| 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 | 94.5 | Very high | 97.8 | Very high | 62 Ų | 62 | 32.4 Ų | 32.4 | 31% | 0.305 | 16% | 0.164 | S | C | . | . | 0 | 147.1 | 0 | 177.2 | 178.1 | 44.8 | 0 | 0 | 111.3 | R3 M21 V71 D72 D75 G121 E122 | M1-R3 PolarHBondContact O-N 3.4Å; M1-M21 HydrophobicContact CE-SD 4.16Å; M1-V71 WeakPolarHBondContact O-CA 3.49Å; M1-D72 PolarHBondContact N-OD2 2.91Å; M1-D72 PolarHBondContact O-N 2.77Å; M1-D75 PolarHBondContact N-OD1 3.43Å; M1-D75 VanDerWaalsContact N-OD1 3.09Å; M1-D75 PolarHBondContact N-OD2 2.95Å; M1-G121 WeakPolarHBondContact CG-O 3.41Å; M1-E122 WeakPolarHBondContact CA-OE1 3.32Å; M1-E122 WeakPolarHBondContact CB-OE1 3.47Å | |||
| 2 | I | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 125.3 | 172 | -54.6 | 168.6 | 0 | 0 | 0 | 110.3 | I5 Y20 I69 C70 V71 Y80 F118 G121 | I2-I5 HydrophobicContact CG2-CG1 4.01Å; I2-Y20 HydrophobicContact CB-CD2 4.19Å; I2-Y20 HydrophobicContact CG2-CD2 3.72Å; I2-Y20 HydrophobicContact CG2-CE2 3.98Å; I2-Y20 WeakPolarHBondContact O-CB 3.4Å; I2-I69 HydrophobicContact CB-CG2 4.28Å; I2-I69 HydrophobicContact CD1-CG2 4.27Å; I2-I69 HydrophobicContact CG1-CG2 3.86Å; I2-I69 HydrophobicContact CG2-CG2 3.6Å; I2-C70 CarbonylContact C-O 3.58Å; I2-C70 WeakPolarHBondContact CA-O 3.25Å; I2-V71 HydrophobicContact CG1-CG1 4.32Å; I2-Y80 HydrophobicContact CD1-CD1 4.22Å; I2-Y80 HydrophobicContact CD1-CE1 3.72Å; I2-Y80 HydrophobicContact CG1-CD1 3.97Å; I2-Y80 HydrophobicContact CG1-CE1 3.29Å; I2-F118 HydrophobicContact CD1-CD1 3.65Å; I2-F118 HydrophobicContact CD1-CE1 4.24Å; I2-F118 HydrophobicContact CD1-CG 4.49Å; I2-G121 WeakPolarHBondContact CA-O 3.2Å; I2-G121 VanDerWaalsContact CB-O 3.25Å; I2-G121 WeakPolarHBondContact CB-O 3.29Å; I2-G121 VanDerWaalsContact CG1-O 3.31Å; I2-G121 WeakPolarHBondContact CG1-O 3.32Å; I2-G121 PolarHBondContact N-O 3.39Å |
| 3 | R | 98.3 | Very high | 97.7 | Very high | 42 Ų | 42 | 39.5 Ų | 39.5 | 16% | 0.158 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | -46.1 | 173.2 | -56 | -60.2 | -178.7 | 174 | 1.7 | 111.4 | M1 Y20 M21 F55 C70 D72 | M1-R3 PolarHBondContact O-N 3.4Å; R3-Y20 PolarHBondContact O-N 3.04Å; R3-M21 HydrophobicContact CB-CG 4.48Å; R3-M21 PolarHBondContact NH1-SD 2.81Å; R3-M21 PolarHBondContact O-N 3.25Å; R3-F55 HydrophobicContact CG-CD1 4.03Å; R3-F55 HydrophobicContact CG-CE1 4Å; R3-F55 HydrophobicContact CG-CG 4.49Å; R3-F55 HydrophobicContact CG-CZ 4.4Å; R3-F55 VanDerWaalsContact NE-CE1 3.35Å; R3-C70 HydrophobicContact CB-CB 4.24Å; R3-C70 PolarHBondContact N-O 2.76Å; R3-D72 IonicContact CZ-OD1 2.97Å; R3-D72 IonicContact CZ-OD2 3.26Å; R3-D72 IonicContact NE-OD1 3.49Å; R3-D72 PolarHBondContact NE-OD1 3.21Å; R3-D72 IonicContact NE-OD2 2.81Å; R3-D72 IonicContact NH2-OD1 3.42Å; R3-D72 PolarHBondContact NH2-OD1 3.3Å; R3-D72 IonicContact NH2-OD2 2.63Å; R3-D72 PolarHBondContact NH2-OD2 2.76Å |
| 4 | F | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 161.7 | 177.4 | 56.6 | -102.2 | 0 | 0 | 0 | 112 | L6 K18 W19 F23 L31 V35 I57 C70 | F4-L6 HydrophobicContact CD2-CD1 4.03Å; F4-L6 HydrophobicContact CD2-CG 3.8Å; F4-L6 HydrophobicContact CE2-CD1 3.72Å; F4-L6 HydrophobicContact CE2-CG 4.01Å; F4-K18 CarbonylContact C-O 3.59Å; F4-K18 WeakPolarHBondContact CA-O 3.4Å; F4-K18 VanDerWaalsContact CB-O 3.24Å; F4-K18 WeakPolarHBondContact CB-O 3.45Å; F4-W19 HydrophobicContact CB-CD2 4.1Å; F4-W19 HydrophobicContact CB-CE3 3.46Å; F4-W19 VanDerWaalsContact CB-CE3 3.46Å; F4-W19 HydrophobicContact CB-CZ3 3.8Å; F4-W19 AromaticContact CD1-CE3 3.83Å; F4-W19 HydrophobicContact CD1-CE3 3.83Å; F4-W19 HydrophobicContact CD1-CH2 4.47Å; F4-W19 AromaticContact CD1-CZ3 3.46Å; F4-W19 HydrophobicContact CD1-CZ3 3.46Å; F4-W19 VanDerWaalsContact CD1-CZ3 3.46Å; F4-W19 HydrophobicContact CD2-CZ3 4.3Å; F4-W19 HydrophobicContact CE1-CZ3 4.02Å; F4-W19 AromaticContact CG-CE3 3.81Å; F4-W19 HydrophobicContact CG-CE3 3.81Å; F4-W19 HydrophobicContact CG-CH2 4.41Å; F4-W19 AromaticContact CG-CZ3 3.6Å; F4-W19 HydrophobicContact CG-CZ3 3.6Å; F4-F23 HydrophobicContact CD1-CE2 4.14Å; F4-F23 HydrophobicContact CD1-CZ 4.4Å; F4-L31 HydrophobicContact CE1-CD1 4.12Å; F4-L31 HydrophobicContact CE1-CD2 4.31Å; F4-L31 HydrophobicContact CZ-CD2 4.47Å; F4-V35 HydrophobicContact CE2-CG2 4.08Å; F4-V35 HydrophobicContact CZ-CG2 4.05Å; F4-I57 HydrophobicContact CE2-CD1 4.22Å; F4-I57 HydrophobicContact CZ-CD1 4.17Å; F4-C70 HydrophobicContact CD1-CB 3.81Å; F4-C70 HydrophobicContact CD2-CB 3.66Å; F4-C70 HydrophobicContact CE1-CB 3.51Å; F4-C70 VanDerWaalsContact CE1-SG 3.59Å; F4-C70 HydrophobicContact CE2-CB 3.36Å; F4-C70 HydrophobicContact CG-CB 3.9Å; F4-C70 HydrophobicContact CZ-CB 3.29Å; F4-C70 PolarHBondContact O-N 3.11Å |
| 5 | I | 98.9 | Very high | 97.8 | Very high | 7 Ų | 7 | 42.3 Ų | 42.3 | 4% | 0.036 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 129.7 | 172.2 | -54.8 | 176.2 | 0 | 0 | 0 | 107.9 | I2 L16 A17 K18 Y20 C68 I69 V114 F118 | I2-I5 HydrophobicContact CG2-CG1 4.01Å; I5-L16 HydrophobicContact CB-CD2 4.35Å; I5-L16 HydrophobicContact CG2-CD2 4.04Å; I5-A17 WeakPolarHBondContact O-CA 3.23Å; I5-K18 HydrophobicContact CB-CB 4.32Å; I5-K18 PolarHBondContact N-O 3.13Å; I5-K18 PolarHBondContact O-N 2.97Å; I5-Y20 HydrophobicContact CD1-CE2 3.96Å; I5-Y20 HydrophobicContact CG1-CE2 4.12Å; I5-C68 WeakPolarHBondContact CA-O 3.47Å; I5-I69 HydrophobicContact CG1-CG1 4.2Å; I5-I69 HydrophobicContact CG1-CG2 4.48Å; I5-I69 HydrophobicContact CG2-CG1 4.36Å; I5-V114 HydrophobicContact CD1-CG1 4.24Å; I5-F118 HydrophobicContact CD1-CB 4.22Å; I5-F118 HydrophobicContact CD1-CD1 4.31Å; I5-F118 HydrophobicContact CD1-CD2 3.86Å; I5-F118 HydrophobicContact CD1-CE2 4.27Å; I5-F118 HydrophobicContact CD1-CG 3.88Å |
| 6 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 137.4 | 175.3 | -66 | 177.8 | 0 | 0 | 0 | 110.4 | F4 L16 A17 W19 I32 V35 C68 | F4-L6 HydrophobicContact CD2-CD1 4.03Å; F4-L6 HydrophobicContact CD2-CG 3.8Å; F4-L6 HydrophobicContact CE2-CD1 3.72Å; F4-L6 HydrophobicContact CE2-CG 4.01Å; L6-L16 WeakPolarHBondContact CA-O 3.39Å; L6-A17 HydrophobicContact CD2-CB 3.55Å; L6-W19 HydrophobicContact CD2-CZ2 4.25Å; L6-I32 HydrophobicContact CD1-CG1 4.12Å; L6-I32 HydrophobicContact CD2-CG1 3.91Å; L6-V35 HydrophobicContact CD1-CB 4.12Å; L6-V35 HydrophobicContact CD1-CG1 4.17Å; L6-V35 HydrophobicContact CD1-CG2 4.26Å; L6-C68 HydrophobicContact CB-CB 4.37Å; L6-C68 PolarHBondContact N-O 2.95Å; L6-C68 PolarHBondContact O-N 3.18Å |
| 7 | I | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 121 | 166 | -52.4 | 171.2 | 0 | 0 | 0 | 107.2 | R15 L16 L65 Y66 F67 F87 L103 | I7-R15 HydrophobicContact CB-CB 4.28Å; I7-R15 HydrophobicContact CG2-CB 4.12Å; I7-R15 PolarHBondContact O-N 3.37Å; I7-L16 HydrophobicContact CB-CB 4.04Å; I7-L16 HydrophobicContact CD1-CB 3.69Å; I7-L16 HydrophobicContact CD1-CD1 4.28Å; I7-L16 HydrophobicContact CD1-CD2 4.36Å; I7-L16 HydrophobicContact CD1-CG 4.33Å; I7-L16 HydrophobicContact CG1-CB 3.93Å; I7-L16 HydrophobicContact CG1-CD2 4.41Å; I7-L16 PolarHBondContact N-O 3.45Å; I7-L16 PolarHBondContact O-N 3.42Å; I7-L65 HydrophobicContact CG2-CB 4.45Å; I7-L65 HydrophobicContact CG2-CD2 4.46Å; I7-Y66 WeakPolarHBondContact CA-O 3.33Å; I7-F67 HydrophobicContact CD1-CD1 3.73Å; I7-F67 HydrophobicContact CD1-CE1 3.55Å; I7-F67 HydrophobicContact CD1-CZ 4.42Å; I7-F67 HydrophobicContact CG1-CD1 3.74Å; I7-F67 HydrophobicContact CG1-CE1 4.02Å; I7-F67 HydrophobicContact CG1-CG 4.34Å; I7-F67 HydrophobicContact CG2-CD1 4.27Å; I7-F67 HydrophobicContact CG2-CD2 4.4Å; I7-F67 HydrophobicContact CG2-CE1 4.14Å; I7-F67 HydrophobicContact CG2-CE2 4.26Å; I7-F67 HydrophobicContact CG2-CG 4.4Å; I7-F67 HydrophobicContact CG2-CZ 4.12Å; I7-F87 HydrophobicContact CD1-CE1 3.9Å; I7-F87 HydrophobicContact CD1-CZ 4.46Å; I7-L103 HydrophobicContact CD1-CD2 4.06Å; I7-L103 HydrophobicContact CG2-CD2 3.91Å |
| 8 | Q | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 147.2 | -178.4 | -64.6 | 173.5 | -68.7 | 0 | 0 | 110.6 | K13 I32 L65 Y66 | Q8-K13 WeakPolarHBondContact CA-O 3.28Å; Q8-I32 VanDerWaalsContact NE2-CG2 3.25Å; Q8-I32 PolarHBondContact NE2-O 3.31Å; Q8-L65 CarbonylContact O-C 3.58Å; Q8-L65 WeakPolarHBondContact O-CA 3.31Å; Q8-Y66 PolarHBondContact N-O 2.86Å; Q8-Y66 PolarHBondContact O-N 2.83Å |
| 9 | N | 98 | Very high | 98 | Very high | 18 Ų | 18 | 39.7 Ų | 39.7 | 10% | 0.096 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 174.9 | 171.4 | 77.4 | 5.3 | 0 | 0 | 0 | 112.3 | A11 G12 K13 R15 H36 G64 L65 E100 | N9-A11 PolarHBondContact O-N 3.44Å; N9-A11 VanDerWaalsContact O-N 3.14Å; N9-A11 WeakPolarHBondContact OD1-CA 3.49Å; N9-A11 PolarHBondContact OD1-N 2.98Å; N9-G12 PolarHBondContact O-N 3.4Å; N9-G12 PolarHBondContact OD1-N 2.87Å; N9-K13 PolarHBondContact N-O 3.07Å; N9-K13 WeakPolarHBondContact OD1-CB 3.45Å; N9-K13 PolarHBondContact OD1-N 3.25Å; N9-R15 PolarHBondContact ND2-NH2 3.28Å; N9-H36 PolarHBondContact O-NE2 2.91Å; N9-H36 VanDerWaalsContact O-NE2 3.08Å; N9-G64 CarbonylContact C-O 3.47Å; N9-G64 WeakPolarHBondContact CA-O 3.4Å; N9-L65 HydrophobicContact CB-CD2 3.75Å; N9-E100 VanDerWaalsContact CB-OE1 3.25Å; N9-E100 WeakPolarHBondContact CB-OE1 3.47Å; N9-E100 PolarHBondContact ND2-OE1 3.32Å |
| 10 | R | 96.1 | Very high | 98 | Very high | 147 Ų | 147 | 40 Ų | 40 | 56% | 0.555 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -31.9 | 177.9 | -67.4 | -173.9 | -169 | 175.6 | 12.1 | 113.9 | G12 H36 A63 G64 Y66 | R10-G12 VanDerWaalsContact C-N 3.28Å; R10-G12 PolarHBondContact O-N 3.27Å; R10-H36 PolarHBondContact O-CE1 3.44Å; R10-H36 PolarHBondContact O-NE2 3.41Å; R10-A63 PolarHBondContact NH2-O 2.7Å; R10-G64 WeakPolarHBondContact CG-O 3.41Å; R10-G64 PolarHBondContact N-O 2.75Å; R10-Y66 HydrophobicContact CG-CE2 4.08Å |
| 11 | A | 96.6 | Very high | 97.9 | Very high | 78 Ų | 78 | 41.6 Ų | 41.6 | 65% | 0.645 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | 5.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | N9 K13 | N9-A11 PolarHBondContact O-N 3.44Å; N9-A11 VanDerWaalsContact O-N 3.14Å; N9-A11 WeakPolarHBondContact OD1-CA 3.49Å; N9-A11 PolarHBondContact OD1-N 2.98Å; A11-K13 VanDerWaalsContact C-N 3.31Å; A11-K13 PolarHBondContact O-N 3.36Å |
| 12 | G | 96.3 | Very high | 97.9 | Very high | 24 Ų | 24 | 47.9 Ų | 47.9 | 25% | 0.247 | 24% | 0.235 | C | C | . | . | S | Bend | trans | 81.5 | 8.3 | 180 | 0 | 0 | 0 | 0 | 0 | 114.1 | N9 R10 T14 H36 | N9-G12 PolarHBondContact O-N 3.4Å; N9-G12 PolarHBondContact OD1-N 2.87Å; R10-G12 VanDerWaalsContact C-N 3.28Å; R10-G12 PolarHBondContact O-N 3.27Å; G12-T14 PolarHBondContact O-N 3.37Å; G12-H36 VanDerWaalsContact CA-CE1 3.49Å; G12-H36 WeakPolarHBondContact CA-CE1 3.45Å; G12-H36 VanDerWaalsContact CA-NE2 3.26Å; G12-H36 WeakPolarHBondContact CA-NE2 3.18Å; G12-H36 PolarHBondContact N-CE1 3.04Å; G12-H36 PolarHBondContact N-NE2 3.06Å; G12-H36 VanDerWaalsContact N-NE2 3.13Å |
| 13 | K | 98.2 | Very high | 97.7 | Very high | 133 Ų | 133 | 49.9 Ų | 49.9 | 58% | 0.578 | 24% | 0.243 | S | C | * | . | trans | -78.3 | 122.8 | 175.9 | -57 | -58.1 | -175.8 | -176 | 0 | 109.9 | Q8 N9 A11 | Q8-K13 WeakPolarHBondContact CA-O 3.28Å; N9-K13 PolarHBondContact N-O 3.07Å; N9-K13 WeakPolarHBondContact OD1-CB 3.45Å; N9-K13 PolarHBondContact OD1-N 3.25Å; A11-K13 VanDerWaalsContact C-N 3.31Å; A11-K13 PolarHBondContact O-N 3.36Å | ||
| 14 | T | 98.4 | Very high | 97.7 | Very high | 53 Ų | 53 | 52.9 Ų | 52.9 | 33% | 0.325 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 130.3 | 176.1 | -54.6 | 0 | 0 | 0 | 0 | 110.7 | G12 L16 A17 I32 | G12-T14 PolarHBondContact O-N 3.37Å; T14-L16 WeakPolarHBondContact CG2-O 3.37Å; T14-A17 HydrophobicContact CG2-CB 3.94Å; T14-I32 WeakPolarHBondContact OG1-CG2 3.26Å |
| 15 | R | 98.3 | Very high | 97.6 | Very high | 69 Ų | 69 | 58.3 Ų | 58.3 | 26% | 0.26 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | -28 | 174.9 | -56.2 | -50.9 | -176.9 | -171.4 | 8 | 112.1 | I7 N9 L65 E100 L103 V104 | I7-R15 HydrophobicContact CB-CB 4.28Å; I7-R15 HydrophobicContact CG2-CB 4.12Å; I7-R15 PolarHBondContact O-N 3.37Å; N9-R15 PolarHBondContact ND2-NH2 3.28Å; R15-L65 HydrophobicContact CG-CD2 3.99Å; R15-E100 IonicContact CZ-OE1 3.36Å; R15-E100 IonicContact NE-OE1 2.79Å; R15-E100 PolarHBondContact NE-OE1 2.86Å; R15-E100 IonicContact NH2-OE1 3.92Å; R15-E100 PolarHBondContact NH2-OE1 3.46Å; R15-L103 HydrophobicContact CB-CB 4.14Å; R15-L103 HydrophobicContact CB-CD2 4.15Å; R15-V104 VanDerWaalsContact NH1-CG2 3.25Å |
| 16 | L | 98.7 | Very high | 97.6 | Very high | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 139.2 | 173.2 | -176.9 | 141.6 | 0 | 0 | 0 | 109.3 | I5 L6 I7 T14 K18 V110 Y111 V114 | I5-L16 HydrophobicContact CB-CD2 4.35Å; I5-L16 HydrophobicContact CG2-CD2 4.04Å; L6-L16 WeakPolarHBondContact CA-O 3.39Å; I7-L16 HydrophobicContact CB-CB 4.04Å; I7-L16 HydrophobicContact CD1-CB 3.69Å; I7-L16 HydrophobicContact CD1-CD1 4.28Å; I7-L16 HydrophobicContact CD1-CD2 4.36Å; I7-L16 HydrophobicContact CD1-CG 4.33Å; I7-L16 HydrophobicContact CG1-CB 3.93Å; I7-L16 HydrophobicContact CG1-CD2 4.41Å; I7-L16 PolarHBondContact N-O 3.45Å; I7-L16 PolarHBondContact O-N 3.42Å; T14-L16 WeakPolarHBondContact CG2-O 3.37Å; L16-K18 HydrophobicContact CD2-CB 4.16Å; L16-V110 HydrophobicContact CD1-CG1 3.65Å; L16-Y111 HydrophobicContact CD1-CD2 4.06Å; L16-Y111 HydrophobicContact CD1-CE2 3.96Å; L16-Y111 HydrophobicContact CD1-CG 4.44Å; L16-Y111 HydrophobicContact CG-CD2 4.5Å; L16-Y111 HydrophobicContact CG-CE1 4.44Å; L16-Y111 HydrophobicContact CG-CE2 3.91Å; L16-V114 HydrophobicContact CD1-CG2 3.71Å |
| 17 | A | 98.6 | Very high | 97.6 | Very high | 20 Ų | 20 | 66 Ų | 66 | 17% | 0.165 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 107.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | I5 L6 T14 Y111 | I5-A17 WeakPolarHBondContact O-CA 3.23Å; L6-A17 HydrophobicContact CD2-CB 3.55Å; T14-A17 HydrophobicContact CG2-CB 3.94Å; A17-Y111 VanDerWaalsContact C-OH 3.29Å; A17-Y111 PolarHBondContact N-OH 2.93Å; A17-Y111 PolarHBondContact O-OH 3.12Å |
