| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.6 | Very low | 66.1 | Low | 235 Ų | 235 | 86.8 Ų | 86.8 | 100% | 1.158 | 48% | 0.479 | S | S | * | . | 0 | 118.9 | 0 | -74 | 169.8 | -179.6 | 0 | 0 | 106.9 | K3 | M1-K3 PolarHBondContact O-N 3.1Š| |||
| 2 | S | 33 | Very low | 68.2 | Low | 115 Ų | 115 | 92.3 Ų | 92.3 | 80% | 0.804 | 52% | 0.516 | S | S | * | . | trans | -56.4 | 130.4 | 173.1 | 48.2 | 0 | 0 | 0 | 0 | 107.9 | S4 | S2-S4 PolarHBondContact O-N 2.64Š| ||
| 3 | K | 39.2 | Very low | 70 | Confident | 202 Ų | 202 | 94.2 Ų | 94.2 | 88% | 0.878 | 53% | 0.525 | S | S | * | . | trans | -58.4 | 111.6 | 166.3 | -78.7 | 176.9 | 173.9 | 177.7 | 0 | 105.5 | M1 D5 | M1-K3 PolarHBondContact O-N 3.1Å; K3-D5 PolarHBondContact O-N 2.93Å | ||
| 4 | S | 48.2 | Very low | 71.5 | Confident | 32 Ų | 32 | 91.8 Ų | 91.8 | 22% | 0.224 | 52% | 0.517 | C | S | . | . | trans | -58.5 | 131.1 | 176.5 | 50.2 | 0 | 0 | 0 | 0 | 109.4 | S2 V6 Y232 | S2-S4 PolarHBondContact O-N 2.64Å; S4-V6 PolarHBondContact O-N 3.42Å; S4-Y232 VanDerWaalsContact CB-CE2 3.47Å; S4-Y232 VanDerWaalsContact OG-CE2 3.26Å; S4-Y232 WeakPolarHBondContact OG-CE2 3.44Å | ||
| 5 | D | 62.7 | Low | 72.6 | Confident | 144 Ų | 144 | 98.3 Ų | 98.3 | 77% | 0.77 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -64 | 1 | -177.3 | -68.3 | -42.6 | 0 | 0 | 0 | 114.5 | K3 G7 | K3-D5 PolarHBondContact O-N 2.93Å; D5-G7 PolarHBondContact O-N 2.93Å; D5-G7 VanDerWaalsContact O-N 3.1Å |
| 6 | V | 66.4 | Low | 73.6 | Confident | 5 Ų | 5 | 93.4 Ų | 93.4 | 3% | 0.03 | 51% | 0.512 | C | S | . | . | trans | -77.8 | 97.3 | 165.6 | -171.6 | 0 | 0 | 0 | 0 | 108.7 | S4 T52 S225 I231 Y232 | S4-V6 PolarHBondContact O-N 3.42Å; V6-T52 HydrophobicContact CG1-CG2 3.75Å; V6-S225 VanDerWaalsContact CG2-CA 3.41Å; V6-S225 WeakPolarHBondContact CG2-OG 3.3Å; V6-I231 WeakPolarHBondContact CG2-O 3.33Å; V6-Y232 HydrophobicContact CB-CD2 3.8Å; V6-Y232 HydrophobicContact CB-CG 4.45Å; V6-Y232 HydrophobicContact CG2-CD2 3.69Å; V6-Y232 HydrophobicContact CG2-CG 4.39Å | ||
| 7 | G | 74.6 | Confident | 74.6 | Confident | 48 Ų | 48 | 93 Ų | 93 | 50% | 0.495 | 53% | 0.534 | S | S | . | . | trans | -77.9 | 153.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | D5 W9 | D5-G7 PolarHBondContact O-N 2.93Å; D5-G7 VanDerWaalsContact O-N 3.1Å; G7-W9 PolarHBondContact O-N 2.99Å; G7-W9 VanDerWaalsContact O-N 3.14Å | ||
| 8 | L | 88 | Confident | 75.7 | Confident | 51 Ų | 51 | 89.8 Ų | 89.8 | 27% | 0.267 | 51% | 0.513 | S | S | . | . | trans | -56.8 | 112.4 | 157.2 | -175.4 | 68.6 | 0 | 0 | 0 | 108.3 | C10 K19 M50 T52 F83 | L8-C10 PolarHBondContact O-N 3.15Å; L8-K19 HydrophobicContact CD1-CB 4.41Å; L8-K19 HydrophobicContact CD2-CD 3.86Å; L8-K19 HydrophobicContact CD2-CG 3.99Å; L8-M50 HydrophobicContact CD1-CG 3.84Å; L8-M50 HydrophobicContact CD2-CG 3.5Å; L8-M50 HydrophobicContact CD2-SD 3.46Å; L8-M50 WeakPolarHBondContact CD2-SD 3.03Å; L8-M50 HydrophobicContact CG-CG 3.49Å; L8-M50 VanDerWaalsContact CG-CG 3.49Å; L8-M50 HydrophobicContact CG-SD 4.13Å; L8-T52 WeakPolarHBondContact CA-OG1 3.11Å; L8-F83 HydrophobicContact CD1-CE1 3.63Å; L8-F83 HydrophobicContact CD1-CZ 4.17Å | ||
| 9 | W | 93.7 | Very high | 76.8 | Confident | 64 Ų | 64 | 88.8 Ų | 88.8 | 24% | 0.242 | 50% | 0.503 | C | S | . | . | B | Isolated β-bridge | trans | -65.5 | 135.2 | 172.9 | -173.8 | 83.7 | 0 | 0 | 0 | 108.2 | G7 P11 R45 L49 M50 Y51 | G7-W9 PolarHBondContact O-N 2.99Å; G7-W9 VanDerWaalsContact O-N 3.14Å; W9-P11 HydrophobicContact CH2-CB 3.95Å; W9-P11 HydrophobicContact CZ3-CB 4.36Å; W9-P11 HydrophobicContact CZ3-CG 4.49Å; W9-R45 HydrophobicContact CD2-CG 4.11Å; W9-R45 HydrophobicContact CE3-CG 4.32Å; W9-R45 HydrophobicContact CH2-CB 3.99Å; W9-R45 HydrophobicContact CH2-CG 3.77Å; W9-R45 HydrophobicContact CZ2-CB 4.12Å; W9-R45 HydrophobicContact CZ2-CG 3.54Å; W9-R45 HydrophobicContact CZ3-CB 4.49Å; W9-R45 HydrophobicContact CZ3-CG 4.13Å; W9-L49 WeakPolarHBondContact CZ3-O 3.23Å; W9-M50 CarbonylContact O-C 3.57Å; W9-M50 WeakPolarHBondContact O-CA 3.46Å; W9-Y51 HydrophobicContact CB-CD1 4.43Å; W9-Y51 HydrophobicContact CB-CE1 4.2Å; W9-Y51 HydrophobicContact CD2-CD1 4.47Å; W9-Y51 AromaticContact CD2-CE1 3.83Å; W9-Y51 HydrophobicContact CD2-CE1 3.83Å; W9-Y51 AromaticContact CE3-CD1 3.69Å; W9-Y51 HydrophobicContact CE3-CD1 3.69Å; W9-Y51 AromaticContact CE3-CE1 3.26Å; W9-Y51 HydrophobicContact CE3-CE1 3.26Å; W9-Y51 HydrophobicContact CG-CE1 4.2Å; W9-Y51 HydrophobicContact CZ3-CD1 4.43Å; W9-Y51 AromaticContact CZ3-CE1 3.95Å; W9-Y51 HydrophobicContact CZ3-CE1 3.95Å; W9-Y51 PolarHBondContact N-O 2.71Å; W9-Y51 PolarHBondContact O-N 3.46Å |
| 10 | C | 93.2 | Very high | 77.9 | Confident | 50 Ų | 50 | 84.4 Ų | 84.4 | 34% | 0.338 | 48% | 0.478 | S | S | . | . | trans | -140 | 138.7 | 177.1 | -175 | 0 | 0 | 0 | 0 | 108.4 | L8 M50 | L8-C10 PolarHBondContact O-N 3.15Å; C10-M50 HydrophobicContact CB-CG 4.3Å; C10-M50 HydrophobicContact CB-SD 4.5Å | ||
| 11 | P | 93.2 | Very high | 78.9 | Confident | 9 Ų | 9 | 80.3 Ų | 80.3 | 6% | 0.058 | 46% | 0.455 | C | S | . | . | trans | -61.6 | 150 | 169.1 | 27.6 | -34.8 | 0 | 0 | 0 | 110.5 | W9 C14 P16 Q48 | W9-P11 HydrophobicContact CH2-CB 3.95Å; W9-P11 HydrophobicContact CZ3-CB 4.36Å; W9-P11 HydrophobicContact CZ3-CG 4.49Å; P11-C14 WeakPolarHBondContact CG-SG 3.11Å; P11-P16 HydrophobicContact CG-CG 3.54Å; P11-Q48 HydrophobicContact CB-CB 4.39Å; P11-Q48 HydrophobicContact CG-CB 4.33Å | ||
| 12 | T | 91.5 | Very high | 82 | Confident | 152 Ų | 152 | 69.1 Ų | 69.1 | 93% | 0.933 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -89.4 | -19.3 | -177 | 51.2 | 0 | 0 | 0 | 0 | 113.6 | ||
| 13 | N | 91.8 | Very high | 85.1 | Confident | 118 Ų | 118 | 63.7 Ų | 63.7 | 63% | 0.631 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -99.4 | -9.1 | -174.2 | 61.3 | -12.5 | 0 | 0 | 0 | 113.5 | Q48 | N13-Q48 PolarHBondContact ND2-OE1 3.12Å; N13-Q48 PolarHBondContact OD1-OE1 3.37Å |
| 14 | C | 91.2 | Very high | 87.9 | Confident | 60 Ų | 60 | 54 Ų | 54 | 41% | 0.405 | 32% | 0.32 | S | S | . | . | trans | -152.3 | 165.7 | 179.2 | 63.3 | 0 | 0 | 0 | 0 | 110.8 | P11 | P11-C14 WeakPolarHBondContact CG-SG 3.11Š| ||
| 15 | K | 88 | Confident | 90.3 | Very high | 189 Ų | 189 | 52.9 Ų | 52.9 | 82% | 0.822 | 31% | 0.311 | S | S | * | . | trans | -116 | 104.4 | 175.3 | -173.2 | 176.1 | -179.8 | -177.3 | 0 | 109.2 | ||||
| 16 | P | 89.2 | Confident | 92 | Very high | 21 Ų | 21 | 46.2 Ų | 46.2 | 14% | 0.136 | 28% | 0.275 | C | S | . | . | trans | -61.9 | 147.1 | 177.7 | -24.7 | 37.7 | 0 | 0 | 0 | 111.3 | P11 E18 Q48 M50 | P11-P16 HydrophobicContact CG-CG 3.54Å; P16-E18 VanDerWaalsContact C-N 3.34Å; P16-Q48 WeakPolarHBondContact CG-O 3.15Å; P16-M50 HydrophobicContact CB-CB 3.85Å; P16-M50 HydrophobicContact CB-CE 4.29Å; P16-M50 HydrophobicContact CG-CB 3.84Å; P16-M50 VanDerWaalsContact O-CE 3.27Å; P16-M50 WeakPolarHBondContact O-CE 3.22Å | ||
| 17 | G | 90.3 | Very high | 93.5 | Very high | 86 Ų | 86 | 47.1 Ų | 47.1 | 89% | 0.887 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -77.8 | -15.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 18 | E | 94.3 | Very high | 94.5 | Very high | 35 Ų | 35 | 50.7 Ų | 50.7 | 16% | 0.164 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -135.1 | 149.5 | -177.2 | 50.7 | 171.5 | -179.7 | 0 | 0 | 111 | P16 L20 D84 C85 R103 | P16-E18 VanDerWaalsContact C-N 3.34Å; E18-L20 HydrophobicContact CB-CD1 4.2Å; E18-L20 HydrophobicContact CG-CD1 3.57Å; E18-D84 HydrophobicContact CB-CB 4.23Å; E18-C85 WeakPolarHBondContact OE2-CB 3.07Å; E18-R103 WeakPolarHBondContact OE1-CA 3.48Å; E18-R103 WeakPolarHBondContact OE1-CB 3.37Å; E18-R103 WeakPolarHBondContact OE1-CD 3.18Å; E18-R103 WeakPolarHBondContact OE1-CG 3.09Å; E18-R103 IonicContact OE1-NE 3.6Å |
| 19 | K | 97.2 | Very high | 94.9 | Very high | 71 Ų | 71 | 49.6 Ų | 49.6 | 31% | 0.309 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 125.2 | 171.4 | -59.8 | 174.9 | -170.8 | 160.2 | 0 | 109.5 | L8 M50 A81 Y82 F83 D84 C85 | L8-K19 HydrophobicContact CD1-CB 4.41Å; L8-K19 HydrophobicContact CD2-CD 3.86Å; L8-K19 HydrophobicContact CD2-CG 3.99Å; K19-M50 WeakPolarHBondContact CA-O 3.24Å; K19-M50 HydrophobicContact CG-CE 3.64Å; K19-M50 HydrophobicContact CG-CG 4.21Å; K19-M50 HydrophobicContact CG-SD 3.9Å; K19-A81 HydrophobicContact CD-CB 4.42Å; K19-Y82 WeakPolarHBondContact CD-O 3.41Å; K19-F83 HydrophobicContact CB-CD1 3.82Å; K19-F83 HydrophobicContact CB-CE1 4.37Å; K19-D84 PolarHBondContact N-OD2 3.49Å; K19-D84 PolarHBondContact O-N 3.17Å; K19-C85 PolarHBondContact O-N 3.05Å |
| 20 | L | 98.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 129 | -177.1 | -75.5 | 71.8 | 0 | 0 | 0 | 111.9 | E18 I22 L49 M50 Y51 T52 F83 C85 I87 Y102 | E18-L20 HydrophobicContact CB-CD1 4.2Å; E18-L20 HydrophobicContact CG-CD1 3.57Å; L20-I22 HydrophobicContact CB-CD1 4.12Å; L20-L49 HydrophobicContact CD2-CD1 4.12Å; L20-M50 PolarHBondContact N-O 2.88Å; L20-Y51 CarbonylContact O-C 3.54Å; L20-Y51 WeakPolarHBondContact O-CA 3.13Å; L20-T52 PolarHBondContact O-N 3.26Å; L20-F83 WeakPolarHBondContact O-CD1 3.39Å; L20-F83 VanDerWaalsContact O-CE1 3.23Å; L20-F83 WeakPolarHBondContact O-CE1 3.07Å; L20-C85 WeakPolarHBondContact CA-O 3.42Å; L20-C85 HydrophobicContact CD1-CB 4.38Å; L20-C85 HydrophobicContact CG-CB 4Å; L20-I87 HydrophobicContact CD2-CD1 4.35Å; L20-I87 HydrophobicContact CD2-CG1 4.16Å; L20-Y102 WeakPolarHBondContact CD2-O 3.4Å |
| 21 | A | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 115.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | I23 F54 F83 C85 F86 I87 | A21-I23 HydrophobicContact CB-CD1 3.92Å; A21-I23 HydrophobicContact CB-CG1 4.49Å; A21-F54 HydrophobicContact CB-CD2 3.97Å; A21-F54 HydrophobicContact CB-CE2 3.78Å; A21-F83 HydrophobicContact CB-CB 3.99Å; A21-F83 HydrophobicContact CB-CD1 3.79Å; A21-F83 HydrophobicContact CB-CD2 3.98Å; A21-F83 HydrophobicContact CB-CE1 4.23Å; A21-F83 HydrophobicContact CB-CE2 4.43Å; A21-F83 HydrophobicContact CB-CG 3.65Å; A21-C85 PolarHBondContact N-O 3.25Å; A21-F86 HydrophobicContact CB-CD1 3.73Å; A21-F86 HydrophobicContact CB-CE1 3.7Å; A21-F86 WeakPolarHBondContact O-CA 3.46Å; A21-I87 PolarHBondContact O-N 2.8Å |
| 22 | I | 98.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 108.5 | 172.8 | -58.7 | 74.3 | 0 | 0 | 0 | 106.5 | L20 V24 F36 L44 Y51 T52 I53 F54 I87 H89 | L20-I22 HydrophobicContact CB-CD1 4.12Å; I22-V24 HydrophobicContact CG2-CG2 4.17Å; I22-F36 HydrophobicContact CG2-CZ 4.46Å; I22-L44 HydrophobicContact CD1-CD1 4.08Å; I22-L44 HydrophobicContact CG1-CD1 4.15Å; I22-Y51 HydrophobicContact CD1-CD2 3.85Å; I22-Y51 HydrophobicContact CD1-CG 4.01Å; I22-T52 WeakPolarHBondContact CD1-O 3.46Å; I22-T52 PolarHBondContact N-O 2.98Å; I22-I53 HydrophobicContact CB-CG1 4.19Å; I22-I53 HydrophobicContact CD1-CG1 4.44Å; I22-I53 HydrophobicContact CG1-CG1 4.49Å; I22-F54 PolarHBondContact O-N 2.93Å; I22-I87 CarbonylContact C-O 3.46Å; I22-I87 WeakPolarHBondContact CA-O 3.38Å; I22-I87 HydrophobicContact CG1-CB 4.17Å; I22-I87 HydrophobicContact CG1-CG1 4.3Å; I22-I87 HydrophobicContact CG2-CB 4.45Å; I22-H89 HydrophobicContact CG2-CB 4.06Å |
| 23 | I | 98.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 117.3 | -175.8 | -52.8 | -53.3 | 0 | 0 | 0 | 109.5 | A21 F54 I56 G73 F86 I87 F88 H89 | A21-I23 HydrophobicContact CB-CD1 3.92Å; A21-I23 HydrophobicContact CB-CG1 4.49Å; I23-F54 HydrophobicContact CD1-CB 3.74Å; I23-F54 HydrophobicContact CD1-CD2 3.74Å; I23-F54 HydrophobicContact CD1-CG 3.92Å; I23-I56 HydrophobicContact CG2-CG1 4.02Å; I23-G73 WeakPolarHBondContact CD1-O 3.34Å; I23-F86 HydrophobicContact CD1-CD1 4.47Å; I23-F86 HydrophobicContact CG1-CD1 4.11Å; I23-I87 PolarHBondContact N-O 3.12Å; I23-F88 HydrophobicContact CB-CD1 3.82Å; I23-F88 HydrophobicContact CB-CE1 4.1Å; I23-F88 HydrophobicContact CG1-CD1 4.22Å; I23-F88 HydrophobicContact CG1-CE1 4.02Å; I23-F88 HydrophobicContact CG2-CD1 4.17Å; I23-F88 HydrophobicContact CG2-CE1 4.35Å; I23-H89 PolarHBondContact O-N 3.18Å |
| 24 | V | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 102.3 | -176.6 | -173.4 | 0 | 0 | 0 | 0 | 109.3 | I22 F36 I53 F54 V55 I56 H89 V91 | I22-V24 HydrophobicContact CG2-CG2 4.17Å; V24-F36 HydrophobicContact CG2-CE1 3.67Å; V24-F36 HydrophobicContact CG2-CZ 3.56Å; V24-I53 HydrophobicContact CG2-CG2 4.21Å; V24-F54 PolarHBondContact N-O 2.98Å; V24-V55 HydrophobicContact CB-CG2 4.37Å; V24-I56 PolarHBondContact O-N 2.69Å; V24-H89 HydrophobicContact CG2-CB 4.4Å; V24-V91 HydrophobicContact CG1-CB 3.7Å; V24-V91 HydrophobicContact CG1-CG2 4.03Å |
| 25 | P | 98.7 | Very high | 96.1 | Very high | 7 Ų | 7 | 50.6 Ų | 50.6 | 5% | 0.045 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 134.9 | 171.5 | 29.5 | -33.6 | 0 | 0 | 0 | 109.5 | F64 R66 L69 M70 H89 | P25-F64 HydrophobicContact CB-CZ 4.07Å; P25-R66 HydrophobicContact CB-CG 4.18Å; P25-R66 HydrophobicContact CG-CG 3.73Å; P25-L69 HydrophobicContact CB-CB 3.76Å; P25-L69 HydrophobicContact CB-CD1 3.97Å; P25-M70 HydrophobicContact CG-CE 3.79Å; P25-M70 HydrophobicContact CG-CG 4.19Å; P25-H89 WeakPolarHBondContact CD-O 3.36Å |
| 26 | Y | 98.4 | Very high | 96.6 | Very high | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 143.6 | -165.9 | -177.7 | -90.4 | 0 | 0 | 0 | 113.4 | R29 D30 L33 V55 I56 N57 Q58 V91 W233 | Y26-R29 HydrophobicContact CD2-CB 4.19Å; Y26-R29 HydrophobicContact CE2-CB 3.58Å; Y26-R29 PolarHBondContact OH-N 3.31Å; Y26-R29 VanDerWaalsContact OH-N 3.08Å; Y26-D30 VanDerWaalsContact OH-CA 3.24Å; Y26-D30 WeakPolarHBondContact OH-CA 3.42Å; Y26-D30 PolarHBondContact OH-N 2.89Å; Y26-D30 PolarHBondContact OH-OD1 3.24Å; Y26-L33 HydrophobicContact CD2-CB 4.48Å; Y26-L33 HydrophobicContact CD2-CD2 4.39Å; Y26-L33 HydrophobicContact CE2-CB 3.73Å; Y26-L33 HydrophobicContact CE2-CD2 3.88Å; Y26-L33 HydrophobicContact CE2-CG 4.3Å; Y26-V55 HydrophobicContact CD1-CG1 4.13Å; Y26-V55 HydrophobicContact CD2-CG1 4.19Å; Y26-V55 HydrophobicContact CG-CG1 3.67Å; Y26-I56 PolarHBondContact N-O 3.16Å; Y26-N57 HydrophobicContact CD1-CB 4.07Å; Y26-N57 WeakPolarHBondContact CD1-OD1 3.15Å; Y26-N57 CarbonylContact O-C 3.55Å; Y26-N57 VanDerWaalsContact O-CA 3.31Å; Y26-N57 WeakPolarHBondContact O-CA 3.41Å; Y26-Q58 PolarHBondContact O-N 2.92Å; Y26-V91 HydrophobicContact CD2-CG2 4.31Å; Y26-W233 AromaticContact CD1-CH2 3.6Å; Y26-W233 HydrophobicContact CD1-CH2 3.6Å; Y26-W233 HydrophobicContact CD1-CZ2 4.42Å; Y26-W233 AromaticContact CD1-CZ3 3.94Å; Y26-W233 HydrophobicContact CD1-CZ3 3.94Å; Y26-W233 AromaticContact CE1-CH2 3.33Å; Y26-W233 HydrophobicContact CE1-CH2 3.33Å; Y26-W233 HydrophobicContact CE1-CZ2 4.35Å; Y26-W233 AromaticContact CE1-CZ3 3.82Å; Y26-W233 HydrophobicContact CE1-CZ3 3.82Å |
| 27 | R | 97.4 | Very high | 97 | Very high | 25 Ų | 25 | 40.9 Ų | 40.9 | 9% | 0.094 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -162 | 127.9 | 160.6 | -176.2 | 163.7 | 66.6 | -173.5 | 3.7 | 110 | R29 Q58 T62 F64 R190 | R27-R29 WeakPolarHBondContact O-CG 3.22Å; R27-R29 PolarHBondContact O-N 2.94Å; R27-Q58 WeakPolarHBondContact CD-O 3.26Å; R27-T62 PolarHBondContact NH1-O 2.94Å; R27-T62 PolarHBondContact NH2-O 3.38Å; R27-T62 VanDerWaalsContact NH2-O 3.15Å; R27-F64 HydrophobicContact CB-CD2 3.99Å; R27-F64 HydrophobicContact CB-CE2 3.78Å; R27-F64 VanDerWaalsContact NH2-N 3.11Å; R27-R190 VanDerWaalsContact NH2-CB 3.28Å; R27-R190 PolarHBondContact NH2-O 3.38Å |
| 28 | N | 95.1 | Very high | 97.3 | Very high | 123 Ų | 123 | 43.4 Ų | 43.4 | 66% | 0.658 | 21% | 0.207 | S | C | * | . | S | Bend | trans | 50.2 | 45.2 | 170.3 | -60.9 | -17.4 | 0 | 0 | 0 | 115.8 | ||
| 29 | R | 95.5 | Very high | 97.5 | Very high | 27 Ų | 27 | 44.4 Ų | 44.4 | 10% | 0.102 | 21% | 0.212 | C | C | . | . | trans | -125.9 | 45.7 | -179.5 | -72.1 | -68.9 | -161 | 89.6 | 12.5 | 111.6 | Y26 R27 V31 H32 L33 V91 D92 H185 D188 | Y26-R29 HydrophobicContact CD2-CB 4.19Å; Y26-R29 HydrophobicContact CE2-CB 3.58Å; Y26-R29 PolarHBondContact OH-N 3.31Å; Y26-R29 VanDerWaalsContact OH-N 3.08Å; R27-R29 WeakPolarHBondContact O-CG 3.22Å; R27-R29 PolarHBondContact O-N 2.94Å; R29-V31 VanDerWaalsContact C-N 3.32Å; R29-V31 PolarHBondContact O-N 2.91Å; R29-H32 HydrophobicContact CB-CB 4.19Å; R29-H32 WeakPolarHBondContact O-CB 3.47Å; R29-H32 PolarHBondContact O-N 3.33Å; R29-H32 VanDerWaalsContact O-N 3.14Å; R29-L33 PolarHBondContact O-N 3.34Å; R29-V91 HydrophobicContact CB-CG1 4.1Å; R29-V91 HydrophobicContact CG-CG1 4.33Å; R29-D92 IonicContact CZ-OD2 3.47Å; R29-D92 IonicContact NH1-OD2 2.68Å; R29-D92 PolarHBondContact NH1-OD2 2.95Å; R29-D92 IonicContact NH2-OD2 3.52Å; R29-H185 PolarHBondContact NH1-CD2 3.4Å; R29-H185 VanDerWaalsContact NH1-CD2 3.29Å; R29-H185 PolarHBondContact NH2-CE1 3.44Å; R29-H185 PolarHBondContact NH2-ND1 3.42Å; R29-H185 VanDerWaalsContact NH2-ND1 3.15Å; R29-H185 PolarHBondContact NH2-NE2 3.09Å; R29-D188 IonicContact CZ-OD1 3.94Å; R29-D188 IonicContact CZ-OD2 3.87Å; R29-D188 IonicContact NE-OD1 3.69Å; R29-D188 PolarHBondContact NE-OD1 3.45Å; R29-D188 IonicContact NE-OD2 2.81Å; R29-D188 PolarHBondContact NE-OD2 2.96Å; R29-D188 IonicContact NH2-OD1 2.86Å; R29-D188 PolarHBondContact NH2-OD1 3.06Å; R29-D188 IonicContact NH2-OD2 3.85Å; R29-D188 PolarHBondContact NH2-OD2 2.84Å | ||
| 30 | D | 95 | Very high | 97.5 | Very high | 90 Ų | 90 | 41 Ų | 41 | 48% | 0.481 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.6 | -37.8 | -166.1 | -64.1 | -58.4 | 0 | 0 | 0 | 113.5 | Y26 R34 | Y26-D30 VanDerWaalsContact OH-CA 3.24Å; Y26-D30 WeakPolarHBondContact OH-CA 3.42Å; Y26-D30 PolarHBondContact OH-N 2.89Å; Y26-D30 PolarHBondContact OH-OD1 3.24Å; D30-R34 VanDerWaalsContact O-CG 3.31Å; D30-R34 WeakPolarHBondContact O-CG 3.35Å; D30-R34 PolarHBondContact O-N 2.99Å; D30-R34 VanDerWaalsContact O-N 3.11Å |
| 31 | V | 95.6 | Very high | 97.5 | Very high | 105 Ų | 105 | 41.6 Ų | 41.6 | 64% | 0.636 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -65.2 | -48.5 | 177 | 177.5 | 0 | 0 | 0 | 0 | 110.3 | R29 L33 R34 L35 | R29-V31 VanDerWaalsContact C-N 3.32Å; R29-V31 PolarHBondContact O-N 2.91Å; V31-L33 VanDerWaalsContact C-N 3.35Å; V31-L33 PolarHBondContact O-N 3.34Å; V31-R34 PolarHBondContact O-N 3.4Å; V31-L35 HydrophobicContact CG1-CD1 4.43Å; V31-L35 WeakPolarHBondContact O-CG 3.4Å; V31-L35 PolarHBondContact O-N 2.94Å |
| 32 | H | 97.9 | Very high | 97.4 | Very high | 25 Ų | 25 | 46.1 Ų | 46.1 | 12% | 0.116 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.9 | -46.3 | 176.1 | -62.6 | 77.4 | 0 | 0 | 0 | 111.3 | R29 R34 L35 F36 V91 L183 | R29-H32 HydrophobicContact CB-CB 4.19Å; R29-H32 WeakPolarHBondContact O-CB 3.47Å; R29-H32 PolarHBondContact O-N 3.33Å; R29-H32 VanDerWaalsContact O-N 3.14Å; H32-R34 VanDerWaalsContact C-N 3.31Å; H32-R34 PolarHBondContact O-N 3.29Å; H32-L35 PolarHBondContact O-N 3.06Å; H32-L35 VanDerWaalsContact O-N 3.17Å; H32-F36 VanDerWaalsContact O-CB 3.24Å; H32-F36 WeakPolarHBondContact O-CB 3.19Å; H32-F36 PolarHBondContact O-N 2.79Å; H32-V91 HydrophobicContact CB-CG1 4.25Å; H32-V91 HydrophobicContact CB-CG2 4.37Å; H32-L183 HydrophobicContact CB-CD1 4.29Å; H32-L183 VanDerWaalsContact CD2-CB 3.42Å; H32-L183 WeakPolarHBondContact CD2-CB 3.29Å; H32-L183 PolarHBondContact NE2-O 2.8Å |
| 33 | L | 97.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.7 | -39.9 | -179.1 | -178.9 | 61.5 | 0 | 0 | 0 | 112.2 | Y26 R29 V31 F36 V37 V55 V91 Y227 I231 W233 | Y26-L33 HydrophobicContact CD2-CB 4.48Å; Y26-L33 HydrophobicContact CD2-CD2 4.39Å; Y26-L33 HydrophobicContact CE2-CB 3.73Å; Y26-L33 HydrophobicContact CE2-CD2 3.88Å; Y26-L33 HydrophobicContact CE2-CG 4.3Å; R29-L33 PolarHBondContact O-N 3.34Å; V31-L33 VanDerWaalsContact C-N 3.35Å; V31-L33 PolarHBondContact O-N 3.34Å; L33-F36 HydrophobicContact CD1-CD1 4.32Å; L33-F36 PolarHBondContact O-N 3.33Å; L33-V37 HydrophobicContact CD1-CG2 3.81Å; L33-V37 HydrophobicContact CG-CG2 4.19Å; L33-V37 WeakPolarHBondContact O-CB 3.43Å; L33-V37 VanDerWaalsContact O-CG2 3.22Å; L33-V37 WeakPolarHBondContact O-CG2 3.23Å; L33-V37 PolarHBondContact O-N 3.19Å; L33-V55 HydrophobicContact CD1-CG2 3.83Å; L33-V55 HydrophobicContact CD2-CG1 4.4Å; L33-V91 HydrophobicContact CB-CG2 4.13Å; L33-V91 HydrophobicContact CD1-CG2 4.06Å; L33-Y227 HydrophobicContact CD2-CE2 4.25Å; L33-I231 HydrophobicContact CD2-CD1 4.3Å; L33-W233 HydrophobicContact CD2-CE3 4.39Å; L33-W233 HydrophobicContact CD2-CZ3 3.69Å |
| 34 | R | 96.9 | Very high | 97.3 | Very high | 167 Ų | 167 | 46.1 Ų | 46.1 | 63% | 0.63 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -63.7 | -42.8 | 177 | -71.6 | 172.8 | -174 | -143.8 | 3.9 | 112.2 | D30 V31 H32 K38 Y227 | D30-R34 VanDerWaalsContact O-CG 3.31Å; D30-R34 WeakPolarHBondContact O-CG 3.35Å; D30-R34 PolarHBondContact O-N 2.99Å; D30-R34 VanDerWaalsContact O-N 3.11Å; V31-R34 PolarHBondContact O-N 3.4Å; H32-R34 VanDerWaalsContact C-N 3.31Å; H32-R34 PolarHBondContact O-N 3.29Å; R34-K38 PolarHBondContact O-N 2.77Å; R34-Y227 HydrophobicContact CG-CE1 4.18Å |
| 35 | L | 97.6 | Very high | 97.1 | Very high | 87 Ų | 87 | 50.9 Ų | 50.9 | 46% | 0.455 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.9 | -45.1 | 176.4 | -65.6 | 175.2 | 0 | 0 | 0 | 110.9 | V31 H32 K38 H39 L183 | V31-L35 HydrophobicContact CG1-CD1 4.43Å; V31-L35 WeakPolarHBondContact O-CG 3.4Å; V31-L35 PolarHBondContact O-N 2.94Å; H32-L35 PolarHBondContact O-N 3.06Å; H32-L35 VanDerWaalsContact O-N 3.17Å; L35-K38 PolarHBondContact O-N 2.7Å; L35-H39 WeakPolarHBondContact O-CB 3.4Å; L35-H39 PolarHBondContact O-N 3.42Å; L35-L183 HydrophobicContact CB-CD1 3.93Å; L35-L183 HydrophobicContact CD1-CD1 3.98Å; L35-L183 HydrophobicContact CD1-CD2 4.09Å |
| 36 | F | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56.4 | -54.8 | 176.4 | 177.5 | -90.8 | 0 | 0 | 0 | 112.2 | I22 V24 H32 L33 K38 H39 M40 I53 H89 V91 L94 | I22-F36 HydrophobicContact CG2-CZ 4.46Å; V24-F36 HydrophobicContact CG2-CE1 3.67Å; V24-F36 HydrophobicContact CG2-CZ 3.56Å; H32-F36 VanDerWaalsContact O-CB 3.24Å; H32-F36 WeakPolarHBondContact O-CB 3.19Å; H32-F36 PolarHBondContact O-N 2.79Å; L33-F36 HydrophobicContact CD1-CD1 4.32Å; L33-F36 PolarHBondContact O-N 3.33Å; F36-K38 VanDerWaalsContact C-N 3.31Å; F36-K38 PolarHBondContact O-N 3.14Å; F36-H39 PolarHBondContact O-N 3.14Å; F36-M40 HydrophobicContact CD1-CG 4.16Å; F36-M40 HydrophobicContact CD2-CG 3.72Å; F36-M40 HydrophobicContact CE1-CB 4.36Å; F36-M40 HydrophobicContact CE1-CG 3.9Å; F36-M40 HydrophobicContact CE2-CG 3.44Å; F36-M40 VanDerWaalsContact CE2-CG 3.44Å; F36-M40 HydrophobicContact CE2-SD 4.22Å; F36-M40 HydrophobicContact CG-CG 4.07Å; F36-M40 HydrophobicContact CZ-CB 4.38Å; F36-M40 HydrophobicContact CZ-CG 3.55Å; F36-M40 VanDerWaalsContact O-CB 3.28Å; F36-M40 WeakPolarHBondContact O-CB 3.4Å; F36-M40 VanDerWaalsContact O-CG 3.3Å; F36-M40 WeakPolarHBondContact O-CG 3.46Å; F36-M40 PolarHBondContact O-N 3.2Å; F36-I53 HydrophobicContact CE1-CD1 4.5Å; F36-I53 HydrophobicContact CE1-CG2 4.01Å; F36-H89 AromaticContact CE2-CE1 3.61Å; F36-H89 AromaticContact CE2-CG 3.91Å; F36-H89 AromaticContact CE2-ND1 3.47Å; F36-H89 WeakPolarHBondContact CE2-ND1 3.26Å; F36-V91 HydrophobicContact CB-CG2 4.08Å; F36-V91 WeakPolarHBondContact CD2-O 3.36Å; F36-V91 HydrophobicContact CG-CG2 4.16Å; F36-L94 HydrophobicContact CB-CD2 4.44Å; F36-L94 HydrophobicContact CD2-CD2 4.19Å |
| 37 | V | 97.4 | Very high | 96.9 | Very high | 6 Ų | 6 | 56.9 Ų | 56.9 | 4% | 0.036 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.1 | -45.7 | -177.3 | 169.7 | 0 | 0 | 0 | 0 | 110.6 | L33 H41 L230 I231 | L33-V37 HydrophobicContact CD1-CG2 3.81Å; L33-V37 HydrophobicContact CG-CG2 4.19Å; L33-V37 WeakPolarHBondContact O-CB 3.43Å; L33-V37 VanDerWaalsContact O-CG2 3.22Å; L33-V37 WeakPolarHBondContact O-CG2 3.23Å; L33-V37 PolarHBondContact O-N 3.19Å; V37-H41 WeakPolarHBondContact O-CB 3.46Å; V37-H41 PolarHBondContact O-CD2 2.92Å; V37-H41 PolarHBondContact O-N 2.84Å; V37-H41 VanDerWaalsContact O-N 3.17Å; V37-L230 HydrophobicContact CG1-CB 4.08Å; V37-L230 HydrophobicContact CG1-CD1 4.07Å; V37-I231 HydrophobicContact CG1-CG2 4.22Å; V37-I231 HydrophobicContact CG2-CG2 3.53Å |
