| 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 | 95.7 | Very high | 97.7 | Very high | 95 Ų | 95 | 53.7 Ų | 53.7 | 47% | 0.468 | 29% | 0.291 | S | S | . | . | 0 | 141.1 | 0 | -61.2 | 177.5 | -91.2 | 0 | 0 | 109.5 | L52 D53 Y56 W77 | M1-L52 HydrophobicContact CE-CD2 3.68Å; M1-L52 HydrophobicContact CE-CG 3.86Å; M1-L52 HydrophobicContact SD-CD1 4.3Å; M1-L52 HydrophobicContact SD-CD2 3.85Å; M1-L52 HydrophobicContact SD-CG 3.58Å; M1-L52 VanDerWaalsContact SD-CG 3.58Å; M1-D53 WeakPolarHBondContact CE-OD1 3.46Å; M1-Y56 HydrophobicContact CB-CD1 4.34Å; M1-Y56 HydrophobicContact CB-CD2 3.71Å; M1-Y56 HydrophobicContact CB-CE1 4.35Å; M1-Y56 HydrophobicContact CB-CE2 3.68Å; M1-Y56 HydrophobicContact CB-CG 4.04Å; M1-Y56 HydrophobicContact CG-CD1 3.85Å; M1-Y56 HydrophobicContact CG-CD2 3.63Å; M1-Y56 HydrophobicContact CG-CE1 4.33Å; M1-Y56 HydrophobicContact CG-CE2 4.1Å; M1-Y56 HydrophobicContact CG-CG 3.49Å; M1-Y56 VanDerWaalsContact CG-CG 3.49Å; M1-Y56 HydrophobicContact SD-CD2 3.99Å; M1-Y56 HydrophobicContact SD-CG 4Å; M1-W77 HydrophobicContact CB-CH2 3.8Å; M1-W77 HydrophobicContact CB-CZ2 3.46Å; M1-W77 VanDerWaalsContact CB-CZ2 3.46Å; M1-W77 HydrophobicContact SD-CD2 4.35Å; M1-W77 HydrophobicContact SD-CZ2 4.3Å | |||
| 2 | N | 95.2 | Very high | 97.7 | Very high | 68 Ų | 68 | 50 Ų | 50 | 36% | 0.364 | 27% | 0.27 | S | S | . | . | trans | -127.7 | 132.7 | -176.7 | -176 | -10.2 | 0 | 0 | 0 | 109.6 | E4 E5 Y6 Y56 | N2-E4 VanDerWaalsContact C-N 3.3Å; N2-E4 WeakPolarHBondContact OD1-CB 3.26Å; N2-E4 PolarHBondContact OD1-N 3.07Å; N2-E5 HydrophobicContact CB-CB 4.37Å; N2-E5 HydrophobicContact CB-CG 4.13Å; N2-Y6 PolarHBondContact O-N 2.71Å; N2-Y56 PolarHBondContact N-OH 3.41Å; N2-Y56 PolarHBondContact O-OH 2.77Å | ||
| 3 | L | 96.9 | Very high | 97.7 | Very high | 34 Ų | 34 | 57.9 Ų | 57.9 | 18% | 0.178 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65 | -35.1 | 175.9 | -81.1 | 179.2 | 0 | 0 | 0 | 112.3 | Y6 F7 W77 V78 R81 L82 | L3-Y6 WeakPolarHBondContact O-CB 3.42Å; L3-Y6 PolarHBondContact O-N 2.99Å; L3-Y6 VanDerWaalsContact O-N 3.15Å; L3-F7 HydrophobicContact CB-CD2 4.3Å; L3-F7 HydrophobicContact CB-CE2 4Å; L3-F7 HydrophobicContact CD2-CE2 4.33Å; L3-F7 WeakPolarHBondContact O-CD2 3.36Å; L3-F7 PolarHBondContact O-N 2.93Å; L3-W77 HydrophobicContact CD2-CH2 4.05Å; L3-W77 HydrophobicContact CD2-CZ3 4.1Å; L3-W77 HydrophobicContact CG-CH2 4.39Å; L3-V78 HydrophobicContact CD2-CB 4.31Å; L3-V78 HydrophobicContact CD2-CG1 3.97Å; L3-V78 HydrophobicContact CD2-CG2 4.2Å; L3-R81 HydrophobicContact CD1-CB 4.09Å; L3-R81 HydrophobicContact CD1-CG 3.51Å; L3-R81 HydrophobicContact CD2-CB 4.19Å; L3-R81 HydrophobicContact CD2-CG 4.19Å; L3-R81 HydrophobicContact CG-CB 4.34Å; L3-R81 HydrophobicContact CG-CG 3.8Å; L3-L82 HydrophobicContact CD1-CD2 3.91Å; L3-L82 HydrophobicContact CD1-CG 4.45Å |
| 4 | E | 97.4 | Very high | 97.5 | Very high | 134 Ų | 134 | 56.4 Ų | 56.4 | 63% | 0.626 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -62.1 | -46.3 | 179.8 | -172.5 | -178.9 | -173 | 0 | 0 | 111.4 | N2 Y6 F7 V8 | N2-E4 VanDerWaalsContact C-N 3.3Å; N2-E4 WeakPolarHBondContact OD1-CB 3.26Å; N2-E4 PolarHBondContact OD1-N 3.07Å; E4-Y6 VanDerWaalsContact C-N 3.26Å; E4-Y6 PolarHBondContact O-N 3.43Å; E4-F7 PolarHBondContact O-N 3.22Å; E4-V8 WeakPolarHBondContact O-CG2 3.33Å; E4-V8 PolarHBondContact O-N 2.82Å |
| 5 | E | 98.4 | Very high | 97.2 | Very high | 64 Ų | 64 | 57.1 Ų | 57.1 | 30% | 0.299 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.9 | -38.7 | 174.3 | -73 | -179.5 | -157.5 | 0 | 0 | 111.5 | N2 R9 Y56 V60 R61 | N2-E5 HydrophobicContact CB-CB 4.37Å; N2-E5 HydrophobicContact CB-CG 4.13Å; E5-R9 WeakPolarHBondContact O-CB 3.46Å; E5-R9 PolarHBondContact O-N 2.7Å; E5-Y56 WeakPolarHBondContact CB-OH 3.41Å; E5-Y56 VanDerWaalsContact CD-OH 3.23Å; E5-Y56 WeakPolarHBondContact OE2-CE1 3.12Å; E5-Y56 PolarHBondContact OE2-OH 3.2Å; E5-V60 HydrophobicContact CB-CG1 3.79Å; E5-V60 WeakPolarHBondContact O-CG1 3.21Å; E5-R61 IonicContact OE1-CZ 3.61Å; E5-R61 IonicContact OE1-NE 2.91Å; E5-R61 IonicContact OE1-NH2 3.4Å; E5-R61 PolarHBondContact OE1-NH2 3.17Å; E5-R61 VanDerWaalsContact OE1-NH2 3.09Å; E5-R61 IonicContact OE2-CZ 3.39Å; E5-R61 IonicContact OE2-NE 3.09Å; E5-R61 PolarHBondContact OE2-NE 3.42Å; E5-R61 IonicContact OE2-NH2 3.89Å; E5-R61 PolarHBondContact OE2-NH2 3.45Å |
| 6 | Y | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.6 | -44.4 | 175.9 | 168.6 | -91.4 | 0 | 0 | 0 | 112 | N2 L3 E4 R9 T10 I27 H31 V60 L74 V78 | N2-Y6 PolarHBondContact O-N 2.71Å; L3-Y6 WeakPolarHBondContact O-CB 3.42Å; L3-Y6 PolarHBondContact O-N 2.99Å; L3-Y6 VanDerWaalsContact O-N 3.15Å; E4-Y6 VanDerWaalsContact C-N 3.26Å; E4-Y6 PolarHBondContact O-N 3.43Å; Y6-R9 WeakPolarHBondContact O-CA 2.87Å; Y6-R9 VanDerWaalsContact O-CB 3.31Å; Y6-R9 WeakPolarHBondContact O-CB 3.19Å; Y6-R9 PolarHBondContact O-N 2.75Å; Y6-R9 VanDerWaalsContact O-N 3.12Å; Y6-T10 HydrophobicContact CD2-CG2 4.33Å; Y6-T10 HydrophobicContact CE1-CG2 4.07Å; Y6-T10 HydrophobicContact CE2-CG2 3.8Å; Y6-T10 PolarHBondContact O-N 3.27Å; Y6-T10 PolarHBondContact O-OG1 3.16Å; Y6-I27 HydrophobicContact CE1-CG2 4.4Å; Y6-H31 AromaticContact CE2-ND1 3.63Å; Y6-H31 AromaticContact CZ-ND1 3.65Å; Y6-H31 PolarHBondContact OH-ND1 3.4Å; Y6-V60 HydrophobicContact CD2-CG2 4.29Å; Y6-L74 HydrophobicContact CD2-CD1 4.48Å; Y6-L74 HydrophobicContact CD2-CD2 4.17Å; Y6-L74 HydrophobicContact CD2-CG 4.31Å; Y6-L74 HydrophobicContact CE2-CD2 4.13Å; Y6-L74 HydrophobicContact CE2-CG 4.25Å; Y6-V78 HydrophobicContact CD1-CG1 4.03Å; Y6-V78 HydrophobicContact CD1-CG2 3.68Å; Y6-V78 HydrophobicContact CD2-CG2 3.73Å; Y6-V78 HydrophobicContact CE1-CB 4.27Å; Y6-V78 HydrophobicContact CE1-CG1 3.7Å; Y6-V78 HydrophobicContact CE1-CG2 3.71Å; Y6-V78 HydrophobicContact CE2-CG2 3.74Å; Y6-V78 HydrophobicContact CG-CG2 3.69Å |
| 7 | F | 98.6 | Very high | 96.4 | Very high | 17 Ų | 17 | 64.1 Ų | 64.1 | 8% | 0.075 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -69.9 | -35.1 | 179 | -68.5 | -52.2 | 0 | 0 | 0 | 112.5 | L3 E4 R9 T10 G11 Y12 L16 I27 V78 L82 | L3-F7 HydrophobicContact CB-CD2 4.3Å; L3-F7 HydrophobicContact CB-CE2 4Å; L3-F7 HydrophobicContact CD2-CE2 4.33Å; L3-F7 WeakPolarHBondContact O-CD2 3.36Å; L3-F7 PolarHBondContact O-N 2.93Å; E4-F7 PolarHBondContact O-N 3.22Å; F7-R9 VanDerWaalsContact C-N 3.29Å; F7-R9 PolarHBondContact O-N 3.39Å; F7-T10 PolarHBondContact O-N 3.02Å; F7-T10 PolarHBondContact O-OG1 3.15Å; F7-G11 WeakPolarHBondContact O-CA 3.43Å; F7-G11 PolarHBondContact O-N 3.32Å; F7-Y12 AromaticContact CD1-CD1 3.55Å; F7-Y12 HydrophobicContact CD1-CD1 3.55Å; F7-Y12 HydrophobicContact CD1-CG 4.14Å; F7-Y12 AromaticContact CE1-CD1 3.69Å; F7-Y12 HydrophobicContact CE1-CD1 3.69Å; F7-Y12 HydrophobicContact CE1-CE1 4.31Å; F7-Y12 HydrophobicContact CE1-CG 4.45Å; F7-Y12 HydrophobicContact CG-CD1 4.25Å; F7-Y12 PolarHBondContact O-N 2.75Å; F7-L16 HydrophobicContact CD2-CD1 4.02Å; F7-L16 HydrophobicContact CE1-CD2 4.19Å; F7-L16 HydrophobicContact CE2-CD1 3.37Å; F7-L16 HydrophobicContact CE2-CD2 3.93Å; F7-L16 HydrophobicContact CE2-CG 4.29Å; F7-L16 HydrophobicContact CZ-CD1 3.92Å; F7-L16 HydrophobicContact CZ-CD2 3.55Å; F7-L16 HydrophobicContact CZ-CG 4.39Å; F7-I27 HydrophobicContact CE1-CD1 4.18Å; F7-I27 HydrophobicContact CE1-CG1 4.14Å; F7-I27 HydrophobicContact CE1-CG2 4.3Å; F7-I27 HydrophobicContact CZ-CD1 4.37Å; F7-V78 HydrophobicContact CZ-CG1 4.37Å; F7-L82 HydrophobicContact CE2-CD2 4.38Å; F7-L82 HydrophobicContact CZ-CD1 4.06Å; F7-L82 HydrophobicContact CZ-CD2 4.1Å |
| 8 | V | 98.4 | Very high | 96.2 | Very high | 109 Ų | 109 | 68 Ų | 68 | 66% | 0.661 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -60.3 | -41.2 | 167.5 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | E4 T10 | E4-V8 WeakPolarHBondContact O-CG2 3.33Å; E4-V8 PolarHBondContact O-N 2.82Å; V8-T10 PolarHBondContact O-N 3.5Å |
| 9 | R | 98.5 | Very high | 96.1 | Very high | 22 Ų | 22 | 68.9 Ų | 68.9 | 8% | 0.083 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64 | -37.8 | 177.4 | 169 | 66.5 | -177 | 91.8 | -3.4 | 112.8 | E5 Y6 F7 A34 I59 V60 K63 R64 | E5-R9 WeakPolarHBondContact O-CB 3.46Å; E5-R9 PolarHBondContact O-N 2.7Å; Y6-R9 WeakPolarHBondContact O-CA 2.87Å; Y6-R9 VanDerWaalsContact O-CB 3.31Å; Y6-R9 WeakPolarHBondContact O-CB 3.19Å; Y6-R9 PolarHBondContact O-N 2.75Å; Y6-R9 VanDerWaalsContact O-N 3.12Å; F7-R9 VanDerWaalsContact C-N 3.29Å; F7-R9 PolarHBondContact O-N 3.39Å; R9-A34 PolarHBondContact NH1-O 2.8Å; R9-A34 PolarHBondContact NH2-O 3.03Å; R9-I59 WeakPolarHBondContact CD-O 3.36Å; R9-I59 PolarHBondContact NE-O 3.04Å; R9-V60 HydrophobicContact CB-CG1 4.02Å; R9-K63 PolarHBondContact NH2-O 3.36Å; R9-R64 PolarHBondContact NH2-O 3.15Å |
| 10 | T | 98.4 | Very high | 96.1 | Very high | 10 Ų | 10 | 67.6 Ų | 67.6 | 6% | 0.061 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -92.4 | -12.5 | -177.7 | 60 | 0 | 0 | 0 | 0 | 113.8 | Y6 F7 V8 Y12 A34 V35 | Y6-T10 HydrophobicContact CD2-CG2 4.33Å; Y6-T10 HydrophobicContact CE1-CG2 4.07Å; Y6-T10 HydrophobicContact CE2-CG2 3.8Å; Y6-T10 PolarHBondContact O-N 3.27Å; Y6-T10 PolarHBondContact O-OG1 3.16Å; F7-T10 PolarHBondContact O-N 3.02Å; F7-T10 PolarHBondContact O-OG1 3.15Å; V8-T10 PolarHBondContact O-N 3.5Å; T10-Y12 VanDerWaalsContact C-N 3.26Å; T10-Y12 PolarHBondContact O-N 3.14Å; T10-A34 HydrophobicContact CG2-CB 4.34Å; T10-V35 HydrophobicContact CG2-CG2 4.33Å |
| 11 | G | 98.3 | Very high | 96.2 | Very high | 38 Ų | 38 | 67.2 Ų | 67.2 | 39% | 0.392 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 13.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114 | F7 N13 | F7-G11 WeakPolarHBondContact O-CA 3.43Å; F7-G11 PolarHBondContact O-N 3.32Å; G11-N13 PolarHBondContact O-N 3.35Å; G11-N13 PolarHBondContact O-ND2 2.91Å |
| 12 | Y | 98.3 | Very high | 96.4 | Very high | 9 Ų | 9 | 69.4 Ų | 69.4 | 4% | 0.035 | 37% | 0.369 | C | S | . | . | trans | -79.2 | 120.4 | 178.3 | 178 | -98.2 | 0 | 0 | 0 | 110.6 | F7 T10 G14 S15 L16 D26 I27 H30 | F7-Y12 AromaticContact CD1-CD1 3.55Å; F7-Y12 HydrophobicContact CD1-CD1 3.55Å; F7-Y12 HydrophobicContact CD1-CG 4.14Å; F7-Y12 AromaticContact CE1-CD1 3.69Å; F7-Y12 HydrophobicContact CE1-CD1 3.69Å; F7-Y12 HydrophobicContact CE1-CE1 4.31Å; F7-Y12 HydrophobicContact CE1-CG 4.45Å; F7-Y12 HydrophobicContact CG-CD1 4.25Å; F7-Y12 PolarHBondContact O-N 2.75Å; T10-Y12 VanDerWaalsContact C-N 3.26Å; T10-Y12 PolarHBondContact O-N 3.14Å; Y12-G14 WeakPolarHBondContact CE1-O 3.44Å; Y12-G14 VanDerWaalsContact CZ-CA 3.43Å; Y12-G14 WeakPolarHBondContact OH-CA 3.41Å; Y12-S15 PolarHBondContact OH-O 3.44Å; Y12-S15 VanDerWaalsContact OH-O 3.09Å; Y12-L16 HydrophobicContact CD1-CD2 4.35Å; Y12-L16 HydrophobicContact CE1-CD2 3.59Å; Y12-L16 HydrophobicContact CE1-CG 4.43Å; Y12-D26 HydrophobicContact CD2-CB 4.25Å; Y12-D26 HydrophobicContact CE2-CB 3.58Å; Y12-I27 HydrophobicContact CD1-CG1 4.03Å; Y12-I27 HydrophobicContact CD2-CG1 4.24Å; Y12-I27 HydrophobicContact CE1-CD1 4.29Å; Y12-I27 HydrophobicContact CE1-CG1 3.79Å; Y12-I27 HydrophobicContact CE2-CG1 4.02Å; Y12-I27 HydrophobicContact CG-CG1 4.23Å; Y12-H30 AromaticContact CD2-CE1 3.84Å; Y12-H30 AromaticContact CD2-ND1 3.64Å | ||
| 13 | N | 96.8 | Very high | 96.5 | Very high | 153 Ų | 153 | 66.9 Ų | 66.9 | 82% | 0.818 | 36% | 0.356 | S | S | * | . | trans | -121 | 16.7 | 179.3 | -58.6 | -52.1 | 0 | 0 | 0 | 112.5 | G11 | G11-N13 PolarHBondContact O-N 3.35Å; G11-N13 PolarHBondContact O-ND2 2.91Å | ||
| 14 | G | 94.9 | Very high | 96.6 | Very high | 37 Ų | 37 | 65.3 Ų | 65.3 | 38% | 0.381 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -76 | 171.3 | 180 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y12 | Y12-G14 WeakPolarHBondContact CE1-O 3.44Å; Y12-G14 VanDerWaalsContact CZ-CA 3.43Å; Y12-G14 WeakPolarHBondContact OH-CA 3.41Å |
| 15 | S | 92.9 | Very high | 96.6 | Very high | 67 Ų | 67 | 60 Ų | 60 | 47% | 0.469 | 32% | 0.324 | S | S | . | . | trans | -69.7 | 140.4 | 178 | -178.1 | 0 | 0 | 0 | 0 | 111.5 | Y12 E17 | Y12-S15 PolarHBondContact OH-O 3.44Å; Y12-S15 VanDerWaalsContact OH-O 3.09Å; S15-E17 WeakPolarHBondContact OG-CG 3.24Å; S15-E17 PolarHBondContact OG-N 3.03Å | ||
| 16 | L | 92.9 | Very high | 96.6 | Very high | 65 Ų | 65 | 59.8 Ų | 59.8 | 34% | 0.34 | 33% | 0.326 | S | S | . | . | trans | -106.3 | 7.5 | 176.4 | -59.6 | 175.1 | 0 | 0 | 0 | 112.7 | F7 Y12 K18 Q19 I27 L82 | F7-L16 HydrophobicContact CD2-CD1 4.02Å; F7-L16 HydrophobicContact CE1-CD2 4.19Å; F7-L16 HydrophobicContact CE2-CD1 3.37Å; F7-L16 HydrophobicContact CE2-CD2 3.93Å; F7-L16 HydrophobicContact CE2-CG 4.29Å; F7-L16 HydrophobicContact CZ-CD1 3.92Å; F7-L16 HydrophobicContact CZ-CD2 3.55Å; F7-L16 HydrophobicContact CZ-CG 4.39Å; Y12-L16 HydrophobicContact CD1-CD2 4.35Å; Y12-L16 HydrophobicContact CE1-CD2 3.59Å; Y12-L16 HydrophobicContact CE1-CG 4.43Å; L16-K18 VanDerWaalsContact C-N 3.28Å; L16-K18 PolarHBondContact O-N 3.23Å; L16-Q19 PolarHBondContact O-NE2 2.82Å; L16-I27 HydrophobicContact CD2-CD1 4.01Å; L16-L82 HydrophobicContact CB-CD2 4.43Å; L16-L82 HydrophobicContact CD1-CD2 4.17Å; L16-L82 HydrophobicContact CD2-CD1 4.5Å; L16-L82 HydrophobicContact CD2-CD2 3.96Å; L16-L82 HydrophobicContact CG-CD2 4.43Å | ||
| 17 | E | 89.3 | Confident | 96.6 | Very high | 167 Ų | 167 | 59.8 Ų | 59.8 | 78% | 0.78 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -67.8 | -29.5 | -174.9 | -68.4 | -179.7 | 165 | 0 | 0 | 112.6 | S15 Q19 | S15-E17 WeakPolarHBondContact OG-CG 3.24Å; S15-E17 PolarHBondContact OG-N 3.03Å; E17-Q19 PolarHBondContact O-NE2 3.32Å |
| 18 | K | 91.5 | Very high | 96.7 | Very high | 135 Ų | 135 | 59 Ų | 59 | 59% | 0.587 | 32% | 0.322 | S | S | * | . | trans | -109.6 | 142.3 | -177.6 | -60.4 | -177.8 | -175.4 | 175 | 0 | 111 | L16 D20 T23 | L16-K18 VanDerWaalsContact C-N 3.28Å; L16-K18 PolarHBondContact O-N 3.23Å; K18-D20 WeakPolarHBondContact CB-OD2 3.42Å; K18-D20 VanDerWaalsContact CD-OD2 3.24Å; K18-D20 WeakPolarHBondContact CD-OD2 3.34Å; K18-T23 PolarHBondContact O-OG1 3.27Å | ||
| 19 | Q | 94.5 | Very high | 96.7 | Very high | 85 Ų | 85 | 55.4 Ų | 55.4 | 40% | 0.397 | 30% | 0.298 | S | S | . | . | trans | -105.2 | 48.7 | 172.3 | -63 | 73.7 | 50.9 | 0 | 0 | 109.8 | L16 E17 L82 Y84 | L16-Q19 PolarHBondContact O-NE2 2.82Å; E17-Q19 PolarHBondContact O-NE2 3.32Å; Q19-L82 WeakPolarHBondContact CG-O 3.37Å; Q19-Y84 VanDerWaalsContact C-CE1 3.42Å; Q19-Y84 HydrophobicContact CB-CD1 4.15Å; Q19-Y84 HydrophobicContact CB-CE1 3.87Å; Q19-Y84 HydrophobicContact CB-CE2 4.33Å; Q19-Y84 HydrophobicContact CG-CE2 4.42Å; Q19-Y84 VanDerWaalsContact O-CE1 3.24Å; Q19-Y84 WeakPolarHBondContact O-CE1 3.35Å | ||
| 20 | D | 97.2 | Very high | 96.7 | Very high | 42 Ų | 42 | 57.5 Ų | 57.5 | 23% | 0.225 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -93.4 | 174.5 | 179.6 | 59.1 | 25.3 | 0 | 0 | 0 | 112.1 | K18 E22 T23 L24 Y84 | K18-D20 WeakPolarHBondContact CB-OD2 3.42Å; K18-D20 VanDerWaalsContact CD-OD2 3.24Å; K18-D20 WeakPolarHBondContact CD-OD2 3.34Å; D20-E22 VanDerWaalsContact C-N 3.3Å; D20-E22 PolarHBondContact O-N 3.09Å; D20-E22 PolarHBondContact OD1-N 2.98Å; D20-T23 VanDerWaalsContact OD1-CB 3.24Å; D20-T23 WeakPolarHBondContact OD1-CB 3.17Å; D20-T23 PolarHBondContact OD1-N 2.99Å; D20-T23 PolarHBondContact OD1-OG1 3.08Å; D20-L24 WeakPolarHBondContact O-CB 2.97Å; D20-L24 PolarHBondContact O-N 3.43Å; D20-L24 VanDerWaalsContact O-N 3.11Å; D20-Y84 PolarHBondContact O-OH 2.77Å |
| 21 | L | 98.3 | Very high | 96.7 | Very high | 61 Ų | 61 | 57 Ų | 57 | 32% | 0.319 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.7 | -30.7 | -179.3 | -179.2 | 62.2 | 0 | 0 | 0 | 112.4 | L24 T25 I114 Y119 P134 | L21-L24 HydrophobicContact CD1-CD2 4.28Å; L21-T25 VanDerWaalsContact O-CB 3.31Å; L21-T25 WeakPolarHBondContact O-CB 3.45Å; L21-T25 PolarHBondContact O-N 3.3Å; L21-T25 PolarHBondContact O-OG1 3.5Å; L21-I114 HydrophobicContact CB-CD1 4.24Å; L21-I114 HydrophobicContact CD1-CD1 4.46Å; L21-Y119 HydrophobicContact CD1-CD1 3.98Å; L21-Y119 HydrophobicContact CD1-CE1 3.85Å; L21-Y119 HydrophobicContact CD1-CE2 4.4Å; L21-Y119 HydrophobicContact CD1-CG 4.32Å; L21-Y119 HydrophobicContact CD2-CE1 3.83Å; L21-P134 HydrophobicContact CD1-CB 3.93Å; L21-P134 HydrophobicContact CD1-CG 4Å |
| 22 | E | 98.1 | Very high | 96.7 | Very high | 140 Ų | 140 | 55.5 Ų | 55.5 | 65% | 0.654 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -65.4 | -53.1 | 178.2 | -175.4 | 174.6 | -174.4 | 0 | 0 | 110.1 | D20 L24 T25 D26 | D20-E22 VanDerWaalsContact C-N 3.3Å; D20-E22 PolarHBondContact O-N 3.09Å; D20-E22 PolarHBondContact OD1-N 2.98Å; E22-L24 VanDerWaalsContact C-N 3.31Å; E22-L24 PolarHBondContact O-N 3.42Å; E22-T25 WeakPolarHBondContact O-CB 3.5Å; E22-T25 PolarHBondContact O-N 3.36Å; E22-D26 PolarHBondContact O-N 3.46Å |