| 18 | K | 98.6 | Very high | 97.6 | Very high | 43 Ų | 43 | 68.3 Ų | 68.3 | 19% | 0.187 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 125 | 176.2 | -175.1 | 77.3 | 179.9 | -161.2 | 0 | 108.8 | F4 I5 L16 Y20 Y111 V114 D115 | F4-K18 CarbonylContact C-O 3.59Å; F4-K18 WeakPolarHBondContact CA-O 3.4Å; F4-K18 VanDerWaalsContact CB-O 3.24Å; F4-K18 WeakPolarHBondContact CB-O 3.45Å; I5-K18 HydrophobicContact CB-CB 4.32Å; I5-K18 PolarHBondContact N-O 3.13Å; I5-K18 PolarHBondContact O-N 2.97Å; L16-K18 HydrophobicContact CD2-CB 4.16Å; K18-Y20 HydrophobicContact CG-CD2 4.49Å; K18-Y20 HydrophobicContact CG-CE1 4.36Å; K18-Y20 HydrophobicContact CG-CE2 3.84Å; K18-Y111 HydrophobicContact CB-CE1 4.43Å; K18-Y111 HydrophobicContact CD-CD1 4.19Å; K18-Y111 HydrophobicContact CD-CE1 4.04Å; K18-V114 HydrophobicContact CB-CG1 4.44Å; K18-V114 HydrophobicContact CD-CG1 4.49Å; K18-V114 HydrophobicContact CG-CG1 4.17Å; K18-D115 VanDerWaalsContact CE-OD1 3.31Å; K18-D115 WeakPolarHBondContact CE-OD1 3.16Å; K18-D115 IonicContact NZ-OD1 2.89Å; K18-D115 PolarHBondContact NZ-OD1 3.14Å; K18-D115 IonicContact NZ-OD2 2.66Å; K18-D115 PolarHBondContact NZ-OD2 2.97Å |
| 19 | W | 98.4 | Very high | 97.5 | Very high | 54 Ų | 54 | 72.9 Ų | 72.9 | 21% | 0.205 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 124.4 | -178.5 | -54.9 | 93.5 | 0 | 0 | 0 | 109.3 | F4 L6 F23 K28 L31 I32 | F4-W19 HydrophobicContact CB-CD2 4.1Å; F4-W19 HydrophobicContact CB-CE3 3.46Å; F4-W19 VanDerWaalsContact CB-CE3 3.46Å; F4-W19 HydrophobicContact CB-CZ3 3.8Å; F4-W19 AromaticContact CD1-CE3 3.83Å; F4-W19 HydrophobicContact CD1-CE3 3.83Å; F4-W19 HydrophobicContact CD1-CH2 4.47Å; F4-W19 AromaticContact CD1-CZ3 3.46Å; F4-W19 HydrophobicContact CD1-CZ3 3.46Å; F4-W19 VanDerWaalsContact CD1-CZ3 3.46Å; F4-W19 HydrophobicContact CD2-CZ3 4.3Å; F4-W19 HydrophobicContact CE1-CZ3 4.02Å; F4-W19 AromaticContact CG-CE3 3.81Å; F4-W19 HydrophobicContact CG-CE3 3.81Å; F4-W19 HydrophobicContact CG-CH2 4.41Å; F4-W19 AromaticContact CG-CZ3 3.6Å; F4-W19 HydrophobicContact CG-CZ3 3.6Å; L6-W19 HydrophobicContact CD2-CZ2 4.25Å; W19-F23 HydrophobicContact CD2-CD2 4.33Å; W19-F23 AromaticContact CE3-CD2 3.41Å; W19-F23 HydrophobicContact CE3-CD2 3.41Å; W19-F23 VanDerWaalsContact CE3-CD2 3.41Å; W19-F23 AromaticContact CE3-CE2 3.72Å; W19-F23 HydrophobicContact CE3-CE2 3.72Å; W19-F23 HydrophobicContact CE3-CG 4.35Å; W19-F23 AromaticContact CZ3-CD2 3.85Å; W19-F23 HydrophobicContact CZ3-CD2 3.85Å; W19-F23 HydrophobicContact CZ3-CE2 4.07Å; W19-F23 HydrophobicContact CZ3-CG 4.48Å; W19-K28 HydrophobicContact CD2-CD 4.21Å; W19-K28 HydrophobicContact CD2-CG 3.96Å; W19-K28 HydrophobicContact CE3-CG 4.25Å; W19-K28 HydrophobicContact CG-CD 4.4Å; W19-K28 HydrophobicContact CH2-CB 3.93Å; W19-K28 HydrophobicContact CH2-CG 3.95Å; W19-K28 HydrophobicContact CZ2-CB 3.58Å; W19-K28 HydrophobicContact CZ2-CD 4.2Å; W19-K28 HydrophobicContact CZ2-CG 3.62Å; W19-K28 HydrophobicContact CZ3-CG 4.24Å; W19-L31 HydrophobicContact CH2-CB 3.95Å; W19-L31 HydrophobicContact CH2-CD1 4.11Å; W19-L31 HydrophobicContact CZ3-CB 4.31Å; W19-L31 HydrophobicContact CZ3-CD1 3.71Å; W19-I32 HydrophobicContact CH2-CG1 4.37Å; W19-I32 HydrophobicContact CZ2-CD1 4.09Å; W19-I32 HydrophobicContact CZ2-CG1 4.07Å |
| 20 | Y | 98.2 | Very high | 97.6 | Very high | 46 Ų | 46 | 77.2 Ų | 77.2 | 18% | 0.18 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -102.5 | -13.5 | 174.9 | -66.1 | -75.8 | 0 | 0 | 0 | 112.4 | I2 R3 I5 K18 F118 | I2-Y20 HydrophobicContact CB-CD2 4.19Å; I2-Y20 HydrophobicContact CG2-CD2 3.72Å; I2-Y20 HydrophobicContact CG2-CE2 3.98Å; I2-Y20 WeakPolarHBondContact O-CB 3.4Å; R3-Y20 PolarHBondContact O-N 3.04Å; I5-Y20 HydrophobicContact CD1-CE2 3.96Å; I5-Y20 HydrophobicContact CG1-CE2 4.12Å; K18-Y20 HydrophobicContact CG-CD2 4.49Å; K18-Y20 HydrophobicContact CG-CE1 4.36Å; K18-Y20 HydrophobicContact CG-CE2 3.84Å; Y20-F118 WeakPolarHBondContact OH-CB 3.29Å; Y20-F118 PolarHBondContact OH-O 2.97Å |
| 21 | M | 95.8 | Very high | 97.7 | Very high | 74 Ų | 74 | 70.4 Ų | 70.4 | 37% | 0.365 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -111 | 153.3 | 168.3 | -64.8 | -61.9 | -64.8 | 0 | 0 | 110.3 | M1 R3 F23 | M1-M21 HydrophobicContact CE-SD 4.16Å; R3-M21 HydrophobicContact CB-CG 4.48Å; R3-M21 PolarHBondContact NH1-SD 2.81Å; R3-M21 PolarHBondContact O-N 3.25Å; M21-F23 HydrophobicContact CB-CD2 4.34Å; M21-F23 HydrophobicContact CB-CE2 3.65Å; M21-F23 HydrophobicContact CB-CZ 4.01Å; M21-F23 VanDerWaalsContact O-CD2 3.29Å; M21-F23 WeakPolarHBondContact O-CD2 3.48Å; M21-F23 PolarHBondContact O-N 3.02Å |
| 22 | Q | 94.9 | Very high | 97.8 | Very high | 194 Ų | 194 | 67.7 Ų | 67.7 | 91% | 0.907 | 33% | 0.33 | S | S | * | . | trans | -74.2 | 124.2 | 174.7 | -172.3 | 173.9 | -3.8 | 0 | 0 | 110.1 | ||||
| 23 | F | 95.4 | Very high | 97.9 | Very high | 42 Ų | 42 | 72 Ų | 72 | 18% | 0.184 | 34% | 0.343 | C | S | . | . | trans | -131.2 | 144.6 | 168.6 | -60.6 | -80.8 | 0 | 0 | 0 | 107.2 | F4 W19 M21 E27 K28 L31 | F4-F23 HydrophobicContact CD1-CE2 4.14Å; F4-F23 HydrophobicContact CD1-CZ 4.4Å; W19-F23 HydrophobicContact CD2-CD2 4.33Å; W19-F23 AromaticContact CE3-CD2 3.41Å; W19-F23 HydrophobicContact CE3-CD2 3.41Å; W19-F23 VanDerWaalsContact CE3-CD2 3.41Å; W19-F23 AromaticContact CE3-CE2 3.72Å; W19-F23 HydrophobicContact CE3-CE2 3.72Å; W19-F23 HydrophobicContact CE3-CG 4.35Å; W19-F23 AromaticContact CZ3-CD2 3.85Å; W19-F23 HydrophobicContact CZ3-CD2 3.85Å; W19-F23 HydrophobicContact CZ3-CE2 4.07Å; W19-F23 HydrophobicContact CZ3-CG 4.48Å; M21-F23 HydrophobicContact CB-CD2 4.34Å; M21-F23 HydrophobicContact CB-CE2 3.65Å; M21-F23 HydrophobicContact CB-CZ 4.01Å; M21-F23 VanDerWaalsContact O-CD2 3.29Å; M21-F23 WeakPolarHBondContact O-CD2 3.48Å; M21-F23 PolarHBondContact O-N 3.02Å; F23-E27 HydrophobicContact CB-CB 4.47Å; F23-E27 HydrophobicContact CB-CG 4.4Å; F23-E27 HydrophobicContact CD1-CG 3.87Å; F23-K28 HydrophobicContact CB-CG 3.76Å; F23-K28 WeakPolarHBondContact O-CE 3.34Å; F23-K28 PolarHBondContact O-NZ 3.34Å; F23-L31 HydrophobicContact CD1-CD1 3.81Å; F23-L31 HydrophobicContact CD2-CD1 4.45Å; F23-L31 HydrophobicContact CE1-CD1 3.84Å; F23-L31 HydrophobicContact CE2-CD1 4.46Å; F23-L31 HydrophobicContact CG-CD1 4.12Å; F23-L31 HydrophobicContact CZ-CD1 4.18Å | ||
| 24 | D | 97.4 | Very high | 97.9 | Very high | 104 Ų | 104 | 69 Ų | 69 | 56% | 0.556 | 33% | 0.331 | S | S | * | . | trans | -69.6 | 164.6 | 165.7 | 61.5 | 56.9 | 0 | 0 | 0 | 110.5 | D26 E27 K28 | D24-D26 VanDerWaalsContact C-N 3.32Å; D24-D26 PolarHBondContact O-N 3.15Å; D24-D26 PolarHBondContact OD1-N 2.87Å; D24-E27 PolarHBondContact O-N 2.83Å; D24-E27 WeakPolarHBondContact OD1-CB 3.46Å; D24-E27 PolarHBondContact OD1-N 2.87Å; D24-K28 WeakPolarHBondContact O-CG 3.41Å; D24-K28 PolarHBondContact O-N 2.8Å | ||
| 25 | D | 97.4 | Very high | 97.9 | Very high | 116 Ų | 116 | 66.4 Ų | 66.4 | 62% | 0.62 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -70.3 | -30.2 | -172 | -65.7 | -26.2 | 0 | 0 | 0 | 112.8 | K28 Q29 | D25-K28 PolarHBondContact O-N 3.26Å; D25-K28 IonicContact OD1-NZ 3.38Å; D25-K28 PolarHBondContact OD1-NZ 3.46Å; D25-Q29 PolarHBondContact O-N 2.92Å |
| 26 | D | 98.3 | Very high | 98 | Very high | 126 Ų | 126 | 64.7 Ų | 64.7 | 67% | 0.674 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -65.6 | -42.9 | 174.9 | -71.3 | -20.9 | 0 | 0 | 0 | 110.7 | D24 Q29 K30 | D24-D26 VanDerWaalsContact C-N 3.32Å; D24-D26 PolarHBondContact O-N 3.15Å; D24-D26 PolarHBondContact OD1-N 2.87Å; D26-Q29 PolarHBondContact O-N 2.8Å; D26-K30 WeakPolarHBondContact O-CG 3.39Å; D26-K30 PolarHBondContact O-N 2.94Å; D26-K30 VanDerWaalsContact O-N 3.07Å |
| 27 | E | 97.9 | Very high | 97.9 | Very high | 41 Ų | 41 | 67.1 Ų | 67.1 | 19% | 0.192 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -69 | -40.2 | 177.1 | -176.6 | 59.1 | -167.6 | 0 | 0 | 111.7 | F23 D24 Q29 K30 L31 R53 | F23-E27 HydrophobicContact CB-CB 4.47Å; F23-E27 HydrophobicContact CB-CG 4.4Å; F23-E27 HydrophobicContact CD1-CG 3.87Å; D24-E27 PolarHBondContact O-N 2.83Å; D24-E27 WeakPolarHBondContact OD1-CB 3.46Å; D24-E27 PolarHBondContact OD1-N 2.87Å; E27-Q29 VanDerWaalsContact C-N 3.3Å; E27-Q29 PolarHBondContact O-N 3.1Å; E27-K30 PolarHBondContact O-N 3.45Å; E27-L31 HydrophobicContact CG-CD1 4.07Å; E27-L31 HydrophobicContact CG-CG 4.45Å; E27-L31 WeakPolarHBondContact O-CB 3.37Å; E27-L31 VanDerWaalsContact O-CG 3.23Å; E27-L31 WeakPolarHBondContact O-CG 3.48Å; E27-L31 PolarHBondContact O-N 3.35Å; E27-R53 IonicContact OE1-CZ 3.17Å; E27-R53 IonicContact OE1-NH1 2.91Å; E27-R53 PolarHBondContact OE1-NH1 2.81Å; E27-R53 IonicContact OE1-NH2 3.89Å |
| 28 | K | 98.5 | Very high | 97.9 | Very high | 50 Ų | 50 | 68.4 Ų | 68.4 | 22% | 0.217 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -57.3 | -45 | 172.3 | -71.8 | 175.8 | -166.6 | 146.5 | 0 | 111.4 | W19 F23 D24 D25 L31 I32 | W19-K28 HydrophobicContact CD2-CD 4.21Å; W19-K28 HydrophobicContact CD2-CG 3.96Å; W19-K28 HydrophobicContact CE3-CG 4.25Å; W19-K28 HydrophobicContact CG-CD 4.4Å; W19-K28 HydrophobicContact CH2-CB 3.93Å; W19-K28 HydrophobicContact CH2-CG 3.95Å; W19-K28 HydrophobicContact CZ2-CB 3.58Å; W19-K28 HydrophobicContact CZ2-CD 4.2Å; W19-K28 HydrophobicContact CZ2-CG 3.62Å; W19-K28 HydrophobicContact CZ3-CG 4.24Å; F23-K28 HydrophobicContact CB-CG 3.76Å; F23-K28 WeakPolarHBondContact O-CE 3.34Å; F23-K28 PolarHBondContact O-NZ 3.34Å; D24-K28 WeakPolarHBondContact O-CG 3.41Å; D24-K28 PolarHBondContact O-N 2.8Å; D25-K28 PolarHBondContact O-N 3.26Å; D25-K28 IonicContact OD1-NZ 3.38Å; D25-K28 PolarHBondContact OD1-NZ 3.46Å; K28-L31 PolarHBondContact O-N 2.9Å; K28-I32 VanDerWaalsContact O-CG1 3.26Å; K28-I32 WeakPolarHBondContact O-CG1 3.27Å; K28-I32 PolarHBondContact O-N 3.4Å |
| 29 | Q | 98.4 | Very high | 97.9 | Very high | 97 Ų | 97 | 66.3 Ų | 66.3 | 45% | 0.453 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64 | -43.8 | -179.7 | -175.1 | 57.6 | 35.4 | 0 | 0 | 111.4 | D25 D26 E27 L31 I32 E33 | D25-Q29 PolarHBondContact O-N 2.92Å; D26-Q29 PolarHBondContact O-N 2.8Å; E27-Q29 VanDerWaalsContact C-N 3.3Å; E27-Q29 PolarHBondContact O-N 3.1Å; Q29-L31 PolarHBondContact O-N 3.31Å; Q29-I32 PolarHBondContact O-N 3.07Å; Q29-E33 PolarHBondContact NE2-OE1 2.62Å; Q29-E33 WeakPolarHBondContact O-CG 3.23Å; Q29-E33 PolarHBondContact O-N 2.96Å; Q29-E33 VanDerWaalsContact O-N 3.1Å |
| 30 | K | 98.5 | Very high | 97.7 | Very high | 109 Ų | 109 | 65.7 Ų | 65.7 | 47% | 0.474 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.7 | -46.1 | 173.9 | -70.7 | 172.7 | -170.4 | 168 | 0 | 112.2 | D26 E27 I32 E33 E34 | D26-K30 WeakPolarHBondContact O-CG 3.39Å; D26-K30 PolarHBondContact O-N 2.94Å; D26-K30 VanDerWaalsContact O-N 3.07Å; E27-K30 PolarHBondContact O-N 3.45Å; K30-I32 VanDerWaalsContact C-N 3.32Å; K30-I32 PolarHBondContact O-N 3.49Å; K30-E33 PolarHBondContact O-N 3.1Å; K30-E34 WeakPolarHBondContact O-CB 3.27Å; K30-E34 VanDerWaalsContact O-CG 3.31Å; K30-E34 WeakPolarHBondContact O-CG 3.38Å; K30-E34 PolarHBondContact O-N 3.49Å |
| 31 | L | 98.7 | Very high | 97.6 | Very high | 4 Ų | 4 | 69.3 Ų | 69.3 | 2% | 0.021 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 178.4 | -71.4 | 169 | 0 | 0 | 0 | 111.7 | F4 W19 F23 E27 K28 Q29 V35 F52 | F4-L31 HydrophobicContact CE1-CD1 4.12Å; F4-L31 HydrophobicContact CE1-CD2 4.31Å; F4-L31 HydrophobicContact CZ-CD2 4.47Å; W19-L31 HydrophobicContact CH2-CB 3.95Å; W19-L31 HydrophobicContact CH2-CD1 4.11Å; W19-L31 HydrophobicContact CZ3-CB 4.31Å; W19-L31 HydrophobicContact CZ3-CD1 3.71Å; F23-L31 HydrophobicContact CD1-CD1 3.81Å; F23-L31 HydrophobicContact CD2-CD1 4.45Å; F23-L31 HydrophobicContact CE1-CD1 3.84Å; F23-L31 HydrophobicContact CE2-CD1 4.46Å; F23-L31 HydrophobicContact CG-CD1 4.12Å; F23-L31 HydrophobicContact CZ-CD1 4.18Å; E27-L31 HydrophobicContact CG-CD1 4.07Å; E27-L31 HydrophobicContact CG-CG 4.45Å; E27-L31 WeakPolarHBondContact O-CB 3.37Å; E27-L31 VanDerWaalsContact O-CG 3.23Å; E27-L31 WeakPolarHBondContact O-CG 3.48Å; E27-L31 PolarHBondContact O-N 3.35Å; K28-L31 PolarHBondContact O-N 2.9Å; Q29-L31 PolarHBondContact O-N 3.31Å; L31-V35 VanDerWaalsContact O-CB 3.3Å; L31-V35 WeakPolarHBondContact O-CB 3.48Å; L31-V35 WeakPolarHBondContact O-CG2 3.45Å; L31-V35 PolarHBondContact O-N 3Å; L31-F52 HydrophobicContact CD2-CE1 3.68Å; L31-F52 HydrophobicContact CD2-CZ 3.92Å |
| 32 | I | 98.8 | Very high | 97.6 | Very high | 20 Ų | 20 | 68.4 Ų | 68.4 | 10% | 0.103 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.7 | -44.6 | 176.3 | -74.4 | 169.9 | 0 | 0 | 0 | 111.3 | L6 Q8 T14 W19 K28 Q29 K30 H36 | L6-I32 HydrophobicContact CD1-CG1 4.12Å; L6-I32 HydrophobicContact CD2-CG1 3.91Å; Q8-I32 VanDerWaalsContact NE2-CG2 3.25Å; Q8-I32 PolarHBondContact NE2-O 3.31Å; T14-I32 WeakPolarHBondContact OG1-CG2 3.26Å; W19-I32 HydrophobicContact CH2-CG1 4.37Å; W19-I32 HydrophobicContact CZ2-CD1 4.09Å; W19-I32 HydrophobicContact CZ2-CG1 4.07Å; K28-I32 VanDerWaalsContact O-CG1 3.26Å; K28-I32 WeakPolarHBondContact O-CG1 3.27Å; K28-I32 PolarHBondContact O-N 3.4Å; Q29-I32 PolarHBondContact O-N 3.07Å; K30-I32 VanDerWaalsContact C-N 3.32Å; K30-I32 PolarHBondContact O-N 3.49Å; I32-H36 WeakPolarHBondContact O-CB 3.35Å; I32-H36 PolarHBondContact O-N 3.14Å |
| 33 | E | 98.6 | Very high | 97.4 | Very high | 114 Ų | 114 | 63.1 Ų | 63.1 | 53% | 0.533 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -70.6 | -46.1 | -179.7 | -71.2 | 173.6 | -169 | 0 | 0 | 112.1 | Q29 K30 H36 A37 | Q29-E33 PolarHBondContact NE2-OE1 2.62Å; Q29-E33 WeakPolarHBondContact O-CG 3.23Å; Q29-E33 PolarHBondContact O-N 2.96Å; Q29-E33 VanDerWaalsContact O-N 3.1Å; K30-E33 PolarHBondContact O-N 3.1Å; E33-H36 PolarHBondContact O-N 3.03Å; E33-A37 WeakPolarHBondContact O-CB 3.49Å; E33-A37 PolarHBondContact O-N 2.91Å |