| 38 | K | 97 | Very high | 96.8 | Very high | 139 Ų | 139 | 58.8 Ų | 58.8 | 60% | 0.604 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -59.9 | -55.1 | 177.4 | -179.4 | -179.3 | 175 | -173.9 | 0 | 111.2 | R34 L35 F36 E42 | R34-K38 PolarHBondContact O-N 2.77Å; L35-K38 PolarHBondContact O-N 2.7Å; F36-K38 VanDerWaalsContact C-N 3.31Å; F36-K38 PolarHBondContact O-N 3.14Å; K38-E42 WeakPolarHBondContact CE-OE1 3.06Å; K38-E42 WeakPolarHBondContact O-CG 3.47Å; K38-E42 PolarHBondContact O-N 3.12Å |
| 39 | H | 98.3 | Very high | 96.8 | Very high | 55 Ų | 55 | 53 Ų | 53 | 26% | 0.255 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.8 | -48.9 | -175.1 | -173.1 | 89 | 0 | 0 | 0 | 111.9 | L35 F36 H41 E42 F43 L94 P95 | L35-H39 WeakPolarHBondContact O-CB 3.4Å; L35-H39 PolarHBondContact O-N 3.42Å; F36-H39 PolarHBondContact O-N 3.14Å; H39-H41 PolarHBondContact O-N 2.77Å; H39-E42 PolarHBondContact O-N 2.97Å; H39-F43 VanDerWaalsContact O-CB 3.31Å; H39-F43 WeakPolarHBondContact O-CB 3.47Å; H39-F43 PolarHBondContact O-N 3.16Å; H39-L94 HydrophobicContact CB-CD1 4.32Å; H39-L94 HydrophobicContact CB-CD2 3.95Å; H39-P95 PolarHBondContact CE1-O 3.46Å; H39-P95 PolarHBondContact NE2-O 2.84Å |
| 40 | M | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.3 | -37.8 | -175.1 | -69 | -50.3 | -60.2 | 0 | 0 | 112.6 | F36 F43 L44 I53 P95 Y102 | F36-M40 HydrophobicContact CD1-CG 4.16Å; F36-M40 HydrophobicContact CD2-CG 3.72Å; F36-M40 HydrophobicContact CE1-CB 4.36Å; F36-M40 HydrophobicContact CE1-CG 3.9Å; F36-M40 HydrophobicContact CE2-CG 3.44Å; F36-M40 VanDerWaalsContact CE2-CG 3.44Å; F36-M40 HydrophobicContact CE2-SD 4.22Å; F36-M40 HydrophobicContact CG-CG 4.07Å; F36-M40 HydrophobicContact CZ-CB 4.38Å; F36-M40 HydrophobicContact CZ-CG 3.55Å; F36-M40 VanDerWaalsContact O-CB 3.28Å; F36-M40 WeakPolarHBondContact O-CB 3.4Å; F36-M40 VanDerWaalsContact O-CG 3.3Å; F36-M40 WeakPolarHBondContact O-CG 3.46Å; F36-M40 PolarHBondContact O-N 3.2Å; M40-F43 HydrophobicContact CE-CD1 4.07Å; M40-F43 PolarHBondContact O-N 3.41Å; M40-L44 HydrophobicContact CB-CD1 4.42Å; M40-L44 HydrophobicContact CE-CD1 4.23Å; M40-L44 HydrophobicContact CE-CD2 4.31Å; M40-L44 HydrophobicContact CE-CG 4.15Å; M40-L44 VanDerWaalsContact O-CB 3.28Å; M40-L44 WeakPolarHBondContact O-CB 3.16Å; M40-L44 WeakPolarHBondContact O-CD1 3.27Å; M40-L44 WeakPolarHBondContact O-CG 2.88Å; M40-L44 PolarHBondContact O-N 2.91Å; M40-I53 HydrophobicContact CB-CD1 4.1Å; M40-P95 HydrophobicContact CE-CG 4.33Å; M40-P95 VanDerWaalsContact SD-CD 3.51Å; M40-P95 HydrophobicContact SD-CG 3.91Å; M40-Y102 HydrophobicContact CE-CD1 4.08Å; M40-Y102 HydrophobicContact CE-CE1 3.3Å |
| 41 | H | 96.9 | Very high | 96.9 | Very high | 13 Ų | 13 | 48.5 Ų | 48.5 | 6% | 0.06 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.1 | -43.3 | 175 | -81.4 | -61.3 | 0 | 0 | 0 | 112.2 | V37 H39 R45 Y51 L230 | V37-H41 WeakPolarHBondContact O-CB 3.46Å; V37-H41 PolarHBondContact O-CD2 2.92Å; V37-H41 PolarHBondContact O-N 2.84Å; V37-H41 VanDerWaalsContact O-N 3.17Å; H39-H41 PolarHBondContact O-N 2.77Å; H41-R45 WeakPolarHBondContact O-CB 3.46Å; H41-R45 WeakPolarHBondContact O-CD 3.29Å; H41-R45 WeakPolarHBondContact O-CG 3.46Å; H41-R45 PolarHBondContact O-N 2.97Å; H41-R45 VanDerWaalsContact O-N 3.08Å; H41-Y51 AromaticContact CE1-CE2 3.71Å; H41-Y51 AromaticContact ND1-CE2 3.5Å; H41-Y51 WeakPolarHBondContact ND1-CE2 3.19Å; H41-Y51 AromaticContact ND1-CZ 3.57Å; H41-Y51 PolarHBondContact ND1-OH 3.46Å; H41-L230 PolarHBondContact CE1-O 3.15Å; H41-L230 VanDerWaalsContact NE2-CB 3.33Å; H41-L230 WeakPolarHBondContact NE2-CB 3.07Å; H41-L230 PolarHBondContact NE2-O 2.72Å |
| 42 | E | 97.1 | Very high | 97 | Very high | 95 Ų | 95 | 43.6 Ų | 43.6 | 44% | 0.444 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.1 | -46.9 | 176.8 | -68.6 | 178.5 | -170.1 | 0 | 0 | 110.8 | K38 H39 R46 | K38-E42 WeakPolarHBondContact CE-OE1 3.06Å; K38-E42 WeakPolarHBondContact O-CG 3.47Å; K38-E42 PolarHBondContact O-N 3.12Å; H39-E42 PolarHBondContact O-N 2.97Å; E42-R46 WeakPolarHBondContact O-CG 3.46Å; E42-R46 PolarHBondContact O-N 3.31Å; E42-R46 PolarHBondContact O-NH1 3.45Å |
| 43 | F | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.7 | -57.2 | 177.9 | 178.3 | -95.1 | 0 | 0 | 0 | 113.2 | H39 M40 R45 R46 Q47 P95 D97 D98 N100 Y102 | H39-F43 VanDerWaalsContact O-CB 3.31Å; H39-F43 WeakPolarHBondContact O-CB 3.47Å; H39-F43 PolarHBondContact O-N 3.16Å; M40-F43 HydrophobicContact CE-CD1 4.07Å; M40-F43 PolarHBondContact O-N 3.41Å; F43-R45 VanDerWaalsContact C-N 3.28Å; F43-R45 PolarHBondContact O-N 2.71Å; F43-R46 PolarHBondContact O-N 2.95Å; F43-R46 VanDerWaalsContact O-N 3.14Å; F43-Q47 VanDerWaalsContact CE1-NE2 3.35Å; F43-Q47 PolarHBondContact O-N 2.89Å; F43-P95 HydrophobicContact CD1-CG 3.88Å; F43-P95 HydrophobicContact CD2-CB 4.29Å; F43-P95 HydrophobicContact CD2-CG 3.78Å; F43-P95 HydrophobicContact CE1-CB 4.32Å; F43-P95 HydrophobicContact CE1-CG 3.78Å; F43-P95 HydrophobicContact CE2-CB 3.71Å; F43-P95 HydrophobicContact CE2-CG 3.64Å; F43-P95 HydrophobicContact CG-CG 3.88Å; F43-P95 HydrophobicContact CZ-CB 3.71Å; F43-P95 HydrophobicContact CZ-CG 3.62Å; F43-D97 WeakPolarHBondContact CE2-O 3.49Å; F43-D98 WeakPolarHBondContact CD2-OD1 2.99Å; F43-N100 WeakPolarHBondContact CZ-O 3.3Å; F43-Y102 AromaticContact CE1-CD2 3.46Å; F43-Y102 HydrophobicContact CE1-CD2 3.46Å; F43-Y102 VanDerWaalsContact CE1-CD2 3.46Å; F43-Y102 AromaticContact CE1-CE2 3.49Å; F43-Y102 HydrophobicContact CE1-CE2 3.49Å; F43-Y102 VanDerWaalsContact CE1-CE2 3.49Å; F43-Y102 AromaticContact CE1-CG 3.99Å; F43-Y102 HydrophobicContact CE1-CG 3.99Å; F43-Y102 AromaticContact CZ-CD2 3.96Å; F43-Y102 HydrophobicContact CZ-CD2 3.96Å; F43-Y102 AromaticContact CZ-CE2 3.85Å; F43-Y102 HydrophobicContact CZ-CE2 3.85Å |
| 44 | L | 97 | Very high | 97.1 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.2 | -31.7 | -176.4 | -64.7 | 168.9 | 0 | 0 | 0 | 112.2 | I22 M40 Q47 Q48 L49 Y51 I53 Y102 | I22-L44 HydrophobicContact CD1-CD1 4.08Å; I22-L44 HydrophobicContact CG1-CD1 4.15Å; M40-L44 HydrophobicContact CB-CD1 4.42Å; M40-L44 HydrophobicContact CE-CD1 4.23Å; M40-L44 HydrophobicContact CE-CD2 4.31Å; M40-L44 HydrophobicContact CE-CG 4.15Å; M40-L44 VanDerWaalsContact O-CB 3.28Å; M40-L44 WeakPolarHBondContact O-CB 3.16Å; M40-L44 WeakPolarHBondContact O-CD1 3.27Å; M40-L44 WeakPolarHBondContact O-CG 2.88Å; M40-L44 PolarHBondContact O-N 2.91Å; L44-Q47 PolarHBondContact O-N 3.19Å; L44-Q48 PolarHBondContact O-N 3.11Å; L44-L49 HydrophobicContact CD2-CD1 3.7Å; L44-L49 PolarHBondContact O-N 3.02Å; L44-Y51 HydrophobicContact CB-CD1 3.89Å; L44-Y51 HydrophobicContact CB-CE1 3.38Å; L44-Y51 HydrophobicContact CB-CE2 4.22Å; L44-Y51 HydrophobicContact CB-CG 4.48Å; L44-Y51 HydrophobicContact CD1-CD1 4.34Å; L44-Y51 HydrophobicContact CD1-CD2 3.72Å; L44-Y51 HydrophobicContact CD1-CE1 4.23Å; L44-Y51 HydrophobicContact CD1-CE2 3.6Å; L44-Y51 HydrophobicContact CD1-CG 4.11Å; L44-Y51 HydrophobicContact CG-CE1 4.42Å; L44-I53 HydrophobicContact CD1-CD1 4.32Å; L44-I53 HydrophobicContact CD1-CG1 4.5Å; L44-Y102 HydrophobicContact CD2-CD1 3.65Å; L44-Y102 HydrophobicContact CD2-CE1 4.43Å; L44-Y102 HydrophobicContact CD2-CG 3.91Å |
| 45 | R | 95.5 | Very high | 97.2 | Very high | 99 Ų | 99 | 34.4 Ų | 34.4 | 37% | 0.374 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -67.7 | -40.3 | 175.2 | -73.2 | 175.8 | 179.4 | 174.4 | 3.9 | 111.7 | W9 H41 F43 Q47 Q48 | W9-R45 HydrophobicContact CD2-CG 4.11Å; W9-R45 HydrophobicContact CE3-CG 4.32Å; W9-R45 HydrophobicContact CH2-CB 3.99Å; W9-R45 HydrophobicContact CH2-CG 3.77Å; W9-R45 HydrophobicContact CZ2-CB 4.12Å; W9-R45 HydrophobicContact CZ2-CG 3.54Å; W9-R45 HydrophobicContact CZ3-CB 4.49Å; W9-R45 HydrophobicContact CZ3-CG 4.13Å; H41-R45 WeakPolarHBondContact O-CB 3.46Å; H41-R45 WeakPolarHBondContact O-CD 3.29Å; H41-R45 WeakPolarHBondContact O-CG 3.46Å; H41-R45 PolarHBondContact O-N 2.97Å; H41-R45 VanDerWaalsContact O-N 3.08Å; F43-R45 VanDerWaalsContact C-N 3.28Å; F43-R45 PolarHBondContact O-N 2.71Å; R45-Q47 PolarHBondContact O-N 3.13Å; R45-Q48 PolarHBondContact O-N 2.86Å; R45-Q48 PolarHBondContact O-NE2 3.21Å |
| 46 | R | 96.2 | Very high | 97.2 | Very high | 124 Ų | 124 | 30.2 Ų | 30.2 | 47% | 0.468 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -63.2 | -30 | 174.8 | -70.8 | -173.4 | -55.5 | -97.9 | 1.6 | 112.1 | E42 F43 Q48 D98 | E42-R46 WeakPolarHBondContact O-CG 3.46Å; E42-R46 PolarHBondContact O-N 3.31Å; E42-R46 PolarHBondContact O-NH1 3.45Å; F43-R46 PolarHBondContact O-N 2.95Å; F43-R46 VanDerWaalsContact O-N 3.14Å; R46-Q48 VanDerWaalsContact C-N 3.26Å; R46-Q48 PolarHBondContact O-N 3.24Å; R46-D98 WeakPolarHBondContact CD-OD2 3.4Å; R46-D98 IonicContact CZ-OD1 3.33Å; R46-D98 IonicContact CZ-OD2 3.84Å; R46-D98 IonicContact NE-OD1 2.87Å; R46-D98 PolarHBondContact NE-OD1 2.92Å; R46-D98 IonicContact NE-OD2 2.94Å; R46-D98 PolarHBondContact NE-OD2 3.17Å; R46-D98 IonicContact NH2-OD1 3.72Å; R46-D98 PolarHBondContact NH2-OD1 2.83Å; R46-D98 IonicContact NH2-OD2 3.88Å |
| 47 | Q | 96 | Very high | 97.2 | Very high | 13 Ų | 13 | 30.7 Ų | 30.7 | 6% | 0.061 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -2.2 | 173 | -63.9 | -174.2 | -9.5 | 0 | 0 | 114.6 | F43 L44 R45 L49 D98 N100 I101 | F43-Q47 VanDerWaalsContact CE1-NE2 3.35Å; F43-Q47 PolarHBondContact O-N 2.89Å; L44-Q47 PolarHBondContact O-N 3.19Å; R45-Q47 PolarHBondContact O-N 3.13Å; Q47-L49 VanDerWaalsContact C-N 3.27Å; Q47-L49 HydrophobicContact CB-CD1 3.79Å; Q47-L49 HydrophobicContact CB-CD2 4.5Å; Q47-L49 HydrophobicContact CB-CG 3.76Å; Q47-L49 PolarHBondContact O-N 3.27Å; Q47-L49 VanDerWaalsContact OE1-CD1 3.3Å; Q47-D98 PolarHBondContact NE2-O 2.79Å; Q47-N100 PolarHBondContact NE2-O 3Å; Q47-I101 HydrophobicContact CG-CD1 4.2Å |
| 48 | Q | 95.1 | Very high | 97.3 | Very high | 66 Ų | 66 | 30.5 Ų | 30.5 | 31% | 0.308 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 42.3 | 178.4 | -55.3 | -74.1 | -88 | 0 | 0 | 112.5 | P11 N13 P16 L44 R45 R46 | P11-Q48 HydrophobicContact CB-CB 4.39Å; P11-Q48 HydrophobicContact CG-CB 4.33Å; N13-Q48 PolarHBondContact ND2-OE1 3.12Å; N13-Q48 PolarHBondContact OD1-OE1 3.37Å; P16-Q48 WeakPolarHBondContact CG-O 3.15Å; L44-Q48 PolarHBondContact O-N 3.11Å; R45-Q48 PolarHBondContact O-N 2.86Å; R45-Q48 PolarHBondContact O-NE2 3.21Å; R46-Q48 VanDerWaalsContact C-N 3.26Å; R46-Q48 PolarHBondContact O-N 3.24Å |
| 49 | L | 95.1 | Very high | 97.3 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | trans | -88.1 | 157.3 | -177.8 | -62.2 | 170.4 | 0 | 0 | 0 | 111.9 | W9 L20 L44 Q47 Y51 Y102 R103 | W9-L49 WeakPolarHBondContact CZ3-O 3.23Å; L20-L49 HydrophobicContact CD2-CD1 4.12Å; L44-L49 HydrophobicContact CD2-CD1 3.7Å; L44-L49 PolarHBondContact O-N 3.02Å; Q47-L49 VanDerWaalsContact C-N 3.27Å; Q47-L49 HydrophobicContact CB-CD1 3.79Å; Q47-L49 HydrophobicContact CB-CD2 4.5Å; Q47-L49 HydrophobicContact CB-CG 3.76Å; Q47-L49 PolarHBondContact O-N 3.27Å; Q47-L49 VanDerWaalsContact OE1-CD1 3.3Å; L49-Y51 HydrophobicContact CB-CD1 4.11Å; L49-Y102 WeakPolarHBondContact CD1-O 3.2Å; L49-R103 HydrophobicContact CD2-CG 3.73Å | ||
| 50 | M | 96.1 | Very high | 97.1 | Very high | 20 Ų | 20 | 26.9 Ų | 26.9 | 10% | 0.099 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 115.5 | 169.7 | 176.2 | 171 | 35.9 | 0 | 0 | 108.5 | L8 W9 C10 P16 K19 L20 | L8-M50 HydrophobicContact CD1-CG 3.84Å; L8-M50 HydrophobicContact CD2-CG 3.5Å; L8-M50 HydrophobicContact CD2-SD 3.46Å; L8-M50 WeakPolarHBondContact CD2-SD 3.03Å; L8-M50 HydrophobicContact CG-CG 3.49Å; L8-M50 VanDerWaalsContact CG-CG 3.49Å; L8-M50 HydrophobicContact CG-SD 4.13Å; W9-M50 CarbonylContact O-C 3.57Å; W9-M50 WeakPolarHBondContact O-CA 3.46Å; C10-M50 HydrophobicContact CB-CG 4.3Å; C10-M50 HydrophobicContact CB-SD 4.5Å; P16-M50 HydrophobicContact CB-CB 3.85Å; P16-M50 HydrophobicContact CB-CE 4.29Å; P16-M50 HydrophobicContact CG-CB 3.84Å; P16-M50 VanDerWaalsContact O-CE 3.27Å; P16-M50 WeakPolarHBondContact O-CE 3.22Å; K19-M50 WeakPolarHBondContact CA-O 3.24Å; K19-M50 HydrophobicContact CG-CE 3.64Å; K19-M50 HydrophobicContact CG-CG 4.21Å; K19-M50 HydrophobicContact CG-SD 3.9Å; L20-M50 PolarHBondContact N-O 2.88Å |
| 51 | Y | 97.5 | Very high | 96.9 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.008 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 161 | -166.2 | 72.9 | -91.4 | 0 | 0 | 0 | 116 | W9 L20 I22 H41 L44 L49 I53 | W9-Y51 HydrophobicContact CB-CD1 4.43Å; W9-Y51 HydrophobicContact CB-CE1 4.2Å; W9-Y51 HydrophobicContact CD2-CD1 4.47Å; W9-Y51 AromaticContact CD2-CE1 3.83Å; W9-Y51 HydrophobicContact CD2-CE1 3.83Å; W9-Y51 AromaticContact CE3-CD1 3.69Å; W9-Y51 HydrophobicContact CE3-CD1 3.69Å; W9-Y51 AromaticContact CE3-CE1 3.26Å; W9-Y51 HydrophobicContact CE3-CE1 3.26Å; W9-Y51 HydrophobicContact CG-CE1 4.2Å; W9-Y51 HydrophobicContact CZ3-CD1 4.43Å; W9-Y51 AromaticContact CZ3-CE1 3.95Å; W9-Y51 HydrophobicContact CZ3-CE1 3.95Å; W9-Y51 PolarHBondContact N-O 2.71Å; W9-Y51 PolarHBondContact O-N 3.46Å; L20-Y51 CarbonylContact O-C 3.54Å; L20-Y51 WeakPolarHBondContact O-CA 3.13Å; I22-Y51 HydrophobicContact CD1-CD2 3.85Å; I22-Y51 HydrophobicContact CD1-CG 4.01Å; H41-Y51 AromaticContact CE1-CE2 3.71Å; H41-Y51 AromaticContact ND1-CE2 3.5Å; H41-Y51 WeakPolarHBondContact ND1-CE2 3.19Å; H41-Y51 AromaticContact ND1-CZ 3.57Å; H41-Y51 PolarHBondContact ND1-OH 3.46Å; L44-Y51 HydrophobicContact CB-CD1 3.89Å; L44-Y51 HydrophobicContact CB-CE1 3.38Å; L44-Y51 HydrophobicContact CB-CE2 4.22Å; L44-Y51 HydrophobicContact CB-CG 4.48Å; L44-Y51 HydrophobicContact CD1-CD1 4.34Å; L44-Y51 HydrophobicContact CD1-CD2 3.72Å; L44-Y51 HydrophobicContact CD1-CE1 4.23Å; L44-Y51 HydrophobicContact CD1-CE2 3.6Å; L44-Y51 HydrophobicContact CD1-CG 4.11Å; L44-Y51 HydrophobicContact CG-CE1 4.42Å; L49-Y51 HydrophobicContact CB-CD1 4.11Å; Y51-I53 HydrophobicContact CD2-CG1 4.06Å; Y51-I53 HydrophobicContact CE2-CD1 4.22Å; Y51-I53 HydrophobicContact CE2-CG1 4.02Å |
| 52 | T | 97.8 | Very high | 96.9 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.012 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 136.5 | 166 | -61.1 | 0 | 0 | 0 | 0 | 109.3 | V6 L8 L20 I22 F54 V80 | V6-T52 HydrophobicContact CG1-CG2 3.75Å; L8-T52 WeakPolarHBondContact CA-OG1 3.11Å; L20-T52 PolarHBondContact O-N 3.26Å; I22-T52 WeakPolarHBondContact CD1-O 3.46Å; I22-T52 PolarHBondContact N-O 2.98Å; T52-F54 HydrophobicContact CG2-CD2 4.05Å; T52-F54 HydrophobicContact CG2-CE1 4.1Å; T52-F54 HydrophobicContact CG2-CE2 3.55Å; T52-F54 HydrophobicContact CG2-CZ 3.56Å; T52-V80 HydrophobicContact CG2-CG1 4.47Å |
| 53 | I | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 119.7 | 172.5 | -58.6 | -179.8 | 0 | 0 | 0 | 108.5 | I22 V24 F36 M40 L44 Y51 V55 I231 Y232 | I22-I53 HydrophobicContact CB-CG1 4.19Å; I22-I53 HydrophobicContact CD1-CG1 4.44Å; I22-I53 HydrophobicContact CG1-CG1 4.49Å; V24-I53 HydrophobicContact CG2-CG2 4.21Å; F36-I53 HydrophobicContact CE1-CD1 4.5Å; F36-I53 HydrophobicContact CE1-CG2 4.01Å; M40-I53 HydrophobicContact CB-CD1 4.1Å; L44-I53 HydrophobicContact CD1-CD1 4.32Å; L44-I53 HydrophobicContact CD1-CG1 4.5Å; Y51-I53 HydrophobicContact CD2-CG1 4.06Å; Y51-I53 HydrophobicContact CE2-CD1 4.22Å; Y51-I53 HydrophobicContact CE2-CG1 4.02Å; I53-V55 HydrophobicContact CG2-CG2 4.45Å; I53-I231 HydrophobicContact CB-CG2 4.12Å; I53-I231 HydrophobicContact CG2-CG2 3.92Å; I53-I231 WeakPolarHBondContact O-CA 3.19Å; I53-Y232 PolarHBondContact O-N 3.45Å |
| 54 | F | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 123.4 | 175.9 | -64.4 | -90.3 | 0 | 0 | 0 | 109.6 | A21 I22 I23 V24 T52 I56 V80 F83 Y232 I234 | A21-F54 HydrophobicContact CB-CD2 3.97Å; A21-F54 HydrophobicContact CB-CE2 3.78Å; I22-F54 PolarHBondContact O-N 2.93Å; I23-F54 HydrophobicContact CD1-CB 3.74Å; I23-F54 HydrophobicContact CD1-CD2 3.74Å; I23-F54 HydrophobicContact CD1-CG 3.92Å; V24-F54 PolarHBondContact N-O 2.98Å; T52-F54 HydrophobicContact CG2-CD2 4.05Å; T52-F54 HydrophobicContact CG2-CE1 4.1Å; T52-F54 HydrophobicContact CG2-CE2 3.55Å; T52-F54 HydrophobicContact CG2-CZ 3.56Å; F54-I56 HydrophobicContact CB-CD1 4.17Å; F54-V80 HydrophobicContact CE1-CB 4.28Å; F54-V80 HydrophobicContact CE1-CG2 3.66Å; F54-V80 HydrophobicContact CZ-CB 3.93Å; F54-V80 HydrophobicContact CZ-CG2 3.79Å; F54-F83 HydrophobicContact CE2-CD2 4.43Å; F54-F83 HydrophobicContact CE2-CE1 4.31Å; F54-F83 AromaticContact CE2-CE2 3.69Å; F54-F83 HydrophobicContact CE2-CE2 3.69Å; F54-F83 AromaticContact CE2-CZ 3.62Å; F54-F83 HydrophobicContact CE2-CZ 3.62Å; F54-F83 AromaticContact CZ-CE2 3.53Å; F54-F83 HydrophobicContact CZ-CE2 3.53Å; F54-F83 AromaticContact CZ-CZ 3.68Å; F54-F83 HydrophobicContact CZ-CZ 3.68Å; F54-Y232 CarbonylContact C-O 3.55Å; F54-Y232 WeakPolarHBondContact CA-O 3.46Å; F54-Y232 AromaticContact CD1-CD1 3.77Å; F54-Y232 HydrophobicContact CD1-CD1 3.77Å; F54-Y232 HydrophobicContact CD1-CG 4.27Å; F54-Y232 AromaticContact CE1-CD1 3.75Å; F54-Y232 HydrophobicContact CE1-CD1 3.75Å; F54-Y232 HydrophobicContact CE1-CG 4.19Å; F54-I234 HydrophobicContact CD1-CD1 4.37Å |
| 55 | V | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 115.9 | 173 | -179.5 | 0 | 0 | 0 | 0 | 108.2 | V24 Y26 L33 I53 I231 Y232 W233 I234 | V24-V55 HydrophobicContact CB-CG2 4.37Å; Y26-V55 HydrophobicContact CD1-CG1 4.13Å; Y26-V55 HydrophobicContact CD2-CG1 4.19Å; Y26-V55 HydrophobicContact CG-CG1 3.67Å; L33-V55 HydrophobicContact CD1-CG2 3.83Å; L33-V55 HydrophobicContact CD2-CG1 4.4Å; I53-V55 HydrophobicContact CG2-CG2 4.45Å; V55-I231 HydrophobicContact CB-CD1 4.37Å; V55-I231 HydrophobicContact CG2-CB 4.28Å; V55-I231 HydrophobicContact CG2-CD1 3.79Å; V55-I231 HydrophobicContact CG2-CG2 4.44Å; V55-Y232 PolarHBondContact N-O 3.01Å; V55-W233 HydrophobicContact CB-CE3 3.95Å; V55-W233 HydrophobicContact CB-CZ3 4.47Å; V55-W233 HydrophobicContact CG1-CE3 3.63Å; V55-W233 HydrophobicContact CG1-CZ3 3.69Å; V55-I234 PolarHBondContact O-N 2.87Å |
| 56 | I | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 96.6 | -176.5 | -47.1 | -56.6 | 0 | 0 | 0 | 107.9 | I23 V24 Y26 F54 L69 V72 I234 V236 | I23-I56 HydrophobicContact CG2-CG1 4.02Å; V24-I56 PolarHBondContact O-N 2.69Å; Y26-I56 PolarHBondContact N-O 3.16Å; F54-I56 HydrophobicContact CB-CD1 4.17Å; I56-L69 HydrophobicContact CB-CB 4.31Å; I56-L69 HydrophobicContact CG2-CB 3.98Å; I56-L69 HydrophobicContact CG2-CD2 3.85Å; I56-L69 HydrophobicContact CG2-CG 4.48Å; I56-V72 HydrophobicContact CG2-CB 4.05Å; I56-V72 HydrophobicContact CG2-CG1 3.66Å; I56-I234 CarbonylContact C-O 3.58Å; I56-I234 WeakPolarHBondContact CA-O 3.39Å; I56-I234 HydrophobicContact CD1-CB 4.04Å; I56-I234 HydrophobicContact CD1-CD1 3.97Å; I56-I234 HydrophobicContact CD1-CG1 4.17Å; I56-V236 HydrophobicContact CG2-CG2 4.23Å |
| 57 | N | 98.6 | Very high | 97.2 | Very high | 10 Ų | 10 | 25.6 Ų | 25.6 | 5% | 0.053 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 121.1 | -175.4 | 177.3 | 59.2 | 0 | 0 | 0 | 111.2 | Y26 E59 W233 I234 S235 V236 | Y26-N57 HydrophobicContact CD1-CB 4.07Å; Y26-N57 WeakPolarHBondContact CD1-OD1 3.15Å; Y26-N57 CarbonylContact O-C 3.55Å; Y26-N57 VanDerWaalsContact O-CA 3.31Å; Y26-N57 WeakPolarHBondContact O-CA 3.41Å; N57-E59 PolarHBondContact ND2-OE1 3.43Å; N57-E59 PolarHBondContact O-N 3Å; N57-W233 HydrophobicContact CB-CD2 4.41Å; N57-W233 HydrophobicContact CB-CH2 3.96Å; N57-W233 HydrophobicContact CB-CZ2 3.34Å; N57-I234 PolarHBondContact N-O 3.36Å; N57-S235 PolarHBondContact ND2-OG 3.05Å; N57-S235 CarbonylContact O-C 3.52Å; N57-S235 WeakPolarHBondContact O-CA 3.22Å; N57-V236 PolarHBondContact O-N 2.89Å |
| 58 | Q | 98.6 | Very high | 97.3 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.009 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 110.1 | 172.6 | -171.1 | 176.8 | -24.6 | 0 | 0 | 110.4 | Y26 R27 T62 K63 F64 L69 V238 | Y26-Q58 PolarHBondContact O-N 2.92Å; R27-Q58 WeakPolarHBondContact CD-O 3.26Å; Q58-T62 PolarHBondContact NE2-OG1 3.2Å; Q58-T62 VanDerWaalsContact NE2-OG1 3.07Å; Q58-K63 PolarHBondContact NE2-O 2.77Å; Q58-F64 HydrophobicContact CB-CD2 4.35Å; Q58-F64 HydrophobicContact CB-CE2 4.28Å; Q58-L69 HydrophobicContact CB-CD1 3.82Å; Q58-L69 HydrophobicContact CB-CD2 3.83Å; Q58-L69 HydrophobicContact CB-CG 4.39Å; Q58-L69 HydrophobicContact CG-CD2 4.35Å; Q58-V238 HydrophobicContact CG-CG2 3.79Å |
| 59 | E | 97.7 | Very high | 97.5 | Very high | 72 Ų | 72 | 22 Ų | 22 | 34% | 0.336 | 12% | 0.124 | S | C | . | . | trans | -77.3 | 160 | 173.5 | -65.4 | -71.7 | 176.5 | 0 | 0 | 111.6 | N57 I221 S235 V236 T237 | N57-E59 PolarHBondContact ND2-OE1 3.43Å; N57-E59 PolarHBondContact O-N 3Å; E59-I221 HydrophobicContact CB-CD1 3.73Å; E59-I221 HydrophobicContact CG-CD1 3.68Å; E59-S235 VanDerWaalsContact OE1-CB 3.26Å; E59-S235 WeakPolarHBondContact OE1-CB 3.26Å; E59-S235 PolarHBondContact OE1-OG 2.95Å; E59-V236 WeakPolarHBondContact CB-O 3.23Å; E59-V236 PolarHBondContact N-O 2.93Å; E59-T237 HydrophobicContact CB-CG2 4.16Å | ||
| 60 | G | 94.2 | Very high | 97.7 | Very high | 46 Ų | 46 | 21.9 Ų | 21.9 | 47% | 0.474 | 12% | 0.123 | S | C | . | . | S | Bend | trans | 85.2 | -159.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 61 | T | 93.7 | Very high | 97.8 | Very high | 98 Ų | 98 | 21 Ų | 21 | 60% | 0.601 | 12% | 0.119 | S | C | * | . | S | Bend | trans | -122.6 | 5.3 | -164.8 | 64 | 0 | 0 | 0 | 0 | 115.1 | R190 | T61-R190 VanDerWaalsContact CA-NH1 3.26Å; T61-R190 VanDerWaalsContact O-CD 3.23Å; T61-R190 WeakPolarHBondContact O-CD 3.15Å; T61-R190 PolarHBondContact O-NE 3.31Å |
| 62 | T | 95.4 | Very high | 97.9 | Very high | 60 Ų | 60 | 20.9 Ų | 20.9 | 37% | 0.368 | 12% | 0.118 | S | C | . | . | S | Bend | trans | -67.2 | 163.6 | 175.3 | 54.1 | 0 | 0 | 0 | 0 | 111.3 | R27 Q58 | R27-T62 PolarHBondContact NH1-O 2.94Å; R27-T62 PolarHBondContact NH2-O 3.38Å; R27-T62 VanDerWaalsContact NH2-O 3.15Å; Q58-T62 PolarHBondContact NE2-OG1 3.2Å; Q58-T62 VanDerWaalsContact NE2-OG1 3.07Å |
| 63 | K | 97.3 | Very high | 97.9 | Very high | 92 Ų | 92 | 20.8 Ų | 20.8 | 40% | 0.4 | 12% | 0.118 | S | C | . | . | P | Polyproline II helix | trans | -58.3 | 144.2 | 171.2 | -76.7 | -175.7 | 176.3 | 179.8 | 0 | 110.4 | Q58 Y150 R190 | Q58-K63 PolarHBondContact NE2-O 2.77Å; K63-Y150 HydrophobicContact CB-CD1 4.44Å; K63-R190 CarbonylContact C-O 3.6Å; K63-R190 WeakPolarHBondContact CA-O 3.41Å |
| 64 | F | 98.2 | Very high | 98 | Very high | 22 Ų | 22 | 21.1 Ų | 21.1 | 10% | 0.096 | 12% | 0.119 | C | C | . | . | P | Polyproline II helix | trans | -62.9 | 137.9 | 179 | -165.7 | -117 | 0 | 0 | 0 | 109.4 | P25 R27 Q58 R66 L69 G151 R190 N191 | P25-F64 HydrophobicContact CB-CZ 4.07Å; R27-F64 HydrophobicContact CB-CD2 3.99Å; R27-F64 HydrophobicContact CB-CE2 3.78Å; R27-F64 VanDerWaalsContact NH2-N 3.11Å; Q58-F64 HydrophobicContact CB-CD2 4.35Å; Q58-F64 HydrophobicContact CB-CE2 4.28Å; F64-R66 HydrophobicContact CD1-CB 4.15Å; F64-R66 HydrophobicContact CE1-CB 3.82Å; F64-R66 HydrophobicContact CE1-CG 4.36Å; F64-L69 HydrophobicContact CD2-CD1 4.09Å; F64-L69 HydrophobicContact CE1-CD1 4.38Å; F64-L69 HydrophobicContact CE2-CD1 3.31Å; F64-L69 HydrophobicContact CZ-CD1 3.5Å; F64-G151 PolarHBondContact O-N 2.85Å; F64-R190 PolarHBondContact N-O 2.89Å; F64-N191 HydrophobicContact CB-CB 4.17Å |
