224 C229 I230 S231 | F223-M227 VanDerWaalsContact O-CB 3.31Å; F223-M227 WeakPolarHBondContact O-CB 3.25Å; F223-M227 PolarHBondContact O-N 3.48Å; V224-M227 PolarHBondContact O-N 3.47Å; M227-C229 VanDerWaalsContact C-N 3.31Å; M227-C229 PolarHBondContact O-N 3.01Å; M227-I230 PolarHBondContact O-N 3.21Å; M227-S231 PolarHBondContact O-N 3.17Å; M227-S231 PolarHBondContact O-OG 3.09Å |
| 228 | F | 96.7 | Very high | 95.7 | Very high | 47 Ų | 47 | 53.9 Ų | 53.9 | 21% | 0.206 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.7 | -39 | 177.1 | -84.6 | -73.4 | 0 | 0 | 0 | 111.7 | I22 V25 V224 I230 S231 I232 | I22-F228 HydrophobicContact CD1-CE1 4.14Å; I22-F228 HydrophobicContact CD1-CZ 4.15Å; V25-F228 HydrophobicContact CG1-CE2 4.34Å; V224-F228 HydrophobicContact CG1-CD2 3.75Å; V224-F228 HydrophobicContact CG1-CE2 3.87Å; V224-F228 WeakPolarHBondContact O-CD2 3.27Å; V224-F228 PolarHBondContact O-N 3.25Å; F228-I230 PolarHBondContact O-N 3.15Å; F228-S231 PolarHBondContact O-N 2.94Å; F228-I232 VanDerWaalsContact O-CB 3.27Å; F228-I232 WeakPolarHBondContact O-CB 3.36Å; F228-I232 WeakPolarHBondContact O-CG1 3.49Å; F228-I232 PolarHBondContact O-N 3.36Å |
| 229 | C | 96.9 | Very high | 96.4 | Very high | 13 Ų | 13 | 54 Ų | 54 | 9% | 0.088 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -55.8 | -49.5 | 177.5 | -175.7 | 0 | 0 | 0 | 0 | 111.9 | C179 L180 A225 A226 M227 I232 L233 | C179-C229 HydrophobicContact CB-CB 3.87Å; L180-C229 WeakPolarHBondContact CD2-SG 3.19Å; L180-C229 VanDerWaalsContact CG-SG 3.59Å; A225-C229 WeakPolarHBondContact O-CB 3.18Å; A225-C229 PolarHBondContact O-N 2.96Å; A226-C229 WeakPolarHBondContact O-CB 3.17Å; A226-C229 PolarHBondContact O-N 2.88Å; M227-C229 VanDerWaalsContact C-N 3.31Å; M227-C229 PolarHBondContact O-N 3.01Å; C229-I232 PolarHBondContact O-N 2.81Å; C229-L233 WeakPolarHBondContact O-CB 3.43Å; C229-L233 PolarHBondContact O-N 3.25Å |
| 230 | I | 96.8 | Very high | 97 | Very high | 125 Ų | 125 | 55.6 Ų | 55.6 | 64% | 0.641 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -63.8 | -46.6 | -178.9 | -65.7 | 165.3 | 0 | 0 | 0 | 110.6 | A226 M227 F228 L233 S234 | A226-I230 WeakPolarHBondContact O-CG1 3.15Å; A226-I230 PolarHBondContact O-N 2.84Å; A226-I230 VanDerWaalsContact O-N 3.08Å; M227-I230 PolarHBondContact O-N 3.21Å; F228-I230 PolarHBondContact O-N 3.15Å; I230-L233 PolarHBondContact O-N 3.05Å; I230-S234 PolarHBondContact O-N 3.44Å |
| 231 | S | 96.5 | Very high | 97.3 | Very high | 71 Ų | 71 | 56.2 Ų | 56.2 | 50% | 0.497 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.2 | -40 | -180 | -58.6 | 0 | 0 | 0 | 0 | 113 | M227 F228 S234 L235 | M227-S231 PolarHBondContact O-N 3.17Å; M227-S231 PolarHBondContact O-OG 3.09Å; F228-S231 PolarHBondContact O-N 2.94Å; S231-S234 PolarHBondContact O-OG 3.26Å; S231-L235 PolarHBondContact O-N 2.87Å |
| 232 | I | 98.1 | Very high | 97.6 | Very high | 24 Ų | 24 | 56.1 Ų | 56.1 | 12% | 0.123 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -73.9 | -35.4 | 179.6 | -65.3 | -61.8 | 0 | 0 | 0 | 111.1 | L172 L176 F228 C229 S234 L235 F236 | L172-I232 HydrophobicContact CB-CG2 4.48Å; L172-I232 HydrophobicContact CD2-CD1 4.1Å; L172-I232 HydrophobicContact CD2-CG2 4.38Å; L172-I232 WeakPolarHBondContact O-CG2 3.34Å; L176-I232 HydrophobicContact CB-CG2 4.12Å; F228-I232 VanDerWaalsContact O-CB 3.27Å; F228-I232 WeakPolarHBondContact O-CB 3.36Å; F228-I232 WeakPolarHBondContact O-CG1 3.49Å; F228-I232 PolarHBondContact O-N 3.36Å; C229-I232 PolarHBondContact O-N 2.81Å; I232-S234 VanDerWaalsContact C-N 3.33Å; I232-S234 PolarHBondContact O-N 3.48Å; I232-L235 PolarHBondContact O-N 3.08Å; I232-F236 WeakPolarHBondContact O-CB 3.43Å; I232-F236 PolarHBondContact O-N 2.94Å |
| 233 | L | 98.4 | Very high | 97.8 | Very high | 83 Ų | 83 | 54.6 Ų | 54.6 | 44% | 0.435 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.3 | -43.5 | 177.7 | 177.7 | 62 | 0 | 0 | 0 | 112.1 | L176 C229 I230 S237 | L176-L233 HydrophobicContact CD1-CB 3.99Å; L176-L233 HydrophobicContact CD1-CD1 4.38Å; L176-L233 HydrophobicContact CD2-CD1 3.79Å; C229-L233 WeakPolarHBondContact O-CB 3.43Å; C229-L233 PolarHBondContact O-N 3.25Å; I230-L233 PolarHBondContact O-N 3.05Å; L233-S237 WeakPolarHBondContact O-CB 3.28Å; L233-S237 PolarHBondContact O-N 3.15Å; L233-S237 PolarHBondContact O-OG 2.95Å |
| 234 | S | 98.2 | Very high | 97.9 | Very high | 78 Ų | 78 | 49.4 Ų | 49.4 | 55% | 0.545 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.7 | -45.5 | 178.8 | 64.9 | 0 | 0 | 0 | 0 | 111.6 | I230 S231 I232 S237 Y238 | I230-S234 PolarHBondContact O-N 3.44Å; S231-S234 PolarHBondContact O-OG 3.26Å; I232-S234 VanDerWaalsContact C-N 3.33Å; I232-S234 PolarHBondContact O-N 3.48Å; S234-S237 PolarHBondContact O-N 3.4Å; S234-Y238 PolarHBondContact O-N 2.84Å |
| 235 | L | 98.4 | Very high | 98 | Very high | 64 Ų | 64 | 52.8 Ų | 52.8 | 34% | 0.335 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.7 | -44.3 | 177.8 | -176 | 61 | 0 | 0 | 0 | 111.7 | F168 L172 S231 I232 Y238 H239 | F168-L235 HydrophobicContact CZ-CD2 4.34Å; L172-L235 HydrophobicContact CD1-CD2 4.27Å; L172-L235 HydrophobicContact CD1-CG 3.98Å; L172-L235 HydrophobicContact CD2-CD2 3.81Å; L172-L235 HydrophobicContact CD2-CG 4.33Å; S231-L235 PolarHBondContact O-N 2.87Å; I232-L235 PolarHBondContact O-N 3.08Å; L235-Y238 PolarHBondContact O-N 3.49Å; L235-H239 PolarHBondContact O-CD2 3.5Å; L235-H239 VanDerWaalsContact O-CD2 3.27Å; L235-H239 PolarHBondContact O-N 2.9Å |
| 236 | F | 98.8 | Very high | 98 | Very high | 35 Ų | 35 | 52.7 Ų | 52.7 | 15% | 0.154 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.3 | -46.6 | 177.5 | -177.8 | -122.1 | 0 | 0 | 0 | 111.5 | I169 L172 A173 L176 I232 Y238 H239 L240 | I169-F236 HydrophobicContact CG2-CE2 3.95Å; L172-F236 HydrophobicContact CB-CB 4.19Å; L172-F236 HydrophobicContact CB-CD2 3.73Å; L172-F236 HydrophobicContact CB-CG 4.34Å; A173-F236 HydrophobicContact CB-CE2 3.73Å; A173-F236 HydrophobicContact CB-CZ 3.77Å; L176-F236 HydrophobicContact CD2-CD1 4.04Å; I232-F236 WeakPolarHBondContact O-CB 3.43Å; I232-F236 PolarHBondContact O-N 2.94Å; F236-Y238 VanDerWaalsContact C-N 3.33Å; F236-Y238 PolarHBondContact O-N 2.84Å; F236-H239 PolarHBondContact O-N 3.43Å; F236-L240 HydrophobicContact CD1-CD1 4.04Å; F236-L240 HydrophobicContact CD1-CG 4.46Å; F236-L240 HydrophobicContact CD2-CG 4.36Å; F236-L240 HydrophobicContact CE1-CD1 3.57Å; F236-L240 HydrophobicContact CE1-CG 4.16Å; F236-L240 HydrophobicContact CE2-CD1 4.34Å; F236-L240 HydrophobicContact CE2-CD2 3.95Å; F236-L240 HydrophobicContact CE2-CG 4.05Å; F236-L240 HydrophobicContact CZ-CD1 3.74Å; F236-L240 HydrophobicContact CZ-CD2 3.89Å; F236-L240 HydrophobicContact CZ-CG 3.95Å; F236-L240 WeakPolarHBondContact O-CG 3.29Å; F236-L240 PolarHBondContact O-N 3.36Å |
| 237 | S | 98.7 | Very high | 98.1 | Very high | 59 Ų | 59 | 52.7 Ų | 52.7 | 41% | 0.413 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60 | -43 | 177.4 | -58.4 | 0 | 0 | 0 | 0 | 112.1 | L233 S234 H239 L240 W241 | L233-S237 WeakPolarHBondContact O-CB 3.28Å; L233-S237 PolarHBondContact O-N 3.15Å; L233-S237 PolarHBondContact O-OG 2.95Å; S234-S237 PolarHBondContact O-N 3.4Å; S237-H239 PolarHBondContact O-N 3.32Å; S237-L240 PolarHBondContact O-N 3.41Å; S237-W241 PolarHBondContact O-N 3.42Å; S237-W241 VanDerWaalsContact O-N 3.12Å |
| 238 | Y | 98.8 | Very high | 98.2 | Very high | 76 Ų | 76 | 47.8 Ų | 47.8 | 30% | 0.298 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.6 | -46.3 | 175.2 | 175.5 | -114.1 | 0 | 0 | 0 | 111.9 | S234 L235 F236 W241 L242 T249 | S234-Y238 PolarHBondContact O-N 2.84Å; L235-Y238 PolarHBondContact O-N 3.49Å; F236-Y238 VanDerWaalsContact C-N 3.33Å; F236-Y238 PolarHBondContact O-N 2.84Å; Y238-W241 HydrophobicContact CD2-CE3 4.24Å; Y238-W241 HydrophobicContact CE2-CE3 4.04Å; Y238-W241 AromaticContact CE2-CZ3 3.97Å; Y238-W241 HydrophobicContact CE2-CZ3 3.97Å; Y238-W241 WeakPolarHBondContact O-CB 3.17Å; Y238-W241 PolarHBondContact O-N 3.5Å; Y238-L242 HydrophobicContact CD1-CD1 3.98Å; Y238-L242 HydrophobicContact CE1-CD1 3.45Å; Y238-L242 VanDerWaalsContact CE1-CD1 3.45Å; Y238-L242 HydrophobicContact CE1-CG 4.13Å; Y238-L242 HydrophobicContact CE2-CD1 4.49Å; Y238-L242 HydrophobicContact CE2-CD2 4.39Å; Y238-L242 HydrophobicContact CE2-CG 4.33Å; Y238-L242 WeakPolarHBondContact O-CG 3.38Å; Y238-L242 PolarHBondContact O-N 3.12Å; Y238-T249 HydrophobicContact CE1-CG2 4.26Å |