| 34 | E | 98.6 | Very high | 97.2 | Very high | 70 Ų | 70 | 66.3 Ų | 66.3 | 33% | 0.327 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.8 | -44.2 | -179.7 | -71.6 | 176.6 | -158.4 | 0 | 0 | 112 | K30 H36 A37 V38 F52 R53 | K30-E34 WeakPolarHBondContact O-CB 3.27Å; K30-E34 VanDerWaalsContact O-CG 3.31Å; K30-E34 WeakPolarHBondContact O-CG 3.38Å; K30-E34 PolarHBondContact O-N 3.49Å; E34-H36 VanDerWaalsContact C-N 3.33Å; E34-H36 PolarHBondContact O-N 2.93Å; E34-A37 PolarHBondContact O-N 2.99Å; E34-V38 WeakPolarHBondContact O-CB 3.43Å; E34-V38 VanDerWaalsContact O-CG2 3.23Å; E34-V38 WeakPolarHBondContact O-CG2 3.45Å; E34-V38 PolarHBondContact O-N 3.4Å; E34-F52 HydrophobicContact CB-CE2 3.75Å; E34-F52 HydrophobicContact CB-CZ 3.89Å; E34-F52 WeakPolarHBondContact OE2-CZ 3.39Å; E34-R53 IonicContact OE1-CZ 2.66Å; E34-R53 IonicContact OE1-NE 3.88Å; E34-R53 IonicContact OE1-NH2 2.77Å; E34-R53 PolarHBondContact OE1-NH2 3.35Å; E34-R53 IonicContact OE2-CZ 3.72Å; E34-R53 VanDerWaalsContact OE2-CZ 3.26Å; E34-R53 IonicContact OE2-NE 3.95Å; E34-R53 PolarHBondContact OE2-NE 3.44Å; E34-R53 IonicContact OE2-NH2 2.75Å; E34-R53 PolarHBondContact OE2-NH2 3.01Å |
| 35 | V | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -60.8 | -45.1 | 177.3 | 169.6 | 0 | 0 | 0 | 0 | 110.3 | F4 L6 L31 V38 V39 F52 I57 C68 | F4-V35 HydrophobicContact CE2-CG2 4.08Å; F4-V35 HydrophobicContact CZ-CG2 4.05Å; L6-V35 HydrophobicContact CD1-CB 4.12Å; L6-V35 HydrophobicContact CD1-CG1 4.17Å; L6-V35 HydrophobicContact CD1-CG2 4.26Å; L31-V35 VanDerWaalsContact O-CB 3.3Å; L31-V35 WeakPolarHBondContact O-CB 3.48Å; L31-V35 WeakPolarHBondContact O-CG2 3.45Å; L31-V35 PolarHBondContact O-N 3Å; V35-V38 PolarHBondContact O-N 2.8Å; V35-V39 HydrophobicContact CG1-CG1 4.45Å; V35-V39 WeakPolarHBondContact O-CG1 3.49Å; V35-V39 WeakPolarHBondContact O-CG2 3.33Å; V35-V39 PolarHBondContact O-N 2.89Å; V35-F52 HydrophobicContact CG2-CE1 4.12Å; V35-F52 HydrophobicContact CG2-CE2 4.27Å; V35-F52 HydrophobicContact CG2-CZ 3.94Å; V35-I57 HydrophobicContact CG1-CG2 4.47Å; V35-I57 HydrophobicContact CG2-CD1 3.83Å; V35-I57 HydrophobicContact CG2-CG1 4.23Å; V35-C68 HydrophobicContact CG1-CB 4.11Å |
| 36 | H | 98.7 | Very high | 97 | Very high | 32 Ų | 32 | 69 Ų | 69 | 15% | 0.148 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.1 | -48.8 | 177.9 | -176.1 | -101.9 | 0 | 0 | 0 | 112 | N9 R10 G12 I32 E33 E34 V38 V39 T40 | N9-H36 PolarHBondContact O-NE2 2.91Å; N9-H36 VanDerWaalsContact O-NE2 3.08Å; R10-H36 PolarHBondContact O-CE1 3.44Å; R10-H36 PolarHBondContact O-NE2 3.41Å; G12-H36 VanDerWaalsContact CA-CE1 3.49Å; G12-H36 WeakPolarHBondContact CA-CE1 3.45Å; G12-H36 VanDerWaalsContact CA-NE2 3.26Å; G12-H36 WeakPolarHBondContact CA-NE2 3.18Å; G12-H36 PolarHBondContact N-CE1 3.04Å; G12-H36 PolarHBondContact N-NE2 3.06Å; G12-H36 VanDerWaalsContact N-NE2 3.13Å; I32-H36 WeakPolarHBondContact O-CB 3.35Å; I32-H36 PolarHBondContact O-N 3.14Å; E33-H36 PolarHBondContact O-N 3.03Å; E34-H36 VanDerWaalsContact C-N 3.33Å; E34-H36 PolarHBondContact O-N 2.93Å; H36-V38 VanDerWaalsContact C-N 3.29Å; H36-V38 PolarHBondContact O-N 3.23Å; H36-V39 PolarHBondContact O-N 3.13Å; H36-T40 VanDerWaalsContact NE2-CG2 3.32Å; H36-T40 WeakPolarHBondContact NE2-CG2 3.3Å; H36-T40 WeakPolarHBondContact O-CB 3.26Å; H36-T40 VanDerWaalsContact O-CG2 3.28Å; H36-T40 WeakPolarHBondContact O-CG2 3.32Å; H36-T40 PolarHBondContact O-N 3.08Å; H36-T40 VanDerWaalsContact O-N 3.07Å; H36-T40 PolarHBondContact O-OG1 2.97Å |
| 37 | A | 98.3 | Very high | 96.9 | Very high | 53 Ų | 53 | 67 Ų | 67 | 44% | 0.438 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.6 | -41.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | E33 E34 V41 | E33-A37 WeakPolarHBondContact O-CB 3.49Å; E33-A37 PolarHBondContact O-N 2.91Å; E34-A37 PolarHBondContact O-N 2.99Å; A37-V41 WeakPolarHBondContact O-CG2 3.42Å |
| 38 | V | 97.8 | Very high | 97 | Very high | 47 Ų | 47 | 67.7 Ų | 67.7 | 29% | 0.285 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -69 | -42.3 | -178.9 | 168.1 | 0 | 0 | 0 | 0 | 112.6 | E34 V35 H36 R42 V50 F52 | E34-V38 WeakPolarHBondContact O-CB 3.43Å; E34-V38 VanDerWaalsContact O-CG2 3.23Å; E34-V38 WeakPolarHBondContact O-CG2 3.45Å; E34-V38 PolarHBondContact O-N 3.4Å; V35-V38 PolarHBondContact O-N 2.8Å; H36-V38 VanDerWaalsContact C-N 3.29Å; H36-V38 PolarHBondContact O-N 3.23Å; V38-R42 WeakPolarHBondContact O-CD 3.31Å; V38-R42 VanDerWaalsContact O-CG 3.29Å; V38-R42 WeakPolarHBondContact O-CG 3.35Å; V38-V50 HydrophobicContact CG1-CB 4.2Å; V38-V50 HydrophobicContact CG1-CG1 3.4Å; V38-V50 VanDerWaalsContact CG1-CG1 3.4Å; V38-V50 HydrophobicContact CG1-CG2 4.45Å; V38-F52 HydrophobicContact CG2-CD2 4.47Å |
| 39 | V | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -83.9 | -26.8 | -174.5 | -58.1 | 0 | 0 | 0 | 0 | 113.6 | V35 H36 I57 Y59 Y66 | V35-V39 HydrophobicContact CG1-CG1 4.45Å; V35-V39 WeakPolarHBondContact O-CG1 3.49Å; V35-V39 WeakPolarHBondContact O-CG2 3.33Å; V35-V39 PolarHBondContact O-N 2.89Å; H36-V39 PolarHBondContact O-N 3.13Å; V39-I57 HydrophobicContact CG1-CG2 4.09Å; V39-Y59 HydrophobicContact CB-CD2 3.97Å; V39-Y59 HydrophobicContact CB-CE2 4Å; V39-Y59 HydrophobicContact CB-CG 4.23Å; V39-Y59 HydrophobicContact CG1-CD1 3.95Å; V39-Y59 HydrophobicContact CG1-CD2 4.13Å; V39-Y59 HydrophobicContact CG1-CE1 4.29Å; V39-Y59 HydrophobicContact CG1-CE2 4.44Å; V39-Y59 HydrophobicContact CG1-CG 3.87Å; V39-Y66 HydrophobicContact CB-CD1 4.25Å; V39-Y66 HydrophobicContact CG2-CD1 3.75Å; V39-Y66 HydrophobicContact CG2-CE1 4.37Å; V39-Y66 HydrophobicContact CG2-CG 4.06Å |
| 40 | T | 95.9 | Very high | 96.9 | Very high | 41 Ų | 41 | 63.7 Ų | 63.7 | 25% | 0.252 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -77.9 | -29.6 | -174.3 | 49.9 | 0 | 0 | 0 | 0 | 114.3 | H36 R42 Y66 | H36-T40 VanDerWaalsContact NE2-CG2 3.32Å; H36-T40 WeakPolarHBondContact NE2-CG2 3.3Å; H36-T40 WeakPolarHBondContact O-CB 3.26Å; H36-T40 VanDerWaalsContact O-CG2 3.28Å; H36-T40 WeakPolarHBondContact O-CG2 3.32Å; H36-T40 PolarHBondContact O-N 3.08Å; H36-T40 VanDerWaalsContact O-N 3.07Å; H36-T40 PolarHBondContact O-OG1 2.97Å; T40-R42 PolarHBondContact O-N 2.95Å; T40-Y66 HydrophobicContact CG2-CD2 4.31Å; T40-Y66 HydrophobicContact CG2-CE1 4.33Å; T40-Y66 HydrophobicContact CG2-CE2 3.82Å |
| 41 | V | 95.4 | Very high | 96.9 | Very high | 122 Ų | 122 | 66.4 Ų | 66.4 | 74% | 0.739 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -7 | 178.3 | -60.2 | 0 | 0 | 0 | 0 | 113.4 | A37 | A37-V41 WeakPolarHBondContact O-CG2 3.42Š|
| 42 | R | 95.9 | Very high | 96.9 | Very high | 55 Ų | 55 | 66.8 Ų | 66.8 | 21% | 0.208 | 36% | 0.359 | C | S | . | . | trans | -88.5 | 137 | -175.7 | -63.2 | 173.1 | 69.7 | 89.9 | -9.1 | 111.3 | V38 T40 H46 T47 F49 Y59 | V38-R42 WeakPolarHBondContact O-CD 3.31Å; V38-R42 VanDerWaalsContact O-CG 3.29Å; V38-R42 WeakPolarHBondContact O-CG 3.35Å; T40-R42 PolarHBondContact O-N 2.95Å; R42-H46 HydrophobicContact CB-CB 4.17Å; R42-T47 PolarHBondContact NH2-O 2.87Å; R42-F49 PolarHBondContact NH2-O 2.84Å; R42-Y59 VanDerWaalsContact CB-OH 3.32Å; R42-Y59 WeakPolarHBondContact CB-OH 3.11Å; R42-Y59 WeakPolarHBondContact CD-OH 3.41Å; R42-Y59 PolarHBondContact NE-OH 2.94Å | ||
| 43 | D | 91.1 | Very high | 96.7 | Very high | 83 Ų | 83 | 71.4 Ų | 71.4 | 44% | 0.444 | 38% | 0.375 | S | S | . | . | trans | -103.1 | -176.8 | 179 | 71.4 | 11.5 | 0 | 0 | 0 | 112.8 | K45 H46 | D43-K45 PolarHBondContact O-N 2.66Å; D43-K45 VanDerWaalsContact O-N 3.13Å; D43-K45 VanDerWaalsContact OD1-CB 3.32Å; D43-K45 WeakPolarHBondContact OD1-CB 3.43Å; D43-K45 PolarHBondContact OD1-N 2.89Å; D43-H46 PolarHBondContact N-ND1 2.98Å; D43-H46 WeakPolarHBondContact O-CB 3.44Å; D43-H46 PolarHBondContact O-N 3.42Å; D43-H46 VanDerWaalsContact O-N 3.11Å; D43-H46 IonicContact OD1-CE1 3.43Å; D43-H46 PolarHBondContact OD1-CE1 3.08Å; D43-H46 IonicContact OD1-CG 3.92Å; D43-H46 IonicContact OD1-ND1 2.76Å; D43-H46 PolarHBondContact OD1-ND1 3.08Å | ||
| 44 | A | 90.2 | Very high | 96.6 | Very high | 109 Ų | 109 | 72.5 Ų | 72.5 | 90% | 0.901 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -9.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | H46 | A44-H46 VanDerWaalsContact C-N 3.31Š|
| 45 | K | 94.5 | Very high | 96.6 | Very high | 188 Ų | 188 | 71.6 Ų | 71.6 | 82% | 0.817 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -15.9 | 175.4 | -58.3 | 177.5 | -179.6 | 175.4 | 0 | 111.9 | D43 | D43-K45 PolarHBondContact O-N 2.66Å; D43-K45 VanDerWaalsContact O-N 3.13Å; D43-K45 VanDerWaalsContact OD1-CB 3.32Å; D43-K45 WeakPolarHBondContact OD1-CB 3.43Å; D43-K45 PolarHBondContact OD1-N 2.89Å |
| 46 | H | 96.5 | Very high | 96.6 | Very high | 88 Ų | 88 | 73.6 Ų | 73.6 | 41% | 0.407 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -86.2 | 149 | 177.9 | -65.9 | 82.3 | 0 | 0 | 0 | 110.9 | R42 D43 A44 | R42-H46 HydrophobicContact CB-CB 4.17Å; D43-H46 PolarHBondContact N-ND1 2.98Å; D43-H46 WeakPolarHBondContact O-CB 3.44Å; D43-H46 PolarHBondContact O-N 3.42Å; D43-H46 VanDerWaalsContact O-N 3.11Å; D43-H46 IonicContact OD1-CE1 3.43Å; D43-H46 PolarHBondContact OD1-CE1 3.08Å; D43-H46 IonicContact OD1-CG 3.92Å; D43-H46 IonicContact OD1-ND1 2.76Å; D43-H46 PolarHBondContact OD1-ND1 3.08Å; A44-H46 VanDerWaalsContact C-N 3.31Å |
| 47 | T | 97.1 | Very high | 96.6 | Very high | 84 Ų | 84 | 72 Ų | 72 | 52% | 0.515 | 38% | 0.381 | S | S | . | . | trans | -72.9 | 161 | 171.5 | 64.2 | 0 | 0 | 0 | 0 | 110.9 | R42 F49 | R42-T47 PolarHBondContact NH2-O 2.87Å; T47-F49 PolarHBondContact O-N 3.09Å; T47-F49 VanDerWaalsContact O-N 3.1Å; T47-F49 PolarHBondContact OG1-O 3.08Å | ||
| 48 | N | 98.2 | Very high | 96.6 | Very high | 55 Ų | 55 | 69.5 Ų | 69.5 | 29% | 0.294 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -69.2 | 5.5 | 172.4 | -67.7 | 103.5 | 0 | 0 | 0 | 114.4 | I58 Y59 L81 | N48-I58 WeakPolarHBondContact O-CA 3.34Å; N48-Y59 VanDerWaalsContact CB-O 3.27Å; N48-Y59 WeakPolarHBondContact CB-O 3.48Å; N48-Y59 PolarHBondContact ND2-O 3.17Å; N48-Y59 WeakPolarHBondContact O-CD1 3.25Å; N48-Y59 PolarHBondContact O-N 2.77Å; N48-L81 HydrophobicContact CB-CD1 3.85Å; N48-L81 HydrophobicContact CB-CD2 4.16Å |
| 49 | F | 98.4 | Very high | 96.7 | Very high | 51 Ų | 51 | 68 Ų | 68 | 22% | 0.224 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 131.4 | -175.8 | -44.9 | -48.1 | 0 | 0 | 0 | 109.7 | R42 T47 I57 I58 N77 L78 L81 | R42-F49 PolarHBondContact NH2-O 2.84Å; T47-F49 PolarHBondContact O-N 3.09Å; T47-F49 VanDerWaalsContact O-N 3.1Å; T47-F49 PolarHBondContact OG1-O 3.08Å; F49-I57 WeakPolarHBondContact CA-O 3.46Å; F49-I58 HydrophobicContact CD1-CB 4.28Å; F49-I58 HydrophobicContact CD1-CD1 3.99Å; F49-I58 HydrophobicContact CD1-CG1 3.78Å; F49-I58 HydrophobicContact CD1-CG2 4.03Å; F49-I58 HydrophobicContact CE1-CG1 4.2Å; F49-I58 HydrophobicContact CE1-CG2 3.94Å; F49-N77 HydrophobicContact CD1-CB 3.79Å; F49-N77 HydrophobicContact CD2-CB 4.25Å; F49-N77 HydrophobicContact CE1-CB 3.62Å; F49-N77 HydrophobicContact CE2-CB 4.08Å; F49-N77 HydrophobicContact CG-CB 4.11Å; F49-N77 HydrophobicContact CZ-CB 3.77Å; F49-L78 HydrophobicContact CZ-CD2 3.99Å; F49-L81 HydrophobicContact CE1-CB 4.17Å; F49-L81 HydrophobicContact CE1-CD2 4.16Å; F49-L81 HydrophobicContact CZ-CD2 4.05Å |
| 50 | V | 98 | Very high | 96.7 | Very high | 13 Ų | 13 | 71 Ų | 71 | 8% | 0.079 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 127.8 | -179.4 | -162.8 | 0 | 0 | 0 | 0 | 109.5 | V38 F52 K56 I57 Y59 | V38-V50 HydrophobicContact CG1-CB 4.2Å; V38-V50 HydrophobicContact CG1-CG1 3.4Å; V38-V50 VanDerWaalsContact CG1-CG1 3.4Å; V38-V50 HydrophobicContact CG1-CG2 4.45Å; V50-F52 PolarHBondContact O-N 3.38Å; V50-K56 CarbonylContact O-C 3.59Å; V50-K56 VanDerWaalsContact O-CA 3.27Å; V50-K56 WeakPolarHBondContact O-CA 3.4Å; V50-I57 HydrophobicContact CB-CB 4.42Å; V50-I57 PolarHBondContact N-O 3.45Å; V50-I57 PolarHBondContact O-N 3.39Å; V50-Y59 HydrophobicContact CG2-CD1 3.97Å; V50-Y59 HydrophobicContact CG2-CE1 3.59Å |
| 51 | E | 97.3 | Very high | 96.8 | Very high | 166 Ų | 166 | 74.8 Ų | 74.8 | 78% | 0.776 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66 | 130.4 | 166.6 | -66 | -175 | 170.6 | 0 | 0 | 108.9 | ||
| 52 | F | 98.1 | Very high | 96.9 | Very high | 11 Ų | 11 | 71.8 Ų | 71.8 | 5% | 0.048 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 105.2 | -173.6 | 179.1 | -102.8 | 0 | 0 | 0 | 109.5 | L31 E34 V35 V38 V50 N54 F55 I57 | L31-F52 HydrophobicContact CD2-CE1 3.68Å; L31-F52 HydrophobicContact CD2-CZ 3.92Å; E34-F52 HydrophobicContact CB-CE2 3.75Å; E34-F52 HydrophobicContact CB-CZ 3.89Å; E34-F52 WeakPolarHBondContact OE2-CZ 3.39Å; V35-F52 HydrophobicContact CG2-CE1 4.12Å; V35-F52 HydrophobicContact CG2-CE2 4.27Å; V35-F52 HydrophobicContact CG2-CZ 3.94Å; V38-F52 HydrophobicContact CG2-CD2 4.47Å; V50-F52 PolarHBondContact O-N 3.38Å; F52-N54 PolarHBondContact O-N 3.32Å; F52-F55 CarbonylContact C-O 3.52Å; F52-F55 PolarHBondContact N-O 3.08Å; F52-F55 CarbonylContact O-C 3.39Å; F52-F55 WeakPolarHBondContact O-CA 3.22Å; F52-F55 WeakPolarHBondContact O-CB 3.31Å; F52-F55 PolarHBondContact O-N 3.45Å; F52-F55 VanDerWaalsContact O-O 3.09Å; F52-I57 HydrophobicContact CB-CD1 4.38Å; F52-I57 HydrophobicContact CB-CG1 3.62Å; F52-I57 HydrophobicContact CD1-CD1 3.95Å; F52-I57 HydrophobicContact CD1-CG1 4.03Å; F52-I57 HydrophobicContact CD2-CG1 4.4Å; F52-I57 HydrophobicContact CG-CD1 4.2Å; F52-I57 HydrophobicContact CG-CG1 3.75Å |
| 53 | R | 96.2 | Very high | 96.8 | Very high | 117 Ų | 117 | 73.2 Ų | 73.2 | 44% | 0.442 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | -125.1 | -172.4 | -54.5 | 176.2 | 170.1 | -157.5 | 4.8 | 109.4 | E27 E34 F55 | E27-R53 IonicContact OE1-CZ 3.17Å; E27-R53 IonicContact OE1-NH1 2.91Å; E27-R53 PolarHBondContact OE1-NH1 2.81Å; E27-R53 IonicContact OE1-NH2 3.89Å; E34-R53 IonicContact OE1-CZ 2.66Å; E34-R53 IonicContact OE1-NE 3.88Å; E34-R53 IonicContact OE1-NH2 2.77Å; E34-R53 PolarHBondContact OE1-NH2 3.35Å; E34-R53 IonicContact OE2-CZ 3.72Å; E34-R53 VanDerWaalsContact OE2-CZ 3.26Å; E34-R53 IonicContact OE2-NE 3.95Å; E34-R53 PolarHBondContact OE2-NE 3.44Å; E34-R53 IonicContact OE2-NH2 2.75Å; E34-R53 PolarHBondContact OE2-NH2 3.01Å; R53-F55 VanDerWaalsContact C-N 3.31Å |