| 65 | N | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | -127.5 | 84.8 | 176.2 | -170.1 | -29.3 | 0 | 0 | 0 | 109.5 | A67 L68 L69 N147 Y149 Y150 | N65-A67 VanDerWaalsContact C-N 3.34Å; N65-A67 PolarHBondContact O-N 3.3Å; N65-L68 HydrophobicContact CB-CB 4.02Å; N65-L68 PolarHBondContact O-N 3.37Å; N65-L68 WeakPolarHBondContact OD1-CB 3.28Å; N65-L68 PolarHBondContact OD1-N 3.43Å; N65-L69 VanDerWaalsContact O-CG 3.28Å; N65-L69 WeakPolarHBondContact O-CG 3.28Å; N65-L69 PolarHBondContact O-N 3.29Å; N65-L69 VanDerWaalsContact O-N 3.11Å; N65-N147 PolarHBondContact ND2-O 2.89Å; N65-Y149 PolarHBondContact OD1-O 3.46Å; N65-Y150 HydrophobicContact CB-CD1 3.92Å; N65-Y150 HydrophobicContact CB-CE1 4Å; N65-Y150 HydrophobicContact CB-CG 4.41Å; N65-Y150 VanDerWaalsContact ND2-CE2 3.3Å; N65-Y150 WeakPolarHBondContact ND2-CE2 3.43Å | ||
| 66 | R | 98.6 | Very high | 98 | Very high | 31 Ų | 31 | 24.7 Ų | 24.7 | 12% | 0.117 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -55.5 | -48.1 | -175.1 | -178.3 | 175.4 | 167.1 | -88 | -0.4 | 112 | P25 F64 L69 M70 D90 G130 E155 | P25-R66 HydrophobicContact CB-CG 4.18Å; P25-R66 HydrophobicContact CG-CG 3.73Å; F64-R66 HydrophobicContact CD1-CB 4.15Å; F64-R66 HydrophobicContact CE1-CB 3.82Å; F64-R66 HydrophobicContact CE1-CG 4.36Å; R66-L69 PolarHBondContact O-N 2.94Å; R66-M70 HydrophobicContact CG-CE 4.1Å; R66-M70 WeakPolarHBondContact O-CG 2.91Å; R66-M70 PolarHBondContact O-N 3.47Å; R66-D90 IonicContact CZ-OD1 3.5Å; R66-D90 IonicContact NE-OD1 3.33Å; R66-D90 PolarHBondContact NE-OD1 3.08Å; R66-D90 IonicContact NE-OD2 2.77Å; R66-D90 IonicContact NH2-OD1 3.57Å; R66-D90 PolarHBondContact NH2-OD1 3.28Å; R66-D90 IonicContact NH2-OD2 2.7Å; R66-G130 PolarHBondContact NH2-O 3.38Å; R66-E155 WeakPolarHBondContact CD-OE1 3.42Å; R66-E155 IonicContact CZ-OE1 3.67Å; R66-E155 IonicContact NE-OE1 3.93Å; R66-E155 IonicContact NH1-OE1 2.78Å; R66-E155 PolarHBondContact NH1-OE1 2.77Å |
| 67 | A | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.5 | -43.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | N65 L69 M70 N71 F145 S146 E155 | N65-A67 VanDerWaalsContact C-N 3.34Å; N65-A67 PolarHBondContact O-N 3.3Å; A67-L69 VanDerWaalsContact C-N 3.32Å; A67-L69 PolarHBondContact O-N 3.23Å; A67-M70 WeakPolarHBondContact O-CB 3.36Å; A67-M70 PolarHBondContact O-N 2.94Å; A67-N71 PolarHBondContact O-N 3.01Å; A67-F145 HydrophobicContact CB-CB 3.68Å; A67-F145 HydrophobicContact CB-CD1 4.47Å; A67-F145 HydrophobicContact CB-CG 4.27Å; A67-S146 WeakPolarHBondContact CB-O 3.49Å; A67-E155 HydrophobicContact CB-CB 3.81Å; A67-E155 HydrophobicContact CB-CG 3.84Å |
| 68 | L | 98.8 | Very high | 97.8 | Very high | 3 Ų | 3 | 31.2 Ų | 31.2 | 2% | 0.016 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.3 | -42.6 | 175.4 | -175.8 | 163.4 | 0 | 0 | 0 | 110.7 | N65 M70 N71 V72 N147 V238 | N65-L68 HydrophobicContact CB-CB 4.02Å; N65-L68 PolarHBondContact O-N 3.37Å; N65-L68 WeakPolarHBondContact OD1-CB 3.28Å; N65-L68 PolarHBondContact OD1-N 3.43Å; L68-M70 VanDerWaalsContact C-N 3.27Å; L68-M70 PolarHBondContact O-N 3.44Å; L68-N71 WeakPolarHBondContact O-CB 3.31Å; L68-N71 PolarHBondContact O-N 3.46Å; L68-N71 VanDerWaalsContact O-N 3.16Å; L68-V72 HydrophobicContact CD2-CG2 3.75Å; L68-V72 WeakPolarHBondContact O-CG2 3.11Å; L68-V72 PolarHBondContact O-N 3.23Å; L68-N147 HydrophobicContact CB-CB 4.42Å; L68-N147 HydrophobicContact CD1-CB 4.19Å; L68-N147 HydrophobicContact CG-CB 4.41Å; L68-V238 HydrophobicContact CD1-CB 4.14Å; L68-V238 HydrophobicContact CD2-CB 3.81Å; L68-V238 HydrophobicContact CD2-CG1 3.36Å |
| 69 | L | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.6 | -32.2 | 177.2 | -61.6 | 169.9 | 0 | 0 | 0 | 112.5 | P25 I56 Q58 F64 N65 R66 A67 V72 G73 V236 V238 | P25-L69 HydrophobicContact CB-CB 3.76Å; P25-L69 HydrophobicContact CB-CD1 3.97Å; I56-L69 HydrophobicContact CB-CB 4.31Å; I56-L69 HydrophobicContact CG2-CB 3.98Å; I56-L69 HydrophobicContact CG2-CD2 3.85Å; I56-L69 HydrophobicContact CG2-CG 4.48Å; Q58-L69 HydrophobicContact CB-CD1 3.82Å; Q58-L69 HydrophobicContact CB-CD2 3.83Å; Q58-L69 HydrophobicContact CB-CG 4.39Å; Q58-L69 HydrophobicContact CG-CD2 4.35Å; F64-L69 HydrophobicContact CD2-CD1 4.09Å; F64-L69 HydrophobicContact CE1-CD1 4.38Å; F64-L69 HydrophobicContact CE2-CD1 3.31Å; F64-L69 HydrophobicContact CZ-CD1 3.5Å; N65-L69 VanDerWaalsContact O-CG 3.28Å; N65-L69 WeakPolarHBondContact O-CG 3.28Å; N65-L69 PolarHBondContact O-N 3.29Å; N65-L69 VanDerWaalsContact O-N 3.11Å; R66-L69 PolarHBondContact O-N 2.94Å; A67-L69 VanDerWaalsContact C-N 3.32Å; A67-L69 PolarHBondContact O-N 3.23Å; L69-V72 PolarHBondContact O-N 3.4Å; L69-G73 PolarHBondContact O-N 3.28Å; L69-V236 HydrophobicContact CD2-CG2 3.68Å; L69-V238 HydrophobicContact CD2-CG1 4.29Å |
| 70 | M | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.7 | -43.3 | 172.2 | -71.3 | 179.1 | 168.6 | 0 | 0 | 111.9 | P25 R66 A67 L68 G73 F74 F88 F145 | P25-M70 HydrophobicContact CG-CE 3.79Å; P25-M70 HydrophobicContact CG-CG 4.19Å; R66-M70 HydrophobicContact CG-CE 4.1Å; R66-M70 WeakPolarHBondContact O-CG 2.91Å; R66-M70 PolarHBondContact O-N 3.47Å; A67-M70 WeakPolarHBondContact O-CB 3.36Å; A67-M70 PolarHBondContact O-N 2.94Å; L68-M70 VanDerWaalsContact C-N 3.27Å; L68-M70 PolarHBondContact O-N 3.44Å; M70-G73 PolarHBondContact O-N 3.05Å; M70-F74 PolarHBondContact O-N 3.45Å; M70-F88 HydrophobicContact CB-CD1 3.62Å; M70-F88 HydrophobicContact CB-CE1 3.89Å; M70-F88 HydrophobicContact CE-CB 3.75Å; M70-F88 HydrophobicContact CG-CB 4.43Å; M70-F88 HydrophobicContact CG-CD1 3.74Å; M70-F88 HydrophobicContact CG-CE1 4.49Å; M70-F88 HydrophobicContact CG-CG 4.42Å; M70-F88 HydrophobicContact SD-CB 3.82Å; M70-F88 HydrophobicContact SD-CD1 4.03Å; M70-F88 HydrophobicContact SD-CG 4.13Å; M70-F145 HydrophobicContact CB-CD2 3.63Å; M70-F145 HydrophobicContact CB-CE2 3.58Å; M70-F145 HydrophobicContact CB-CG 4.5Å; M70-F145 HydrophobicContact CB-CZ 4.44Å; M70-F145 HydrophobicContact CG-CE2 4.2Å; M70-F145 HydrophobicContact SD-CD2 4.22Å; M70-F145 HydrophobicContact SD-CE1 4Å; M70-F145 HydrophobicContact SD-CE2 3.62Å; M70-F145 HydrophobicContact SD-CZ 3.5Å; M70-F145 WeakPolarHBondContact SD-CZ 3.35Å |
| 71 | N | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.5 | -45.4 | 172.5 | -74.1 | -21.4 | 0 | 0 | 0 | 111.9 | A67 L68 G73 F74 I75 F139 F145 N147 S216 | A67-N71 PolarHBondContact O-N 3.01Å; L68-N71 WeakPolarHBondContact O-CB 3.31Å; L68-N71 PolarHBondContact O-N 3.46Å; L68-N71 VanDerWaalsContact O-N 3.16Å; N71-G73 VanDerWaalsContact C-N 3.31Å; N71-G73 PolarHBondContact O-N 2.8Å; N71-F74 WeakPolarHBondContact O-CB 3.38Å; N71-F74 PolarHBondContact O-N 2.97Å; N71-I75 WeakPolarHBondContact O-CG1 3.34Å; N71-I75 PolarHBondContact O-N 3.33Å; N71-F139 WeakPolarHBondContact OD1-CZ 3.06Å; N71-F145 PolarHBondContact ND2-O 2.87Å; N71-F145 PolarHBondContact OD1-N 2.72Å; N71-N147 PolarHBondContact ND2-OD1 3.16Å; N71-S216 VanDerWaalsContact CB-OG 3.29Å; N71-S216 WeakPolarHBondContact CB-OG 3.41Å |
| 72 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.1 | -46.4 | 174.5 | 169.6 | 0 | 0 | 0 | 0 | 110.3 | I56 L68 L69 F74 I75 E76 Y218 V236 | I56-V72 HydrophobicContact CG2-CB 4.05Å; I56-V72 HydrophobicContact CG2-CG1 3.66Å; L68-V72 HydrophobicContact CD2-CG2 3.75Å; L68-V72 WeakPolarHBondContact O-CG2 3.11Å; L68-V72 PolarHBondContact O-N 3.23Å; L69-V72 PolarHBondContact O-N 3.4Å; V72-F74 VanDerWaalsContact C-N 3.33Å; V72-F74 PolarHBondContact O-N 3.11Å; V72-I75 PolarHBondContact O-N 2.82Å; V72-E76 HydrophobicContact CG1-CG 3.83Å; V72-E76 VanDerWaalsContact O-CB 3.25Å; V72-E76 WeakPolarHBondContact O-CB 3.01Å; V72-E76 VanDerWaalsContact O-CG 3.23Å; V72-E76 WeakPolarHBondContact O-CG 3.19Å; V72-E76 PolarHBondContact O-N 3.14Å; V72-Y218 HydrophobicContact CG1-CD2 4.02Å; V72-Y218 HydrophobicContact CG1-CE2 3.87Å; V72-Y218 HydrophobicContact CG2-CD1 3.53Å; V72-Y218 HydrophobicContact CG2-CD2 3.9Å; V72-Y218 HydrophobicContact CG2-CE1 3.81Å; V72-Y218 HydrophobicContact CG2-CE2 4.16Å; V72-Y218 HydrophobicContact CG2-CG 3.57Å; V72-V236 HydrophobicContact CG1-CG1 3.86Å; V72-V236 HydrophobicContact CG1-CG2 4.39Å |
| 73 | G | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.3 | -38.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | I23 L69 M70 N71 S77 | I23-G73 WeakPolarHBondContact CD1-O 3.34Å; L69-G73 PolarHBondContact O-N 3.28Å; M70-G73 PolarHBondContact O-N 3.05Å; N71-G73 VanDerWaalsContact C-N 3.31Å; N71-G73 PolarHBondContact O-N 2.8Å; G73-S77 WeakPolarHBondContact O-CB 3.46Å; G73-S77 PolarHBondContact O-N 2.88Å |
| 74 | F | 98.9 | Very high | 97.8 | Very high | 7 Ų | 7 | 30.5 Ų | 30.5 | 3% | 0.031 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58 | -49.6 | 172.3 | 170.6 | -96.4 | 0 | 0 | 0 | 111.6 | M70 N71 V72 S77 F86 R136 F139 E140 Y213 | M70-F74 PolarHBondContact O-N 3.45Å; N71-F74 WeakPolarHBondContact O-CB 3.38Å; N71-F74 PolarHBondContact O-N 2.97Å; V72-F74 VanDerWaalsContact C-N 3.33Å; V72-F74 PolarHBondContact O-N 3.11Å; F74-S77 PolarHBondContact O-OG 3.2Å; F74-F86 HydrophobicContact CB-CD1 4.48Å; F74-F86 HydrophobicContact CB-CE1 4.31Å; F74-F86 AromaticContact CD2-CD1 3.82Å; F74-F86 HydrophobicContact CD2-CD1 3.82Å; F74-F86 AromaticContact CD2-CD2 3.87Å; F74-F86 HydrophobicContact CD2-CD2 3.87Å; F74-F86 AromaticContact CD2-CE1 3.49Å; F74-F86 HydrophobicContact CD2-CE1 3.49Å; F74-F86 VanDerWaalsContact CD2-CE1 3.49Å; F74-F86 AromaticContact CD2-CE2 3.55Å; F74-F86 HydrophobicContact CD2-CE2 3.55Å; F74-F86 HydrophobicContact CD2-CG 4Å; F74-F86 AromaticContact CD2-CZ 3.34Å; F74-F86 HydrophobicContact CD2-CZ 3.34Å; F74-F86 HydrophobicContact CE2-CD2 4.01Å; F74-F86 HydrophobicContact CE2-CE1 4.2Å; F74-F86 AromaticContact CE2-CE2 3.45Å; F74-F86 HydrophobicContact CE2-CE2 3.45Å; F74-F86 VanDerWaalsContact CE2-CE2 3.45Å; F74-F86 AromaticContact CE2-CZ 3.56Å; F74-F86 HydrophobicContact CE2-CZ 3.56Å; F74-F86 HydrophobicContact CG-CE1 4.26Å; F74-F86 HydrophobicContact CG-CZ 4.37Å; F74-R136 HydrophobicContact CE2-CG 4.3Å; F74-R136 HydrophobicContact CZ-CG 4.46Å; F74-R136 VanDerWaalsContact CZ-NH1 3.29Å; F74-F139 HydrophobicContact CB-CD1 4.31Å; F74-F139 HydrophobicContact CB-CE1 3.67Å; F74-F139 HydrophobicContact CB-CZ 4.09Å; F74-F139 AromaticContact CD1-CD1 3.83Å; F74-F139 HydrophobicContact CD1-CD1 3.83Å; F74-F139 AromaticContact CD1-CE1 3.57Å; F74-F139 HydrophobicContact CD1-CE1 3.57Å; F74-F139 AromaticContact CD2-CD1 3.41Å; F74-F139 HydrophobicContact CD2-CD1 3.41Å; F74-F139 VanDerWaalsContact CD2-CD1 3.41Å; F74-F139 AromaticContact CD2-CE1 3.69Å; F74-F139 HydrophobicContact CD2-CE1 3.69Å; F74-F139 HydrophobicContact CD2-CG 4.11Å; F74-F139 AromaticContact CE1-CD1 3.95Å; F74-F139 HydrophobicContact CE1-CD1 3.95Å; F74-F139 HydrophobicContact CE1-CE1 4.11Å; F74-F139 HydrophobicContact CE2-CB 4.35Å; F74-F139 AromaticContact CE2-CD1 3.54Å; F74-F139 HydrophobicContact CE2-CD1 3.54Å; F74-F139 HydrophobicContact CE2-CE1 4.22Å; F74-F139 HydrophobicContact CE2-CG 4.22Å; F74-F139 AromaticContact CG-CD1 3.57Å; F74-F139 HydrophobicContact CG-CD1 3.57Å; F74-F139 AromaticContact CG-CE1 3.34Å; F74-F139 HydrophobicContact CG-CE1 3.34Å; F74-F139 HydrophobicContact CG-CZ 4.23Å; F74-F139 AromaticContact CZ-CD1 3.82Å; F74-F139 HydrophobicContact CZ-CD1 3.82Å; F74-F139 HydrophobicContact CZ-CE1 4.41Å; F74-E140 HydrophobicContact CE1-CG 4.37Å; F74-E140 HydrophobicContact CE2-CG 4.47Å; F74-E140 HydrophobicContact CZ-CG 3.63Å; F74-Y213 HydrophobicContact CD1-CD2 4.07Å; F74-Y213 HydrophobicContact CD1-CG 4.19Å; F74-Y213 AromaticContact CE1-CD2 3.92Å; F74-Y213 HydrophobicContact CE1-CD2 3.92Å; F74-Y213 AromaticContact CE1-CE2 3.95Å; F74-Y213 HydrophobicContact CE1-CE2 3.95Å; F74-Y213 HydrophobicContact CE1-CG 4.22Å |
| 75 | I | 98.8 | Very high | 97.8 | Very high | 56 Ų | 56 | 29.4 Ų | 29.4 | 29% | 0.287 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -65 | -52.3 | -179.5 | -62.5 | 160.6 | 0 | 0 | 0 | 110.9 | N71 V72 S77 Y78 Y213 Y218 | N71-I75 WeakPolarHBondContact O-CG1 3.34Å; N71-I75 PolarHBondContact O-N 3.33Å; V72-I75 PolarHBondContact O-N 2.82Å; I75-S77 VanDerWaalsContact C-N 3.31Å; I75-S77 PolarHBondContact O-N 2.92Å; I75-Y78 WeakPolarHBondContact O-CB 3.47Å; I75-Y78 PolarHBondContact O-N 3.2Å; I75-Y213 HydrophobicContact CD1-CD2 4.42Å; I75-Y213 WeakPolarHBondContact CD1-O 3.28Å; I75-Y213 HydrophobicContact CG1-CD2 4.16Å; I75-Y218 HydrophobicContact CD1-CE1 4.06Å; I75-Y218 VanDerWaalsContact CG2-OH 3.24Å; I75-Y218 WeakPolarHBondContact CG2-OH 3.47Å |
| 76 | E | 98.2 | Very high | 97.9 | Very high | 20 Ų | 20 | 29.4 Ų | 29.4 | 9% | 0.093 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -76.4 | -18 | -170.8 | -63.6 | -64.1 | 145.4 | 0 | 0 | 113.1 | V72 Y78 R79 Y218 V220 I234 | V72-E76 HydrophobicContact CG1-CG 3.83Å; V72-E76 VanDerWaalsContact O-CB 3.25Å; V72-E76 WeakPolarHBondContact O-CB 3.01Å; V72-E76 VanDerWaalsContact O-CG 3.23Å; V72-E76 WeakPolarHBondContact O-CG 3.19Å; V72-E76 PolarHBondContact O-N 3.14Å; E76-Y78 PolarHBondContact O-N 2.84Å; E76-Y78 VanDerWaalsContact O-N 3.08Å; E76-R79 WeakPolarHBondContact O-CB 3.48Å; E76-R79 VanDerWaalsContact O-CG 3.27Å; E76-R79 WeakPolarHBondContact O-CG 3.36Å; E76-R79 PolarHBondContact O-N 3.31Å; E76-R79 IonicContact OE1-NH2 2.61Å; E76-R79 IonicContact OE2-CZ 3.06Å; E76-R79 IonicContact OE2-NE 3.28Å; E76-R79 PolarHBondContact OE2-NE 3.2Å; E76-R79 IonicContact OE2-NH2 2.69Å; E76-R79 PolarHBondContact OE2-NH2 2.91Å; E76-Y218 HydrophobicContact CG-CE2 3.99Å; E76-Y218 VanDerWaalsContact OE1-CE2 3.25Å; E76-Y218 WeakPolarHBondContact OE1-CE2 3.42Å; E76-Y218 PolarHBondContact OE1-OH 2.8Å; E76-V220 HydrophobicContact CG-CG2 4.48Å; E76-I234 HydrophobicContact CB-CD1 3.5Å; E76-I234 VanDerWaalsContact CB-CD1 3.5Å; E76-I234 HydrophobicContact CG-CD1 4.4Å |
| 77 | S | 97.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | -55.2 | -27.1 | 172.3 | 69.4 | 0 | 0 | 0 | 0 | 112.7 | G73 F74 I75 R79 V80 A81 F83 F86 | G73-S77 WeakPolarHBondContact O-CB 3.46Å; G73-S77 PolarHBondContact O-N 2.88Å; F74-S77 PolarHBondContact O-OG 3.2Å; I75-S77 VanDerWaalsContact C-N 3.31Å; I75-S77 PolarHBondContact O-N 2.92Å; S77-R79 PolarHBondContact O-N 2.03Å; S77-V80 PolarHBondContact O-N 2.9Å; S77-A81 PolarHBondContact O-N 3.42Å; S77-F83 WeakPolarHBondContact O-CE2 3.28Å; S77-F86 WeakPolarHBondContact OG-CE1 3.21Å |
| 78 | Y | 96.3 | Very high | 97.9 | Very high | 147 Ų | 147 | 28 Ų | 28 | 58% | 0.576 | 13% | 0.125 | S | C | * | . | G | 310 helix | trans | -59.1 | -19.5 | 177.8 | -153.5 | -91 | 0 | 0 | 0 | 113.7 | I75 E76 V80 A81 Y82 | I75-Y78 WeakPolarHBondContact O-CB 3.47Å; I75-Y78 PolarHBondContact O-N 3.2Å; E76-Y78 PolarHBondContact O-N 2.84Å; E76-Y78 VanDerWaalsContact O-N 3.08Å; Y78-V80 PolarHBondContact O-N 3.01Å; Y78-A81 WeakPolarHBondContact CA-O 3.41Å; Y78-Y82 HydrophobicContact CD2-CD2 4.41Å; Y78-Y82 AromaticContact CE2-CD2 3.54Å; Y78-Y82 HydrophobicContact CE2-CD2 3.54Å; Y78-Y82 HydrophobicContact CE2-CE2 4.2Å; Y78-Y82 HydrophobicContact CE2-CG 4.42Å |
| 79 | R | 94.4 | Very high | 97.9 | Very high | 121 Ų | 121 | 27.9 Ų | 27.9 | 46% | 0.457 | 12% | 0.124 | S | C | . | . | G | 310 helix | trans | -58.7 | -29.1 | 172.9 | -69.1 | -179.6 | -175.8 | -79.1 | -12.6 | 113.3 | E76 S77 Y232 | E76-R79 WeakPolarHBondContact O-CB 3.48Å; E76-R79 VanDerWaalsContact O-CG 3.27Å; E76-R79 WeakPolarHBondContact O-CG 3.36Å; E76-R79 PolarHBondContact O-N 3.31Å; E76-R79 IonicContact OE1-NH2 2.61Å; E76-R79 IonicContact OE2-CZ 3.06Å; E76-R79 IonicContact OE2-NE 3.28Å; E76-R79 PolarHBondContact OE2-NE 3.2Å; E76-R79 IonicContact OE2-NH2 2.69Å; E76-R79 PolarHBondContact OE2-NH2 2.91Å; S77-R79 PolarHBondContact O-N 2.03Å; R79-Y232 HydrophobicContact CB-CE1 4.28Å |
| 80 | V | 95.1 | Very high | 97.9 | Very high | 37 Ų | 37 | 29.5 Ų | 29.5 | 22% | 0.224 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -49.6 | -176.5 | 179.5 | 0 | 0 | 0 | 0 | 110.8 | T52 F54 S77 Y78 F83 Y232 | T52-V80 HydrophobicContact CG2-CG1 4.47Å; F54-V80 HydrophobicContact CE1-CB 4.28Å; F54-V80 HydrophobicContact CE1-CG2 3.66Å; F54-V80 HydrophobicContact CZ-CB 3.93Å; F54-V80 HydrophobicContact CZ-CG2 3.79Å; S77-V80 PolarHBondContact O-N 2.9Å; Y78-V80 PolarHBondContact O-N 3.01Å; V80-F83 HydrophobicContact CB-CE2 4.2Å; V80-F83 HydrophobicContact CB-CZ 4.3Å; V80-F83 HydrophobicContact CG1-CZ 4.22Å; V80-Y232 HydrophobicContact CG2-CD1 4.24Å; V80-Y232 HydrophobicContact CG2-CD2 4.35Å; V80-Y232 HydrophobicContact CG2-CE1 4.42Å; V80-Y232 HydrophobicContact CG2-CG 4.18Å |
| 81 | A | 95.2 | Very high | 97.8 | Very high | 18 Ų | 18 | 29.9 Ų | 29.9 | 15% | 0.149 | 14% | 0.136 | C | C | . | . | trans | -161.4 | 165.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | K19 S77 Y78 F83 | K19-A81 HydrophobicContact CD-CB 4.42Å; S77-A81 PolarHBondContact O-N 3.42Å; Y78-A81 WeakPolarHBondContact CA-O 3.41Å; A81-F83 HydrophobicContact CB-CD2 4.24Å; A81-F83 HydrophobicContact CB-CE1 4.49Å; A81-F83 HydrophobicContact CB-CE2 3.79Å; A81-F83 HydrophobicContact CB-CZ 3.94Å; A81-F83 WeakPolarHBondContact O-CD2 3.04Å; A81-F83 WeakPolarHBondContact O-CE2 3.4Å; A81-F83 PolarHBondContact O-N 3.28Å | ||
| 82 | Y | 96.4 | Very high | 97.8 | Very high | 115 Ų | 115 | 30.3 Ų | 30.3 | 45% | 0.451 | 14% | 0.138 | S | C | . | . | trans | -74.4 | 110.2 | 158.2 | -166.8 | -79.1 | 0 | 0 | 0 | 108.6 | K19 Y78 R136 | K19-Y82 WeakPolarHBondContact CD-O 3.41Å; Y78-Y82 HydrophobicContact CD2-CD2 4.41Å; Y78-Y82 AromaticContact CE2-CD2 3.54Å; Y78-Y82 HydrophobicContact CE2-CD2 3.54Å; Y78-Y82 HydrophobicContact CE2-CE2 4.2Å; Y78-Y82 HydrophobicContact CE2-CG 4.42Å; Y82-R136 WeakPolarHBondContact OH-CD 3.44Å | ||
| 83 | F | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | trans | -95.1 | 143.3 | 178.6 | -68 | -87.5 | 0 | 0 | 0 | 112 | L8 K19 L20 A21 F54 S77 V80 A81 F86 R136 | L8-F83 HydrophobicContact CD1-CE1 3.63Å; L8-F83 HydrophobicContact CD1-CZ 4.17Å; K19-F83 HydrophobicContact CB-CD1 3.82Å; K19-F83 HydrophobicContact CB-CE1 4.37Å; L20-F83 WeakPolarHBondContact O-CD1 3.39Å; L20-F83 VanDerWaalsContact O-CE1 3.23Å; L20-F83 WeakPolarHBondContact O-CE1 3.07Å; A21-F83 HydrophobicContact CB-CB 3.99Å; A21-F83 HydrophobicContact CB-CD1 3.79Å; A21-F83 HydrophobicContact CB-CD2 3.98Å; A21-F83 HydrophobicContact CB-CE1 4.23Å; A21-F83 HydrophobicContact CB-CE2 4.43Å; A21-F83 HydrophobicContact CB-CG 3.65Å; F54-F83 HydrophobicContact CE2-CD2 4.43Å; F54-F83 HydrophobicContact CE2-CE1 4.31Å; F54-F83 AromaticContact CE2-CE2 3.69Å; F54-F83 HydrophobicContact CE2-CE2 3.69Å; F54-F83 AromaticContact CE2-CZ 3.62Å; F54-F83 HydrophobicContact CE2-CZ 3.62Å; F54-F83 AromaticContact CZ-CE2 3.53Å; F54-F83 HydrophobicContact CZ-CE2 3.53Å; F54-F83 AromaticContact CZ-CZ 3.68Å; F54-F83 HydrophobicContact CZ-CZ 3.68Å; S77-F83 WeakPolarHBondContact O-CE2 3.28Å; V80-F83 HydrophobicContact CB-CE2 4.2Å; V80-F83 HydrophobicContact CB-CZ 4.3Å; V80-F83 HydrophobicContact CG1-CZ 4.22Å; A81-F83 HydrophobicContact CB-CD2 4.24Å; A81-F83 HydrophobicContact CB-CE1 4.49Å; A81-F83 HydrophobicContact CB-CE2 3.79Å; A81-F83 HydrophobicContact CB-CZ 3.94Å; A81-F83 WeakPolarHBondContact O-CD2 3.04Å; A81-F83 WeakPolarHBondContact O-CE2 3.4Å; A81-F83 PolarHBondContact O-N 3.28Å; F83-F86 HydrophobicContact CB-CE1 4.38Å; F83-F86 HydrophobicContact CB-CE2 4.3Å; F83-F86 HydrophobicContact CB-CZ 3.9Å; F83-R136 PolarHBondContact O-NE 3.32Å | ||
| 84 | D | 98.3 | Very high | 97.8 | Very high | 63 Ų | 63 | 31.4 Ų | 31.4 | 34% | 0.337 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -94 | -35.7 | -177.7 | -49.1 | -65.7 | 0 | 0 | 0 | 111.3 | E18 K19 N135 R136 | E18-D84 HydrophobicContact CB-CB 4.23Å; K19-D84 PolarHBondContact N-OD2 3.49Å; K19-D84 PolarHBondContact O-N 3.17Å; D84-N135 WeakPolarHBondContact O-CA 3.42Å; D84-R136 PolarHBondContact O-N 3.22Å |
| 85 | C | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 135.8 | -174.4 | 179.2 | 0 | 0 | 0 | 0 | 111.3 | E18 K19 L20 A21 C104 | E18-C85 WeakPolarHBondContact OE2-CB 3.07Å; K19-C85 PolarHBondContact O-N 3.05Å; L20-C85 WeakPolarHBondContact CA-O 3.42Å; L20-C85 HydrophobicContact CD1-CB 4.38Å; L20-C85 HydrophobicContact CG-CB 4Å; A21-C85 PolarHBondContact N-O 3.25Å; C85-C104 WeakPolarHBondContact CA-SG 3.35Å; C85-C104 HydrophobicContact CB-CB 3.71Å; C85-C104 WeakPolarHBondContact CB-SG 3.35Å; C85-C104 WeakPolarHBondContact SG-CB 3.36Å; C85-C104 PolarHBondContact SG-N 2.88Å; C85-C104 CovalentContact SG-SG 2.03Å; C85-C104 PolarHBondContact SG-SG 3.38Å |
| 86 | F | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 123.1 | 178.7 | -68.6 | -91.2 | 0 | 0 | 0 | 109.8 | A21 I23 F74 S77 F83 F88 A133 V134 R136 | A21-F86 HydrophobicContact CB-CD1 3.73Å; A21-F86 HydrophobicContact CB-CE1 3.7Å; A21-F86 WeakPolarHBondContact O-CA 3.46Å; I23-F86 HydrophobicContact CD1-CD1 4.47Å; I23-F86 HydrophobicContact CG1-CD1 4.11Å; F74-F86 HydrophobicContact CB-CD1 4.48Å; F74-F86 HydrophobicContact CB-CE1 4.31Å; F74-F86 AromaticContact CD2-CD1 3.82Å; F74-F86 HydrophobicContact CD2-CD1 3.82Å; F74-F86 AromaticContact CD2-CD2 3.87Å; F74-F86 HydrophobicContact CD2-CD2 3.87Å; F74-F86 AromaticContact CD2-CE1 3.49Å; F74-F86 HydrophobicContact CD2-CE1 3.49Å; F74-F86 VanDerWaalsContact CD2-CE1 3.49Å; F74-F86 AromaticContact CD2-CE2 3.55Å; F74-F86 HydrophobicContact CD2-CE2 3.55Å; F74-F86 HydrophobicContact CD2-CG 4Å; F74-F86 AromaticContact CD2-CZ 3.34Å; F74-F86 HydrophobicContact CD2-CZ 3.34Å; F74-F86 HydrophobicContact CE2-CD2 4.01Å; F74-F86 HydrophobicContact CE2-CE1 4.2Å; F74-F86 AromaticContact CE2-CE2 3.45Å; F74-F86 HydrophobicContact CE2-CE2 3.45Å; F74-F86 VanDerWaalsContact CE2-CE2 3.45Å; F74-F86 AromaticContact CE2-CZ 3.56Å; F74-F86 HydrophobicContact CE2-CZ 3.56Å; F74-F86 HydrophobicContact CG-CE1 4.26Å; F74-F86 HydrophobicContact CG-CZ 4.37Å; S77-F86 WeakPolarHBondContact OG-CE1 3.21Å; F83-F86 HydrophobicContact CB-CE1 4.38Å; F83-F86 HydrophobicContact CB-CE2 4.3Å; F83-F86 HydrophobicContact CB-CZ 3.9Å; F86-F88 HydrophobicContact CB-CD2 4.47Å; F86-F88 HydrophobicContact CB-CE2 3.73Å; F86-F88 HydrophobicContact CB-CZ 3.75Å; F86-F88 HydrophobicContact CD1-CZ 4.49Å; F86-F88 HydrophobicContact CG-CZ 4.32Å; F86-A133 WeakPolarHBondContact O-CA 3.33Å; F86-V134 WeakPolarHBondContact CB-O 3.41Å; F86-V134 PolarHBondContact N-O 2.86Å; F86-V134 PolarHBondContact O-N 3.29Å; F86-R136 HydrophobicContact CE2-CB 4.03Å; F86-R136 HydrophobicContact CE2-CG 4.47Å |
| 87 | I | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 109.4 | 171 | -46.9 | -58.9 | 0 | 0 | 0 | 107.4 | L20 A21 I22 I23 Y102 L111 V131 I132 A133 | L20-I87 HydrophobicContact CD2-CD1 4.35Å; L20-I87 HydrophobicContact CD2-CG1 4.16Å; A21-I87 PolarHBondContact O-N 2.8Å; I22-I87 CarbonylContact C-O 3.46Å; I22-I87 WeakPolarHBondContact CA-O 3.38Å; I22-I87 HydrophobicContact CG1-CB 4.17Å; I22-I87 HydrophobicContact CG1-CG1 4.3Å; I22-I87 HydrophobicContact CG2-CB 4.45Å; I23-I87 PolarHBondContact N-O 3.12Å; I87-Y102 HydrophobicContact CB-CD1 4.49Å; I87-Y102 HydrophobicContact CG1-CD1 4.19Å; I87-Y102 HydrophobicContact CG2-CD1 3.78Å; I87-Y102 HydrophobicContact CG2-CE1 3.83Å; I87-L111 HydrophobicContact CD1-CD1 4.26Å; I87-L111 HydrophobicContact CG2-CD1 3.98Å; I87-V131 HydrophobicContact CG2-CG1 3.88Å; I87-I132 CarbonylContact C-O 3.51Å; I87-I132 VanDerWaalsContact CA-O 3.3Å; I87-I132 WeakPolarHBondContact CA-O 3.13Å; I87-A133 HydrophobicContact CD1-CB 3.39Å |