| 23 | T | 98.3 | Very high | 96.8 | Very high | 15 Ų | 15 | 58.9 Ų | 58.9 | 9% | 0.092 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.9 | -42 | 176.4 | -53.5 | 0 | 0 | 0 | 0 | 111.4 | K18 D20 T25 D26 I27 | K18-T23 PolarHBondContact O-OG1 3.27Å; D20-T23 VanDerWaalsContact OD1-CB 3.24Å; D20-T23 WeakPolarHBondContact OD1-CB 3.17Å; D20-T23 PolarHBondContact OD1-N 2.99Å; D20-T23 PolarHBondContact OD1-OG1 3.08Å; T23-T25 VanDerWaalsContact C-N 3.34Å; T23-T25 PolarHBondContact O-N 3.35Å; T23-D26 PolarHBondContact O-N 3.35Å; T23-I27 HydrophobicContact CG2-CD1 3.9Å; T23-I27 VanDerWaalsContact O-CG1 3.29Å; T23-I27 WeakPolarHBondContact O-CG1 3.41Å; T23-I27 PolarHBondContact O-N 2.89Å |
| 24 | L | 98.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60 | -44.9 | 175.4 | 175.6 | 62.3 | 0 | 0 | 0 | 111.5 | D20 L21 E22 F28 L79 Y84 V112 I114 V121 P134 | D20-L24 WeakPolarHBondContact O-CB 2.97Å; D20-L24 PolarHBondContact O-N 3.43Å; D20-L24 VanDerWaalsContact O-N 3.11Å; L21-L24 HydrophobicContact CD1-CD2 4.28Å; E22-L24 VanDerWaalsContact C-N 3.31Å; E22-L24 PolarHBondContact O-N 3.42Å; L24-F28 WeakPolarHBondContact O-CB 3.26Å; L24-F28 PolarHBondContact O-N 3.15Å; L24-L79 HydrophobicContact CD1-CD1 3.86Å; L24-L79 HydrophobicContact CD1-CD2 3.38Å; L24-L79 HydrophobicContact CD1-CG 4.25Å; L24-Y84 HydrophobicContact CB-CE1 4.03Å; L24-Y84 PolarHBondContact N-OH 3.02Å; L24-Y84 VanDerWaalsContact N-OH 3.12Å; L24-V112 HydrophobicContact CD1-CG2 4.48Å; L24-V112 HydrophobicContact CD2-CB 4.16Å; L24-V112 HydrophobicContact CD2-CG1 4.03Å; L24-V112 HydrophobicContact CD2-CG2 4.31Å; L24-I114 HydrophobicContact CB-CD1 4.44Å; L24-I114 HydrophobicContact CD2-CD1 3.87Å; L24-V121 HydrophobicContact CD1-CG2 4.25Å; L24-V121 HydrophobicContact CD2-CG2 4.02Å; L24-V121 HydrophobicContact CG-CG2 4.41Å; L24-P134 HydrophobicContact CD2-CB 4.04Å; L24-P134 HydrophobicContact CD2-CG 3.7Å; L24-P134 HydrophobicContact CG-CG 3.71Å |
| 25 | T | 98.7 | Very high | 97 | Very high | 22 Ų | 22 | 50.8 Ų | 50.8 | 14% | 0.135 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.3 | -44 | -179.1 | -60.7 | 0 | 0 | 0 | 0 | 110.9 | L21 E22 T23 F28 Q29 Q133 P134 | L21-T25 VanDerWaalsContact O-CB 3.31Å; L21-T25 WeakPolarHBondContact O-CB 3.45Å; L21-T25 PolarHBondContact O-N 3.3Å; L21-T25 PolarHBondContact O-OG1 3.5Å; E22-T25 WeakPolarHBondContact O-CB 3.5Å; E22-T25 PolarHBondContact O-N 3.36Å; T23-T25 VanDerWaalsContact C-N 3.34Å; T23-T25 PolarHBondContact O-N 3.35Å; T25-F28 PolarHBondContact O-N 3.01Å; T25-Q29 HydrophobicContact CG2-CG 4.44Å; T25-Q29 WeakPolarHBondContact O-CB 3.44Å; T25-Q29 WeakPolarHBondContact O-CG 3.24Å; T25-Q29 PolarHBondContact O-N 3.27Å; T25-Q133 HydrophobicContact CG2-CB 4.31Å; T25-Q133 HydrophobicContact CG2-CG 3.98Å; T25-P134 VanDerWaalsContact OG1-CD 3.26Å; T25-P134 WeakPolarHBondContact OG1-CD 3.43Å |
| 26 | D | 98.5 | Very high | 97.3 | Very high | 61 Ų | 61 | 47.6 Ų | 47.6 | 33% | 0.326 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -66 | -46.4 | -179.6 | -70.9 | -16.5 | 0 | 0 | 0 | 112 | Y12 E22 T23 F28 Q29 H30 | Y12-D26 HydrophobicContact CD2-CB 4.25Å; Y12-D26 HydrophobicContact CE2-CB 3.58Å; E22-D26 PolarHBondContact O-N 3.46Å; T23-D26 PolarHBondContact O-N 3.35Å; D26-F28 VanDerWaalsContact C-N 3.28Å; D26-F28 PolarHBondContact O-N 3.37Å; D26-Q29 PolarHBondContact O-N 3.2Å; D26-H30 PolarHBondContact O-N 3.08Å; D26-H30 PolarHBondContact O-ND1 2.89Å |
| 27 | I | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.2 | -44.2 | 176.6 | -68.3 | 170.5 | 0 | 0 | 0 | 110.1 | Y6 F7 Y12 L16 T23 H30 H31 V78 L82 | Y6-I27 HydrophobicContact CE1-CG2 4.4Å; F7-I27 HydrophobicContact CE1-CD1 4.18Å; F7-I27 HydrophobicContact CE1-CG1 4.14Å; F7-I27 HydrophobicContact CE1-CG2 4.3Å; F7-I27 HydrophobicContact CZ-CD1 4.37Å; Y12-I27 HydrophobicContact CD1-CG1 4.03Å; Y12-I27 HydrophobicContact CD2-CG1 4.24Å; Y12-I27 HydrophobicContact CE1-CD1 4.29Å; Y12-I27 HydrophobicContact CE1-CG1 3.79Å; Y12-I27 HydrophobicContact CE2-CG1 4.02Å; Y12-I27 HydrophobicContact CG-CG1 4.23Å; L16-I27 HydrophobicContact CD2-CD1 4.01Å; T23-I27 HydrophobicContact CG2-CD1 3.9Å; T23-I27 VanDerWaalsContact O-CG1 3.29Å; T23-I27 WeakPolarHBondContact O-CG1 3.41Å; T23-I27 PolarHBondContact O-N 2.89Å; I27-H30 PolarHBondContact O-N 3.5Å; I27-H31 WeakPolarHBondContact O-CB 3.3Å; I27-H31 PolarHBondContact O-N 2.96Å; I27-V78 HydrophobicContact CG2-CG1 4.5Å; I27-L82 HydrophobicContact CD1-CD1 3.49Å; I27-L82 VanDerWaalsContact CD1-CD1 3.49Å |
| 28 | F | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.2 | -44.2 | 178.8 | 177 | -127.1 | 0 | 0 | 0 | 112.2 | L24 T25 D26 H30 H31 I32 L75 V121 D122 M131 | L24-F28 WeakPolarHBondContact O-CB 3.26Å; L24-F28 PolarHBondContact O-N 3.15Å; T25-F28 PolarHBondContact O-N 3.01Å; D26-F28 VanDerWaalsContact C-N 3.28Å; D26-F28 PolarHBondContact O-N 3.37Å; F28-H30 PolarHBondContact O-N 2.94Å; F28-H31 WeakPolarHBondContact O-CB 3.42Å; F28-H31 PolarHBondContact O-N 2.92Å; F28-I32 HydrophobicContact CD2-CG2 3.97Å; F28-I32 HydrophobicContact CE2-CG2 3.49Å; F28-I32 VanDerWaalsContact CE2-CG2 3.49Å; F28-I32 HydrophobicContact CZ-CG2 3.92Å; F28-I32 PolarHBondContact O-N 3.04Å; F28-L75 HydrophobicContact CD2-CD2 3.88Å; F28-L75 HydrophobicContact CE2-CD2 4.22Å; F28-V121 HydrophobicContact CB-CG1 4.34Å; F28-V121 HydrophobicContact CD1-CG1 4.37Å; F28-V121 HydrophobicContact CD2-CG1 3.43Å; F28-V121 VanDerWaalsContact CD2-CG1 3.43Å; F28-V121 HydrophobicContact CE2-CG1 3.7Å; F28-V121 HydrophobicContact CG-CG1 3.8Å; F28-V121 HydrophobicContact CZ-CG1 4.26Å; F28-D122 WeakPolarHBondContact CZ-O 3.5Å; F28-M131 HydrophobicContact CE1-CG 3.88Å; F28-M131 WeakPolarHBondContact CE1-O 3.29Å; F28-M131 HydrophobicContact CZ-CG 3.74Å; F28-M131 WeakPolarHBondContact CZ-O 3.39Å |
| 29 | Q | 98.8 | Very high | 98.4 | Very high | 33 Ų | 33 | 30.9 Ų | 30.9 | 15% | 0.154 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.2 | -38.8 | 177.6 | -76.5 | -176.7 | 13.9 | 0 | 0 | 112.9 | T25 D26 H31 I32 R33 W132 | T25-Q29 HydrophobicContact CG2-CG 4.44Å; T25-Q29 WeakPolarHBondContact O-CB 3.44Å; T25-Q29 WeakPolarHBondContact O-CG 3.24Å; T25-Q29 PolarHBondContact O-N 3.27Å; D26-Q29 PolarHBondContact O-N 3.2Å; Q29-H31 VanDerWaalsContact C-N 3.33Å; Q29-I32 WeakPolarHBondContact O-CG1 3.41Å; Q29-R33 WeakPolarHBondContact O-CB 3.48Å; Q29-R33 WeakPolarHBondContact O-CG 3.29Å; Q29-R33 PolarHBondContact O-N 3.17Å; Q29-R33 PolarHBondContact O-NE 3.06Å; Q29-W132 WeakPolarHBondContact CG-O 3.46Å; Q29-W132 PolarHBondContact NE2-O 2.95Å; Q29-W132 VanDerWaalsContact NE2-O 3.12Å |
| 30 | H | 98.8 | Very high | 98.6 | Very high | 66 Ų | 66 | 27 Ų | 27 | 31% | 0.306 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -65.7 | -39.4 | 173.6 | -76 | 77.3 | 0 | 0 | 0 | 111 | Y12 D26 I27 F28 R33 A34 | Y12-H30 AromaticContact CD2-CE1 3.84Å; Y12-H30 AromaticContact CD2-ND1 3.64Å; D26-H30 PolarHBondContact O-N 3.08Å; D26-H30 PolarHBondContact O-ND1 2.89Å; I27-H30 PolarHBondContact O-N 3.5Å; F28-H30 PolarHBondContact O-N 2.94Å; H30-R33 PolarHBondContact O-N 2.86Å; H30-A34 WeakPolarHBondContact O-CB 3.32Å; H30-A34 PolarHBondContact O-N 3.36Å |
| 31 | H | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.2 | -56.5 | 175.9 | -173.5 | 99.8 | 0 | 0 | 0 | 112 | Y6 I27 F28 Q29 R33 A34 V35 N71 L75 | Y6-H31 AromaticContact CE2-ND1 3.63Å; Y6-H31 AromaticContact CZ-ND1 3.65Å; Y6-H31 PolarHBondContact OH-ND1 3.4Å; I27-H31 WeakPolarHBondContact O-CB 3.3Å; I27-H31 PolarHBondContact O-N 2.96Å; F28-H31 WeakPolarHBondContact O-CB 3.42Å; F28-H31 PolarHBondContact O-N 2.92Å; Q29-H31 VanDerWaalsContact C-N 3.33Å; H31-R33 PolarHBondContact O-N 2.81Å; H31-A34 PolarHBondContact O-N 3.14Å; H31-A34 VanDerWaalsContact O-N 3.1Å; H31-V35 WeakPolarHBondContact O-CB 3.2Å; H31-V35 PolarHBondContact O-N 3.01Å; H31-N71 PolarHBondContact NE2-OD1 2.89Å; H31-N71 VanDerWaalsContact NE2-OD1 3.08Å; H31-L75 HydrophobicContact CB-CD1 4.47Å |
| 32 | I | 98.8 | Very high | 98.6 | Very high | 5 Ų | 5 | 23.8 Ų | 23.8 | 3% | 0.026 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -68.5 | -18.8 | -174.6 | 66.2 | -179.4 | 0 | 0 | 0 | 114 | F28 Q29 Q130 W132 Q226 | F28-I32 HydrophobicContact CD2-CG2 3.97Å; F28-I32 HydrophobicContact CE2-CG2 3.49Å; F28-I32 VanDerWaalsContact CE2-CG2 3.49Å; F28-I32 HydrophobicContact CZ-CG2 3.92Å; F28-I32 PolarHBondContact O-N 3.04Å; Q29-I32 WeakPolarHBondContact O-CG1 3.41Å; I32-Q130 HydrophobicContact CB-CG 4.44Å; I32-Q130 HydrophobicContact CD1-CG 4.37Å; I32-Q130 HydrophobicContact CG2-CG 4.42Å; I32-W132 HydrophobicContact CD1-CB 4.39Å; I32-W132 HydrophobicContact CD1-CG 4.09Å; I32-Q226 HydrophobicContact CB-CG 4.11Å; I32-Q226 HydrophobicContact CD1-CG 4.23Å; I32-Q226 HydrophobicContact CG1-CB 4.29Å; I32-Q226 HydrophobicContact CG1-CG 4.18Å; I32-Q226 WeakPolarHBondContact O-CB 3.42Å; I32-Q226 PolarHBondContact O-N 3.25Å |
| 33 | R | 98.8 | Very high | 98.6 | Very high | 81 Ų | 81 | 18 Ų | 18 | 31% | 0.306 | 9% | 0.089 | S | C | . | . | H | α-helix | trans | -90.5 | -18.4 | 175.2 | -67 | 179 | -140.6 | -144.6 | 5.7 | 113.3 | Q29 H30 H31 L225 Q226 | Q29-R33 WeakPolarHBondContact O-CB 3.48Å; Q29-R33 WeakPolarHBondContact O-CG 3.29Å; Q29-R33 PolarHBondContact O-N 3.17Å; Q29-R33 PolarHBondContact O-NE 3.06Å; H30-R33 PolarHBondContact O-N 2.86Å; H31-R33 PolarHBondContact O-N 2.81Å; R33-L225 WeakPolarHBondContact O-CD1 3.41Å; R33-Q226 WeakPolarHBondContact CA-O 3.4Å; R33-Q226 HydrophobicContact CG-CB 4.36Å |
| 34 | A | 98.8 | Very high | 98.6 | Very high | 17 Ų | 17 | 17.5 Ų | 17.5 | 14% | 0.14 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -106.6 | -37.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R9 T10 H30 H31 P36 | R9-A34 PolarHBondContact NH1-O 2.8Å; R9-A34 PolarHBondContact NH2-O 3.03Å; T10-A34 HydrophobicContact CG2-CB 4.34Å; H30-A34 WeakPolarHBondContact O-CB 3.32Å; H30-A34 PolarHBondContact O-N 3.36Å; H31-A34 PolarHBondContact O-N 3.14Å; H31-A34 VanDerWaalsContact O-N 3.1Å; A34-P36 WeakPolarHBondContact O-CD 3.41Å |
| 35 | V | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.018 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -103.3 | 111.9 | -174.8 | -174.3 | 0 | 0 | 0 | 0 | 109.4 | T10 H31 I59 N71 | T10-V35 HydrophobicContact CG2-CG2 4.33Å; H31-V35 WeakPolarHBondContact O-CB 3.2Å; H31-V35 PolarHBondContact O-N 3.01Å; V35-I59 HydrophobicContact CB-CG2 4.37Å; V35-I59 HydrophobicContact CG1-CD1 4.35Å; V35-I59 HydrophobicContact CG1-CG2 3.53Å; V35-I59 HydrophobicContact CG2-CG2 3.86Å; V35-N71 WeakPolarHBondContact CG1-OD1 3.25Å |
| 36 | P | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -66.8 | 147.8 | 178 | -20.1 | 31.4 | 0 | 0 | 0 | 112.6 | A34 E38 G65 G66 N71 T224 L225 V273 | A34-P36 WeakPolarHBondContact O-CD 3.41Å; P36-E38 HydrophobicContact CB-CG 4.35Å; P36-G65 WeakPolarHBondContact O-CA 3.45Å; P36-G66 PolarHBondContact O-N 3.46Å; P36-G66 VanDerWaalsContact O-N 3.14Å; P36-N71 PolarHBondContact O-ND2 2.87Å; P36-T224 CarbonylContact C-O 3.6Å; P36-T224 WeakPolarHBondContact CA-O 3.25Å; P36-T224 WeakPolarHBondContact CB-O 3.33Å; P36-L225 HydrophobicContact CB-CD1 4.39Å; P36-L225 HydrophobicContact CG-CD1 4.07Å; P36-V273 HydrophobicContact CG-CG2 3.9Å | ||
| 37 | F | 98.8 | Very high | 98.3 | Very high | 15 Ų | 15 | 30.9 Ų | 30.9 | 7% | 0.066 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 116.2 | 156 | 167.8 | -94.3 | 0 | 0 | 0 | 108.4 | G66 W67 G124 F217 I222 C223 T224 | F37-G66 CarbonylContact C-O 3.46Å; F37-G66 VanDerWaalsContact CA-O 3.3Å; F37-G66 WeakPolarHBondContact CA-O 3.44Å; F37-W67 HydrophobicContact CE2-CB 4.1Å; F37-G124 WeakPolarHBondContact CD2-O 3.36Å; F37-G124 WeakPolarHBondContact CE2-O 3.23Å; F37-F217 HydrophobicContact CE2-CE1 4.48Å; F37-F217 AromaticContact CZ-CE1 3.75Å; F37-F217 HydrophobicContact CZ-CE1 3.75Å; F37-F217 HydrophobicContact CZ-CZ 4.24Å; F37-I222 HydrophobicContact CD1-CG2 4.18Å; F37-I222 HydrophobicContact CE1-CG2 3.96Å; F37-C223 CarbonylContact O-C 3.46Å; F37-C223 WeakPolarHBondContact O-CA 3.19Å; F37-T224 HydrophobicContact CD1-CG2 4.18Å; F37-T224 PolarHBondContact N-O 2.93Å; F37-T224 PolarHBondContact O-N 2.91Å |
| 38 | E | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 153.1 | -174.6 | 61 | 93.1 | 161.1 | 0 | 0 | 113.8 | P36 L40 K58 R64 G65 G66 W67 I222 C223 | P36-E38 HydrophobicContact CB-CG 4.35Å; E38-L40 HydrophobicContact CB-CD1 4.41Å; E38-L40 HydrophobicContact CB-CG 4.17Å; E38-L40 WeakPolarHBondContact OE2-CB 3.39Å; E38-L40 PolarHBondContact OE2-N 3.17Å; E38-K58 IonicContact OE1-NZ 3.76Å; E38-R64 IonicContact OE1-CZ 3.52Å; E38-R64 IonicContact OE1-NE 3.6Å; E38-R64 PolarHBondContact OE1-NE 3.25Å; E38-R64 IonicContact OE1-NH2 3.83Å; E38-R64 PolarHBondContact OE1-NH2 3.35Å; E38-R64 IonicContact OE2-NH2 3.71Å; E38-R64 PolarHBondContact OE2-NH2 2.81Å; E38-R64 VanDerWaalsContact OE2-NH2 3.11Å; E38-G65 VanDerWaalsContact OE1-C 3.25Å; E38-G65 PolarHBondContact OE1-N 3.43Å; E38-G65 VanDerWaalsContact OE1-N 3.16Å; E38-G65 VanDerWaalsContact OE1-O 3.12Å; E38-G66 PolarHBondContact N-O 2.8Å; E38-G66 CarbonylContact O-C 3.58Å; E38-G66 WeakPolarHBondContact O-CA 3.45Å; E38-W67 PolarHBondContact O-N 2.77Å; E38-I222 WeakPolarHBondContact CA-O 3.36Å; E38-I222 WeakPolarHBondContact CB-O 3.18Å; E38-C223 HydrophobicContact CB-CB 4.09Å |
| 39 | N | 98.4 | Very high | 98.1 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | trans | -123.9 | 23.5 | 174.6 | 71.4 | -26.6 | 0 | 0 | 0 | 112.6 | S41 I42 H43 F217 K220 I222 | N39-S41 PolarHBondContact O-N 3.21Å; N39-S41 VanDerWaalsContact O-N 3.16Å; N39-I42 HydrophobicContact CB-CD1 4.09Å; N39-I42 WeakPolarHBondContact O-CB 3.08Å; N39-I42 PolarHBondContact O-N 3.4Å; N39-I42 VanDerWaalsContact O-N 3.08Å; N39-H43 PolarHBondContact ND2-NE2 3.48Å; N39-H43 VanDerWaalsContact ND2-NE2 3.18Å; N39-H43 PolarHBondContact O-CD2 2.63Å; N39-F217 HydrophobicContact CB-CD1 3.96Å; N39-F217 WeakPolarHBondContact ND2-CA 3.43Å; N39-F217 PolarHBondContact ND2-O 2.83Å; N39-K220 PolarHBondContact ND2-O 2.79Å; N39-I222 PolarHBondContact N-O 2.8Å; N39-I222 VanDerWaalsContact N-O 3.13Å; N39-I222 PolarHBondContact OD1-N 2.86Å; N39-I222 PolarHBondContact OD1-O 3.15Å | ||
| 40 | L | 98.7 | Very high | 98 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -26.7 | -170.5 | -59.7 | 174.7 | 0 | 0 | 0 | 112.6 | E38 I42 H43 C44 C223 L267 V273 L275 L279 | E38-L40 HydrophobicContact CB-CD1 4.41Å; E38-L40 HydrophobicContact CB-CG 4.17Å; E38-L40 WeakPolarHBondContact OE2-CB 3.39Å; E38-L40 PolarHBondContact OE2-N 3.17Å; L40-I42 VanDerWaalsContact C-N 3.25Å; L40-I42 PolarHBondContact O-N 3.09Å; L40-H43 CarbonylContact O-C 3.43Å; L40-H43 PolarHBondContact O-N 2.84Å; L40-C44 WeakPolarHBondContact O-CB 3.44Å; L40-C44 PolarHBondContact O-N 2.98Å; L40-C44 PolarHBondContact O-SG 3.45Å; L40-C223 HydrophobicContact CD1-CB 4.18Å; L40-C223 HydrophobicContact CD2-CB 4.49Å; L40-C223 HydrophobicContact CG-CB 4.48Å; L40-L267 HydrophobicContact CD1-CD1 3.85Å; L40-L267 HydrophobicContact CD1-CD2 3.78Å; L40-L267 HydrophobicContact CD1-CG 4.49Å; L40-V273 HydrophobicContact CD1-CG1 3.93Å; L40-L275 HydrophobicContact CB-CD2 4.2Å; L40-L275 HydrophobicContact CD1-CD2 4.16Å; L40-L279 HydrophobicContact CB-CD1 4.46Å; L40-L279 HydrophobicContact CD2-CD1 4.02Å; L40-L279 HydrophobicContact CD2-CD2 4.19Å |
| 41 | S | 98.6 | Very high | 98 | Very high | 4 Ų | 4 | 33.2 Ų | 33.2 | 3% | 0.028 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -40.9 | 174 | -74.7 | 0 | 0 | 0 | 0 | 112.1 | N39 H43 C44 E45 E46 K58 R64 | N39-S41 PolarHBondContact O-N 3.21Å; N39-S41 VanDerWaalsContact O-N 3.16Å; S41-H43 PolarHBondContact O-N 3.09Å; S41-C44 CarbonylContact O-C 3.6Å; S41-C44 PolarHBondContact O-N 3.44Å; S41-C44 VanDerWaalsContact O-N 3.1Å; S41-E45 PolarHBondContact O-N 2.66Å; S41-E46 CarbonylContact C-O 3.59Å; S41-E46 VanDerWaalsContact C-O 3.29Å; S41-E46 WeakPolarHBondContact CB-OE2 3.47Å; S41-E46 WeakPolarHBondContact O-CA 3.24Å; S41-E46 WeakPolarHBondContact O-CB 3.4Å; S41-E46 PolarHBondContact O-N 3.32Å; S41-E46 VanDerWaalsContact O-O 3.06Å; S41-E46 PolarHBondContact OG-OE2 2.93Å; S41-K58 PolarHBondContact OG-NZ 3.46Å; S41-R64 PolarHBondContact OG-NH2 3.13Å |