| 54 | N | 96.2 | Very high | 97 | Very high | 137 Ų | 137 | 70.2 Ų | 70.2 | 73% | 0.733 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | 16.7 | 176.4 | -60.9 | -35.4 | 0 | 0 | 0 | 113.2 | F52 V73 | F52-N54 PolarHBondContact O-N 3.32Å; N54-V73 WeakPolarHBondContact O-CG1 3.46Å |
| 55 | F | 98 | Very high | 97.4 | Very high | 51 Ų | 51 | 65.7 Ų | 65.7 | 22% | 0.224 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | -177.3 | -173.3 | -57.9 | -62.8 | 0 | 0 | 0 | 110.7 | R3 F52 R53 V71 | R3-F55 HydrophobicContact CG-CD1 4.03Å; R3-F55 HydrophobicContact CG-CE1 4Å; R3-F55 HydrophobicContact CG-CG 4.49Å; R3-F55 HydrophobicContact CG-CZ 4.4Å; R3-F55 VanDerWaalsContact NE-CE1 3.35Å; F52-F55 CarbonylContact C-O 3.52Å; F52-F55 PolarHBondContact N-O 3.08Å; F52-F55 CarbonylContact O-C 3.39Å; F52-F55 WeakPolarHBondContact O-CA 3.22Å; F52-F55 WeakPolarHBondContact O-CB 3.31Å; F52-F55 PolarHBondContact O-N 3.45Å; F52-F55 VanDerWaalsContact O-O 3.09Å; R53-F55 VanDerWaalsContact C-N 3.31Å; F55-V71 WeakPolarHBondContact CB-O 3.14Å |
| 56 | K | 98.4 | Very high | 97.6 | Very high | 42 Ų | 42 | 57.3 Ų | 57.3 | 18% | 0.183 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 138.7 | 169.2 | -69.6 | 175.7 | -179.3 | 163.3 | 0 | 110.3 | V50 I58 C70 V71 V73 | V50-K56 CarbonylContact O-C 3.59Å; V50-K56 VanDerWaalsContact O-CA 3.27Å; V50-K56 WeakPolarHBondContact O-CA 3.4Å; K56-I58 HydrophobicContact CB-CD1 3.71Å; K56-C70 WeakPolarHBondContact O-CA 3.31Å; K56-V71 HydrophobicContact CB-CG2 4.25Å; K56-V71 PolarHBondContact N-O 2.77Å; K56-V71 PolarHBondContact O-N 3.31Å; K56-V73 HydrophobicContact CG-CG1 4.23Å; K56-V73 PolarHBondContact NZ-O 2.95Å |
| 57 | I | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 120 | 166 | -58.7 | -58.3 | 0 | 0 | 0 | 108.4 | F4 V35 V39 F49 V50 F52 C68 C70 | F4-I57 HydrophobicContact CE2-CD1 4.22Å; F4-I57 HydrophobicContact CZ-CD1 4.17Å; V35-I57 HydrophobicContact CG1-CG2 4.47Å; V35-I57 HydrophobicContact CG2-CD1 3.83Å; V35-I57 HydrophobicContact CG2-CG1 4.23Å; V39-I57 HydrophobicContact CG1-CG2 4.09Å; F49-I57 WeakPolarHBondContact CA-O 3.46Å; V50-I57 HydrophobicContact CB-CB 4.42Å; V50-I57 PolarHBondContact N-O 3.45Å; V50-I57 PolarHBondContact O-N 3.39Å; F52-I57 HydrophobicContact CB-CD1 4.38Å; F52-I57 HydrophobicContact CB-CG1 3.62Å; F52-I57 HydrophobicContact CD1-CD1 3.95Å; F52-I57 HydrophobicContact CD1-CG1 4.03Å; F52-I57 HydrophobicContact CD2-CG1 4.4Å; F52-I57 HydrophobicContact CG-CD1 4.2Å; F52-I57 HydrophobicContact CG-CG1 3.75Å; I57-C68 HydrophobicContact CG2-CB 4.05Å; I57-C70 HydrophobicContact CD1-CB 3.5Å; I57-C70 VanDerWaalsContact CD1-CB 3.5Å |
| 58 | I | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 121.7 | 170.2 | -66.3 | 23.2 | 0 | 0 | 0 | 105.2 | N48 F49 K56 C68 I69 V71 N77 L81 I84 | N48-I58 WeakPolarHBondContact O-CA 3.34Å; F49-I58 HydrophobicContact CD1-CB 4.28Å; F49-I58 HydrophobicContact CD1-CD1 3.99Å; F49-I58 HydrophobicContact CD1-CG1 3.78Å; F49-I58 HydrophobicContact CD1-CG2 4.03Å; F49-I58 HydrophobicContact CE1-CG1 4.2Å; F49-I58 HydrophobicContact CE1-CG2 3.94Å; K56-I58 HydrophobicContact CB-CD1 3.71Å; I58-C68 WeakPolarHBondContact O-CA 3.12Å; I58-I69 PolarHBondContact N-O 2.94Å; I58-I69 PolarHBondContact O-N 2.66Å; I58-V71 HydrophobicContact CD1-CG2 3.76Å; I58-V71 HydrophobicContact CG1-CG2 4.17Å; I58-N77 HydrophobicContact CD1-CB 4.5Å; I58-N77 HydrophobicContact CG1-CB 4.3Å; I58-L81 HydrophobicContact CG2-CB 4.01Å; I58-L81 HydrophobicContact CG2-CD1 4.46Å; I58-I84 HydrophobicContact CG2-CD1 4.13Å; I58-I84 WeakPolarHBondContact O-CD1 3.15Å |
| 59 | Y | 98.8 | Very high | 97.8 | Very high | 15 Ų | 15 | 47.3 Ų | 47.3 | 6% | 0.059 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 151 | -175.3 | 79.7 | -74.6 | 0 | 0 | 0 | 113.6 | V39 R42 N48 V50 Y66 F67 C68 | V39-Y59 HydrophobicContact CB-CD2 3.97Å; V39-Y59 HydrophobicContact CB-CE2 4Å; V39-Y59 HydrophobicContact CB-CG 4.23Å; V39-Y59 HydrophobicContact CG1-CD1 3.95Å; V39-Y59 HydrophobicContact CG1-CD2 4.13Å; V39-Y59 HydrophobicContact CG1-CE1 4.29Å; V39-Y59 HydrophobicContact CG1-CE2 4.44Å; V39-Y59 HydrophobicContact CG1-CG 3.87Å; R42-Y59 VanDerWaalsContact CB-OH 3.32Å; R42-Y59 WeakPolarHBondContact CB-OH 3.11Å; R42-Y59 WeakPolarHBondContact CD-OH 3.41Å; R42-Y59 PolarHBondContact NE-OH 2.94Å; N48-Y59 VanDerWaalsContact CB-O 3.27Å; N48-Y59 WeakPolarHBondContact CB-O 3.48Å; N48-Y59 PolarHBondContact ND2-O 3.17Å; N48-Y59 WeakPolarHBondContact O-CD1 3.25Å; N48-Y59 PolarHBondContact O-N 2.77Å; V50-Y59 HydrophobicContact CG2-CD1 3.97Å; V50-Y59 HydrophobicContact CG2-CE1 3.59Å; Y59-Y66 HydrophobicContact CD2-CD1 4.19Å; Y59-Y66 HydrophobicContact CE2-CD1 4.32Å; Y59-F67 CarbonylContact C-O 3.53Å; Y59-F67 WeakPolarHBondContact CA-O 3.4Å; Y59-F67 WeakPolarHBondContact CB-O 3.24Å; Y59-C68 VanDerWaalsContact CB-SG 3.6Å |
| 60 | R | 98.5 | Very high | 97.8 | Very high | 63 Ų | 63 | 44.9 Ų | 44.9 | 24% | 0.238 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 139.2 | 169 | -173.8 | 172.6 | -93.8 | 176.7 | -5 | 110.2 | Y62 F67 L81 I84 H85 | R60-Y62 HydrophobicContact CB-CD2 4.48Å; R60-Y62 HydrophobicContact CB-CE2 3.9Å; R60-Y62 VanDerWaalsContact CD-CE2 3.46Å; R60-Y62 VanDerWaalsContact CD-CZ 3.42Å; R60-Y62 VanDerWaalsContact CD-OH 3.22Å; R60-Y62 WeakPolarHBondContact CD-OH 3.38Å; R60-Y62 HydrophobicContact CG-CD2 4.11Å; R60-Y62 HydrophobicContact CG-CE2 3.5Å; R60-Y62 VanDerWaalsContact CG-CE2 3.5Å; R60-F67 PolarHBondContact N-O 2.84Å; R60-F67 PolarHBondContact O-N 2.96Å; R60-L81 HydrophobicContact CB-CD1 4.12Å; R60-I84 HydrophobicContact CB-CG2 3.98Å; R60-H85 PolarHBondContact NH1-ND1 3.05Å |
| 61 | R | 97.6 | Very high | 97.8 | Very high | 120 Ų | 120 | 44.2 Ų | 44.2 | 45% | 0.453 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 127.7 | 177.2 | -179 | -178.2 | 168.6 | -175.1 | -3.1 | 110 | A63 L65 Y66 | R61-A63 PolarHBondContact NE-O 3.22Å; R61-A63 VanDerWaalsContact NE-O 3.15Å; R61-L65 CarbonylContact C-O 3.51Å; R61-L65 VanDerWaalsContact CA-O 3.31Å; R61-L65 WeakPolarHBondContact CA-O 3.29Å; R61-Y66 HydrophobicContact CB-CD1 4.3Å; R61-Y66 HydrophobicContact CB-CE1 4.33Å; R61-Y66 HydrophobicContact CG-CD1 4.45Å; R61-Y66 HydrophobicContact CG-CE1 4.23Å |
| 62 | Y | 97.3 | Very high | 97.9 | Very high | 59 Ų | 59 | 37.7 Ų | 37.7 | 23% | 0.231 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 109.6 | 170.7 | -69.8 | -91.5 | 0 | 0 | 0 | 108.5 | R60 G64 L65 F67 I84 H85 V88 | R60-Y62 HydrophobicContact CB-CD2 4.48Å; R60-Y62 HydrophobicContact CB-CE2 3.9Å; R60-Y62 VanDerWaalsContact CD-CE2 3.46Å; R60-Y62 VanDerWaalsContact CD-CZ 3.42Å; R60-Y62 VanDerWaalsContact CD-OH 3.22Å; R60-Y62 WeakPolarHBondContact CD-OH 3.38Å; R60-Y62 HydrophobicContact CG-CD2 4.11Å; R60-Y62 HydrophobicContact CG-CE2 3.5Å; R60-Y62 VanDerWaalsContact CG-CE2 3.5Å; Y62-G64 PolarHBondContact O-N 3.37Å; Y62-L65 PolarHBondContact N-O 2.75Å; Y62-L65 PolarHBondContact O-N 3.03Å; Y62-F67 AromaticContact CD2-CD2 3.79Å; Y62-F67 HydrophobicContact CD2-CD2 3.79Å; Y62-F67 HydrophobicContact CD2-CE2 4.07Å; Y62-F67 HydrophobicContact CD2-CG 4.5Å; Y62-F67 HydrophobicContact CG-CE2 4.46Å; Y62-I84 HydrophobicContact CE2-CG2 4.15Å; Y62-H85 WeakPolarHBondContact OH-CA 3.43Å; Y62-H85 PolarHBondContact OH-ND1 2.99Å; Y62-V88 HydrophobicContact CD1-CG1 3.95Å; Y62-V88 HydrophobicContact CD2-CG1 4.45Å; Y62-V88 HydrophobicContact CD2-CG2 3.91Å; Y62-V88 HydrophobicContact CE1-CB 4.35Å; Y62-V88 HydrophobicContact CE1-CG1 3.87Å; Y62-V88 HydrophobicContact CE2-CB 4.24Å; Y62-V88 HydrophobicContact CE2-CG1 4.4Å; Y62-V88 HydrophobicContact CE2-CG2 3.71Å; Y62-V88 HydrophobicContact CG-CG1 4.22Å; Y62-V88 HydrophobicContact CG-CG2 4.44Å |
| 63 | A | 94.4 | Very high | 97.8 | Very high | 86 Ų | 86 | 40.6 Ų | 40.6 | 71% | 0.711 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | -103.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | R10 R61 | R10-A63 PolarHBondContact NH2-O 2.7Å; R61-A63 PolarHBondContact NE-O 3.22Å; R61-A63 VanDerWaalsContact NE-O 3.15Å |
| 64 | G | 94.8 | Very high | 97.8 | Very high | 19 Ų | 19 | 41 Ų | 41 | 20% | 0.196 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | N9 R10 Y62 | N9-G64 CarbonylContact C-O 3.47Å; N9-G64 WeakPolarHBondContact CA-O 3.4Å; R10-G64 WeakPolarHBondContact CG-O 3.41Å; R10-G64 PolarHBondContact N-O 2.75Å; Y62-G64 PolarHBondContact O-N 3.37Å |
| 65 | L | 98.4 | Very high | 97.9 | Very high | 14 Ų | 14 | 36.3 Ų | 36.3 | 7% | 0.073 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 143.4 | -172.1 | -63.8 | 176.4 | 0 | 0 | 0 | 111.8 | I7 Q8 N9 R15 R61 Y62 F67 E100 L103 | I7-L65 HydrophobicContact CG2-CB 4.45Å; I7-L65 HydrophobicContact CG2-CD2 4.46Å; Q8-L65 CarbonylContact O-C 3.58Å; Q8-L65 WeakPolarHBondContact O-CA 3.31Å; N9-L65 HydrophobicContact CB-CD2 3.75Å; R15-L65 HydrophobicContact CG-CD2 3.99Å; R61-L65 CarbonylContact C-O 3.51Å; R61-L65 VanDerWaalsContact CA-O 3.31Å; R61-L65 WeakPolarHBondContact CA-O 3.29Å; Y62-L65 PolarHBondContact N-O 2.75Å; Y62-L65 PolarHBondContact O-N 3.03Å; L65-F67 HydrophobicContact CB-CD2 4.23Å; L65-F67 HydrophobicContact CB-CE2 3.69Å; L65-F67 HydrophobicContact CD1-CE2 4.18Å; L65-F67 HydrophobicContact CD1-CZ 4.31Å; L65-E100 HydrophobicContact CD1-CB 4.22Å; L65-E100 HydrophobicContact CD1-CG 4.45Å; L65-E100 HydrophobicContact CD2-CG 4.01Å; L65-L103 HydrophobicContact CD1-CD2 3.99Å |
| 66 | Y | 98.7 | Very high | 97.8 | Very high | 13 Ų | 13 | 38.6 Ų | 38.6 | 5% | 0.051 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 116.7 | 172.5 | -63.5 | -98.9 | 0 | 0 | 0 | 107.6 | I7 Q8 R10 V39 T40 Y59 R61 | I7-Y66 WeakPolarHBondContact CA-O 3.33Å; Q8-Y66 PolarHBondContact N-O 2.86Å; Q8-Y66 PolarHBondContact O-N 2.83Å; R10-Y66 HydrophobicContact CG-CE2 4.08Å; V39-Y66 HydrophobicContact CB-CD1 4.25Å; V39-Y66 HydrophobicContact CG2-CD1 3.75Å; V39-Y66 HydrophobicContact CG2-CE1 4.37Å; V39-Y66 HydrophobicContact CG2-CG 4.06Å; T40-Y66 HydrophobicContact CG2-CD2 4.31Å; T40-Y66 HydrophobicContact CG2-CE1 4.33Å; T40-Y66 HydrophobicContact CG2-CE2 3.82Å; Y59-Y66 HydrophobicContact CD2-CD1 4.19Å; Y59-Y66 HydrophobicContact CE2-CD1 4.32Å; R61-Y66 HydrophobicContact CB-CD1 4.3Å; R61-Y66 HydrophobicContact CB-CE1 4.33Å; R61-Y66 HydrophobicContact CG-CD1 4.45Å; R61-Y66 HydrophobicContact CG-CE1 4.23Å |
| 67 | F | 98.8 | Very high | 97.8 | Very high | 13 Ų | 13 | 38.1 Ų | 38.1 | 6% | 0.057 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 118.2 | 174.2 | -69.3 | -109.4 | 0 | 0 | 0 | 107.2 | I7 Y59 R60 Y62 L65 I84 F87 V88 L91 L103 | I7-F67 HydrophobicContact CD1-CD1 3.73Å; I7-F67 HydrophobicContact CD1-CE1 3.55Å; I7-F67 HydrophobicContact CD1-CZ 4.42Å; I7-F67 HydrophobicContact CG1-CD1 3.74Å; I7-F67 HydrophobicContact CG1-CE1 4.02Å; I7-F67 HydrophobicContact CG1-CG 4.34Å; I7-F67 HydrophobicContact CG2-CD1 4.27Å; I7-F67 HydrophobicContact CG2-CD2 4.4Å; I7-F67 HydrophobicContact CG2-CE1 4.14Å; I7-F67 HydrophobicContact CG2-CE2 4.26Å; I7-F67 HydrophobicContact CG2-CG 4.4Å; I7-F67 HydrophobicContact CG2-CZ 4.12Å; Y59-F67 CarbonylContact C-O 3.53Å; Y59-F67 WeakPolarHBondContact CA-O 3.4Å; Y59-F67 WeakPolarHBondContact CB-O 3.24Å; R60-F67 PolarHBondContact N-O 2.84Å; R60-F67 PolarHBondContact O-N 2.96Å; Y62-F67 AromaticContact CD2-CD2 3.79Å; Y62-F67 HydrophobicContact CD2-CD2 3.79Å; Y62-F67 HydrophobicContact CD2-CE2 4.07Å; Y62-F67 HydrophobicContact CD2-CG 4.5Å; Y62-F67 HydrophobicContact CG-CE2 4.46Å; L65-F67 HydrophobicContact CB-CD2 4.23Å; L65-F67 HydrophobicContact CB-CE2 3.69Å; L65-F67 HydrophobicContact CD1-CE2 4.18Å; L65-F67 HydrophobicContact CD1-CZ 4.31Å; F67-I84 HydrophobicContact CB-CG2 3.61Å; F67-I84 HydrophobicContact CG-CG2 4.34Å; F67-F87 HydrophobicContact CD1-CD1 4.11Å; F67-F87 HydrophobicContact CD1-CE1 4.08Å; F67-F87 HydrophobicContact CE1-CD1 4.19Å; F67-F87 AromaticContact CE1-CE1 3.93Å; F67-F87 HydrophobicContact CE1-CE1 3.93Å; F67-V88 HydrophobicContact CD1-CG2 3.89Å; F67-V88 HydrophobicContact CD2-CG2 4.37Å; F67-V88 HydrophobicContact CE1-CG2 3.64Å; F67-V88 HydrophobicContact CE2-CG2 4.16Å; F67-V88 HydrophobicContact CG-CG2 4.25Å; F67-V88 HydrophobicContact CZ-CG2 3.8Å; F67-L91 HydrophobicContact CE1-CD1 4.34Å; F67-L103 HydrophobicContact CZ-CD2 4.42Å |
| 68 | C | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 132.7 | -171.5 | -60 | 0 | 0 | 0 | 0 | 110 | I5 L6 V35 I57 I58 Y59 | I5-C68 WeakPolarHBondContact CA-O 3.47Å; L6-C68 HydrophobicContact CB-CB 4.37Å; L6-C68 PolarHBondContact N-O 2.95Å; L6-C68 PolarHBondContact O-N 3.18Å; V35-C68 HydrophobicContact CG1-CB 4.11Å; I57-C68 HydrophobicContact CG2-CB 4.05Å; I58-C68 WeakPolarHBondContact O-CA 3.12Å; Y59-C68 VanDerWaalsContact CB-SG 3.6Å |
| 69 | I | 98.9 | Very high | 97.7 | Very high | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.015 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 126.1 | 169.8 | -57.1 | -173.9 | 0 | 0 | 0 | 107.6 | I2 I5 I58 V71 Y80 I84 F118 | I2-I69 HydrophobicContact CB-CG2 4.28Å; I2-I69 HydrophobicContact CD1-CG2 4.27Å; I2-I69 HydrophobicContact CG1-CG2 3.86Å; I2-I69 HydrophobicContact CG2-CG2 3.6Å; I5-I69 HydrophobicContact CG1-CG1 4.2Å; I5-I69 HydrophobicContact CG1-CG2 4.48Å; I5-I69 HydrophobicContact CG2-CG1 4.36Å; I58-I69 PolarHBondContact N-O 2.94Å; I58-I69 PolarHBondContact O-N 2.66Å; I69-V71 HydrophobicContact CG2-CG1 3.58Å; I69-Y80 HydrophobicContact CD1-CD1 4.43Å; I69-Y80 HydrophobicContact CG2-CD1 4.09Å; I69-I84 HydrophobicContact CD1-CD1 4.2Å; I69-I84 HydrophobicContact CD1-CG1 3.6Å; I69-I84 HydrophobicContact CG1-CD1 3.96Å; I69-I84 HydrophobicContact CG1-CG1 3.79Å; I69-F118 HydrophobicContact CD1-CE1 4.17Å; I69-F118 HydrophobicContact CD1-CZ 4.26Å |