| 88 | F | 98.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 124.1 | 175 | -61.2 | -74.3 | 0 | 0 | 0 | 108.6 | I23 M70 F86 V131 I132 V134 F139 F145 | I23-F88 HydrophobicContact CB-CD1 3.82Å; I23-F88 HydrophobicContact CB-CE1 4.1Å; I23-F88 HydrophobicContact CG1-CD1 4.22Å; I23-F88 HydrophobicContact CG1-CE1 4.02Å; I23-F88 HydrophobicContact CG2-CD1 4.17Å; I23-F88 HydrophobicContact CG2-CE1 4.35Å; M70-F88 HydrophobicContact CB-CD1 3.62Å; M70-F88 HydrophobicContact CB-CE1 3.89Å; M70-F88 HydrophobicContact CE-CB 3.75Å; M70-F88 HydrophobicContact CG-CB 4.43Å; M70-F88 HydrophobicContact CG-CD1 3.74Å; M70-F88 HydrophobicContact CG-CE1 4.49Å; M70-F88 HydrophobicContact CG-CG 4.42Å; M70-F88 HydrophobicContact SD-CB 3.82Å; M70-F88 HydrophobicContact SD-CD1 4.03Å; M70-F88 HydrophobicContact SD-CG 4.13Å; F86-F88 HydrophobicContact CB-CD2 4.47Å; F86-F88 HydrophobicContact CB-CE2 3.73Å; F86-F88 HydrophobicContact CB-CZ 3.75Å; F86-F88 HydrophobicContact CD1-CZ 4.49Å; F86-F88 HydrophobicContact CG-CZ 4.32Å; F88-V131 VanDerWaalsContact O-CA 3.3Å; F88-V131 WeakPolarHBondContact O-CA 3.36Å; F88-I132 HydrophobicContact CB-CG1 3.89Å; F88-I132 HydrophobicContact CD2-CD1 4.1Å; F88-I132 HydrophobicContact CD2-CG1 4Å; F88-I132 HydrophobicContact CG-CG1 4.44Å; F88-I132 PolarHBondContact N-O 3.49Å; F88-I132 PolarHBondContact O-N 3.27Å; F88-V134 HydrophobicContact CD2-CG2 4.48Å; F88-V134 HydrophobicContact CE2-CB 4.39Å; F88-V134 HydrophobicContact CE2-CG2 4.41Å; F88-F139 HydrophobicContact CE1-CE2 4.09Å; F88-F139 HydrophobicContact CE1-CZ 4.33Å; F88-F139 AromaticContact CE2-CD2 3.55Å; F88-F139 HydrophobicContact CE2-CD2 3.55Å; F88-F139 AromaticContact CE2-CE2 3.47Å; F88-F139 HydrophobicContact CE2-CE2 3.47Å; F88-F139 VanDerWaalsContact CE2-CE2 3.47Å; F88-F139 HydrophobicContact CE2-CZ 4.42Å; F88-F139 AromaticContact CZ-CD2 3.56Å; F88-F139 HydrophobicContact CZ-CD2 3.56Å; F88-F139 AromaticContact CZ-CE2 3.17Å; F88-F139 HydrophobicContact CZ-CE2 3.17Å; F88-F139 HydrophobicContact CZ-CG 4.37Å; F88-F139 AromaticContact CZ-CZ 3.7Å; F88-F139 HydrophobicContact CZ-CZ 3.7Å; F88-F145 HydrophobicContact CB-CZ 4.28Å; F88-F145 AromaticContact CD1-CE2 3.76Å; F88-F145 HydrophobicContact CD1-CE2 3.76Å; F88-F145 HydrophobicContact CD1-CZ 4.33Å; F88-F145 AromaticContact CD2-CE2 3.78Å; F88-F145 HydrophobicContact CD2-CE2 3.78Å; F88-F145 AromaticContact CD2-CZ 3.86Å; F88-F145 HydrophobicContact CD2-CZ 3.86Å; F88-F145 AromaticContact CE1-CE2 3.82Å; F88-F145 HydrophobicContact CE1-CE2 3.82Å; F88-F145 AromaticContact CE2-CE2 3.84Å; F88-F145 HydrophobicContact CE2-CE2 3.84Å; F88-F145 HydrophobicContact CE2-CZ 4.29Å; F88-F145 AromaticContact CG-CE2 3.75Å; F88-F145 HydrophobicContact CG-CE2 3.75Å; F88-F145 AromaticContact CG-CZ 3.89Å; F88-F145 HydrophobicContact CG-CZ 3.89Å; F88-F145 AromaticContact CZ-CE2 3.85Å; F88-F145 HydrophobicContact CZ-CE2 3.85Å |
| 89 | H | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 122.6 | -159.5 | -158.4 | -46.7 | 0 | 0 | 0 | 113 | I22 I23 V24 P25 F36 L93 Y102 V131 | I22-H89 HydrophobicContact CG2-CB 4.06Å; I23-H89 PolarHBondContact O-N 3.18Å; V24-H89 HydrophobicContact CG2-CB 4.4Å; P25-H89 WeakPolarHBondContact CD-O 3.36Å; F36-H89 AromaticContact CE2-CE1 3.61Å; F36-H89 AromaticContact CE2-CG 3.91Å; F36-H89 AromaticContact CE2-ND1 3.47Å; F36-H89 WeakPolarHBondContact CE2-ND1 3.26Å; H89-L93 PolarHBondContact CE1-O 3.05Å; H89-Y102 AromaticContact CD2-CE1 3.57Å; H89-Y102 AromaticContact CD2-CZ 3.95Å; H89-Y102 PolarHBondContact CD2-OH 3.12Å; H89-Y102 AromaticContact NE2-CE1 3.69Å; H89-Y102 AromaticContact NE2-CZ 3.62Å; H89-Y102 PolarHBondContact NE2-OH 3.39Å; H89-V131 HydrophobicContact CB-CG1 4.32Å; H89-V131 WeakPolarHBondContact CD2-CG1 3.41Å; H89-V131 WeakPolarHBondContact CE1-CG2 3.45Å |
| 90 | D | 98.4 | Very high | 98 | Very high | 34 Ų | 34 | 30 Ų | 30 | 18% | 0.182 | 14% | 0.143 | C | C | . | . | trans | -68.8 | 135.4 | 170 | -67.8 | -9.1 | 0 | 0 | 0 | 111.1 | R66 D92 L93 G130 | R66-D90 IonicContact CZ-OD1 3.5Å; R66-D90 IonicContact NE-OD1 3.33Å; R66-D90 PolarHBondContact NE-OD1 3.08Å; R66-D90 IonicContact NE-OD2 2.77Å; R66-D90 IonicContact NH2-OD1 3.57Å; R66-D90 PolarHBondContact NH2-OD1 3.28Å; R66-D90 IonicContact NH2-OD2 2.7Å; D90-D92 PolarHBondContact O-N 2.94Å; D90-D92 VanDerWaalsContact O-N 3.14Å; D90-L93 HydrophobicContact CB-CD1 4.07Å; D90-L93 HydrophobicContact CB-CG 4.19Å; D90-L93 PolarHBondContact O-N 2.86Å; D90-G130 PolarHBondContact N-O 3.28Å; D90-G130 VanDerWaalsContact N-O 3.15Å; D90-G130 WeakPolarHBondContact OD2-CA 3.46Å | ||
| 91 | V | 98.5 | Very high | 98.1 | Very high | 9 Ų | 9 | 30.5 Ų | 30.5 | 6% | 0.055 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -18 | -174.7 | 71.4 | 0 | 0 | 0 | 0 | 113.6 | V24 Y26 R29 H32 L33 F36 | V24-V91 HydrophobicContact CG1-CB 3.7Å; V24-V91 HydrophobicContact CG1-CG2 4.03Å; Y26-V91 HydrophobicContact CD2-CG2 4.31Å; R29-V91 HydrophobicContact CB-CG1 4.1Å; R29-V91 HydrophobicContact CG-CG1 4.33Å; H32-V91 HydrophobicContact CB-CG1 4.25Å; H32-V91 HydrophobicContact CB-CG2 4.37Å; L33-V91 HydrophobicContact CB-CG2 4.13Å; L33-V91 HydrophobicContact CD1-CG2 4.06Å; F36-V91 HydrophobicContact CB-CG2 4.08Å; F36-V91 WeakPolarHBondContact CD2-O 3.36Å; F36-V91 HydrophobicContact CG-CG2 4.16Å |
| 92 | D | 98.2 | Very high | 98.2 | Very high | 8 Ų | 8 | 29.6 Ų | 29.6 | 4% | 0.043 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 0.4 | -176.4 | 54.5 | 19.7 | 0 | 0 | 0 | 114.3 | R29 D90 M182 L183 H185 | R29-D92 IonicContact CZ-OD2 3.47Å; R29-D92 IonicContact NH1-OD2 2.68Å; R29-D92 PolarHBondContact NH1-OD2 2.95Å; R29-D92 IonicContact NH2-OD2 3.52Å; D90-D92 PolarHBondContact O-N 2.94Å; D90-D92 VanDerWaalsContact O-N 3.14Å; D92-M182 CarbonylContact O-C 3.56Å; D92-M182 WeakPolarHBondContact O-CA 3.35Å; D92-M182 WeakPolarHBondContact OD2-CE 3.44Å; D92-L183 HydrophobicContact CB-CB 4.02Å; D92-L183 PolarHBondContact O-N 2.84Å; D92-H185 IonicContact OD2-CD2 3.87Å; D92-H185 PolarHBondContact OD2-CD2 3.13Å; D92-H185 VanDerWaalsContact OD2-CD2 3.28Å; D92-H185 IonicContact OD2-NE2 2.7Å; D92-H185 PolarHBondContact OD2-NE2 2.72Å; D92-H185 VanDerWaalsContact OD2-NE2 3.07Å |
| 93 | L | 98.6 | Very high | 98.2 | Very high | 3 Ų | 3 | 29.3 Ų | 29.3 | 2% | 0.016 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 130.4 | 174.6 | -68.3 | 178.2 | 0 | 0 | 0 | 110.2 | H89 D90 I115 V131 Y180 M182 | H89-L93 PolarHBondContact CE1-O 3.05Å; D90-L93 HydrophobicContact CB-CD1 4.07Å; D90-L93 HydrophobicContact CB-CG 4.19Å; D90-L93 PolarHBondContact O-N 2.86Å; L93-I115 HydrophobicContact CD1-CD1 4.17Å; L93-I115 HydrophobicContact CD2-CD1 4.02Å; L93-I115 HydrophobicContact CD2-CG1 4.28Å; L93-I115 HydrophobicContact CD2-CG2 3.85Å; L93-V131 HydrophobicContact CB-CG2 3.99Å; L93-V131 HydrophobicContact CD1-CG2 3.81Å; L93-Y180 HydrophobicContact CB-CD1 3.81Å; L93-Y180 HydrophobicContact CB-CE1 4.39Å; L93-M182 HydrophobicContact CD2-CB 3.86Å; L93-M182 HydrophobicContact CD2-CG 4.03Å |
| 94 | L | 98.7 | Very high | 98.2 | Very high | 20 Ų | 20 | 30.4 Ų | 30.4 | 11% | 0.105 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 122.2 | 176.8 | -58 | -177.3 | 0 | 0 | 0 | 110.2 | F36 H39 Y180 I181 L183 | F36-L94 HydrophobicContact CB-CD2 4.44Å; F36-L94 HydrophobicContact CD2-CD2 4.19Å; H39-L94 HydrophobicContact CB-CD1 4.32Å; H39-L94 HydrophobicContact CB-CD2 3.95Å; L94-Y180 VanDerWaalsContact O-CA 3.28Å; L94-Y180 WeakPolarHBondContact O-CA 3.38Å; L94-I181 PolarHBondContact N-O 3.13Å; L94-I181 PolarHBondContact O-N 3.23Å; L94-L183 HydrophobicContact CD1-CD1 4.14Å; L94-L183 HydrophobicContact CD1-CD2 3.85Å; L94-L183 HydrophobicContact CD1-CG 4.05Å; L94-L183 HydrophobicContact CG-CD1 4.37Å; L94-L183 HydrophobicContact CG-CG 4.27Å |
| 95 | P | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.013 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 138.5 | 178.4 | 27.7 | -34.1 | 0 | 0 | 0 | 110.8 | H39 M40 F43 Y102 Y180 | H39-P95 PolarHBondContact CE1-O 3.46Å; H39-P95 PolarHBondContact NE2-O 2.84Å; M40-P95 HydrophobicContact CE-CG 4.33Å; M40-P95 VanDerWaalsContact SD-CD 3.51Å; M40-P95 HydrophobicContact SD-CG 3.91Å; F43-P95 HydrophobicContact CD1-CG 3.88Å; F43-P95 HydrophobicContact CD2-CB 4.29Å; F43-P95 HydrophobicContact CD2-CG 3.78Å; F43-P95 HydrophobicContact CE1-CB 4.32Å; F43-P95 HydrophobicContact CE1-CG 3.78Å; F43-P95 HydrophobicContact CE2-CB 3.71Å; F43-P95 HydrophobicContact CE2-CG 3.64Å; F43-P95 HydrophobicContact CG-CG 3.88Å; F43-P95 HydrophobicContact CZ-CB 3.71Å; F43-P95 HydrophobicContact CZ-CG 3.62Å; P95-Y102 HydrophobicContact CB-CE2 4.34Å; P95-Y102 HydrophobicContact CG-CE2 4.26Å; P95-Y180 HydrophobicContact CB-CD1 4.26Å; P95-Y180 HydrophobicContact CB-CE1 3.73Å; P95-Y180 HydrophobicContact CB-CE2 4.26Å; P95-Y180 HydrophobicContact CG-CE1 4.21Å |
| 96 | E | 98.2 | Very high | 98.1 | Very high | 81 Ų | 81 | 36.6 Ų | 36.6 | 38% | 0.379 | 17% | 0.172 | S | C | . | . | trans | -94.7 | -21 | -177.8 | -68.8 | 178.5 | 91.3 | 0 | 0 | 113.9 | Y120 R179 Y180 I181 | E96-Y120 PolarHBondContact OE1-OH 2.93Å; E96-Y120 WeakPolarHBondContact OE2-CE1 3.5Å; E96-Y120 PolarHBondContact OE2-OH 3.14Å; E96-R179 HydrophobicContact CB-CB 4.26Å; E96-R179 PolarHBondContact N-O 3.22Å; E96-R179 VanDerWaalsContact OE2-CB 3.23Å; E96-R179 WeakPolarHBondContact OE2-CB 3.24Å; E96-Y180 PolarHBondContact OE2-N 2.99Å; E96-I181 HydrophobicContact CG-CD1 3.96Å; E96-I181 HydrophobicContact CG-CG1 3.87Å | ||
| 97 | D | 97.8 | Very high | 98.1 | Very high | 33 Ų | 33 | 39.3 Ų | 39.3 | 18% | 0.176 | 19% | 0.185 | C | C | . | . | trans | -128 | 121.3 | -172 | -162.5 | -51.3 | 0 | 0 | 0 | 112 | F43 R99 N100 I177 | F43-D97 WeakPolarHBondContact CE2-O 3.49Å; D97-R99 PolarHBondContact O-N 3.46Å; D97-R99 WeakPolarHBondContact OD1-CB 3.44Å; D97-R99 WeakPolarHBondContact OD1-CG 3.36Å; D97-R99 IonicContact OD1-CZ 3.87Å; D97-R99 PolarHBondContact OD1-N 2.81Å; D97-R99 IonicContact OD1-NE 2.93Å; D97-R99 PolarHBondContact OD1-NE 2.92Å; D97-R99 IonicContact OD1-NH2 3.97Å; D97-R99 IonicContact OD2-CZ 3.26Å; D97-R99 VanDerWaalsContact OD2-CZ 3.26Å; D97-R99 IonicContact OD2-NE 3.1Å; D97-R99 PolarHBondContact OD2-NE 3.11Å; D97-R99 VanDerWaalsContact OD2-NE 3.1Å; D97-R99 IonicContact OD2-NH2 2.64Å; D97-R99 PolarHBondContact OD2-NH2 3.1Å; D97-N100 WeakPolarHBondContact O-CB 3.4Å; D97-N100 PolarHBondContact O-N 3.04Å; D97-I177 WeakPolarHBondContact CB-O 3.16Å | ||
| 98 | D | 97.1 | Very high | 98.1 | Very high | 61 Ų | 61 | 39.3 Ų | 39.3 | 33% | 0.326 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -15.8 | -180 | -72.4 | -10.1 | 0 | 0 | 0 | 113.3 | F43 R46 Q47 N100 I101 | F43-D98 WeakPolarHBondContact CD2-OD1 2.99Å; R46-D98 WeakPolarHBondContact CD-OD2 3.4Å; R46-D98 IonicContact CZ-OD1 3.33Å; R46-D98 IonicContact CZ-OD2 3.84Å; R46-D98 IonicContact NE-OD1 2.87Å; R46-D98 PolarHBondContact NE-OD1 2.92Å; R46-D98 IonicContact NE-OD2 2.94Å; R46-D98 PolarHBondContact NE-OD2 3.17Å; R46-D98 IonicContact NH2-OD1 3.72Å; R46-D98 PolarHBondContact NH2-OD1 2.83Å; R46-D98 IonicContact NH2-OD2 3.88Å; Q47-D98 PolarHBondContact NE2-O 2.79Å; D98-N100 PolarHBondContact O-N 3.24Å; D98-I101 VanDerWaalsContact O-CD1 3.22Å; D98-I101 WeakPolarHBondContact O-CD1 3.23Å |
| 99 | R | 97.8 | Very high | 98.1 | Very high | 144 Ų | 144 | 40.8 Ų | 40.8 | 54% | 0.543 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -12.8 | 173.7 | -59.5 | 173.1 | -69.5 | 170.3 | 1.6 | 112.6 | D97 I101 I177 | D97-R99 PolarHBondContact O-N 3.46Å; D97-R99 WeakPolarHBondContact OD1-CB 3.44Å; D97-R99 WeakPolarHBondContact OD1-CG 3.36Å; D97-R99 IonicContact OD1-CZ 3.87Å; D97-R99 PolarHBondContact OD1-N 2.81Å; D97-R99 IonicContact OD1-NE 2.93Å; D97-R99 PolarHBondContact OD1-NE 2.92Å; D97-R99 IonicContact OD1-NH2 3.97Å; D97-R99 IonicContact OD2-CZ 3.26Å; D97-R99 VanDerWaalsContact OD2-CZ 3.26Å; D97-R99 IonicContact OD2-NE 3.1Å; D97-R99 PolarHBondContact OD2-NE 3.11Å; D97-R99 VanDerWaalsContact OD2-NE 3.1Å; D97-R99 IonicContact OD2-NH2 2.64Å; D97-R99 PolarHBondContact OD2-NH2 3.1Å; R99-I101 VanDerWaalsContact C-N 3.25Å; R99-I101 PolarHBondContact O-N 3.33Å; R99-I177 HydrophobicContact CB-CD1 4.35Å; R99-I177 HydrophobicContact CB-CG1 4.24Å; R99-I177 HydrophobicContact CB-CG2 3.65Å |
| 100 | N | 98.1 | Very high | 98 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -77.1 | 78.1 | 168.7 | -169 | -1.2 | 0 | 0 | 0 | 109.6 | F43 Q47 D97 D98 Y102 L111 Y173 I177 Y180 | F43-N100 WeakPolarHBondContact CZ-O 3.3Å; Q47-N100 PolarHBondContact NE2-O 3Å; D97-N100 WeakPolarHBondContact O-CB 3.4Å; D97-N100 PolarHBondContact O-N 3.04Å; D98-N100 PolarHBondContact O-N 3.24Å; N100-Y102 WeakPolarHBondContact O-CD2 3.3Å; N100-Y102 PolarHBondContact O-N 3.32Å; N100-L111 PolarHBondContact ND2-O 3.48Å; N100-L111 VanDerWaalsContact ND2-O 3.11Å; N100-L111 VanDerWaalsContact OD1-CD2 3.24Å; N100-L111 WeakPolarHBondContact OD1-CD2 3.49Å; N100-Y173 WeakPolarHBondContact OD1-CD2 3.27Å; N100-Y173 WeakPolarHBondContact OD1-CE2 3.33Å; N100-I177 HydrophobicContact CB-CG2 4.01Å; N100-I177 VanDerWaalsContact N-CG2 3.33Å; N100-Y180 VanDerWaalsContact ND2-CE2 3.26Å; N100-Y180 WeakPolarHBondContact ND2-CE2 3.4Å; N100-Y180 PolarHBondContact ND2-OH 3.29Å |
| 101 | I | 97.1 | Very high | 98 | Very high | 48 Ų | 48 | 39.1 Ų | 39.1 | 25% | 0.246 | 18% | 0.182 | C | C | . | . | trans | -69.3 | 119.1 | -170.8 | -52.2 | -59.9 | 0 | 0 | 0 | 110.5 | Q47 D98 R99 R103 Y173 | Q47-I101 HydrophobicContact CG-CD1 4.2Å; D98-I101 VanDerWaalsContact O-CD1 3.22Å; D98-I101 WeakPolarHBondContact O-CD1 3.23Å; R99-I101 VanDerWaalsContact C-N 3.25Å; R99-I101 PolarHBondContact O-N 3.33Å; I101-R103 HydrophobicContact CG2-CB 4.19Å; I101-R103 HydrophobicContact CG2-CG 3.5Å; I101-R103 PolarHBondContact O-N 3.46Å; I101-Y173 PolarHBondContact O-OH 3.34Å | ||
| 102 | Y | 97.9 | Very high | 98 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -76 | 90.9 | 175.1 | -85.1 | -142.4 | 0 | 0 | 0 | 108.2 | L20 M40 F43 L44 L49 I87 H89 P95 N100 L111 V131 Y180 | L20-Y102 WeakPolarHBondContact CD2-O 3.4Å; M40-Y102 HydrophobicContact CE-CD1 4.08Å; M40-Y102 HydrophobicContact CE-CE1 3.3Å; F43-Y102 AromaticContact CE1-CD2 3.46Å; F43-Y102 HydrophobicContact CE1-CD2 3.46Å; F43-Y102 VanDerWaalsContact CE1-CD2 3.46Å; F43-Y102 AromaticContact CE1-CE2 3.49Å; F43-Y102 HydrophobicContact CE1-CE2 3.49Å; F43-Y102 VanDerWaalsContact CE1-CE2 3.49Å; F43-Y102 AromaticContact CE1-CG 3.99Å; F43-Y102 HydrophobicContact CE1-CG 3.99Å; F43-Y102 AromaticContact CZ-CD2 3.96Å; F43-Y102 HydrophobicContact CZ-CD2 3.96Å; F43-Y102 AromaticContact CZ-CE2 3.85Å; F43-Y102 HydrophobicContact CZ-CE2 3.85Å; L44-Y102 HydrophobicContact CD2-CD1 3.65Å; L44-Y102 HydrophobicContact CD2-CE1 4.43Å; L44-Y102 HydrophobicContact CD2-CG 3.91Å; L49-Y102 WeakPolarHBondContact CD1-O 3.2Å; I87-Y102 HydrophobicContact CB-CD1 4.49Å; I87-Y102 HydrophobicContact CG1-CD1 4.19Å; I87-Y102 HydrophobicContact CG2-CD1 3.78Å; I87-Y102 HydrophobicContact CG2-CE1 3.83Å; H89-Y102 AromaticContact CD2-CE1 3.57Å; H89-Y102 AromaticContact CD2-CZ 3.95Å; H89-Y102 PolarHBondContact CD2-OH 3.12Å; H89-Y102 AromaticContact NE2-CE1 3.69Å; H89-Y102 AromaticContact NE2-CZ 3.62Å; H89-Y102 PolarHBondContact NE2-OH 3.39Å; P95-Y102 HydrophobicContact CB-CE2 4.34Å; P95-Y102 HydrophobicContact CG-CE2 4.26Å; N100-Y102 WeakPolarHBondContact O-CD2 3.3Å; N100-Y102 PolarHBondContact O-N 3.32Å; Y102-L111 HydrophobicContact CD1-CD1 4.44Å; Y102-L111 HydrophobicContact CD2-CD1 4.01Å; Y102-L111 HydrophobicContact CD2-CD2 4.41Å; Y102-L111 HydrophobicContact CE2-CD1 4.13Å; Y102-L111 HydrophobicContact CG-CD1 4.19Å; Y102-V131 HydrophobicContact CE1-CG1 4.38Å; Y102-Y180 WeakPolarHBondContact CE2-OH 3.49Å; Y102-Y180 VanDerWaalsContact CZ-OH 3.27Å; Y102-Y180 WeakPolarHBondContact OH-CE1 3.47Å; Y102-Y180 PolarHBondContact OH-OH 2.71Å | ||
| 103 | R | 96.2 | Very high | 98 | Very high | 108 Ų | 108 | 38.6 Ų | 38.6 | 41% | 0.408 | 18% | 0.179 | S | C | . | . | trans | -151.8 | 154.6 | 177.3 | -67.3 | -165.4 | -175.2 | 160.7 | 5.5 | 109.6 | E18 L49 I101 | E18-R103 WeakPolarHBondContact OE1-CA 3.48Å; E18-R103 WeakPolarHBondContact OE1-CB 3.37Å; E18-R103 WeakPolarHBondContact OE1-CD 3.18Å; E18-R103 WeakPolarHBondContact OE1-CG 3.09Å; E18-R103 IonicContact OE1-NE 3.6Å; L49-R103 HydrophobicContact CD2-CG 3.73Å; I101-R103 HydrophobicContact CG2-CB 4.19Å; I101-R103 HydrophobicContact CG2-CG 3.5Å; I101-R103 PolarHBondContact O-N 3.46Å | ||
| 104 | C | 98.2 | Very high | 97.9 | Very high | 24 Ų | 24 | 38.6 Ų | 38.6 | 16% | 0.162 | 18% | 0.179 | C | C | . | . | trans | -81.9 | 162.8 | 173.1 | -72.6 | 0 | 0 | 0 | 0 | 111 | C85 V134 N135 | C85-C104 WeakPolarHBondContact CA-SG 3.35Å; C85-C104 HydrophobicContact CB-CB 3.71Å; C85-C104 WeakPolarHBondContact CB-SG 3.35Å; C85-C104 WeakPolarHBondContact SG-CB 3.36Å; C85-C104 PolarHBondContact SG-N 2.88Å; C85-C104 CovalentContact SG-SG 2.03Å; C85-C104 PolarHBondContact SG-SG 3.38Å; C104-V134 PolarHBondContact SG-O 3.41Å; C104-N135 HydrophobicContact CB-CB 3.91Å; C104-N135 PolarHBondContact SG-N 2.8Å; C104-N135 VanDerWaalsContact SG-N 3.4Å | ||
| 105 | S | 97.3 | Very high | 97.9 | Very high | 29 Ų | 29 | 38.2 Ų | 38.2 | 20% | 0.203 | 18% | 0.177 | C | C | . | . | trans | -136.5 | 176.6 | 173.9 | 42.5 | 0 | 0 | 0 | 0 | 110.6 | Q107 R109 N135 Q138 | S105-Q107 PolarHBondContact O-N 3.12Å; S105-Q107 VanDerWaalsContact O-N 3.12Å; S105-Q107 PolarHBondContact OG-O 2.97Å; S105-R109 PolarHBondContact OG-NH2 3.3Å; S105-N135 PolarHBondContact O-ND2 2.96Å; S105-Q138 PolarHBondContact O-NE2 3.11Å | ||
| 106 | E | 97.7 | Very high | 97.9 | Very high | 163 Ų | 163 | 40 Ų | 40 | 76% | 0.762 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -55.2 | -26.4 | 173.1 | -62.5 | -54.5 | 129.1 | 0 | 0 | 113 | Q138 | E106-Q138 PolarHBondContact O-NE2 3.18Š|
| 107 | Q | 98.7 | Very high | 97.8 | Very high | 57 Ų | 57 | 41.1 Ų | 41.1 | 27% | 0.266 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -114.6 | 144.3 | 173.9 | -64.8 | -60.6 | -23.7 | 0 | 0 | 110.4 | S105 S169 V171 | S105-Q107 PolarHBondContact O-N 3.12Å; S105-Q107 VanDerWaalsContact O-N 3.12Å; S105-Q107 PolarHBondContact OG-O 2.97Å; Q107-S169 WeakPolarHBondContact CB-O 3.34Å; Q107-S169 WeakPolarHBondContact CG-OG 3.39Å; Q107-S169 PolarHBondContact OE1-O 3.06Å; Q107-S169 PolarHBondContact OE1-OG 3.28Å; Q107-S169 VanDerWaalsContact OE1-OG 3.14Å; Q107-V171 HydrophobicContact CB-CG1 3.72Å; Q107-V171 HydrophobicContact CB-CG2 4.05Å; Q107-V171 HydrophobicContact CG-CG1 4.25Å |
| 108 | P | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -53 | 138.9 | 169.6 | -27.6 | 36.9 | 0 | 0 | 0 | 111.5 | F128 V134 Q138 I163 Y168 S169 I170 V171 | P108-F128 HydrophobicContact CB-CE1 4.44Å; P108-F128 HydrophobicContact CB-CZ 3.82Å; P108-V134 HydrophobicContact CB-CG2 4.43Å; P108-Q138 HydrophobicContact CG-CG 4.36Å; P108-I163 HydrophobicContact CB-CD1 4.29Å; P108-I163 HydrophobicContact CB-CG2 4.45Å; P108-I163 HydrophobicContact CG-CD1 3.78Å; P108-I163 HydrophobicContact CG-CG1 4.34Å; P108-I163 HydrophobicContact CG-CG2 4.07Å; P108-Y168 HydrophobicContact CG-CG 4.27Å; P108-S169 WeakPolarHBondContact CD-O 3.4Å; P108-I170 WeakPolarHBondContact O-CA 3.36Å; P108-V171 WeakPolarHBondContact O-CG2 3.19Å; P108-V171 PolarHBondContact O-N 3.14Å | ||
| 109 | R | 98.5 | Very high | 97.6 | Very high | 32 Ų | 32 | 46.6 Ų | 46.6 | 12% | 0.121 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 129.8 | -172.3 | 179.9 | 177.2 | -61.2 | -79.6 | -13 | 111.3 | S105 L111 I132 A133 V171 | S105-R109 PolarHBondContact OG-NH2 3.3Å; R109-L111 HydrophobicContact CG-CD2 4Å; R109-L111 HydrophobicContact CG-CG 4.32Å; R109-I132 CarbonylContact O-C 3.51Å; R109-I132 VanDerWaalsContact O-CA 3.26Å; R109-I132 WeakPolarHBondContact O-CA 3.47Å; R109-A133 HydrophobicContact CB-CB 4.2Å; R109-A133 PolarHBondContact N-O 3.43Å; R109-A133 PolarHBondContact O-N 3.29Å; R109-V171 CarbonylContact C-O 3.6Å; R109-V171 VanDerWaalsContact CA-O 3.29Å; R109-V171 WeakPolarHBondContact CA-O 3.39Å; R109-V171 HydrophobicContact CB-CG2 3.94Å; R109-V171 HydrophobicContact CG-CG2 4.27Å |
| 110 | H | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 116 | 167.3 | -177.3 | -143.6 | 0 | 0 | 0 | 108.1 | S112 V113 F128 G129 I170 V171 R172 | H110-S112 PolarHBondContact CE1-O 2.98Å; H110-S112 PolarHBondContact NE2-O 3.38Å; H110-S112 VanDerWaalsContact NE2-O 3.12Å; H110-S112 PolarHBondContact NE2-OG 3.45Å; H110-V113 WeakPolarHBondContact O-CG2 3.5Å; H110-F128 HydrophobicContact CB-CD2 3.76Å; H110-F128 HydrophobicContact CB-CE2 3.83Å; H110-G129 PolarHBondContact CD2-O 3.07Å; H110-G129 PolarHBondContact NE2-O 3.28Å; H110-G129 VanDerWaalsContact NE2-O 3.17Å; H110-I170 HydrophobicContact CB-CG2 3.81Å; H110-V171 PolarHBondContact N-O 2.87Å; H110-R172 HydrophobicContact CB-CG 3.87Å; H110-R172 PolarHBondContact ND1-NE 3.47Å |
| 111 | L | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | -89.6 | -41.2 | -176.9 | -68.3 | 167.6 | 0 | 0 | 0 | 111.1 | I87 N100 Y102 R109 V113 V131 A133 Y173 Y180 | I87-L111 HydrophobicContact CD1-CD1 4.26Å; I87-L111 HydrophobicContact CG2-CD1 3.98Å; N100-L111 PolarHBondContact ND2-O 3.48Å; N100-L111 VanDerWaalsContact ND2-O 3.11Å; N100-L111 VanDerWaalsContact OD1-CD2 3.24Å; N100-L111 WeakPolarHBondContact OD1-CD2 3.49Å; Y102-L111 HydrophobicContact CD1-CD1 4.44Å; Y102-L111 HydrophobicContact CD2-CD1 4.01Å; Y102-L111 HydrophobicContact CD2-CD2 4.41Å; Y102-L111 HydrophobicContact CE2-CD1 4.13Å; Y102-L111 HydrophobicContact CG-CD1 4.19Å; R109-L111 HydrophobicContact CG-CD2 4Å; R109-L111 HydrophobicContact CG-CG 4.32Å; L111-V113 VanDerWaalsContact C-N 3.33Å; L111-V113 PolarHBondContact O-N 3.49Å; L111-V113 VanDerWaalsContact O-N 3.13Å; L111-V131 HydrophobicContact CB-CB 4.16Å; L111-V131 HydrophobicContact CB-CG1 4Å; L111-V131 WeakPolarHBondContact CB-O 3.48Å; L111-V131 HydrophobicContact CD1-CG1 3.88Å; L111-V131 PolarHBondContact N-O 2.91Å; L111-A133 HydrophobicContact CD1-CB 4.04Å; L111-A133 HydrophobicContact CG-CB 4.48Å; L111-Y173 HydrophobicContact CD2-CD2 4.33Å; L111-Y173 HydrophobicContact CD2-CE2 4.01Å; L111-Y180 VanDerWaalsContact O-CE2 3.23Å; L111-Y180 WeakPolarHBondContact O-CE2 3.49Å | ||
| 112 | S | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -87.9 | 59.6 | -178 | 58.6 | 0 | 0 | 0 | 0 | 114 | H110 G129 V131 Y180 | H110-S112 PolarHBondContact CE1-O 2.98Å; H110-S112 PolarHBondContact NE2-O 3.38Å; H110-S112 VanDerWaalsContact NE2-O 3.12Å; H110-S112 PolarHBondContact NE2-OG 3.45Å; S112-G129 PolarHBondContact OG-O 2.94Å; S112-V131 PolarHBondContact N-O 2.86Å; S112-V131 PolarHBondContact OG-N 3.13Å; S112-Y180 VanDerWaalsContact CA-CE2 3.44Å | ||
| 113 | V | 97.6 | Very high | 97.2 | Very high | 6 Ų | 6 | 51.7 Ų | 51.7 | 4% | 0.036 | 24% | 0.244 | C | C | . | . | trans | -69.5 | -42.7 | -175.7 | -175.5 | 0 | 0 | 0 | 0 | 111.9 | H110 L111 L122 R172 E175 A178 | H110-V113 WeakPolarHBondContact O-CG2 3.5Å; L111-V113 VanDerWaalsContact C-N 3.33Å; L111-V113 PolarHBondContact O-N 3.49Å; L111-V113 VanDerWaalsContact O-N 3.13Å; V113-L122 HydrophobicContact CG1-CB 4.27Å; V113-L122 HydrophobicContact CG1-CD1 4.23Å; V113-R172 HydrophobicContact CG2-CB 3.82Å; V113-R172 HydrophobicContact CG2-CG 3.66Å; V113-E175 HydrophobicContact CG1-CG 4.07Å; V113-A178 HydrophobicContact CB-CB 3.63Å; V113-A178 HydrophobicContact CG2-CB 3.65Å | ||
| 114 | S | 97.3 | Very high | 97.2 | Very high | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.014 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 91.9 | -167.9 | 180 | 0 | 0 | 0 | 0 | 109.9 | Y120 E175 A178 R179 Y180 | S114-Y120 WeakPolarHBondContact OG-CA 3.48Å; S114-Y120 WeakPolarHBondContact OG-CB 3.36Å; S114-Y120 PolarHBondContact OG-O 2.81Å; S114-E175 WeakPolarHBondContact CB-O 3.26Å; S114-A178 PolarHBondContact N-O 2.72Å; S114-R179 CarbonylContact O-C 3.51Å; S114-R179 VanDerWaalsContact O-CA 3.22Å; S114-R179 WeakPolarHBondContact O-CA 3.31Å; S114-Y180 PolarHBondContact O-N 2.85Å |