| 239 | H | 98.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 46.7 Ų | 46.7 | 1% | 0.014 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -70.5 | -31.5 | 179.4 | -82.3 | -76.8 | 0 | 0 | 0 | 113.7 | D150 Y165 F168 I169 L235 F236 S237 W241 L242 V243 | D150-H239 IonicContact OD1-CE1 3.36Å; D150-H239 PolarHBondContact OD1-CE1 3.41Å; Y165-H239 AromaticContact CE2-ND1 3.75Å; Y165-H239 AromaticContact CZ-ND1 3.85Å; Y165-H239 PolarHBondContact OH-ND1 3.45Å; Y165-H239 VanDerWaalsContact OH-ND1 3.09Å; F168-H239 AromaticContact CE1-CD2 3.79Å; F168-H239 AromaticContact CE1-CE1 3.82Å; F168-H239 AromaticContact CE1-NE2 3.59Å; I169-H239 HydrophobicContact CD1-CB 3.54Å; L235-H239 PolarHBondContact O-CD2 3.5Å; L235-H239 VanDerWaalsContact O-CD2 3.27Å; L235-H239 PolarHBondContact O-N 2.9Å; F236-H239 PolarHBondContact O-N 3.43Å; S237-H239 PolarHBondContact O-N 3.32Å; H239-W241 VanDerWaalsContact C-N 3.31Å; H239-W241 PolarHBondContact O-N 2.77Å; H239-L242 WeakPolarHBondContact O-CB 3.31Å; H239-L242 PolarHBondContact O-N 3Å; H239-V243 VanDerWaalsContact O-CG2 3.29Å; H239-V243 WeakPolarHBondContact O-CG2 3.32Å; H239-V243 PolarHBondContact O-N 3.27Å |
| 240 | L | 98.8 | Very high | 98.4 | Very high | 77 Ų | 77 | 48.3 Ų | 48.3 | 40% | 0.403 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62 | -41 | 171.1 | -72.7 | -176.3 | 0 | 0 | 0 | 111.4 | F236 S237 V243 G244 | F236-L240 HydrophobicContact CD1-CD1 4.04Å; F236-L240 HydrophobicContact CD1-CG 4.46Å; F236-L240 HydrophobicContact CD2-CG 4.36Å; F236-L240 HydrophobicContact CE1-CD1 3.57Å; F236-L240 HydrophobicContact CE1-CG 4.16Å; F236-L240 HydrophobicContact CE2-CD1 4.34Å; F236-L240 HydrophobicContact CE2-CD2 3.95Å; F236-L240 HydrophobicContact CE2-CG 4.05Å; F236-L240 HydrophobicContact CZ-CD1 3.74Å; F236-L240 HydrophobicContact CZ-CD2 3.89Å; F236-L240 HydrophobicContact CZ-CG 3.95Å; F236-L240 WeakPolarHBondContact O-CG 3.29Å; F236-L240 PolarHBondContact O-N 3.36Å; S237-L240 PolarHBondContact O-N 3.41Å; L240-V243 PolarHBondContact O-N 2.93Å; L240-G244 PolarHBondContact O-N 3.03Å |
| 241 | W | 98.8 | Very high | 98.4 | Very high | 115 Ų | 115 | 42.7 Ų | 42.7 | 44% | 0.436 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.3 | -43.4 | 172.7 | 172.8 | 84.9 | 0 | 0 | 0 | 112.1 | S237 Y238 H239 G244 K245 A252 | S237-W241 PolarHBondContact O-N 3.42Å; S237-W241 VanDerWaalsContact O-N 3.12Å; Y238-W241 HydrophobicContact CD2-CE3 4.24Å; Y238-W241 HydrophobicContact CE2-CE3 4.04Å; Y238-W241 AromaticContact CE2-CZ3 3.97Å; Y238-W241 HydrophobicContact CE2-CZ3 3.97Å; Y238-W241 WeakPolarHBondContact O-CB 3.17Å; Y238-W241 PolarHBondContact O-N 3.5Å; H239-W241 VanDerWaalsContact C-N 3.31Å; H239-W241 PolarHBondContact O-N 2.77Å; W241-G244 PolarHBondContact O-N 3.05Å; W241-K245 HydrophobicContact CZ2-CG 4.44Å; W241-K245 PolarHBondContact O-N 3.47Å; W241-A252 HydrophobicContact CZ3-CB 4.21Å |
| 242 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.4 | -45.9 | 175.6 | -72.4 | -179.3 | 0 | 0 | 0 | 112.6 | Y238 H239 G244 K245 N246 R247 A252 | Y238-L242 HydrophobicContact CD1-CD1 3.98Å; Y238-L242 HydrophobicContact CE1-CD1 3.45Å; Y238-L242 VanDerWaalsContact CE1-CD1 3.45Å; Y238-L242 HydrophobicContact CE1-CG 4.13Å; Y238-L242 HydrophobicContact CE2-CD1 4.49Å; Y238-L242 HydrophobicContact CE2-CD2 4.39Å; Y238-L242 HydrophobicContact CE2-CG 4.33Å; Y238-L242 WeakPolarHBondContact O-CG 3.38Å; Y238-L242 PolarHBondContact O-N 3.12Å; H239-L242 WeakPolarHBondContact O-CB 3.31Å; H239-L242 PolarHBondContact O-N 3Å; L242-G244 VanDerWaalsContact C-N 3.34Å; L242-G244 PolarHBondContact O-N 3.37Å; L242-K245 CarbonylContact O-C 3.59Å; L242-K245 PolarHBondContact O-N 3.33Å; L242-N246 PolarHBondContact O-N 3.48Å; L242-R247 WeakPolarHBondContact CB-O 3.48Å; L242-R247 HydrophobicContact CD2-CB 3.95Å; L242-R247 PolarHBondContact O-N 2.94Å; L242-A252 HydrophobicContact CD2-CB 3.65Å |
| 243 | V | 98.8 | Very high | 98.5 | Very high | 5 Ų | 5 | 46.3 Ų | 46.3 | 3% | 0.03 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.8 | -48.9 | 174.3 | 171.4 | 0 | 0 | 0 | 0 | 109.6 | Y165 I169 H239 L240 K245 N246 N274 I275 V278 F279 | Y165-V243 HydrophobicContact CE1-CG2 3.73Å; I169-V243 HydrophobicContact CD1-CG2 4.2Å; I169-V243 HydrophobicContact CG1-CG2 4.29Å; H239-V243 VanDerWaalsContact O-CG2 3.29Å; H239-V243 WeakPolarHBondContact O-CG2 3.32Å; H239-V243 PolarHBondContact O-N 3.27Å; L240-V243 PolarHBondContact O-N 2.93Å; V243-K245 PolarHBondContact O-N 3.5Å; V243-N246 PolarHBondContact O-N 3.36Å; V243-N274 WeakPolarHBondContact O-CB 3.43Å; V243-I275 HydrophobicContact CG1-CG1 3.95Å; V243-V278 HydrophobicContact CG1-CG2 4.29Å; V243-V278 HydrophobicContact CG2-CG2 4.48Å; V243-F279 HydrophobicContact CG1-CE2 4.41Å |
| 244 | G | 98.4 | Very high | 98.3 | Very high | 6 Ų | 6 | 52.2 Ų | 52.2 | 6% | 0.062 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61 | -28.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L240 W241 L242 N274 | L240-G244 PolarHBondContact O-N 3.03Å; W241-G244 PolarHBondContact O-N 3.05Å; L242-G244 VanDerWaalsContact C-N 3.34Å; L242-G244 PolarHBondContact O-N 3.37Å; G244-N274 PolarHBondContact O-ND2 3.01Å |
| 245 | K | 98.1 | Very high | 98.2 | Very high | 89 Ų | 89 | 49.9 Ų | 49.9 | 39% | 0.387 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -96.7 | -1.2 | 175.9 | -63.9 | -63.4 | -176.4 | -177.5 | 0 | 114.1 | W241 L242 V243 R247 | W241-K245 HydrophobicContact CZ2-CG 4.44Å; W241-K245 PolarHBondContact O-N 3.47Å; L242-K245 CarbonylContact O-C 3.59Å; L242-K245 PolarHBondContact O-N 3.33Å; V243-K245 PolarHBondContact O-N 3.5Å; K245-R247 VanDerWaalsContact C-N 3.3Å; K245-R247 HydrophobicContact CB-CG 4.03Å; K245-R247 PolarHBondContact O-N 2.95Å |
| 246 | N | 98.4 | Very high | 98.1 | Very high | 5 Ų | 5 | 47.8 Ų | 47.8 | 3% | 0.027 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 46.3 | -171.1 | -162.2 | -2.6 | 0 | 0 | 0 | 113.4 | R135 L242 V243 F267 N274 | R135-N246 PolarHBondContact NH1-OD1 3.38Å; R135-N246 PolarHBondContact NH2-O 2.97Å; R135-N246 PolarHBondContact NH2-OD1 3.2Å; L242-N246 PolarHBondContact O-N 3.48Å; V243-N246 PolarHBondContact O-N 3.36Å; N246-F267 PolarHBondContact ND2-O 2.84Å; N246-N274 HydrophobicContact CB-CB 3.95Å; N246-N274 WeakPolarHBondContact CB-OD1 3.19Å |
| 247 | R | 98.6 | Very high | 98 | Very high | 27 Ų | 27 | 47.5 Ų | 47.5 | 10% | 0.102 | 23% | 0.225 | C | C | . | . | trans | -112.4 | 144.1 | 177.3 | -64.4 | 175.8 | -170.7 | 167.5 | -0.5 | 110.1 | L242 K245 E251 K264 N265 | L242-R247 WeakPolarHBondContact CB-O 3.48Å; L242-R247 HydrophobicContact CD2-CB 3.95Å; L242-R247 PolarHBondContact O-N 2.94Å; K245-R247 VanDerWaalsContact C-N 3.3Å; K245-R247 HydrophobicContact CB-CG 4.03Å; K245-R247 PolarHBondContact O-N 2.95Å; R247-E251 WeakPolarHBondContact CA-OE2 3.09Å; R247-E251 HydrophobicContact CB-CB 4.36Å; R247-K264 PolarHBondContact NE-O 3.46Å; R247-N265 PolarHBondContact NH2-OD1 2.92Å | ||
| 248 | S | 98.7 | Very high | 97.8 | Very high | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.014 | 21% | 0.208 | C | C | . | . | trans | -79.4 | 164.1 | 158.1 | 76.6 | 0 | 0 | 0 | 0 | 110.4 | D150 I250 E251 A252 | D150-S248 VanDerWaalsContact OD2-CA 3.25Å; D150-S248 WeakPolarHBondContact OD2-CA 3.39Å; S248-I250 VanDerWaalsContact C-N 3.26Å; S248-I250 PolarHBondContact O-N 3.08Å; S248-I250 PolarHBondContact OG-N 3.2Å; S248-E251 PolarHBondContact N-OE2 3.43Å; S248-E251 PolarHBondContact O-N 3.49Å; S248-E251 VanDerWaalsContact O-N 3.12Å; S248-E251 WeakPolarHBondContact OG-CG 3.26Å; S248-E251 PolarHBondContact OG-N 3.46Å; S248-A252 PolarHBondContact O-N 3.35Å | ||
| 249 | T | 98.7 | Very high | 97.3 | Very high | 24 Ų | 24 | 50.4 Ų | 50.4 | 15% | 0.147 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -54.8 | -44.5 | 172.2 | -58.7 | 0 | 0 | 0 | 0 | 110.7 | D150 Y238 E251 A252 F253 | D150-T249 VanDerWaalsContact CG-OG1 3.29Å; D150-T249 WeakPolarHBondContact OD1-CB 3.39Å; D150-T249 PolarHBondContact OD1-OG1 2.87Å; D150-T249 PolarHBondContact OD2-N 3.28Å; D150-T249 PolarHBondContact OD2-OG1 3.42Å; Y238-T249 HydrophobicContact CE1-CG2 4.26Å; T249-E251 VanDerWaalsContact C-N 3.33Å; T249-E251 PolarHBondContact O-N 3.48Å; T249-A252 WeakPolarHBondContact O-CB 3.36Å; T249-A252 PolarHBondContact O-N 2.96Å; T249-F253 HydrophobicContact CG2-CD2 4.08Å; T249-F253 HydrophobicContact CG2-CE2 3.81Å; T249-F253 WeakPolarHBondContact O-CD2 3.46Å; T249-F253 PolarHBondContact O-N 3.46Å |
| 250 | I | 98.4 | Very high | 96.8 | Very high | 46 Ų | 46 | 55.8 Ų | 55.8 | 24% | 0.236 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.7 | -45.9 | 176 | -64 | 171.5 | 0 | 0 | 0 | 111.1 | H137 M149 D150 S248 A252 F253 R254 | H137-I250 HydrophobicContact CB-CD1 4.08Å; M149-I250 HydrophobicContact CB-CD1 4.32Å; M149-I250 HydrophobicContact CG-CD1 4.09Å; M149-I250 HydrophobicContact SD-CD1 4.31Å; D150-I250 WeakPolarHBondContact O-CG1 3.42Å; S248-I250 VanDerWaalsContact C-N 3.26Å; S248-I250 PolarHBondContact O-N 3.08Å; S248-I250 PolarHBondContact OG-N 3.2Å; I250-A252 VanDerWaalsContact C-N 3.31Å; I250-A252 PolarHBondContact O-N 3.41Å; I250-F253 PolarHBondContact O-N 3.38Å; I250-R254 PolarHBondContact O-N 3.38Å |