| 70 | C | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 126 | 173.1 | -175.7 | 0 | 0 | 0 | 0 | 109.9 | I2 R3 F4 K56 I57 | I2-C70 CarbonylContact C-O 3.58Å; I2-C70 WeakPolarHBondContact CA-O 3.25Å; R3-C70 HydrophobicContact CB-CB 4.24Å; R3-C70 PolarHBondContact N-O 2.76Å; F4-C70 HydrophobicContact CD1-CB 3.81Å; F4-C70 HydrophobicContact CD2-CB 3.66Å; F4-C70 HydrophobicContact CE1-CB 3.51Å; F4-C70 VanDerWaalsContact CE1-SG 3.59Å; F4-C70 HydrophobicContact CE2-CB 3.36Å; F4-C70 HydrophobicContact CG-CB 3.9Å; F4-C70 HydrophobicContact CZ-CB 3.29Å; F4-C70 PolarHBondContact O-N 3.11Å; K56-C70 WeakPolarHBondContact O-CA 3.31Å; I57-C70 HydrophobicContact CD1-CB 3.5Å; I57-C70 VanDerWaalsContact CD1-CB 3.5Å |
| 71 | V | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 168.2 | -171.9 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | M1 I2 F55 K56 I58 I69 D75 Y80 | M1-V71 WeakPolarHBondContact O-CA 3.49Å; I2-V71 HydrophobicContact CG1-CG1 4.32Å; F55-V71 WeakPolarHBondContact CB-O 3.14Å; K56-V71 HydrophobicContact CB-CG2 4.25Å; K56-V71 PolarHBondContact N-O 2.77Å; K56-V71 PolarHBondContact O-N 3.31Å; I58-V71 HydrophobicContact CD1-CG2 3.76Å; I58-V71 HydrophobicContact CG1-CG2 4.17Å; I69-V71 HydrophobicContact CG2-CG1 3.58Å; V71-D75 HydrophobicContact CB-CB 4.24Å; V71-D75 WeakPolarHBondContact CB-OD2 3.4Å; V71-D75 HydrophobicContact CG2-CB 4.18Å; V71-Y80 HydrophobicContact CB-CD2 4.37Å; V71-Y80 HydrophobicContact CB-CE2 4.23Å; V71-Y80 HydrophobicContact CG1-CD1 3.87Å; V71-Y80 HydrophobicContact CG1-CD2 3.79Å; V71-Y80 HydrophobicContact CG1-CE1 3.91Å; V71-Y80 HydrophobicContact CG1-CE2 3.84Å; V71-Y80 HydrophobicContact CG1-CG 3.78Å; V71-Y80 HydrophobicContact CG2-CD2 4.33Å |
| 72 | D | 97.9 | Very high | 97.8 | Very high | 29 Ų | 29 | 41.3 Ų | 41.3 | 16% | 0.155 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 151.1 | 177.1 | -65.9 | -46.4 | 0 | 0 | 0 | 111.6 | M1 R3 T74 D75 | M1-D72 PolarHBondContact N-OD2 2.91Å; M1-D72 PolarHBondContact O-N 2.77Å; R3-D72 IonicContact CZ-OD1 2.97Å; R3-D72 IonicContact CZ-OD2 3.26Å; R3-D72 IonicContact NE-OD1 3.49Å; R3-D72 PolarHBondContact NE-OD1 3.21Å; R3-D72 IonicContact NE-OD2 2.81Å; R3-D72 IonicContact NH2-OD1 3.42Å; R3-D72 PolarHBondContact NH2-OD1 3.3Å; R3-D72 IonicContact NH2-OD2 2.63Å; R3-D72 PolarHBondContact NH2-OD2 2.76Å; D72-T74 PolarHBondContact O-N 2.93Å; D72-T74 VanDerWaalsContact O-N 3.09Å; D72-D75 PolarHBondContact N-OD2 3.49Å; D72-D75 VanDerWaalsContact O-CB 3.31Å; D72-D75 WeakPolarHBondContact O-CB 3.36Å; D72-D75 PolarHBondContact O-N 3.42Å; D72-D75 VanDerWaalsContact O-N 3.08Å |
| 73 | V | 96.7 | Very high | 97.9 | Very high | 71 Ų | 71 | 39 Ų | 39 | 43% | 0.43 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -22.7 | -177.3 | -66.1 | 0 | 0 | 0 | 0 | 113.7 | N54 K56 | N54-V73 WeakPolarHBondContact O-CG1 3.46Å; K56-V73 HydrophobicContact CG-CG1 4.23Å; K56-V73 PolarHBondContact NZ-O 2.95Å |
| 74 | T | 96.6 | Very high | 98.1 | Very high | 126 Ų | 126 | 35.1 Ų | 35.1 | 77% | 0.773 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -7.7 | -179.5 | 53.9 | 0 | 0 | 0 | 0 | 113.7 | D72 | D72-T74 PolarHBondContact O-N 2.93Å; D72-T74 VanDerWaalsContact O-N 3.09Å |
| 75 | D | 97.2 | Very high | 98.3 | Very high | 38 Ų | 38 | 37 Ų | 37 | 20% | 0.203 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -73.4 | 159.7 | -175 | -83.4 | -29.4 | 0 | 0 | 0 | 113.6 | M1 V71 D72 N77 Y80 | M1-D75 PolarHBondContact N-OD1 3.43Å; M1-D75 VanDerWaalsContact N-OD1 3.09Å; M1-D75 PolarHBondContact N-OD2 2.95Å; V71-D75 HydrophobicContact CB-CB 4.24Å; V71-D75 WeakPolarHBondContact CB-OD2 3.4Å; V71-D75 HydrophobicContact CG2-CB 4.18Å; D72-D75 PolarHBondContact N-OD2 3.49Å; D72-D75 VanDerWaalsContact O-CB 3.31Å; D72-D75 WeakPolarHBondContact O-CB 3.36Å; D72-D75 PolarHBondContact O-N 3.42Å; D72-D75 VanDerWaalsContact O-N 3.08Å; D75-N77 PolarHBondContact O-N 2.62Å; D75-N77 VanDerWaalsContact O-N 3.08Å; D75-Y80 HydrophobicContact CB-CD2 4.49Å; D75-Y80 HydrophobicContact CB-CE2 3.76Å |
| 76 | N | 97.2 | Very high | 98.3 | Very high | 100 Ų | 100 | 37.5 Ų | 37.5 | 54% | 0.535 | 21% | 0.206 | S | C | . | . | trans | -76 | 96.4 | 173.7 | -175.8 | -12.5 | 0 | 0 | 0 | 111.2 | L78 A79 Y80 | N76-L78 PolarHBondContact O-N 3.16Å; N76-L78 VanDerWaalsContact O-N 3.17Å; N76-L78 PolarHBondContact OD1-N 3.15Å; N76-L78 VanDerWaalsContact OD1-N 3.08Å; N76-A79 HydrophobicContact CB-CB 4.07Å; N76-A79 WeakPolarHBondContact O-CB 3.32Å; N76-A79 PolarHBondContact O-N 3.09Å; N76-A79 VanDerWaalsContact O-N 3.08Å; N76-A79 PolarHBondContact OD1-N 2.89Å; N76-Y80 VanDerWaalsContact O-CD2 3.25Å; N76-Y80 WeakPolarHBondContact O-CD2 3.25Å | ||
| 77 | N | 97.6 | Very high | 98.3 | Very high | 32 Ų | 32 | 37.1 Ų | 37.1 | 17% | 0.171 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -50.6 | -39.4 | 178.5 | -64.1 | -13.9 | 0 | 0 | 0 | 114.3 | F49 I58 D75 Y80 L81 | F49-N77 HydrophobicContact CD1-CB 3.79Å; F49-N77 HydrophobicContact CD2-CB 4.25Å; F49-N77 HydrophobicContact CE1-CB 3.62Å; F49-N77 HydrophobicContact CE2-CB 4.08Å; F49-N77 HydrophobicContact CG-CB 4.11Å; F49-N77 HydrophobicContact CZ-CB 3.77Å; I58-N77 HydrophobicContact CD1-CB 4.5Å; I58-N77 HydrophobicContact CG1-CB 4.3Å; D75-N77 PolarHBondContact O-N 2.62Å; D75-N77 VanDerWaalsContact O-N 3.08Å; N77-Y80 PolarHBondContact O-N 3.45Å; N77-L81 PolarHBondContact O-N 3.24Å; N77-L81 VanDerWaalsContact O-N 3.12Å |
| 78 | L | 98.3 | Very high | 98.3 | Very high | 106 Ų | 106 | 37.3 Ų | 37.3 | 56% | 0.555 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -69.5 | -35.5 | -177.6 | -68.7 | 172.2 | 0 | 0 | 0 | 111.3 | F49 N76 Y80 L81 E82 | F49-L78 HydrophobicContact CZ-CD2 3.99Å; N76-L78 PolarHBondContact O-N 3.16Å; N76-L78 VanDerWaalsContact O-N 3.17Å; N76-L78 PolarHBondContact OD1-N 3.15Å; N76-L78 VanDerWaalsContact OD1-N 3.08Å; L78-Y80 VanDerWaalsContact C-N 3.29Å; L78-Y80 PolarHBondContact O-N 3.47Å; L78-L81 PolarHBondContact O-N 3.12Å; L78-E82 WeakPolarHBondContact O-CG 3.44Å; L78-E82 PolarHBondContact O-N 3.35Å |
| 79 | A | 98.4 | Very high | 98.3 | Very high | 38 Ų | 38 | 41.1 Ų | 41.1 | 31% | 0.314 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.3 | -41.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | N76 A83 | N76-A79 HydrophobicContact CB-CB 4.07Å; N76-A79 WeakPolarHBondContact O-CB 3.32Å; N76-A79 PolarHBondContact O-N 3.09Å; N76-A79 VanDerWaalsContact O-N 3.08Å; N76-A79 PolarHBondContact OD1-N 2.89Å; A79-A83 WeakPolarHBondContact O-CB 3.44Å; A79-A83 PolarHBondContact O-N 3.36Å |
| 80 | Y | 98.7 | Very high | 98.3 | Very high | 11 Ų | 11 | 41 Ų | 41 | 4% | 0.043 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -75.2 | -31.6 | 178.2 | -64.6 | -73.3 | 0 | 0 | 0 | 113.3 | I2 I69 V71 D75 N76 N77 L78 E82 A83 I84 I123 | I2-Y80 HydrophobicContact CD1-CD1 4.22Å; I2-Y80 HydrophobicContact CD1-CE1 3.72Å; I2-Y80 HydrophobicContact CG1-CD1 3.97Å; I2-Y80 HydrophobicContact CG1-CE1 3.29Å; I69-Y80 HydrophobicContact CD1-CD1 4.43Å; I69-Y80 HydrophobicContact CG2-CD1 4.09Å; V71-Y80 HydrophobicContact CB-CD2 4.37Å; V71-Y80 HydrophobicContact CB-CE2 4.23Å; V71-Y80 HydrophobicContact CG1-CD1 3.87Å; V71-Y80 HydrophobicContact CG1-CD2 3.79Å; V71-Y80 HydrophobicContact CG1-CE1 3.91Å; V71-Y80 HydrophobicContact CG1-CE2 3.84Å; V71-Y80 HydrophobicContact CG1-CG 3.78Å; V71-Y80 HydrophobicContact CG2-CD2 4.33Å; D75-Y80 HydrophobicContact CB-CD2 4.49Å; D75-Y80 HydrophobicContact CB-CE2 3.76Å; N76-Y80 VanDerWaalsContact O-CD2 3.25Å; N76-Y80 WeakPolarHBondContact O-CD2 3.25Å; N77-Y80 PolarHBondContact O-N 3.45Å; L78-Y80 VanDerWaalsContact C-N 3.29Å; L78-Y80 PolarHBondContact O-N 3.47Å; Y80-E82 VanDerWaalsContact C-N 3.35Å; Y80-A83 PolarHBondContact O-N 2.95Å; Y80-I84 WeakPolarHBondContact O-CG1 3.46Å; Y80-I84 PolarHBondContact O-N 3.41Å; Y80-I123 HydrophobicContact CD1-CD1 4.21Å; Y80-I123 HydrophobicContact CE1-CD1 4.13Å; Y80-I123 HydrophobicContact CE1-CG1 4.2Å |
| 81 | L | 98.8 | Very high | 98.2 | Very high | 10 Ų | 10 | 41 Ų | 41 | 5% | 0.052 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.6 | -43.2 | 174.1 | -175.6 | 59.8 | 0 | 0 | 0 | 111.1 | N48 F49 I58 R60 N77 L78 I84 H85 | N48-L81 HydrophobicContact CB-CD1 3.85Å; N48-L81 HydrophobicContact CB-CD2 4.16Å; F49-L81 HydrophobicContact CE1-CB 4.17Å; F49-L81 HydrophobicContact CE1-CD2 4.16Å; F49-L81 HydrophobicContact CZ-CD2 4.05Å; I58-L81 HydrophobicContact CG2-CB 4.01Å; I58-L81 HydrophobicContact CG2-CD1 4.46Å; R60-L81 HydrophobicContact CB-CD1 4.12Å; N77-L81 PolarHBondContact O-N 3.24Å; N77-L81 VanDerWaalsContact O-N 3.12Å; L78-L81 PolarHBondContact O-N 3.12Å; L81-I84 PolarHBondContact O-N 3.36Å; L81-H85 PolarHBondContact O-N 2.98Å; L81-H85 VanDerWaalsContact O-N 3.16Å |
| 82 | E | 98.6 | Very high | 98.2 | Very high | 100 Ų | 100 | 44.3 Ų | 44.3 | 47% | 0.467 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -70.9 | -33.8 | 174.8 | -65.1 | -49.9 | 128.1 | 0 | 0 | 111.9 | L78 Y80 I84 H85 N86 | L78-E82 WeakPolarHBondContact O-CG 3.44Å; L78-E82 PolarHBondContact O-N 3.35Å; Y80-E82 VanDerWaalsContact C-N 3.35Å; E82-I84 PolarHBondContact O-N 3.24Å; E82-H85 WeakPolarHBondContact O-CB 3.42Å; E82-H85 PolarHBondContact O-N 2.89Å; E82-H85 VanDerWaalsContact O-N 3.15Å; E82-N86 WeakPolarHBondContact O-CB 3.15Å; E82-N86 PolarHBondContact O-N 2.92Å |
| 83 | A | 98.8 | Very high | 98.2 | Very high | 10 Ų | 10 | 47.9 Ų | 47.9 | 8% | 0.083 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.4 | -39.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A79 Y80 H85 F87 F118 I123 | A79-A83 WeakPolarHBondContact O-CB 3.44Å; A79-A83 PolarHBondContact O-N 3.36Å; Y80-A83 PolarHBondContact O-N 2.95Å; A83-H85 VanDerWaalsContact C-N 3.31Å; A83-F87 VanDerWaalsContact O-CB 3.25Å; A83-F87 WeakPolarHBondContact O-CB 3.44Å; A83-F87 PolarHBondContact O-N 3.17Å; A83-F118 HydrophobicContact CB-CE1 3.86Å; A83-F118 HydrophobicContact CB-CZ 4.05Å; A83-I123 HydrophobicContact CB-CD1 3.85Å; A83-I123 HydrophobicContact CB-CG1 4.31Å |
| 84 | I | 98.9 | Very high | 98.3 | Very high | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61 | -43.5 | 171.9 | -69.4 | 165.5 | 0 | 0 | 0 | 110.3 | I58 R60 Y62 F67 I69 Y80 L81 E82 F87 V88 | I58-I84 HydrophobicContact CG2-CD1 4.13Å; I58-I84 WeakPolarHBondContact O-CD1 3.15Å; R60-I84 HydrophobicContact CB-CG2 3.98Å; Y62-I84 HydrophobicContact CE2-CG2 4.15Å; F67-I84 HydrophobicContact CB-CG2 3.61Å; F67-I84 HydrophobicContact CG-CG2 4.34Å; I69-I84 HydrophobicContact CD1-CD1 4.2Å; I69-I84 HydrophobicContact CD1-CG1 3.6Å; I69-I84 HydrophobicContact CG1-CD1 3.96Å; I69-I84 HydrophobicContact CG1-CG1 3.79Å; Y80-I84 WeakPolarHBondContact O-CG1 3.46Å; Y80-I84 PolarHBondContact O-N 3.41Å; L81-I84 PolarHBondContact O-N 3.36Å; E82-I84 PolarHBondContact O-N 3.24Å; I84-F87 PolarHBondContact O-N 3.23Å; I84-V88 WeakPolarHBondContact O-CG2 3.37Å; I84-V88 PolarHBondContact O-N 3.05Å; I84-V88 VanDerWaalsContact O-N 3.08Å |
| 85 | H | 98.8 | Very high | 98.2 | Very high | 58 Ų | 58 | 41.6 Ų | 41.6 | 27% | 0.269 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.8 | -52.9 | 179.4 | -173.2 | 63.5 | 0 | 0 | 0 | 111.8 | R60 Y62 L81 E82 A83 F87 V88 E89 | R60-H85 PolarHBondContact NH1-ND1 3.05Å; Y62-H85 WeakPolarHBondContact OH-CA 3.43Å; Y62-H85 PolarHBondContact OH-ND1 2.99Å; L81-H85 PolarHBondContact O-N 2.98Å; L81-H85 VanDerWaalsContact O-N 3.16Å; E82-H85 WeakPolarHBondContact O-CB 3.42Å; E82-H85 PolarHBondContact O-N 2.89Å; E82-H85 VanDerWaalsContact O-N 3.15Å; A83-H85 VanDerWaalsContact C-N 3.31Å; H85-F87 VanDerWaalsContact C-N 3.28Å; H85-F87 PolarHBondContact O-N 2.79Å; H85-V88 PolarHBondContact O-N 3.47Å; H85-V88 VanDerWaalsContact O-N 3.08Å; H85-E89 IonicContact CE1-OE1 2.62Å; H85-E89 IonicContact NE2-OE1 3.52Å; H85-E89 PolarHBondContact NE2-OE1 2.74Å; H85-E89 PolarHBondContact O-N 2.98Å |
| 86 | N | 98.8 | Very high | 98.2 | Very high | 24 Ų | 24 | 47.1 Ų | 47.1 | 13% | 0.128 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.7 | -40.7 | 177.8 | -168.6 | 44.6 | 0 | 0 | 0 | 111.8 | E82 V88 E89 V90 M117 T126 Q128 | E82-N86 WeakPolarHBondContact O-CB 3.15Å; E82-N86 PolarHBondContact O-N 2.92Å; N86-V88 PolarHBondContact O-N 2.93Å; N86-E89 PolarHBondContact O-N 3.43Å; N86-V90 WeakPolarHBondContact O-CG2 3.42Å; N86-V90 PolarHBondContact O-N 2.91Å; N86-M117 HydrophobicContact CB-CE 4.23Å; N86-M117 WeakPolarHBondContact ND2-CE 3.32Å; N86-T126 PolarHBondContact ND2-O 2.89Å; N86-Q128 WeakPolarHBondContact OD1-CG 3.44Å; N86-Q128 PolarHBondContact OD1-NE2 2.88Å |
| 87 | F | 98.8 | Very high | 98 | Very high | 5 Ų | 5 | 48.7 Ų | 48.7 | 2% | 0.022 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.3 | -42.8 | 176.1 | 173.8 | -118.6 | 0 | 0 | 0 | 112.3 | I7 F67 A83 I84 H85 V90 L91 V110 V113 V114 M117 F118 | I7-F87 HydrophobicContact CD1-CE1 3.9Å; I7-F87 HydrophobicContact CD1-CZ 4.46Å; F67-F87 HydrophobicContact CD1-CD1 4.11Å; F67-F87 HydrophobicContact CD1-CE1 4.08Å; F67-F87 HydrophobicContact CE1-CD1 4.19Å; F67-F87 AromaticContact CE1-CE1 3.93Å; F67-F87 HydrophobicContact CE1-CE1 3.93Å; A83-F87 VanDerWaalsContact O-CB 3.25Å; A83-F87 WeakPolarHBondContact O-CB 3.44Å; A83-F87 PolarHBondContact O-N 3.17Å; I84-F87 PolarHBondContact O-N 3.23Å; H85-F87 VanDerWaalsContact C-N 3.28Å; H85-F87 PolarHBondContact O-N 2.79Å; F87-V90 PolarHBondContact O-N 3.21Å; F87-L91 HydrophobicContact CD1-CD1 4.09Å; F87-L91 HydrophobicContact CD2-CD1 4.44Å; F87-L91 HydrophobicContact CD2-CG 4.38Å; F87-L91 HydrophobicContact CE1-CD1 3.6Å; F87-L91 HydrophobicContact CE1-CG 4.49Å; F87-L91 HydrophobicContact CE2-CD1 4Å; F87-L91 HydrophobicContact CE2-CD2 4.25Å; F87-L91 HydrophobicContact CE2-CG 4.04Å; F87-L91 HydrophobicContact CG-CD1 4.5Å; F87-L91 HydrophobicContact CZ-CD1 3.56Å; F87-L91 HydrophobicContact CZ-CD2 4.33Å; F87-L91 HydrophobicContact CZ-CG 4.1Å; F87-L91 WeakPolarHBondContact O-CG 3.34Å; F87-L91 PolarHBondContact O-N 3.4Å; F87-V110 HydrophobicContact CZ-CG1 4.15Å; F87-V113 HydrophobicContact CD2-CG1 3.96Å; F87-V113 HydrophobicContact CE2-CB 4.09Å; F87-V113 HydrophobicContact CE2-CG1 3.74Å; F87-V114 HydrophobicContact CE1-CG2 4.42Å; F87-V114 HydrophobicContact CE2-CG2 3.56Å; F87-V114 HydrophobicContact CZ-CG2 3.45Å; F87-V114 VanDerWaalsContact CZ-CG2 3.45Å; F87-M117 HydrophobicContact CB-CE 3.98Å; F87-M117 HydrophobicContact CB-SD 4.17Å; F87-M117 HydrophobicContact CD2-SD 3.75Å; F87-M117 HydrophobicContact CG-SD 4.47Å; F87-F118 HydrophobicContact CB-CE2 4.19Å; F87-F118 HydrophobicContact CB-CZ 4.4Å; F87-F118 HydrophobicContact CD2-CE2 4.22Å; F87-F118 HydrophobicContact CG-CE2 4.19Å |