| 115 | I | 98.1 | Very high | 97.1 | Very high | 12 Ų | 12 | 55 Ų | 55 | 6% | 0.062 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 136.2 | -176.2 | -54.7 | 167.4 | 0 | 0 | 0 | 109.8 | L93 K117 Y118 Y120 Y180 M182 | L93-I115 HydrophobicContact CD1-CD1 4.17Å; L93-I115 HydrophobicContact CD2-CD1 4.02Å; L93-I115 HydrophobicContact CD2-CG1 4.28Å; L93-I115 HydrophobicContact CD2-CG2 3.85Å; I115-K117 VanDerWaalsContact C-N 3.25Å; I115-K117 HydrophobicContact CG2-CB 4.16Å; I115-K117 PolarHBondContact O-N 2.87Å; I115-Y118 HydrophobicContact CB-CD2 3.96Å; I115-Y118 HydrophobicContact CB-CE2 4.44Å; I115-Y118 HydrophobicContact CD1-CD2 4.36Å; I115-Y118 HydrophobicContact CD1-CE2 4.2Å; I115-Y118 HydrophobicContact CG2-CD2 4.46Å; I115-Y118 CarbonylContact O-C 3.59Å; I115-Y118 PolarHBondContact O-N 3.23Å; I115-Y120 PolarHBondContact O-N 3.15Å; I115-Y180 WeakPolarHBondContact CA-O 3.3Å; I115-M182 HydrophobicContact CG2-CB 3.92Å |
| 116 | D | 97.6 | Very high | 97 | Very high | 39 Ų | 39 | 57.9 Ų | 57.9 | 21% | 0.209 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -53 | -39.1 | -178.4 | 75.8 | -35.4 | 0 | 0 | 0 | 113.6 | Y118 N119 Y120 Y180 M182 | D116-Y118 PolarHBondContact O-N 2.87Å; D116-Y118 VanDerWaalsContact O-N 3.16Å; D116-N119 WeakPolarHBondContact O-CA 3.36Å; D116-N119 PolarHBondContact O-N 3.41Å; D116-Y120 HydrophobicContact CB-CE1 3.77Å; D116-Y120 HydrophobicContact CB-CE2 3.87Å; D116-Y120 VanDerWaalsContact CB-CZ 3.4Å; D116-Y120 WeakPolarHBondContact CB-OH 3.28Å; D116-Y180 PolarHBondContact N-O 2.86Å; D116-M182 PolarHBondContact OD1-N 2.95Å |
| 117 | K | 96.2 | Very high | 97 | Very high | 105 Ų | 105 | 50.4 Ų | 50.4 | 46% | 0.457 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -55.7 | -30.2 | 175.4 | 178.5 | 176.6 | 173.4 | -171.1 | 0 | 113.4 | I115 M182 | I115-K117 VanDerWaalsContact C-N 3.25Å; I115-K117 HydrophobicContact CG2-CB 4.16Å; I115-K117 PolarHBondContact O-N 2.87Å; K117-M182 HydrophobicContact CB-CB 4.37Å; K117-M182 HydrophobicContact CB-SD 4.42Å; K117-M182 HydrophobicContact CD-SD 3.33Å; K117-M182 WeakPolarHBondContact CD-SD 3.33Å |
| 118 | Y | 95.5 | Very high | 96.9 | Very high | 76 Ų | 76 | 47.9 Ų | 47.9 | 30% | 0.298 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -105.7 | 29.5 | 178.2 | -50.2 | -60.8 | 0 | 0 | 0 | 111.1 | I115 D116 Y120 Q121 I123 | I115-Y118 HydrophobicContact CB-CD2 3.96Å; I115-Y118 HydrophobicContact CB-CE2 4.44Å; I115-Y118 HydrophobicContact CD1-CD2 4.36Å; I115-Y118 HydrophobicContact CD1-CE2 4.2Å; I115-Y118 HydrophobicContact CG2-CD2 4.46Å; I115-Y118 CarbonylContact O-C 3.59Å; I115-Y118 PolarHBondContact O-N 3.23Å; D116-Y118 PolarHBondContact O-N 2.87Å; D116-Y118 VanDerWaalsContact O-N 3.16Å; Y118-Y120 PolarHBondContact O-N 3.49Å; Y118-Q121 PolarHBondContact O-N 3.36Å; Y118-Q121 VanDerWaalsContact O-N 3.12Å; Y118-I123 HydrophobicContact CD1-CD1 4.29Å; Y118-I123 HydrophobicContact CD1-CG1 4.27Å; Y118-I123 HydrophobicContact CD2-CD1 3.51Å; Y118-I123 HydrophobicContact CD2-CG1 3.56Å; Y118-I123 HydrophobicContact CE1-CD1 4.06Å; Y118-I123 HydrophobicContact CE2-CD1 3.25Å; Y118-I123 HydrophobicContact CE2-CG1 3.9Å; Y118-I123 HydrophobicContact CG-CD1 4.04Å; Y118-I123 HydrophobicContact CG-CG1 3.79Å |
| 119 | N | 96.2 | Very high | 96.8 | Very high | 133 Ų | 133 | 48.1 Ų | 48.1 | 71% | 0.711 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 35.5 | -178.4 | -60.6 | -46.7 | 0 | 0 | 0 | 113.4 | D116 Q121 | D116-N119 WeakPolarHBondContact O-CA 3.36Å; D116-N119 PolarHBondContact O-N 3.41Å; N119-Q121 VanDerWaalsContact C-N 3.26Å; N119-Q121 PolarHBondContact O-N 2.94Å |
| 120 | Y | 97 | Very high | 96.8 | Very high | 61 Ų | 61 | 47 Ų | 47 | 24% | 0.239 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 32.6 | -179.4 | -63.7 | -71.7 | 0 | 0 | 0 | 114 | E96 S114 I115 D116 Y118 R179 | E96-Y120 PolarHBondContact OE1-OH 2.93Å; E96-Y120 WeakPolarHBondContact OE2-CE1 3.5Å; E96-Y120 PolarHBondContact OE2-OH 3.14Å; S114-Y120 WeakPolarHBondContact OG-CA 3.48Å; S114-Y120 WeakPolarHBondContact OG-CB 3.36Å; S114-Y120 PolarHBondContact OG-O 2.81Å; I115-Y120 PolarHBondContact O-N 3.15Å; D116-Y120 HydrophobicContact CB-CE1 3.77Å; D116-Y120 HydrophobicContact CB-CE2 3.87Å; D116-Y120 VanDerWaalsContact CB-CZ 3.4Å; D116-Y120 WeakPolarHBondContact CB-OH 3.28Å; Y118-Y120 PolarHBondContact O-N 3.49Å; Y120-R179 HydrophobicContact CD1-CB 4.13Å; Y120-R179 HydrophobicContact CD1-CG 4.12Å; Y120-R179 HydrophobicContact CE1-CB 4.1Å; Y120-R179 HydrophobicContact CE1-CG 4.48Å |
| 121 | Q | 95.1 | Very high | 96.8 | Very high | 126 Ų | 126 | 47 Ų | 47 | 59% | 0.589 | 22% | 0.223 | S | C | * | . | B | Isolated β-bridge | trans | -117.7 | 146.5 | 175.1 | -63.6 | -176.4 | -34.6 | 0 | 0 | 110.8 | Y118 N119 I123 | Y118-Q121 PolarHBondContact O-N 3.36Å; Y118-Q121 VanDerWaalsContact O-N 3.12Å; N119-Q121 VanDerWaalsContact C-N 3.26Å; N119-Q121 PolarHBondContact O-N 2.94Å; Q121-I123 PolarHBondContact O-N 2.77Å |
| 122 | L | 95.5 | Very high | 96.8 | Very high | 35 Ų | 35 | 47.2 Ų | 47.2 | 18% | 0.183 | 22% | 0.224 | C | C | . | . | trans | -63.6 | 129.4 | 166.8 | -176.4 | 62.6 | 0 | 0 | 0 | 109.6 | V113 Y124 N127 E175 | V113-L122 HydrophobicContact CG1-CB 4.27Å; V113-L122 HydrophobicContact CG1-CD1 4.23Å; L122-Y124 WeakPolarHBondContact CG-O 3.22Å; L122-N127 HydrophobicContact CD1-CB 4.14Å; L122-E175 PolarHBondContact N-OE1 2.98Å | ||
| 123 | I | 94.2 | Very high | 96.9 | Very high | 77 Ų | 77 | 47.2 Ų | 47.2 | 40% | 0.395 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -67 | -44.2 | -172.6 | -42.5 | 173 | 0 | 0 | 0 | 111.3 | Y118 Q121 | Y118-I123 HydrophobicContact CD1-CD1 4.29Å; Y118-I123 HydrophobicContact CD1-CG1 4.27Å; Y118-I123 HydrophobicContact CD2-CD1 3.51Å; Y118-I123 HydrophobicContact CD2-CG1 3.56Å; Y118-I123 HydrophobicContact CE1-CD1 4.06Å; Y118-I123 HydrophobicContact CE2-CD1 3.25Å; Y118-I123 HydrophobicContact CE2-CG1 3.9Å; Y118-I123 HydrophobicContact CG-CD1 4.04Å; Y118-I123 HydrophobicContact CG-CG1 3.79Å; Q121-I123 PolarHBondContact O-N 2.77Å |
| 124 | Y | 95.9 | Very high | 96.9 | Very high | 82 Ų | 82 | 47 Ų | 47 | 32% | 0.322 | 22% | 0.223 | S | C | . | . | trans | -162.7 | 160.5 | 173.8 | 54.5 | -88 | 0 | 0 | 0 | 108.8 | L122 E126 N127 D157 | L122-Y124 WeakPolarHBondContact CG-O 3.22Å; Y124-E126 VanDerWaalsContact C-N 3.31Å; Y124-E126 HydrophobicContact CD2-CB 3.89Å; Y124-E126 HydrophobicContact CE2-CB 3.97Å; Y124-E126 PolarHBondContact O-N 3.14Å; Y124-N127 HydrophobicContact CD1-CB 4.24Å; Y124-N127 HydrophobicContact CD2-CB 3.94Å; Y124-N127 VanDerWaalsContact CD2-N 3.28Å; Y124-N127 HydrophobicContact CE1-CB 3.97Å; Y124-N127 HydrophobicContact CE2-CB 3.67Å; Y124-N127 HydrophobicContact CG-CB 4.19Å; Y124-N127 WeakPolarHBondContact O-CB 3.47Å; Y124-N127 PolarHBondContact O-N 2.86Å; Y124-N127 VanDerWaalsContact O-N 3.11Å; Y124-D157 PolarHBondContact OH-OD1 3.08Å | ||
| 125 | E | 95.8 | Very high | 97 | Very high | 119 Ų | 119 | 48.3 Ų | 48.3 | 56% | 0.556 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -34.2 | -169.1 | -175.1 | 54.5 | -141.2 | 0 | 0 | 113 | N127 R172 | E125-N127 VanDerWaalsContact C-N 3.25Å; E125-N127 PolarHBondContact O-N 2.92Å; E125-R172 PolarHBondContact O-NH1 3Å; E125-R172 VanDerWaalsContact O-NH1 3.16Å; E125-R172 PolarHBondContact O-NH2 3.41Å; E125-R172 IonicContact OE1-NH1 2.74Å; E125-R172 PolarHBondContact OE1-NH1 3.31Å; E125-R172 IonicContact OE2-NH1 3.59Å |
| 126 | E | 96.6 | Very high | 97 | Very high | 90 Ų | 90 | 48.8 Ų | 48.8 | 42% | 0.421 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -5.8 | 179.5 | -58.9 | 79.5 | -177.5 | 0 | 0 | 113.1 | Y124 F128 Y160 | Y124-E126 VanDerWaalsContact C-N 3.31Å; Y124-E126 HydrophobicContact CD2-CB 3.89Å; Y124-E126 HydrophobicContact CE2-CB 3.97Å; Y124-E126 PolarHBondContact O-N 3.14Å; E126-F128 PolarHBondContact O-N 2.76Å; E126-Y160 HydrophobicContact CB-CD1 4.07Å; E126-Y160 HydrophobicContact CB-CD2 4.21Å; E126-Y160 HydrophobicContact CB-CE1 3.78Å; E126-Y160 HydrophobicContact CB-CE2 3.97Å; E126-Y160 HydrophobicContact CB-CG 4.3Å; E126-Y160 HydrophobicContact CG-CD1 4.43Å; E126-Y160 HydrophobicContact CG-CE1 3.68Å; E126-Y160 HydrophobicContact CG-CE2 4.3Å; E126-Y160 WeakPolarHBondContact O-CD2 3.3Å |
| 127 | N | 96.6 | Very high | 97.1 | Very high | 7 Ų | 7 | 53.5 Ų | 53.5 | 4% | 0.037 | 25% | 0.252 | C | S | . | . | trans | -61.6 | 125 | -175.5 | 177.1 | 39 | 0 | 0 | 0 | 111 | L122 Y124 E125 G129 R172 | L122-N127 HydrophobicContact CD1-CB 4.14Å; Y124-N127 HydrophobicContact CD1-CB 4.24Å; Y124-N127 HydrophobicContact CD2-CB 3.94Å; Y124-N127 VanDerWaalsContact CD2-N 3.28Å; Y124-N127 HydrophobicContact CE1-CB 3.97Å; Y124-N127 HydrophobicContact CE2-CB 3.67Å; Y124-N127 HydrophobicContact CG-CB 4.19Å; Y124-N127 WeakPolarHBondContact O-CB 3.47Å; Y124-N127 PolarHBondContact O-N 2.86Å; Y124-N127 VanDerWaalsContact O-N 3.11Å; E125-N127 VanDerWaalsContact C-N 3.25Å; E125-N127 PolarHBondContact O-N 2.92Å; N127-G129 PolarHBondContact OD1-N 3.1Å; N127-R172 PolarHBondContact O-NH2 3.25Å | ||
| 128 | F | 97.6 | Very high | 97.2 | Very high | 4 Ų | 4 | 48.6 Ų | 48.6 | 2% | 0.018 | 23% | 0.23 | C | C | . | . | trans | -135.6 | 28.3 | 178.2 | -156.2 | -136.7 | 0 | 0 | 0 | 112.8 | P108 H110 E126 I132 F159 Y160 I163 I170 | P108-F128 HydrophobicContact CB-CE1 4.44Å; P108-F128 HydrophobicContact CB-CZ 3.82Å; H110-F128 HydrophobicContact CB-CD2 3.76Å; H110-F128 HydrophobicContact CB-CE2 3.83Å; E126-F128 PolarHBondContact O-N 2.76Å; F128-I132 HydrophobicContact CD1-CD1 4.04Å; F128-I132 HydrophobicContact CD1-CG2 4.22Å; F128-I132 HydrophobicContact CD2-CB 4.42Å; F128-I132 HydrophobicContact CD2-CG2 3.49Å; F128-I132 VanDerWaalsContact CD2-CG2 3.49Å; F128-I132 HydrophobicContact CE1-CB 4.32Å; F128-I132 HydrophobicContact CE1-CD1 3.53Å; F128-I132 HydrophobicContact CE1-CG2 4.15Å; F128-I132 HydrophobicContact CE2-CB 3.86Å; F128-I132 HydrophobicContact CE2-CG2 3.4Å; F128-I132 VanDerWaalsContact CE2-CG2 3.4Å; F128-I132 HydrophobicContact CG-CG2 3.91Å; F128-I132 HydrophobicContact CZ-CB 3.78Å; F128-I132 HydrophobicContact CZ-CD1 3.82Å; F128-I132 HydrophobicContact CZ-CG1 4.42Å; F128-I132 HydrophobicContact CZ-CG2 3.74Å; F128-I132 WeakPolarHBondContact O-CG2 3.43Å; F128-F159 AromaticContact CD1-CD1 3.71Å; F128-F159 HydrophobicContact CD1-CD1 3.71Å; F128-F159 HydrophobicContact CD1-CE1 4.26Å; F128-F159 AromaticContact CE1-CD1 3.62Å; F128-F159 HydrophobicContact CE1-CD1 3.62Å; F128-F159 AromaticContact CE1-CE1 3.68Å; F128-F159 HydrophobicContact CE1-CE1 3.68Å; F128-Y160 HydrophobicContact CB-CD2 4.4Å; F128-I163 HydrophobicContact CD1-CG1 4.47Å; F128-I163 HydrophobicContact CE1-CG1 3.95Å; F128-I170 HydrophobicContact CB-CD1 3.9Å; F128-I170 HydrophobicContact CD1-CD1 4.1Å; F128-I170 HydrophobicContact CD2-CD1 3.41Å; F128-I170 VanDerWaalsContact CD2-CD1 3.41Å; F128-I170 HydrophobicContact CD2-CG1 4.04Å; F128-I170 HydrophobicContact CD2-CG2 4.14Å; F128-I170 HydrophobicContact CE1-CD1 4.49Å; F128-I170 HydrophobicContact CE2-CD1 3.88Å; F128-I170 HydrophobicContact CE2-CG1 3.98Å; F128-I170 HydrophobicContact CE2-CG2 4.03Å; F128-I170 HydrophobicContact CG-CD1 3.56Å; F128-I170 HydrophobicContact CG-CG1 4.47Å; F128-I170 HydrophobicContact CZ-CD1 4.41Å; F128-I170 HydrophobicContact CZ-CG1 4.36Å | ||
| 129 | G | 97.1 | Very high | 97.4 | Very high | 5 Ų | 5 | 45 Ų | 45 | 5% | 0.052 | 22% | 0.216 | C | C | . | . | trans | -86.3 | -173.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | H110 S112 N127 V131 D156 | H110-G129 PolarHBondContact CD2-O 3.07Å; H110-G129 PolarHBondContact NE2-O 3.28Å; H110-G129 VanDerWaalsContact NE2-O 3.17Å; S112-G129 PolarHBondContact OG-O 2.94Å; N127-G129 PolarHBondContact OD1-N 3.1Å; G129-V131 PolarHBondContact O-N 2.77Å; G129-D156 WeakPolarHBondContact CA-OD2 3.22Å | ||
| 130 | G | 98.1 | Very high | 97.5 | Very high | 9 Ų | 9 | 42 Ų | 42 | 9% | 0.093 | 20% | 0.198 | C | C | . | . | S | Bend | trans | 73.8 | -94.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | R66 D90 | R66-G130 PolarHBondContact NH2-O 3.38Å; D90-G130 PolarHBondContact N-O 3.28Å; D90-G130 VanDerWaalsContact N-O 3.15Å; D90-G130 WeakPolarHBondContact OD2-CA 3.46Å |
| 131 | V | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 121.2 | -177 | -166.7 | 0 | 0 | 0 | 0 | 110.8 | I87 F88 H89 L93 Y102 L111 S112 G129 Y180 | I87-V131 HydrophobicContact CG2-CG1 3.88Å; F88-V131 VanDerWaalsContact O-CA 3.3Å; F88-V131 WeakPolarHBondContact O-CA 3.36Å; H89-V131 HydrophobicContact CB-CG1 4.32Å; H89-V131 WeakPolarHBondContact CD2-CG1 3.41Å; H89-V131 WeakPolarHBondContact CE1-CG2 3.45Å; L93-V131 HydrophobicContact CB-CG2 3.99Å; L93-V131 HydrophobicContact CD1-CG2 3.81Å; Y102-V131 HydrophobicContact CE1-CG1 4.38Å; L111-V131 HydrophobicContact CB-CB 4.16Å; L111-V131 HydrophobicContact CB-CG1 4Å; L111-V131 WeakPolarHBondContact CB-O 3.48Å; L111-V131 HydrophobicContact CD1-CG1 3.88Å; L111-V131 PolarHBondContact N-O 2.91Å; S112-V131 PolarHBondContact N-O 2.86Å; S112-V131 PolarHBondContact OG-N 3.13Å; G129-V131 PolarHBondContact O-N 2.77Å; V131-Y180 HydrophobicContact CB-CE1 4.4Å; V131-Y180 HydrophobicContact CG2-CD1 4.42Å; V131-Y180 HydrophobicContact CG2-CE1 3.79Å |
| 132 | I | 98.8 | Very high | 97.7 | Very high | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 154.5 | 179.2 | 65.9 | 165.8 | 0 | 0 | 0 | 111.5 | I87 F88 R109 F128 V134 F145 F159 | I87-I132 CarbonylContact C-O 3.51Å; I87-I132 VanDerWaalsContact CA-O 3.3Å; I87-I132 WeakPolarHBondContact CA-O 3.13Å; F88-I132 HydrophobicContact CB-CG1 3.89Å; F88-I132 HydrophobicContact CD2-CD1 4.1Å; F88-I132 HydrophobicContact CD2-CG1 4Å; F88-I132 HydrophobicContact CG-CG1 4.44Å; F88-I132 PolarHBondContact N-O 3.49Å; F88-I132 PolarHBondContact O-N 3.27Å; R109-I132 CarbonylContact O-C 3.51Å; R109-I132 VanDerWaalsContact O-CA 3.26Å; R109-I132 WeakPolarHBondContact O-CA 3.47Å; F128-I132 HydrophobicContact CD1-CD1 4.04Å; F128-I132 HydrophobicContact CD1-CG2 4.22Å; F128-I132 HydrophobicContact CD2-CB 4.42Å; F128-I132 HydrophobicContact CD2-CG2 3.49Å; F128-I132 VanDerWaalsContact CD2-CG2 3.49Å; F128-I132 HydrophobicContact CE1-CB 4.32Å; F128-I132 HydrophobicContact CE1-CD1 3.53Å; F128-I132 HydrophobicContact CE1-CG2 4.15Å; F128-I132 HydrophobicContact CE2-CB 3.86Å; F128-I132 HydrophobicContact CE2-CG2 3.4Å; F128-I132 VanDerWaalsContact CE2-CG2 3.4Å; F128-I132 HydrophobicContact CG-CG2 3.91Å; F128-I132 HydrophobicContact CZ-CB 3.78Å; F128-I132 HydrophobicContact CZ-CD1 3.82Å; F128-I132 HydrophobicContact CZ-CG1 4.42Å; F128-I132 HydrophobicContact CZ-CG2 3.74Å; F128-I132 WeakPolarHBondContact O-CG2 3.43Å; I132-V134 HydrophobicContact CD1-CG2 3.88Å; I132-V134 HydrophobicContact CG1-CG2 4.39Å; I132-F145 HydrophobicContact CD1-CE1 4.37Å; I132-F145 HydrophobicContact CD1-CZ 3.93Å; I132-F159 HydrophobicContact CD1-CD1 3.76Å; I132-F159 HydrophobicContact CD1-CE1 3.52Å |
| 133 | A | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 129.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | F86 I87 R109 L111 | F86-A133 WeakPolarHBondContact O-CA 3.33Å; I87-A133 HydrophobicContact CD1-CB 3.39Å; R109-A133 HydrophobicContact CB-CB 4.2Å; R109-A133 PolarHBondContact N-O 3.43Å; R109-A133 PolarHBondContact O-N 3.29Å; L111-A133 HydrophobicContact CD1-CB 4.04Å; L111-A133 HydrophobicContact CG-CB 4.48Å |
| 134 | V | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 128.4 | -179.9 | -169.6 | 0 | 0 | 0 | 0 | 108.1 | F86 F88 C104 P108 I132 Q138 F139 F159 | F86-V134 WeakPolarHBondContact CB-O 3.41Å; F86-V134 PolarHBondContact N-O 2.86Å; F86-V134 PolarHBondContact O-N 3.29Å; F88-V134 HydrophobicContact CD2-CG2 4.48Å; F88-V134 HydrophobicContact CE2-CB 4.39Å; F88-V134 HydrophobicContact CE2-CG2 4.41Å; C104-V134 PolarHBondContact SG-O 3.41Å; P108-V134 HydrophobicContact CB-CG2 4.43Å; I132-V134 HydrophobicContact CD1-CG2 3.88Å; I132-V134 HydrophobicContact CG1-CG2 4.39Å; V134-Q138 HydrophobicContact CG1-CB 3.46Å; V134-Q138 VanDerWaalsContact CG1-CB 3.46Å; V134-F139 HydrophobicContact CG1-CB 4.02Å; V134-F139 HydrophobicContact CG1-CD2 4.48Å; V134-F159 HydrophobicContact CG2-CE1 3.97Å; V134-F159 HydrophobicContact CG2-CZ 4.25Å |
| 135 | N | 98.7 | Very high | 98.2 | Very high | 30 Ų | 30 | 29 Ų | 29 | 16% | 0.16 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 160.1 | 175.4 | 74.3 | 40.2 | 0 | 0 | 0 | 110.3 | D84 C104 S105 Q137 Q138 F139 | D84-N135 WeakPolarHBondContact O-CA 3.42Å; C104-N135 HydrophobicContact CB-CB 3.91Å; C104-N135 PolarHBondContact SG-N 2.8Å; C104-N135 VanDerWaalsContact SG-N 3.4Å; S105-N135 PolarHBondContact O-ND2 2.96Å; N135-Q137 VanDerWaalsContact C-N 3.3Å; N135-Q137 PolarHBondContact O-N 3.11Å; N135-Q137 PolarHBondContact OD1-N 3.33Å; N135-Q137 VanDerWaalsContact OD1-N 3.14Å; N135-Q138 PolarHBondContact ND2-NE2 3.3Å; N135-Q138 VanDerWaalsContact ND2-NE2 3.15Å; N135-Q138 PolarHBondContact O-N 3.35Å; N135-Q138 WeakPolarHBondContact OD1-CB 3.49Å; N135-Q138 VanDerWaalsContact OD1-CG 3.28Å; N135-Q138 WeakPolarHBondContact OD1-CG 3.39Å; N135-Q138 PolarHBondContact OD1-N 3.2Å; N135-F139 PolarHBondContact O-N 3.17Å |
| 136 | R | 98.7 | Very high | 98.3 | Very high | 22 Ų | 22 | 23.4 Ų | 23.4 | 8% | 0.083 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -52.8 | -47.1 | -178.4 | 176.9 | 171.7 | -77.3 | -83.7 | 0.7 | 112.6 | F74 Y82 F83 D84 F86 Q138 F139 E140 | F74-R136 HydrophobicContact CE2-CG 4.3Å; F74-R136 HydrophobicContact CZ-CG 4.46Å; F74-R136 VanDerWaalsContact CZ-NH1 3.29Å; Y82-R136 WeakPolarHBondContact OH-CD 3.44Å; F83-R136 PolarHBondContact O-NE 3.32Å; D84-R136 PolarHBondContact O-N 3.22Å; F86-R136 HydrophobicContact CE2-CB 4.03Å; F86-R136 HydrophobicContact CE2-CG 4.47Å; R136-Q138 PolarHBondContact O-N 3.31Å; R136-F139 PolarHBondContact O-N 2.75Å; R136-E140 WeakPolarHBondContact CD-OE1 3.49Å; R136-E140 VanDerWaalsContact CG-CD 3.43Å; R136-E140 HydrophobicContact CG-CG 4.16Å; R136-E140 VanDerWaalsContact CG-OE1 3.23Å; R136-E140 WeakPolarHBondContact CG-OE1 3.39Å; R136-E140 IonicContact CZ-OE1 3.8Å; R136-E140 IonicContact NH1-OE1 3.19Å; R136-E140 PolarHBondContact NH1-OE1 3.5Å; R136-E140 WeakPolarHBondContact O-CB 3.5Å; R136-E140 WeakPolarHBondContact O-CG 3.47Å; R136-E140 PolarHBondContact O-N 3.47Å |
| 137 | Q | 98.6 | Very high | 98.4 | Very high | 139 Ų | 139 | 19.7 Ų | 19.7 | 65% | 0.65 | 10% | 0.095 | S | C | * | . | H | α-helix | trans | -62.2 | -43.8 | -177.4 | -174.8 | -172.6 | 14.6 | 0 | 0 | 111.8 | N135 K141 | N135-Q137 VanDerWaalsContact C-N 3.3Å; N135-Q137 PolarHBondContact O-N 3.11Å; N135-Q137 PolarHBondContact OD1-N 3.33Å; N135-Q137 VanDerWaalsContact OD1-N 3.14Å; Q137-K141 WeakPolarHBondContact O-CB 3.41Å; Q137-K141 PolarHBondContact O-N 3.35Å |
| 138 | Q | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60 | -49.8 | 174.9 | -73.6 | 158.9 | -4.8 | 0 | 0 | 110 | S105 E106 P108 V134 N135 R136 E140 K141 V142 Y168 | S105-Q138 PolarHBondContact O-NE2 3.11Å; E106-Q138 PolarHBondContact O-NE2 3.18Å; P108-Q138 HydrophobicContact CG-CG 4.36Å; V134-Q138 HydrophobicContact CG1-CB 3.46Å; V134-Q138 VanDerWaalsContact CG1-CB 3.46Å; N135-Q138 PolarHBondContact ND2-NE2 3.3Å; N135-Q138 VanDerWaalsContact ND2-NE2 3.15Å; N135-Q138 PolarHBondContact O-N 3.35Å; N135-Q138 WeakPolarHBondContact OD1-CB 3.49Å; N135-Q138 VanDerWaalsContact OD1-CG 3.28Å; N135-Q138 WeakPolarHBondContact OD1-CG 3.39Å; N135-Q138 PolarHBondContact OD1-N 3.2Å; R136-Q138 PolarHBondContact O-N 3.31Å; Q138-E140 PolarHBondContact O-N 3.16Å; Q138-K141 PolarHBondContact O-N 2.93Å; Q138-V142 WeakPolarHBondContact O-CG1 3.47Å; Q138-V142 WeakPolarHBondContact O-CG2 3.23Å; Q138-V142 PolarHBondContact O-N 3.16Å; Q138-Y168 HydrophobicContact CB-CE2 4.36Å; Q138-Y168 HydrophobicContact CG-CD1 4.28Å; Q138-Y168 HydrophobicContact CG-CE1 3.7Å; Q138-Y168 HydrophobicContact CG-CE2 4.15Å |
| 139 | F | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.4 | -46.7 | -178 | -167.1 | -95.1 | 0 | 0 | 0 | 112.1 | N71 F74 F88 V134 N135 R136 G143 G144 F145 F159 Y213 | N71-F139 WeakPolarHBondContact OD1-CZ 3.06Å; F74-F139 HydrophobicContact CB-CD1 4.31Å; F74-F139 HydrophobicContact CB-CE1 3.67Å; F74-F139 HydrophobicContact CB-CZ 4.09Å; F74-F139 AromaticContact CD1-CD1 3.83Å; F74-F139 HydrophobicContact CD1-CD1 3.83Å; F74-F139 AromaticContact CD1-CE1 3.57Å; F74-F139 HydrophobicContact CD1-CE1 3.57Å; F74-F139 AromaticContact CD2-CD1 3.41Å; F74-F139 HydrophobicContact CD2-CD1 3.41Å; F74-F139 VanDerWaalsContact CD2-CD1 3.41Å; F74-F139 AromaticContact CD2-CE1 3.69Å; F74-F139 HydrophobicContact CD2-CE1 3.69Å; F74-F139 HydrophobicContact CD2-CG 4.11Å; F74-F139 AromaticContact CE1-CD1 3.95Å; F74-F139 HydrophobicContact CE1-CD1 3.95Å; F74-F139 HydrophobicContact CE1-CE1 4.11Å; F74-F139 HydrophobicContact CE2-CB 4.35Å; F74-F139 AromaticContact CE2-CD1 3.54Å; F74-F139 HydrophobicContact CE2-CD1 3.54Å; F74-F139 HydrophobicContact CE2-CE1 4.22Å; F74-F139 HydrophobicContact CE2-CG 4.22Å; F74-F139 AromaticContact CG-CD1 3.57Å; F74-F139 HydrophobicContact CG-CD1 3.57Å; F74-F139 AromaticContact CG-CE1 3.34Å; F74-F139 HydrophobicContact CG-CE1 3.34Å; F74-F139 HydrophobicContact CG-CZ 4.23Å; F74-F139 AromaticContact CZ-CD1 3.82Å; F74-F139 HydrophobicContact CZ-CD1 3.82Å; F74-F139 HydrophobicContact CZ-CE1 4.41Å; F88-F139 HydrophobicContact CE1-CE2 4.09Å; F88-F139 HydrophobicContact CE1-CZ 4.33Å; F88-F139 AromaticContact CE2-CD2 3.55Å; F88-F139 HydrophobicContact CE2-CD2 3.55Å; F88-F139 AromaticContact CE2-CE2 3.47Å; F88-F139 HydrophobicContact CE2-CE2 3.47Å; F88-F139 VanDerWaalsContact CE2-CE2 3.47Å; F88-F139 HydrophobicContact CE2-CZ 4.42Å; F88-F139 AromaticContact CZ-CD2 3.56Å; F88-F139 HydrophobicContact CZ-CD2 3.56Å; F88-F139 AromaticContact CZ-CE2 3.17Å; F88-F139 HydrophobicContact CZ-CE2 3.17Å; F88-F139 HydrophobicContact CZ-CG 4.37Å; F88-F139 AromaticContact CZ-CZ 3.7Å; F88-F139 HydrophobicContact CZ-CZ 3.7Å; V134-F139 HydrophobicContact CG1-CB 4.02Å; V134-F139 HydrophobicContact CG1-CD2 4.48Å; N135-F139 PolarHBondContact O-N 3.17Å; R136-F139 PolarHBondContact O-N 2.75Å; F139-G143 PolarHBondContact O-N 3.09Å; F139-G144 PolarHBondContact O-N 3.39Å; F139-F145 AromaticContact CE2-CD2 3.62Å; F139-F145 HydrophobicContact CE2-CD2 3.62Å; F139-F145 AromaticContact CE2-CE2 3.54Å; F139-F145 HydrophobicContact CE2-CE2 3.54Å; F139-F145 AromaticContact CZ-CD2 3.86Å; F139-F145 HydrophobicContact CZ-CD2 3.86Å; F139-F145 HydrophobicContact CZ-CE2 4.15Å; F139-F159 HydrophobicContact CD2-CE2 4.39Å; F139-F159 HydrophobicContact CD2-CZ 4.05Å; F139-F159 HydrophobicContact CE2-CE2 4.28Å; F139-F159 HydrophobicContact CE2-CZ 4.22Å; F139-Y213 HydrophobicContact CD1-CD1 4.47Å; F139-Y213 HydrophobicContact CE1-CD1 4.19Å; F139-Y213 HydrophobicContact CE1-CG 4.33Å |
| 140 | E | 98.7 | Very high | 98.6 | Very high | 71 Ų | 71 | 25 Ų | 25 | 33% | 0.332 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -63.6 | -43.2 | 177 | -71.5 | 171.7 | 172.3 | 0 | 0 | 111.3 | F74 R136 Q138 V142 G143 | F74-E140 HydrophobicContact CE1-CG 4.37Å; F74-E140 HydrophobicContact CE2-CG 4.47Å; F74-E140 HydrophobicContact CZ-CG 3.63Å; R136-E140 WeakPolarHBondContact CD-OE1 3.49Å; R136-E140 VanDerWaalsContact CG-CD 3.43Å; R136-E140 HydrophobicContact CG-CG 4.16Å; R136-E140 VanDerWaalsContact CG-OE1 3.23Å; R136-E140 WeakPolarHBondContact CG-OE1 3.39Å; R136-E140 IonicContact CZ-OE1 3.8Å; R136-E140 IonicContact NH1-OE1 3.19Å; R136-E140 PolarHBondContact NH1-OE1 3.5Å; R136-E140 WeakPolarHBondContact O-CB 3.5Å; R136-E140 WeakPolarHBondContact O-CG 3.47Å; R136-E140 PolarHBondContact O-N 3.47Å; Q138-E140 PolarHBondContact O-N 3.16Å; E140-V142 PolarHBondContact O-N 3.17Å; E140-G143 PolarHBondContact O-N 3.31Å; E140-G143 VanDerWaalsContact O-N 3.16Å |
| 141 | K | 98.4 | Very high | 98.5 | Very high | 103 Ų | 103 | 24.8 Ų | 24.8 | 45% | 0.448 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -63.3 | -38.8 | -178.9 | -177 | 176.6 | 175 | -163.1 | 0 | 113 | Q137 Q138 G143 Y166 Y168 | Q137-K141 WeakPolarHBondContact O-CB 3.41Å; Q137-K141 PolarHBondContact O-N 3.35Å; Q138-K141 PolarHBondContact O-N 2.93Å; K141-G143 VanDerWaalsContact C-N 3.28Å; K141-Y166 HydrophobicContact CG-CD1 4.15Å; K141-Y168 HydrophobicContact CD-CE2 3.87Å; K141-Y168 WeakPolarHBondContact CD-OH 3.11Å |