| 251 | E | 98.3 | Very high | 96.5 | Very high | 7 Ų | 7 | 53.5 Ų | 53.5 | 3% | 0.033 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.9 | -28.9 | -179.2 | -69.8 | 162 | -176.7 | 0 | 0 | 112.9 | R135 R247 S248 T249 R254 P256 | R135-E251 WeakPolarHBondContact CB-OE1 3.41Å; R135-E251 WeakPolarHBondContact CG-OE1 3.41Å; R135-E251 IonicContact CZ-OE1 2.7Å; R135-E251 IonicContact CZ-OE2 3.68Å; R135-E251 IonicContact NE-OE1 3.39Å; R135-E251 PolarHBondContact NE-OE1 2.84Å; R135-E251 IonicContact NE-OE2 3.5Å; R135-E251 PolarHBondContact NE-OE2 3.35Å; R135-E251 IonicContact NH2-OE1 3.37Å; R135-E251 IonicContact NH2-OE2 3.65Å; R135-E251 PolarHBondContact NH2-OE2 3.43Å; R247-E251 WeakPolarHBondContact CA-OE2 3.09Å; R247-E251 HydrophobicContact CB-CB 4.36Å; S248-E251 PolarHBondContact N-OE2 3.43Å; S248-E251 PolarHBondContact O-N 3.49Å; S248-E251 VanDerWaalsContact O-N 3.12Å; S248-E251 WeakPolarHBondContact OG-CG 3.26Å; S248-E251 PolarHBondContact OG-N 3.46Å; T249-E251 VanDerWaalsContact C-N 3.33Å; T249-E251 PolarHBondContact O-N 3.48Å; E251-R254 CarbonylContact C-O 3.52Å; E251-R254 VanDerWaalsContact CA-O 3.3Å; E251-R254 WeakPolarHBondContact CA-O 3.45Å; E251-R254 CarbonylContact O-C 3.52Å; E251-P256 HydrophobicContact CG-CG 4.39Å |
| 252 | A | 97.7 | Very high | 96.3 | Very high | 12 Ų | 12 | 52.3 Ų | 52.3 | 10% | 0.099 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.1 | -40.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | W241 L242 S248 T249 I250 K264 | W241-A252 HydrophobicContact CZ3-CB 4.21Å; L242-A252 HydrophobicContact CD2-CB 3.65Å; S248-A252 PolarHBondContact O-N 3.35Å; T249-A252 WeakPolarHBondContact O-CB 3.36Å; T249-A252 PolarHBondContact O-N 2.96Å; I250-A252 VanDerWaalsContact C-N 3.31Å; I250-A252 PolarHBondContact O-N 3.41Å; A252-K264 PolarHBondContact O-NZ 2.99Å |
| 253 | F | 97.3 | Very high | 96.1 | Very high | 160 Ų | 160 | 53.5 Ų | 53.5 | 70% | 0.702 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -77.7 | -39.6 | 175.5 | -74.5 | -73.7 | 0 | 0 | 0 | 113 | T249 I250 | T249-F253 HydrophobicContact CG2-CD2 4.08Å; T249-F253 HydrophobicContact CG2-CE2 3.81Å; T249-F253 WeakPolarHBondContact O-CD2 3.46Å; T249-F253 PolarHBondContact O-N 3.46Å; I250-F253 PolarHBondContact O-N 3.38Å |
| 254 | R | 95.8 | Very high | 96 | Very high | 207 Ų | 207 | 57.9 Ų | 57.9 | 78% | 0.781 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -131.8 | 108.4 | -179.4 | -68.5 | -175.1 | -179.4 | 169.7 | 0.5 | 110.1 | I250 E251 | I250-R254 PolarHBondContact O-N 3.38Å; E251-R254 CarbonylContact C-O 3.52Å; E251-R254 VanDerWaalsContact CA-O 3.3Å; E251-R254 WeakPolarHBondContact CA-O 3.45Å; E251-R254 CarbonylContact O-C 3.52Å |
| 255 | A | 96.3 | Very high | 95.9 | Very high | 28 Ų | 28 | 60.2 Ų | 60.2 | 23% | 0.231 | 30% | 0.3 | C | S | . | . | trans | -56.1 | 134.1 | 179 | 0 | 0 | 0 | 0 | 0 | 110.6 | K264 | A255-K264 HydrophobicContact CB-CG 3.55Š| ||
| 256 | P | 96.3 | Very high | 95.7 | Very high | 21 Ų | 21 | 56 Ų | 56 | 14% | 0.136 | 28% | 0.282 | C | S | . | . | trans | -63.4 | 140.2 | 170.4 | 23.1 | -28 | 0 | 0 | 0 | 110.1 | T115 E251 F258 D263 F267 | T115-P256 HydrophobicContact CG2-CB 4.11Å; E251-P256 HydrophobicContact CG-CG 4.39Å; P256-F258 HydrophobicContact CB-CE2 4.03Å; P256-F258 HydrophobicContact CB-CZ 4.46Å; P256-F258 HydrophobicContact CG-CE2 3.8Å; P256-F258 HydrophobicContact CG-CZ 4.29Å; P256-D263 PolarHBondContact O-N 3.16Å; P256-F267 HydrophobicContact CB-CE2 4.16Å; P256-F267 HydrophobicContact CG-CD2 4.26Å; P256-F267 HydrophobicContact CG-CE2 3.97Å | ||
| 257 | V | 96 | Very high | 95.7 | Very high | 28 Ų | 28 | 56 Ų | 56 | 17% | 0.17 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 114.3 | 179.6 | -175.8 | 0 | 0 | 0 | 0 | 108.4 | T115 R116 | T115-V257 CarbonylContact C-O 3.36Å; T115-V257 WeakPolarHBondContact CA-O 3.34Å; R116-V257 PolarHBondContact N-O 3.29Å |
| 258 | F | 94.8 | Very high | 95.6 | Very high | 15 Ų | 15 | 55.8 Ų | 55.8 | 7% | 0.066 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 177.9 | 172.3 | -64.6 | -93 | 0 | 0 | 0 | 110.2 | T115 P256 T260 G261 D263 F267 T302 | T115-F258 HydrophobicContact CG2-CD1 4.26Å; T115-F258 HydrophobicContact CG2-CE1 3.95Å; T115-F258 HydrophobicContact CG2-CZ 4.16Å; P256-F258 HydrophobicContact CB-CE2 4.03Å; P256-F258 HydrophobicContact CB-CZ 4.46Å; P256-F258 HydrophobicContact CG-CE2 3.8Å; P256-F258 HydrophobicContact CG-CZ 4.29Å; F258-T260 PolarHBondContact O-N 3.42Å; F258-G261 PolarHBondContact N-O 3.5Å; F258-G261 PolarHBondContact O-N 3.46Å; F258-D263 HydrophobicContact CD2-CB 3.9Å; F258-D263 HydrophobicContact CE2-CB 4.14Å; F258-F267 HydrophobicContact CE1-CE1 4.15Å; F258-F267 HydrophobicContact CE1-CE2 4.35Å; F258-F267 AromaticContact CE1-CZ 3.94Å; F258-F267 HydrophobicContact CE1-CZ 3.94Å; F258-F267 HydrophobicContact CZ-CD1 4.45Å; F258-F267 HydrophobicContact CZ-CD2 4.02Å; F258-F267 HydrophobicContact CZ-CE1 4.13Å; F258-F267 AromaticContact CZ-CE2 3.66Å; F258-F267 HydrophobicContact CZ-CE2 3.66Å; F258-F267 HydrophobicContact CZ-CG 4.39Å; F258-F267 AromaticContact CZ-CZ 3.72Å; F258-F267 HydrophobicContact CZ-CZ 3.72Å; F258-T302 HydrophobicContact CE1-CG2 4.06Å |
| 259 | R | 87.3 | Confident | 95.5 | Very high | 182 Ų | 182 | 58 Ų | 58 | 69% | 0.687 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -36 | 173.5 | -71 | -175.1 | 174.7 | -172.3 | -1.9 | 112.9 | G261 | R259-G261 PolarHBondContact O-N 3.3Š|
| 260 | T | 88.6 | Confident | 95.4 | Very high | 115 Ų | 115 | 58.7 Ų | 58.7 | 71% | 0.706 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -0 | 178.2 | 53.4 | 0 | 0 | 0 | 0 | 113.6 | F258 | F258-T260 PolarHBondContact O-N 3.42Š|
| 261 | G | 92.2 | Very high | 95.3 | Very high | 29 Ų | 29 | 63 Ų | 63 | 30% | 0.299 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 110.2 | -168.7 | -177 | 0 | 0 | 0 | 0 | 0 | 113.6 | F258 R259 D263 | F258-G261 PolarHBondContact N-O 3.5Å; F258-G261 PolarHBondContact O-N 3.46Å; R259-G261 PolarHBondContact O-N 3.3Å; G261-D263 PolarHBondContact O-N 2.76Å |
| 262 | S | 94.9 | Very high | 95.3 | Very high | 91 Ų | 91 | 71.9 Ų | 71.9 | 64% | 0.636 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 121.5 | -178.1 | -62.8 | 0 | 0 | 0 | 0 | 111.7 | ||
| 263 | D | 95.3 | Very high | 95.3 | Very high | 24 Ų | 24 | 78 Ų | 78 | 13% | 0.128 | 38% | 0.383 | C | S | . | . | trans | -134.9 | 110 | 177.2 | -173 | -1.2 | 0 | 0 | 0 | 111.6 | P256 F258 G261 N265 G266 R303 | P256-D263 PolarHBondContact O-N 3.16Å; F258-D263 HydrophobicContact CD2-CB 3.9Å; F258-D263 HydrophobicContact CE2-CB 4.14Å; G261-D263 PolarHBondContact O-N 2.76Å; D263-N265 PolarHBondContact O-N 2.93Å; D263-N265 WeakPolarHBondContact OD1-CA 3.34Å; D263-N265 WeakPolarHBondContact OD1-CB 3.24Å; D263-N265 PolarHBondContact OD1-N 3.39Å; D263-G266 PolarHBondContact O-N 3.42Å; D263-G266 PolarHBondContact OD1-N 2.93Å; D263-G266 PolarHBondContact OD2-N 2.95Å; D263-R303 IonicContact OD1-NH2 3.84Å; D263-R303 IonicContact OD2-CZ 2.92Å; D263-R303 IonicContact OD2-NE 3.76Å; D263-R303 IonicContact OD2-NH2 2.77Å; D263-R303 PolarHBondContact OD2-NH2 3.49Å | ||
| 264 | K | 95.6 | Very high | 95.3 | Very high | 97 Ų | 97 | 70.5 Ų | 70.5 | 42% | 0.422 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -19.5 | 175.1 | -69.7 | -162.9 | 179.6 | -161.8 | 0 | 113.2 | R247 A252 A255 | R247-K264 PolarHBondContact NE-O 3.46Å; A252-K264 PolarHBondContact O-NZ 2.99Å; A255-K264 HydrophobicContact CB-CG 3.55Å |
| 265 | N | 96.1 | Very high | 95.4 | Very high | 56 Ų | 56 | 62.2 Ų | 62.2 | 30% | 0.299 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 8 | -179.4 | -62.5 | -48.4 | 0 | 0 | 0 | 112.7 | R247 D263 F267 S268 | R247-N265 PolarHBondContact NH2-OD1 2.92Å; D263-N265 PolarHBondContact O-N 2.93Å; D263-N265 WeakPolarHBondContact OD1-CA 3.34Å; D263-N265 WeakPolarHBondContact OD1-CB 3.24Å; D263-N265 PolarHBondContact OD1-N 3.39Å; N265-F267 PolarHBondContact O-N 2.69Å; N265-F267 VanDerWaalsContact O-N 3.09Å; N265-S268 WeakPolarHBondContact O-CB 3.27Å; N265-S268 PolarHBondContact O-N 3.27Å |
| 266 | G | 95.7 | Very high | 95.5 | Very high | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -23.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | D263 T302 R303 | D263-G266 PolarHBondContact O-N 3.42Å; D263-G266 PolarHBondContact OD1-N 2.93Å; D263-G266 PolarHBondContact OD2-N 2.95Å; G266-T302 CarbonylContact O-C 3.6Å; G266-T302 VanDerWaalsContact O-CA 3.25Å; G266-T302 WeakPolarHBondContact O-CA 3.28Å; G266-T302 WeakPolarHBondContact O-CB 3.32Å; G266-R303 PolarHBondContact O-N 2.84Å |