| 88 | V | 98.7 | Very high | 97.9 | Very high | 18 Ų | 18 | 48.9 Ų | 48.9 | 11% | 0.109 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.6 | -36.5 | 176.7 | 174.2 | 0 | 0 | 0 | 0 | 111.7 | Y62 F67 I84 H85 N86 L91 N92 | Y62-V88 HydrophobicContact CD1-CG1 3.95Å; Y62-V88 HydrophobicContact CD2-CG1 4.45Å; Y62-V88 HydrophobicContact CD2-CG2 3.91Å; Y62-V88 HydrophobicContact CE1-CB 4.35Å; Y62-V88 HydrophobicContact CE1-CG1 3.87Å; Y62-V88 HydrophobicContact CE2-CB 4.24Å; Y62-V88 HydrophobicContact CE2-CG1 4.4Å; Y62-V88 HydrophobicContact CE2-CG2 3.71Å; Y62-V88 HydrophobicContact CG-CG1 4.22Å; Y62-V88 HydrophobicContact CG-CG2 4.44Å; F67-V88 HydrophobicContact CD1-CG2 3.89Å; F67-V88 HydrophobicContact CD2-CG2 4.37Å; F67-V88 HydrophobicContact CE1-CG2 3.64Å; F67-V88 HydrophobicContact CE2-CG2 4.16Å; F67-V88 HydrophobicContact CG-CG2 4.25Å; F67-V88 HydrophobicContact CZ-CG2 3.8Å; I84-V88 WeakPolarHBondContact O-CG2 3.37Å; I84-V88 PolarHBondContact O-N 3.05Å; I84-V88 VanDerWaalsContact O-N 3.08Å; H85-V88 PolarHBondContact O-N 3.47Å; H85-V88 VanDerWaalsContact O-N 3.08Å; N86-V88 PolarHBondContact O-N 2.93Å; V88-L91 PolarHBondContact O-N 3.12Å; V88-N92 WeakPolarHBondContact O-CB 3.49Å; V88-N92 PolarHBondContact O-N 3.27Å |
| 89 | E | 98.7 | Very high | 97.8 | Very high | 79 Ų | 79 | 46.8 Ų | 46.8 | 37% | 0.369 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.8 | -45.9 | 174.3 | -69.3 | -170.3 | 139.2 | 0 | 0 | 111.9 | H85 N86 L91 N92 E93 Q128 | H85-E89 IonicContact CE1-OE1 2.62Å; H85-E89 IonicContact NE2-OE1 3.52Å; H85-E89 PolarHBondContact NE2-OE1 2.74Å; H85-E89 PolarHBondContact O-N 2.98Å; N86-E89 PolarHBondContact O-N 3.43Å; E89-L91 VanDerWaalsContact C-N 3.33Å; E89-L91 PolarHBondContact O-N 3.08Å; E89-N92 WeakPolarHBondContact O-CB 3.36Å; E89-N92 PolarHBondContact O-N 2.94Å; E89-N92 VanDerWaalsContact O-N 3.1Å; E89-E93 PolarHBondContact O-N 2.91Å; E89-Q128 PolarHBondContact OE2-NE2 2.91Å |
| 90 | V | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.3 | -44.6 | 175.1 | 173 | 0 | 0 | 0 | 0 | 111.2 | N86 F87 N92 E93 Y94 V113 M117 Q128 V131 L132 | N86-V90 WeakPolarHBondContact O-CG2 3.42Å; N86-V90 PolarHBondContact O-N 2.91Å; F87-V90 PolarHBondContact O-N 3.21Å; V90-N92 VanDerWaalsContact C-N 3.31Å; V90-N92 PolarHBondContact O-N 3.33Å; V90-E93 PolarHBondContact O-N 2.75Å; V90-Y94 WeakPolarHBondContact O-CB 3.4Å; V90-Y94 PolarHBondContact O-N 3.46Å; V90-V113 HydrophobicContact CB-CG1 4.41Å; V90-V113 HydrophobicContact CG1-CG1 3.61Å; V90-M117 HydrophobicContact CB-SD 4.01Å; V90-M117 HydrophobicContact CG1-SD 4.2Å; V90-M117 HydrophobicContact CG2-CE 4.23Å; V90-M117 HydrophobicContact CG2-SD 3.89Å; V90-Q128 HydrophobicContact CG2-CB 3.94Å; V90-Q128 HydrophobicContact CG2-CG 3.71Å; V90-V131 HydrophobicContact CG1-CB 4.41Å; V90-V131 HydrophobicContact CG1-CG1 3.77Å; V90-L132 HydrophobicContact CG1-CD2 4.28Å; V90-L132 HydrophobicContact CG1-CG 4.49Å |
| 91 | L | 98.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.5 | -42.8 | 175.1 | -73.1 | 174.4 | 0 | 0 | 0 | 111.6 | F67 F87 V88 E89 E93 Y94 F95 V98 V110 V113 | F67-L91 HydrophobicContact CE1-CD1 4.34Å; F87-L91 HydrophobicContact CD1-CD1 4.09Å; F87-L91 HydrophobicContact CD2-CD1 4.44Å; F87-L91 HydrophobicContact CD2-CG 4.38Å; F87-L91 HydrophobicContact CE1-CD1 3.6Å; F87-L91 HydrophobicContact CE1-CG 4.49Å; F87-L91 HydrophobicContact CE2-CD1 4Å; F87-L91 HydrophobicContact CE2-CD2 4.25Å; F87-L91 HydrophobicContact CE2-CG 4.04Å; F87-L91 HydrophobicContact CG-CD1 4.5Å; F87-L91 HydrophobicContact CZ-CD1 3.56Å; F87-L91 HydrophobicContact CZ-CD2 4.33Å; F87-L91 HydrophobicContact CZ-CG 4.1Å; F87-L91 WeakPolarHBondContact O-CG 3.34Å; F87-L91 PolarHBondContact O-N 3.4Å; V88-L91 PolarHBondContact O-N 3.12Å; E89-L91 VanDerWaalsContact C-N 3.33Å; E89-L91 PolarHBondContact O-N 3.08Å; L91-E93 PolarHBondContact O-N 3.08Å; L91-Y94 PolarHBondContact O-N 2.99Å; L91-F95 HydrophobicContact CD2-CD2 4.17Å; L91-F95 HydrophobicContact CD2-CE2 3.76Å; L91-F95 WeakPolarHBondContact O-CB 3.31Å; L91-F95 WeakPolarHBondContact O-CD2 3.24Å; L91-F95 PolarHBondContact O-N 3.44Å; L91-V98 HydrophobicContact CB-CB 4.45Å; L91-V98 HydrophobicContact CB-CG1 4.23Å; L91-V98 HydrophobicContact CB-CG2 4.29Å; L91-V110 HydrophobicContact CD2-CG1 4.11Å; L91-V110 HydrophobicContact CD2-CG2 4.28Å; L91-V113 HydrophobicContact CD2-CB 4.23Å; L91-V113 HydrophobicContact CD2-CG1 4.27Å; L91-V113 HydrophobicContact CD2-CG2 4.05Å |
| 92 | N | 98.1 | Very high | 97.7 | Very high | 69 Ų | 69 | 53.4 Ų | 53.4 | 37% | 0.369 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.3 | -39 | -178.7 | -171.1 | 67.8 | 0 | 0 | 0 | 112.7 | V88 E89 V90 H96 N97 V98 | V88-N92 WeakPolarHBondContact O-CB 3.49Å; V88-N92 PolarHBondContact O-N 3.27Å; E89-N92 WeakPolarHBondContact O-CB 3.36Å; E89-N92 PolarHBondContact O-N 2.94Å; E89-N92 VanDerWaalsContact O-N 3.1Å; V90-N92 VanDerWaalsContact C-N 3.31Å; V90-N92 PolarHBondContact O-N 3.33Å; N92-H96 WeakPolarHBondContact O-CA 3.25Å; N92-H96 PolarHBondContact O-N 3.42Å; N92-H96 VanDerWaalsContact O-N 3.12Å; N92-N97 PolarHBondContact O-N 2.84Å; N92-N97 VanDerWaalsContact O-N 3.13Å; N92-N97 WeakPolarHBondContact OD1-CA 3.33Å; N92-V98 HydrophobicContact CB-CG1 4Å; N92-V98 PolarHBondContact OD1-N 3.11Å |
| 93 | E | 98 | Very high | 97.7 | Very high | 104 Ų | 104 | 49 Ų | 49 | 49% | 0.486 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -69.9 | -44.2 | 174.4 | -171.7 | 169.6 | 168.6 | 0 | 0 | 111.4 | E89 V90 L91 H96 L132 | E89-E93 PolarHBondContact O-N 2.91Å; V90-E93 PolarHBondContact O-N 2.75Å; L91-E93 PolarHBondContact O-N 3.08Å; E93-H96 PolarHBondContact O-N 2.85Å; E93-H96 PolarHBondContact O-ND1 2.85Å; E93-L132 HydrophobicContact CB-CD1 4.1Å; E93-L132 HydrophobicContact CB-CD2 4.39Å; E93-L132 HydrophobicContact CG-CD1 3.68Å; E93-L132 HydrophobicContact CG-CD2 4.37Å; E93-L132 VanDerWaalsContact OE1-CD1 3.26Å; E93-L132 WeakPolarHBondContact OE1-CD1 3.37Å; E93-L132 VanDerWaalsContact OE2-CD1 3.23Å; E93-L132 WeakPolarHBondContact OE2-CD1 3.24Å |
| 94 | Y | 97.2 | Very high | 97.6 | Very high | 31 Ų | 31 | 51 Ų | 51 | 12% | 0.122 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.7 | -37.8 | -177.6 | -176.9 | -113.4 | 0 | 0 | 0 | 113.9 | V90 L91 K109 V113 L132 L135 Q139 | V90-Y94 WeakPolarHBondContact O-CB 3.4Å; V90-Y94 PolarHBondContact O-N 3.46Å; L91-Y94 PolarHBondContact O-N 2.99Å; Y94-K109 HydrophobicContact CE1-CB 4Å; Y94-K109 HydrophobicContact CE1-CD 4.28Å; Y94-V113 HydrophobicContact CD1-CG2 4.24Å; Y94-V113 HydrophobicContact CE1-CG2 4.41Å; Y94-L132 HydrophobicContact CD2-CD2 4.21Å; Y94-L132 HydrophobicContact CG-CD2 4.45Å; Y94-L135 HydrophobicContact CD2-CB 4.19Å; Y94-L135 HydrophobicContact CD2-CD1 3.8Å; Y94-L135 HydrophobicContact CE2-CB 3.69Å; Y94-L135 HydrophobicContact CE2-CD1 3.94Å; Y94-L135 HydrophobicContact CE2-CG 4.37Å; Y94-L135 HydrophobicContact CG-CD1 4.13Å; Y94-Q139 PolarHBondContact OH-NE2 3.47Å |
| 95 | F | 96.6 | Very high | 97.6 | Very high | 33 Ų | 33 | 57.7 Ų | 57.7 | 15% | 0.145 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -96.7 | -1.7 | 179 | -70.9 | -74.1 | 0 | 0 | 0 | 114 | L91 V98 D102 N106 K109 V110 | L91-F95 HydrophobicContact CD2-CD2 4.17Å; L91-F95 HydrophobicContact CD2-CE2 3.76Å; L91-F95 WeakPolarHBondContact O-CB 3.31Å; L91-F95 WeakPolarHBondContact O-CD2 3.24Å; L91-F95 PolarHBondContact O-N 3.44Å; F95-V98 HydrophobicContact CB-CB 3.95Å; F95-V98 HydrophobicContact CB-CG2 4.13Å; F95-V98 HydrophobicContact CD2-CB 4.33Å; F95-V98 HydrophobicContact CD2-CG2 3.79Å; F95-V98 HydrophobicContact CG-CG2 4.19Å; F95-D102 HydrophobicContact CD1-CB 3.99Å; F95-D102 HydrophobicContact CE1-CB 4.19Å; F95-D102 HydrophobicContact CG-CB 4.16Å; F95-N106 HydrophobicContact CE1-CB 3.72Å; F95-N106 HydrophobicContact CZ-CB 4Å; F95-K109 HydrophobicContact CE1-CD 4.45Å; F95-K109 HydrophobicContact CZ-CB 4.12Å; F95-V110 HydrophobicContact CE2-CG2 3.89Å; F95-V110 HydrophobicContact CZ-CG2 3.9Å |
| 96 | H | 95.2 | Very high | 97.4 | Very high | 154 Ų | 154 | 56.7 Ų | 56.7 | 71% | 0.713 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 72.5 | -176.1 | -57 | -58.7 | 0 | 0 | 0 | 113.5 | N92 E93 | N92-H96 WeakPolarHBondContact O-CA 3.25Å; N92-H96 PolarHBondContact O-N 3.42Å; N92-H96 VanDerWaalsContact O-N 3.12Å; E93-H96 PolarHBondContact O-N 2.85Å; E93-H96 PolarHBondContact O-ND1 2.85Å |
| 97 | N | 93.1 | Very high | 97.3 | Very high | 133 Ų | 133 | 61 Ų | 61 | 71% | 0.711 | 31% | 0.305 | S | S | * | . | S | Bend | trans | 77.8 | 69.3 | -169.3 | -49.2 | -65 | 0 | 0 | 0 | 112.6 | N92 C99 | N92-N97 PolarHBondContact O-N 2.84Å; N92-N97 VanDerWaalsContact O-N 3.13Å; N92-N97 WeakPolarHBondContact OD1-CA 3.33Å; N97-C99 PolarHBondContact O-N 3.35Å |
| 98 | V | 96.8 | Very high | 97.1 | Very high | 36 Ų | 36 | 66 Ų | 66 | 22% | 0.218 | 32% | 0.324 | C | S | . | . | trans | -57.6 | 135.8 | -179.7 | 67.6 | 0 | 0 | 0 | 0 | 111.7 | L91 N92 F95 D102 L103 | L91-V98 HydrophobicContact CB-CB 4.45Å; L91-V98 HydrophobicContact CB-CG1 4.23Å; L91-V98 HydrophobicContact CB-CG2 4.29Å; N92-V98 HydrophobicContact CB-CG1 4Å; N92-V98 PolarHBondContact OD1-N 3.11Å; F95-V98 HydrophobicContact CB-CB 3.95Å; F95-V98 HydrophobicContact CB-CG2 4.13Å; F95-V98 HydrophobicContact CD2-CB 4.33Å; F95-V98 HydrophobicContact CD2-CG2 3.79Å; F95-V98 HydrophobicContact CG-CG2 4.19Å; V98-D102 HydrophobicContact CG2-CB 4.13Å; V98-L103 HydrophobicContact CG2-CD1 3.78Å | ||
| 99 | C | 96.7 | Very high | 97 | Very high | 62 Ų | 62 | 67.6 Ų | 67.6 | 42% | 0.419 | 33% | 0.329 | S | S | . | . | trans | -126.4 | 170.2 | 172.1 | 76.6 | 0 | 0 | 0 | 0 | 111.7 | N97 L101 D102 L103 | N97-C99 PolarHBondContact O-N 3.35Å; C99-L101 PolarHBondContact O-N 3.29Å; C99-D102 PolarHBondContact N-OD2 3.21Å; C99-D102 WeakPolarHBondContact O-CB 3.41Å; C99-D102 PolarHBondContact O-N 3.26Å; C99-D102 PolarHBondContact SG-OD2 3.45Å; C99-L103 WeakPolarHBondContact O-CD1 3.5Å | ||
| 100 | E | 97.7 | Very high | 97 | Very high | 59 Ų | 59 | 63.9 Ų | 63.9 | 28% | 0.276 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -57.4 | -32.6 | -179.5 | 179.4 | 173.5 | -178.3 | 0 | 0 | 113 | N9 R15 L65 D102 L103 V104 | N9-E100 VanDerWaalsContact CB-OE1 3.25Å; N9-E100 WeakPolarHBondContact CB-OE1 3.47Å; N9-E100 PolarHBondContact ND2-OE1 3.32Å; R15-E100 IonicContact CZ-OE1 3.36Å; R15-E100 IonicContact NE-OE1 2.79Å; R15-E100 PolarHBondContact NE-OE1 2.86Å; R15-E100 IonicContact NH2-OE1 3.92Å; R15-E100 PolarHBondContact NH2-OE1 3.46Å; L65-E100 HydrophobicContact CD1-CB 4.22Å; L65-E100 HydrophobicContact CD1-CG 4.45Å; L65-E100 HydrophobicContact CD2-CG 4.01Å; E100-D102 VanDerWaalsContact C-N 3.28Å; E100-D102 PolarHBondContact O-N 2.85Å; E100-L103 PolarHBondContact O-N 3.04Å; E100-V104 WeakPolarHBondContact O-CG2 3.31Å; E100-V104 PolarHBondContact O-N 2.95Å |
| 101 | L | 97.3 | Very high | 96.9 | Very high | 105 Ų | 105 | 67 Ų | 67 | 55% | 0.55 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.3 | -31.8 | 178.6 | -63.2 | 176.4 | 0 | 0 | 0 | 112 | C99 L103 V104 F105 | C99-L101 PolarHBondContact O-N 3.29Å; L101-L103 VanDerWaalsContact C-N 3.3Å; L101-L103 PolarHBondContact O-N 3.49Å; L101-V104 PolarHBondContact O-N 2.63Å; L101-V104 VanDerWaalsContact O-N 3.11Å; L101-F105 HydrophobicContact CB-CD2 3.99Å; L101-F105 HydrophobicContact CB-CE2 4.09Å; L101-F105 HydrophobicContact CD2-CE2 3.91Å; L101-F105 HydrophobicContact CG-CE2 4.44Å; L101-F105 VanDerWaalsContact O-CD2 3.24Å; L101-F105 WeakPolarHBondContact O-CD2 3.37Å; L101-F105 PolarHBondContact O-N 3.38Å |
| 102 | D | 97.7 | Very high | 96.9 | Very high | 35 Ų | 35 | 69.2 Ų | 69.2 | 19% | 0.187 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.4 | -38.8 | 175.7 | -60.9 | -54.4 | 0 | 0 | 0 | 111.2 | F95 V98 C99 E100 V104 N106 | F95-D102 HydrophobicContact CD1-CB 3.99Å; F95-D102 HydrophobicContact CE1-CB 4.19Å; F95-D102 HydrophobicContact CG-CB 4.16Å; V98-D102 HydrophobicContact CG2-CB 4.13Å; C99-D102 PolarHBondContact N-OD2 3.21Å; C99-D102 WeakPolarHBondContact O-CB 3.41Å; C99-D102 PolarHBondContact O-N 3.26Å; C99-D102 PolarHBondContact SG-OD2 3.45Å; E100-D102 VanDerWaalsContact C-N 3.28Å; E100-D102 PolarHBondContact O-N 2.85Å; D102-V104 PolarHBondContact O-N 3.38Å; D102-N106 CarbonylContact O-C 3.52Å; D102-N106 VanDerWaalsContact O-CA 3.3Å; D102-N106 WeakPolarHBondContact O-CA 3.49Å; D102-N106 VanDerWaalsContact O-CB 3.24Å; D102-N106 WeakPolarHBondContact O-CB 3.47Å; D102-N106 PolarHBondContact O-N 2.94Å |
| 103 | L | 98.1 | Very high | 96.9 | Very high | 6 Ų | 6 | 65.9 Ų | 65.9 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67 | -27.8 | 175.8 | -69.9 | 74.6 | 0 | 0 | 0 | 112.2 | I7 R15 L65 F67 V98 C99 E100 L101 V110 | I7-L103 HydrophobicContact CD1-CD2 4.06Å; I7-L103 HydrophobicContact CG2-CD2 3.91Å; R15-L103 HydrophobicContact CB-CB 4.14Å; R15-L103 HydrophobicContact CB-CD2 4.15Å; L65-L103 HydrophobicContact CD1-CD2 3.99Å; F67-L103 HydrophobicContact CZ-CD2 4.42Å; V98-L103 HydrophobicContact CG2-CD1 3.78Å; C99-L103 WeakPolarHBondContact O-CD1 3.5Å; E100-L103 PolarHBondContact O-N 3.04Å; L101-L103 VanDerWaalsContact C-N 3.3Å; L101-L103 PolarHBondContact O-N 3.49Å; L103-V110 HydrophobicContact CG-CG2 4.4Å |