| 142 | V | 98.5 | Very high | 98.5 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -85.9 | -4 | 178.7 | -53.2 | 0 | 0 | 0 | 0 | 113.5 | Q138 E140 F159 R162 I163 Y166 Y168 | Q138-V142 WeakPolarHBondContact O-CG1 3.47Å; Q138-V142 WeakPolarHBondContact O-CG2 3.23Å; Q138-V142 PolarHBondContact O-N 3.16Å; E140-V142 PolarHBondContact O-N 3.17Å; V142-F159 HydrophobicContact CG2-CE2 3.64Å; V142-F159 HydrophobicContact CG2-CZ 4.05Å; V142-R162 HydrophobicContact CB-CB 4.16Å; V142-R162 PolarHBondContact O-NH1 2.83Å; V142-I163 HydrophobicContact CG1-CD1 3.96Å; V142-I163 HydrophobicContact CG2-CD1 4.23Å; V142-Y166 HydrophobicContact CB-CD2 3.96Å; V142-Y166 HydrophobicContact CB-CE2 4.47Å; V142-Y166 HydrophobicContact CG1-CD2 3.82Å; V142-Y166 HydrophobicContact CG1-CG 4.06Å; V142-Y168 HydrophobicContact CG1-CD2 4.1Å; V142-Y168 HydrophobicContact CG1-CE2 4.15Å |
| 143 | G | 98.5 | Very high | 98.4 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 21.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | F139 E140 K141 G212 Y213 | F139-G143 PolarHBondContact O-N 3.09Å; E140-G143 PolarHBondContact O-N 3.31Å; E140-G143 VanDerWaalsContact O-N 3.16Å; K141-G143 VanDerWaalsContact C-N 3.28Å; G143-G212 CarbonylContact O-C 3.51Å; G143-G212 WeakPolarHBondContact O-CA 3.39Å; G143-Y213 WeakPolarHBondContact O-CD1 3.31Å; G143-Y213 PolarHBondContact O-N 3.33Å |
| 144 | G | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | S | Bend | trans | 64.2 | -154.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | F139 F159 R162 | F139-G144 PolarHBondContact O-N 3.39Å; G144-F159 WeakPolarHBondContact O-CD2 3.49Å; G144-F159 WeakPolarHBondContact O-CE2 3.31Å; G144-R162 VanDerWaalsContact O-CD 3.31Å; G144-R162 WeakPolarHBondContact O-CD 3.26Å |
| 145 | F | 98.8 | Very high | 98.3 | Very high | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.018 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -83.7 | 160.8 | -179.5 | -61.9 | -89.1 | 0 | 0 | 0 | 112.2 | A67 M70 N71 F88 I132 F139 F159 G212 | A67-F145 HydrophobicContact CB-CB 3.68Å; A67-F145 HydrophobicContact CB-CD1 4.47Å; A67-F145 HydrophobicContact CB-CG 4.27Å; M70-F145 HydrophobicContact CB-CD2 3.63Å; M70-F145 HydrophobicContact CB-CE2 3.58Å; M70-F145 HydrophobicContact CB-CG 4.5Å; M70-F145 HydrophobicContact CB-CZ 4.44Å; M70-F145 HydrophobicContact CG-CE2 4.2Å; M70-F145 HydrophobicContact SD-CD2 4.22Å; M70-F145 HydrophobicContact SD-CE1 4Å; M70-F145 HydrophobicContact SD-CE2 3.62Å; M70-F145 HydrophobicContact SD-CZ 3.5Å; M70-F145 WeakPolarHBondContact SD-CZ 3.35Å; N71-F145 PolarHBondContact ND2-O 2.87Å; N71-F145 PolarHBondContact OD1-N 2.72Å; F88-F145 HydrophobicContact CB-CZ 4.28Å; F88-F145 AromaticContact CD1-CE2 3.76Å; F88-F145 HydrophobicContact CD1-CE2 3.76Å; F88-F145 HydrophobicContact CD1-CZ 4.33Å; F88-F145 AromaticContact CD2-CE2 3.78Å; F88-F145 HydrophobicContact CD2-CE2 3.78Å; F88-F145 AromaticContact CD2-CZ 3.86Å; F88-F145 HydrophobicContact CD2-CZ 3.86Å; F88-F145 AromaticContact CE1-CE2 3.82Å; F88-F145 HydrophobicContact CE1-CE2 3.82Å; F88-F145 AromaticContact CE2-CE2 3.84Å; F88-F145 HydrophobicContact CE2-CE2 3.84Å; F88-F145 HydrophobicContact CE2-CZ 4.29Å; F88-F145 AromaticContact CG-CE2 3.75Å; F88-F145 HydrophobicContact CG-CE2 3.75Å; F88-F145 AromaticContact CG-CZ 3.89Å; F88-F145 HydrophobicContact CG-CZ 3.89Å; F88-F145 AromaticContact CZ-CE2 3.85Å; F88-F145 HydrophobicContact CZ-CE2 3.85Å; I132-F145 HydrophobicContact CD1-CE1 4.37Å; I132-F145 HydrophobicContact CD1-CZ 3.93Å; F139-F145 AromaticContact CE2-CD2 3.62Å; F139-F145 HydrophobicContact CE2-CD2 3.62Å; F139-F145 AromaticContact CE2-CE2 3.54Å; F139-F145 HydrophobicContact CE2-CE2 3.54Å; F139-F145 AromaticContact CZ-CD2 3.86Å; F139-F145 HydrophobicContact CZ-CD2 3.86Å; F139-F145 HydrophobicContact CZ-CE2 4.15Å; F145-F159 HydrophobicContact CD1-CB 3.63Å; F145-F159 HydrophobicContact CD1-CD1 4.08Å; F145-F159 AromaticContact CD1-CD2 3.55Å; F145-F159 HydrophobicContact CD1-CD2 3.55Å; F145-F159 HydrophobicContact CD1-CE2 4.23Å; F145-F159 AromaticContact CD1-CG 3.48Å; F145-F159 HydrophobicContact CD1-CG 3.48Å; F145-F159 VanDerWaalsContact CD1-CG 3.48Å; F145-F159 HydrophobicContact CE1-CB 3.73Å; F145-F159 AromaticContact CE1-CD1 3.47Å; F145-F159 HydrophobicContact CE1-CD1 3.47Å; F145-F159 VanDerWaalsContact CE1-CD1 3.47Å; F145-F159 AromaticContact CE1-CD2 3.8Å; F145-F159 HydrophobicContact CE1-CD2 3.8Å; F145-F159 AromaticContact CE1-CE1 4Å; F145-F159 HydrophobicContact CE1-CE1 4Å; F145-F159 HydrophobicContact CE1-CE2 4.28Å; F145-F159 AromaticContact CE1-CG 3.37Å; F145-F159 HydrophobicContact CE1-CG 3.37Å; F145-F159 HydrophobicContact CE1-CZ 4.38Å; F145-F159 AromaticContact CG-CD2 3.98Å; F145-F159 HydrophobicContact CG-CD2 3.98Å; F145-F159 HydrophobicContact CG-CE2 4.34Å; F145-F159 HydrophobicContact CG-CG 4.35Å; F145-F159 AromaticContact CZ-CD1 3.98Å; F145-F159 HydrophobicContact CZ-CD1 3.98Å; F145-F159 HydrophobicContact CZ-CD2 4.43Å; F145-F159 HydrophobicContact CZ-CE1 4.03Å; F145-F159 HydrophobicContact CZ-CE2 4.47Å; F145-F159 HydrophobicContact CZ-CG 4.19Å; F145-F159 HydrophobicContact CZ-CZ 4.29Å; F145-G212 WeakPolarHBondContact O-CA 3.45Å |
| 146 | S | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | -71.4 | 133.3 | 168.4 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | A67 S148 Y149 D211 | A67-S146 WeakPolarHBondContact CB-O 3.49Å; S146-S148 PolarHBondContact O-N 3.03Å; S146-S148 WeakPolarHBondContact OG-CB 3.48Å; S146-S148 PolarHBondContact OG-N 2.96Å; S146-S148 VanDerWaalsContact OG-N 3.16Å; S146-Y149 WeakPolarHBondContact OG-CD2 3.45Å; S146-Y149 WeakPolarHBondContact OG-CE2 3.33Å; S146-D211 WeakPolarHBondContact CA-OD2 3.46Å; S146-D211 VanDerWaalsContact CB-OD2 3.29Å; S146-D211 WeakPolarHBondContact CB-OD2 3.43Å; S146-D211 PolarHBondContact OG-OD2 2.9Å | ||
| 147 | N | 98.6 | Very high | 98.3 | Very high | 13 Ų | 13 | 31.5 Ų | 31.5 | 7% | 0.07 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -1.6 | 173.7 | -57.6 | -64.9 | 0 | 0 | 0 | 113 | N65 L68 N71 D211 G212 T215 S216 | N65-N147 PolarHBondContact ND2-O 2.89Å; L68-N147 HydrophobicContact CB-CB 4.42Å; L68-N147 HydrophobicContact CD1-CB 4.19Å; L68-N147 HydrophobicContact CG-CB 4.41Å; N71-N147 PolarHBondContact ND2-OD1 3.16Å; N147-D211 WeakPolarHBondContact CB-OD1 3.48Å; N147-D211 PolarHBondContact N-OD1 2.8Å; N147-D211 PolarHBondContact N-OD2 2.87Å; N147-D211 PolarHBondContact ND2-OD1 2.8Å; N147-D211 VanDerWaalsContact ND2-OD1 3.08Å; N147-G212 PolarHBondContact ND2-O 3.3Å; N147-T215 PolarHBondContact ND2-OG1 3.49Å; N147-S216 PolarHBondContact OD1-OG 3.27Å |
| 148 | S | 98 | Very high | 98.3 | Very high | 43 Ų | 43 | 24.9 Ų | 24.9 | 30% | 0.301 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -9.8 | -168.4 | -57.9 | 0 | 0 | 0 | 0 | 114.4 | S146 Y150 D211 | S146-S148 PolarHBondContact O-N 3.03Å; S146-S148 WeakPolarHBondContact OG-CB 3.48Å; S146-S148 PolarHBondContact OG-N 2.96Å; S146-S148 VanDerWaalsContact OG-N 3.16Å; S148-Y150 PolarHBondContact O-N 3.26Å; S148-D211 PolarHBondContact OG-OD2 2.91Å |
| 149 | Y | 98.2 | Very high | 98.3 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 0% | 0.004 | 12% | 0.118 | C | C | . | . | trans | -91.7 | 87.9 | -173.2 | -68 | -96.7 | 0 | 0 | 0 | 112.2 | N65 S146 G154 E155 D158 L200 L201 | N65-Y149 PolarHBondContact OD1-O 3.46Å; S146-Y149 WeakPolarHBondContact OG-CD2 3.45Å; S146-Y149 WeakPolarHBondContact OG-CE2 3.33Å; Y149-G154 VanDerWaalsContact CE1-C 3.43Å; Y149-G154 WeakPolarHBondContact CE1-O 3.21Å; Y149-E155 HydrophobicContact CD1-CB 4.15Å; Y149-E155 HydrophobicContact CD2-CB 3.95Å; Y149-E155 HydrophobicContact CG-CB 3.65Å; Y149-D158 HydrophobicContact CE2-CB 3.65Å; Y149-D158 VanDerWaalsContact CE2-OD2 3.26Å; Y149-D158 WeakPolarHBondContact CE2-OD2 3.15Å; Y149-D158 WeakPolarHBondContact OH-CB 3.48Å; Y149-D158 PolarHBondContact OH-OD2 3.43Å; Y149-L200 HydrophobicContact CD1-CD1 3.96Å; Y149-L200 HydrophobicContact CE1-CB 3.71Å; Y149-L200 HydrophobicContact CE1-CD1 3.95Å; Y149-L200 HydrophobicContact CE2-CB 4.45Å; Y149-L200 HydrophobicContact CG-CD1 4.31Å; Y149-L201 PolarHBondContact OH-N 3.18Å | ||
| 150 | Y | 97.8 | Very high | 98.3 | Very high | 84 Ų | 84 | 27.3 Ų | 27.3 | 33% | 0.329 | 13% | 0.128 | S | C | . | . | trans | -92.8 | 124 | 171.9 | -72.2 | -94.8 | 0 | 0 | 0 | 111.6 | K63 N65 S148 N194 | K63-Y150 HydrophobicContact CB-CD1 4.44Å; N65-Y150 HydrophobicContact CB-CD1 3.92Å; N65-Y150 HydrophobicContact CB-CE1 4Å; N65-Y150 HydrophobicContact CB-CG 4.41Å; N65-Y150 VanDerWaalsContact ND2-CE2 3.3Å; N65-Y150 WeakPolarHBondContact ND2-CE2 3.43Å; S148-Y150 PolarHBondContact O-N 3.26Å; Y150-N194 WeakPolarHBondContact O-CB 3.37Å; Y150-N194 PolarHBondContact O-ND2 3.24Å | ||
| 151 | G | 97.6 | Very high | 98.3 | Very high | 4 Ų | 4 | 27 Ų | 27 | 4% | 0.041 | 13% | 0.125 | C | C | . | . | S | Bend | trans | 92.7 | -172.3 | -169.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F64 E192 | F64-G151 PolarHBondContact O-N 2.85Å; G151-E192 WeakPolarHBondContact CA-O 3.45Å |
| 152 | W | 97.6 | Very high | 98.3 | Very high | 112 Ų | 112 | 22.1 Ų | 22.1 | 42% | 0.424 | 10% | 0.104 | S | C | . | . | B | Isolated β-bridge | trans | -86.8 | 129.7 | -171 | -179.3 | 83.9 | 0 | 0 | 0 | 113 | N191 E192 P193 N194 | W152-N191 VanDerWaalsContact CB-O 3.32Å; W152-N191 WeakPolarHBondContact CB-O 3.46Å; W152-N191 PolarHBondContact N-OD1 2.95Å; W152-E192 PolarHBondContact N-O 3.01Å; W152-P193 HydrophobicContact CE3-CB 4.31Å; W152-P193 HydrophobicContact CE3-CG 4.38Å; W152-P193 WeakPolarHBondContact O-CA 3.47Å; W152-N194 PolarHBondContact O-N 2.51Å |
| 153 | G | 97 | Very high | 98.3 | Very high | 6 Ų | 6 | 22.1 Ų | 22.1 | 6% | 0.062 | 10% | 0.104 | C | C | . | . | S | Bend | trans | 99.4 | 147.5 | 158.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | E155 R197 | G153-E155 VanDerWaalsContact C-OE2 3.29Å; G153-E155 WeakPolarHBondContact CA-OE2 3.24Å; G153-E155 PolarHBondContact N-OE2 3.22Å; G153-R197 VanDerWaalsContact O-CB 3.22Å; G153-R197 WeakPolarHBondContact O-CB 3.27Å |
| 154 | G | 97.6 | Very high | 98.3 | Very high | 4 Ų | 4 | 25.3 Ų | 25.3 | 4% | 0.041 | 12% | 0.12 | C | C | . | . | S | Bend | trans | 94.5 | -13 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y149 D156 D157 D158 | Y149-G154 VanDerWaalsContact CE1-C 3.43Å; Y149-G154 WeakPolarHBondContact CE1-O 3.21Å; G154-D156 PolarHBondContact N-OD1 3.18Å; G154-D157 PolarHBondContact O-N 3.42Å; G154-D158 PolarHBondContact O-N 3.39Å |
| 155 | E | 98.5 | Very high | 98.3 | Very high | 11 Ų | 11 | 30.7 Ų | 30.7 | 5% | 0.051 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -73.8 | -31.3 | 179.8 | 82.6 | -69.4 | 174 | 0 | 0 | 112.8 | R66 A67 Y149 G153 F159 | R66-E155 WeakPolarHBondContact CD-OE1 3.42Å; R66-E155 IonicContact CZ-OE1 3.67Å; R66-E155 IonicContact NE-OE1 3.93Å; R66-E155 IonicContact NH1-OE1 2.78Å; R66-E155 PolarHBondContact NH1-OE1 2.77Å; A67-E155 HydrophobicContact CB-CB 3.81Å; A67-E155 HydrophobicContact CB-CG 3.84Å; Y149-E155 HydrophobicContact CD1-CB 4.15Å; Y149-E155 HydrophobicContact CD2-CB 3.95Å; Y149-E155 HydrophobicContact CG-CB 3.65Å; G153-E155 VanDerWaalsContact C-OE2 3.29Å; G153-E155 WeakPolarHBondContact CA-OE2 3.24Å; G153-E155 PolarHBondContact N-OE2 3.22Å; E155-F159 WeakPolarHBondContact O-CB 3.32Å; E155-F159 PolarHBondContact O-N 2.7Å; E155-F159 VanDerWaalsContact O-N 3.09Å |
| 156 | D | 98.4 | Very high | 98.2 | Very high | 25 Ų | 25 | 32.7 Ų | 32.7 | 13% | 0.134 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -70 | -41.6 | 171.8 | 51.9 | -19.5 | 0 | 0 | 0 | 111.6 | G129 G154 F159 Y160 | G129-D156 WeakPolarHBondContact CA-OD2 3.22Å; G154-D156 PolarHBondContact N-OD1 3.18Å; D156-F159 PolarHBondContact O-N 3.32Å; D156-Y160 PolarHBondContact O-N 3.05Å |
| 157 | D | 98.5 | Very high | 98.2 | Very high | 39 Ų | 39 | 39.8 Ų | 39.8 | 21% | 0.209 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.4 | -40.7 | 172.6 | -65.6 | -52 | 0 | 0 | 0 | 112.2 | Y124 G154 F159 Y160 K161 L201 | Y124-D157 PolarHBondContact OH-OD1 3.08Å; G154-D157 PolarHBondContact O-N 3.42Å; D157-F159 VanDerWaalsContact C-N 3.34Å; D157-Y160 WeakPolarHBondContact O-CB 3.42Å; D157-Y160 PolarHBondContact O-N 3.42Å; D157-K161 WeakPolarHBondContact O-CG 3.12Å; D157-K161 PolarHBondContact O-N 3.36Å; D157-L201 HydrophobicContact CB-CD1 3.61Å; D157-L201 HydrophobicContact CB-CD2 3.7Å; D157-L201 HydrophobicContact CB-CG 4.32Å |
| 158 | D | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.2 | -45.7 | 174.2 | -167.2 | -73.1 | 0 | 0 | 0 | 110.5 | Y149 G154 Y160 K161 R162 L201 A204 R207 | Y149-D158 HydrophobicContact CE2-CB 3.65Å; Y149-D158 VanDerWaalsContact CE2-OD2 3.26Å; Y149-D158 WeakPolarHBondContact CE2-OD2 3.15Å; Y149-D158 WeakPolarHBondContact OH-CB 3.48Å; Y149-D158 PolarHBondContact OH-OD2 3.43Å; G154-D158 PolarHBondContact O-N 3.39Å; D158-Y160 PolarHBondContact O-N 2.95Å; D158-K161 WeakPolarHBondContact O-CB 3.25Å; D158-K161 PolarHBondContact O-N 2.89Å; D158-K161 VanDerWaalsContact O-N 3.13Å; D158-R162 WeakPolarHBondContact O-CG 3.19Å; D158-R162 PolarHBondContact O-N 3.03Å; D158-R162 IonicContact OD1-CZ 2.79Å; D158-R162 IonicContact OD1-NE 3.45Å; D158-R162 PolarHBondContact OD1-NE 3.25Å; D158-R162 IonicContact OD1-NH2 3.07Å; D158-L201 HydrophobicContact CB-CD1 4.45Å; D158-A204 VanDerWaalsContact OD2-CB 3.3Å; D158-A204 WeakPolarHBondContact OD2-CB 3.34Å; D158-R207 IonicContact OD2-NH2 3.47Å; D158-R207 PolarHBondContact OD2-NH2 2.74Å |
| 159 | F | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.3 | -39.5 | 178.3 | -164.5 | -114.5 | 0 | 0 | 0 | 112 | F128 I132 V134 F139 V142 G144 F145 E155 D156 D157 K161 R162 I163 | F128-F159 AromaticContact CD1-CD1 3.71Å; F128-F159 HydrophobicContact CD1-CD1 3.71Å; F128-F159 HydrophobicContact CD1-CE1 4.26Å; F128-F159 AromaticContact CE1-CD1 3.62Å; F128-F159 HydrophobicContact CE1-CD1 3.62Å; F128-F159 AromaticContact CE1-CE1 3.68Å; F128-F159 HydrophobicContact CE1-CE1 3.68Å; I132-F159 HydrophobicContact CD1-CD1 3.76Å; I132-F159 HydrophobicContact CD1-CE1 3.52Å; V134-F159 HydrophobicContact CG2-CE1 3.97Å; V134-F159 HydrophobicContact CG2-CZ 4.25Å; F139-F159 HydrophobicContact CD2-CE2 4.39Å; F139-F159 HydrophobicContact CD2-CZ 4.05Å; F139-F159 HydrophobicContact CE2-CE2 4.28Å; F139-F159 HydrophobicContact CE2-CZ 4.22Å; V142-F159 HydrophobicContact CG2-CE2 3.64Å; V142-F159 HydrophobicContact CG2-CZ 4.05Å; G144-F159 WeakPolarHBondContact O-CD2 3.49Å; G144-F159 WeakPolarHBondContact O-CE2 3.31Å; F145-F159 HydrophobicContact CD1-CB 3.63Å; F145-F159 HydrophobicContact CD1-CD1 4.08Å; F145-F159 AromaticContact CD1-CD2 3.55Å; F145-F159 HydrophobicContact CD1-CD2 3.55Å; F145-F159 HydrophobicContact CD1-CE2 4.23Å; F145-F159 AromaticContact CD1-CG 3.48Å; F145-F159 HydrophobicContact CD1-CG 3.48Å; F145-F159 VanDerWaalsContact CD1-CG 3.48Å; F145-F159 HydrophobicContact CE1-CB 3.73Å; F145-F159 AromaticContact CE1-CD1 3.47Å; F145-F159 HydrophobicContact CE1-CD1 3.47Å; F145-F159 VanDerWaalsContact CE1-CD1 3.47Å; F145-F159 AromaticContact CE1-CD2 3.8Å; F145-F159 HydrophobicContact CE1-CD2 3.8Å; F145-F159 AromaticContact CE1-CE1 4Å; F145-F159 HydrophobicContact CE1-CE1 4Å; F145-F159 HydrophobicContact CE1-CE2 4.28Å; F145-F159 AromaticContact CE1-CG 3.37Å; F145-F159 HydrophobicContact CE1-CG 3.37Å; F145-F159 HydrophobicContact CE1-CZ 4.38Å; F145-F159 AromaticContact CG-CD2 3.98Å; F145-F159 HydrophobicContact CG-CD2 3.98Å; F145-F159 HydrophobicContact CG-CE2 4.34Å; F145-F159 HydrophobicContact CG-CG 4.35Å; F145-F159 AromaticContact CZ-CD1 3.98Å; F145-F159 HydrophobicContact CZ-CD1 3.98Å; F145-F159 HydrophobicContact CZ-CD2 4.43Å; F145-F159 HydrophobicContact CZ-CE1 4.03Å; F145-F159 HydrophobicContact CZ-CE2 4.47Å; F145-F159 HydrophobicContact CZ-CG 4.19Å; F145-F159 HydrophobicContact CZ-CZ 4.29Å; E155-F159 WeakPolarHBondContact O-CB 3.32Å; E155-F159 PolarHBondContact O-N 2.7Å; E155-F159 VanDerWaalsContact O-N 3.09Å; D156-F159 PolarHBondContact O-N 3.32Å; D157-F159 VanDerWaalsContact C-N 3.34Å; F159-K161 VanDerWaalsContact C-N 3.34Å; F159-K161 PolarHBondContact O-N 3Å; F159-R162 WeakPolarHBondContact O-CB 3.44Å; F159-R162 PolarHBondContact O-N 3.05Å; F159-I163 HydrophobicContact CD1-CG1 4.38Å; F159-I163 HydrophobicContact CE1-CD1 4.08Å; F159-I163 HydrophobicContact CE1-CG1 4.2Å; F159-I163 HydrophobicContact CZ-CD1 4.06Å; F159-I163 WeakPolarHBondContact O-CG1 3.31Å; F159-I163 PolarHBondContact O-N 2.91Å |
| 160 | Y | 98.6 | Very high | 98.2 | Very high | 52 Ų | 52 | 42.7 Ų | 42.7 | 20% | 0.204 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -53.3 | -50.7 | 168.9 | 173.2 | -89.5 | 0 | 0 | 0 | 111 | E126 F128 D156 D157 D158 R162 I163 I164 I170 | E126-Y160 HydrophobicContact CB-CD1 4.07Å; E126-Y160 HydrophobicContact CB-CD2 4.21Å; E126-Y160 HydrophobicContact CB-CE1 3.78Å; E126-Y160 HydrophobicContact CB-CE2 3.97Å; E126-Y160 HydrophobicContact CB-CG 4.3Å; E126-Y160 HydrophobicContact CG-CD1 4.43Å; E126-Y160 HydrophobicContact CG-CE1 3.68Å; E126-Y160 HydrophobicContact CG-CE2 4.3Å; E126-Y160 WeakPolarHBondContact O-CD2 3.3Å; F128-Y160 HydrophobicContact CB-CD2 4.4Å; D156-Y160 PolarHBondContact O-N 3.05Å; D157-Y160 WeakPolarHBondContact O-CB 3.42Å; D157-Y160 PolarHBondContact O-N 3.42Å; D158-Y160 PolarHBondContact O-N 2.95Å; Y160-R162 VanDerWaalsContact C-N 3.28Å; Y160-R162 PolarHBondContact O-N 2.88Å; Y160-I163 WeakPolarHBondContact O-CB 3.38Å; Y160-I163 PolarHBondContact O-N 3Å; Y160-I163 VanDerWaalsContact O-N 3.12Å; Y160-I164 HydrophobicContact CD1-CG1 4.16Å; Y160-I164 HydrophobicContact CE1-CG1 3.64Å; Y160-I164 HydrophobicContact CE2-CD1 4.11Å; Y160-I164 HydrophobicContact CE2-CG1 4.03Å; Y160-I164 WeakPolarHBondContact O-CG1 2.99Å; Y160-I164 PolarHBondContact O-N 3.39Å; Y160-I170 HydrophobicContact CD2-CD1 3.28Å; Y160-I170 HydrophobicContact CD2-CG1 4.48Å; Y160-I170 HydrophobicContact CE2-CD1 3.56Å; Y160-I170 HydrophobicContact CG-CD1 4.49Å |
| 161 | K | 98.6 | Very high | 98.2 | Very high | 64 Ų | 64 | 40.8 Ų | 40.8 | 28% | 0.278 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -59.3 | -38.6 | 178.5 | -70.7 | -172.4 | 176.1 | -168.3 | 0 | 112.3 | D157 D158 F159 I164 Y165 L201 A204 F208 | D157-K161 WeakPolarHBondContact O-CG 3.12Å; D157-K161 PolarHBondContact O-N 3.36Å; D158-K161 WeakPolarHBondContact O-CB 3.25Å; D158-K161 PolarHBondContact O-N 2.89Å; D158-K161 VanDerWaalsContact O-N 3.13Å; F159-K161 VanDerWaalsContact C-N 3.34Å; F159-K161 PolarHBondContact O-N 3Å; K161-I164 PolarHBondContact O-N 3.27Å; K161-Y165 VanDerWaalsContact O-CB 3.22Å; K161-Y165 WeakPolarHBondContact O-CB 3.37Å; K161-Y165 PolarHBondContact O-N 3.45Å; K161-L201 HydrophobicContact CD-CD1 3.78Å; K161-L201 HydrophobicContact CG-CD1 4.4Å; K161-L201 PolarHBondContact NZ-O 3.11Å; K161-A204 HydrophobicContact CD-CB 4.16Å; K161-F208 HydrophobicContact CB-CZ 3.8Å |
| 162 | R | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.6 | -46.6 | 174.6 | -68.7 | 173.3 | -179.3 | -103.8 | -1.5 | 112 | V142 G144 D158 F159 Y160 I164 Y165 Y166 F208 D211 | V142-R162 HydrophobicContact CB-CB 4.16Å; V142-R162 PolarHBondContact O-NH1 2.83Å; G144-R162 VanDerWaalsContact O-CD 3.31Å; G144-R162 WeakPolarHBondContact O-CD 3.26Å; D158-R162 WeakPolarHBondContact O-CG 3.19Å; D158-R162 PolarHBondContact O-N 3.03Å; D158-R162 IonicContact OD1-CZ 2.79Å; D158-R162 IonicContact OD1-NE 3.45Å; D158-R162 PolarHBondContact OD1-NE 3.25Å; D158-R162 IonicContact OD1-NH2 3.07Å; F159-R162 WeakPolarHBondContact O-CB 3.44Å; F159-R162 PolarHBondContact O-N 3.05Å; Y160-R162 VanDerWaalsContact C-N 3.28Å; Y160-R162 PolarHBondContact O-N 2.88Å; R162-I164 VanDerWaalsContact C-N 3.34Å; R162-I164 PolarHBondContact O-N 2.94Å; R162-Y165 PolarHBondContact O-N 2.68Å; R162-Y166 WeakPolarHBondContact O-CD2 3.17Å; R162-Y166 PolarHBondContact O-N 3.47Å; R162-Y166 VanDerWaalsContact O-N 3.12Å; R162-F208 HydrophobicContact CB-CE1 4.42Å; R162-F208 HydrophobicContact CB-CZ 4.34Å; R162-F208 HydrophobicContact CG-CD1 3.5Å; R162-F208 VanDerWaalsContact CG-CD1 3.5Å; R162-F208 HydrophobicContact CG-CD2 4.29Å; R162-F208 HydrophobicContact CG-CE1 3.27Å; R162-F208 HydrophobicContact CG-CE2 4.11Å; R162-F208 HydrophobicContact CG-CG 4.01Å; R162-F208 HydrophobicContact CG-CZ 3.61Å; R162-F208 PolarHBondContact NH1-O 3.38Å; R162-D211 VanDerWaalsContact CZ-O 3.29Å; R162-D211 PolarHBondContact NH1-O 2.89Å; R162-D211 PolarHBondContact NH2-O 2.87Å |
| 163 | I | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -54.9 | -51.6 | 176.9 | -69.9 | -45.5 | 0 | 0 | 0 | 110.3 | P108 F128 V142 F159 Y160 Y166 Y168 I170 | P108-I163 HydrophobicContact CB-CD1 4.29Å; P108-I163 HydrophobicContact CB-CG2 4.45Å; P108-I163 HydrophobicContact CG-CD1 3.78Å; P108-I163 HydrophobicContact CG-CG1 4.34Å; P108-I163 HydrophobicContact CG-CG2 4.07Å; F128-I163 HydrophobicContact CD1-CG1 4.47Å; F128-I163 HydrophobicContact CE1-CG1 3.95Å; V142-I163 HydrophobicContact CG1-CD1 3.96Å; V142-I163 HydrophobicContact CG2-CD1 4.23Å; F159-I163 HydrophobicContact CD1-CG1 4.38Å; F159-I163 HydrophobicContact CE1-CD1 4.08Å; F159-I163 HydrophobicContact CE1-CG1 4.2Å; F159-I163 HydrophobicContact CZ-CD1 4.06Å; F159-I163 WeakPolarHBondContact O-CG1 3.31Å; F159-I163 PolarHBondContact O-N 2.91Å; Y160-I163 WeakPolarHBondContact O-CB 3.38Å; Y160-I163 PolarHBondContact O-N 3Å; Y160-I163 VanDerWaalsContact O-N 3.12Å; I163-Y166 PolarHBondContact O-N 3.45Å; I163-Y168 WeakPolarHBondContact O-CB 3.36Å; I163-Y168 PolarHBondContact O-N 2.99Å; I163-I170 HydrophobicContact CG2-CG1 4.3Å |
| 164 | I | 98.3 | Very high | 98.2 | Very high | 70 Ų | 70 | 43 Ų | 43 | 36% | 0.359 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -66.1 | -43.7 | -178.4 | -58.3 | -51.3 | 0 | 0 | 0 | 111.7 | Y160 K161 R162 Y166 N167 Y168 | Y160-I164 HydrophobicContact CD1-CG1 4.16Å; Y160-I164 HydrophobicContact CE1-CG1 3.64Å; Y160-I164 HydrophobicContact CE2-CD1 4.11Å; Y160-I164 HydrophobicContact CE2-CG1 4.03Å; Y160-I164 WeakPolarHBondContact O-CG1 2.99Å; Y160-I164 PolarHBondContact O-N 3.39Å; K161-I164 PolarHBondContact O-N 3.27Å; R162-I164 VanDerWaalsContact C-N 3.34Å; R162-I164 PolarHBondContact O-N 2.94Å; I164-Y166 PolarHBondContact O-N 3.15Å; I164-N167 WeakPolarHBondContact O-CA 3.47Å; I164-N167 PolarHBondContact O-N 3.29Å; I164-Y168 WeakPolarHBondContact CD1-O 3.39Å |
| 165 | Y | 98.2 | Very high | 98.1 | Very high | 112 Ų | 112 | 47 Ų | 47 | 44% | 0.439 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -56.9 | -36.7 | 178.9 | -179.7 | -85.6 | 0 | 0 | 0 | 112.6 | K161 R162 N167 E205 F208 | K161-Y165 VanDerWaalsContact O-CB 3.22Å; K161-Y165 WeakPolarHBondContact O-CB 3.37Å; K161-Y165 PolarHBondContact O-N 3.45Å; R162-Y165 PolarHBondContact O-N 2.68Å; Y165-N167 PolarHBondContact O-N 2.83Å; Y165-E205 HydrophobicContact CD2-CG 4.35Å; Y165-F208 AromaticContact CD1-CD2 3.79Å; Y165-F208 HydrophobicContact CD1-CD2 3.79Å; Y165-F208 HydrophobicContact CD1-CE2 4.23Å; Y165-F208 HydrophobicContact CD2-CD2 4.01Å; Y165-F208 AromaticContact CD2-CE2 3.93Å; Y165-F208 HydrophobicContact CD2-CE2 3.93Å; Y165-F208 HydrophobicContact CE1-CD2 4.27Å; Y165-F208 HydrophobicContact CE2-CD2 4.47Å; Y165-F208 AromaticContact CG-CD2 3.66Å; Y165-F208 HydrophobicContact CG-CD2 3.66Å; Y165-F208 AromaticContact CG-CE2 3.65Å; Y165-F208 HydrophobicContact CG-CE2 3.65Å |