| 267 | F | 97.1 | Very high | 95.6 | Very high | 5 Ų | 5 | 61.4 Ų | 61.4 | 2% | 0.022 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 2.7 | 173.1 | -61.5 | -67.2 | 0 | 0 | 0 | 114.2 | T115 D134 R135 N246 P256 F258 N265 F300 T302 | T115-F267 HydrophobicContact CG2-CE2 4.18Å; T115-F267 HydrophobicContact CG2-CZ 3.71Å; D134-F267 HydrophobicContact CB-CE1 4.49Å; D134-F267 HydrophobicContact CB-CZ 4.11Å; R135-F267 HydrophobicContact CG-CD2 4.12Å; R135-F267 HydrophobicContact CG-CE1 4.29Å; R135-F267 HydrophobicContact CG-CE2 3.59Å; R135-F267 HydrophobicContact CG-CZ 3.69Å; N246-F267 PolarHBondContact ND2-O 2.84Å; P256-F267 HydrophobicContact CB-CE2 4.16Å; P256-F267 HydrophobicContact CG-CD2 4.26Å; P256-F267 HydrophobicContact CG-CE2 3.97Å; F258-F267 HydrophobicContact CE1-CE1 4.15Å; F258-F267 HydrophobicContact CE1-CE2 4.35Å; F258-F267 AromaticContact CE1-CZ 3.94Å; F258-F267 HydrophobicContact CE1-CZ 3.94Å; F258-F267 HydrophobicContact CZ-CD1 4.45Å; F258-F267 HydrophobicContact CZ-CD2 4.02Å; F258-F267 HydrophobicContact CZ-CE1 4.13Å; F258-F267 AromaticContact CZ-CE2 3.66Å; F258-F267 HydrophobicContact CZ-CE2 3.66Å; F258-F267 HydrophobicContact CZ-CG 4.39Å; F258-F267 AromaticContact CZ-CZ 3.72Å; F258-F267 HydrophobicContact CZ-CZ 3.72Å; N265-F267 PolarHBondContact O-N 2.69Å; N265-F267 VanDerWaalsContact O-N 3.09Å; F267-F300 HydrophobicContact CD1-CB 3.82Å; F267-F300 HydrophobicContact CE1-CB 3.95Å; F267-T302 HydrophobicContact CD1-CG2 3.96Å; F267-T302 HydrophobicContact CE1-CG2 3.8Å |
| 268 | S | 97.3 | Very high | 95.8 | Very high | 22 Ų | 22 | 60.2 Ų | 60.2 | 15% | 0.154 | 31% | 0.305 | C | S | . | . | trans | -78.8 | 129.1 | 179.8 | -177.3 | 0 | 0 | 0 | 0 | 110.7 | N265 N274 | N265-S268 WeakPolarHBondContact O-CB 3.27Å; N265-S268 PolarHBondContact O-N 3.27Å; S268-N274 PolarHBondContact OG-ND2 3.43Å | ||
| 269 | L | 96.6 | Very high | 95.9 | Very high | 48 Ų | 48 | 60.6 Ų | 60.6 | 25% | 0.251 | 31% | 0.307 | S | S | . | . | trans | -112.2 | 9.8 | -179.3 | -51.6 | 176.3 | 0 | 0 | 0 | 112.3 | K273 N274 Q277 P301 | L269-K273 HydrophobicContact CB-CB 3.72Å; L269-K273 HydrophobicContact CB-CD 4.18Å; L269-K273 WeakPolarHBondContact O-CD 3.4Å; L269-N274 PolarHBondContact N-OD1 3.39Å; L269-Q277 HydrophobicContact CD1-CG 4.22Å; L269-P301 HydrophobicContact CD1-CB 3.85Å; L269-P301 HydrophobicContact CD1-CG 4.14Å; L269-P301 HydrophobicContact CD2-CB 3.96Å | ||
| 270 | G | 96.3 | Very high | 96.5 | Very high | 38 Ų | 38 | 52.2 Ų | 52.2 | 39% | 0.392 | 28% | 0.277 | S | S | . | . | trans | 94.5 | 150.8 | -168.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R272 K273 N274 | G270-R272 PolarHBondContact O-N 2.85Å; G270-K273 PolarHBondContact O-N 3.21Å; G270-N274 WeakPolarHBondContact O-CB 3.37Å; G270-N274 PolarHBondContact O-N 2.85Å; G270-N274 PolarHBondContact O-ND2 3.01Å; G270-N274 PolarHBondContact O-OD1 2.98Å | ||
| 271 | F | 96.7 | Very high | 96.9 | Very high | 136 Ų | 136 | 52.4 Ų | 52.4 | 60% | 0.596 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -53.7 | -48.2 | -166.7 | -177.6 | -100.7 | 0 | 0 | 0 | 114 | N274 I275 | F271-N274 PolarHBondContact O-N 2.97Å; F271-I275 HydrophobicContact CD1-CD1 3.87Å; F271-I275 HydrophobicContact CE1-CD1 3.34Å; F271-I275 HydrophobicContact CE2-CD1 4.2Å; F271-I275 HydrophobicContact CZ-CD1 3.54Å; F271-I275 WeakPolarHBondContact O-CG1 3.06Å; F271-I275 PolarHBondContact O-N 3.46Å |
| 272 | R | 97.1 | Very high | 97.1 | Very high | 195 Ų | 195 | 56.5 Ų | 56.5 | 74% | 0.736 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -62.9 | -46.3 | -179.9 | -65.8 | -177 | -178.4 | 175.5 | 3.2 | 112.1 | G270 N274 I275 A276 | G270-R272 PolarHBondContact O-N 2.85Å; R272-N274 VanDerWaalsContact C-N 3.33Å; R272-N274 PolarHBondContact O-N 3.38Å; R272-I275 PolarHBondContact O-N 2.97Å; R272-A276 PolarHBondContact O-N 3.09Å |
| 273 | K | 97.8 | Very high | 97.1 | Very high | 141 Ų | 141 | 59.6 Ų | 59.6 | 61% | 0.613 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -66.4 | -36.9 | 178.3 | -67.6 | -173.7 | -178.1 | 175 | 0 | 111.4 | L269 G270 I275 A276 Q277 | L269-K273 HydrophobicContact CB-CB 3.72Å; L269-K273 HydrophobicContact CB-CD 4.18Å; L269-K273 WeakPolarHBondContact O-CD 3.4Å; G270-K273 PolarHBondContact O-N 3.21Å; K273-I275 PolarHBondContact O-N 2.79Å; K273-A276 PolarHBondContact O-N 3.16Å; K273-Q277 VanDerWaalsContact O-CG 3.27Å; K273-Q277 WeakPolarHBondContact O-CG 3.49Å; K273-Q277 PolarHBondContact O-N 3.46Å |
| 274 | N | 98.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.7 | -41 | 176 | -66.9 | -15.3 | 0 | 0 | 0 | 112.3 | V243 G244 N246 S268 L269 G270 F271 R272 Q277 | V243-N274 WeakPolarHBondContact O-CB 3.43Å; G244-N274 PolarHBondContact O-ND2 3.01Å; N246-N274 HydrophobicContact CB-CB 3.95Å; N246-N274 WeakPolarHBondContact CB-OD1 3.19Å; S268-N274 PolarHBondContact OG-ND2 3.43Å; L269-N274 PolarHBondContact N-OD1 3.39Å; G270-N274 WeakPolarHBondContact O-CB 3.37Å; G270-N274 PolarHBondContact O-N 2.85Å; G270-N274 PolarHBondContact O-ND2 3.01Å; G270-N274 PolarHBondContact O-OD1 2.98Å; F271-N274 PolarHBondContact O-N 2.97Å; R272-N274 VanDerWaalsContact C-N 3.33Å; R272-N274 PolarHBondContact O-N 3.38Å; N274-Q277 WeakPolarHBondContact O-CB 3.48Å; N274-Q277 PolarHBondContact O-N 3.16Å |
| 275 | I | 98.4 | Very high | 97.3 | Very high | 33 Ų | 33 | 64 Ų | 64 | 17% | 0.169 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.3 | -46.7 | 172.8 | -69 | 172.6 | 0 | 0 | 0 | 110.5 | V243 F271 R272 K273 Q277 V278 F279 W286 | V243-I275 HydrophobicContact CG1-CG1 3.95Å; F271-I275 HydrophobicContact CD1-CD1 3.87Å; F271-I275 HydrophobicContact CE1-CD1 3.34Å; F271-I275 HydrophobicContact CE2-CD1 4.2Å; F271-I275 HydrophobicContact CZ-CD1 3.54Å; F271-I275 WeakPolarHBondContact O-CG1 3.06Å; F271-I275 PolarHBondContact O-N 3.46Å; R272-I275 PolarHBondContact O-N 2.97Å; K273-I275 PolarHBondContact O-N 2.79Å; I275-Q277 PolarHBondContact O-N 3.3Å; I275-V278 PolarHBondContact O-N 3.44Å; I275-F279 HydrophobicContact CG2-CD2 3.87Å; I275-F279 PolarHBondContact O-N 3.42Å; I275-W286 HydrophobicContact CG2-CH2 3.88Å; I275-W286 HydrophobicContact CG2-CZ2 4.27Å; I275-W286 HydrophobicContact CG2-CZ3 4.22Å |
| 276 | A | 98.2 | Very high | 97.4 | Very high | 13 Ų | 13 | 65.1 Ų | 65.1 | 11% | 0.107 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.8 | -32.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R272 K273 V278 G280 | R272-A276 PolarHBondContact O-N 3.09Å; K273-A276 PolarHBondContact O-N 3.16Å; A276-V278 PolarHBondContact O-N 3.33Å; A276-G280 WeakPolarHBondContact O-CA 3.13Å; A276-G280 PolarHBondContact O-N 3.3Å |
| 277 | Q | 98.5 | Very high | 97.5 | Very high | 19 Ų | 19 | 70.6 Ų | 70.6 | 9% | 0.089 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.4 | -30.2 | 173.8 | -71.2 | -79.1 | -59.3 | 0 | 0 | 112.9 | L269 K273 N274 I275 S293 Q294 | L269-Q277 HydrophobicContact CD1-CG 4.22Å; K273-Q277 VanDerWaalsContact O-CG 3.27Å; K273-Q277 WeakPolarHBondContact O-CG 3.49Å; K273-Q277 PolarHBondContact O-N 3.46Å; N274-Q277 WeakPolarHBondContact O-CB 3.48Å; N274-Q277 PolarHBondContact O-N 3.16Å; I275-Q277 PolarHBondContact O-N 3.3Å; Q277-S293 WeakPolarHBondContact O-CA 3.29Å; Q277-Q294 PolarHBondContact O-N 3.27Å |
| 278 | V | 98.6 | Very high | 97.6 | Very high | 3 Ų | 3 | 73 Ų | 73 | 2% | 0.018 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -94.8 | -44.6 | 179.3 | -179.7 | 0 | 0 | 0 | 0 | 111.9 | Y165 K166 V243 I275 A276 S293 | Y165-V278 HydrophobicContact CD1-CG1 3.99Å; Y165-V278 HydrophobicContact CD1-CG2 4.04Å; Y165-V278 HydrophobicContact CE1-CG2 4.29Å; K166-V278 HydrophobicContact CB-CG1 4.05Å; V243-V278 HydrophobicContact CG1-CG2 4.29Å; V243-V278 HydrophobicContact CG2-CG2 4.48Å; I275-V278 PolarHBondContact O-N 3.44Å; A276-V278 PolarHBondContact O-N 3.33Å; V278-S293 WeakPolarHBondContact O-CA 3.29Å; V278-S293 WeakPolarHBondContact O-CB 3.49Å; V278-S293 PolarHBondContact O-OG 3.07Å |
| 279 | F | 98.5 | Very high | 97.7 | Very high | 24 Ų | 24 | 72 Ų | 72 | 11% | 0.105 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -98.8 | -11.7 | -171.4 | -70.3 | -88.1 | 0 | 0 | 0 | 114.5 | K166 I169 L170 V243 I275 W286 T292 | K166-F279 HydrophobicContact CD-CD1 4.32Å; K166-F279 HydrophobicContact CG-CD1 4.02Å; K166-F279 HydrophobicContact CG-CE1 4.1Å; I169-F279 HydrophobicContact CB-CZ 4.23Å; I169-F279 HydrophobicContact CG2-CZ 3.77Å; L170-F279 HydrophobicContact CD2-CE1 4.23Å; L170-F279 HydrophobicContact CG-CE1 4.44Å; V243-F279 HydrophobicContact CG1-CE2 4.41Å; I275-F279 HydrophobicContact CG2-CD2 3.87Å; I275-F279 PolarHBondContact O-N 3.42Å; F279-W286 HydrophobicContact CB-CD2 4.06Å; F279-W286 HydrophobicContact CB-CG 3.92Å; F279-W286 HydrophobicContact CD1-CB 4.28Å; F279-W286 HydrophobicContact CD1-CG 4.43Å; F279-T292 WeakPolarHBondContact O-CB 3.36Å; F279-T292 PolarHBondContact O-OG1 3.36Å |