| 104 | V | 98 | Very high | 96.9 | Very high | 52 Ų | 52 | 61 Ų | 61 | 32% | 0.315 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -81.4 | -50.8 | 178.5 | 176.4 | 0 | 0 | 0 | 0 | 111.6 | R15 E100 L101 D102 | R15-V104 VanDerWaalsContact NH1-CG2 3.25Å; E100-V104 WeakPolarHBondContact O-CG2 3.31Å; E100-V104 PolarHBondContact O-N 2.95Å; L101-V104 PolarHBondContact O-N 2.63Å; L101-V104 VanDerWaalsContact O-N 3.11Å; D102-V104 PolarHBondContact O-N 3.38Å |
| 105 | F | 97.6 | Very high | 96.9 | Very high | 146 Ų | 146 | 62.1 Ų | 62.1 | 64% | 0.64 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -87.3 | -29.1 | -172.2 | -65.8 | -62.4 | 0 | 0 | 0 | 113.2 | L101 | L101-F105 HydrophobicContact CB-CD2 3.99Å; L101-F105 HydrophobicContact CB-CE2 4.09Å; L101-F105 HydrophobicContact CD2-CE2 3.91Å; L101-F105 HydrophobicContact CG-CE2 4.44Å; L101-F105 VanDerWaalsContact O-CD2 3.24Å; L101-F105 WeakPolarHBondContact O-CD2 3.37Å; L101-F105 PolarHBondContact O-N 3.38Å |
| 106 | N | 95.9 | Very high | 97 | Very high | 37 Ų | 37 | 61.7 Ų | 61.7 | 20% | 0.198 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -110.3 | 32.9 | 179.7 | -58.1 | -71.2 | 0 | 0 | 0 | 111.8 | F95 D102 Y108 K109 V110 | F95-N106 HydrophobicContact CE1-CB 3.72Å; F95-N106 HydrophobicContact CZ-CB 4Å; D102-N106 CarbonylContact O-C 3.52Å; D102-N106 VanDerWaalsContact O-CA 3.3Å; D102-N106 WeakPolarHBondContact O-CA 3.49Å; D102-N106 VanDerWaalsContact O-CB 3.24Å; D102-N106 WeakPolarHBondContact O-CB 3.47Å; D102-N106 PolarHBondContact O-N 2.94Å; N106-Y108 PolarHBondContact O-N 3.36Å; N106-Y108 VanDerWaalsContact O-N 3.16Å; N106-K109 HydrophobicContact CB-CB 4.42Å; N106-K109 HydrophobicContact CB-CD 4.25Å; N106-K109 HydrophobicContact CB-CG 4.42Å; N106-K109 WeakPolarHBondContact O-CB 3.33Å; N106-K109 PolarHBondContact O-N 3.09Å; N106-V110 PolarHBondContact O-N 2.74Å; N106-V110 VanDerWaalsContact O-N 3.14Å |
| 107 | F | 96.2 | Very high | 97.2 | Very high | 115 Ų | 115 | 54.5 Ų | 54.5 | 50% | 0.504 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -52.2 | -42.5 | -174.8 | 70.5 | -89 | 0 | 0 | 0 | 112.2 | K109 V110 Y111 | F107-K109 VanDerWaalsContact C-N 3.31Å; F107-K109 PolarHBondContact O-N 3.38Å; F107-V110 CarbonylContact O-C 3.58Å; F107-V110 WeakPolarHBondContact O-CA 3.46Å; F107-V110 WeakPolarHBondContact O-CB 3.11Å; F107-V110 PolarHBondContact O-N 3.5Å; F107-Y111 HydrophobicContact CD2-CD2 4.46Å; F107-Y111 VanDerWaalsContact O-CD2 3.31Å; F107-Y111 WeakPolarHBondContact O-CD2 3.48Å; F107-Y111 PolarHBondContact O-N 3.44Å |
| 108 | Y | 95.1 | Very high | 97.4 | Very high | 109 Ų | 109 | 48.3 Ų | 48.3 | 43% | 0.427 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -58.3 | -41.3 | 179.6 | 61.3 | -82.4 | 0 | 0 | 0 | 112.1 | N106 Y111 T112 | N106-Y108 PolarHBondContact O-N 3.36Å; N106-Y108 VanDerWaalsContact O-N 3.16Å; Y108-Y111 PolarHBondContact O-N 3.01Å; Y108-T112 PolarHBondContact O-N 3.45Å; Y108-T112 PolarHBondContact O-OG1 2.9Å |
| 109 | K | 96 | Very high | 97.5 | Very high | 52 Ų | 52 | 51 Ų | 51 | 23% | 0.226 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66 | -40.4 | 174.6 | -57.6 | -173.6 | 177.9 | 173 | 0 | 111.7 | Y94 F95 N106 F107 Y111 T112 V113 | Y94-K109 HydrophobicContact CE1-CB 4Å; Y94-K109 HydrophobicContact CE1-CD 4.28Å; F95-K109 HydrophobicContact CE1-CD 4.45Å; F95-K109 HydrophobicContact CZ-CB 4.12Å; N106-K109 HydrophobicContact CB-CB 4.42Å; N106-K109 HydrophobicContact CB-CD 4.25Å; N106-K109 HydrophobicContact CB-CG 4.42Å; N106-K109 WeakPolarHBondContact O-CB 3.33Å; N106-K109 PolarHBondContact O-N 3.09Å; F107-K109 VanDerWaalsContact C-N 3.31Å; F107-K109 PolarHBondContact O-N 3.38Å; K109-Y111 VanDerWaalsContact C-N 3.31Å; K109-Y111 PolarHBondContact O-N 2.92Å; K109-T112 WeakPolarHBondContact O-CB 3.18Å; K109-T112 PolarHBondContact O-N 3.1Å; K109-T112 VanDerWaalsContact O-N 3.14Å; K109-V113 WeakPolarHBondContact O-CG2 3.41Å; K109-V113 PolarHBondContact O-N 3.45Å |
| 110 | V | 98.1 | Very high | 97.5 | Very high | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.012 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.7 | -40.8 | 175.2 | -177.8 | 0 | 0 | 0 | 0 | 110.8 | L16 F87 L91 F95 L103 N106 F107 T112 V113 V114 | L16-V110 HydrophobicContact CD1-CG1 3.65Å; F87-V110 HydrophobicContact CZ-CG1 4.15Å; L91-V110 HydrophobicContact CD2-CG1 4.11Å; L91-V110 HydrophobicContact CD2-CG2 4.28Å; F95-V110 HydrophobicContact CE2-CG2 3.89Å; F95-V110 HydrophobicContact CZ-CG2 3.9Å; L103-V110 HydrophobicContact CG-CG2 4.4Å; N106-V110 PolarHBondContact O-N 2.74Å; N106-V110 VanDerWaalsContact O-N 3.14Å; F107-V110 CarbonylContact O-C 3.58Å; F107-V110 WeakPolarHBondContact O-CA 3.46Å; F107-V110 WeakPolarHBondContact O-CB 3.11Å; F107-V110 PolarHBondContact O-N 3.5Å; V110-T112 VanDerWaalsContact C-N 3.33Å; V110-T112 PolarHBondContact O-N 3.23Å; V110-V113 WeakPolarHBondContact O-CB 3.44Å; V110-V113 PolarHBondContact O-N 3.43Å; V110-V114 WeakPolarHBondContact O-CG2 3.32Å; V110-V114 PolarHBondContact O-N 3.2Å |
| 111 | Y | 98.1 | Very high | 97.5 | Very high | 64 Ų | 64 | 48.9 Ų | 48.9 | 25% | 0.251 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.7 | -36.7 | 173.4 | -88.2 | -94.3 | 0 | 0 | 0 | 112.1 | L16 A17 K18 F107 Y108 K109 V114 D115 | L16-Y111 HydrophobicContact CD1-CD2 4.06Å; L16-Y111 HydrophobicContact CD1-CE2 3.96Å; L16-Y111 HydrophobicContact CD1-CG 4.44Å; L16-Y111 HydrophobicContact CG-CD2 4.5Å; L16-Y111 HydrophobicContact CG-CE1 4.44Å; L16-Y111 HydrophobicContact CG-CE2 3.91Å; A17-Y111 VanDerWaalsContact C-OH 3.29Å; A17-Y111 PolarHBondContact N-OH 2.93Å; A17-Y111 PolarHBondContact O-OH 3.12Å; K18-Y111 HydrophobicContact CB-CE1 4.43Å; K18-Y111 HydrophobicContact CD-CD1 4.19Å; K18-Y111 HydrophobicContact CD-CE1 4.04Å; F107-Y111 HydrophobicContact CD2-CD2 4.46Å; F107-Y111 VanDerWaalsContact O-CD2 3.31Å; F107-Y111 WeakPolarHBondContact O-CD2 3.48Å; F107-Y111 PolarHBondContact O-N 3.44Å; Y108-Y111 PolarHBondContact O-N 3.01Å; K109-Y111 VanDerWaalsContact C-N 3.31Å; K109-Y111 PolarHBondContact O-N 2.92Å; Y111-V114 PolarHBondContact O-N 3.13Å; Y111-D115 WeakPolarHBondContact O-CB 3.41Å; Y111-D115 PolarHBondContact O-N 3.42Å |
| 112 | T | 96.8 | Very high | 97.5 | Very high | 49 Ų | 49 | 48.3 Ų | 48.3 | 30% | 0.301 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.4 | -43.9 | 171.3 | -47.1 | 0 | 0 | 0 | 0 | 111.6 | Y108 K109 V110 V114 D115 E116 L135 L138 | Y108-T112 PolarHBondContact O-N 3.45Å; Y108-T112 PolarHBondContact O-OG1 2.9Å; K109-T112 WeakPolarHBondContact O-CB 3.18Å; K109-T112 PolarHBondContact O-N 3.1Å; K109-T112 VanDerWaalsContact O-N 3.14Å; V110-T112 VanDerWaalsContact C-N 3.33Å; V110-T112 PolarHBondContact O-N 3.23Å; T112-V114 VanDerWaalsContact C-N 3.32Å; T112-V114 PolarHBondContact O-N 3.28Å; T112-D115 PolarHBondContact O-N 3.16Å; T112-E116 PolarHBondContact O-N 3.42Å; T112-L135 HydrophobicContact CG2-CD2 3.58Å; T112-L138 HydrophobicContact CG2-CD1 3.76Å |
| 113 | V | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.5 | -43.8 | 174.8 | -172.8 | 0 | 0 | 0 | 0 | 111 | F87 V90 L91 Y94 K109 V110 D115 E116 M117 V131 L135 | F87-V113 HydrophobicContact CD2-CG1 3.96Å; F87-V113 HydrophobicContact CE2-CB 4.09Å; F87-V113 HydrophobicContact CE2-CG1 3.74Å; V90-V113 HydrophobicContact CB-CG1 4.41Å; V90-V113 HydrophobicContact CG1-CG1 3.61Å; L91-V113 HydrophobicContact CD2-CB 4.23Å; L91-V113 HydrophobicContact CD2-CG1 4.27Å; L91-V113 HydrophobicContact CD2-CG2 4.05Å; Y94-V113 HydrophobicContact CD1-CG2 4.24Å; Y94-V113 HydrophobicContact CE1-CG2 4.41Å; K109-V113 WeakPolarHBondContact O-CG2 3.41Å; K109-V113 PolarHBondContact O-N 3.45Å; V110-V113 WeakPolarHBondContact O-CB 3.44Å; V110-V113 PolarHBondContact O-N 3.43Å; V113-D115 VanDerWaalsContact C-N 3.34Å; V113-D115 PolarHBondContact O-N 2.82Å; V113-E116 PolarHBondContact O-N 3.48Å; V113-M117 HydrophobicContact CG1-SD 3.97Å; V113-M117 WeakPolarHBondContact O-CG 3.37Å; V113-M117 PolarHBondContact O-N 2.84Å; V113-M117 VanDerWaalsContact O-N 3.09Å; V113-V131 HydrophobicContact CG1-CG1 4.48Å; V113-L135 HydrophobicContact CB-CD1 4.49Å; V113-L135 HydrophobicContact CG2-CD1 3.68Å; V113-L135 HydrophobicContact CG2-CD2 4.18Å |
| 114 | V | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.2 | -45.1 | 176 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | I5 L16 K18 F87 V110 Y111 T112 E116 M117 F118 | I5-V114 HydrophobicContact CD1-CG1 4.24Å; L16-V114 HydrophobicContact CD1-CG2 3.71Å; K18-V114 HydrophobicContact CB-CG1 4.44Å; K18-V114 HydrophobicContact CD-CG1 4.49Å; K18-V114 HydrophobicContact CG-CG1 4.17Å; F87-V114 HydrophobicContact CE1-CG2 4.42Å; F87-V114 HydrophobicContact CE2-CG2 3.56Å; F87-V114 HydrophobicContact CZ-CG2 3.45Å; F87-V114 VanDerWaalsContact CZ-CG2 3.45Å; V110-V114 WeakPolarHBondContact O-CG2 3.32Å; V110-V114 PolarHBondContact O-N 3.2Å; Y111-V114 PolarHBondContact O-N 3.13Å; T112-V114 VanDerWaalsContact C-N 3.32Å; T112-V114 PolarHBondContact O-N 3.28Å; V114-E116 VanDerWaalsContact C-N 3.32Å; V114-E116 PolarHBondContact O-N 2.88Å; V114-M117 PolarHBondContact O-N 2.88Å; V114-F118 HydrophobicContact CG1-CD2 4.23Å; V114-F118 WeakPolarHBondContact O-CA 3.49Å; V114-F118 WeakPolarHBondContact O-CB 3.25Å; V114-F118 PolarHBondContact O-N 3.14Å |
| 115 | D | 97.7 | Very high | 97.5 | Very high | 55 Ų | 55 | 55 Ų | 55 | 29% | 0.294 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -72.4 | -23.7 | -176.6 | -71.4 | -16.7 | 0 | 0 | 0 | 113.4 | K18 Y111 T112 V113 R124 | K18-D115 VanDerWaalsContact CE-OD1 3.31Å; K18-D115 WeakPolarHBondContact CE-OD1 3.16Å; K18-D115 IonicContact NZ-OD1 2.89Å; K18-D115 PolarHBondContact NZ-OD1 3.14Å; K18-D115 IonicContact NZ-OD2 2.66Å; K18-D115 PolarHBondContact NZ-OD2 2.97Å; Y111-D115 WeakPolarHBondContact O-CB 3.41Å; Y111-D115 PolarHBondContact O-N 3.42Å; T112-D115 PolarHBondContact O-N 3.16Å; V113-D115 VanDerWaalsContact C-N 3.34Å; V113-D115 PolarHBondContact O-N 2.82Å; D115-R124 PolarHBondContact O-NH1 3.02Å; D115-R124 VanDerWaalsContact O-NH1 3.08Å |
| 116 | E | 97.9 | Very high | 97.5 | Very high | 24 Ų | 24 | 52.3 Ų | 52.3 | 11% | 0.112 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -75.3 | -35.9 | 169 | -68.3 | -54.4 | 161.5 | 0 | 0 | 112.7 | T112 V113 V114 R124 V131 Q134 L135 | T112-E116 PolarHBondContact O-N 3.42Å; V113-E116 PolarHBondContact O-N 3.48Å; V114-E116 VanDerWaalsContact C-N 3.32Å; V114-E116 PolarHBondContact O-N 2.88Å; E116-R124 WeakPolarHBondContact O-CD 3.3Å; E116-R124 IonicContact OE2-CZ 3.42Å; E116-R124 IonicContact OE2-NH1 3.11Å; E116-R124 PolarHBondContact OE2-NH1 3.08Å; E116-R124 IonicContact OE2-NH2 3.43Å; E116-R124 PolarHBondContact OE2-NH2 2.99Å; E116-V131 HydrophobicContact CB-CG1 4.03Å; E116-Q134 HydrophobicContact CG-CG 4.17Å; E116-Q134 WeakPolarHBondContact OE1-CG 3.47Å; E116-L135 HydrophobicContact CG-CD2 4.26Å |
| 117 | M | 98.6 | Very high | 97.6 | Very high | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.015 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -90.7 | -26.7 | -176.2 | -66.1 | -173.1 | 67.5 | 0 | 0 | 114.2 | N86 F87 V90 V113 V114 R124 V131 | N86-M117 HydrophobicContact CB-CE 4.23Å; N86-M117 WeakPolarHBondContact ND2-CE 3.32Å; F87-M117 HydrophobicContact CB-CE 3.98Å; F87-M117 HydrophobicContact CB-SD 4.17Å; F87-M117 HydrophobicContact CD2-SD 3.75Å; F87-M117 HydrophobicContact CG-SD 4.47Å; V90-M117 HydrophobicContact CB-SD 4.01Å; V90-M117 HydrophobicContact CG1-SD 4.2Å; V90-M117 HydrophobicContact CG2-CE 4.23Å; V90-M117 HydrophobicContact CG2-SD 3.89Å; V113-M117 HydrophobicContact CG1-SD 3.97Å; V113-M117 WeakPolarHBondContact O-CG 3.37Å; V113-M117 PolarHBondContact O-N 2.84Å; V113-M117 VanDerWaalsContact O-N 3.09Å; V114-M117 PolarHBondContact O-N 2.88Å; M117-R124 PolarHBondContact O-N 3.03Å; M117-V131 HydrophobicContact CG-CG1 4.13Å; M117-V131 HydrophobicContact CG-CG2 3.9Å |
| 118 | F | 98.7 | Very high | 97.8 | Very high | 3 Ų | 3 | 49.5 Ų | 49.5 | 1% | 0.013 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 121.7 | -173.2 | -54.4 | -81.5 | 0 | 0 | 0 | 110.5 | I2 I5 Y20 I69 A83 F87 V114 E122 I123 | I2-F118 HydrophobicContact CD1-CD1 3.65Å; I2-F118 HydrophobicContact CD1-CE1 4.24Å; I2-F118 HydrophobicContact CD1-CG 4.49Å; I5-F118 HydrophobicContact CD1-CB 4.22Å; I5-F118 HydrophobicContact CD1-CD1 4.31Å; I5-F118 HydrophobicContact CD1-CD2 3.86Å; I5-F118 HydrophobicContact CD1-CE2 4.27Å; I5-F118 HydrophobicContact CD1-CG 3.88Å; Y20-F118 WeakPolarHBondContact OH-CB 3.29Å; Y20-F118 PolarHBondContact OH-O 2.97Å; I69-F118 HydrophobicContact CD1-CE1 4.17Å; I69-F118 HydrophobicContact CD1-CZ 4.26Å; A83-F118 HydrophobicContact CB-CE1 3.86Å; A83-F118 HydrophobicContact CB-CZ 4.05Å; F87-F118 HydrophobicContact CB-CE2 4.19Å; F87-F118 HydrophobicContact CB-CZ 4.4Å; F87-F118 HydrophobicContact CD2-CE2 4.22Å; F87-F118 HydrophobicContact CG-CE2 4.19Å; V114-F118 HydrophobicContact CG1-CD2 4.23Å; V114-F118 WeakPolarHBondContact O-CA 3.49Å; V114-F118 WeakPolarHBondContact O-CB 3.25Å; V114-F118 PolarHBondContact O-N 3.14Å; F118-E122 CarbonylContact C-O 3.57Å; F118-E122 VanDerWaalsContact CA-O 3.32Å; F118-E122 WeakPolarHBondContact CA-O 3.34Å; F118-I123 HydrophobicContact CD1-CG1 4.26Å; F118-I123 HydrophobicContact CE1-CG1 4.16Å |
| 119 | L | 97.7 | Very high | 97.9 | Very high | 92 Ų | 92 | 49.6 Ų | 49.6 | 48% | 0.482 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 137.7 | -177.2 | -176 | 65.5 | 0 | 0 | 0 | 110.6 | G121 E122 R124 | L119-G121 PolarHBondContact O-N 3.23Å; L119-G121 VanDerWaalsContact O-N 3.12Å; L119-E122 PolarHBondContact N-O 2.99Å; L119-E122 PolarHBondContact O-N 2.87Å; L119-R124 HydrophobicContact CB-CB 4.17Å; L119-R124 HydrophobicContact CB-CG 4.43Å |
| 120 | A | 96.9 | Very high | 98 | Very high | 78 Ų | 78 | 53.1 Ų | 53.1 | 65% | 0.645 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 34.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | E122 | A120-E122 VanDerWaalsContact C-N 3.31Š|