| 42 | I | 98.2 | Very high | 97.9 | Very high | 31 Ų | 31 | 34.9 Ų | 34.9 | 16% | 0.159 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -58.3 | -42 | 177.1 | -59 | 175.3 | 0 | 0 | 0 | 110.5 | N39 L40 C44 E45 I48 W67 Q210 F217 | N39-I42 HydrophobicContact CB-CD1 4.09Å; N39-I42 WeakPolarHBondContact O-CB 3.08Å; N39-I42 PolarHBondContact O-N 3.4Å; N39-I42 VanDerWaalsContact O-N 3.08Å; L40-I42 VanDerWaalsContact C-N 3.25Å; L40-I42 PolarHBondContact O-N 3.09Å; I42-C44 VanDerWaalsContact C-N 3.27Å; I42-C44 PolarHBondContact O-N 2.84Å; I42-E45 PolarHBondContact O-N 3.41Å; I42-I48 HydrophobicContact CD1-CD1 4.08Å; I42-I48 HydrophobicContact CG1-CD1 3.76Å; I42-I48 HydrophobicContact CG1-CG1 4.43Å; I42-W67 HydrophobicContact CD1-CZ3 4.22Å; I42-Q210 HydrophobicContact CD1-CB 3.79Å; I42-Q210 HydrophobicContact CG1-CB 4.02Å; I42-F217 HydrophobicContact CD1-CB 3.81Å |
| 43 | H | 98.4 | Very high | 97.9 | Very high | 20 Ų | 20 | 39.8 Ų | 39.8 | 9% | 0.093 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -86.4 | 2.6 | -176.2 | -54.9 | -67.3 | 0 | 0 | 0 | 113.6 | N39 L40 S41 F217 K220 S221 L279 V280 I282 | N39-H43 PolarHBondContact ND2-NE2 3.48Å; N39-H43 VanDerWaalsContact ND2-NE2 3.18Å; N39-H43 PolarHBondContact O-CD2 2.63Å; L40-H43 CarbonylContact O-C 3.43Å; L40-H43 PolarHBondContact O-N 2.84Å; S41-H43 PolarHBondContact O-N 3.09Å; H43-F217 PolarHBondContact CE1-O 2.88Å; H43-F217 PolarHBondContact NE2-O 3.31Å; H43-K220 PolarHBondContact NE2-O 3Å; H43-K220 VanDerWaalsContact NE2-O 3.15Å; H43-S221 VanDerWaalsContact CD2-CA 3.47Å; H43-S221 WeakPolarHBondContact CD2-CA 3.46Å; H43-S221 VanDerWaalsContact CD2-CB 3.44Å; H43-S221 WeakPolarHBondContact CD2-CB 3.44Å; H43-S221 WeakPolarHBondContact NE2-CA 3.49Å; H43-L279 HydrophobicContact CB-CD1 3.53Å; H43-V280 PolarHBondContact O-N 2.91Å; H43-I282 WeakPolarHBondContact CE1-CG2 3.46Å; H43-I282 WeakPolarHBondContact ND1-CG2 3.31Å |
| 44 | C | 98.1 | Very high | 97.9 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 3% | 0.027 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -114.4 | 11.8 | 172 | -63.6 | 0 | 0 | 0 | 0 | 111.5 | L40 S41 I42 E46 R277 | L40-C44 WeakPolarHBondContact O-CB 3.44Å; L40-C44 PolarHBondContact O-N 2.98Å; L40-C44 PolarHBondContact O-SG 3.45Å; S41-C44 CarbonylContact O-C 3.6Å; S41-C44 PolarHBondContact O-N 3.44Å; S41-C44 VanDerWaalsContact O-N 3.1Å; I42-C44 VanDerWaalsContact C-N 3.27Å; I42-C44 PolarHBondContact O-N 2.84Å; C44-E46 HydrophobicContact CB-CG 4.07Å; C44-E46 PolarHBondContact O-N 3.15Å; C44-R277 HydrophobicContact CB-CB 4.15Å; C44-R277 WeakPolarHBondContact O-CD 3.38Å |
| 45 | E | 96.3 | Very high | 97.9 | Very high | 166 Ų | 166 | 40.4 Ų | 40.4 | 78% | 0.776 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 31.6 | -174.7 | -55 | 179.8 | 179.3 | 0 | 0 | 113.3 | S41 I42 R277 | S41-E45 PolarHBondContact O-N 2.66Å; I42-E45 PolarHBondContact O-N 3.41Å; E45-R277 PolarHBondContact O-NH1 3.35Å |
| 46 | E | 97.1 | Very high | 97.9 | Very high | 35 Ų | 35 | 40.4 Ų | 40.4 | 16% | 0.164 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -100.8 | 130.7 | 173.8 | -60.5 | 172.5 | 172.5 | 0 | 0 | 109.5 | S41 C44 R64 | S41-E46 CarbonylContact C-O 3.59Å; S41-E46 VanDerWaalsContact C-O 3.29Å; S41-E46 WeakPolarHBondContact CB-OE2 3.47Å; S41-E46 WeakPolarHBondContact O-CA 3.24Å; S41-E46 WeakPolarHBondContact O-CB 3.4Å; S41-E46 PolarHBondContact O-N 3.32Å; S41-E46 VanDerWaalsContact O-O 3.06Å; S41-E46 PolarHBondContact OG-OE2 2.93Å; C44-E46 HydrophobicContact CB-CG 4.07Å; C44-E46 PolarHBondContact O-N 3.15Å; E46-R64 IonicContact OE2-NH1 3.1Å; E46-R64 PolarHBondContact OE2-NH1 3.3Å |
| 47 | K | 96.2 | Very high | 97.9 | Very high | 164 Ų | 164 | 43.3 Ų | 43.3 | 71% | 0.713 | 21% | 0.21 | S | C | * | . | P | Polyproline II helix | trans | -74.4 | 132.7 | 175.6 | -174.3 | 176.6 | -178.5 | 178.4 | 0 | 110.6 | T49 | K47-T49 HydrophobicContact CG-CG2 4.44Š|
| 48 | I | 97.2 | Very high | 97.9 | Very high | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.015 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -84 | 131.5 | 168.7 | -60 | 174.6 | 0 | 0 | 0 | 109.2 | I42 W67 E70 Q210 | I42-I48 HydrophobicContact CD1-CD1 4.08Å; I42-I48 HydrophobicContact CG1-CD1 3.76Å; I42-I48 HydrophobicContact CG1-CG1 4.43Å; I48-W67 HydrophobicContact CB-CZ2 4.04Å; I48-W67 HydrophobicContact CD1-CD2 4.05Å; I48-W67 HydrophobicContact CD1-CE3 4.23Å; I48-W67 HydrophobicContact CD1-CH2 4.27Å; I48-W67 HydrophobicContact CD1-CZ2 4.09Å; I48-W67 HydrophobicContact CD1-CZ3 4.33Å; I48-W67 HydrophobicContact CG2-CZ2 3.65Å; I48-E70 HydrophobicContact CG2-CG 3.93Å; I48-Q210 PolarHBondContact O-NE2 2.79Å; I48-Q210 PolarHBondContact O-OE1 3.44Å |
| 49 | T | 95.6 | Very high | 97.9 | Very high | 36 Ų | 36 | 43.7 Ų | 43.7 | 22% | 0.221 | 21% | 0.212 | C | C | . | . | trans | -123 | 153 | -179 | 69.6 | 0 | 0 | 0 | 0 | 111.2 | K47 E51 H54 | K47-T49 HydrophobicContact CG-CG2 4.44Å; T49-E51 VanDerWaalsContact C-N 3.31Å; T49-H54 PolarHBondContact OG1-ND1 3.46Å; T49-H54 VanDerWaalsContact OG1-ND1 3.14Å | ||
| 50 | L | 96.8 | Very high | 97.9 | Very high | 17 Ų | 17 | 44.1 Ų | 44.1 | 9% | 0.089 | 21% | 0.214 | C | C | . | . | trans | -91.6 | 9.1 | 175.3 | -58.1 | -178 | 0 | 0 | 0 | 113.4 | L52 M69 Q73 M199 F202 R203 C206 | L50-L52 PolarHBondContact O-N 2.88Å; L50-M69 HydrophobicContact CD2-CB 3.63Å; L50-M69 HydrophobicContact CD2-CG 4.37Å; L50-M69 HydrophobicContact CD2-SD 3.97Å; L50-Q73 PolarHBondContact O-NE2 2.84Å; L50-Q73 PolarHBondContact O-OE1 3.12Å; L50-M199 WeakPolarHBondContact CD1-O 3.3Å; L50-F202 HydrophobicContact CD1-CB 4.01Å; L50-R203 HydrophobicContact CD1-CG 4.46Å; L50-C206 HydrophobicContact CD1-CB 3.91Å; L50-C206 HydrophobicContact CD2-CB 4.13Å; L50-C206 HydrophobicContact CG-CB 4.04Å | ||
| 51 | E | 97.8 | Very high | 97.9 | Very high | 92 Ų | 92 | 50.6 Ų | 50.6 | 43% | 0.43 | 24% | 0.239 | S | C | . | . | trans | -75.6 | 116.4 | 177.7 | -59.5 | -54.8 | 144.7 | 0 | 0 | 109.5 | T49 D53 H54 I55 R203 | T49-E51 VanDerWaalsContact C-N 3.31Å; E51-D53 VanDerWaalsContact C-N 3.27Å; E51-D53 PolarHBondContact O-N 3.4Å; E51-H54 HydrophobicContact CB-CB 4.38Å; E51-H54 WeakPolarHBondContact O-CB 3.46Å; E51-H54 PolarHBondContact O-N 3.09Å; E51-I55 PolarHBondContact O-N 3.32Å; E51-I55 VanDerWaalsContact O-N 3.09Å; E51-R203 IonicContact OE1-NH1 2.9Å | ||
| 52 | L | 98.2 | Very high | 97.9 | Very high | 36 Ų | 36 | 54.5 Ų | 54.5 | 19% | 0.188 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61 | -34.4 | -170.8 | 179.3 | 58.7 | 0 | 0 | 0 | 112.8 | M1 L50 H54 I55 Y56 Q73 W77 | M1-L52 HydrophobicContact CE-CD2 3.68Å; M1-L52 HydrophobicContact CE-CG 3.86Å; M1-L52 HydrophobicContact SD-CD1 4.3Å; M1-L52 HydrophobicContact SD-CD2 3.85Å; M1-L52 HydrophobicContact SD-CG 3.58Å; M1-L52 VanDerWaalsContact SD-CG 3.58Å; L50-L52 PolarHBondContact O-N 2.88Å; L52-H54 VanDerWaalsContact C-N 3.32Å; L52-H54 PolarHBondContact O-N 3.34Å; L52-I55 PolarHBondContact O-N 3.49Å; L52-Y56 VanDerWaalsContact O-CB 3.24Å; L52-Y56 WeakPolarHBondContact O-CB 3.31Å; L52-Y56 PolarHBondContact O-N 2.72Å; L52-Q73 HydrophobicContact CD1-CG 4.21Å; L52-W77 HydrophobicContact CD1-CB 4.24Å; L52-W77 HydrophobicContact CD2-CB 3.86Å; L52-W77 HydrophobicContact CD2-CG 3.73Å |
| 53 | D | 98.4 | Very high | 97.9 | Very high | 107 Ų | 107 | 58.2 Ų | 58.2 | 57% | 0.572 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -64.2 | -36.8 | 176.3 | -75.9 | -36.1 | 0 | 0 | 0 | 112.4 | M1 E51 N57 | M1-D53 WeakPolarHBondContact CE-OD1 3.46Å; E51-D53 VanDerWaalsContact C-N 3.27Å; E51-D53 PolarHBondContact O-N 3.4Å; D53-N57 WeakPolarHBondContact O-CB 3.45Å; D53-N57 PolarHBondContact O-N 3.34Å |
| 54 | H | 98.2 | Very high | 97.9 | Very high | 111 Ų | 111 | 57.7 Ų | 57.7 | 51% | 0.514 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -68.6 | -44.8 | 175.1 | -65.9 | 175.8 | 0 | 0 | 0 | 111.1 | T49 E51 L52 N57 K58 | T49-H54 PolarHBondContact OG1-ND1 3.46Å; T49-H54 VanDerWaalsContact OG1-ND1 3.14Å; E51-H54 HydrophobicContact CB-CB 4.38Å; E51-H54 WeakPolarHBondContact O-CB 3.46Å; E51-H54 PolarHBondContact O-N 3.09Å; L52-H54 VanDerWaalsContact C-N 3.32Å; L52-H54 PolarHBondContact O-N 3.34Å; H54-N57 PolarHBondContact O-N 3.11Å; H54-K58 VanDerWaalsContact O-CB 3.31Å; H54-K58 WeakPolarHBondContact O-CB 3.24Å; H54-K58 PolarHBondContact O-N 3.07Å |
| 55 | I | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.1 | -48.1 | 177.9 | -68.1 | 166.9 | 0 | 0 | 0 | 110.3 | E51 L52 N57 K58 I59 E70 L74 | E51-I55 PolarHBondContact O-N 3.32Å; E51-I55 VanDerWaalsContact O-N 3.09Å; L52-I55 PolarHBondContact O-N 3.49Å; I55-N57 PolarHBondContact O-N 2.87Å; I55-K58 PolarHBondContact O-N 2.94Å; I55-I59 HydrophobicContact CG2-CD1 3.77Å; I55-I59 HydrophobicContact CG2-CG1 4.48Å; I55-I59 WeakPolarHBondContact O-CB 3.45Å; I55-I59 PolarHBondContact O-N 3.47Å; I55-E70 HydrophobicContact CD1-CB 4.38Å; I55-E70 HydrophobicContact CD1-CG 4.2Å; I55-E70 HydrophobicContact CG1-CB 4.23Å; I55-E70 HydrophobicContact CG1-CG 3.99Å; I55-E70 HydrophobicContact CG2-CB 4.04Å; I55-E70 WeakPolarHBondContact CG2-O 3.31Å; I55-L74 HydrophobicContact CG2-CB 4.15Å |
| 56 | Y | 98.8 | Very high | 98 | Very high | 3 Ų | 3 | 49.6 Ų | 49.6 | 1% | 0.012 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.3 | -48.1 | 177.3 | 177.9 | -83.6 | 0 | 0 | 0 | 110.9 | M1 N2 E5 L52 K58 V60 R61 L74 W77 | M1-Y56 HydrophobicContact CB-CD1 4.34Å; M1-Y56 HydrophobicContact CB-CD2 3.71Å; M1-Y56 HydrophobicContact CB-CE1 4.35Å; M1-Y56 HydrophobicContact CB-CE2 3.68Å; M1-Y56 HydrophobicContact CB-CG 4.04Å; M1-Y56 HydrophobicContact CG-CD1 3.85Å; M1-Y56 HydrophobicContact CG-CD2 3.63Å; M1-Y56 HydrophobicContact CG-CE1 4.33Å; M1-Y56 HydrophobicContact CG-CE2 4.1Å; M1-Y56 HydrophobicContact CG-CG 3.49Å; M1-Y56 VanDerWaalsContact CG-CG 3.49Å; M1-Y56 HydrophobicContact SD-CD2 3.99Å; M1-Y56 HydrophobicContact SD-CG 4Å; N2-Y56 PolarHBondContact N-OH 3.41Å; N2-Y56 PolarHBondContact O-OH 2.77Å; E5-Y56 WeakPolarHBondContact CB-OH 3.41Å; E5-Y56 VanDerWaalsContact CD-OH 3.23Å; E5-Y56 WeakPolarHBondContact OE2-CE1 3.12Å; E5-Y56 PolarHBondContact OE2-OH 3.2Å; L52-Y56 VanDerWaalsContact O-CB 3.24Å; L52-Y56 WeakPolarHBondContact O-CB 3.31Å; L52-Y56 PolarHBondContact O-N 2.72Å; Y56-K58 PolarHBondContact O-N 2.84Å; Y56-V60 HydrophobicContact CD1-CB 4.47Å; Y56-V60 HydrophobicContact CD2-CB 4.39Å; Y56-V60 HydrophobicContact CD2-CG2 3.8Å; Y56-V60 HydrophobicContact CE1-CB 4.28Å; Y56-V60 HydrophobicContact CE1-CG1 4.4Å; Y56-V60 HydrophobicContact CE2-CB 4.23Å; Y56-V60 HydrophobicContact CE2-CG1 4.27Å; Y56-V60 HydrophobicContact CE2-CG2 3.85Å; Y56-V60 HydrophobicContact CG-CB 4.5Å; Y56-V60 HydrophobicContact CG-CG2 4.23Å; Y56-V60 WeakPolarHBondContact O-CA 3.22Å; Y56-V60 WeakPolarHBondContact O-CB 3.28Å; Y56-V60 PolarHBondContact O-N 3.12Å; Y56-R61 HydrophobicContact CE1-CG 4.37Å; Y56-L74 HydrophobicContact CD2-CD1 4.04Å; Y56-W77 HydrophobicContact CD2-CH2 4.29Å; Y56-W77 HydrophobicContact CD2-CZ3 4.09Å; Y56-W77 AromaticContact CE2-CH2 3.94Å; Y56-W77 HydrophobicContact CE2-CH2 3.94Å; Y56-W77 AromaticContact CE2-CZ3 3.98Å; Y56-W77 HydrophobicContact CE2-CZ3 3.98Å |
| 57 | N | 98.6 | Very high | 98 | Very high | 61 Ų | 61 | 47.9 Ų | 47.9 | 33% | 0.326 | 22% | 0.221 | S | C | . | . | I | π-helix | trans | -61.7 | -44.3 | 178.6 | -170.2 | 40.7 | 0 | 0 | 0 | 111.9 | D53 H54 I55 R61 K62 | D53-N57 WeakPolarHBondContact O-CB 3.45Å; D53-N57 PolarHBondContact O-N 3.34Å; H54-N57 PolarHBondContact O-N 3.11Å; I55-N57 PolarHBondContact O-N 2.87Å; N57-R61 WeakPolarHBondContact O-CB 3.49Å; N57-R61 PolarHBondContact O-N 3.45Å; N57-R61 VanDerWaalsContact O-N 3.16Å; N57-R61 VanDerWaalsContact OD1-CD 3.25Å; N57-R61 WeakPolarHBondContact OD1-CD 3.1Å; N57-K62 PolarHBondContact O-N 2.92Å |
| 58 | K | 98.6 | Very high | 98.1 | Very high | 22 Ų | 22 | 40.2 Ų | 40.2 | 10% | 0.096 | 19% | 0.188 | C | C | . | . | I | π-helix | trans | -60 | -58.2 | 176.9 | 177.1 | -178.8 | 173.9 | -167.9 | 0 | 111.2 | E38 S41 H54 I55 Y56 K62 K63 R64 G65 E70 | E38-K58 IonicContact OE1-NZ 3.76Å; S41-K58 PolarHBondContact OG-NZ 3.46Å; H54-K58 VanDerWaalsContact O-CB 3.31Å; H54-K58 WeakPolarHBondContact O-CB 3.24Å; H54-K58 PolarHBondContact O-N 3.07Å; I55-K58 PolarHBondContact O-N 2.94Å; Y56-K58 PolarHBondContact O-N 2.84Å; K58-K62 CarbonylContact O-C 3.54Å; K58-K62 WeakPolarHBondContact O-CB 3.3Å; K58-K62 PolarHBondContact O-N 3Å; K58-K63 PolarHBondContact O-N 3.39Å; K58-R64 HydrophobicContact CG-CB 3.64Å; K58-R64 HydrophobicContact CG-CG 4.13Å; K58-R64 WeakPolarHBondContact O-CB 3.36Å; K58-R64 PolarHBondContact O-N 3.49Å; K58-R64 VanDerWaalsContact O-N 3.11Å; K58-G65 WeakPolarHBondContact CE-O 3.24Å; K58-E70 WeakPolarHBondContact CD-OE1 3.05Å; K58-E70 VanDerWaalsContact NZ-CD 3.32Å; K58-E70 IonicContact NZ-OE1 2.73Å; K58-E70 PolarHBondContact NZ-OE1 2.94Å; K58-E70 IonicContact NZ-OE2 2.75Å; K58-E70 PolarHBondContact NZ-OE2 3.07Å; K58-E70 VanDerWaalsContact NZ-OE2 3.09Å |
| 59 | I | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | I | π-helix | trans | -74.4 | -47.5 | -171.6 | -67.1 | 176.8 | 0 | 0 | 0 | 111.8 | R9 V35 I55 K63 G65 E70 L74 | R9-I59 WeakPolarHBondContact CD-O 3.36Å; R9-I59 PolarHBondContact NE-O 3.04Å; V35-I59 HydrophobicContact CB-CG2 4.37Å; V35-I59 HydrophobicContact CG1-CD1 4.35Å; V35-I59 HydrophobicContact CG1-CG2 3.53Å; V35-I59 HydrophobicContact CG2-CG2 3.86Å; I55-I59 HydrophobicContact CG2-CD1 3.77Å; I55-I59 HydrophobicContact CG2-CG1 4.48Å; I55-I59 WeakPolarHBondContact O-CB 3.45Å; I55-I59 PolarHBondContact O-N 3.47Å; I59-K63 WeakPolarHBondContact O-CA 3.35Å; I59-K63 PolarHBondContact O-N 3.36Å; I59-G65 WeakPolarHBondContact CG1-O 3.15Å; I59-E70 HydrophobicContact CD1-CB 4.2Å; I59-L74 HydrophobicContact CB-CD2 3.82Å; I59-L74 HydrophobicContact CD1-CD2 3.98Å; I59-L74 HydrophobicContact CG1-CD2 4.5Å; I59-L74 HydrophobicContact CG2-CD2 3.41Å; I59-L74 VanDerWaalsContact CG2-CD2 3.41Å |
| 60 | V | 98.8 | Very high | 98.3 | Very high | 10 Ų | 10 | 38.6 Ų | 38.6 | 6% | 0.061 | 18% | 0.178 | C | C | . | . | I | π-helix | trans | -81.8 | -53.1 | -171.9 | -177.2 | 0 | 0 | 0 | 0 | 111.2 | E5 Y6 R9 Y56 L74 | E5-V60 HydrophobicContact CB-CG1 3.79Å; E5-V60 WeakPolarHBondContact O-CG1 3.21Å; Y6-V60 HydrophobicContact CD2-CG2 4.29Å; R9-V60 HydrophobicContact CB-CG1 4.02Å; Y56-V60 HydrophobicContact CD1-CB 4.47Å; Y56-V60 HydrophobicContact CD2-CB 4.39Å; Y56-V60 HydrophobicContact CD2-CG2 3.8Å; Y56-V60 HydrophobicContact CE1-CB 4.28Å; Y56-V60 HydrophobicContact CE1-CG1 4.4Å; Y56-V60 HydrophobicContact CE2-CB 4.23Å; Y56-V60 HydrophobicContact CE2-CG1 4.27Å; Y56-V60 HydrophobicContact CE2-CG2 3.85Å; Y56-V60 HydrophobicContact CG-CB 4.5Å; Y56-V60 HydrophobicContact CG-CG2 4.23Å; Y56-V60 WeakPolarHBondContact O-CA 3.22Å; Y56-V60 WeakPolarHBondContact O-CB 3.28Å; Y56-V60 PolarHBondContact O-N 3.12Å; V60-L74 HydrophobicContact CG2-CD1 4.32Å; V60-L74 HydrophobicContact CG2-CD2 4.11Å |
| 61 | R | 98.4 | Very high | 98.4 | Very high | 140 Ų | 140 | 37.8 Ų | 37.8 | 53% | 0.528 | 17% | 0.174 | S | C | . | . | I | π-helix | trans | -85.5 | -41.1 | -171.7 | -63.5 | 175.9 | 170.8 | 177.3 | -7.2 | 112.9 | E5 Y56 N57 K63 | E5-R61 IonicContact OE1-CZ 3.61Å; E5-R61 IonicContact OE1-NE 2.91Å; E5-R61 IonicContact OE1-NH2 3.4Å; E5-R61 PolarHBondContact OE1-NH2 3.17Å; E5-R61 VanDerWaalsContact OE1-NH2 3.09Å; E5-R61 IonicContact OE2-CZ 3.39Å; E5-R61 IonicContact OE2-NE 3.09Å; E5-R61 PolarHBondContact OE2-NE 3.42Å; E5-R61 IonicContact OE2-NH2 3.89Å; E5-R61 PolarHBondContact OE2-NH2 3.45Å; Y56-R61 HydrophobicContact CE1-CG 4.37Å; N57-R61 WeakPolarHBondContact O-CB 3.49Å; N57-R61 PolarHBondContact O-N 3.45Å; N57-R61 VanDerWaalsContact O-N 3.16Å; N57-R61 VanDerWaalsContact OD1-CD 3.25Å; N57-R61 WeakPolarHBondContact OD1-CD 3.1Å; R61-K63 VanDerWaalsContact C-N 3.31Å |
| 62 | K | 98.1 | Very high | 98.4 | Very high | 86 Ų | 86 | 33.4 Ų | 33.4 | 37% | 0.374 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -87.7 | 3.1 | 176.8 | -56.7 | -173.4 | 178 | -166.8 | 0 | 113.8 | N57 K58 R64 E276 | N57-K62 PolarHBondContact O-N 2.92Å; K58-K62 CarbonylContact O-C 3.54Å; K58-K62 WeakPolarHBondContact O-CB 3.3Å; K58-K62 PolarHBondContact O-N 3Å; K62-R64 HydrophobicContact CB-CG 4.27Å; K62-R64 PolarHBondContact O-N 2.85Å; K62-R64 VanDerWaalsContact O-N 3.09Å; K62-E276 WeakPolarHBondContact CD-OE1 3.18Å; K62-E276 WeakPolarHBondContact CE-OE1 3.17Å; K62-E276 IonicContact NZ-OE1 3.77Å; K62-E276 PolarHBondContact NZ-OE1 3.42Å; K62-E276 IonicContact NZ-OE2 3.64Å; K62-E276 PolarHBondContact NZ-OE2 2.92Å |
| 63 | K | 98.3 | Very high | 98.4 | Very high | 109 Ų | 109 | 32.4 Ų | 32.4 | 47% | 0.474 | 15% | 0.148 | S | C | . | . | trans | 53.7 | 26.7 | 179.7 | -56.8 | -174.8 | -179.5 | -178.7 | 0 | 114.5 | R9 K58 I59 R61 | R9-K63 PolarHBondContact NH2-O 3.36Å; K58-K63 PolarHBondContact O-N 3.39Å; I59-K63 WeakPolarHBondContact O-CA 3.35Å; I59-K63 PolarHBondContact O-N 3.36Å; R61-K63 VanDerWaalsContact C-N 3.31Å | ||