| 280 | G | 97.9 | Very high | 97.7 | Very high | 5 Ų | 5 | 73.2 Ų | 73.2 | 5% | 0.052 | 35% | 0.345 | C | S | . | . | trans | 78.5 | 174.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A276 W286 T292 | A276-G280 WeakPolarHBondContact O-CA 3.13Å; A276-G280 PolarHBondContact O-N 3.3Å; G280-W286 PolarHBondContact O-NE1 3.19Å; G280-T292 WeakPolarHBondContact CA-O 3.47Å; G280-T292 PolarHBondContact N-O 3.41Å | ||
| 281 | D | 97.1 | Very high | 97.8 | Very high | 120 Ų | 120 | 75.8 Ų | 75.8 | 64% | 0.642 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -79.4 | -28.1 | -178.1 | -53.7 | -61.3 | 0 | 0 | 0 | 112.7 | K283 Q294 | D281-K283 PolarHBondContact O-N 3Å; D281-K283 VanDerWaalsContact O-N 3.11Å; D281-Q294 PolarHBondContact OD1-NE2 2.6Å; D281-Q294 PolarHBondContact OD2-NE2 3.01Å |
| 282 | Q | 97.2 | Very high | 97.9 | Very high | 114 Ų | 114 | 70.8 Ų | 70.8 | 53% | 0.533 | 33% | 0.327 | S | S | . | . | trans | -81.6 | 93.8 | -176.5 | -61.7 | -170.6 | 25.3 | 0 | 0 | 111.5 | Q284 Y285 | Q282-Q284 HydrophobicContact CB-CG 4.43Å; Q282-Q284 PolarHBondContact O-N 3.15Å; Q282-Q284 VanDerWaalsContact O-N 3.11Å; Q282-Y285 HydrophobicContact CB-CD2 3.85Å; Q282-Y285 HydrophobicContact CB-CE2 4.35Å; Q282-Y285 PolarHBondContact O-N 3.39Å | ||
| 283 | K | 95.8 | Very high | 98 | Very high | 156 Ų | 156 | 62.2 Ų | 62.2 | 68% | 0.678 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -53.7 | -31.5 | -177 | -64.7 | -175.6 | -177 | 176.3 | 0 | 114.8 | D281 Y285 W286 | D281-K283 PolarHBondContact O-N 3Å; D281-K283 VanDerWaalsContact O-N 3.11Å; K283-Y285 PolarHBondContact O-N 3.43Å; K283-Y285 VanDerWaalsContact O-N 3.11Å; K283-W286 VanDerWaalsContact CA-CD1 3.48Å; K283-W286 HydrophobicContact CB-CD2 4.44Å; K283-W286 HydrophobicContact CG-CD2 4.28Å; K283-W286 HydrophobicContact CG-CH2 4.39Å; K283-W286 HydrophobicContact CG-CZ2 3.97Å; K283-W286 WeakPolarHBondContact O-CB 3.31Å; K283-W286 PolarHBondContact O-N 3.09Å |
| 284 | Q | 96.9 | Very high | 98 | Very high | 130 Ų | 130 | 57.8 Ų | 57.8 | 61% | 0.607 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -56.7 | -27.2 | 177.5 | 65.4 | -174.1 | -5.1 | 0 | 0 | 113.7 | Q282 | Q282-Q284 HydrophobicContact CB-CG 4.43Å; Q282-Q284 PolarHBondContact O-N 3.15Å; Q282-Q284 VanDerWaalsContact O-N 3.11Å |
| 285 | Y | 97.8 | Very high | 97.9 | Very high | 85 Ų | 85 | 60.4 Ų | 60.4 | 33% | 0.333 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -96.6 | -1 | -180 | -60.4 | -49.8 | 0 | 0 | 0 | 113.6 | K166 Q282 K283 L287 L288 T292 | K166-Y285 PolarHBondContact NZ-O 3.35Å; Q282-Y285 HydrophobicContact CB-CD2 3.85Å; Q282-Y285 HydrophobicContact CB-CE2 4.35Å; Q282-Y285 PolarHBondContact O-N 3.39Å; K283-Y285 PolarHBondContact O-N 3.43Å; K283-Y285 VanDerWaalsContact O-N 3.11Å; Y285-L287 VanDerWaalsContact C-N 3.28Å; Y285-L287 PolarHBondContact O-N 3Å; Y285-L288 HydrophobicContact CD1-CD1 4.19Å; Y285-L288 PolarHBondContact O-N 3.48Å; Y285-L288 VanDerWaalsContact O-N 3.12Å; Y285-T292 HydrophobicContact CD2-CG2 4.25Å; Y285-T292 HydrophobicContact CG-CG2 4.3Å |
| 286 | W | 98.1 | Very high | 97.7 | Very high | 78 Ų | 78 | 62.5 Ų | 62.5 | 30% | 0.295 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -40.8 | -174.3 | -77.9 | 15.3 | 0 | 0 | 0 | 112.1 | L170 I275 F279 G280 K283 L288 | L170-W286 WeakPolarHBondContact CD2-O 3.36Å; I275-W286 HydrophobicContact CG2-CH2 3.88Å; I275-W286 HydrophobicContact CG2-CZ2 4.27Å; I275-W286 HydrophobicContact CG2-CZ3 4.22Å; F279-W286 HydrophobicContact CB-CD2 4.06Å; F279-W286 HydrophobicContact CB-CG 3.92Å; F279-W286 HydrophobicContact CD1-CB 4.28Å; F279-W286 HydrophobicContact CD1-CG 4.43Å; G280-W286 PolarHBondContact O-NE1 3.19Å; K283-W286 VanDerWaalsContact CA-CD1 3.48Å; K283-W286 HydrophobicContact CB-CD2 4.44Å; K283-W286 HydrophobicContact CG-CD2 4.28Å; K283-W286 HydrophobicContact CG-CH2 4.39Å; K283-W286 HydrophobicContact CG-CZ2 3.97Å; K283-W286 WeakPolarHBondContact O-CB 3.31Å; K283-W286 PolarHBondContact O-N 3.09Å; W286-L288 VanDerWaalsContact C-N 3.35Å |
| 287 | L | 98.3 | Very high | 97.6 | Very high | 117 Ų | 117 | 61.9 Ų | 61.9 | 61% | 0.613 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -9.8 | -179.8 | -61.9 | -176.3 | 0 | 0 | 0 | 113.1 | M61 Y174 Y285 | M61-L287 VanDerWaalsContact CE-O 3.22Å; M61-L287 WeakPolarHBondContact CE-O 3.36Å; Y174-L287 WeakPolarHBondContact OH-CB 2.96Å; Y174-L287 PolarHBondContact OH-O 3.34Å; Y285-L287 VanDerWaalsContact C-N 3.28Å; Y285-L287 PolarHBondContact O-N 3Å |
| 288 | L | 98.4 | Very high | 97.5 | Very high | 55 Ų | 55 | 62.2 Ų | 62.2 | 29% | 0.288 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -93.6 | 134.8 | -178.6 | -59.7 | -173.9 | 0 | 0 | 0 | 111.2 | M61 W64 K166 L170 Y285 W286 I290 | M61-L288 HydrophobicContact CE-CD2 4.06Å; W64-L288 HydrophobicContact CH2-CB 4.38Å; W64-L288 HydrophobicContact CH2-CD2 4.34Å; W64-L288 HydrophobicContact CZ3-CD2 4.02Å; K166-L288 WeakPolarHBondContact CE-O 2.99Å; K166-L288 PolarHBondContact NZ-O 3.36Å; K166-L288 VanDerWaalsContact NZ-O 3.1Å; L170-L288 WeakPolarHBondContact CD1-O 3.5Å; Y285-L288 HydrophobicContact CD1-CD1 4.19Å; Y285-L288 PolarHBondContact O-N 3.48Å; Y285-L288 VanDerWaalsContact O-N 3.12Å; W286-L288 VanDerWaalsContact C-N 3.35Å; L288-I290 HydrophobicContact CB-CD1 3.97Å; L288-I290 HydrophobicContact CB-CG1 4.16Å; L288-I290 HydrophobicContact CD1-CD1 4.06Å; L288-I290 PolarHBondContact O-N 3.4Å |
| 289 | P | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.006 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -66.3 | 48.2 | 171.1 | -23 | 35 | 0 | 0 | 0 | 114.9 | M61 W64 K68 F167 L170 | M61-P289 HydrophobicContact CE-CG 4.47Å; W64-P289 HydrophobicContact CB-CG 4.45Å; W64-P289 HydrophobicContact CD2-CB 4.07Å; W64-P289 HydrophobicContact CD2-CG 3.78Å; W64-P289 HydrophobicContact CE3-CG 4.01Å; W64-P289 HydrophobicContact CG-CB 4.19Å; W64-P289 HydrophobicContact CG-CG 3.99Å; W64-P289 HydrophobicContact CZ2-CB 4.5Å; K68-P289 HydrophobicContact CB-CB 4.27Å; K68-P289 VanDerWaalsContact CE-O 3.32Å; K68-P289 WeakPolarHBondContact CE-O 3.25Å; K68-P289 HydrophobicContact CG-CB 3.92Å; F167-P289 HydrophobicContact CD1-CB 4.28Å; F167-P289 VanDerWaalsContact CE1-O 3.3Å; F167-P289 WeakPolarHBondContact CE1-O 3.43Å; L170-P289 HydrophobicContact CD1-CG 4.29Å |
| 290 | I | 98.3 | Very high | 97.2 | Very high | 73 Ų | 73 | 63.6 Ų | 63.6 | 37% | 0.374 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -113.7 | 139.7 | 177.4 | -58 | 169.5 | 0 | 0 | 0 | 108.2 | W64 K166 F167 L288 T292 | W64-I290 HydrophobicContact CH2-CD1 4.39Å; W64-I290 HydrophobicContact CH2-CG1 4.34Å; W64-I290 HydrophobicContact CZ2-CG1 4.07Å; K166-I290 PolarHBondContact NZ-O 3.45Å; F167-I290 VanDerWaalsContact CE1-C 3.45Å; L288-I290 HydrophobicContact CB-CD1 3.97Å; L288-I290 HydrophobicContact CB-CG1 4.16Å; L288-I290 HydrophobicContact CD1-CD1 4.06Å; L288-I290 PolarHBondContact O-N 3.4Å; I290-T292 PolarHBondContact O-N 3.48Å |
| 291 | F | 98.3 | Very high | 97.1 | Very high | 93 Ų | 93 | 66.3 Ų | 66.3 | 41% | 0.408 | 34% | 0.341 | S | S | . | . | trans | -68.3 | 120.8 | -177 | -175.8 | -94.5 | 0 | 0 | 0 | 110 | F162 S163 F167 | F162-F291 HydrophobicContact CE1-CE2 4.37Å; F162-F291 AromaticContact CE1-CZ 3.76Å; F162-F291 HydrophobicContact CE1-CZ 3.76Å; F162-F291 AromaticContact CZ-CZ 3.98Å; F162-F291 HydrophobicContact CZ-CZ 3.98Å; S163-F291 WeakPolarHBondContact O-CD2 3.36Å; F167-F291 HydrophobicContact CZ-CB 3.93Å | ||
| 292 | T | 98.4 | Very high | 96.8 | Very high | 31 Ų | 31 | 61.4 Ų | 61.4 | 19% | 0.19 | 32% | 0.315 | C | S | . | . | trans | -142.8 | 12 | 178.6 | 59.3 | 0 | 0 | 0 | 0 | 112.4 | K166 F279 G280 Y285 I290 | K166-T292 PolarHBondContact NZ-OG1 3.37Å; F279-T292 WeakPolarHBondContact O-CB 3.36Å; F279-T292 PolarHBondContact O-OG1 3.36Å; G280-T292 WeakPolarHBondContact CA-O 3.47Å; G280-T292 PolarHBondContact N-O 3.41Å; Y285-T292 HydrophobicContact CD2-CG2 4.25Å; Y285-T292 HydrophobicContact CG-CG2 4.3Å; I290-T292 PolarHBondContact O-N 3.48Å | ||
| 293 | S | 98.3 | Very high | 96.3 | Very high | 14 Ų | 14 | 62.6 Ų | 62.6 | 10% | 0.098 | 32% | 0.315 | C | S | . | . | trans | -65.1 | 143.9 | 176.6 | -55.1 | 0 | 0 | 0 | 0 | 110.1 | Q277 V278 | Q277-S293 WeakPolarHBondContact O-CA 3.29Å; V278-S293 WeakPolarHBondContact O-CA 3.29Å; V278-S293 WeakPolarHBondContact O-CB 3.49Å; V278-S293 PolarHBondContact O-OG 3.07Å | ||