| 121 | G | 97.6 | Very high | 98 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | 9.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | M1 I2 L119 | M1-G121 WeakPolarHBondContact CG-O 3.41Å; I2-G121 WeakPolarHBondContact CA-O 3.2Å; I2-G121 VanDerWaalsContact CB-O 3.25Å; I2-G121 WeakPolarHBondContact CB-O 3.29Å; I2-G121 VanDerWaalsContact CG1-O 3.31Å; I2-G121 WeakPolarHBondContact CG1-O 3.32Å; I2-G121 PolarHBondContact N-O 3.39Å; L119-G121 PolarHBondContact O-N 3.23Å; L119-G121 VanDerWaalsContact O-N 3.12Å |
| 122 | E | 98 | Very high | 98 | Very high | 92 Ų | 92 | 50.7 Ų | 50.7 | 43% | 0.43 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 157 | -178.2 | -63.4 | -59.9 | 151.8 | 0 | 0 | 111.5 | M1 F118 L119 A120 R124 | M1-E122 WeakPolarHBondContact CA-OE1 3.32Å; M1-E122 WeakPolarHBondContact CB-OE1 3.47Å; F118-E122 CarbonylContact C-O 3.57Å; F118-E122 VanDerWaalsContact CA-O 3.32Å; F118-E122 WeakPolarHBondContact CA-O 3.34Å; L119-E122 PolarHBondContact N-O 2.99Å; L119-E122 PolarHBondContact O-N 2.87Å; A120-E122 VanDerWaalsContact C-N 3.31Å; E122-R124 PolarHBondContact O-N 3Å |
| 123 | I | 98.4 | Very high | 98 | Very high | 57 Ų | 57 | 56 Ų | 56 | 29% | 0.292 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 126.6 | 171.5 | -60.5 | 169.5 | 0 | 0 | 0 | 108 | Y80 A83 F118 T126 | Y80-I123 HydrophobicContact CD1-CD1 4.21Å; Y80-I123 HydrophobicContact CE1-CD1 4.13Å; Y80-I123 HydrophobicContact CE1-CG1 4.2Å; A83-I123 HydrophobicContact CB-CD1 3.85Å; A83-I123 HydrophobicContact CB-CG1 4.31Å; F118-I123 HydrophobicContact CD1-CG1 4.26Å; F118-I123 HydrophobicContact CE1-CG1 4.16Å; I123-T126 HydrophobicContact CG2-CG2 3.6Å |
| 124 | R | 97.1 | Very high | 97.9 | Very high | 131 Ų | 131 | 59.1 Ų | 59.1 | 49% | 0.494 | 30% | 0.304 | S | S | . | . | trans | -101.5 | -80.4 | -175.4 | -179.8 | -179.2 | 174.4 | -145.7 | -10.4 | 111.9 | D115 E116 M117 L119 E122 | D115-R124 PolarHBondContact O-NH1 3.02Å; D115-R124 VanDerWaalsContact O-NH1 3.08Å; E116-R124 WeakPolarHBondContact O-CD 3.3Å; E116-R124 IonicContact OE2-CZ 3.42Å; E116-R124 IonicContact OE2-NH1 3.11Å; E116-R124 PolarHBondContact OE2-NH1 3.08Å; E116-R124 IonicContact OE2-NH2 3.43Å; E116-R124 PolarHBondContact OE2-NH2 2.99Å; M117-R124 PolarHBondContact O-N 3.03Å; L119-R124 HydrophobicContact CB-CB 4.17Å; L119-R124 HydrophobicContact CB-CG 4.43Å; E122-R124 PolarHBondContact O-N 3Å | ||
| 125 | E | 98.4 | Very high | 97.7 | Very high | 47 Ų | 47 | 59.2 Ų | 59.2 | 22% | 0.22 | 30% | 0.304 | C | S | . | . | trans | -109.7 | 128 | -178.9 | -178.2 | 57.6 | -100.1 | 0 | 0 | 110 | S127 K130 V131 | E125-S127 VanDerWaalsContact OE1-CB 3.24Å; E125-S127 WeakPolarHBondContact OE1-CB 3.45Å; E125-S127 PolarHBondContact OE1-N 3.32Å; E125-K130 HydrophobicContact CG-CB 4.03Å; E125-K130 WeakPolarHBondContact OE2-CD 3.47Å; E125-K130 IonicContact OE2-NZ 3.54Å; E125-V131 HydrophobicContact CB-CG2 4.04Å; E125-V131 HydrophobicContact CG-CG2 3.64Å | ||
| 126 | T | 98.2 | Very high | 97.5 | Very high | 88 Ų | 88 | 61.6 Ų | 61.6 | 54% | 0.54 | 32% | 0.317 | S | S | . | . | trans | -108.4 | -16.1 | -177.9 | 54.2 | 0 | 0 | 0 | 0 | 112.5 | N86 I123 Q128 | N86-T126 PolarHBondContact ND2-O 2.89Å; I123-T126 HydrophobicContact CG2-CG2 3.6Å; T126-Q128 PolarHBondContact O-N 3.45Å | ||
| 127 | S | 98.5 | Very high | 97.3 | Very high | 44 Ų | 44 | 64.2 Ų | 64.2 | 31% | 0.308 | 33% | 0.33 | S | S | . | . | trans | -76 | 110.6 | 176.3 | 178.8 | 0 | 0 | 0 | 0 | 111.1 | E125 T129 K130 V131 | E125-S127 VanDerWaalsContact OE1-CB 3.24Å; E125-S127 WeakPolarHBondContact OE1-CB 3.45Å; E125-S127 PolarHBondContact OE1-N 3.32Å; S127-T129 VanDerWaalsContact C-N 3.26Å; S127-T129 PolarHBondContact O-N 2.89Å; S127-K130 PolarHBondContact O-N 3.11Å; S127-V131 WeakPolarHBondContact O-CG2 3.26Å; S127-V131 PolarHBondContact O-N 3.43Å | ||
| 128 | Q | 98.3 | Very high | 97 | Very high | 50 Ų | 50 | 66.7 Ų | 66.7 | 23% | 0.234 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -52.3 | -45.6 | 176.8 | -55.9 | -175.9 | 11.2 | 0 | 0 | 111.5 | N86 E89 V90 T126 K130 V131 L132 | N86-Q128 WeakPolarHBondContact OD1-CG 3.44Å; N86-Q128 PolarHBondContact OD1-NE2 2.88Å; E89-Q128 PolarHBondContact OE2-NE2 2.91Å; V90-Q128 HydrophobicContact CG2-CB 3.94Å; V90-Q128 HydrophobicContact CG2-CG 3.71Å; T126-Q128 PolarHBondContact O-N 3.45Å; Q128-K130 VanDerWaalsContact C-N 3.34Å; Q128-K130 PolarHBondContact O-N 3.39Å; Q128-V131 PolarHBondContact O-N 3.26Å; Q128-L132 WeakPolarHBondContact O-CB 3.43Å; Q128-L132 WeakPolarHBondContact O-CD1 3.05Å; Q128-L132 VanDerWaalsContact O-CG 3.25Å; Q128-L132 WeakPolarHBondContact O-CG 3.24Å; Q128-L132 PolarHBondContact O-N 3.26Å |
| 129 | T | 98.1 | Very high | 96.4 | Very high | 110 Ų | 110 | 69.6 Ų | 69.6 | 68% | 0.675 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -58.1 | -42.1 | 178 | -48.8 | 0 | 0 | 0 | 0 | 113 | S127 K133 | S127-T129 VanDerWaalsContact C-N 3.26Å; S127-T129 PolarHBondContact O-N 2.89Å; T129-K133 VanDerWaalsContact O-CB 3.25Å; T129-K133 WeakPolarHBondContact O-CB 3.38Å; T129-K133 PolarHBondContact O-N 3.37Å |
| 130 | K | 98.3 | Very high | 96 | Very high | 126 Ų | 126 | 69.4 Ų | 69.4 | 55% | 0.548 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -70.5 | -43.1 | 178.7 | -72.1 | -178.3 | 179.8 | 175.5 | 0 | 111.6 | E125 S127 Q128 K133 Q134 | E125-K130 HydrophobicContact CG-CB 4.03Å; E125-K130 WeakPolarHBondContact OE2-CD 3.47Å; E125-K130 IonicContact OE2-NZ 3.54Å; S127-K130 PolarHBondContact O-N 3.11Å; Q128-K130 VanDerWaalsContact C-N 3.34Å; Q128-K130 PolarHBondContact O-N 3.39Å; K130-K133 PolarHBondContact O-N 2.95Å; K130-Q134 WeakPolarHBondContact O-CB 3.41Å; K130-Q134 PolarHBondContact O-N 3.26Å |
| 131 | V | 98.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 72 Ų | 72 | 1% | 0.006 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.1 | -52.6 | 176.7 | 178.1 | 0 | 0 | 0 | 0 | 109.9 | V90 V113 E116 M117 E125 S127 Q128 K133 Q134 L135 | V90-V131 HydrophobicContact CG1-CB 4.41Å; V90-V131 HydrophobicContact CG1-CG1 3.77Å; V113-V131 HydrophobicContact CG1-CG1 4.48Å; E116-V131 HydrophobicContact CB-CG1 4.03Å; M117-V131 HydrophobicContact CG-CG1 4.13Å; M117-V131 HydrophobicContact CG-CG2 3.9Å; E125-V131 HydrophobicContact CB-CG2 4.04Å; E125-V131 HydrophobicContact CG-CG2 3.64Å; S127-V131 WeakPolarHBondContact O-CG2 3.26Å; S127-V131 PolarHBondContact O-N 3.43Å; Q128-V131 PolarHBondContact O-N 3.26Å; V131-K133 PolarHBondContact O-N 3.04Å; V131-Q134 WeakPolarHBondContact O-CB 3.23Å; V131-Q134 PolarHBondContact O-N 3.34Å; V131-Q134 VanDerWaalsContact O-N 3.11Å; V131-L135 HydrophobicContact CG1-CD1 3.92Å; V131-L135 HydrophobicContact CG1-CG 4.26Å; V131-L135 VanDerWaalsContact O-CG 3.29Å; V131-L135 WeakPolarHBondContact O-CG 3.32Å; V131-L135 PolarHBondContact O-N 3.05Å |
| 132 | L | 97.8 | Very high | 94.3 | Very high | 15 Ų | 15 | 81.5 Ų | 81.5 | 8% | 0.079 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -60.9 | -42.8 | -179.6 | -68.5 | 163.4 | 0 | 0 | 0 | 112.5 | V90 E93 Y94 Q128 Q134 L135 L136 | V90-L132 HydrophobicContact CG1-CD2 4.28Å; V90-L132 HydrophobicContact CG1-CG 4.49Å; E93-L132 HydrophobicContact CB-CD1 4.1Å; E93-L132 HydrophobicContact CB-CD2 4.39Å; E93-L132 HydrophobicContact CG-CD1 3.68Å; E93-L132 HydrophobicContact CG-CD2 4.37Å; E93-L132 VanDerWaalsContact OE1-CD1 3.26Å; E93-L132 WeakPolarHBondContact OE1-CD1 3.37Å; E93-L132 VanDerWaalsContact OE2-CD1 3.23Å; E93-L132 WeakPolarHBondContact OE2-CD1 3.24Å; Y94-L132 HydrophobicContact CD2-CD2 4.21Å; Y94-L132 HydrophobicContact CG-CD2 4.45Å; Q128-L132 WeakPolarHBondContact O-CB 3.43Å; Q128-L132 WeakPolarHBondContact O-CD1 3.05Å; Q128-L132 VanDerWaalsContact O-CG 3.25Å; Q128-L132 WeakPolarHBondContact O-CG 3.24Å; Q128-L132 PolarHBondContact O-N 3.26Å; L132-Q134 VanDerWaalsContact C-N 3.29Å; L132-Q134 PolarHBondContact O-N 2.75Å; L132-L135 PolarHBondContact O-N 3.04Å; L132-L136 VanDerWaalsContact O-CG 3.32Å; L132-L136 WeakPolarHBondContact O-CG 3.4Å; L132-L136 PolarHBondContact O-N 3.06Å |
| 133 | K | 97 | Very high | 94.1 | Very high | 160 Ų | 160 | 81 Ų | 81 | 70% | 0.696 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -59.6 | -41.9 | 175.2 | -176.1 | 179.6 | 179.4 | -178.4 | 0 | 111.7 | T129 K130 V131 M137 | T129-K133 VanDerWaalsContact O-CB 3.25Å; T129-K133 WeakPolarHBondContact O-CB 3.38Å; T129-K133 PolarHBondContact O-N 3.37Å; K130-K133 PolarHBondContact O-N 2.95Å; V131-K133 PolarHBondContact O-N 3.04Å; K133-M137 WeakPolarHBondContact O-CB 3.38Å; K133-M137 PolarHBondContact O-N 3.47Å |
| 134 | Q | 96.1 | Very high | 93.8 | Very high | 66 Ų | 66 | 82.2 Ų | 82.2 | 31% | 0.308 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.2 | -43.1 | 177.4 | -178.2 | 61.7 | 17.1 | 0 | 0 | 111.4 | E116 K130 V131 L132 L136 M137 L138 | E116-Q134 HydrophobicContact CG-CG 4.17Å; E116-Q134 WeakPolarHBondContact OE1-CG 3.47Å; K130-Q134 WeakPolarHBondContact O-CB 3.41Å; K130-Q134 PolarHBondContact O-N 3.26Å; V131-Q134 WeakPolarHBondContact O-CB 3.23Å; V131-Q134 PolarHBondContact O-N 3.34Å; V131-Q134 VanDerWaalsContact O-N 3.11Å; L132-Q134 VanDerWaalsContact C-N 3.29Å; L132-Q134 PolarHBondContact O-N 2.75Å; Q134-L136 PolarHBondContact O-N 3.43Å; Q134-M137 VanDerWaalsContact NE2-CE 3.26Å; Q134-M137 PolarHBondContact O-N 3.4Å; Q134-M137 VanDerWaalsContact OE1-CE 3.29Å; Q134-L138 HydrophobicContact CG-CD1 4.39Å; Q134-L138 WeakPolarHBondContact O-CG 3.46Å; Q134-L138 PolarHBondContact O-N 3.42Å |
| 135 | L | 95.2 | Very high | 93.7 | Very high | 1 Ų | 1 | 79.5 Ų | 79.5 | 1% | 0.005 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 177 | -66.1 | 172.1 | 0 | 0 | 0 | 112.2 | Y94 T112 V113 E116 V131 L132 M137 L138 Q139 | Y94-L135 HydrophobicContact CD2-CB 4.19Å; Y94-L135 HydrophobicContact CD2-CD1 3.8Å; Y94-L135 HydrophobicContact CE2-CB 3.69Å; Y94-L135 HydrophobicContact CE2-CD1 3.94Å; Y94-L135 HydrophobicContact CE2-CG 4.37Å; Y94-L135 HydrophobicContact CG-CD1 4.13Å; T112-L135 HydrophobicContact CG2-CD2 3.58Å; V113-L135 HydrophobicContact CB-CD1 4.49Å; V113-L135 HydrophobicContact CG2-CD1 3.68Å; V113-L135 HydrophobicContact CG2-CD2 4.18Å; E116-L135 HydrophobicContact CG-CD2 4.26Å; V131-L135 HydrophobicContact CG1-CD1 3.92Å; V131-L135 HydrophobicContact CG1-CG 4.26Å; V131-L135 VanDerWaalsContact O-CG 3.29Å; V131-L135 WeakPolarHBondContact O-CG 3.32Å; V131-L135 PolarHBondContact O-N 3.05Å; L132-L135 PolarHBondContact O-N 3.04Å; L135-M137 VanDerWaalsContact C-N 3.33Å; L135-L138 PolarHBondContact O-N 3.22Å; L135-Q139 WeakPolarHBondContact O-CG 3.25Å; L135-Q139 PolarHBondContact O-N 2.98Å |
| 136 | L | 92.8 | Very high | 93.4 | Very high | 106 Ų | 106 | 81.4 Ų | 81.4 | 56% | 0.555 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -65.1 | -37.9 | 176.2 | -69.2 | 172.8 | 0 | 0 | 0 | 112 | L132 Q134 Q139 S140 | L132-L136 VanDerWaalsContact O-CG 3.32Å; L132-L136 WeakPolarHBondContact O-CG 3.4Å; L132-L136 PolarHBondContact O-N 3.06Å; Q134-L136 PolarHBondContact O-N 3.43Å; L136-Q139 PolarHBondContact O-N 3.2Å; L136-S140 PolarHBondContact O-N 3.41Å |
| 137 | M | 94.4 | Very high | 93.1 | Very high | 79 Ų | 79 | 81 Ų | 81 | 39% | 0.389 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.3 | -45.7 | 175.3 | -175.1 | -82 | -67.5 | 0 | 0 | 111.1 | K133 Q134 L135 Q139 S140 L141 | K133-M137 WeakPolarHBondContact O-CB 3.38Å; K133-M137 PolarHBondContact O-N 3.47Å; Q134-M137 VanDerWaalsContact NE2-CE 3.26Å; Q134-M137 PolarHBondContact O-N 3.4Å; Q134-M137 VanDerWaalsContact OE1-CE 3.29Å; L135-M137 VanDerWaalsContact C-N 3.33Å; M137-Q139 VanDerWaalsContact C-N 3.33Å; M137-Q139 PolarHBondContact O-N 3.31Å; M137-S140 PolarHBondContact O-N 3.13Å; M137-S140 VanDerWaalsContact O-N 3.08Å; M137-S140 PolarHBondContact O-OG 3.03Å; M137-L141 HydrophobicContact SD-CD1 3.87Å; M137-L141 HydrophobicContact SD-CG 4.35Å |
| 138 | L | 91.1 | Very high | 92.7 | Very high | 55 Ų | 55 | 83.5 Ų | 83.5 | 29% | 0.288 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.4 | -41.5 | 177.2 | -70.6 | 172.4 | 0 | 0 | 0 | 112 | T112 Q134 L135 S140 L141 | T112-L138 HydrophobicContact CG2-CD1 3.76Å; Q134-L138 HydrophobicContact CG-CD1 4.39Å; Q134-L138 WeakPolarHBondContact O-CG 3.46Å; Q134-L138 PolarHBondContact O-N 3.42Å; L135-L138 PolarHBondContact O-N 3.22Å; L138-S140 PolarHBondContact O-N 2.93Å; L138-L141 WeakPolarHBondContact O-CB 3.46Å; L138-L141 PolarHBondContact O-N 3.39Å; L138-L141 VanDerWaalsContact O-N 3.13Å |
| 139 | Q | 86.1 | Confident | 92.3 | Very high | 63 Ų | 63 | 85.9 Ų | 85.9 | 29% | 0.294 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.6 | -29 | 175.5 | -75.1 | 178.7 | -26.9 | 0 | 0 | 113.6 | Y94 L135 L136 M137 L141 E142 | Y94-Q139 PolarHBondContact OH-NE2 3.47Å; L135-Q139 WeakPolarHBondContact O-CG 3.25Å; L135-Q139 PolarHBondContact O-N 2.98Å; L136-Q139 PolarHBondContact O-N 3.2Å; M137-Q139 VanDerWaalsContact C-N 3.33Å; M137-Q139 PolarHBondContact O-N 3.31Å; Q139-L141 PolarHBondContact O-N 3.08Å; Q139-E142 PolarHBondContact O-N 2.66Å |
| 140 | S | 89.8 | Confident | 91.9 | Very high | 89 Ų | 89 | 84 Ų | 84 | 62% | 0.622 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -9.9 | 178.1 | 75 | 0 | 0 | 0 | 0 | 113.9 | L136 M137 L138 | L136-S140 PolarHBondContact O-N 3.41Å; M137-S140 PolarHBondContact O-N 3.13Å; M137-S140 VanDerWaalsContact O-N 3.08Å; M137-S140 PolarHBondContact O-OG 3.03Å; L138-S140 PolarHBondContact O-N 2.93Å |
| 141 | L | 85.2 | Confident | 91.4 | Very high | 131 Ų | 131 | 80.5 Ų | 80.5 | 69% | 0.686 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -12 | 176.2 | -60.1 | 175.8 | 0 | 0 | 0 | 112.6 | M137 L138 Q139 | M137-L141 HydrophobicContact SD-CD1 3.87Å; M137-L141 HydrophobicContact SD-CG 4.35Å; L138-L141 WeakPolarHBondContact O-CB 3.46Å; L138-L141 PolarHBondContact O-N 3.39Å; L138-L141 VanDerWaalsContact O-N 3.13Å; Q139-L141 PolarHBondContact O-N 3.08Å |
| 142 | E | 72.5 | Confident | 90.7 | Very high | 200 Ų | 200 | 87.7 Ų | 87.7 | 94% | 0.935 | 44% | 0.442 | S | S | * | . | trans | -84.5 | 0 | 174.7 | -62.4 | -178.4 | 169.8 | 0 | 0 | 111.1 | Q139 | Q139-E142 PolarHBondContact O-N 2.66Š|
Retrieved 142 of 142 residues in 35 ms
(Link to these results)