| 64 | R | 98.5 | Very high | 98.5 | Very high | 8 Ų | 8 | 27.3 Ų | 27.3 | 3% | 0.03 | 12% | 0.12 | C | C | . | . | trans | -78.4 | -179.4 | 174.5 | -70.2 | -74.6 | -58.3 | -81.2 | -8.3 | 111.2 | R9 E38 S41 E46 K58 K62 T274 | R9-R64 PolarHBondContact NH2-O 3.15Å; E38-R64 IonicContact OE1-CZ 3.52Å; E38-R64 IonicContact OE1-NE 3.6Å; E38-R64 PolarHBondContact OE1-NE 3.25Å; E38-R64 IonicContact OE1-NH2 3.83Å; E38-R64 PolarHBondContact OE1-NH2 3.35Å; E38-R64 IonicContact OE2-NH2 3.71Å; E38-R64 PolarHBondContact OE2-NH2 2.81Å; E38-R64 VanDerWaalsContact OE2-NH2 3.11Å; S41-R64 PolarHBondContact OG-NH2 3.13Å; E46-R64 IonicContact OE2-NH1 3.1Å; E46-R64 PolarHBondContact OE2-NH1 3.3Å; K58-R64 HydrophobicContact CG-CB 3.64Å; K58-R64 HydrophobicContact CG-CG 4.13Å; K58-R64 WeakPolarHBondContact O-CB 3.36Å; K58-R64 PolarHBondContact O-N 3.49Å; K58-R64 VanDerWaalsContact O-N 3.11Å; K62-R64 HydrophobicContact CB-CG 4.27Å; K62-R64 PolarHBondContact O-N 2.85Å; K62-R64 VanDerWaalsContact O-N 3.09Å; R64-T274 WeakPolarHBondContact CD-O 3.49Å | ||
| 65 | G | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.096 | C | C | . | . | trans | -109.2 | -154.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | P36 E38 K58 I59 | P36-G65 WeakPolarHBondContact O-CA 3.45Å; E38-G65 VanDerWaalsContact OE1-C 3.25Å; E38-G65 PolarHBondContact OE1-N 3.43Å; E38-G65 VanDerWaalsContact OE1-N 3.16Å; E38-G65 VanDerWaalsContact OE1-O 3.12Å; K58-G65 WeakPolarHBondContact CE-O 3.24Å; I59-G65 WeakPolarHBondContact CG1-O 3.15Å | ||
| 66 | G | 98.2 | Very high | 98.5 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.096 | C | C | . | . | B | Isolated β-bridge | trans | -170.8 | 179.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | P36 F37 E38 E70 N71 | P36-G66 PolarHBondContact O-N 3.46Å; P36-G66 VanDerWaalsContact O-N 3.14Å; F37-G66 CarbonylContact C-O 3.46Å; F37-G66 VanDerWaalsContact CA-O 3.3Å; F37-G66 WeakPolarHBondContact CA-O 3.44Å; E38-G66 PolarHBondContact N-O 2.8Å; E38-G66 CarbonylContact O-C 3.58Å; E38-G66 WeakPolarHBondContact O-CA 3.45Å; G66-E70 WeakPolarHBondContact CA-OE2 3.49Å; G66-N71 PolarHBondContact N-ND2 3Å; G66-N71 PolarHBondContact O-ND2 2.8Å |
| 67 | W | 97.5 | Very high | 98.5 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | trans | -82.7 | -173.4 | 172.1 | 63.7 | 1.1 | 0 | 0 | 0 | 111 | F37 E38 I42 I48 M69 E70 N71 C206 L209 Q210 F217 | F37-W67 HydrophobicContact CE2-CB 4.1Å; E38-W67 PolarHBondContact O-N 2.77Å; I42-W67 HydrophobicContact CD1-CZ3 4.22Å; I48-W67 HydrophobicContact CB-CZ2 4.04Å; I48-W67 HydrophobicContact CD1-CD2 4.05Å; I48-W67 HydrophobicContact CD1-CE3 4.23Å; I48-W67 HydrophobicContact CD1-CH2 4.27Å; I48-W67 HydrophobicContact CD1-CZ2 4.09Å; I48-W67 HydrophobicContact CD1-CZ3 4.33Å; I48-W67 HydrophobicContact CG2-CZ2 3.65Å; W67-M69 VanDerWaalsContact C-N 3.28Å; W67-M69 HydrophobicContact CZ2-SD 4.49Å; W67-M69 PolarHBondContact O-N 2.95Å; W67-M69 VanDerWaalsContact O-N 3.17Å; W67-E70 PolarHBondContact N-OE2 2.89Å; W67-E70 VanDerWaalsContact N-OE2 3.14Å; W67-E70 PolarHBondContact O-N 3.19Å; W67-N71 PolarHBondContact O-N 2.83Å; W67-C206 WeakPolarHBondContact CH2-O 3.46Å; W67-C206 HydrophobicContact CZ2-CB 4.39Å; W67-L209 HydrophobicContact CH2-CB 3.82Å; W67-L209 HydrophobicContact CZ3-CB 3.61Å; W67-Q210 HydrophobicContact CH2-CB 3.89Å; W67-Q210 HydrophobicContact CZ3-CB 4.31Å; W67-F217 HydrophobicContact CE3-CD1 4.21Å; W67-F217 HydrophobicContact CE3-CD2 4.01Å; W67-F217 HydrophobicContact CE3-CE1 4.39Å; W67-F217 HydrophobicContact CE3-CE2 4.2Å; W67-F217 HydrophobicContact CE3-CG 4.01Å; W67-F217 HydrophobicContact CE3-CZ 4.38Å; W67-F217 HydrophobicContact CZ3-CB 4.38Å; W67-F217 HydrophobicContact CZ3-CD2 4.05Å; W67-F217 HydrophobicContact CZ3-CG 4.18Å | ||
| 68 | C | 98.3 | Very high | 98.5 | Very high | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.02 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -54.4 | -40.4 | -173.1 | 65 | 0 | 0 | 0 | 0 | 114.2 | E70 N72 H107 G124 | C68-E70 VanDerWaalsContact C-N 3.31Å; C68-E70 PolarHBondContact O-N 2.82Å; C68-N72 VanDerWaalsContact O-CB 3.28Å; C68-N72 WeakPolarHBondContact O-CB 3.35Å; C68-N72 PolarHBondContact O-N 2.9Å; C68-H107 WeakPolarHBondContact CB-CE1 3.43Å; C68-H107 WeakPolarHBondContact CB-ND1 3.36Å; C68-H107 PolarHBondContact SG-ND1 3.1Å; C68-H107 VanDerWaalsContact SG-ND1 3.39Å; C68-G124 WeakPolarHBondContact CA-O 3.23Å; C68-G124 VanDerWaalsContact CB-O 3.23Å; C68-G124 WeakPolarHBondContact CB-O 3.09Å |
| 69 | M | 98.4 | Very high | 98.5 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -68.8 | -30.7 | -178.1 | -57.2 | 177.7 | -170.8 | 0 | 0 | 112 | L50 W67 Q73 L108 F202 Q205 C206 L209 | L50-M69 HydrophobicContact CD2-CB 3.63Å; L50-M69 HydrophobicContact CD2-CG 4.37Å; L50-M69 HydrophobicContact CD2-SD 3.97Å; W67-M69 VanDerWaalsContact C-N 3.28Å; W67-M69 HydrophobicContact CZ2-SD 4.49Å; W67-M69 PolarHBondContact O-N 2.95Å; W67-M69 VanDerWaalsContact O-N 3.17Å; M69-Q73 WeakPolarHBondContact O-CB 3.18Å; M69-Q73 PolarHBondContact O-N 2.95Å; M69-Q73 PolarHBondContact O-OE1 2.92Å; M69-L108 HydrophobicContact CG-CB 4.42Å; M69-F202 HydrophobicContact CE-CB 4.27Å; M69-F202 HydrophobicContact CE-CD1 3.85Å; M69-F202 HydrophobicContact CE-CG 4.49Å; M69-F202 HydrophobicContact SD-CB 3.99Å; M69-F202 HydrophobicContact SD-CD1 4.42Å; M69-Q205 HydrophobicContact CE-CB 3.93Å; M69-C206 HydrophobicContact SD-CB 3.74Å; M69-L209 HydrophobicContact CE-CD1 3.73Å |
| 70 | E | 98.8 | Very high | 98.4 | Very high | 4 Ų | 4 | 24.8 Ų | 24.8 | 2% | 0.019 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -82.3 | -48.6 | 177.5 | -63 | 174.8 | 103.9 | 0 | 0 | 110.7 | I48 I55 K58 I59 G66 W67 C68 L74 | I48-E70 HydrophobicContact CG2-CG 3.93Å; I55-E70 HydrophobicContact CD1-CB 4.38Å; I55-E70 HydrophobicContact CD1-CG 4.2Å; I55-E70 HydrophobicContact CG1-CB 4.23Å; I55-E70 HydrophobicContact CG1-CG 3.99Å; I55-E70 HydrophobicContact CG2-CB 4.04Å; I55-E70 WeakPolarHBondContact CG2-O 3.31Å; K58-E70 WeakPolarHBondContact CD-OE1 3.05Å; K58-E70 VanDerWaalsContact NZ-CD 3.32Å; K58-E70 IonicContact NZ-OE1 2.73Å; K58-E70 PolarHBondContact NZ-OE1 2.94Å; K58-E70 IonicContact NZ-OE2 2.75Å; K58-E70 PolarHBondContact NZ-OE2 3.07Å; K58-E70 VanDerWaalsContact NZ-OE2 3.09Å; I59-E70 HydrophobicContact CD1-CB 4.2Å; G66-E70 WeakPolarHBondContact CA-OE2 3.49Å; W67-E70 PolarHBondContact N-OE2 2.89Å; W67-E70 VanDerWaalsContact N-OE2 3.14Å; W67-E70 PolarHBondContact O-N 3.19Å; C68-E70 VanDerWaalsContact C-N 3.31Å; C68-E70 PolarHBondContact O-N 2.82Å; E70-L74 WeakPolarHBondContact O-CB 3.15Å; E70-L74 PolarHBondContact O-N 2.88Å; E70-L74 VanDerWaalsContact O-N 3.07Å |
| 71 | N | 98.3 | Very high | 98.4 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.7 | -55.4 | -180 | -100.2 | -70.2 | 0 | 0 | 0 | 111.7 | H31 V35 P36 G66 W67 Q73 L74 L75 | H31-N71 PolarHBondContact NE2-OD1 2.89Å; H31-N71 VanDerWaalsContact NE2-OD1 3.08Å; V35-N71 WeakPolarHBondContact CG1-OD1 3.25Å; P36-N71 PolarHBondContact O-ND2 2.87Å; G66-N71 PolarHBondContact N-ND2 3Å; G66-N71 PolarHBondContact O-ND2 2.8Å; W67-N71 PolarHBondContact O-N 2.83Å; N71-Q73 PolarHBondContact O-N 2.85Å; N71-L74 PolarHBondContact O-N 3.18Å; N71-L75 WeakPolarHBondContact O-CB 3.49Å; N71-L75 PolarHBondContact O-N 2.82Å |
| 72 | N | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -75 | -25.7 | -174.8 | -70.5 | -32.4 | 0 | 0 | 0 | 112.6 | C68 G76 F88 L108 V110 D122 G123 | C68-N72 VanDerWaalsContact O-CB 3.28Å; C68-N72 WeakPolarHBondContact O-CB 3.35Å; C68-N72 PolarHBondContact O-N 2.9Å; N72-G76 PolarHBondContact O-N 2.96Å; N72-F88 WeakPolarHBondContact O-CE1 3.41Å; N72-L108 HydrophobicContact CB-CB 4.46Å; N72-L108 HydrophobicContact CB-CD2 3.88Å; N72-L108 HydrophobicContact CB-CG 3.95Å; N72-L108 PolarHBondContact ND2-O 2.75Å; N72-V110 HydrophobicContact CB-CG2 4.05Å; N72-V110 WeakPolarHBondContact O-CG2 3.43Å; N72-D122 PolarHBondContact ND2-OD1 2.73Å; N72-G123 PolarHBondContact OD1-N 3.1Å |
| 73 | Q | 98.6 | Very high | 98.3 | Very high | 15 Ų | 15 | 25.9 Ų | 25.9 | 7% | 0.07 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68.4 | -43.3 | 171.6 | -172.6 | -176.3 | -2.1 | 0 | 0 | 111.4 | L50 L52 M69 N71 G76 W77 F88 L108 M199 | L50-Q73 PolarHBondContact O-NE2 2.84Å; L50-Q73 PolarHBondContact O-OE1 3.12Å; L52-Q73 HydrophobicContact CD1-CG 4.21Å; M69-Q73 WeakPolarHBondContact O-CB 3.18Å; M69-Q73 PolarHBondContact O-N 2.95Å; M69-Q73 PolarHBondContact O-OE1 2.92Å; N71-Q73 PolarHBondContact O-N 2.85Å; Q73-G76 PolarHBondContact O-N 3.45Å; Q73-W77 PolarHBondContact O-N 3.16Å; Q73-F88 HydrophobicContact CG-CZ 4.41Å; Q73-L108 HydrophobicContact CB-CD2 4.18Å; Q73-M199 HydrophobicContact CB-SD 3.96Å; Q73-M199 HydrophobicContact CG-CG 4.08Å; Q73-M199 HydrophobicContact CG-SD 3.66Å; Q73-M199 PolarHBondContact OE1-SD 3.45Å |
| 74 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.1 | -48.3 | 174 | 178.8 | 65.3 | 0 | 0 | 0 | 111.1 | Y6 I55 Y56 I59 V60 E70 N71 G76 W77 V78 | Y6-L74 HydrophobicContact CD2-CD1 4.48Å; Y6-L74 HydrophobicContact CD2-CD2 4.17Å; Y6-L74 HydrophobicContact CD2-CG 4.31Å; Y6-L74 HydrophobicContact CE2-CD2 4.13Å; Y6-L74 HydrophobicContact CE2-CG 4.25Å; I55-L74 HydrophobicContact CG2-CB 4.15Å; Y56-L74 HydrophobicContact CD2-CD1 4.04Å; I59-L74 HydrophobicContact CB-CD2 3.82Å; I59-L74 HydrophobicContact CD1-CD2 3.98Å; I59-L74 HydrophobicContact CG1-CD2 4.5Å; I59-L74 HydrophobicContact CG2-CD2 3.41Å; I59-L74 VanDerWaalsContact CG2-CD2 3.41Å; V60-L74 HydrophobicContact CG2-CD1 4.32Å; V60-L74 HydrophobicContact CG2-CD2 4.11Å; E70-L74 WeakPolarHBondContact O-CB 3.15Å; E70-L74 PolarHBondContact O-N 2.88Å; E70-L74 VanDerWaalsContact O-N 3.07Å; N71-L74 PolarHBondContact O-N 3.18Å; L74-G76 PolarHBondContact O-N 3.23Å; L74-W77 HydrophobicContact CD1-CE3 3.93Å; L74-W77 HydrophobicContact CD1-CZ3 4.33Å; L74-W77 WeakPolarHBondContact O-CB 3.43Å; L74-W77 PolarHBondContact O-N 2.8Å; L74-V78 WeakPolarHBondContact O-CG2 3.42Å; L74-V78 PolarHBondContact O-N 2.99Å |
| 75 | L | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.7 | -45.8 | 178.7 | -176 | 58.9 | 0 | 0 | 0 | 111.4 | F28 H31 N71 W77 V78 L79 V121 | F28-L75 HydrophobicContact CD2-CD2 3.88Å; F28-L75 HydrophobicContact CE2-CD2 4.22Å; H31-L75 HydrophobicContact CB-CD1 4.47Å; N71-L75 WeakPolarHBondContact O-CB 3.49Å; N71-L75 PolarHBondContact O-N 2.82Å; L75-W77 VanDerWaalsContact C-N 3.3Å; L75-W77 PolarHBondContact O-N 3.39Å; L75-V78 WeakPolarHBondContact O-CB 3.44Å; L75-V78 PolarHBondContact O-N 3.22Å; L75-V78 VanDerWaalsContact O-N 3.15Å; L75-L79 HydrophobicContact CD1-CD1 4.39Å; L75-L79 HydrophobicContact CD1-CG 4.29Å; L75-L79 HydrophobicContact CG-CD1 4.14Å; L75-L79 HydrophobicContact CG-CG 4.44Å; L75-L79 VanDerWaalsContact O-CG 3.31Å; L75-L79 WeakPolarHBondContact O-CG 3.43Å; L75-L79 PolarHBondContact O-N 3.11Å; L75-V121 HydrophobicContact CD2-CG1 3.63Å |
| 76 | G | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.4 | -35.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | N72 Q73 L74 K80 | N72-G76 PolarHBondContact O-N 2.96Å; Q73-G76 PolarHBondContact O-N 3.45Å; L74-G76 PolarHBondContact O-N 3.23Å; G76-K80 WeakPolarHBondContact O-CB 3.33Å; G76-K80 VanDerWaalsContact O-CG 3.26Å; G76-K80 WeakPolarHBondContact O-CG 3.18Å; G76-K80 PolarHBondContact O-N 3.17Å |
| 77 | W | 98.6 | Very high | 98.3 | Very high | 42 Ų | 42 | 27.2 Ų | 27.2 | 16% | 0.159 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63 | -46.1 | 171.9 | 167.7 | 80.1 | 0 | 0 | 0 | 111.9 | M1 L3 L52 Y56 Q73 L74 L75 R81 | M1-W77 HydrophobicContact CB-CH2 3.8Å; M1-W77 HydrophobicContact CB-CZ2 3.46Å; M1-W77 VanDerWaalsContact CB-CZ2 3.46Å; M1-W77 HydrophobicContact SD-CD2 4.35Å; M1-W77 HydrophobicContact SD-CZ2 4.3Å; L3-W77 HydrophobicContact CD2-CH2 4.05Å; L3-W77 HydrophobicContact CD2-CZ3 4.1Å; L3-W77 HydrophobicContact CG-CH2 4.39Å; L52-W77 HydrophobicContact CD1-CB 4.24Å; L52-W77 HydrophobicContact CD2-CB 3.86Å; L52-W77 HydrophobicContact CD2-CG 3.73Å; Y56-W77 HydrophobicContact CD2-CH2 4.29Å; Y56-W77 HydrophobicContact CD2-CZ3 4.09Å; Y56-W77 AromaticContact CE2-CH2 3.94Å; Y56-W77 HydrophobicContact CE2-CH2 3.94Å; Y56-W77 AromaticContact CE2-CZ3 3.98Å; Y56-W77 HydrophobicContact CE2-CZ3 3.98Å; Q73-W77 PolarHBondContact O-N 3.16Å; L74-W77 HydrophobicContact CD1-CE3 3.93Å; L74-W77 HydrophobicContact CD1-CZ3 4.33Å; L74-W77 WeakPolarHBondContact O-CB 3.43Å; L74-W77 PolarHBondContact O-N 2.8Å; L75-W77 VanDerWaalsContact C-N 3.3Å; L75-W77 PolarHBondContact O-N 3.39Å; W77-R81 WeakPolarHBondContact O-CB 3.47Å; W77-R81 PolarHBondContact O-N 3.3Å |
| 78 | V | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.5 | -51.8 | 177 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | L3 Y6 F7 I27 L74 L75 K80 R81 L82 | L3-V78 HydrophobicContact CD2-CB 4.31Å; L3-V78 HydrophobicContact CD2-CG1 3.97Å; L3-V78 HydrophobicContact CD2-CG2 4.2Å; Y6-V78 HydrophobicContact CD1-CG1 4.03Å; Y6-V78 HydrophobicContact CD1-CG2 3.68Å; Y6-V78 HydrophobicContact CD2-CG2 3.73Å; Y6-V78 HydrophobicContact CE1-CB 4.27Å; Y6-V78 HydrophobicContact CE1-CG1 3.7Å; Y6-V78 HydrophobicContact CE1-CG2 3.71Å; Y6-V78 HydrophobicContact CE2-CG2 3.74Å; Y6-V78 HydrophobicContact CG-CG2 3.69Å; F7-V78 HydrophobicContact CZ-CG1 4.37Å; I27-V78 HydrophobicContact CG2-CG1 4.5Å; L74-V78 WeakPolarHBondContact O-CG2 3.42Å; L74-V78 PolarHBondContact O-N 2.99Å; L75-V78 WeakPolarHBondContact O-CB 3.44Å; L75-V78 PolarHBondContact O-N 3.22Å; L75-V78 VanDerWaalsContact O-N 3.15Å; V78-K80 PolarHBondContact O-N 2.74Å; V78-R81 WeakPolarHBondContact O-CB 3.35Å; V78-R81 PolarHBondContact O-N 3.23Å; V78-R81 VanDerWaalsContact O-N 3.08Å; V78-L82 HydrophobicContact CG1-CD1 3.87Å; V78-L82 HydrophobicContact CG1-CG 4.41Å; V78-L82 WeakPolarHBondContact O-CG 3.38Å; V78-L82 PolarHBondContact O-N 3.29Å |
| 79 | L | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.7 | -44 | -176.5 | -64.2 | 178.7 | 0 | 0 | 0 | 112 | L24 L75 R81 L82 G83 Y84 A86 V110 V112 | L24-L79 HydrophobicContact CD1-CD1 3.86Å; L24-L79 HydrophobicContact CD1-CD2 3.38Å; L24-L79 HydrophobicContact CD1-CG 4.25Å; L75-L79 HydrophobicContact CD1-CD1 4.39Å; L75-L79 HydrophobicContact CD1-CG 4.29Å; L75-L79 HydrophobicContact CG-CD1 4.14Å; L75-L79 HydrophobicContact CG-CG 4.44Å; L75-L79 VanDerWaalsContact O-CG 3.31Å; L75-L79 WeakPolarHBondContact O-CG 3.43Å; L75-L79 PolarHBondContact O-N 3.11Å; L79-R81 VanDerWaalsContact C-N 3.31Å; L79-R81 PolarHBondContact O-N 3.1Å; L79-L82 PolarHBondContact O-N 3.29Å; L79-G83 PolarHBondContact O-N 3.32Å; L79-Y84 HydrophobicContact CB-CD2 4.33Å; L79-Y84 HydrophobicContact CD2-CD2 4Å; L79-Y84 HydrophobicContact CD2-CE2 4.23Å; L79-Y84 WeakPolarHBondContact O-CB 3.35Å; L79-Y84 PolarHBondContact O-N 2.88Å; L79-Y84 VanDerWaalsContact O-N 3.08Å; L79-A86 HydrophobicContact CB-CB 4.1Å; L79-V110 HydrophobicContact CD1-CG1 4.26Å; L79-V112 HydrophobicContact CD1-CG2 3.8Å |
| 80 | K | 98.1 | Very high | 98.4 | Very high | 102 Ų | 102 | 28 Ų | 28 | 44% | 0.443 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -60.7 | -40.8 | 173.5 | -73.9 | 176 | 176.5 | 176.6 | 0 | 112.1 | G76 V78 L82 G83 A86 | G76-K80 WeakPolarHBondContact O-CB 3.33Å; G76-K80 VanDerWaalsContact O-CG 3.26Å; G76-K80 WeakPolarHBondContact O-CG 3.18Å; G76-K80 PolarHBondContact O-N 3.17Å; V78-K80 PolarHBondContact O-N 2.74Å; K80-L82 VanDerWaalsContact C-N 3.27Å; K80-L82 PolarHBondContact O-N 2.82Å; K80-G83 PolarHBondContact O-N 2.81Å; K80-G83 VanDerWaalsContact O-N 3.07Å; K80-A86 WeakPolarHBondContact CE-O 3.43Å; K80-A86 HydrophobicContact CG-CB 3.96Å |
| 81 | R | 97.7 | Very high | 98.4 | Very high | 178 Ų | 178 | 27.8 Ų | 27.8 | 67% | 0.672 | 14% | 0.142 | S | C | * | . | H | α-helix | trans | -68 | -29 | -179.3 | -168.6 | 64.3 | 175.3 | 134.5 | -0.9 | 112.5 | L3 W77 V78 L79 G83 | L3-R81 HydrophobicContact CD1-CB 4.09Å; L3-R81 HydrophobicContact CD1-CG 3.51Å; L3-R81 HydrophobicContact CD2-CB 4.19Å; L3-R81 HydrophobicContact CD2-CG 4.19Å; L3-R81 HydrophobicContact CG-CB 4.34Å; L3-R81 HydrophobicContact CG-CG 3.8Å; W77-R81 WeakPolarHBondContact O-CB 3.47Å; W77-R81 PolarHBondContact O-N 3.3Å; V78-R81 WeakPolarHBondContact O-CB 3.35Å; V78-R81 PolarHBondContact O-N 3.23Å; V78-R81 VanDerWaalsContact O-N 3.08Å; L79-R81 VanDerWaalsContact C-N 3.31Å; L79-R81 PolarHBondContact O-N 3.1Å; R81-G83 VanDerWaalsContact C-N 3.26Å |