| 294 | Q | 98.1 | Very high | 95 | Very high | 48 Ų | 48 | 58.8 Ų | 58.8 | 22% | 0.224 | 30% | 0.302 | C | S | . | . | trans | -84.1 | 156.7 | -178.8 | -65.8 | 174.2 | -18.8 | 0 | 0 | 111.3 | F162 Q277 D281 | F162-Q294 WeakPolarHBondContact CE2-O 3.38Å; Q277-Q294 PolarHBondContact O-N 3.27Å; D281-Q294 PolarHBondContact OD1-NE2 2.6Å; D281-Q294 PolarHBondContact OD2-NE2 3.01Å | ||
| 295 | G | 95.8 | Very high | 92.9 | Very high | 57 Ų | 57 | 57 Ų | 57 | 59% | 0.588 | 30% | 0.3 | S | S | * | . | S | Bend | trans | 84.5 | -176.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | F162 | F162-G295 WeakPolarHBondContact CZ-O 3.45Š|
| 296 | D | 95.6 | Very high | 90.2 | Very high | 77 Ų | 77 | 61 Ų | 61 | 41% | 0.412 | 33% | 0.326 | S | S | . | . | trans | -103.7 | -9.8 | -179.2 | 59 | 5.6 | 0 | 0 | 0 | 112.9 | L298 T299 | D296-L298 PolarHBondContact O-N 3.41Å; D296-L298 WeakPolarHBondContact OD1-CA 3.48Å; D296-L298 PolarHBondContact OD1-N 3.42Å; D296-T299 PolarHBondContact OD1-N 3.03Å; D296-T299 PolarHBondContact OD1-OG1 3.26Å; D296-T299 PolarHBondContact OD2-OG1 2.92Å | ||
| 297 | G | 95.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 34% | 0.343 | C | S | . | . | S | Bend | trans | 81 | -4.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L147 F300 | L147-G297 WeakPolarHBondContact CB-O 3.12Å; G297-F300 WeakPolarHBondContact O-CE2 3.28Å; G297-F300 VanDerWaalsContact O-CZ 3.32Å; G297-F300 WeakPolarHBondContact O-CZ 3.28Å |
| 298 | L | 95.6 | Very high | 84.3 | Confident | 25 Ų | 25 | 61.6 Ų | 61.6 | 13% | 0.131 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -95.5 | -40.4 | 177.5 | -58.4 | 168.7 | 0 | 0 | 0 | 110.3 | F81 P133 L147 D296 | F81-L298 HydrophobicContact CD2-CD2 4.19Å; F81-L298 HydrophobicContact CE2-CB 4.11Å; F81-L298 HydrophobicContact CE2-CD1 4.17Å; F81-L298 HydrophobicContact CE2-CD2 3.83Å; F81-L298 HydrophobicContact CE2-CG 4.26Å; F81-L298 HydrophobicContact CZ-CB 4.22Å; F81-L298 HydrophobicContact CZ-CD2 4.49Å; P133-L298 HydrophobicContact CB-CD2 4.46Å; P133-L298 HydrophobicContact CG-CD2 3.89Å; L147-L298 HydrophobicContact CD1-CD2 3.7Å; L147-L298 HydrophobicContact CD1-CG 4.16Å; L147-L298 HydrophobicContact CD2-CD2 3.79Å; L147-L298 HydrophobicContact CG-CD2 4.41Å; D296-L298 PolarHBondContact O-N 3.41Å; D296-L298 WeakPolarHBondContact OD1-CA 3.48Å; D296-L298 PolarHBondContact OD1-N 3.42Å |
| 299 | T | 94.9 | Very high | 81.3 | Confident | 48 Ų | 48 | 64.4 Ų | 64.4 | 29% | 0.294 | 38% | 0.378 | S | S | . | . | trans | -119 | 145.5 | -179.9 | 60.7 | 0 | 0 | 0 | 0 | 110.9 | P112 D296 | P112-T299 HydrophobicContact CB-CG2 3.76Å; P112-T299 HydrophobicContact CG-CG2 3.33Å; D296-T299 PolarHBondContact OD1-N 3.03Å; D296-T299 PolarHBondContact OD1-OG1 3.26Å; D296-T299 PolarHBondContact OD2-OG1 2.92Å | ||
| 300 | F | 96.1 | Very high | 78.3 | Confident | 8 Ų | 8 | 73.1 Ų | 73.1 | 4% | 0.035 | 42% | 0.419 | C | S | . | . | trans | -137.2 | 135.1 | 179.7 | -60.5 | -82.4 | 0 | 0 | 0 | 109.5 | D134 R135 K148 F162 F267 G297 T302 | D134-F300 HydrophobicContact CB-CD2 4.43Å; D134-F300 WeakPolarHBondContact O-CE2 3.36Å; R135-F300 HydrophobicContact CB-CD2 4.42Å; R135-F300 HydrophobicContact CB-CE2 4.07Å; R135-F300 VanDerWaalsContact CD-CD2 3.49Å; R135-F300 HydrophobicContact CG-CD2 3.86Å; R135-F300 HydrophobicContact CG-CE2 4.02Å; R135-F300 HydrophobicContact CG-CG 4.46Å; K148-F300 HydrophobicContact CB-CE1 4.34Å; K148-F300 HydrophobicContact CB-CZ 3.81Å; K148-F300 HydrophobicContact CD-CE1 3.81Å; K148-F300 HydrophobicContact CD-CZ 4.14Å; K148-F300 HydrophobicContact CG-CE1 4.29Å; K148-F300 HydrophobicContact CG-CZ 4.14Å; F162-F300 HydrophobicContact CD2-CE1 4.26Å; F162-F300 HydrophobicContact CD2-CZ 4.44Å; F162-F300 HydrophobicContact CE2-CE1 4.45Å; F267-F300 HydrophobicContact CD1-CB 3.82Å; F267-F300 HydrophobicContact CE1-CB 3.95Å; G297-F300 WeakPolarHBondContact O-CE2 3.28Å; G297-F300 VanDerWaalsContact O-CZ 3.32Å; G297-F300 WeakPolarHBondContact O-CZ 3.28Å; F300-T302 PolarHBondContact O-N 3.36Å | ||
| 301 | P | 95.1 | Very high | 75.5 | Confident | 63 Ų | 63 | 76.9 Ų | 76.9 | 41% | 0.409 | 44% | 0.435 | S | S | . | . | trans | -59.9 | 138.1 | 172.5 | -18.2 | 29.5 | 0 | 0 | 0 | 110.2 | L269 | L269-P301 HydrophobicContact CD1-CB 3.85Å; L269-P301 HydrophobicContact CD1-CG 4.14Å; L269-P301 HydrophobicContact CD2-CB 3.96Å | ||
| 302 | T | 92 | Very high | 72.3 | Confident | 17 Ų | 17 | 76.6 Ų | 76.6 | 10% | 0.104 | 45% | 0.45 | C | S | . | . | trans | -111.9 | 155.6 | 178.8 | 70.8 | 0 | 0 | 0 | 0 | 110.5 | Y114 F258 G266 F267 F300 L304 V305 | Y114-T302 HydrophobicContact CD2-CG2 3.88Å; Y114-T302 HydrophobicContact CE2-CG2 4.44Å; Y114-T302 HydrophobicContact CG-CG2 4.07Å; F258-T302 HydrophobicContact CE1-CG2 4.06Å; G266-T302 CarbonylContact O-C 3.6Å; G266-T302 VanDerWaalsContact O-CA 3.25Å; G266-T302 WeakPolarHBondContact O-CA 3.28Å; G266-T302 WeakPolarHBondContact O-CB 3.32Å; F267-T302 HydrophobicContact CD1-CG2 3.96Å; F267-T302 HydrophobicContact CE1-CG2 3.8Å; F300-T302 PolarHBondContact O-N 3.36Å; T302-L304 VanDerWaalsContact C-N 3.26Å; T302-L304 PolarHBondContact O-N 2.92Å; T302-V305 WeakPolarHBondContact OG1-CG2 3.48Å | ||
| 303 | R | 86.1 | Confident | 69 | Low | 138 Ų | 138 | 80.3 Ų | 80.3 | 52% | 0.521 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -27.8 | 178.4 | -174.1 | 175.4 | 66.8 | 118.8 | -0.8 | 112.7 | D263 G266 | D263-R303 IonicContact OD1-NH2 3.84Å; D263-R303 IonicContact OD2-CZ 2.92Å; D263-R303 IonicContact OD2-NE 3.76Å; D263-R303 IonicContact OD2-NH2 2.77Å; D263-R303 PolarHBondContact OD2-NH2 3.49Å; G266-R303 PolarHBondContact O-N 2.84Å |
| 304 | L | 68.1 | Low | 65.8 | Low | 77 Ų | 77 | 86.3 Ų | 86.3 | 40% | 0.403 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 21.1 | -166.3 | -72.4 | 169.3 | 0 | 0 | 0 | 114.6 | T302 N306 | T302-L304 VanDerWaalsContact C-N 3.26Å; T302-L304 PolarHBondContact O-N 2.92Å; L304-N306 PolarHBondContact O-N 3.35Å |
| 305 | V | 53.5 | Low | 62.5 | Low | 93 Ų | 93 | 89.1 Ų | 89.1 | 56% | 0.564 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -73.5 | -8.4 | -179.1 | -173.6 | 0 | 0 | 0 | 0 | 113.9 | T302 A307 | T302-V305 WeakPolarHBondContact OG1-CG2 3.48Å; V305-A307 PolarHBondContact O-N 3.17Å |
| 306 | N | 41 | Very low | 59.3 | Low | 167 Ų | 167 | 94 Ų | 94 | 89% | 0.893 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -94.1 | 23.3 | -178.4 | -79 | -1.4 | 0 | 0 | 0 | 115.8 | L304 | L304-N306 PolarHBondContact O-N 3.35Š|
| 307 | A | 39.4 | Very low | 56 | Low | 79 Ų | 79 | 98.7 Ų | 98.7 | 65% | 0.653 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -141.4 | 23.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | V305 | V305-A307 PolarHBondContact O-N 3.17Š|
| 308 | D | 33.7 | Very low | 52.8 | Low | 129 Ų | 129 | 104.5 Ų | 104.5 | 69% | 0.69 | 60% | 0.598 | S | S | * | * | trans | -136.6 | 107.3 | 167 | -82.6 | -34.2 | 0 | 0 | 0 | 110.8 | E310 | D308-E310 PolarHBondContact O-N 3.06Å; D308-E310 VanDerWaalsContact O-N 3.11Å | ||
| 309 | A | 33.9 | Very low | 49.5 | Very low | 115 Ų | 115 | 111.2 Ų | 111.2 | 95% | 0.95 | 63% | 0.634 | S | S | * | * | trans | -77.4 | 27.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 310 | E | 35.7 | Very low | 46.4 | Very low | 183 Ų | 183 | 114 Ų | 114 | 86% | 0.855 | 66% | 0.655 | S | S | * | * | trans | -133.4 | 31.7 | -173.9 | -120.4 | -177.2 | 178.7 | 0 | 0 | 114 | D308 | D308-E310 PolarHBondContact O-N 3.06Å; D308-E310 VanDerWaalsContact O-N 3.11Å | ||
| 311 | Q | 39.8 | Very low | 43.2 | Very low | 153 Ų | 153 | 121 Ų | 121 | 72% | 0.715 | 69% | 0.693 | S | S | * | * | trans | -120.5 | 73.1 | 152.3 | -94.5 | 174.9 | -21.6 | 0 | 0 | 108.9 | T313 | Q311-T313 PolarHBondContact O-N 3.22Š| ||
| 312 | A | 30.6 | Very low | 40 | Very low | 86 Ų | 86 | 127.8 Ų | 127.8 | 71% | 0.711 | 72% | 0.716 | S | S | * | * | trans | -67.2 | 112.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 313 | T | 30.4 | Very low | 36.9 | Very low | 110 Ų | 110 | 133.4 Ų | 133.4 | 68% | 0.675 | 75% | 0.754 | S | S | * | * | trans | 53.7 | 94.2 | 135 | -32.7 | 0 | 0 | 0 | 0 | 117.5 | Q311 T315 | Q311-T313 PolarHBondContact O-N 3.22Å; T313-T315 VanDerWaalsContact CG2-OG1 3.27Å; T313-T315 WeakPolarHBondContact CG2-OG1 3.46Å | ||
| 314 | V | 31.4 | Very low | 34 | Very low | 140 Ų | 140 | 133 Ų | 133 | 85% | 0.848 | 77% | 0.767 | S | S | * | * | trans | -110.8 | 73.3 | 144.5 | -173.6 | 0 | 0 | 0 | 0 | 107.5 | L316 | V314-L316 PolarHBondContact O-N 3.44Š| ||
| 315 | T | 28.7 | Very low | 32.1 | Very low | 106 Ų | 106 | 135.1 Ų | 135.1 | 65% | 0.65 | 79% | 0.786 | S | S | * | * | trans | -75.2 | 114.8 | 156.6 | -47.3 | 0 | 0 | 0 | 0 | 105.5 | T313 Q317 | T313-T315 VanDerWaalsContact CG2-OG1 3.27Å; T313-T315 WeakPolarHBondContact CG2-OG1 3.46Å; T315-Q317 VanDerWaalsContact C-N 3.33Å; T315-Q317 PolarHBondContact O-N 2.72Å | ||