| 166 | Y | 97.9 | Very high | 97.9 | Very high | 47 Ų | 47 | 52.3 Ų | 52.3 | 18% | 0.184 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 17.9 | 177.2 | -77.7 | -76.1 | 0 | 0 | 0 | 114.4 | K141 V142 R162 I163 I164 Y168 N209 | K141-Y166 HydrophobicContact CG-CD1 4.15Å; V142-Y166 HydrophobicContact CB-CD2 3.96Å; V142-Y166 HydrophobicContact CB-CE2 4.47Å; V142-Y166 HydrophobicContact CG1-CD2 3.82Å; V142-Y166 HydrophobicContact CG1-CG 4.06Å; R162-Y166 WeakPolarHBondContact O-CD2 3.17Å; R162-Y166 PolarHBondContact O-N 3.47Å; R162-Y166 VanDerWaalsContact O-N 3.12Å; I163-Y166 PolarHBondContact O-N 3.45Å; I164-Y166 PolarHBondContact O-N 3.15Å; Y166-Y168 VanDerWaalsContact C-N 3.3Å; Y166-Y168 PolarHBondContact O-N 2.78Å; Y166-N209 PolarHBondContact OH-OD1 2.61Å; Y166-N209 VanDerWaalsContact OH-OD1 3.11Å |
| 167 | N | 98 | Very high | 97.8 | Very high | 149 Ų | 149 | 52.3 Ų | 52.3 | 80% | 0.797 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61 | 31.9 | 177.3 | -62.6 | -59.3 | 0 | 0 | 0 | 114.4 | I164 Y165 | I164-N167 WeakPolarHBondContact O-CA 3.47Å; I164-N167 PolarHBondContact O-N 3.29Å; Y165-N167 PolarHBondContact O-N 2.83Å |
| 168 | Y | 98.5 | Very high | 97.8 | Very high | 31 Ų | 31 | 50.5 Ų | 50.5 | 12% | 0.122 | 24% | 0.244 | C | C | . | . | trans | -92.2 | 159.2 | 164.2 | -67.8 | -67.4 | 0 | 0 | 0 | 110.3 | P108 Q138 K141 V142 I163 I164 Y166 | P108-Y168 HydrophobicContact CG-CG 4.27Å; Q138-Y168 HydrophobicContact CB-CE2 4.36Å; Q138-Y168 HydrophobicContact CG-CD1 4.28Å; Q138-Y168 HydrophobicContact CG-CE1 3.7Å; Q138-Y168 HydrophobicContact CG-CE2 4.15Å; K141-Y168 HydrophobicContact CD-CE2 3.87Å; K141-Y168 WeakPolarHBondContact CD-OH 3.11Å; V142-Y168 HydrophobicContact CG1-CD2 4.1Å; V142-Y168 HydrophobicContact CG1-CE2 4.15Å; I163-Y168 WeakPolarHBondContact O-CB 3.36Å; I163-Y168 PolarHBondContact O-N 2.99Å; I164-Y168 WeakPolarHBondContact CD1-O 3.39Å; Y166-Y168 VanDerWaalsContact C-N 3.3Å; Y166-Y168 PolarHBondContact O-N 2.78Å | ||
| 169 | S | 97.8 | Very high | 97.8 | Very high | 55 Ų | 55 | 54.8 Ų | 54.8 | 39% | 0.385 | 26% | 0.26 | S | S | . | . | trans | -118.9 | 157.9 | 171.9 | 60 | 0 | 0 | 0 | 0 | 109.2 | Q107 P108 | Q107-S169 WeakPolarHBondContact CB-O 3.34Å; Q107-S169 WeakPolarHBondContact CG-OG 3.39Å; Q107-S169 PolarHBondContact OE1-O 3.06Å; Q107-S169 PolarHBondContact OE1-OG 3.28Å; Q107-S169 VanDerWaalsContact OE1-OG 3.14Å; P108-S169 WeakPolarHBondContact CD-O 3.4Å | ||
| 170 | I | 98.1 | Very high | 97.8 | Very high | 31 Ų | 31 | 54.8 Ų | 54.8 | 16% | 0.159 | 26% | 0.26 | C | S | . | . | trans | -91.6 | 133.4 | 173.1 | -67.4 | 174.2 | 0 | 0 | 0 | 109.7 | P108 H110 F128 Y160 I163 R172 | P108-I170 WeakPolarHBondContact O-CA 3.36Å; H110-I170 HydrophobicContact CB-CG2 3.81Å; F128-I170 HydrophobicContact CB-CD1 3.9Å; F128-I170 HydrophobicContact CD1-CD1 4.1Å; F128-I170 HydrophobicContact CD2-CD1 3.41Å; F128-I170 VanDerWaalsContact CD2-CD1 3.41Å; F128-I170 HydrophobicContact CD2-CG1 4.04Å; F128-I170 HydrophobicContact CD2-CG2 4.14Å; F128-I170 HydrophobicContact CE1-CD1 4.49Å; F128-I170 HydrophobicContact CE2-CD1 3.88Å; F128-I170 HydrophobicContact CE2-CG1 3.98Å; F128-I170 HydrophobicContact CE2-CG2 4.03Å; F128-I170 HydrophobicContact CG-CD1 3.56Å; F128-I170 HydrophobicContact CG-CG1 4.47Å; F128-I170 HydrophobicContact CZ-CD1 4.41Å; F128-I170 HydrophobicContact CZ-CG1 4.36Å; Y160-I170 HydrophobicContact CD2-CD1 3.28Å; Y160-I170 HydrophobicContact CD2-CG1 4.48Å; Y160-I170 HydrophobicContact CE2-CD1 3.56Å; Y160-I170 HydrophobicContact CG-CD1 4.49Å; I163-I170 HydrophobicContact CG2-CG1 4.3Å; I170-R172 HydrophobicContact CG2-CG 4.25Å | ||
| 171 | V | 98.2 | Very high | 97.8 | Very high | 44 Ų | 44 | 55.5 Ų | 55.5 | 27% | 0.267 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 147 | 169.8 | -64.8 | 0 | 0 | 0 | 0 | 110.9 | Q107 P108 R109 H110 | Q107-V171 HydrophobicContact CB-CG1 3.72Å; Q107-V171 HydrophobicContact CB-CG2 4.05Å; Q107-V171 HydrophobicContact CG-CG1 4.25Å; P108-V171 WeakPolarHBondContact O-CG2 3.19Å; P108-V171 PolarHBondContact O-N 3.14Å; R109-V171 CarbonylContact C-O 3.6Å; R109-V171 VanDerWaalsContact CA-O 3.29Å; R109-V171 WeakPolarHBondContact CA-O 3.39Å; R109-V171 HydrophobicContact CB-CG2 3.94Å; R109-V171 HydrophobicContact CG-CG2 4.27Å; H110-V171 PolarHBondContact N-O 2.87Å |
| 172 | R | 98.1 | Very high | 97.7 | Very high | 54 Ų | 54 | 53.9 Ų | 53.9 | 20% | 0.204 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 147 | -176.8 | -73.9 | 178.5 | -171.8 | 122.4 | -3.2 | 109.6 | H110 V113 E125 N127 I170 | H110-R172 HydrophobicContact CB-CG 3.87Å; H110-R172 PolarHBondContact ND1-NE 3.47Å; V113-R172 HydrophobicContact CG2-CB 3.82Å; V113-R172 HydrophobicContact CG2-CG 3.66Å; E125-R172 PolarHBondContact O-NH1 3Å; E125-R172 VanDerWaalsContact O-NH1 3.16Å; E125-R172 PolarHBondContact O-NH2 3.41Å; E125-R172 IonicContact OE1-NH1 2.74Å; E125-R172 PolarHBondContact OE1-NH1 3.31Å; E125-R172 IonicContact OE2-NH1 3.59Å; N127-R172 PolarHBondContact O-NH2 3.25Å; I170-R172 HydrophobicContact CG2-CG 4.25Å |
| 173 | Y | 97.5 | Very high | 97.7 | Very high | 53 Ų | 53 | 55.3 Ų | 55.3 | 21% | 0.208 | 27% | 0.268 | C | S | . | . | trans | -76.2 | 159.6 | 160.3 | -68.2 | -68.2 | 0 | 0 | 0 | 109.4 | N100 I101 L111 | N100-Y173 WeakPolarHBondContact OD1-CD2 3.27Å; N100-Y173 WeakPolarHBondContact OD1-CE2 3.33Å; I101-Y173 PolarHBondContact O-OH 3.34Å; L111-Y173 HydrophobicContact CD2-CD2 4.33Å; L111-Y173 HydrophobicContact CD2-CE2 4.01Å | ||
| 174 | P | 96.8 | Very high | 97.4 | Very high | 63 Ų | 63 | 66.3 Ų | 66.3 | 41% | 0.409 | 31% | 0.31 | S | S | . | . | trans | -54.3 | 145.3 | 172.8 | -25.5 | 35.7 | 0 | 0 | 0 | 112.1 | E176 I177 A178 | P174-E176 HydrophobicContact CB-CG 4.35Å; P174-E176 WeakPolarHBondContact CB-OE1 3.12Å; P174-E176 WeakPolarHBondContact CB-OE2 3.35Å; P174-E176 PolarHBondContact O-N 2.68Å; P174-E176 VanDerWaalsContact O-N 3.15Å; P174-I177 PolarHBondContact O-N 3.15Å; P174-A178 WeakPolarHBondContact O-CB 3.48Å; P174-A178 PolarHBondContact O-N 3.18Å | ||
| 175 | E | 95.5 | Very high | 97 | Very high | 88 Ų | 88 | 66.2 Ų | 66.2 | 41% | 0.411 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -32.6 | -174.2 | -66.5 | -170.6 | 149 | 0 | 0 | 112.5 | V113 S114 L122 I177 R179 | V113-E175 HydrophobicContact CG1-CG 4.07Å; S114-E175 WeakPolarHBondContact CB-O 3.26Å; L122-E175 PolarHBondContact N-OE1 2.98Å; E175-I177 PolarHBondContact O-N 3.06Å; E175-R179 WeakPolarHBondContact O-CG 3.47Å |
| 176 | E | 95.4 | Very high | 96.6 | Very high | 121 Ų | 121 | 69.3 Ų | 69.3 | 57% | 0.565 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -21.6 | 179 | 67.8 | -84.5 | -164.6 | 0 | 0 | 114.1 | P174 | P174-E176 HydrophobicContact CB-CG 4.35Å; P174-E176 WeakPolarHBondContact CB-OE1 3.12Å; P174-E176 WeakPolarHBondContact CB-OE2 3.35Å; P174-E176 PolarHBondContact O-N 2.68Å; P174-E176 VanDerWaalsContact O-N 3.15Å |
| 177 | I | 96.6 | Very high | 96.1 | Very high | 26 Ų | 26 | 74.1 Ų | 74.1 | 13% | 0.133 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | -37.3 | 176.8 | -70.3 | 162.4 | 0 | 0 | 0 | 110.5 | D97 R99 N100 P174 E175 R179 | D97-I177 WeakPolarHBondContact CB-O 3.16Å; R99-I177 HydrophobicContact CB-CD1 4.35Å; R99-I177 HydrophobicContact CB-CG1 4.24Å; R99-I177 HydrophobicContact CB-CG2 3.65Å; N100-I177 HydrophobicContact CB-CG2 4.01Å; N100-I177 VanDerWaalsContact N-CG2 3.33Å; P174-I177 PolarHBondContact O-N 3.15Å; E175-I177 PolarHBondContact O-N 3.06Å; I177-R179 PolarHBondContact O-N 3.23Å |
| 178 | A | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -80.4 | 36.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | V113 S114 P174 | V113-A178 HydrophobicContact CB-CB 3.63Å; V113-A178 HydrophobicContact CG2-CB 3.65Å; S114-A178 PolarHBondContact N-O 2.72Å; P174-A178 WeakPolarHBondContact O-CB 3.48Å; P174-A178 PolarHBondContact O-N 3.18Å |
| 179 | R | 98.2 | Very high | 95.1 | Very high | 91 Ų | 91 | 75.7 Ų | 75.7 | 34% | 0.343 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 138.6 | -175.3 | -57.9 | -176.7 | 75.7 | 171 | 5.8 | 112.5 | E96 S114 Y120 E175 I177 | E96-R179 HydrophobicContact CB-CB 4.26Å; E96-R179 PolarHBondContact N-O 3.22Å; E96-R179 VanDerWaalsContact OE2-CB 3.23Å; E96-R179 WeakPolarHBondContact OE2-CB 3.24Å; S114-R179 CarbonylContact O-C 3.51Å; S114-R179 VanDerWaalsContact O-CA 3.22Å; S114-R179 WeakPolarHBondContact O-CA 3.31Å; Y120-R179 HydrophobicContact CD1-CB 4.13Å; Y120-R179 HydrophobicContact CD1-CG 4.12Å; Y120-R179 HydrophobicContact CE1-CB 4.1Å; Y120-R179 HydrophobicContact CE1-CG 4.48Å; E175-R179 WeakPolarHBondContact O-CG 3.47Å; I177-R179 PolarHBondContact O-N 3.23Å |
| 180 | Y | 98.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 143.7 | 178.4 | -78.2 | -106.9 | 0 | 0 | 0 | 111.5 | L93 L94 P95 E96 N100 Y102 L111 S112 S114 I115 D116 V131 | L93-Y180 HydrophobicContact CB-CD1 3.81Å; L93-Y180 HydrophobicContact CB-CE1 4.39Å; L94-Y180 VanDerWaalsContact O-CA 3.28Å; L94-Y180 WeakPolarHBondContact O-CA 3.38Å; P95-Y180 HydrophobicContact CB-CD1 4.26Å; P95-Y180 HydrophobicContact CB-CE1 3.73Å; P95-Y180 HydrophobicContact CB-CE2 4.26Å; P95-Y180 HydrophobicContact CG-CE1 4.21Å; E96-Y180 PolarHBondContact OE2-N 2.99Å; N100-Y180 VanDerWaalsContact ND2-CE2 3.26Å; N100-Y180 WeakPolarHBondContact ND2-CE2 3.4Å; N100-Y180 PolarHBondContact ND2-OH 3.29Å; Y102-Y180 WeakPolarHBondContact CE2-OH 3.49Å; Y102-Y180 VanDerWaalsContact CZ-OH 3.27Å; Y102-Y180 WeakPolarHBondContact OH-CE1 3.47Å; Y102-Y180 PolarHBondContact OH-OH 2.71Å; L111-Y180 VanDerWaalsContact O-CE2 3.23Å; L111-Y180 WeakPolarHBondContact O-CE2 3.49Å; S112-Y180 VanDerWaalsContact CA-CE2 3.44Å; S114-Y180 PolarHBondContact O-N 2.85Å; I115-Y180 WeakPolarHBondContact CA-O 3.3Å; D116-Y180 PolarHBondContact N-O 2.86Å; V131-Y180 HydrophobicContact CB-CE1 4.4Å; V131-Y180 HydrophobicContact CG2-CD1 4.42Å; V131-Y180 HydrophobicContact CG2-CE1 3.79Å |
| 181 | I | 98.3 | Very high | 94.6 | Very high | 66 Ų | 66 | 77 Ų | 77 | 34% | 0.338 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 131.3 | 163.2 | -67.3 | 166.7 | 0 | 0 | 0 | 108.7 | L94 E96 | L94-I181 PolarHBondContact N-O 3.13Å; L94-I181 PolarHBondContact O-N 3.23Å; E96-I181 HydrophobicContact CG-CD1 3.96Å; E96-I181 HydrophobicContact CG-CG1 3.87Å |
| 182 | M | 98 | Very high | 94.5 | Very high | 31 Ų | 31 | 78.7 Ų | 78.7 | 15% | 0.153 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 114.6 | 167 | -169.3 | 177.8 | -167.4 | 0 | 0 | 110.2 | D92 L93 I115 D116 K117 R184 H185 | D92-M182 CarbonylContact O-C 3.56Å; D92-M182 WeakPolarHBondContact O-CA 3.35Å; D92-M182 WeakPolarHBondContact OD2-CE 3.44Å; L93-M182 HydrophobicContact CD2-CB 3.86Å; L93-M182 HydrophobicContact CD2-CG 4.03Å; I115-M182 HydrophobicContact CG2-CB 3.92Å; D116-M182 PolarHBondContact OD1-N 2.95Å; K117-M182 HydrophobicContact CB-CB 4.37Å; K117-M182 HydrophobicContact CB-SD 4.42Å; K117-M182 HydrophobicContact CD-SD 3.33Å; K117-M182 WeakPolarHBondContact CD-SD 3.33Å; M182-R184 PolarHBondContact O-N 2.9Å; M182-H185 WeakPolarHBondContact CE-NE2 3.39Å |
| 183 | L | 96.9 | Very high | 94.5 | Very high | 30 Ų | 30 | 78.5 Ų | 78.5 | 16% | 0.157 | 36% | 0.356 | C | S | . | . | trans | -60.7 | 110 | 173 | -66 | -179.3 | 0 | 0 | 0 | 109.8 | H32 L35 D92 L94 H185 | H32-L183 HydrophobicContact CB-CD1 4.29Å; H32-L183 VanDerWaalsContact CD2-CB 3.42Å; H32-L183 WeakPolarHBondContact CD2-CB 3.29Å; H32-L183 PolarHBondContact NE2-O 2.8Å; L35-L183 HydrophobicContact CB-CD1 3.93Å; L35-L183 HydrophobicContact CD1-CD1 3.98Å; L35-L183 HydrophobicContact CD1-CD2 4.09Å; D92-L183 HydrophobicContact CB-CB 4.02Å; D92-L183 PolarHBondContact O-N 2.84Å; L94-L183 HydrophobicContact CD1-CD1 4.14Å; L94-L183 HydrophobicContact CD1-CD2 3.85Å; L94-L183 HydrophobicContact CD1-CG 4.05Å; L94-L183 HydrophobicContact CG-CD1 4.37Å; L94-L183 HydrophobicContact CG-CG 4.27Å; L183-H185 PolarHBondContact O-CD2 2.84Å; L183-H185 PolarHBondContact O-N 2.84Å | ||
| 184 | R | 92.4 | Very high | 94.4 | Very high | 230 Ų | 230 | 76.6 Ų | 76.6 | 87% | 0.868 | 35% | 0.35 | S | S | * | . | trans | -55.6 | 138.2 | -173.9 | -61.6 | -177.4 | -178.1 | -176.5 | -0.2 | 112.2 | M182 | M182-R184 PolarHBondContact O-N 2.9Š| ||
| 185 | H | 91 | Very high | 94.4 | Very high | 69 Ų | 69 | 82.3 Ų | 82.3 | 32% | 0.319 | 37% | 0.371 | S | S | . | . | trans | -156.4 | 157.8 | 174.1 | 68.1 | 87.2 | 0 | 0 | 0 | 110.1 | R29 D92 M182 L183 | R29-H185 PolarHBondContact NH1-CD2 3.4Å; R29-H185 VanDerWaalsContact NH1-CD2 3.29Å; R29-H185 PolarHBondContact NH2-CE1 3.44Å; R29-H185 PolarHBondContact NH2-ND1 3.42Å; R29-H185 VanDerWaalsContact NH2-ND1 3.15Å; R29-H185 PolarHBondContact NH2-NE2 3.09Å; D92-H185 IonicContact OD2-CD2 3.87Å; D92-H185 PolarHBondContact OD2-CD2 3.13Å; D92-H185 VanDerWaalsContact OD2-CD2 3.28Å; D92-H185 IonicContact OD2-NE2 2.7Å; D92-H185 PolarHBondContact OD2-NE2 2.72Å; D92-H185 VanDerWaalsContact OD2-NE2 3.07Å; M182-H185 WeakPolarHBondContact CE-NE2 3.39Å; L183-H185 PolarHBondContact O-CD2 2.84Å; L183-H185 PolarHBondContact O-N 2.84Å | ||
| 186 | E | 88.8 | Confident | 94.5 | Very high | 177 Ų | 177 | 82.7 Ų | 82.7 | 83% | 0.827 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -78.2 | 159.2 | 166.6 | -64.5 | -173 | 173.8 | 0 | 0 | 110.1 | D188 | E186-D188 PolarHBondContact O-N 3.29Š|
| 187 | R | 87.2 | Confident | 94.6 | Very high | 148 Ų | 148 | 79.7 Ų | 79.7 | 56% | 0.558 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 130.2 | 178.7 | -175.2 | 151.3 | -69.4 | 139.1 | -1.2 | 110 | ||
| 188 | D | 87.4 | Confident | 94.6 | Very high | 48 Ų | 48 | 84.9 Ų | 84.9 | 26% | 0.257 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 143.9 | -178 | -44.6 | -79.1 | 0 | 0 | 0 | 111.5 | R29 E186 N191 | R29-D188 IonicContact CZ-OD1 3.94Å; R29-D188 IonicContact CZ-OD2 3.87Å; R29-D188 IonicContact NE-OD1 3.69Å; R29-D188 PolarHBondContact NE-OD1 3.45Å; R29-D188 IonicContact NE-OD2 2.81Å; R29-D188 PolarHBondContact NE-OD2 2.96Å; R29-D188 IonicContact NH2-OD1 2.86Å; R29-D188 PolarHBondContact NH2-OD1 3.06Å; R29-D188 IonicContact NH2-OD2 3.85Å; R29-D188 PolarHBondContact NH2-OD2 2.84Å; E186-D188 PolarHBondContact O-N 3.29Å; D188-N191 HydrophobicContact CB-CB 4.18Å; D188-N191 PolarHBondContact O-N 2.71Å |
| 189 | E | 88 | Confident | 94.6 | Very high | 165 Ų | 165 | 90.5 Ų | 90.5 | 77% | 0.771 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 144.8 | 163.5 | -64.3 | -175.2 | 176.3 | 0 | 0 | 110.4 | N191 | E189-N191 PolarHBondContact O-N 2.86Š|
| 190 | R | 91.7 | Very high | 94.6 | Very high | 90 Ų | 90 | 87.3 Ų | 87.3 | 34% | 0.34 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 17.5 | -177.8 | -51.2 | 168.3 | 177.7 | 160.2 | 3.6 | 113.5 | R27 T61 K63 F64 E192 | R27-R190 VanDerWaalsContact NH2-CB 3.28Å; R27-R190 PolarHBondContact NH2-O 3.38Å; T61-R190 VanDerWaalsContact CA-NH1 3.26Å; T61-R190 VanDerWaalsContact O-CD 3.23Å; T61-R190 WeakPolarHBondContact O-CD 3.15Å; T61-R190 PolarHBondContact O-NE 3.31Å; K63-R190 CarbonylContact C-O 3.6Å; K63-R190 WeakPolarHBondContact CA-O 3.41Å; F64-R190 PolarHBondContact N-O 2.89Å; R190-E192 WeakPolarHBondContact CA-OE1 3.39Å; R190-E192 VanDerWaalsContact CA-OE2 3.3Å; R190-E192 WeakPolarHBondContact CA-OE2 3.43Å; R190-E192 PolarHBondContact N-OE1 3.16Å |
| 191 | N | 95 | Very high | 94.6 | Very high | 23 Ų | 23 | 88.8 Ų | 88.8 | 12% | 0.123 | 40% | 0.403 | C | S | . | . | trans | -129.9 | 36.7 | 167.4 | -162.1 | 26 | 0 | 0 | 0 | 109.9 | F64 W152 D188 E189 | F64-N191 HydrophobicContact CB-CB 4.17Å; W152-N191 VanDerWaalsContact CB-O 3.32Å; W152-N191 WeakPolarHBondContact CB-O 3.46Å; W152-N191 PolarHBondContact N-OD1 2.95Å; D188-N191 HydrophobicContact CB-CB 4.18Å; D188-N191 PolarHBondContact O-N 2.71Å; E189-N191 PolarHBondContact O-N 2.86Å | ||
| 192 | E | 96 | Very high | 94.5 | Very high | 80 Ų | 80 | 93.5 Ų | 93.5 | 37% | 0.374 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 154.8 | 175.2 | -52.6 | 80.4 | -172.9 | 0 | 0 | 109.9 | G151 W152 R190 N194 | G151-E192 WeakPolarHBondContact CA-O 3.45Å; W152-E192 PolarHBondContact N-O 3.01Å; R190-E192 WeakPolarHBondContact CA-OE1 3.39Å; R190-E192 VanDerWaalsContact CA-OE2 3.3Å; R190-E192 WeakPolarHBondContact CA-OE2 3.43Å; R190-E192 PolarHBondContact N-OE1 3.16Å; E192-N194 PolarHBondContact O-N 3.05Å |
| 193 | P | 96.7 | Very high | 94.5 | Very high | 50 Ų | 50 | 94.3 Ų | 94.3 | 33% | 0.325 | 43% | 0.432 | S | S | . | . | B | Isolated β-bridge | trans | -51.8 | 126.6 | 177.3 | -27.2 | 35.5 | 0 | 0 | 0 | 111.8 | W152 Q195 | W152-P193 HydrophobicContact CE3-CB 4.31Å; W152-P193 HydrophobicContact CE3-CG 4.38Å; W152-P193 WeakPolarHBondContact O-CA 3.47Å; P193-Q195 PolarHBondContact O-N 2.83Å |
| 194 | N | 96.8 | Very high | 94.5 | Very high | 13 Ų | 13 | 92.9 Ų | 92.9 | 7% | 0.07 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 117 | 176.5 | 179.2 | -4 | 0 | 0 | 0 | 108.8 | Y150 W152 E192 M196 R197 | Y150-N194 WeakPolarHBondContact O-CB 3.37Å; Y150-N194 PolarHBondContact O-ND2 3.24Å; W152-N194 PolarHBondContact O-N 2.51Å; E192-N194 PolarHBondContact O-N 3.05Å; N194-M196 PolarHBondContact O-N 2.87Å; N194-M196 PolarHBondContact OD1-N 3.08Å; N194-R197 HydrophobicContact CB-CB 4.13Å; N194-R197 WeakPolarHBondContact O-CB 3.22Å; N194-R197 VanDerWaalsContact O-CG 3.27Å; N194-R197 WeakPolarHBondContact O-CG 3.49Å; N194-R197 PolarHBondContact O-N 2.79Å; N194-R197 PolarHBondContact O-NH1 2.92Å |
| 195 | Q | 96.6 | Very high | 94.8 | Very high | 182 Ų | 182 | 87.3 Ų | 87.3 | 85% | 0.85 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -25.2 | -178.6 | -68.7 | -174.9 | -26.2 | 0 | 0 | 112.4 | P193 | P193-Q195 PolarHBondContact O-N 2.83Š|
| 196 | M | 96.6 | Very high | 95.1 | Very high | 97 Ų | 97 | 88.5 Ų | 88.5 | 48% | 0.478 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -0.5 | 179.1 | -60.4 | -172.3 | 69.9 | 0 | 0 | 113.2 | N194 F198 E199 L200 | N194-M196 PolarHBondContact O-N 2.87Å; N194-M196 PolarHBondContact OD1-N 3.08Å; M196-F198 PolarHBondContact O-N 3.24Å; M196-F198 VanDerWaalsContact O-N 3.11Å; M196-E199 PolarHBondContact O-N 2.76Å; M196-E199 VanDerWaalsContact O-N 3.09Å; M196-L200 HydrophobicContact CB-CD1 4.3Å; M196-L200 HydrophobicContact CB-CG 4.3Å; M196-L200 WeakPolarHBondContact O-CB 3.19Å; M196-L200 WeakPolarHBondContact O-CG 3.41Å; M196-L200 PolarHBondContact O-N 2.73Å |
| 197 | R | 97.4 | Very high | 95.5 | Very high | 57 Ų | 57 | 81.7 Ų | 81.7 | 22% | 0.215 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -55.7 | -36.3 | -171.9 | 70.4 | -174.2 | 177.7 | -86.8 | 1.4 | 113.8 | G153 N194 L201 | G153-R197 VanDerWaalsContact O-CB 3.22Å; G153-R197 WeakPolarHBondContact O-CB 3.27Å; N194-R197 HydrophobicContact CB-CB 4.13Å; N194-R197 WeakPolarHBondContact O-CB 3.22Å; N194-R197 VanDerWaalsContact O-CG 3.27Å; N194-R197 WeakPolarHBondContact O-CG 3.49Å; N194-R197 PolarHBondContact O-N 2.79Å; N194-R197 PolarHBondContact O-NH1 2.92Å; R197-L201 WeakPolarHBondContact O-CB 3.29Å; R197-L201 PolarHBondContact O-N 3.14Å |
| 198 | F | 97.6 | Very high | 96.1 | Very high | 135 Ų | 135 | 74.7 Ų | 74.7 | 59% | 0.592 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -74.3 | -40.1 | 179.9 | -62.3 | -62.8 | 0 | 0 | 0 | 112.1 | M196 L201 E202 | M196-F198 PolarHBondContact O-N 3.24Å; M196-F198 VanDerWaalsContact O-N 3.11Å; F198-L201 PolarHBondContact O-N 3.12Å; F198-E202 WeakPolarHBondContact O-CB 3.4Å; F198-E202 PolarHBondContact O-N 3.43Å |
| 199 | E | 97.8 | Very high | 96.5 | Very high | 118 Ų | 118 | 77.5 Ų | 77.5 | 55% | 0.551 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -66 | -42.5 | 175 | -177 | -175 | 167.1 | 0 | 0 | 111.2 | M196 L201 E202 S203 | M196-E199 PolarHBondContact O-N 2.76Å; M196-E199 VanDerWaalsContact O-N 3.09Å; E199-L201 VanDerWaalsContact C-N 3.34Å; E199-E202 PolarHBondContact O-N 2.97Å; E199-S203 PolarHBondContact O-N 3.44Å; E199-S203 VanDerWaalsContact O-N 3.13Å; E199-S203 PolarHBondContact O-OG 3.25Å |
| 200 | L | 98 | Very high | 97 | Very high | 25 Ų | 25 | 74.3 Ų | 74.3 | 13% | 0.131 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.6 | -49.2 | 171.8 | -70.6 | 172.7 | 0 | 0 | 0 | 109.8 | Y149 M196 E202 S203 A204 R207 | Y149-L200 HydrophobicContact CD1-CD1 3.96Å; Y149-L200 HydrophobicContact CE1-CB 3.71Å; Y149-L200 HydrophobicContact CE1-CD1 3.95Å; Y149-L200 HydrophobicContact CE2-CB 4.45Å; Y149-L200 HydrophobicContact CG-CD1 4.31Å; M196-L200 HydrophobicContact CB-CD1 4.3Å; M196-L200 HydrophobicContact CB-CG 4.3Å; M196-L200 WeakPolarHBondContact O-CB 3.19Å; M196-L200 WeakPolarHBondContact O-CG 3.41Å; M196-L200 PolarHBondContact O-N 2.73Å; L200-E202 VanDerWaalsContact C-N 3.35Å; L200-E202 PolarHBondContact O-N 3.37Å; L200-S203 CarbonylContact O-C 3.55Å; L200-S203 PolarHBondContact O-N 3.17Å; L200-S203 PolarHBondContact O-OG 2.73Å; L200-A204 PolarHBondContact O-N 3Å; L200-R207 PolarHBondContact O-NH1 2.9Å; L200-R207 PolarHBondContact O-NH2 3.02Å |
| 201 | L | 97.7 | Very high | 97.3 | Very high | 30 Ų | 30 | 70.6 Ų | 70.6 | 16% | 0.157 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.7 | -38.6 | -178.1 | -173.1 | 61 | 0 | 0 | 0 | 112.4 | Y149 D157 D158 K161 R197 F198 E199 S203 A204 | Y149-L201 PolarHBondContact OH-N 3.18Å; D157-L201 HydrophobicContact CB-CD1 3.61Å; D157-L201 HydrophobicContact CB-CD2 3.7Å; D157-L201 HydrophobicContact CB-CG 4.32Å; D158-L201 HydrophobicContact CB-CD1 4.45Å; K161-L201 HydrophobicContact CD-CD1 3.78Å; K161-L201 HydrophobicContact CG-CD1 4.4Å; K161-L201 PolarHBondContact NZ-O 3.11Å; R197-L201 WeakPolarHBondContact O-CB 3.29Å; R197-L201 PolarHBondContact O-N 3.14Å; F198-L201 PolarHBondContact O-N 3.12Å; E199-L201 VanDerWaalsContact C-N 3.34Å; L201-S203 VanDerWaalsContact C-N 3.31Å; L201-S203 PolarHBondContact O-N 3.34Å; L201-A204 VanDerWaalsContact O-CB 3.31Å; L201-A204 WeakPolarHBondContact O-CB 3.24Å; L201-A204 PolarHBondContact O-N 3.46Å |
| 202 | E | 97.7 | Very high | 97.5 | Very high | 166 Ų | 166 | 69.5 Ų | 69.5 | 78% | 0.776 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -59.5 | -43.3 | 175.7 | -176 | 176.7 | -175.7 | 0 | 0 | 111.2 | F198 E199 L200 | F198-E202 WeakPolarHBondContact O-CB 3.4Å; F198-E202 PolarHBondContact O-N 3.43Å; E199-E202 PolarHBondContact O-N 2.97Å; L200-E202 VanDerWaalsContact C-N 3.35Å; L200-E202 PolarHBondContact O-N 3.37Å |
| 203 | S | 96.9 | Very high | 97.6 | Very high | 47 Ų | 47 | 68.4 Ų | 68.4 | 33% | 0.329 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 6.5 | -177.2 | 55 | 0 | 0 | 0 | 0 | 114.5 | E199 L200 L201 E205 S206 R207 | E199-S203 PolarHBondContact O-N 3.44Å; E199-S203 VanDerWaalsContact O-N 3.13Å; E199-S203 PolarHBondContact O-OG 3.25Å; L200-S203 CarbonylContact O-C 3.55Å; L200-S203 PolarHBondContact O-N 3.17Å; L200-S203 PolarHBondContact O-OG 2.73Å; L201-S203 VanDerWaalsContact C-N 3.31Å; L201-S203 PolarHBondContact O-N 3.34Å; S203-E205 PolarHBondContact O-N 2.87Å; S203-S206 PolarHBondContact O-N 2.57Å; S203-S206 PolarHBondContact O-OG 2.82Å; S203-R207 VanDerWaalsContact C-NH1 3.3Å; S203-R207 PolarHBondContact O-NH1 3.37Å; S203-R207 PolarHBondContact OG-NH1 2.8Å |
| 204 | A | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -52.5 | -49.6 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114 | D158 K161 L200 L201 S206 R207 F208 | D158-A204 VanDerWaalsContact OD2-CB 3.3Å; D158-A204 WeakPolarHBondContact OD2-CB 3.34Å; K161-A204 HydrophobicContact CD-CB 4.16Å; L200-A204 PolarHBondContact O-N 3Å; L201-A204 VanDerWaalsContact O-CB 3.31Å; L201-A204 WeakPolarHBondContact O-CB 3.24Å; L201-A204 PolarHBondContact O-N 3.46Å; A204-S206 PolarHBondContact O-N 2.79Å; A204-S206 VanDerWaalsContact O-N 3.15Å; A204-R207 PolarHBondContact O-N 2.92Å; A204-F208 VanDerWaalsContact C-CE1 3.42Å; A204-F208 HydrophobicContact CB-CE1 3.9Å; A204-F208 HydrophobicContact CB-CZ 4.31Å; A204-F208 WeakPolarHBondContact O-CD1 3.25Å; A204-F208 VanDerWaalsContact O-CE1 3.25Å; A204-F208 WeakPolarHBondContact O-CE1 3.25Å |