| 82 | L | 97.4 | Very high | 98.4 | Very high | 23 Ų | 23 | 30.9 Ų | 30.9 | 12% | 0.12 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -6.3 | 172.7 | -66 | 172.3 | 0 | 0 | 0 | 113.6 | L3 F7 L16 Q19 I27 V78 L79 K80 Y84 | L3-L82 HydrophobicContact CD1-CD2 3.91Å; L3-L82 HydrophobicContact CD1-CG 4.45Å; F7-L82 HydrophobicContact CE2-CD2 4.38Å; F7-L82 HydrophobicContact CZ-CD1 4.06Å; F7-L82 HydrophobicContact CZ-CD2 4.1Å; L16-L82 HydrophobicContact CB-CD2 4.43Å; L16-L82 HydrophobicContact CD1-CD2 4.17Å; L16-L82 HydrophobicContact CD2-CD1 4.5Å; L16-L82 HydrophobicContact CD2-CD2 3.96Å; L16-L82 HydrophobicContact CG-CD2 4.43Å; Q19-L82 WeakPolarHBondContact CG-O 3.37Å; I27-L82 HydrophobicContact CD1-CD1 3.49Å; I27-L82 VanDerWaalsContact CD1-CD1 3.49Å; V78-L82 HydrophobicContact CG1-CD1 3.87Å; V78-L82 HydrophobicContact CG1-CG 4.41Å; V78-L82 WeakPolarHBondContact O-CG 3.38Å; V78-L82 PolarHBondContact O-N 3.29Å; L79-L82 PolarHBondContact O-N 3.29Å; K80-L82 VanDerWaalsContact C-N 3.27Å; K80-L82 PolarHBondContact O-N 2.82Å; L82-Y84 HydrophobicContact CB-CD2 4.01Å; L82-Y84 HydrophobicContact CB-CE2 4.22Å; L82-Y84 HydrophobicContact CD1-CE2 4.36Å |
| 83 | G | 97.6 | Very high | 98.4 | Very high | 58 Ų | 58 | 32.8 Ų | 32.8 | 60% | 0.598 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 93.3 | 7.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | L79 K80 R81 | L79-G83 PolarHBondContact O-N 3.32Å; K80-G83 PolarHBondContact O-N 2.81Å; K80-G83 VanDerWaalsContact O-N 3.07Å; R81-G83 VanDerWaalsContact C-N 3.26Å |
| 84 | Y | 98.5 | Very high | 98.3 | Very high | 12 Ų | 12 | 32.5 Ų | 32.5 | 5% | 0.047 | 16% | 0.164 | C | C | . | . | trans | -66.8 | 142.5 | 170.8 | -72.3 | -82.2 | 0 | 0 | 0 | 111.1 | Q19 D20 L24 L79 L82 A86 V112 I114 | Q19-Y84 VanDerWaalsContact C-CE1 3.42Å; Q19-Y84 HydrophobicContact CB-CD1 4.15Å; Q19-Y84 HydrophobicContact CB-CE1 3.87Å; Q19-Y84 HydrophobicContact CB-CE2 4.33Å; Q19-Y84 HydrophobicContact CG-CE2 4.42Å; Q19-Y84 VanDerWaalsContact O-CE1 3.24Å; Q19-Y84 WeakPolarHBondContact O-CE1 3.35Å; D20-Y84 PolarHBondContact O-OH 2.77Å; L24-Y84 HydrophobicContact CB-CE1 4.03Å; L24-Y84 PolarHBondContact N-OH 3.02Å; L24-Y84 VanDerWaalsContact N-OH 3.12Å; L79-Y84 HydrophobicContact CB-CD2 4.33Å; L79-Y84 HydrophobicContact CD2-CD2 4Å; L79-Y84 HydrophobicContact CD2-CE2 4.23Å; L79-Y84 WeakPolarHBondContact O-CB 3.35Å; L79-Y84 PolarHBondContact O-N 2.88Å; L79-Y84 VanDerWaalsContact O-N 3.08Å; L82-Y84 HydrophobicContact CB-CD2 4.01Å; L82-Y84 HydrophobicContact CB-CE2 4.22Å; L82-Y84 HydrophobicContact CD1-CE2 4.36Å; Y84-A86 VanDerWaalsContact C-N 3.29Å; Y84-A86 PolarHBondContact O-N 3.09Å; Y84-V112 HydrophobicContact CD1-CG1 3.73Å; Y84-V112 HydrophobicContact CG-CG1 4.15Å; Y84-I114 HydrophobicContact CD1-CD1 4.13Å; Y84-I114 HydrophobicContact CD1-CG1 4.13Å; Y84-I114 HydrophobicContact CE1-CD1 3.72Å; Y84-I114 HydrophobicContact CE1-CG1 4.17Å | ||
| 85 | D | 98.3 | Very high | 98 | Very high | 102 Ų | 102 | 34.9 Ų | 34.9 | 55% | 0.545 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 87.7 | 165.2 | -180 | 7.2 | 0 | 0 | 0 | 109.2 | V112 V113 | D85-V112 CarbonylContact O-C 3.53Å; D85-V112 VanDerWaalsContact O-CA 3.29Å; D85-V112 WeakPolarHBondContact O-CA 3.46Å; D85-V113 HydrophobicContact CB-CB 4.18Å; D85-V113 PolarHBondContact O-N 2.75Å |
| 86 | A | 98.5 | Very high | 97.5 | Very high | 9 Ų | 9 | 35.8 Ų | 35.8 | 7% | 0.074 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 135.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L79 K80 Y84 V110 K111 V112 | L79-A86 HydrophobicContact CB-CB 4.1Å; K80-A86 WeakPolarHBondContact CE-O 3.43Å; K80-A86 HydrophobicContact CG-CB 3.96Å; Y84-A86 VanDerWaalsContact C-N 3.29Å; Y84-A86 PolarHBondContact O-N 3.09Å; A86-V110 HydrophobicContact CB-CG1 4.16Å; A86-K111 CarbonylContact C-O 3.59Å; A86-K111 VanDerWaalsContact CA-O 3.26Å; A86-K111 WeakPolarHBondContact CA-O 3.46Å; A86-V112 HydrophobicContact CB-CG2 4.28Å |
| 87 | S | 98.6 | Very high | 96.8 | Very high | 22 Ų | 22 | 43.2 Ų | 43.2 | 15% | 0.154 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 152.7 | 177.4 | 50.3 | 0 | 0 | 0 | 0 | 110.9 | V110 K111 | S87-V110 CarbonylContact O-C 3.59Å; S87-V110 WeakPolarHBondContact O-CA 3.31Å; S87-K111 PolarHBondContact N-O 2.91Å; S87-K111 PolarHBondContact O-N 3.14Å; S87-K111 WeakPolarHBondContact OG-CE 3.36Å |
| 88 | F | 98.8 | Very high | 96.4 | Very high | 20 Ų | 20 | 47.4 Ų | 47.4 | 9% | 0.088 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 143.2 | 176.1 | -63.3 | -56.2 | 0 | 0 | 0 | 110.3 | N72 Q73 L108 L109 V110 P196 R197 M199 | N72-F88 WeakPolarHBondContact O-CE1 3.41Å; Q73-F88 HydrophobicContact CG-CZ 4.41Å; F88-L108 HydrophobicContact CB-CD1 3.8Å; F88-L108 HydrophobicContact CD1-CD1 3.94Å; F88-L108 HydrophobicContact CD1-CD2 4.37Å; F88-L108 HydrophobicContact CD1-CG 4.39Å; F88-L108 HydrophobicContact CG-CD1 4.04Å; F88-L109 WeakPolarHBondContact CA-O 3.48Å; F88-V110 HydrophobicContact CD1-CG2 4.15Å; F88-V110 HydrophobicContact CE1-CG2 4.13Å; F88-P196 CarbonylContact O-C 3.51Å; F88-P196 WeakPolarHBondContact O-CA 3.47Å; F88-R197 HydrophobicContact CB-CB 4.46Å; F88-R197 PolarHBondContact O-N 3.12Å; F88-M199 HydrophobicContact CB-CE 4.4Å; F88-M199 HydrophobicContact CD1-CE 4.35Å; F88-M199 HydrophobicContact CD2-CE 3.73Å; F88-M199 HydrophobicContact CE2-CE 4.02Å; F88-M199 HydrophobicContact CG-CE 3.91Å; F88-M199 HydrophobicContact CZ-CE 4.46Å |
| 89 | L | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 159.7 | 170.1 | -56.4 | -179.7 | 0 | 0 | 0 | 109.1 | L109 K111 I120 F192 L194 E195 | L89-L109 HydrophobicContact CB-CB 4.3Å; L89-L109 PolarHBondContact N-O 3.14Å; L89-L109 PolarHBondContact O-N 3.41Å; L89-K111 HydrophobicContact CD1-CB 3.85Å; L89-K111 HydrophobicContact CD1-CD 4.42Å; L89-K111 HydrophobicContact CG-CB 4.07Å; L89-I120 HydrophobicContact CD1-CD1 3.79Å; L89-F192 HydrophobicContact CD1-CD2 3.82Å; L89-F192 HydrophobicContact CD1-CE2 3.89Å; L89-L194 HydrophobicContact CD1-CD2 4.07Å; L89-E195 WeakPolarHBondContact CD2-O 3.44Å |
| 90 | G | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 142.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | M105 H107 F192 | G90-M105 VanDerWaalsContact CA-SD 3.53Å; G90-H107 CarbonylContact C-O 3.38Å; G90-H107 WeakPolarHBondContact CA-O 3.44Å; G90-F192 VanDerWaalsContact O-CB 3.32Å; G90-F192 WeakPolarHBondContact O-CB 3.46Å |
| 91 | A | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 155.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | M105 T106 H107 L109 Y190 M191 F192 | A91-M105 CarbonylContact O-C 3.56Å; A91-T106 PolarHBondContact O-N 2.88Å; A91-H107 HydrophobicContact CB-CB 4.09Å; A91-H107 PolarHBondContact N-O 3.06Å; A91-H107 PolarHBondContact O-N 2.92Å; A91-H107 VanDerWaalsContact O-N 3.1Å; A91-L109 HydrophobicContact CB-CD1 3.7Å; A91-L109 HydrophobicContact CB-CG 4.1Å; A91-Y190 HydrophobicContact CB-CD2 4.04Å; A91-Y190 HydrophobicContact CB-CG 4.18Å; A91-M191 CarbonylContact C-O 3.51Å; A91-M191 VanDerWaalsContact CA-O 3.23Å; A91-M191 WeakPolarHBondContact CA-O 3.44Å; A91-M191 WeakPolarHBondContact CB-O 3.36Å; A91-F192 HydrophobicContact CB-CB 3.85Å |
| 92 | Y | 98.4 | Very high | 95.8 | Very high | 65 Ų | 65 | 45.2 Ų | 45.2 | 26% | 0.255 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 115 | 179.3 | -58.5 | -96.2 | 0 | 0 | 0 | 107.8 | Y101 A102 L104 M105 Y190 M191 | Y92-Y101 WeakPolarHBondContact O-CD1 3.41Å; Y92-A102 WeakPolarHBondContact CD1-O 3.18Å; Y92-L104 VanDerWaalsContact CD1-C 3.42Å; Y92-L104 VanDerWaalsContact CD1-O 3.25Å; Y92-L104 WeakPolarHBondContact CD1-O 3.09Å; Y92-M105 HydrophobicContact CD1-CB 4.45Å; Y92-M105 HydrophobicContact CE1-CB 3.9Å; Y92-M105 HydrophobicContact CE2-CB 4.38Å; Y92-M105 HydrophobicContact CE2-CG 4.39Å; Y92-Y190 CarbonylContact O-C 3.49Å; Y92-Y190 VanDerWaalsContact O-CA 3.22Å; Y92-Y190 WeakPolarHBondContact O-CA 3.35Å; Y92-Y190 WeakPolarHBondContact O-CB 3.05Å; Y92-M191 HydrophobicContact CD2-CE 4.28Å; Y92-M191 HydrophobicContact CD2-CG 4.37Å; Y92-M191 HydrophobicContact CG-CE 4.08Å; Y92-M191 PolarHBondContact N-O 2.99Å; Y92-M191 PolarHBondContact O-N 3.08Å |
| 93 | V | 97.6 | Very high | 95.6 | Very high | 39 Ų | 39 | 50.5 Ų | 50.5 | 24% | 0.236 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 140 | -174.6 | -179.5 | 0 | 0 | 0 | 0 | 110.5 | N95 A102 H107 F125 | V93-N95 PolarHBondContact O-N 3.04Å; V93-A102 PolarHBondContact O-N 2.94Å; V93-H107 HydrophobicContact CG2-CB 3.73Å; V93-F125 HydrophobicContact CG1-CE2 4.15Å; V93-F125 HydrophobicContact CG1-CZ 4.13Å; V93-F125 HydrophobicContact CG2-CE2 4.29Å |
| 94 | F | 96.6 | Very high | 95.5 | Very high | 10 Ų | 10 | 50 Ų | 50 | 4% | 0.044 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 119.6 | 178.7 | -174.9 | -104.7 | 0 | 0 | 0 | 112.3 | P96 N99 Y101 R187 K188 V189 | F94-P96 HydrophobicContact CE1-CB 4.15Å; F94-P96 WeakPolarHBondContact O-CD 3.13Å; F94-N99 WeakPolarHBondContact CZ-OD1 3.39Å; F94-Y101 HydrophobicContact CB-CD1 3.72Å; F94-Y101 HydrophobicContact CB-CE1 3.61Å; F94-Y101 AromaticContact CD2-CD1 3.9Å; F94-Y101 HydrophobicContact CD2-CD1 3.9Å; F94-Y101 HydrophobicContact CD2-CD2 4.09Å; F94-Y101 AromaticContact CD2-CE1 3.79Å; F94-Y101 HydrophobicContact CD2-CE1 3.79Å; F94-Y101 AromaticContact CD2-CE2 3.99Å; F94-Y101 HydrophobicContact CD2-CE2 3.99Å; F94-Y101 HydrophobicContact CD2-CG 4.05Å; F94-Y101 AromaticContact CD2-CZ 3.82Å; F94-Y101 HydrophobicContact CG-CD1 4.3Å; F94-Y101 HydrophobicContact CG-CE1 4.09Å; F94-R187 VanDerWaalsContact CE1-NH1 3.33Å; F94-R187 PolarHBondContact O-NH2 3.12Å; F94-R187 VanDerWaalsContact O-NH2 3.09Å; F94-K188 HydrophobicContact CB-CB 4.01Å; F94-K188 HydrophobicContact CD1-CB 3.52Å; F94-K188 WeakPolarHBondContact CD1-O 3.39Å; F94-K188 HydrophobicContact CD2-CB 3.99Å; F94-K188 HydrophobicContact CD2-CD 4.11Å; F94-K188 HydrophobicContact CE1-CB 3.93Å; F94-K188 HydrophobicContact CE1-CD 4.3Å; F94-K188 HydrophobicContact CE2-CB 4.36Å; F94-K188 HydrophobicContact CE2-CD 3.8Å; F94-K188 HydrophobicContact CG-CB 3.55Å; F94-K188 HydrophobicContact CG-CD 4.48Å; F94-K188 HydrophobicContact CZ-CB 4.33Å; F94-K188 HydrophobicContact CZ-CD 3.91Å; F94-V189 WeakPolarHBondContact CB-O 3.39Å; F94-V189 PolarHBondContact N-O 3.5Å |
| 95 | N | 92.6 | Very high | 95.4 | Very high | 49 Ų | 49 | 50 Ų | 50 | 26% | 0.262 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 109.9 | 171.1 | -174.2 | -22.4 | 0 | 0 | 0 | 109.7 | V93 H97 Q98 N99 T100 | V93-N95 PolarHBondContact O-N 3.04Å; N95-H97 VanDerWaalsContact C-N 3.35Å; N95-H97 PolarHBondContact O-N 3.4Å; N95-H97 WeakPolarHBondContact OD1-CB 3.42Å; N95-H97 PolarHBondContact OD1-N 3.35Å; N95-Q98 HydrophobicContact CB-CB 4.38Å; N95-Q98 PolarHBondContact ND2-OE1 2.93Å; N95-Q98 PolarHBondContact OD1-N 2.98Å; N95-N99 VanDerWaalsContact O-CA 3.3Å; N95-N99 WeakPolarHBondContact O-CA 3.39Å; N95-N99 PolarHBondContact O-N 2.94Å; N95-T100 WeakPolarHBondContact CA-O 3.29Å; N95-T100 PolarHBondContact N-O 2.66Å; N95-T100 PolarHBondContact O-N 3.06Å |
| 96 | P | 87.8 | Confident | 95.2 | Very high | 21 Ų | 21 | 46.2 Ų | 46.2 | 14% | 0.136 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -27.8 | 178.7 | 19.1 | -18 | 0 | 0 | 0 | 114 | F94 Q98 N99 R187 F287 | F94-P96 HydrophobicContact CE1-CB 4.15Å; F94-P96 WeakPolarHBondContact O-CD 3.13Å; P96-Q98 VanDerWaalsContact C-N 3.33Å; P96-N99 PolarHBondContact O-N 3.42Å; P96-R187 VanDerWaalsContact CD-NH2 3.28Å; P96-F287 HydrophobicContact CB-CE1 4.39Å; P96-F287 HydrophobicContact CB-CE2 4.3Å; P96-F287 HydrophobicContact CB-CZ 4.1Å; P96-F287 VanDerWaalsContact CD-CD1 3.42Å; P96-F287 HydrophobicContact CG-CD1 3.44Å; P96-F287 VanDerWaalsContact CG-CD1 3.44Å; P96-F287 HydrophobicContact CG-CD2 3.87Å; P96-F287 HydrophobicContact CG-CE1 2.93Å; P96-F287 HydrophobicContact CG-CE2 3.38Å; P96-F287 HydrophobicContact CG-CG 3.91Å; P96-F287 HydrophobicContact CG-CZ 2.92Å |
| 97 | H | 84.9 | Confident | 95.2 | Very high | 155 Ų | 155 | 46.1 Ų | 46.1 | 72% | 0.718 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -44 | -178.9 | -177.3 | 71.8 | 0 | 0 | 0 | 109.9 | N95 N99 F287 | N95-H97 VanDerWaalsContact C-N 3.35Å; N95-H97 PolarHBondContact O-N 3.4Å; N95-H97 WeakPolarHBondContact OD1-CB 3.42Å; N95-H97 PolarHBondContact OD1-N 3.35Å; H97-N99 VanDerWaalsContact C-N 3.28Å; H97-F287 HydrophobicContact CB-CB 4.47Å |
| 98 | Q | 89.6 | Confident | 95.2 | Very high | 131 Ų | 131 | 45 Ų | 45 | 61% | 0.612 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -5.5 | 174.2 | -65.4 | 177.9 | -24.7 | 0 | 0 | 112.8 | N95 P96 T100 | N95-Q98 HydrophobicContact CB-CB 4.38Å; N95-Q98 PolarHBondContact ND2-OE1 2.93Å; N95-Q98 PolarHBondContact OD1-N 2.98Å; P96-Q98 VanDerWaalsContact C-N 3.33Å; Q98-T100 HydrophobicContact CB-CG2 3.64Å; Q98-T100 PolarHBondContact O-N 3.4Å; Q98-T100 VanDerWaalsContact O-N 3.15Å |
| 99 | N | 91.8 | Very high | 95.2 | Very high | 107 Ų | 107 | 44.1 Ų | 44.1 | 57% | 0.572 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.5 | 39.1 | -174 | -167.4 | 47.5 | 0 | 0 | 0 | 113.1 | F94 N95 P96 H97 | F94-N99 WeakPolarHBondContact CZ-OD1 3.39Å; N95-N99 VanDerWaalsContact O-CA 3.3Å; N95-N99 WeakPolarHBondContact O-CA 3.39Å; N95-N99 PolarHBondContact O-N 2.94Å; P96-N99 PolarHBondContact O-N 3.42Å; H97-N99 VanDerWaalsContact C-N 3.28Å |
| 100 | T | 95.9 | Very high | 95.2 | Very high | 67 Ų | 67 | 44.1 Ų | 44.1 | 41% | 0.411 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 158.2 | -175.8 | -167.5 | 0 | 0 | 0 | 0 | 110.6 | N95 Q98 | N95-T100 WeakPolarHBondContact CA-O 3.29Å; N95-T100 PolarHBondContact N-O 2.66Å; N95-T100 PolarHBondContact O-N 3.06Å; Q98-T100 HydrophobicContact CB-CG2 3.64Å; Q98-T100 PolarHBondContact O-N 3.4Å; Q98-T100 VanDerWaalsContact O-N 3.15Å |
| 101 | Y | 97 | Very high | 95.2 | Very high | 31 Ų | 31 | 46 Ų | 46 | 12% | 0.122 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 151.1 | 168.2 | -64.6 | -84.6 | 0 | 0 | 0 | 110.2 | Y92 F94 Y160 M191 | Y92-Y101 WeakPolarHBondContact O-CD1 3.41Å; F94-Y101 HydrophobicContact CB-CD1 3.72Å; F94-Y101 HydrophobicContact CB-CE1 3.61Å; F94-Y101 AromaticContact CD2-CD1 3.9Å; F94-Y101 HydrophobicContact CD2-CD1 3.9Å; F94-Y101 HydrophobicContact CD2-CD2 4.09Å; F94-Y101 AromaticContact CD2-CE1 3.79Å; F94-Y101 HydrophobicContact CD2-CE1 3.79Å; F94-Y101 AromaticContact CD2-CE2 3.99Å; F94-Y101 HydrophobicContact CD2-CE2 3.99Å; F94-Y101 HydrophobicContact CD2-CG 4.05Å; F94-Y101 AromaticContact CD2-CZ 3.82Å; F94-Y101 HydrophobicContact CG-CD1 4.3Å; F94-Y101 HydrophobicContact CG-CE1 4.09Å; Y101-Y160 HydrophobicContact CE1-CD1 4.47Å; Y101-Y160 AromaticContact CE2-CD1 3.99Å; Y101-Y160 HydrophobicContact CE2-CD1 3.99Å; Y101-Y160 AromaticContact CE2-CE1 3.86Å; Y101-Y160 HydrophobicContact CE2-CE1 3.86Å; Y101-Y160 AromaticContact CZ-CD1 3.69Å; Y101-Y160 WeakPolarHBondContact OH-CD1 3.44Å; Y101-M191 VanDerWaalsContact CB-CE 3.42Å; Y101-M191 HydrophobicContact CD1-CB 4Å; Y101-M191 HydrophobicContact CD1-CG 3.69Å; Y101-M191 HydrophobicContact CD1-SD 4.07Å; Y101-M191 HydrophobicContact CD2-CE 4.16Å; Y101-M191 HydrophobicContact CD2-CG 4.2Å; Y101-M191 HydrophobicContact CD2-SD 3.47Å; Y101-M191 WeakPolarHBondContact CD2-SD 2.95Å; Y101-M191 HydrophobicContact CE1-CB 3.87Å; Y101-M191 HydrophobicContact CE1-CG 4.1Å; Y101-M191 HydrophobicContact CE2-SD 4.01Å; Y101-M191 HydrophobicContact CG-CB 4.4Å; Y101-M191 HydrophobicContact CG-CE 3.86Å; Y101-M191 HydrophobicContact CG-CG 3.75Å; Y101-M191 HydrophobicContact CG-SD 3.51Å; Y101-M191 VanDerWaalsContact CG-SD 3.51Å |
| 102 | A | 95.3 | Very high | 95.2 | Very high | 29 Ų | 29 | 46 Ų | 46 | 24% | 0.24 | 24% | 0.242 | C | C | . | . | trans | -53.2 | 147.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y92 V93 | Y92-A102 WeakPolarHBondContact CD1-O 3.18Å; V93-A102 PolarHBondContact O-N 2.94Å | ||
| 103 | T | 93.6 | Very high | 95.2 | Very high | 134 Ų | 134 | 44.9 Ų | 44.9 | 82% | 0.822 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -79.9 | -25.9 | 174.2 | 51.6 | 0 | 0 | 0 | 0 | 112.1 | ||
| 104 | L | 94.7 | Very high | 95.3 | Very high | 48 Ų | 48 | 43.8 Ų | 43.8 | 25% | 0.251 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -97.6 | 145.4 | 175.6 | -62.6 | 178.2 | 0 | 0 | 0 | 110.6 | Y92 T106 F204 Q205 Y208 | Y92-L104 VanDerWaalsContact CD1-C 3.42Å; Y92-L104 VanDerWaalsContact CD1-O 3.25Å; Y92-L104 WeakPolarHBondContact CD1-O 3.09Å; L104-T106 VanDerWaalsContact C-N 3.29Å; L104-T106 HydrophobicContact CB-CG2 3.82Å; L104-T106 PolarHBondContact O-N 3.45Å; L104-F204 HydrophobicContact CD1-CE1 3.94Å; L104-F204 HydrophobicContact CD2-CE1 4.05Å; L104-Q205 HydrophobicContact CB-CG 4.49Å; L104-Y208 HydrophobicContact CD1-CD1 3.78Å; L104-Y208 HydrophobicContact CD1-CE1 3.9Å; L104-Y208 HydrophobicContact CD1-CG 4.14Å |