| 316 | L | 28.5 | Very low | 30.8 | Very low | 160 Ų | 160 | 139.9 Ų | 139.9 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | trans | -59.1 | 99.7 | 165.3 | -74.8 | 160.7 | 0 | 0 | 0 | 107.5 | V314 | V314-L316 PolarHBondContact O-N 3.44Š| ||
| 317 | Q | 25.2 | Very low | 30 | Very low | 176 Ų | 176 | 138.7 Ų | 138.7 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 130.9 | 162.6 | -81 | -174.3 | -19.7 | 0 | 0 | 107.8 | T315 | T315-Q317 VanDerWaalsContact C-N 3.33Å; T315-Q317 PolarHBondContact O-N 2.72Å |
| 318 | P | 29.5 | Very low | 29.3 | Very low | 121 Ų | 121 | 140.1 Ų | 140.1 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 124.7 | 163.7 | 19.3 | -8.5 | 0 | 0 | 0 | 108.6 | S320 | P318-S320 PolarHBondContact O-N 2.9Š|
| 319 | D | 26.8 | Very low | 29 | Very low | 166 Ų | 166 | 140.6 Ų | 140.6 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -48 | 124.5 | 173.8 | -84.7 | -39.9 | 0 | 0 | 0 | 111.7 | N321 | D319-N321 PolarHBondContact O-N 3.48Š|
| 320 | S | 28.9 | Very low | 28.9 | Very low | 107 Ų | 107 | 140.1 Ų | 140.1 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | -73.3 | 95.3 | 167 | 41.9 | 0 | 0 | 0 | 0 | 109.7 | P318 | P318-S320 PolarHBondContact O-N 2.9Š| ||
| 321 | N | 29.3 | Very low | 28.7 | Very low | 154 Ų | 154 | 137.7 Ų | 137.7 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | -175.7 | 92.8 | 146.4 | -95.7 | -25 | 0 | 0 | 0 | 111.3 | D319 | D319-N321 PolarHBondContact O-N 3.48Š| ||
| 322 | K | 28.4 | Very low | 28.4 | Very low | 206 Ų | 206 | 137.5 Ų | 137.5 | 90% | 0.896 | 81% | 0.806 | S | S | * | * | trans | 179.4 | 137.3 | 139 | -96.9 | 159.3 | -172.4 | -177.2 | 0 | 110.5 | ||||
| 323 | C | 25.7 | Very low | 28.9 | Very low | 135 Ų | 135 | 137.4 Ų | 137.4 | 91% | 0.912 | 80% | 0.799 | S | S | * | * | trans | -53 | 141.5 | -175.8 | -77.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 324 | V | 26.4 | Very low | 29.1 | Very low | 130 Ų | 130 | 140.4 Ų | 140.4 | 79% | 0.788 | 81% | 0.806 | S | S | * | * | trans | -132.9 | 138.5 | 160.2 | -177.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 325 | P | 28 | Very low | 29.4 | Very low | 122 Ų | 122 | 137.3 Ų | 137.3 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | trans | -83.8 | 143.1 | 164.8 | 24.2 | -13.8 | 0 | 0 | 0 | 112.1 | ||||
| 326 | E | 24.6 | Very low | 29.9 | Very low | 193 Ų | 193 | 137.6 Ų | 137.6 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | trans | -36.6 | 138.7 | -175.9 | -74.1 | 168.8 | 132.2 | 0 | 0 | 118.7 | ||||
| 327 | V | 24.3 | Very low | 30.4 | Very low | 141 Ų | 141 | 135.4 Ų | 135.4 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | trans | -140 | 123.5 | 141 | -178.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 328 | S | 25.1 | Very low | 30.9 | Very low | 110 Ų | 110 | 136.9 Ų | 136.9 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | -80.1 | 134.8 | -177.8 | 55.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 329 | V | 27.1 | Very low | 31.3 | Very low | 139 Ų | 139 | 136.6 Ų | 136.6 | 84% | 0.842 | 76% | 0.763 | S | S | * | * | trans | -137.5 | 128.4 | 159.6 | -172.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 330 | S | 32.2 | Very low | 32 | Very low | 105 Ų | 105 | 133.5 Ų | 133.5 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 161.4 | -175.7 | 46.4 | 0 | 0 | 0 | 0 | 114.9 | ||
| 331 | P | 32.7 | Very low | 32.5 | Very low | 131 Ų | 131 | 131.8 Ų | 131.8 | 85% | 0.851 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 151 | -178.6 | 10.1 | 5.4 | 0 | 0 | 0 | 114.1 | ||
| 332 | L | 32.3 | Very low | 33 | Very low | 150 Ų | 150 | 129.7 Ų | 129.7 | 79% | 0.785 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -68 | 144.9 | -177.8 | -76.8 | 147.9 | 0 | 0 | 0 | 113.7 | ||
| 333 | S | 42.3 | Very low | 33.8 | Very low | 83 Ų | 83 | 125.7 Ų | 125.7 | 58% | 0.58 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 153 | -174 | 63.2 | 0 | 0 | 0 | 0 | 115.2 | S335 | S333-S335 PolarHBondContact O-N 3.32Å; S333-S335 PolarHBondContact OG-OG 2.92Å |
| 334 | E | 34.5 | Very low | 34.5 | Very low | 173 Ų | 173 | 125.7 Ų | 125.7 | 81% | 0.808 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.9 | -4.7 | 179.4 | -70.7 | 175.6 | 131.3 | 0 | 0 | 117.7 | Q336 | E334-Q336 PolarHBondContact O-N 3.44Š|
| 335 | S | 37.3 | Very low | 34.9 | Very low | 76 Ų | 76 | 126.3 Ų | 126.3 | 53% | 0.531 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -71.4 | -26.6 | -178.6 | 64.9 | 0 | 0 | 0 | 0 | 114 | S333 | S333-S335 PolarHBondContact O-N 3.32Å; S333-S335 PolarHBondContact OG-OG 2.92Å |
| 336 | Q | 39.8 | Very low | 35.4 | Very low | 112 Ų | 112 | 123 Ų | 123 | 52% | 0.523 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -76.1 | -26.3 | -179.6 | -76.9 | -177.3 | -30.8 | 0 | 0 | 113.6 | E334 R338 L339 | E334-Q336 PolarHBondContact O-N 3.44Å; Q336-R338 VanDerWaalsContact C-N 3.32Å; Q336-R338 PolarHBondContact O-N 2.99Å; Q336-L339 PolarHBondContact O-N 3.31Å |
| 337 | N | 37.1 | Very low | 36.3 | Very low | 113 Ų | 113 | 118 Ų | 118 | 60% | 0.604 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -72.1 | -25.6 | 179.6 | -73.3 | -21.4 | 0 | 0 | 0 | 112.7 | S341 | N337-S341 PolarHBondContact O-OG 3.33Å; N337-S341 VanDerWaalsContact O-OG 3.09Å |
| 338 | R | 35.5 | Very low | 37.1 | Very low | 208 Ų | 208 | 116.5 Ų | 116.5 | 79% | 0.785 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -77.8 | -25.2 | 177.2 | -76.8 | -172 | 175.9 | -174 | 0 | 113.8 | Q336 | Q336-R338 VanDerWaalsContact C-N 3.32Å; Q336-R338 PolarHBondContact O-N 2.99Å |
| 339 | L | 39.4 | Very low | 37.9 | Very low | 115 Ų | 115 | 113.8 Ų | 113.8 | 60% | 0.602 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -74.3 | -39.1 | 177.8 | -81.2 | 160.1 | 0 | 0 | 0 | 111.9 | Q336 S341 N342 E343 | Q336-L339 PolarHBondContact O-N 3.31Å; L339-S341 VanDerWaalsContact C-N 3.33Å; L339-S341 PolarHBondContact O-N 3.05Å; L339-N342 PolarHBondContact O-N 3.42Å; L339-E343 PolarHBondContact O-N 3.4Å; L339-E343 VanDerWaalsContact O-N 3.16Å |
| 340 | L | 40 | Very low | 39 | Very low | 101 Ų | 101 | 111.7 Ų | 111.7 | 53% | 0.529 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -61.6 | -39.1 | 176.5 | -77.3 | 160.7 | 0 | 0 | 0 | 112.7 | E343 Q344 | L340-E343 PolarHBondContact O-N 3.45Å; L340-Q344 PolarHBondContact O-N 3.07Å |
| 341 | S | 40.2 | Very low | 39.7 | Very low | 70 Ų | 70 | 112.1 Ų | 112.1 | 49% | 0.49 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.1 | -38.8 | 179.1 | -47.1 | 0 | 0 | 0 | 0 | 112.6 | N337 L339 Q345 | N337-S341 PolarHBondContact O-OG 3.33Å; N337-S341 VanDerWaalsContact O-OG 3.09Å; L339-S341 VanDerWaalsContact C-N 3.33Å; L339-S341 PolarHBondContact O-N 3.05Å; S341-Q345 PolarHBondContact O-N 3.49Å |
| 342 | N | 39.9 | Very low | 40.2 | Very low | 110 Ų | 110 | 111.6 Ų | 111.6 | 59% | 0.588 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -72.1 | -33.2 | 179 | -80.2 | -3 | 0 | 0 | 0 | 112.3 | L339 Q345 A346 | L339-N342 PolarHBondContact O-N 3.42Å; N342-Q345 PolarHBondContact O-N 2.7Å; N342-A346 PolarHBondContact O-N 2.91Å; N342-A346 VanDerWaalsContact O-N 3.16Å |
| 343 | E | 45.7 | Very low | 40.9 | Very low | 123 Ų | 123 | 109.8 Ų | 109.8 | 58% | 0.575 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -71.1 | -34.5 | 175.7 | -75.8 | -174.3 | 128.2 | 0 | 0 | 112.8 | L339 L340 Q345 N347 | L339-E343 PolarHBondContact O-N 3.4Å; L339-E343 VanDerWaalsContact O-N 3.16Å; L340-E343 PolarHBondContact O-N 3.45Å; E343-Q345 VanDerWaalsContact C-N 3.33Å; E343-N347 VanDerWaalsContact O-CG 3.26Å; E343-N347 PolarHBondContact O-N 3.27Å; E343-N347 VanDerWaalsContact O-N 3.15Å; E343-N347 PolarHBondContact O-ND2 3.41Å |
| 344 | Q | 39.2 | Very low | 41.1 | Very low | 134 Ų | 134 | 108.2 Ų | 108.2 | 63% | 0.626 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.7 | -34.7 | 173.3 | -100.7 | 168.1 | -43.6 | 0 | 0 | 112.7 | L340 N348 | L340-Q344 PolarHBondContact O-N 3.07Å; Q344-N348 PolarHBondContact O-N 3.5Å |
| 345 | Q | 34.6 | Very low | 41.8 | Very low | 143 Ų | 143 | 105.7 Ų | 105.7 | 67% | 0.668 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -73.6 | -34.9 | 178.7 | -128.7 | 167.6 | -3 | 0 | 0 | 112.5 | S341 N342 E343 A349 | S341-Q345 PolarHBondContact O-N 3.49Å; N342-Q345 PolarHBondContact O-N 2.7Å; E343-Q345 VanDerWaalsContact C-N 3.33Å; Q345-A349 PolarHBondContact O-N 3.31Å |
| 346 | A | 40.3 | Very low | 42.2 | Very low | 53 Ų | 53 | 106.9 Ų | 106.9 | 44% | 0.438 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.4 | -40 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N342 N348 A349 D350 | N342-A346 PolarHBondContact O-N 2.91Å; N342-A346 VanDerWaalsContact O-N 3.16Å; A346-N348 VanDerWaalsContact C-N 3.33Å; A346-N348 PolarHBondContact O-N 3.34Å; A346-A349 PolarHBondContact O-N 3.23Å; A346-D350 PolarHBondContact O-N 3.26Å |