| 205 | E | 97.8 | Very high | 97.7 | Very high | 114 Ų | 114 | 74.2 Ų | 74.2 | 53% | 0.533 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -58.3 | -33.9 | -176 | -65.3 | -174.7 | -164.4 | 0 | 0 | 112.8 | Y165 S203 R207 F208 | Y165-E205 HydrophobicContact CD2-CG 4.35Å; S203-E205 PolarHBondContact O-N 2.87Å; E205-R207 PolarHBondContact O-N 3.45Å; E205-R207 VanDerWaalsContact O-N 3.16Å; E205-F208 HydrophobicContact CB-CD2 4.4Å; E205-F208 HydrophobicContact CB-CE2 4.09Å; E205-F208 HydrophobicContact CB-CZ 4.36Å; E205-F208 HydrophobicContact CG-CD2 4.46Å; E205-F208 HydrophobicContact CG-CE2 3.7Å; E205-F208 HydrophobicContact CG-CZ 3.89Å; E205-F208 PolarHBondContact O-N 3.36Å |
| 206 | S | 97.7 | Very high | 97.8 | Very high | 93 Ų | 93 | 66.4 Ų | 66.4 | 65% | 0.65 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -66.1 | -18.5 | 178.5 | 71.3 | 0 | 0 | 0 | 0 | 113.2 | S203 A204 | S203-S206 PolarHBondContact O-N 2.57Å; S203-S206 PolarHBondContact O-OG 2.82Å; A204-S206 PolarHBondContact O-N 2.79Å; A204-S206 VanDerWaalsContact O-N 3.15Å |
| 207 | R | 97.8 | Very high | 97.9 | Very high | 34 Ų | 34 | 68 Ų | 68 | 13% | 0.128 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -101.8 | -4.7 | -178.5 | -61 | -169.2 | -57.9 | -76.6 | -3.8 | 114.4 | D158 L200 S203 A204 E205 N209 T210 D211 | D158-R207 IonicContact OD2-NH2 3.47Å; D158-R207 PolarHBondContact OD2-NH2 2.74Å; L200-R207 PolarHBondContact O-NH1 2.9Å; L200-R207 PolarHBondContact O-NH2 3.02Å; S203-R207 VanDerWaalsContact C-NH1 3.3Å; S203-R207 PolarHBondContact O-NH1 3.37Å; S203-R207 PolarHBondContact OG-NH1 2.8Å; A204-R207 PolarHBondContact O-N 2.92Å; E205-R207 PolarHBondContact O-N 3.45Å; E205-R207 VanDerWaalsContact O-N 3.16Å; R207-N209 PolarHBondContact O-N 3.11Å; R207-T210 WeakPolarHBondContact CA-OG1 3.23Å; R207-T210 PolarHBondContact O-N 2.69Å; R207-T210 PolarHBondContact O-OG1 3.19Å; R207-D211 HydrophobicContact CB-CB 4.15Å; R207-D211 PolarHBondContact O-N 2.92Å |
| 208 | F | 98.1 | Very high | 97.9 | Very high | 1 Ų | 1 | 67.6 Ų | 67.6 | 0% | 0.004 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -29.1 | -173.6 | -69.6 | -7.9 | 0 | 0 | 0 | 114 | K161 R162 Y165 A204 E205 | K161-F208 HydrophobicContact CB-CZ 3.8Å; R162-F208 HydrophobicContact CB-CE1 4.42Å; R162-F208 HydrophobicContact CB-CZ 4.34Å; R162-F208 HydrophobicContact CG-CD1 3.5Å; R162-F208 VanDerWaalsContact CG-CD1 3.5Å; R162-F208 HydrophobicContact CG-CD2 4.29Å; R162-F208 HydrophobicContact CG-CE1 3.27Å; R162-F208 HydrophobicContact CG-CE2 4.11Å; R162-F208 HydrophobicContact CG-CG 4.01Å; R162-F208 HydrophobicContact CG-CZ 3.61Å; R162-F208 PolarHBondContact NH1-O 3.38Å; Y165-F208 AromaticContact CD1-CD2 3.79Å; Y165-F208 HydrophobicContact CD1-CD2 3.79Å; Y165-F208 HydrophobicContact CD1-CE2 4.23Å; Y165-F208 HydrophobicContact CD2-CD2 4.01Å; Y165-F208 AromaticContact CD2-CE2 3.93Å; Y165-F208 HydrophobicContact CD2-CE2 3.93Å; Y165-F208 HydrophobicContact CE1-CD2 4.27Å; Y165-F208 HydrophobicContact CE2-CD2 4.47Å; Y165-F208 AromaticContact CG-CD2 3.66Å; Y165-F208 HydrophobicContact CG-CD2 3.66Å; Y165-F208 AromaticContact CG-CE2 3.65Å; Y165-F208 HydrophobicContact CG-CE2 3.65Å; A204-F208 VanDerWaalsContact C-CE1 3.42Å; A204-F208 HydrophobicContact CB-CE1 3.9Å; A204-F208 HydrophobicContact CB-CZ 4.31Å; A204-F208 WeakPolarHBondContact O-CD1 3.25Å; A204-F208 VanDerWaalsContact O-CE1 3.25Å; A204-F208 WeakPolarHBondContact O-CE1 3.25Å; E205-F208 HydrophobicContact CB-CD2 4.4Å; E205-F208 HydrophobicContact CB-CE2 4.09Å; E205-F208 HydrophobicContact CB-CZ 4.36Å; E205-F208 HydrophobicContact CG-CD2 4.46Å; E205-F208 HydrophobicContact CG-CE2 3.7Å; E205-F208 HydrophobicContact CG-CZ 3.89Å; E205-F208 PolarHBondContact O-N 3.36Å |
| 209 | N | 96.6 | Very high | 98 | Very high | 108 Ų | 108 | 65.2 Ų | 65.2 | 58% | 0.578 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -3.5 | 179.4 | -61.4 | -34.7 | 0 | 0 | 0 | 113.8 | Y166 R207 | Y166-N209 PolarHBondContact OH-OD1 2.61Å; Y166-N209 VanDerWaalsContact OH-OD1 3.11Å; R207-N209 PolarHBondContact O-N 3.11Å |
| 210 | T | 98 | Very high | 98 | Very high | 98 Ų | 98 | 61.6 Ų | 61.6 | 60% | 0.601 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.8 | -12.6 | -176.1 | 61.4 | 0 | 0 | 0 | 0 | 113.6 | R207 T215 | R207-T210 WeakPolarHBondContact CA-OG1 3.23Å; R207-T210 PolarHBondContact O-N 2.69Å; R207-T210 PolarHBondContact O-OG1 3.19Å; T210-T215 WeakPolarHBondContact O-CG2 3.43Å |
| 211 | D | 98.5 | Very high | 98 | Very high | 12 Ų | 12 | 65.2 Ų | 65.2 | 6% | 0.064 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -134.4 | 122.6 | 177.2 | -179.8 | 20.6 | 0 | 0 | 0 | 109.1 | S146 N147 S148 R162 R207 | S146-D211 WeakPolarHBondContact CA-OD2 3.46Å; S146-D211 VanDerWaalsContact CB-OD2 3.29Å; S146-D211 WeakPolarHBondContact CB-OD2 3.43Å; S146-D211 PolarHBondContact OG-OD2 2.9Å; N147-D211 WeakPolarHBondContact CB-OD1 3.48Å; N147-D211 PolarHBondContact N-OD1 2.8Å; N147-D211 PolarHBondContact N-OD2 2.87Å; N147-D211 PolarHBondContact ND2-OD1 2.8Å; N147-D211 VanDerWaalsContact ND2-OD1 3.08Å; S148-D211 PolarHBondContact OG-OD2 2.91Å; R162-D211 VanDerWaalsContact CZ-O 3.29Å; R162-D211 PolarHBondContact NH1-O 2.89Å; R162-D211 PolarHBondContact NH2-O 2.87Å; R207-D211 HydrophobicContact CB-CB 4.15Å; R207-D211 PolarHBondContact O-N 2.92Å |
| 212 | G | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 36% | 0.357 | C | S | . | . | S | Bend | trans | 179.6 | -176 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G143 F145 N147 W214 T215 | G143-G212 CarbonylContact O-C 3.51Å; G143-G212 WeakPolarHBondContact O-CA 3.39Å; F145-G212 WeakPolarHBondContact O-CA 3.45Å; N147-G212 PolarHBondContact ND2-O 3.3Å; G212-W214 PolarHBondContact O-N 2.82Å; G212-W214 VanDerWaalsContact O-N 3.12Å; G212-T215 PolarHBondContact N-OG1 3.35Å; G212-T215 PolarHBondContact O-N 3.11Å; G212-T215 PolarHBondContact O-OG1 3.27Å |
| 213 | Y | 98.7 | Very high | 97.9 | Very high | 56 Ų | 56 | 62.5 Ų | 62.5 | 22% | 0.22 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -56.7 | -34 | -176.1 | 76.1 | -91.6 | 0 | 0 | 0 | 113.2 | F74 I75 F139 G143 T215 S216 | F74-Y213 HydrophobicContact CD1-CD2 4.07Å; F74-Y213 HydrophobicContact CD1-CG 4.19Å; F74-Y213 AromaticContact CE1-CD2 3.92Å; F74-Y213 HydrophobicContact CE1-CD2 3.92Å; F74-Y213 AromaticContact CE1-CE2 3.95Å; F74-Y213 HydrophobicContact CE1-CE2 3.95Å; F74-Y213 HydrophobicContact CE1-CG 4.22Å; I75-Y213 HydrophobicContact CD1-CD2 4.42Å; I75-Y213 WeakPolarHBondContact CD1-O 3.28Å; I75-Y213 HydrophobicContact CG1-CD2 4.16Å; F139-Y213 HydrophobicContact CD1-CD1 4.47Å; F139-Y213 HydrophobicContact CE1-CD1 4.19Å; F139-Y213 HydrophobicContact CE1-CG 4.33Å; G143-Y213 WeakPolarHBondContact O-CD1 3.31Å; G143-Y213 PolarHBondContact O-N 3.33Å; Y213-T215 PolarHBondContact O-N 3.41Å; Y213-S216 WeakPolarHBondContact O-CB 3.32Å; Y213-S216 PolarHBondContact O-N 2.9Å; Y213-S216 PolarHBondContact O-OG 3.08Å |
| 214 | W | 97.9 | Very high | 97.9 | Very high | 128 Ų | 128 | 63.5 Ų | 63.5 | 49% | 0.485 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -70.1 | -14.9 | 179.2 | 67.1 | 85.4 | 0 | 0 | 0 | 113.7 | G212 | G212-W214 PolarHBondContact O-N 2.82Å; G212-W214 VanDerWaalsContact O-N 3.12Å |
| 215 | T | 98.5 | Very high | 97.7 | Very high | 58 Ų | 58 | 64.5 Ų | 64.5 | 36% | 0.356 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -100 | 1.6 | 175.3 | 60.1 | 0 | 0 | 0 | 0 | 113.4 | N147 T210 G212 Y213 N217 | N147-T215 PolarHBondContact ND2-OG1 3.49Å; T210-T215 WeakPolarHBondContact O-CG2 3.43Å; G212-T215 PolarHBondContact N-OG1 3.35Å; G212-T215 PolarHBondContact O-N 3.11Å; G212-T215 PolarHBondContact O-OG1 3.27Å; Y213-T215 PolarHBondContact O-N 3.41Å; T215-N217 PolarHBondContact O-N 2.88Å; T215-N217 VanDerWaalsContact O-N 3.11Å |
| 216 | S | 98.5 | Very high | 97.5 | Very high | 18 Ų | 18 | 61.8 Ų | 61.8 | 13% | 0.126 | 33% | 0.33 | C | S | . | . | trans | -61.4 | 116.6 | -179.8 | -63 | 0 | 0 | 0 | 0 | 110.5 | N71 N147 Y213 Y218 | N71-S216 VanDerWaalsContact CB-OG 3.29Å; N71-S216 WeakPolarHBondContact CB-OG 3.41Å; N147-S216 PolarHBondContact OD1-OG 3.27Å; Y213-S216 WeakPolarHBondContact O-CB 3.32Å; Y213-S216 PolarHBondContact O-N 2.9Å; Y213-S216 PolarHBondContact O-OG 3.08Å; S216-Y218 WeakPolarHBondContact O-CD1 3.5Å | ||
| 217 | N | 98.1 | Very high | 97.2 | Very high | 131 Ų | 131 | 61.2 Ų | 61.2 | 70% | 0.701 | 31% | 0.314 | S | S | * | . | trans | -97.6 | 112.1 | 176.5 | -173.8 | 19.6 | 0 | 0 | 0 | 109.4 | T215 | T215-N217 PolarHBondContact O-N 2.88Å; T215-N217 VanDerWaalsContact O-N 3.11Å | ||
| 218 | Y | 98.5 | Very high | 96.8 | Very high | 47 Ų | 47 | 68 Ų | 68 | 18% | 0.184 | 35% | 0.353 | C | S | . | . | trans | -156.8 | 161.3 | -178.8 | 67.3 | -79.7 | 0 | 0 | 0 | 111 | V72 I75 E76 S216 V220 V236 T237 | V72-Y218 HydrophobicContact CG1-CD2 4.02Å; V72-Y218 HydrophobicContact CG1-CE2 3.87Å; V72-Y218 HydrophobicContact CG2-CD1 3.53Å; V72-Y218 HydrophobicContact CG2-CD2 3.9Å; V72-Y218 HydrophobicContact CG2-CE1 3.81Å; V72-Y218 HydrophobicContact CG2-CE2 4.16Å; V72-Y218 HydrophobicContact CG2-CG 3.57Å; I75-Y218 HydrophobicContact CD1-CE1 4.06Å; I75-Y218 VanDerWaalsContact CG2-OH 3.24Å; I75-Y218 WeakPolarHBondContact CG2-OH 3.47Å; E76-Y218 HydrophobicContact CG-CE2 3.99Å; E76-Y218 VanDerWaalsContact OE1-CE2 3.25Å; E76-Y218 WeakPolarHBondContact OE1-CE2 3.42Å; E76-Y218 PolarHBondContact OE1-OH 2.8Å; S216-Y218 WeakPolarHBondContact O-CD1 3.5Å; Y218-V220 HydrophobicContact CD2-CG2 4.21Å; Y218-V220 HydrophobicContact CE2-CG2 3.83Å; Y218-V236 HydrophobicContact CD2-CB 4.34Å; Y218-V236 HydrophobicContact CD2-CG1 3.99Å; Y218-T237 CarbonylContact C-O 3.6Å; Y218-T237 WeakPolarHBondContact CA-O 3.27Å; Y218-T237 WeakPolarHBondContact CB-O 3.33Å | ||
| 219 | T | 98.5 | Very high | 96.5 | Very high | 85 Ų | 85 | 68.8 Ų | 68.8 | 52% | 0.521 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 128.6 | 171.9 | -60.7 | 0 | 0 | 0 | 0 | 109.4 | I221 V236 T237 | T219-I221 PolarHBondContact O-N 3.17Å; T219-V236 CarbonylContact O-C 3.4Å; T219-V236 VanDerWaalsContact O-CA 3.23Å; T219-V236 WeakPolarHBondContact O-CA 3.46Å; T219-T237 PolarHBondContact N-O 3.25Å; T219-T237 PolarHBondContact O-N 2.88Å |
| 220 | V | 98.5 | Very high | 96.4 | Very high | 43 Ų | 43 | 66.5 Ų | 66.5 | 26% | 0.261 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 118.3 | 172.4 | -178.7 | 0 | 0 | 0 | 0 | 109.5 | E76 Y218 A223 I234 V236 | E76-V220 HydrophobicContact CG-CG2 4.48Å; Y218-V220 HydrophobicContact CD2-CG2 4.21Å; Y218-V220 HydrophobicContact CE2-CG2 3.83Å; V220-A223 HydrophobicContact CG1-CB 4.27Å; V220-I234 HydrophobicContact CG1-CG2 4.05Å; V220-I234 HydrophobicContact CG2-CG2 4.46Å; V220-V236 HydrophobicContact CG2-CG1 4.17Å |
| 221 | I | 98.2 | Very high | 96.3 | Very high | 100 Ų | 100 | 61.9 Ų | 61.9 | 51% | 0.513 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | -45.8 | 175.9 | -65.4 | 167.5 | 0 | 0 | 0 | 110.3 | E59 T219 S235 T237 | E59-I221 HydrophobicContact CB-CD1 3.73Å; E59-I221 HydrophobicContact CG-CD1 3.68Å; T219-I221 PolarHBondContact O-N 3.17Å; I221-S235 PolarHBondContact N-O 2.85Å; I221-T237 HydrophobicContact CD1-CG2 3.44Å; I221-T237 VanDerWaalsContact CD1-CG2 3.44Å; I221-T237 HydrophobicContact CG1-CG2 4.38Å |
| 222 | K | 97 | Very high | 96.3 | Very high | 108 Ų | 108 | 62 Ų | 62 | 47% | 0.47 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 139.5 | -178.8 | -177.7 | 179.4 | 176.9 | -176.5 | 0 | 109.8 | I234 S235 | K222-I234 CarbonylContact O-C 3.53Å; K222-I234 WeakPolarHBondContact O-CA 3.2Å; K222-S235 PolarHBondContact N-O 2.66Å; K222-S235 PolarHBondContact O-N 2.86Å |
| 223 | A | 96.6 | Very high | 96.2 | Very high | 32 Ų | 32 | 63.5 Ų | 63.5 | 26% | 0.264 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 121.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | V220 Y232 W233 I234 | V220-A223 HydrophobicContact CG1-CB 4.27Å; A223-Y232 HydrophobicContact CB-CE1 4.19Å; A223-W233 CarbonylContact C-O 3.54Å; A223-W233 VanDerWaalsContact CA-O 3.27Å; A223-W233 WeakPolarHBondContact CA-O 3.49Å; A223-I234 HydrophobicContact CB-CG1 4.33Å; A223-I234 HydrophobicContact CB-CG2 4.34Å |
| 224 | D | 95.1 | Very high | 96.2 | Very high | 67 Ų | 67 | 60.8 Ų | 60.8 | 36% | 0.358 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 163.4 | -176.7 | -152.9 | -6 | 0 | 0 | 0 | 113 | W233 | D224-W233 PolarHBondContact N-O 2.82Å; D224-W233 PolarHBondContact O-N 3.07Å |
| 225 | S | 94.2 | Very high | 96.2 | Very high | 22 Ų | 22 | 54.9 Ų | 54.9 | 15% | 0.154 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 132.6 | 168.4 | -175 | 0 | 0 | 0 | 0 | 111.5 | V6 G229 | V6-S225 VanDerWaalsContact CG2-CA 3.41Å; V6-S225 WeakPolarHBondContact CG2-OG 3.3Å; S225-G229 WeakPolarHBondContact OG-CA 3.43Å; S225-G229 PolarHBondContact OG-N 2.97Å |
| 226 | L | 93.3 | Very high | 96.3 | Very high | 56 Ų | 56 | 52.1 Ų | 52.1 | 29% | 0.293 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 166.6 | 168.6 | -64.2 | -175.9 | 0 | 0 | 0 | 111.3 | N228 G229 L230 I231 W233 | L226-N228 VanDerWaalsContact C-N 3.32Å; L226-N228 PolarHBondContact O-N 3.43Å; L226-G229 PolarHBondContact O-N 3.25Å; L226-L230 PolarHBondContact O-N 2.79Å; L226-I231 HydrophobicContact CB-CD1 4.08Å; L226-I231 HydrophobicContact CB-CG1 3.82Å; L226-I231 PolarHBondContact N-O 2.73Å; L226-I231 PolarHBondContact O-N 3.15Å; L226-W233 HydrophobicContact CD1-CB 3.51Å; L226-W233 HydrophobicContact CD1-CD2 3.57Å; L226-W233 HydrophobicContact CD1-CE3 3.64Å; L226-W233 HydrophobicContact CD1-CG 3.54Å; L226-W233 HydrophobicContact CD1-CZ3 4.43Å; L226-W233 HydrophobicContact CG-CB 3.73Å; L226-W233 HydrophobicContact CG-CG 4.25Å |
| 227 | Y | 91.4 | Very high | 96.2 | Very high | 82 Ų | 82 | 54 Ų | 54 | 32% | 0.322 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 46.9 | 179.3 | -62.6 | -88 | 0 | 0 | 0 | 112.6 | L33 R34 G229 L230 I231 | L33-Y227 HydrophobicContact CD2-CE2 4.25Å; R34-Y227 HydrophobicContact CG-CE1 4.18Å; Y227-G229 VanDerWaalsContact C-N 3.32Å; Y227-G229 PolarHBondContact O-N 3.21Å; Y227-L230 VanDerWaalsContact O-CB 3.32Å; Y227-L230 WeakPolarHBondContact O-CB 3.21Å; Y227-L230 WeakPolarHBondContact O-CD1 3.3Å; Y227-L230 WeakPolarHBondContact O-CG 3.23Å; Y227-L230 PolarHBondContact O-N 3.2Å; Y227-I231 HydrophobicContact CD2-CD1 3.44Å; Y227-I231 VanDerWaalsContact CD2-CD1 3.44Å; Y227-I231 HydrophobicContact CD2-CG1 3.79Å; Y227-I231 HydrophobicContact CE2-CD1 3.6Å; Y227-I231 HydrophobicContact CE2-CG1 4.44Å |
| 228 | N | 90 | Very high | 96.1 | Very high | 176 Ų | 176 | 49.8 Ų | 49.8 | 94% | 0.941 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 41.1 | -179 | -55.9 | -23.5 | 0 | 0 | 0 | 113.7 | L226 | L226-N228 VanDerWaalsContact C-N 3.32Å; L226-N228 PolarHBondContact O-N 3.43Å |
| 229 | G | 91.7 | Very high | 96 | Very high | 18 Ų | 18 | 49.9 Ų | 49.9 | 19% | 0.186 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88 | 3.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | S225 L226 Y227 | S225-G229 WeakPolarHBondContact OG-CA 3.43Å; S225-G229 PolarHBondContact OG-N 2.97Å; L226-G229 PolarHBondContact O-N 3.25Å; Y227-G229 VanDerWaalsContact C-N 3.32Å; Y227-G229 PolarHBondContact O-N 3.21Å |
| 230 | L | 94.8 | Very high | 95.9 | Very high | 60 Ų | 60 | 48.1 Ų | 48.1 | 31% | 0.314 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -36.3 | -180 | -71.5 | -179.4 | 0 | 0 | 0 | 112.3 | V37 H41 L226 Y227 | V37-L230 HydrophobicContact CG1-CB 4.08Å; V37-L230 HydrophobicContact CG1-CD1 4.07Å; H41-L230 PolarHBondContact CE1-O 3.15Å; H41-L230 VanDerWaalsContact NE2-CB 3.33Å; H41-L230 WeakPolarHBondContact NE2-CB 3.07Å; H41-L230 PolarHBondContact NE2-O 2.72Å; L226-L230 PolarHBondContact O-N 2.79Å; Y227-L230 VanDerWaalsContact O-CB 3.32Å; Y227-L230 WeakPolarHBondContact O-CB 3.21Å; Y227-L230 WeakPolarHBondContact O-CD1 3.3Å; Y227-L230 WeakPolarHBondContact O-CG 3.23Å; Y227-L230 PolarHBondContact O-N 3.2Å |
| 231 | I | 96.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 149.8 | 176.9 | 70 | 177.8 | 0 | 0 | 0 | 111.7 | V6 L33 V37 I53 V55 L226 Y227 W233 | V6-I231 WeakPolarHBondContact CG2-O 3.33Å; L33-I231 HydrophobicContact CD2-CD1 4.3Å; V37-I231 HydrophobicContact CG1-CG2 4.22Å; V37-I231 HydrophobicContact CG2-CG2 3.53Å; I53-I231 HydrophobicContact CB-CG2 4.12Å; I53-I231 HydrophobicContact CG2-CG2 3.92Å; I53-I231 WeakPolarHBondContact O-CA 3.19Å; V55-I231 HydrophobicContact CB-CD1 4.37Å; V55-I231 HydrophobicContact CG2-CB 4.28Å; V55-I231 HydrophobicContact CG2-CD1 3.79Å; V55-I231 HydrophobicContact CG2-CG2 4.44Å; L226-I231 HydrophobicContact CB-CD1 4.08Å; L226-I231 HydrophobicContact CB-CG1 3.82Å; L226-I231 PolarHBondContact N-O 2.73Å; L226-I231 PolarHBondContact O-N 3.15Å; Y227-I231 HydrophobicContact CD2-CD1 3.44Å; Y227-I231 VanDerWaalsContact CD2-CD1 3.44Å; Y227-I231 HydrophobicContact CD2-CG1 3.79Å; Y227-I231 HydrophobicContact CE2-CD1 3.6Å; Y227-I231 HydrophobicContact CE2-CG1 4.44Å; I231-W233 HydrophobicContact CD1-CE3 4.24Å |
| 232 | Y | 97.5 | Very high | 95.6 | Very high | 14 Ų | 14 | 45.3 Ų | 45.3 | 6% | 0.055 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 113.8 | 164.9 | -159.6 | -110.5 | 0 | 0 | 0 | 109.6 | S4 V6 I53 F54 V55 R79 V80 A223 I234 | S4-Y232 VanDerWaalsContact CB-CE2 3.47Å; S4-Y232 VanDerWaalsContact OG-CE2 3.26Å; S4-Y232 WeakPolarHBondContact OG-CE2 3.44Å; V6-Y232 HydrophobicContact CB-CD2 3.8Å; V6-Y232 HydrophobicContact CB-CG 4.45Å; V6-Y232 HydrophobicContact CG2-CD2 3.69Å; V6-Y232 HydrophobicContact CG2-CG 4.39Å; I53-Y232 PolarHBondContact O-N 3.45Å; F54-Y232 CarbonylContact C-O 3.55Å; F54-Y232 WeakPolarHBondContact CA-O 3.46Å; F54-Y232 AromaticContact CD1-CD1 3.77Å; F54-Y232 HydrophobicContact CD1-CD1 3.77Å; F54-Y232 HydrophobicContact CD1-CG 4.27Å; F54-Y232 AromaticContact CE1-CD1 3.75Å; F54-Y232 HydrophobicContact CE1-CD1 3.75Å; F54-Y232 HydrophobicContact CE1-CG 4.19Å; V55-Y232 PolarHBondContact N-O 3.01Å; R79-Y232 HydrophobicContact CB-CE1 4.28Å; V80-Y232 HydrophobicContact CG2-CD1 4.24Å; V80-Y232 HydrophobicContact CG2-CD2 4.35Å; V80-Y232 HydrophobicContact CG2-CE1 4.42Å; V80-Y232 HydrophobicContact CG2-CG 4.18Å; A223-Y232 HydrophobicContact CB-CE1 4.19Å; Y232-I234 HydrophobicContact CD1-CD1 3.77Å; Y232-I234 HydrophobicContact CD1-CG1 3.71Å; Y232-I234 HydrophobicContact CE1-CD1 3.79Å; Y232-I234 HydrophobicContact CE1-CG1 3.85Å |
| 233 | W | 97.6 | Very high | 95.5 | Very high | 32 Ų | 32 | 41.4 Ų | 41.4 | 12% | 0.121 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 130.6 | -177.7 | 179.2 | -79.6 | 0 | 0 | 0 | 110.7 | Y26 L33 V55 N57 A223 D224 L226 I231 S235 | Y26-W233 AromaticContact CD1-CH2 3.6Å; Y26-W233 HydrophobicContact CD1-CH2 3.6Å; Y26-W233 HydrophobicContact CD1-CZ2 4.42Å; Y26-W233 AromaticContact CD1-CZ3 3.94Å; Y26-W233 HydrophobicContact CD1-CZ3 3.94Å; Y26-W233 AromaticContact CE1-CH2 3.33Å; Y26-W233 HydrophobicContact CE1-CH2 3.33Å; Y26-W233 HydrophobicContact CE1-CZ2 4.35Å; Y26-W233 AromaticContact CE1-CZ3 3.82Å; Y26-W233 HydrophobicContact CE1-CZ3 3.82Å; L33-W233 HydrophobicContact CD2-CE3 4.39Å; L33-W233 HydrophobicContact CD2-CZ3 3.69Å; V55-W233 HydrophobicContact CB-CE3 3.95Å; V55-W233 HydrophobicContact CB-CZ3 4.47Å; V55-W233 HydrophobicContact CG1-CE3 3.63Å; V55-W233 HydrophobicContact CG1-CZ3 3.69Å; N57-W233 HydrophobicContact CB-CD2 4.41Å; N57-W233 HydrophobicContact CB-CH2 3.96Å; N57-W233 HydrophobicContact CB-CZ2 3.34Å; A223-W233 CarbonylContact C-O 3.54Å; A223-W233 VanDerWaalsContact CA-O 3.27Å; A223-W233 WeakPolarHBondContact CA-O 3.49Å; D224-W233 PolarHBondContact N-O 2.82Å; D224-W233 PolarHBondContact O-N 3.07Å; L226-W233 HydrophobicContact CD1-CB 3.51Å; L226-W233 HydrophobicContact CD1-CD2 3.57Å; L226-W233 HydrophobicContact CD1-CE3 3.64Å; L226-W233 HydrophobicContact CD1-CG 3.54Å; L226-W233 HydrophobicContact CD1-CZ3 4.43Å; L226-W233 HydrophobicContact CG-CB 3.73Å; L226-W233 HydrophobicContact CG-CG 4.25Å; I231-W233 HydrophobicContact CD1-CE3 4.24Å; W233-S235 PolarHBondContact NE1-OG 3.43Å |
| 234 | I | 98 | Very high | 95.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 108.1 | 177.3 | -46.8 | -173.8 | 0 | 0 | 0 | 108.9 | F54 V55 I56 N57 E76 V220 K222 A223 Y232 V236 | F54-I234 HydrophobicContact CD1-CD1 4.37Å; V55-I234 PolarHBondContact O-N 2.87Å; I56-I234 CarbonylContact C-O 3.58Å; I56-I234 WeakPolarHBondContact CA-O 3.39Å; I56-I234 HydrophobicContact CD1-CB 4.04Å; I56-I234 HydrophobicContact CD1-CD1 3.97Å; I56-I234 HydrophobicContact CD1-CG1 4.17Å; N57-I234 PolarHBondContact N-O 3.36Å; E76-I234 HydrophobicContact CB-CD1 3.5Å; E76-I234 VanDerWaalsContact CB-CD1 3.5Å; E76-I234 HydrophobicContact CG-CD1 4.4Å; V220-I234 HydrophobicContact CG1-CG2 4.05Å; V220-I234 HydrophobicContact CG2-CG2 4.46Å; K222-I234 CarbonylContact O-C 3.53Å; K222-I234 WeakPolarHBondContact O-CA 3.2Å; A223-I234 HydrophobicContact CB-CG1 4.33Å; A223-I234 HydrophobicContact CB-CG2 4.34Å; Y232-I234 HydrophobicContact CD1-CD1 3.77Å; Y232-I234 HydrophobicContact CD1-CG1 3.71Å; Y232-I234 HydrophobicContact CE1-CD1 3.79Å; Y232-I234 HydrophobicContact CE1-CG1 3.85Å; I234-V236 HydrophobicContact CG2-CG1 3.92Å |
| 235 | S | 98.5 | Very high | 95.4 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 3% | 0.028 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 126.3 | 171.3 | -80.6 | 0 | 0 | 0 | 0 | 110.1 | N57 E59 I221 K222 W233 | N57-S235 PolarHBondContact ND2-OG 3.05Å; N57-S235 CarbonylContact O-C 3.52Å; N57-S235 WeakPolarHBondContact O-CA 3.22Å; E59-S235 VanDerWaalsContact OE1-CB 3.26Å; E59-S235 WeakPolarHBondContact OE1-CB 3.26Å; E59-S235 PolarHBondContact OE1-OG 2.95Å; I221-S235 PolarHBondContact N-O 2.85Å; K222-S235 PolarHBondContact N-O 2.66Å; K222-S235 PolarHBondContact O-N 2.86Å; W233-S235 PolarHBondContact NE1-OG 3.43Å |
| 236 | V | 98.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 148.1 | 179.4 | -58.5 | 0 | 0 | 0 | 0 | 112.1 | I56 N57 E59 L69 V72 Y218 T219 V220 I234 V238 | I56-V236 HydrophobicContact CG2-CG2 4.23Å; N57-V236 PolarHBondContact O-N 2.89Å; E59-V236 WeakPolarHBondContact CB-O 3.23Å; E59-V236 PolarHBondContact N-O 2.93Å; L69-V236 HydrophobicContact CD2-CG2 3.68Å; V72-V236 HydrophobicContact CG1-CG1 3.86Å; V72-V236 HydrophobicContact CG1-CG2 4.39Å; Y218-V236 HydrophobicContact CD2-CB 4.34Å; Y218-V236 HydrophobicContact CD2-CG1 3.99Å; T219-V236 CarbonylContact O-C 3.4Å; T219-V236 VanDerWaalsContact O-CA 3.23Å; T219-V236 WeakPolarHBondContact O-CA 3.46Å; V220-V236 HydrophobicContact CG2-CG1 4.17Å; I234-V236 HydrophobicContact CG2-CG1 3.92Å; V236-V238 HydrophobicContact CG2-CG1 3.83Å |
| 237 | T | 98.2 | Very high | 95.7 | Very high | 56 Ų | 56 | 40.4 Ų | 40.4 | 34% | 0.344 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 142 | 160.2 | 45 | 0 | 0 | 0 | 0 | 110.1 | E59 Y218 T219 I221 | E59-T237 HydrophobicContact CB-CG2 4.16Å; Y218-T237 CarbonylContact C-O 3.6Å; Y218-T237 WeakPolarHBondContact CA-O 3.27Å; Y218-T237 WeakPolarHBondContact CB-O 3.33Å; T219-T237 PolarHBondContact N-O 3.25Å; T219-T237 PolarHBondContact O-N 2.88Å; I221-T237 HydrophobicContact CD1-CG2 3.44Å; I221-T237 VanDerWaalsContact CD1-CG2 3.44Å; I221-T237 HydrophobicContact CG1-CG2 4.38Å |
| 238 | V | 95.3 | Very high | 96.1 | Very high | 43 Ų | 43 | 36.6 Ų | 36.6 | 26% | 0.261 | 20% | 0.204 | S | C | . | . | trans | -138.1 | 0 | -175.3 | -48.9 | 0 | 0 | 0 | 0 | 110.5 | Q58 L68 L69 V236 | Q58-V238 HydrophobicContact CG-CG2 3.79Å; L68-V238 HydrophobicContact CD1-CB 4.14Å; L68-V238 HydrophobicContact CD2-CB 3.81Å; L68-V238 HydrophobicContact CD2-CG1 3.36Å; L69-V238 HydrophobicContact CD2-CG1 4.29Å; V236-V238 HydrophobicContact CG2-CG1 3.83Å |
Retrieved 238 of 238 residues in 66 ms
(Link to these results)