| 105 | M | 96.4 | Very high | 95.2 | Very high | 12 Ų | 12 | 50.3 Ų | 50.3 | 6% | 0.059 | 27% | 0.27 | C | S | . | . | trans | -75.5 | 78.8 | 174.3 | -171.5 | 176.3 | 74 | 0 | 0 | 110.1 | G90 A91 Y92 R197 D201 F202 Q205 | G90-M105 VanDerWaalsContact CA-SD 3.53Å; A91-M105 CarbonylContact O-C 3.56Å; Y92-M105 HydrophobicContact CD1-CB 4.45Å; Y92-M105 HydrophobicContact CE1-CB 3.9Å; Y92-M105 HydrophobicContact CE2-CB 4.38Å; Y92-M105 HydrophobicContact CE2-CG 4.39Å; M105-R197 HydrophobicContact CE-CG 4.2Å; M105-R197 HydrophobicContact SD-CG 4.32Å; M105-R197 PolarHBondContact SD-NE 3.31Å; M105-D201 HydrophobicContact CE-CB 3.98Å; M105-F202 HydrophobicContact CE-CD1 4.25Å; M105-F202 HydrophobicContact CE-CD2 4.47Å; M105-F202 HydrophobicContact CE-CE1 3.82Å; M105-F202 HydrophobicContact CE-CE2 4.03Å; M105-F202 HydrophobicContact CE-CZ 3.71Å; M105-F202 HydrophobicContact CG-CE1 4.12Å; M105-F202 HydrophobicContact CG-CZ 4.47Å; M105-F202 HydrophobicContact SD-CZ 4.43Å; M105-Q205 WeakPolarHBondContact O-CG 3.42Å | ||
| 106 | T | 95.6 | Very high | 95.4 | Very high | 21 Ų | 21 | 53.9 Ų | 53.9 | 13% | 0.129 | 30% | 0.299 | C | S | . | . | trans | -91.1 | -1.5 | -168.8 | 56.6 | 0 | 0 | 0 | 0 | 114.7 | A91 L104 L209 | A91-T106 PolarHBondContact O-N 2.88Å; L104-T106 VanDerWaalsContact C-N 3.29Å; L104-T106 HydrophobicContact CB-CG2 3.82Å; L104-T106 PolarHBondContact O-N 3.45Å; T106-L209 HydrophobicContact CG2-CD1 4.18Å; T106-L209 HydrophobicContact CG2-CD2 3.86Å; T106-L209 HydrophobicContact CG2-CG 4.32Å | ||
| 107 | H | 98.4 | Very high | 95.9 | Very high | 7 Ų | 7 | 58 Ų | 58 | 3% | 0.032 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 134 | -175.2 | -168.6 | 56.6 | 0 | 0 | 0 | 112.1 | C68 G90 A91 V93 L109 D122 F125 Y190 | C68-H107 WeakPolarHBondContact CB-CE1 3.43Å; C68-H107 WeakPolarHBondContact CB-ND1 3.36Å; C68-H107 PolarHBondContact SG-ND1 3.1Å; C68-H107 VanDerWaalsContact SG-ND1 3.39Å; G90-H107 CarbonylContact C-O 3.38Å; G90-H107 WeakPolarHBondContact CA-O 3.44Å; A91-H107 HydrophobicContact CB-CB 4.09Å; A91-H107 PolarHBondContact N-O 3.06Å; A91-H107 PolarHBondContact O-N 2.92Å; A91-H107 VanDerWaalsContact O-N 3.1Å; V93-H107 HydrophobicContact CG2-CB 3.73Å; H107-L109 WeakPolarHBondContact CD2-CD2 3.19Å; H107-L109 VanDerWaalsContact NE2-CD2 3.3Å; H107-L109 WeakPolarHBondContact NE2-CD2 3.33Å; H107-D122 IonicContact CD2-OD2 3.83Å; H107-D122 IonicContact CE1-OD1 2.77Å; H107-D122 IonicContact CE1-OD2 3.09Å; H107-D122 IonicContact NE2-OD1 3.97Å; H107-D122 IonicContact NE2-OD2 3.22Å; H107-D122 PolarHBondContact NE2-OD2 2.99Å; H107-F125 AromaticContact CE1-CD2 3.83Å; H107-F125 AromaticContact NE2-CD2 3.66Å; H107-Y190 AromaticContact CD2-CD1 3.87Å |
| 108 | L | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 135.3 | 177.3 | 177.1 | 66.2 | 0 | 0 | 0 | 108.8 | M69 N72 Q73 F88 M199 F202 | M69-L108 HydrophobicContact CG-CB 4.42Å; N72-L108 HydrophobicContact CB-CB 4.46Å; N72-L108 HydrophobicContact CB-CD2 3.88Å; N72-L108 HydrophobicContact CB-CG 3.95Å; N72-L108 PolarHBondContact ND2-O 2.75Å; Q73-L108 HydrophobicContact CB-CD2 4.18Å; F88-L108 HydrophobicContact CB-CD1 3.8Å; F88-L108 HydrophobicContact CD1-CD1 3.94Å; F88-L108 HydrophobicContact CD1-CD2 4.37Å; F88-L108 HydrophobicContact CD1-CG 4.39Å; F88-L108 HydrophobicContact CG-CD1 4.04Å; L108-M199 HydrophobicContact CD1-CE 3.55Å; L108-M199 HydrophobicContact CD2-CE 3.58Å; L108-M199 HydrophobicContact CD2-SD 4.08Å; L108-M199 HydrophobicContact CG-CE 4.24Å; L108-F202 HydrophobicContact CB-CE1 4.33Å; L108-F202 HydrophobicContact CB-CZ 4.23Å; L108-F202 HydrophobicContact CD1-CD2 4.35Å; L108-F202 HydrophobicContact CD1-CE2 3.59Å; L108-F202 HydrophobicContact CD1-CZ 3.69Å |
| 109 | L | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 160 | 174.8 | -56 | 173.4 | 0 | 0 | 0 | 110 | F88 L89 A91 H107 D122 Y190 F192 | F88-L109 WeakPolarHBondContact CA-O 3.48Å; L89-L109 HydrophobicContact CB-CB 4.3Å; L89-L109 PolarHBondContact N-O 3.14Å; L89-L109 PolarHBondContact O-N 3.41Å; A91-L109 HydrophobicContact CB-CD1 3.7Å; A91-L109 HydrophobicContact CB-CG 4.1Å; H107-L109 WeakPolarHBondContact CD2-CD2 3.19Å; H107-L109 VanDerWaalsContact NE2-CD2 3.3Å; H107-L109 WeakPolarHBondContact NE2-CD2 3.33Å; L109-D122 HydrophobicContact CD2-CB 3.71Å; L109-D122 VanDerWaalsContact CD2-CG 3.41Å; L109-D122 WeakPolarHBondContact CD2-OD2 3.45Å; L109-Y190 HydrophobicContact CD1-CD2 4.16Å; L109-Y190 HydrophobicContact CD1-CE2 3.58Å; L109-Y190 HydrophobicContact CD2-CE1 3.97Å; L109-Y190 HydrophobicContact CD2-CE2 4.21Å; L109-F192 HydrophobicContact CD1-CB 4.28Å; L109-F192 HydrophobicContact CD1-CD1 4.03Å; L109-F192 HydrophobicContact CD1-CD2 4.34Å; L109-F192 HydrophobicContact CD1-CE1 4.46Å; L109-F192 HydrophobicContact CD1-CG 3.96Å |
| 110 | V | 98.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 130.1 | 170.1 | -169.4 | 0 | 0 | 0 | 0 | 109.6 | N72 L79 A86 S87 F88 V112 I120 V121 | N72-V110 HydrophobicContact CB-CG2 4.05Å; N72-V110 WeakPolarHBondContact O-CG2 3.43Å; L79-V110 HydrophobicContact CD1-CG1 4.26Å; A86-V110 HydrophobicContact CB-CG1 4.16Å; S87-V110 CarbonylContact O-C 3.59Å; S87-V110 WeakPolarHBondContact O-CA 3.31Å; F88-V110 HydrophobicContact CD1-CG2 4.15Å; F88-V110 HydrophobicContact CE1-CG2 4.13Å; V110-V112 HydrophobicContact CG1-CG2 4.2Å; V110-I120 WeakPolarHBondContact O-CA 3.31Å; V110-V121 WeakPolarHBondContact CA-O 3.32Å; V110-V121 HydrophobicContact CB-CB 4.43Å; V110-V121 WeakPolarHBondContact CB-O 3.44Å; V110-V121 PolarHBondContact N-O 3.09Å; V110-V121 PolarHBondContact O-N 3.31Å; V110-V121 VanDerWaalsContact O-O 3.12Å |
| 111 | K | 98.9 | Very high | 97.4 | Very high | 39 Ų | 39 | 38.3 Ų | 38.3 | 17% | 0.17 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 132 | 167.5 | -176.9 | -172.6 | 70.2 | 175.2 | 0 | 108.8 | A86 S87 L89 A118 Y119 I120 L137 | A86-K111 CarbonylContact C-O 3.59Å; A86-K111 VanDerWaalsContact CA-O 3.26Å; A86-K111 WeakPolarHBondContact CA-O 3.46Å; S87-K111 PolarHBondContact N-O 2.91Å; S87-K111 PolarHBondContact O-N 3.14Å; S87-K111 WeakPolarHBondContact OG-CE 3.36Å; L89-K111 HydrophobicContact CD1-CB 3.85Å; L89-K111 HydrophobicContact CD1-CD 4.42Å; L89-K111 HydrophobicContact CG-CB 4.07Å; K111-A118 HydrophobicContact CD-CB 4.46Å; K111-Y119 CarbonylContact C-O 3.38Å; K111-Y119 VanDerWaalsContact CA-O 3.29Å; K111-Y119 WeakPolarHBondContact CA-O 3.3Å; K111-I120 HydrophobicContact CB-CD1 4.17Å; K111-I120 HydrophobicContact CG-CD1 4.39Å; K111-L137 HydrophobicContact CD-CD1 4.28Å; K111-L137 HydrophobicContact CG-CD1 4.36Å |
| 112 | V | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 135.1 | 175.9 | -174.7 | 0 | 0 | 0 | 0 | 109.8 | L24 L79 Y84 D85 A86 V110 I114 A118 Y119 V121 | L24-V112 HydrophobicContact CD1-CG2 4.48Å; L24-V112 HydrophobicContact CD2-CB 4.16Å; L24-V112 HydrophobicContact CD2-CG1 4.03Å; L24-V112 HydrophobicContact CD2-CG2 4.31Å; L79-V112 HydrophobicContact CD1-CG2 3.8Å; Y84-V112 HydrophobicContact CD1-CG1 3.73Å; Y84-V112 HydrophobicContact CG-CG1 4.15Å; D85-V112 CarbonylContact O-C 3.53Å; D85-V112 VanDerWaalsContact O-CA 3.29Å; D85-V112 WeakPolarHBondContact O-CA 3.46Å; A86-V112 HydrophobicContact CB-CG2 4.28Å; V110-V112 HydrophobicContact CG1-CG2 4.2Å; V112-I114 HydrophobicContact CG1-CD1 4.37Å; V112-I114 HydrophobicContact CG1-CG1 4.05Å; V112-A118 CarbonylContact O-C 3.53Å; V112-A118 WeakPolarHBondContact O-CA 3.33Å; V112-Y119 PolarHBondContact N-O 2.89Å; V112-Y119 PolarHBondContact O-N 2.81Å; V112-V121 HydrophobicContact CG2-CG2 3.82Å |
| 113 | V | 98.7 | Very high | 97.6 | Very high | 41 Ų | 41 | 35.7 Ų | 35.7 | 25% | 0.248 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 127.4 | 173.8 | -176.3 | 0 | 0 | 0 | 0 | 109.9 | D85 K117 A118 | D85-V113 HydrophobicContact CB-CB 4.18Å; D85-V113 PolarHBondContact O-N 2.75Å; V113-K117 CarbonylContact C-O 3.54Å; V113-K117 VanDerWaalsContact CA-O 3.3Å; V113-K117 WeakPolarHBondContact CA-O 3.33Å; V113-A118 HydrophobicContact CG2-CB 4.31Å |
| 114 | I | 98.3 | Very high | 97.6 | Very high | 16 Ų | 16 | 29.3 Ų | 29.3 | 8% | 0.082 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 124.5 | 176.4 | -54.2 | 175.4 | 0 | 0 | 0 | 107.1 | L21 L24 Y84 V112 S116 K117 Y119 | L21-I114 HydrophobicContact CB-CD1 4.24Å; L21-I114 HydrophobicContact CD1-CD1 4.46Å; L24-I114 HydrophobicContact CB-CD1 4.44Å; L24-I114 HydrophobicContact CD2-CD1 3.87Å; Y84-I114 HydrophobicContact CD1-CD1 4.13Å; Y84-I114 HydrophobicContact CD1-CG1 4.13Å; Y84-I114 HydrophobicContact CE1-CD1 3.72Å; Y84-I114 HydrophobicContact CE1-CG1 4.17Å; V112-I114 HydrophobicContact CG1-CD1 4.37Å; V112-I114 HydrophobicContact CG1-CG1 4.05Å; I114-S116 VanDerWaalsContact C-N 3.26Å; I114-S116 PolarHBondContact O-N 2.69Å; I114-K117 PolarHBondContact N-O 2.7Å; I114-K117 WeakPolarHBondContact O-CB 3.34Å; I114-K117 PolarHBondContact O-N 2.61Å; I114-Y119 HydrophobicContact CB-CE2 4.31Å |
| 115 | D | 95.7 | Very high | 97.7 | Very high | 148 Ų | 148 | 28.4 Ų | 28.4 | 79% | 0.791 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.4 | 46.7 | 179.5 | -58.9 | -32.5 | 0 | 0 | 0 | 113.5 | K117 | D115-K117 PolarHBondContact O-N 3.39Å; D115-K117 VanDerWaalsContact O-N 3.15Å |
| 116 | S | 95.8 | Very high | 97.6 | Very high | 124 Ų | 124 | 27.9 Ų | 27.9 | 87% | 0.867 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 5.2 | -176.8 | -49.1 | 0 | 0 | 0 | 0 | 116.2 | I114 | I114-S116 VanDerWaalsContact C-N 3.26Å; I114-S116 PolarHBondContact O-N 2.69Å |
| 117 | K | 98.3 | Very high | 97.6 | Very high | 108 Ų | 108 | 26.9 Ų | 26.9 | 47% | 0.47 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 133.9 | 172.7 | -63.3 | 179.6 | -178.6 | -179.6 | 0 | 110.1 | V113 I114 D115 Y119 | V113-K117 CarbonylContact C-O 3.54Å; V113-K117 VanDerWaalsContact CA-O 3.3Å; V113-K117 WeakPolarHBondContact CA-O 3.33Å; I114-K117 PolarHBondContact N-O 2.7Å; I114-K117 WeakPolarHBondContact O-CB 3.34Å; I114-K117 PolarHBondContact O-N 2.61Å; D115-K117 PolarHBondContact O-N 3.39Å; D115-K117 VanDerWaalsContact O-N 3.15Å; K117-Y119 HydrophobicContact CB-CE2 3.6Å; K117-Y119 WeakPolarHBondContact CD-OH 3.26Å |
| 118 | A | 98.4 | Very high | 97.4 | Very high | 28 Ų | 28 | 26.7 Ų | 26.7 | 23% | 0.231 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 135 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | K111 V112 V113 L137 | K111-A118 HydrophobicContact CD-CB 4.46Å; V112-A118 CarbonylContact O-C 3.53Å; V112-A118 WeakPolarHBondContact O-CA 3.33Å; V113-A118 HydrophobicContact CG2-CB 4.31Å; A118-L137 HydrophobicContact CB-CB 4.33Å; A118-L137 HydrophobicContact CB-CD1 3.81Å; A118-L137 HydrophobicContact CB-CG 4.5Å; A118-L137 WeakPolarHBondContact O-CB 3.31Å; A118-L137 PolarHBondContact O-N 3.3Å |
| 119 | Y | 98.9 | Very high | 97.3 | Very high | 17 Ų | 17 | 27.1 Ų | 27.1 | 7% | 0.067 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 145.6 | 179.8 | -59.4 | -93.5 | 0 | 0 | 0 | 109.9 | L21 K111 V112 I114 K117 P134 M135 E136 | L21-Y119 HydrophobicContact CD1-CD1 3.98Å; L21-Y119 HydrophobicContact CD1-CE1 3.85Å; L21-Y119 HydrophobicContact CD1-CE2 4.4Å; L21-Y119 HydrophobicContact CD1-CG 4.32Å; L21-Y119 HydrophobicContact CD2-CE1 3.83Å; K111-Y119 CarbonylContact C-O 3.38Å; K111-Y119 VanDerWaalsContact CA-O 3.29Å; K111-Y119 WeakPolarHBondContact CA-O 3.3Å; V112-Y119 PolarHBondContact N-O 2.89Å; V112-Y119 PolarHBondContact O-N 2.81Å; I114-Y119 HydrophobicContact CB-CE2 4.31Å; K117-Y119 HydrophobicContact CB-CE2 3.6Å; K117-Y119 WeakPolarHBondContact CD-OH 3.26Å; Y119-P134 HydrophobicContact CD1-CB 4.18Å; Y119-P134 HydrophobicContact CG-CB 4.34Å; Y119-M135 CarbonylContact C-O 3.59Å; Y119-M135 VanDerWaalsContact CA-O 3.24Å; Y119-M135 WeakPolarHBondContact CA-O 3.38Å; Y119-E136 HydrophobicContact CD1-CB 3.9Å; Y119-E136 HydrophobicContact CD1-CG 4.21Å; Y119-E136 HydrophobicContact CE1-CB 3.74Å; Y119-E136 HydrophobicContact CE1-CG 3.76Å |
| 120 | I | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 131.9 | 165 | -60.3 | -57.2 | 0 | 0 | 0 | 108.7 | L89 V110 K111 M131 P134 M135 L137 F152 F192 | L89-I120 HydrophobicContact CD1-CD1 3.79Å; V110-I120 WeakPolarHBondContact O-CA 3.31Å; K111-I120 HydrophobicContact CB-CD1 4.17Å; K111-I120 HydrophobicContact CG-CD1 4.39Å; I120-M131 HydrophobicContact CG2-CE 4.21Å; I120-P134 WeakPolarHBondContact O-CA 3.34Å; I120-M135 PolarHBondContact N-O 2.76Å; I120-M135 PolarHBondContact O-N 2.87Å; I120-L137 HydrophobicContact CD1-CD1 4Å; I120-L137 HydrophobicContact CD1-CD2 4.1Å; I120-L137 HydrophobicContact CD1-CG 4.23Å; I120-L137 HydrophobicContact CG1-CD1 4.29Å; I120-L137 HydrophobicContact CG1-CD2 3.66Å; I120-L137 HydrophobicContact CG1-CG 3.95Å; I120-F152 HydrophobicContact CB-CE2 4.04Å; I120-F152 HydrophobicContact CB-CZ 3.75Å; I120-F152 HydrophobicContact CG1-CE2 3.83Å; I120-F152 HydrophobicContact CG1-CZ 3.59Å; I120-F152 HydrophobicContact CG2-CZ 4.21Å; I120-F192 HydrophobicContact CD1-CE2 3.86Å; I120-F192 HydrophobicContact CD1-CZ 4.08Å; I120-F192 HydrophobicContact CG1-CE2 4.27Å; I120-F192 HydrophobicContact CG1-CZ 3.95Å |
| 121 | V | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 120.8 | 171.3 | -172.4 | 0 | 0 | 0 | 0 | 106.9 | L24 F28 L75 V110 V112 P134 | L24-V121 HydrophobicContact CD1-CG2 4.25Å; L24-V121 HydrophobicContact CD2-CG2 4.02Å; L24-V121 HydrophobicContact CG-CG2 4.41Å; F28-V121 HydrophobicContact CB-CG1 4.34Å; F28-V121 HydrophobicContact CD1-CG1 4.37Å; F28-V121 HydrophobicContact CD2-CG1 3.43Å; F28-V121 VanDerWaalsContact CD2-CG1 3.43Å; F28-V121 HydrophobicContact CE2-CG1 3.7Å; F28-V121 HydrophobicContact CG-CG1 3.8Å; F28-V121 HydrophobicContact CZ-CG1 4.26Å; L75-V121 HydrophobicContact CD2-CG1 3.63Å; V110-V121 WeakPolarHBondContact CA-O 3.32Å; V110-V121 HydrophobicContact CB-CB 4.43Å; V110-V121 WeakPolarHBondContact CB-O 3.44Å; V110-V121 PolarHBondContact N-O 3.09Å; V110-V121 PolarHBondContact O-N 3.31Å; V110-V121 VanDerWaalsContact O-O 3.12Å; V112-V121 HydrophobicContact CG2-CG2 3.82Å; V121-P134 HydrophobicContact CG2-CB 3.95Å; V121-P134 HydrophobicContact CG2-CG 4.15Å |
| 122 | D | 98.6 | Very high | 97.3 | Very high | 3 Ų | 3 | 26.4 Ų | 26.4 | 2% | 0.016 | 15% | 0.147 | C | C | . | . | trans | -138.5 | 103.9 | -178.2 | 178.3 | 7.9 | 0 | 0 | 0 | 108.6 | F28 N72 H107 L109 G124 Q130 M131 | F28-D122 WeakPolarHBondContact CZ-O 3.5Å; N72-D122 PolarHBondContact ND2-OD1 2.73Å; H107-D122 IonicContact CD2-OD2 3.83Å; H107-D122 IonicContact CE1-OD1 2.77Å; H107-D122 IonicContact CE1-OD2 3.09Å; H107-D122 IonicContact NE2-OD1 3.97Å; H107-D122 IonicContact NE2-OD2 3.22Å; H107-D122 PolarHBondContact NE2-OD2 2.99Å; L109-D122 HydrophobicContact CD2-CB 3.71Å; L109-D122 VanDerWaalsContact CD2-CG 3.41Å; L109-D122 WeakPolarHBondContact CD2-OD2 3.45Å; D122-G124 VanDerWaalsContact C-N 3.33Å; D122-G124 WeakPolarHBondContact OD1-CA 3.17Å; D122-G124 PolarHBondContact OD1-N 3.15Å; D122-Q130 PolarHBondContact O-NE2 2.97Å; D122-M131 HydrophobicContact CB-CE 4.02Å; D122-M131 HydrophobicContact CB-SD 4.39Å | ||
| 123 | G | 96.8 | Very high | 97.3 | Very high | 3 Ų | 3 | 30.5 Ų | 30.5 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -94.9 | 12 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | N72 | N72-G123 PolarHBondContact OD1-N 3.1Š|
| 124 | G | 95.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -121.4 | 7.8 | -162.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | F37 C68 D122 | F37-G124 WeakPolarHBondContact CD2-O 3.36Å; F37-G124 WeakPolarHBondContact CE2-O 3.23Å; C68-G124 WeakPolarHBondContact CA-O 3.23Å; C68-G124 VanDerWaalsContact CB-O 3.23Å; C68-G124 WeakPolarHBondContact CB-O 3.09Å; D122-G124 VanDerWaalsContact C-N 3.33Å; D122-G124 WeakPolarHBondContact OD1-CA 3.17Å; D122-G124 PolarHBondContact OD1-N 3.15Å |
| 125 | F | 96.8 | Very high | 97.3 | Very high | 29 Ų | 29 | 28.2 Ų | 28.2 | 13% | 0.127 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -93.5 | -42.2 | 178 | -157.7 | -75.7 | 0 | 0 | 0 | 112.6 | V93 H107 Y129 V189 Y190 | V93-F125 HydrophobicContact CG1-CE2 4.15Å; V93-F125 HydrophobicContact CG1-CZ 4.13Å; V93-F125 HydrophobicContact CG2-CE2 4.29Å; H107-F125 AromaticContact CE1-CD2 3.83Å; H107-F125 AromaticContact NE2-CD2 3.66Å; F125-Y129 HydrophobicContact CD1-CD2 4.02Å; F125-Y129 HydrophobicContact CD1-CG 4.12Å; F125-Y129 AromaticContact CE1-CD2 3.47Å; F125-Y129 HydrophobicContact CE1-CD2 3.47Å; F125-Y129 VanDerWaalsContact CE1-CD2 3.47Å; F125-Y129 HydrophobicContact CE1-CE2 4.44Å; F125-Y129 AromaticContact CE1-CG 3.77Å; F125-Y129 HydrophobicContact CE1-CG 3.77Å; F125-V189 HydrophobicContact CD1-CG1 4.41Å; F125-V189 HydrophobicContact CD2-CG1 3.99Å; F125-V189 HydrophobicContact CE1-CG1 3.94Å; F125-V189 HydrophobicContact CE2-CG1 3.5Å; F125-V189 HydrophobicContact CG-CG1 4.42Å; F125-V189 HydrophobicContact CZ-CG1 3.45Å; F125-V189 VanDerWaalsContact CZ-CG1 3.45Å; F125-Y190 AromaticContact CD2-CD1 3.82Å; F125-Y190 HydrophobicContact CD2-CD1 3.82Å; F125-Y190 HydrophobicContact CD2-CE1 4.08Å; F125-Y190 AromaticContact CE2-CD1 3.81Å; F125-Y190 HydrophobicContact CE2-CD1 3.81Å; F125-Y190 HydrophobicContact CE2-CE1 4.49Å |