| 347 | N | 43.7 | Very low | 42.7 | Very low | 88 Ų | 88 | 109.6 Ų | 109.6 | 47% | 0.471 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.1 | -34.4 | 179.2 | -72.4 | -35 | 0 | 0 | 0 | 113 | E343 D351 | E343-N347 VanDerWaalsContact O-CG 3.26Å; E343-N347 PolarHBondContact O-N 3.27Å; E343-N347 VanDerWaalsContact O-N 3.15Å; E343-N347 PolarHBondContact O-ND2 3.41Å; N347-D351 PolarHBondContact O-N 3.07Å |
| 348 | N | 40 | Very low | 43.1 | Very low | 109 Ų | 109 | 109.9 Ų | 109.9 | 58% | 0.583 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -73.5 | -26.5 | 177.7 | -74.5 | -11.2 | 0 | 0 | 0 | 113.3 | Q344 A346 | Q344-N348 PolarHBondContact O-N 3.5Å; A346-N348 VanDerWaalsContact C-N 3.33Å; A346-N348 PolarHBondContact O-N 3.34Å |
| 349 | A | 42.3 | Very low | 43.8 | Very low | 53 Ų | 53 | 106.9 Ų | 106.9 | 44% | 0.438 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -75.8 | -38.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q345 A346 H352 L353 | Q345-A349 PolarHBondContact O-N 3.31Å; A346-A349 PolarHBondContact O-N 3.23Å; A349-H352 PolarHBondContact O-N 3.09Å; A349-L353 PolarHBondContact O-N 3.15Å |
| 350 | D | 49.7 | Very low | 44 | Very low | 95 Ų | 95 | 104.6 Ų | 104.6 | 51% | 0.508 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -70.5 | -36.6 | 179.1 | -80.9 | -10.4 | 0 | 0 | 0 | 112.6 | A346 L353 A354 | A346-D350 PolarHBondContact O-N 3.26Å; D350-L353 PolarHBondContact O-N 3.25Å; D350-A354 PolarHBondContact O-N 3.14Å |
| 351 | D | 47.5 | Very low | 44.4 | Very low | 114 Ų | 114 | 102.4 Ų | 102.4 | 61% | 0.61 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.8 | -36.6 | 176.2 | -86.7 | -13.8 | 0 | 0 | 0 | 111.9 | N347 A354 E355 | N347-D351 PolarHBondContact O-N 3.07Å; D351-A354 PolarHBondContact O-N 3.47Å; D351-E355 PolarHBondContact O-N 3.49Å; D351-E355 VanDerWaalsContact O-N 3.09Å |
| 352 | H | 42.6 | Very low | 44.8 | Very low | 121 Ų | 121 | 105.7 Ų | 105.7 | 56% | 0.56 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -68.5 | -33.7 | 174.7 | -97.2 | -59 | 0 | 0 | 0 | 113.4 | A349 N356 | A349-H352 PolarHBondContact O-N 3.09Å; H352-N356 PolarHBondContact O-N 3.41Å; H352-N356 PolarHBondContact O-ND2 3.18Å |
| 353 | L | 46.9 | Very low | 45.1 | Very low | 111 Ų | 111 | 104.4 Ų | 104.4 | 58% | 0.581 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -70.7 | -37.4 | 175.2 | -83.1 | 160.1 | 0 | 0 | 0 | 111.8 | A349 D350 F357 | A349-L353 PolarHBondContact O-N 3.15Å; D350-L353 PolarHBondContact O-N 3.25Å; L353-F357 PolarHBondContact O-N 3.32Å; L353-F357 VanDerWaalsContact O-N 3.15Å |
| 354 | A | 46.7 | Very low | 45.2 | Very low | 50 Ų | 50 | 105.4 Ų | 105.4 | 41% | 0.413 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68.8 | -40.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D350 D351 F357 L358 | D350-A354 PolarHBondContact O-N 3.14Å; D351-A354 PolarHBondContact O-N 3.47Å; A354-F357 PolarHBondContact O-N 3.38Å; A354-L358 WeakPolarHBondContact O-CD1 3.44Å; A354-L358 PolarHBondContact O-N 3.25Å |
| 355 | E | 49.7 | Very low | 45.5 | Very low | 121 Ų | 121 | 104.3 Ų | 104.3 | 57% | 0.565 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.4 | -38.4 | 175.4 | -84.6 | -167.7 | 149.1 | 0 | 0 | 112.9 | D351 F357 L358 K359 | D351-E355 PolarHBondContact O-N 3.49Å; D351-E355 VanDerWaalsContact O-N 3.09Å; E355-F357 VanDerWaalsContact C-N 3.35Å; E355-L358 PolarHBondContact O-N 3.4Å; E355-K359 PolarHBondContact O-N 3.36Å |
| 356 | N | 46.3 | Very low | 46 | Very low | 100 Ų | 100 | 103.3 Ų | 103.3 | 54% | 0.535 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -69.4 | -33.5 | 178 | -75.1 | -21.4 | 0 | 0 | 0 | 112.3 | H352 S360 | H352-N356 PolarHBondContact O-N 3.41Å; H352-N356 PolarHBondContact O-ND2 3.18Å; N356-S360 PolarHBondContact O-N 3.12Å; N356-S360 VanDerWaalsContact O-N 3.12Å |
| 357 | F | 48.3 | Very low | 46.1 | Very low | 169 Ų | 169 | 106 Ų | 106 | 74% | 0.741 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67.4 | -38.3 | 174.3 | -123.3 | -87.9 | 0 | 0 | 0 | 112.3 | L353 A354 E355 A361 | L353-F357 PolarHBondContact O-N 3.32Å; L353-F357 VanDerWaalsContact O-N 3.15Å; A354-F357 PolarHBondContact O-N 3.38Å; E355-F357 VanDerWaalsContact C-N 3.35Å; F357-A361 PolarHBondContact O-N 3.06Å |
| 358 | L | 47 | Very low | 46.2 | Very low | 119 Ų | 119 | 109.9 Ų | 109.9 | 62% | 0.623 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69 | -40 | 176.1 | -98.8 | 111.6 | 0 | 0 | 0 | 112.6 | A354 E355 S360 A361 E362 | A354-L358 WeakPolarHBondContact O-CD1 3.44Å; A354-L358 PolarHBondContact O-N 3.25Å; E355-L358 PolarHBondContact O-N 3.4Å; L358-S360 VanDerWaalsContact C-N 3.33Å; L358-S360 PolarHBondContact O-N 3.1Å; L358-A361 PolarHBondContact O-N 3.12Å; L358-E362 PolarHBondContact O-N 3.12Å; L358-E362 VanDerWaalsContact O-N 3.14Å |
| 359 | K | 48.8 | Very low | 46.4 | Very low | 145 Ų | 145 | 113.9 Ų | 113.9 | 63% | 0.63 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65.8 | -34.2 | 175.8 | -83.9 | -179.3 | 176.9 | 172.2 | 0 | 113.1 | E355 S363 | E355-K359 PolarHBondContact O-N 3.36Å; K359-S363 PolarHBondContact O-N 3.47Å |
| 360 | S | 44.4 | Very low | 46.6 | Very low | 68 Ų | 68 | 116.2 Ų | 116.2 | 48% | 0.476 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -68 | -37.1 | 175.9 | -161.8 | 0 | 0 | 0 | 0 | 112 | N356 L358 S363 E364 | N356-S360 PolarHBondContact O-N 3.12Å; N356-S360 VanDerWaalsContact O-N 3.12Å; L358-S360 VanDerWaalsContact C-N 3.33Å; L358-S360 PolarHBondContact O-N 3.1Å; S360-S363 PolarHBondContact O-N 3.38Å; S360-E364 PolarHBondContact O-N 3.25Å |
| 361 | A | 48.1 | Very low | 46.2 | Very low | 55 Ų | 55 | 121 Ų | 121 | 46% | 0.455 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -71.6 | -34.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | F357 L358 T365 | F357-A361 PolarHBondContact O-N 3.06Å; L358-A361 PolarHBondContact O-N 3.12Å; A361-T365 PolarHBondContact O-OG1 2.81Å |
| 362 | E | 49.3 | Very low | 45.9 | Very low | 138 Ų | 138 | 125.1 Ų | 125.1 | 65% | 0.645 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -70 | -32.8 | 174.2 | -82.8 | 180 | 156.6 | 0 | 0 | 112.6 | L358 T365 | L358-E362 PolarHBondContact O-N 3.12Å; L358-E362 VanDerWaalsContact O-N 3.14Å; E362-T365 PolarHBondContact O-N 3.46Å |
| 363 | S | 46.2 | Very low | 46.1 | Very low | 84 Ų | 84 | 125.4 Ų | 125.4 | 59% | 0.587 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -73.6 | -27.8 | 179.1 | -166.7 | 0 | 0 | 0 | 0 | 113.8 | K359 S360 | K359-S363 PolarHBondContact O-N 3.47Å; S360-S363 PolarHBondContact O-N 3.38Å |
| 364 | E | 47.6 | Very low | 46.1 | Very low | 143 Ų | 143 | 126.1 Ų | 126.1 | 67% | 0.668 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -80 | -17.8 | 176.4 | -75.1 | -176.1 | 160.4 | 0 | 0 | 113 | S360 | S360-E364 PolarHBondContact O-N 3.25Å |
| 365 | T | 44.8 | Very low | 46 | Very low | 112 Ų | 112 | 130.3 Ų | 130.3 | 69% | 0.687 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -85.4 | -18.9 | -178.3 | -41.3 | 0 | 0 | 0 | 0 | 112.4 | A361 E362 | A361-T365 PolarHBondContact O-OG1 2.81Å; E362-T365 PolarHBondContact O-N 3.46Å |
| 366 | V | 45.4 | Very low | 45.8 | Very low | 122 Ų | 122 | 130.9 Ų | 130.9 | 74% | 0.739 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -90.2 | -14.3 | -176 | 177.3 | 0 | 0 | 0 | 0 | 113.1 | ||
| 367 | T | 43.8 | Very low | 45.8 | Very low | 108 Ų | 108 | 132.8 Ų | 132.8 | 66% | 0.663 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | 4.6 | -176.3 | 41.2 | 0 | 0 | 0 | 0 | 115.4 | ||
| 368 | M | 44.7 | Very low | 45.6 | Very low | 170 Ų | 170 | 130.4 Ų | 130.4 | 84% | 0.837 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.1 | 8.6 | -176.7 | -89.8 | -164.7 | 65.8 | 0 | 0 | 116.2 | ||
| 369 | E | 44.4 | Very low | 45.5 | Very low | 193 Ų | 193 | 131.2 Ų | 131.2 | 90% | 0.902 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -112 | 18.3 | -177.9 | -100.2 | -175 | 174.5 | 0 | 0 | 115.7 | ||
| 370 | S | 46.1 | Very low | 45.3 | Very low | 102 Ų | 102 | 130.2 Ų | 130.2 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -136.3 | 70.4 | 174.5 | 67.9 | 0 | 0 | 0 | 0 | 112.7 | ||
| 371 | E | 42.2 | Very low | 45.3 | Very low | 197 Ų | 197 | 135.3 Ų | 135.3 | 92% | 0.921 | 77% | 0.768 | S | S | * | * | trans | -171.1 | 89.9 | 155.6 | -109.2 | 172.8 | -163.7 | 0 | 0 | 110.1 | ||||
| 372 | S | 41.6 | Very low | 45.1 | Very low | 200 Ų | 200 | 142.6 Ų | 142.6 | 100% | 1.399 | 80% | 0.796 | S | S | * | * | trans | 175.8 | 0 | 143.7 | 63.3 | 0 | 0 | 0 | 0 | 110.9 |
Retrieved 372 of 372 residues in 2503.3 ms
(Link to these results)