| 126 | G | 93.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | trans | 80.2 | -174.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y129 Q130 T224 | G126-Y129 PolarHBondContact O-N 3.19Å; G126-Q130 PolarHBondContact O-N 3.46Å; G126-Q130 VanDerWaalsContact O-N 3.1Å; G126-T224 WeakPolarHBondContact CA-OG1 3.32Å | ||
| 127 | V | 95.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | G | 310 helix | trans | 46.2 | -147.5 | -178.6 | -57 | 0 | 0 | 0 | 0 | 113.9 | Y129 T224 Q226 F231 A233 Y288 I290 | V127-Y129 HydrophobicContact CG2-CD2 3.34Å; V127-Y129 HydrophobicContact CG2-CE2 3.84Å; V127-Y129 HydrophobicContact CG2-CG 4.24Å; V127-Y129 PolarHBondContact O-N 2.95Å; V127-T224 HydrophobicContact CG1-CG2 3.6Å; V127-T224 PolarHBondContact N-OG1 3.1Å; V127-Q226 PolarHBondContact O-NE2 2.8Å; V127-F231 HydrophobicContact CB-CD2 4.37Å; V127-F231 HydrophobicContact CB-CE2 3.82Å; V127-F231 HydrophobicContact CB-CZ 4.15Å; V127-F231 HydrophobicContact CG1-CE2 4.16Å; V127-A233 HydrophobicContact CG1-CB 4.38Å; V127-Y288 HydrophobicContact CG1-CE1 4.31Å; V127-Y288 WeakPolarHBondContact CG1-OH 3.46Å; V127-I290 HydrophobicContact CB-CB 4.38Å; V127-I290 HydrophobicContact CG1-CB 4.34Å; V127-I290 HydrophobicContact CG1-CG2 3.98Å |
| 128 | S | 95 | Very high | 97.6 | Very high | 3 Ų | 3 | 15.6 Ų | 15.6 | 2% | 0.021 | 8% | 0.082 | C | C | . | . | G | 310 helix | trans | -72.1 | -2.6 | 176.4 | 71.4 | 0 | 0 | 0 | 0 | 115.1 | K163 R165 Y244 I290 | S128-K163 WeakPolarHBondContact O-CD 3.14Å; S128-K163 WeakPolarHBondContact O-CE 3.44Å; S128-K163 PolarHBondContact O-NZ 2.83Å; S128-R165 PolarHBondContact OG-NH1 3.49Å; S128-Y244 WeakPolarHBondContact CA-OH 3.25Å; S128-I290 WeakPolarHBondContact CB-OXT 3.37Å; S128-I290 PolarHBondContact N-OXT 2.66Å; S128-I290 PolarHBondContact OG-OXT 2.86Å |
| 129 | Y | 96.3 | Very high | 97.6 | Very high | 9 Ų | 9 | 17 Ų | 17 | 4% | 0.035 | 9% | 0.09 | C | C | . | . | G | 310 helix | trans | -96.1 | -6.4 | -179.6 | -52.9 | -58.3 | 0 | 0 | 0 | 112.9 | F125 G126 V127 M131 F150 K163 R165 R187 V189 T289 | F125-Y129 HydrophobicContact CD1-CD2 4.02Å; F125-Y129 HydrophobicContact CD1-CG 4.12Å; F125-Y129 AromaticContact CE1-CD2 3.47Å; F125-Y129 HydrophobicContact CE1-CD2 3.47Å; F125-Y129 VanDerWaalsContact CE1-CD2 3.47Å; F125-Y129 HydrophobicContact CE1-CE2 4.44Å; F125-Y129 AromaticContact CE1-CG 3.77Å; F125-Y129 HydrophobicContact CE1-CG 3.77Å; G126-Y129 PolarHBondContact O-N 3.19Å; V127-Y129 HydrophobicContact CG2-CD2 3.34Å; V127-Y129 HydrophobicContact CG2-CE2 3.84Å; V127-Y129 HydrophobicContact CG2-CG 4.24Å; V127-Y129 PolarHBondContact O-N 2.95Å; Y129-M131 PolarHBondContact O-N 2.91Å; Y129-F150 WeakPolarHBondContact O-CE1 3.31Å; Y129-K163 HydrophobicContact CD1-CD 4.14Å; Y129-R165 PolarHBondContact OH-NH1 2.88Å; Y129-R187 HydrophobicContact CD1-CG 4.32Å; Y129-R187 HydrophobicContact CE1-CB 4.23Å; Y129-R187 HydrophobicContact CE1-CG 3.56Å; Y129-V189 HydrophobicContact CD1-CG2 4.4Å; Y129-T289 WeakPolarHBondContact CE2-O 3.02Å; Y129-T289 PolarHBondContact OH-OG1 3.14Å |
| 130 | Q | 98.3 | Very high | 97.6 | Very high | 4 Ų | 4 | 18.4 Ų | 18.4 | 2% | 0.019 | 11% | 0.11 | C | C | . | . | trans | -67.3 | 118.6 | 174.8 | -176.6 | 51.9 | 59.7 | 0 | 0 | 110.8 | I32 D122 G126 P147 Q226 | I32-Q130 HydrophobicContact CB-CG 4.44Å; I32-Q130 HydrophobicContact CD1-CG 4.37Å; I32-Q130 HydrophobicContact CG2-CG 4.42Å; D122-Q130 PolarHBondContact O-NE2 2.97Å; G126-Q130 PolarHBondContact O-N 3.46Å; G126-Q130 VanDerWaalsContact O-N 3.1Å; Q130-P147 WeakPolarHBondContact O-CG 3.36Å; Q130-Q226 HydrophobicContact CB-CG 4.26Å; Q130-Q226 HydrophobicContact CG-CG 3.62Å | ||
| 131 | M | 98.4 | Very high | 97.6 | Very high | 3 Ų | 3 | 22.6 Ų | 22.6 | 2% | 0.015 | 13% | 0.128 | C | C | . | . | trans | -69.6 | 146.7 | 168.5 | 64 | -174.6 | 74.1 | 0 | 0 | 110.5 | F28 I120 D122 Y129 M135 F150 L161 | F28-M131 HydrophobicContact CE1-CG 3.88Å; F28-M131 WeakPolarHBondContact CE1-O 3.29Å; F28-M131 HydrophobicContact CZ-CG 3.74Å; F28-M131 WeakPolarHBondContact CZ-O 3.39Å; I120-M131 HydrophobicContact CG2-CE 4.21Å; D122-M131 HydrophobicContact CB-CE 4.02Å; D122-M131 HydrophobicContact CB-SD 4.39Å; Y129-M131 PolarHBondContact O-N 2.91Å; M131-M135 HydrophobicContact CB-CG 4.22Å; M131-M135 HydrophobicContact CE-CB 4.41Å; M131-M135 HydrophobicContact CE-CG 3.91Å; M131-M135 HydrophobicContact SD-CB 4.03Å; M131-M135 HydrophobicContact SD-CG 3.54Å; M131-M135 VanDerWaalsContact SD-CG 3.54Å; M131-F150 HydrophobicContact CB-CE2 4.42Å; M131-F150 HydrophobicContact CB-CZ 4.37Å; M131-L161 HydrophobicContact CE-CD2 4.38Å | ||
| 132 | W | 98.7 | Very high | 97.6 | Very high | 17 Ų | 17 | 26.2 Ų | 26.2 | 6% | 0.064 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -103.7 | -11 | 178.2 | -79.2 | 23.2 | 0 | 0 | 0 | 113.2 | Q29 I32 A146 P147 T227 G230 Y244 | Q29-W132 WeakPolarHBondContact CG-O 3.46Å; Q29-W132 PolarHBondContact NE2-O 2.95Å; Q29-W132 VanDerWaalsContact NE2-O 3.12Å; I32-W132 HydrophobicContact CD1-CB 4.39Å; I32-W132 HydrophobicContact CD1-CG 4.09Å; W132-A146 HydrophobicContact CD2-CB 4.1Å; W132-A146 HydrophobicContact CE3-CB 3.47Å; W132-A146 VanDerWaalsContact CE3-CB 3.47Å; W132-A146 HydrophobicContact CH2-CB 4.19Å; W132-A146 HydrophobicContact CZ3-CB 3.52Å; W132-P147 HydrophobicContact CB-CG 4.42Å; W132-P147 HydrophobicContact CD2-CG 4.04Å; W132-P147 HydrophobicContact CG-CG 3.7Å; W132-T227 WeakPolarHBondContact CH2-O 3.44Å; W132-T227 WeakPolarHBondContact CZ2-O 3.19Å; W132-G230 WeakPolarHBondContact CZ2-O 3.41Å; W132-Y244 AromaticContact CE2-CE2 3.94Å; W132-Y244 HydrophobicContact CH2-CD2 4.14Å; W132-Y244 HydrophobicContact CH2-CE2 4.33Å; W132-Y244 AromaticContact CZ2-CD2 3.82Å; W132-Y244 HydrophobicContact CZ2-CD2 3.82Å; W132-Y244 AromaticContact CZ2-CE2 3.56Å; W132-Y244 HydrophobicContact CZ2-CE2 3.56Å |
| 133 | Q | 98.8 | Very high | 97.6 | Very high | 86 Ų | 86 | 27.1 Ų | 27.1 | 40% | 0.402 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -135.7 | 149.6 | 177.3 | -58.7 | 170.3 | -10.8 | 0 | 0 | 109 | T25 M135 Q145 | T25-Q133 HydrophobicContact CG2-CB 4.31Å; T25-Q133 HydrophobicContact CG2-CG 3.98Å; Q133-M135 PolarHBondContact O-N 3.48Å; Q133-Q145 PolarHBondContact O-NE2 2.75Å; Q133-Q145 VanDerWaalsContact O-NE2 3.09Å |
| 134 | P | 98.7 | Very high | 97.6 | Very high | 10 Ų | 10 | 31.5 Ų | 31.5 | 7% | 0.065 | 18% | 0.18 | C | C | . | . | P | Polyproline II helix | trans | -51.5 | 129 | 169.9 | -24.7 | 34.5 | 0 | 0 | 0 | 110.8 | L21 L24 T25 Y119 I120 V121 | L21-P134 HydrophobicContact CD1-CB 3.93Å; L21-P134 HydrophobicContact CD1-CG 4Å; L24-P134 HydrophobicContact CD2-CB 4.04Å; L24-P134 HydrophobicContact CD2-CG 3.7Å; L24-P134 HydrophobicContact CG-CG 3.71Å; T25-P134 VanDerWaalsContact OG1-CD 3.26Å; T25-P134 WeakPolarHBondContact OG1-CD 3.43Å; Y119-P134 HydrophobicContact CD1-CB 4.18Å; Y119-P134 HydrophobicContact CG-CB 4.34Å; I120-P134 WeakPolarHBondContact O-CA 3.34Å; V121-P134 HydrophobicContact CG2-CB 3.95Å; V121-P134 HydrophobicContact CG2-CG 4.15Å |
| 135 | M | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 117.5 | -176.3 | -77.9 | -75.1 | -63.4 | 0 | 0 | 110.2 | Y119 I120 M131 Q133 Q143 Q145 F150 F152 L161 | Y119-M135 CarbonylContact C-O 3.59Å; Y119-M135 VanDerWaalsContact CA-O 3.24Å; Y119-M135 WeakPolarHBondContact CA-O 3.38Å; I120-M135 PolarHBondContact N-O 2.76Å; I120-M135 PolarHBondContact O-N 2.87Å; M131-M135 HydrophobicContact CB-CG 4.22Å; M131-M135 HydrophobicContact CE-CB 4.41Å; M131-M135 HydrophobicContact CE-CG 3.91Å; M131-M135 HydrophobicContact SD-CB 4.03Å; M131-M135 HydrophobicContact SD-CG 3.54Å; M131-M135 VanDerWaalsContact SD-CG 3.54Å; Q133-M135 PolarHBondContact O-N 3.48Å; M135-Q143 HydrophobicContact CE-CB 3.82Å; M135-Q143 HydrophobicContact CE-CG 4.11Å; M135-Q143 HydrophobicContact SD-CB 3.67Å; M135-Q143 HydrophobicContact SD-CG 4.32Å; M135-Q145 PolarHBondContact SD-NE2 2.75Å; M135-F150 HydrophobicContact CE-CB 3.29Å; M135-F150 HydrophobicContact CE-CG 4.39Å; M135-F150 HydrophobicContact SD-CB 3.67Å; M135-F150 HydrophobicContact SD-CG 4.33Å; M135-F152 HydrophobicContact CB-CD2 4.3Å; M135-F152 HydrophobicContact CB-CE2 3.44Å; M135-F152 VanDerWaalsContact CB-CE2 3.44Å; M135-F152 HydrophobicContact CB-CZ 4.01Å; M135-F152 HydrophobicContact CE-CD2 4.15Å; M135-F152 HydrophobicContact CE-CE2 4.17Å; M135-F152 HydrophobicContact CG-CE2 4.43Å; M135-L161 HydrophobicContact CE-CD1 4.36Å |
| 136 | E | 98.8 | Very high | 97.8 | Very high | 35 Ų | 35 | 32.8 Ų | 32.8 | 16% | 0.164 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 135 | 179.1 | -161.1 | -175.6 | -173.6 | 0 | 0 | 110.3 | Y119 V138 K141 Q143 F152 | Y119-E136 HydrophobicContact CD1-CB 3.9Å; Y119-E136 HydrophobicContact CD1-CG 4.21Å; Y119-E136 HydrophobicContact CE1-CB 3.74Å; Y119-E136 HydrophobicContact CE1-CG 3.76Å; E136-V138 HydrophobicContact CB-CG2 4.4Å; E136-V138 HydrophobicContact CG-CG2 3.82Å; E136-V138 PolarHBondContact O-N 3.07Å; E136-K141 IonicContact OE2-NZ 2.76Å; E136-K141 PolarHBondContact OE2-NZ 3.09Å; E136-Q143 PolarHBondContact O-NE2 3.38Å; E136-F152 WeakPolarHBondContact O-CD2 3.22Å |
| 137 | L | 98.4 | Very high | 97.9 | Very high | 24 Ų | 24 | 32.7 Ų | 32.7 | 13% | 0.126 | 19% | 0.193 | C | C | . | . | trans | -77 | 71.5 | 177.8 | -77.5 | 174.3 | 0 | 0 | 0 | 111.2 | K111 A118 I120 F152 W159 F192 L194 | K111-L137 HydrophobicContact CD-CD1 4.28Å; K111-L137 HydrophobicContact CG-CD1 4.36Å; A118-L137 HydrophobicContact CB-CB 4.33Å; A118-L137 HydrophobicContact CB-CD1 3.81Å; A118-L137 HydrophobicContact CB-CG 4.5Å; A118-L137 WeakPolarHBondContact O-CB 3.31Å; A118-L137 PolarHBondContact O-N 3.3Å; I120-L137 HydrophobicContact CD1-CD1 4Å; I120-L137 HydrophobicContact CD1-CD2 4.1Å; I120-L137 HydrophobicContact CD1-CG 4.23Å; I120-L137 HydrophobicContact CG1-CD1 4.29Å; I120-L137 HydrophobicContact CG1-CD2 3.66Å; I120-L137 HydrophobicContact CG1-CG 3.95Å; L137-F152 HydrophobicContact CD2-CD2 4.01Å; L137-F152 HydrophobicContact CD2-CE2 3.97Å; L137-F152 HydrophobicContact CD2-CG 4.46Å; L137-F152 HydrophobicContact CD2-CZ 4.45Å; L137-W159 HydrophobicContact CB-CH2 4.04Å; L137-W159 HydrophobicContact CB-CZ2 4.36Å; L137-W159 HydrophobicContact CB-CZ3 4.33Å; L137-W159 HydrophobicContact CD2-CD2 3.91Å; L137-W159 HydrophobicContact CD2-CE3 3.8Å; L137-W159 HydrophobicContact CD2-CG 4.47Å; L137-W159 HydrophobicContact CD2-CH2 4.36Å; L137-W159 HydrophobicContact CD2-CZ2 4.47Å; L137-W159 HydrophobicContact CD2-CZ3 4.03Å; L137-W159 WeakPolarHBondContact O-CH2 3.32Å; L137-F192 HydrophobicContact CD2-CE2 4.21Å; L137-F192 HydrophobicContact CD2-CZ 3.87Å; L137-L194 HydrophobicContact CD1-CD2 3.8Å | ||
| 138 | V | 98.6 | Very high | 98 | Very high | 55 Ų | 55 | 32.9 Ų | 32.9 | 33% | 0.333 | 20% | 0.195 | S | C | . | . | trans | -121.1 | 115 | 173.7 | -177.2 | 0 | 0 | 0 | 0 | 109.2 | E136 G140 K141 | E136-V138 HydrophobicContact CB-CG2 4.4Å; E136-V138 HydrophobicContact CG-CG2 3.82Å; E136-V138 PolarHBondContact O-N 3.07Å; V138-G140 PolarHBondContact O-N 3.15Å; V138-K141 HydrophobicContact CB-CB 3.89Å; V138-K141 HydrophobicContact CB-CD 3.95Å; V138-K141 HydrophobicContact CG1-CB 3.79Å; V138-K141 HydrophobicContact CG1-CD 4.15Å; V138-K141 HydrophobicContact CG2-CD 4.3Å; V138-K141 PolarHBondContact O-N 3.45Å | ||
| 139 | S | 98.6 | Very high | 98.2 | Very high | 58 Ų | 58 | 34.7 Ų | 34.7 | 41% | 0.406 | 21% | 0.205 | S | C | . | . | B | Isolated β-bridge | trans | -63.2 | 132.4 | -179.9 | -174.1 | 0 | 0 | 0 | 0 | 111.3 | K141 F152 E154 | S139-K141 PolarHBondContact O-N 3.5Å; S139-F152 CarbonylContact C-O 3.52Å; S139-F152 WeakPolarHBondContact CA-O 3.36Å; S139-E154 PolarHBondContact OG-N 3.38Å |
| 140 | G | 98.4 | Very high | 98.3 | Very high | 46 Ų | 46 | 34.2 Ų | 34.2 | 47% | 0.474 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | -5.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | V138 D142 F152 | V138-G140 PolarHBondContact O-N 3.15Å; G140-D142 PolarHBondContact O-N 3.49Å; G140-F152 PolarHBondContact N-O 2.78Å |
| 141 | K | 98.6 | Very high | 98.3 | Very high | 88 Ų | 88 | 37.6 Ų | 37.6 | 38% | 0.383 | 22% | 0.216 | S | C | . | . | trans | -77.4 | 122.2 | -179 | -178.3 | 178.4 | 175 | 178.8 | 0 | 111 | E136 V138 S139 Q143 | E136-K141 IonicContact OE2-NZ 2.76Å; E136-K141 PolarHBondContact OE2-NZ 3.09Å; V138-K141 HydrophobicContact CB-CB 3.89Å; V138-K141 HydrophobicContact CB-CD 3.95Å; V138-K141 HydrophobicContact CG1-CB 3.79Å; V138-K141 HydrophobicContact CG1-CD 4.15Å; V138-K141 HydrophobicContact CG2-CD 4.3Å; V138-K141 PolarHBondContact O-N 3.45Å; S139-K141 PolarHBondContact O-N 3.5Å; K141-Q143 HydrophobicContact CD-CG 4.32Å; K141-Q143 HydrophobicContact CG-CG 4.09Å | ||
| 142 | D | 98.7 | Very high | 98.3 | Very high | 77 Ų | 77 | 37.5 Ų | 37.5 | 41% | 0.412 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 128.7 | 165.8 | -78.6 | -22.1 | 0 | 0 | 0 | 110.6 | G140 V149 R151 M164 | G140-D142 PolarHBondContact O-N 3.49Å; D142-V149 HydrophobicContact CB-CG1 3.84Å; D142-R151 IonicContact OD1-CZ 3.72Å; D142-R151 IonicContact OD1-NE 3.2Å; D142-R151 PolarHBondContact OD1-NE 3.5Å; D142-R151 IonicContact OD1-NH2 3.1Å; D142-R151 PolarHBondContact OD1-NH2 3.46Å; D142-R151 IonicContact OD2-CZ 2.7Å; D142-R151 IonicContact OD2-NH2 2.97Å; D142-R151 PolarHBondContact OD2-NH2 3.5Å; D142-M164 WeakPolarHBondContact OD1-CE 3.39Å |
| 143 | Q | 98.6 | Very high | 98.3 | Very high | 21 Ų | 21 | 39 Ų | 39 | 10% | 0.098 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 87.9 | 179.3 | -62.2 | -175.9 | 69.2 | 0 | 0 | 108.4 | M135 E136 K141 Q145 F150 | M135-Q143 HydrophobicContact CE-CB 3.82Å; M135-Q143 HydrophobicContact CE-CG 4.11Å; M135-Q143 HydrophobicContact SD-CB 3.67Å; M135-Q143 HydrophobicContact SD-CG 4.32Å; E136-Q143 PolarHBondContact O-NE2 3.38Å; K141-Q143 HydrophobicContact CD-CG 4.32Å; K141-Q143 HydrophobicContact CG-CG 4.09Å; Q143-Q145 PolarHBondContact O-N 3.16Å; Q143-F150 PolarHBondContact N-O 2.99Å; Q143-F150 PolarHBondContact O-N 3.07Å; Q143-F150 VanDerWaalsContact O-N 3.07Å |
| 144 | P | 98.4 | Very high | 98.3 | Very high | 95 Ų | 95 | 38.2 Ų | 38.2 | 62% | 0.617 | 22% | 0.223 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 130.3 | 177.5 | -19.7 | 32.9 | 0 | 0 | 0 | 111.4 | V149 | P144-V149 HydrophobicContact CB-CG2 4.22Å; P144-V149 HydrophobicContact CG-CG1 4.47Å; P144-V149 HydrophobicContact CG-CG2 4.4Å |
| 145 | Q | 98.1 | Very high | 98.3 | Very high | 14 Ų | 14 | 44 Ų | 44 | 7% | 0.065 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 173 | 174.2 | -60.2 | -170.7 | 7.1 | 0 | 0 | 110 | Q133 M135 Q143 P147 G148 F150 | Q133-Q145 PolarHBondContact O-NE2 2.75Å; Q133-Q145 VanDerWaalsContact O-NE2 3.09Å; M135-Q145 PolarHBondContact SD-NE2 2.75Å; Q143-Q145 PolarHBondContact O-N 3.16Å; Q145-P147 VanDerWaalsContact C-N 3.35Å; Q145-G148 CarbonylContact C-O 3.52Å; Q145-G148 PolarHBondContact N-O 3.36Å; Q145-G148 PolarHBondContact O-N 3.22Å; Q145-F150 HydrophobicContact CB-CD2 4.33Å; Q145-F150 HydrophobicContact CB-CE2 4.33Å; Q145-F150 HydrophobicContact CG-CD2 4.29Å |
| 146 | A | 96.9 | Very high | 98.2 | Very high | 42 Ų | 42 | 50.7 Ų | 50.7 | 35% | 0.347 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -42 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | W132 G148 R166 | W132-A146 HydrophobicContact CD2-CB 4.1Å; W132-A146 HydrophobicContact CE3-CB 3.47Å; W132-A146 VanDerWaalsContact CE3-CB 3.47Å; W132-A146 HydrophobicContact CH2-CB 4.19Å; W132-A146 HydrophobicContact CZ3-CB 3.52Å; A146-G148 PolarHBondContact O-N 2.77Å; A146-R166 VanDerWaalsContact O-CZ 3.27Å; A146-R166 PolarHBondContact O-NH1 3.21Å; A146-R166 PolarHBondContact O-NH2 3.29Å |
| 147 | P | 97.1 | Very high | 98.1 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -14.4 | 177.3 | -23.7 | 36.4 | 0 | 0 | 0 | 115.5 | Q130 W132 Q145 F150 K163 Y244 | Q130-P147 WeakPolarHBondContact O-CG 3.36Å; W132-P147 HydrophobicContact CB-CG 4.42Å; W132-P147 HydrophobicContact CD2-CG 4.04Å; W132-P147 HydrophobicContact CG-CG 3.7Å; Q145-P147 VanDerWaalsContact C-N 3.35Å; P147-F150 HydrophobicContact CB-CE2 4.1Å; P147-F150 HydrophobicContact CB-CZ 4.22Å; P147-F150 HydrophobicContact CG-CE2 4.43Å; P147-K163 WeakPolarHBondContact O-CE 3.19Å; P147-K163 PolarHBondContact O-NZ 2.78Å; P147-Y244 HydrophobicContact CB-CE1 4.14Å; P147-Y244 HydrophobicContact CB-CE2 3.93Å; P147-Y244 HydrophobicContact CG-CD2 4.45Å; P147-Y244 HydrophobicContact CG-CE2 3.81Å |
| 148 | G | 96.8 | Very high | 98.1 | Very high | 4 Ų | 4 | 53.8 Ų | 53.8 | 4% | 0.041 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 138 | -167.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q145 A146 | Q145-G148 CarbonylContact C-O 3.52Å; Q145-G148 PolarHBondContact N-O 3.36Å; Q145-G148 PolarHBondContact O-N 3.22Å; A146-G148 PolarHBondContact O-N 2.77Å |
| 149 | V | 98.4 | Very high | 98.2 | Very high | 40 Ų | 40 | 52.5 Ų | 52.5 | 24% | 0.242 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 126.5 | 179.2 | -173.7 | 0 | 0 | 0 | 0 | 109 | D142 P144 K163 M164 | D142-V149 HydrophobicContact CB-CG1 3.84Å; P144-V149 HydrophobicContact CB-CG2 4.22Å; P144-V149 HydrophobicContact CG-CG1 4.47Å; P144-V149 HydrophobicContact CG-CG2 4.4Å; V149-K163 CarbonylContact O-C 3.56Å; V149-K163 WeakPolarHBondContact O-CA 3.41Å; V149-M164 HydrophobicContact CB-CB 4.3Å; V149-M164 HydrophobicContact CB-CE 3.76Å; V149-M164 HydrophobicContact CG1-CE 3.4Å; V149-M164 PolarHBondContact N-O 3.1Å; V149-M164 PolarHBondContact O-N 2.8Å |
| 150 | F | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 149.4 | 173.5 | -65.3 | -91.5 | 0 | 0 | 0 | 109.8 | Y129 M131 M135 Q143 Q145 P147 L161 E162 K163 | Y129-F150 WeakPolarHBondContact O-CE1 3.31Å; M131-F150 HydrophobicContact CB-CE2 4.42Å; M131-F150 HydrophobicContact CB-CZ 4.37Å; M135-F150 HydrophobicContact CE-CB 3.29Å; M135-F150 HydrophobicContact CE-CG 4.39Å; M135-F150 HydrophobicContact SD-CB 3.67Å; M135-F150 HydrophobicContact SD-CG 4.33Å; Q143-F150 PolarHBondContact N-O 2.99Å; Q143-F150 PolarHBondContact O-N 3.07Å; Q143-F150 VanDerWaalsContact O-N 3.07Å; Q145-F150 HydrophobicContact CB-CD2 4.33Å; Q145-F150 HydrophobicContact CB-CE2 4.33Å; Q145-F150 HydrophobicContact CG-CD2 4.29Å; P147-F150 HydrophobicContact CB-CE2 4.1Å; P147-F150 HydrophobicContact CB-CZ 4.22Å; P147-F150 HydrophobicContact CG-CE2 4.43Å; F150-L161 HydrophobicContact CB-CD1 4.23Å; F150-L161 HydrophobicContact CD1-CD1 4.07Å; F150-L161 HydrophobicContact CD1-CD2 4.41Å; F150-E162 WeakPolarHBondContact CA-O 3.17Å; F150-K163 HydrophobicContact CD1-CB 3.97Å; F150-K163 HydrophobicContact CD1-CD 4.3Å; F150-K163 HydrophobicContact CD1-CG 4.04Å; F150-K163 HydrophobicContact CE1-CB 4.05Å; F150-K163 HydrophobicContact CE1-CD 3.63Å; F150-K163 HydrophobicContact CE1-CG 3.88Å; F150-K163 HydrophobicContact CZ-CD 3.77Å; F150-K163 HydrophobicContact CZ-CG 4.27Å |
| 151 | R | 98.8 | Very high | 98.2 | Very high | 75 Ų | 75 | 50.2 Ų | 50.2 | 28% | 0.283 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 132.7 | 176.5 | -174.2 | -176 | -64.4 | 166.4 | -3.3 | 109.7 | D142 E162 M164 | D142-R151 IonicContact OD1-CZ 3.72Å; D142-R151 IonicContact OD1-NE 3.2Å; D142-R151 PolarHBondContact OD1-NE 3.5Å; D142-R151 IonicContact OD1-NH2 3.1Å; D142-R151 PolarHBondContact OD1-NH2 3.46Å; D142-R151 IonicContact OD2-CZ 2.7Å; D142-R151 IonicContact OD2-NH2 2.97Å; D142-R151 PolarHBondContact OD2-NH2 3.5Å; R151-E162 PolarHBondContact N-O 3.16Å; R151-E162 PolarHBondContact O-N 3.48Å; R151-M164 HydrophobicContact CB-CE 4.33Å |
| 152 | F | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 134.5 | 163 | -78.6 | -48.7 | 0 | 0 | 0 | 109.7 | I120 M135 E136 L137 S139 G140 W159 Y160 L161 F192 | I120-F152 HydrophobicContact CB-CE2 4.04Å; I120-F152 HydrophobicContact CB-CZ 3.75Å; I120-F152 HydrophobicContact CG1-CE2 3.83Å; I120-F152 HydrophobicContact CG1-CZ 3.59Å; I120-F152 HydrophobicContact CG2-CZ 4.21Å; M135-F152 HydrophobicContact CB-CD2 4.3Å; M135-F152 HydrophobicContact CB-CE2 3.44Å; M135-F152 VanDerWaalsContact CB-CE2 3.44Å; M135-F152 HydrophobicContact CB-CZ 4.01Å; M135-F152 HydrophobicContact CE-CD2 4.15Å; M135-F152 HydrophobicContact CE-CE2 4.17Å; M135-F152 HydrophobicContact CG-CE2 4.43Å; E136-F152 WeakPolarHBondContact O-CD2 3.22Å; L137-F152 HydrophobicContact CD2-CD2 4.01Å; L137-F152 HydrophobicContact CD2-CE2 3.97Å; L137-F152 HydrophobicContact CD2-CG 4.46Å; L137-F152 HydrophobicContact CD2-CZ 4.45Å; S139-F152 CarbonylContact C-O 3.52Å; S139-F152 WeakPolarHBondContact CA-O 3.36Å; G140-F152 PolarHBondContact N-O 2.78Å; F152-W159 HydrophobicContact CB-CE3 3.78Å; F152-W159 HydrophobicContact CB-CZ3 3.87Å; F152-W159 HydrophobicContact CG-CE3 4.22Å; F152-Y160 VanDerWaalsContact CA-O 3.31Å; F152-Y160 WeakPolarHBondContact CA-O 3.5Å; F152-L161 HydrophobicContact CD1-CB 4.15Å; F152-L161 HydrophobicContact CD1-CD1 3.94Å; F152-L161 HydrophobicContact CE1-CB 3.84Å; F152-L161 HydrophobicContact CE1-CD1 3.66Å; F152-L161 HydrophobicContact CE1-CG 4.26Å; F152-L161 HydrophobicContact CZ-CD1 4.19Å; F152-F192 HydrophobicContact CD1-CE1 4.12Å; F152-F192 HydrophobicContact CD1-CZ 4.31Å; F152-F192 AromaticContact CE1-CE1 3.64Å; F152-F192 HydrophobicContact CE1-CE1 3.64Å; F152-F192 AromaticContact CE1-CZ 3.84Å; F152-F192 HydrophobicContact CE1-CZ 3.84Å; F152-F192 HydrophobicContact CZ-CE1 4.4Å; F152-F192 HydrophobicContact CZ-CZ 4.24Å |
| 153 | T | 98.6 | Very high | 98.1 | Very high | 48 Ų | 48 | 44.4 Ų | 44.4 | 29% | 0.294 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 136.3 | 167.2 | -56 | 0 | 0 | 0 | 0 | 108.2 | W159 Y160 | T153-W159 CarbonylContact O-C 3.59Å; T153-W159 WeakPolarHBondContact O-CA 3.17Å; T153-Y160 PolarHBondContact N-O 3.11Å; T153-Y160 WeakPolarHBondContact O-CD2 3.16Å; T153-Y160 PolarHBondContact O-N 3.03Å |
| 154 | E | 98.6 | Very high | 98 | Very high | 71 Ų | 71 | 45.2 Ų | 45.2 | 33% | 0.332 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 135.8 | 176.2 | -172.4 | -77.4 | 133.9 | 0 | 0 | 109.7 | S139 N156 A157 I158 W159 | S139-E154 PolarHBondContact OG-N 3.38Å; E154-N156 PolarHBondContact OE1-N 3.15Å; E154-N156 VanDerWaalsContact OE1-N 3.13Å; E154-A157 WeakPolarHBondContact OE1-CA 3.48Å; E154-A157 PolarHBondContact OE1-N 3.02Å; E154-I158 CarbonylContact C-O 3.52Å; E154-I158 WeakPolarHBondContact CA-O 3.47Å; E154-W159 HydrophobicContact CB-CD2 3.93Å; E154-W159 HydrophobicContact CB-CE3 3.98Å; E154-W159 HydrophobicContact CB-CH2 4.17Å; E154-W159 HydrophobicContact CB-CZ2 4.09Å; E154-W159 HydrophobicContact CB-CZ3 4.11Å; E154-W159 HydrophobicContact CG-CD2 4.06Å; E154-W159 HydrophobicContact CG-CG 4.41Å; E154-W159 HydrophobicContact CG-CZ2 4.02Å |
| 155 | K | 98.1 | Very high | 97.9 | Very high | 130 Ų | 130 | 41.3 Ų | 41.3 | 57% | 0.565 | 22% | 0.216 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 124.3 | 171.1 | -176.8 | -179.8 | -179.9 | 179.9 | 0 | 109.4 | A157 I158 Y160 | K155-A157 PolarHBondContact O-N 3.43Å; K155-I158 PolarHBondContact N-O 3.08Å; K155-I158 PolarHBondContact O-N 3.01Å; K155-I158 VanDerWaalsContact O-N 3.09Å; K155-Y160 HydrophobicContact CB-CE2 4.16Å |
| 156 | N | 96.9 | Very high | 97.7 | Very high | 142 Ų | 142 | 42.6 Ų | 42.6 | 76% | 0.759 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 46.5 | 176.8 | -57.5 | -24.9 | 0 | 0 | 0 | 113.4 | E154 I158 | E154-N156 PolarHBondContact OE1-N 3.15Å; E154-N156 VanDerWaalsContact OE1-N 3.13Å; N156-I158 PolarHBondContact O-N 3.3Å |
| 157 | A | 96.8 | Very high | 97.6 | Very high | 69 Ų | 69 | 48.1 Ų | 48.1 | 57% | 0.57 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | 10 | -175 | 0 | 0 | 0 | 0 | 0 | 115.8 | E154 K155 | E154-A157 WeakPolarHBondContact OE1-CA 3.48Å; E154-A157 PolarHBondContact OE1-N 3.02Å; K155-A157 PolarHBondContact O-N 3.43Å |
| 158 | I | 98.6 | Very high | 97.5 | Very high | 54 Ų | 54 | 50 Ų | 50 | 28% | 0.277 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 130.1 | 174.6 | -55 | -58 | 0 | 0 | 0 | 109.6 | E154 K155 N156 Y160 M191 | E154-I158 CarbonylContact C-O 3.52Å; E154-I158 WeakPolarHBondContact CA-O 3.47Å; K155-I158 PolarHBondContact N-O 3.08Å; K155-I158 PolarHBondContact O-N 3.01Å; K155-I158 VanDerWaalsContact O-N 3.09Å; N156-I158 PolarHBondContact O-N 3.3Å; I158-Y160 HydrophobicContact CB-CE2 4.07Å; I158-Y160 HydrophobicContact CG2-CD2 4.5Å; I158-Y160 HydrophobicContact CG2-CE1 4.1Å; I158-Y160 HydrophobicContact CG2-CE2 3.83Å; I158-Y160 WeakPolarHBondContact O-CE2 3.41Å; I158-M191 HydrophobicContact CG2-CB 4.1Å; I158-M191 HydrophobicContact CG2-SD 4.49Å |
| 159 | W | 98.8 | Very high | 97.4 | Very high | 28 Ų | 28 | 55 Ų | 55 | 11% | 0.106 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 139.6 | 177.3 | -69.7 | 82.4 | 0 | 0 | 0 | 110.5 | L137 F152 T153 E154 M191 F192 | L137-W159 HydrophobicContact CB-CH2 4.04Å; L137-W159 HydrophobicContact CB-CZ2 4.36Å; L137-W159 HydrophobicContact CB-CZ3 4.33Å; L137-W159 HydrophobicContact CD2-CD2 3.91Å; L137-W159 HydrophobicContact CD2-CE3 3.8Å; L137-W159 HydrophobicContact CD2-CG 4.47Å; L137-W159 HydrophobicContact CD2-CH2 4.36Å; L137-W159 HydrophobicContact CD2-CZ2 4.47Å; L137-W159 HydrophobicContact CD2-CZ3 4.03Å; L137-W159 WeakPolarHBondContact O-CH2 3.32Å; F152-W159 HydrophobicContact CB-CE3 3.78Å; F152-W159 HydrophobicContact CB-CZ3 3.87Å; F152-W159 HydrophobicContact CG-CE3 4.22Å; T153-W159 CarbonylContact O-C 3.59Å; T153-W159 WeakPolarHBondContact O-CA 3.17Å; E154-W159 HydrophobicContact CB-CD2 3.93Å; E154-W159 HydrophobicContact CB-CE3 3.98Å; E154-W159 HydrophobicContact CB-CH2 4.17Å; E154-W159 HydrophobicContact CB-CZ2 4.09Å; E154-W159 HydrophobicContact CB-CZ3 4.11Å; E154-W159 HydrophobicContact CG-CD2 4.06Å; E154-W159 HydrophobicContact CG-CG 4.41Å; E154-W159 HydrophobicContact CG-CZ2 4.02Å; W159-M191 CarbonylContact O-C 3.55Å; W159-M191 WeakPolarHBondContact O-CA 3.41Å; W159-F192 HydrophobicContact CB-CD1 3.91Å; W159-F192 HydrophobicContact CB-CD2 4.17Å; W159-F192 HydrophobicContact CB-CE1 3.45Å; W159-F192 VanDerWaalsContact CB-CE1 3.45Å; W159-F192 HydrophobicContact CB-CE2 3.76Å; W159-F192 HydrophobicContact CB-CG 4.25Å; W159-F192 HydrophobicContact CB-CZ 3.38Å; W159-F192 HydrophobicContact CG-CE2 4.11Å; W159-F192 AromaticContact CG-CZ 3.99Å; W159-F192 HydrophobicContact CG-CZ 3.99Å; W159-F192 PolarHBondContact N-O 3.42Å; W159-F192 PolarHBondContact O-N 2.73Å |
| 160 | Y | 98.8 | Very high | 97.3 | Very high | 56 Ų | 56 | 54.8 Ų | 54.8 | 22% | 0.22 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 126.8 | -179.6 | -59.9 | -86.5 | 0 | 0 | 0 | 109 | Y101 F152 T153 K155 I158 M191 | Y101-Y160 HydrophobicContact CE1-CD1 4.47Å; Y101-Y160 AromaticContact CE2-CD1 3.99Å; Y101-Y160 HydrophobicContact CE2-CD1 3.99Å; Y101-Y160 AromaticContact CE2-CE1 3.86Å; Y101-Y160 HydrophobicContact CE2-CE1 3.86Å; Y101-Y160 AromaticContact CZ-CD1 3.69Å; Y101-Y160 WeakPolarHBondContact OH-CD1 3.44Å; F152-Y160 VanDerWaalsContact CA-O 3.31Å; F152-Y160 WeakPolarHBondContact CA-O 3.5Å; T153-Y160 PolarHBondContact N-O 3.11Å; T153-Y160 WeakPolarHBondContact O-CD2 3.16Å; T153-Y160 PolarHBondContact O-N 3.03Å; K155-Y160 HydrophobicContact CB-CE2 4.16Å; I158-Y160 HydrophobicContact CB-CE2 4.07Å; I158-Y160 HydrophobicContact CG2-CD2 4.5Å; I158-Y160 HydrophobicContact CG2-CE1 4.1Å; I158-Y160 HydrophobicContact CG2-CE2 3.83Å; I158-Y160 WeakPolarHBondContact O-CE2 3.41Å; Y160-M191 HydrophobicContact CD1-CB 3.5Å; Y160-M191 VanDerWaalsContact CD1-CB 3.5Å; Y160-M191 HydrophobicContact CE1-CB 3.62Å; Y160-M191 HydrophobicContact CE1-CG 4.33Å; Y160-M191 HydrophobicContact CE1-SD 3.82Å; Y160-M191 HydrophobicContact CG-CB 4.38Å |
| 161 | L | 98.8 | Very high | 97 | Very high | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 125.8 | 168.9 | -177.5 | 65.4 | 0 | 0 | 0 | 109.8 | M131 M135 F150 F152 V189 Y190 | M131-L161 HydrophobicContact CE-CD2 4.38Å; M135-L161 HydrophobicContact CE-CD1 4.36Å; F150-L161 HydrophobicContact CB-CD1 4.23Å; F150-L161 HydrophobicContact CD1-CD1 4.07Å; F150-L161 HydrophobicContact CD1-CD2 4.41Å; F152-L161 HydrophobicContact CD1-CB 4.15Å; F152-L161 HydrophobicContact CD1-CD1 3.94Å; F152-L161 HydrophobicContact CE1-CB 3.84Å; F152-L161 HydrophobicContact CE1-CD1 3.66Å; F152-L161 HydrophobicContact CE1-CG 4.26Å; F152-L161 HydrophobicContact CZ-CD1 4.19Å; L161-V189 HydrophobicContact CB-CB 4.19Å; L161-V189 HydrophobicContact CD2-CB 3.94Å; L161-V189 HydrophobicContact CD2-CG1 4.03Å; L161-V189 HydrophobicContact CD2-CG2 4.16Å; L161-V189 HydrophobicContact CG-CB 4.04Å; L161-V189 HydrophobicContact CG-CG2 4.12Å; L161-V189 PolarHBondContact O-N 2.85Å; L161-Y190 HydrophobicContact CB-CD2 3.95Å; L161-Y190 HydrophobicContact CB-CE1 4.44Å; L161-Y190 HydrophobicContact CB-CE2 3.66Å; L161-Y190 HydrophobicContact CB-CG 4.44Å; L161-Y190 HydrophobicContact CD2-CD1 4.28Å; L161-Y190 HydrophobicContact CD2-CE1 3.52Å; L161-Y190 HydrophobicContact CD2-CE2 4.05Å; L161-Y190 WeakPolarHBondContact CD2-OH 3.48Å; L161-Y190 HydrophobicContact CG-CE2 4.49Å; L161-Y190 PolarHBondContact N-O 3.06Å |
| 162 | E | 98.1 | Very high | 96.7 | Very high | 41 Ų | 41 | 56.9 Ų | 56.9 | 19% | 0.192 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 150 | 168.4 | -61.8 | -176.9 | 145.8 | 0 | 0 | 110 | F150 R151 R187 K188 | F150-E162 WeakPolarHBondContact CA-O 3.17Å; R151-E162 PolarHBondContact N-O 3.16Å; R151-E162 PolarHBondContact O-N 3.48Å; E162-R187 CarbonylContact C-O 3.55Å; E162-R187 VanDerWaalsContact CA-O 3.3Å; E162-R187 WeakPolarHBondContact CA-O 3.47Å; E162-K188 HydrophobicContact CG-CG 4.09Å; E162-K188 WeakPolarHBondContact OE1-CG 3.17Å |
| 163 | K | 97.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 64.5 Ų | 64.5 | 0% | 0.004 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 125.9 | 175.3 | -176.7 | -179.4 | -174.7 | -116.7 | 0 | 110.2 | S128 Y129 P147 V149 F150 R165 R187 V189 | S128-K163 WeakPolarHBondContact O-CD 3.14Å; S128-K163 WeakPolarHBondContact O-CE 3.44Å; S128-K163 PolarHBondContact O-NZ 2.83Å; Y129-K163 HydrophobicContact CD1-CD 4.14Å; P147-K163 WeakPolarHBondContact O-CE 3.19Å; P147-K163 PolarHBondContact O-NZ 2.78Å; V149-K163 CarbonylContact O-C 3.56Å; V149-K163 WeakPolarHBondContact O-CA 3.41Å; F150-K163 HydrophobicContact CD1-CB 3.97Å; F150-K163 HydrophobicContact CD1-CD 4.3Å; F150-K163 HydrophobicContact CD1-CG 4.04Å; F150-K163 HydrophobicContact CE1-CB 4.05Å; F150-K163 HydrophobicContact CE1-CD 3.63Å; F150-K163 HydrophobicContact CE1-CG 3.88Å; F150-K163 HydrophobicContact CZ-CD 3.77Å; F150-K163 HydrophobicContact CZ-CG 4.27Å; K163-R165 HydrophobicContact CD-CG 4.5Å; K163-R187 PolarHBondContact N-O 2.91Å; K163-R187 PolarHBondContact O-N 2.79Å; K163-V189 HydrophobicContact CB-CG2 4.19Å |
| 164 | M | 97.6 | Very high | 95.6 | Very high | 39 Ų | 39 | 68.8 Ų | 68.8 | 19% | 0.192 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 116.1 | 165.4 | -62.7 | 76.8 | 82.1 | 0 | 0 | 108.4 | D142 V149 R151 E185 | D142-M164 WeakPolarHBondContact OD1-CE 3.39Å; V149-M164 HydrophobicContact CB-CB 4.3Å; V149-M164 HydrophobicContact CB-CE 3.76Å; V149-M164 HydrophobicContact CG1-CE 3.4Å; V149-M164 PolarHBondContact N-O 3.1Å; V149-M164 PolarHBondContact O-N 2.8Å; R151-M164 HydrophobicContact CB-CE 4.33Å; M164-E185 CarbonylContact C-O 3.57Å; M164-E185 WeakPolarHBondContact CA-O 3.44Å |
| 165 | R | 94.9 | Very high | 95.2 | Very high | 13 Ų | 13 | 67 Ų | 67 | 5% | 0.049 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -88.4 | 157 | -178.1 | -62.5 | 174.3 | 61.2 | 124.3 | -15 | 110.4 | S128 Y129 K163 Q168 E185 I290 | S128-R165 PolarHBondContact OG-NH1 3.49Å; Y129-R165 PolarHBondContact OH-NH1 2.88Å; K163-R165 HydrophobicContact CD-CG 4.5Å; R165-Q168 VanDerWaalsContact NH2-CD 3.31Å; R165-E185 PolarHBondContact N-O 3.13Å; R165-I290 PolarHBondContact NH1-O 2.74Å; R165-I290 PolarHBondContact NH2-O 3.33Å |
| 166 | R | 95 | Very high | 94.5 | Very high | 40 Ų | 40 | 64.2 Ų | 64.2 | 15% | 0.151 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -79.7 | 167.8 | 165.6 | -58.8 | -160.9 | -172.2 | 84.2 | 5.4 | 110.3 | A146 N249 D251 | A146-R166 VanDerWaalsContact O-CZ 3.27Å; A146-R166 PolarHBondContact O-NH1 3.21Å; A146-R166 PolarHBondContact O-NH2 3.29Å; R166-N249 WeakPolarHBondContact CB-O 3.48Å; R166-N249 WeakPolarHBondContact CD-OD1 3.48Å; R166-N249 VanDerWaalsContact CG-OD1 3.31Å; R166-N249 WeakPolarHBondContact CG-OD1 3.43Å; R166-D251 WeakPolarHBondContact CD-OD1 3.49Å; R166-D251 IonicContact NH1-OD1 3.06Å; R166-D251 PolarHBondContact NH1-OD1 3.29Å; R166-D251 VanDerWaalsContact NH1-OD1 3.1Å |
| 167 | K | 94.3 | Very high | 93.9 | Very high | 158 Ų | 158 | 62 Ų | 62 | 69% | 0.687 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 153.2 | 167 | -68.1 | 179.9 | -179.6 | 175.9 | 0 | 109.3 | N249 M250 D251 | K167-N249 PolarHBondContact N-O 3.28Å; K167-M250 HydrophobicContact CB-CB 4.47Å; K167-M250 HydrophobicContact CB-CG 4.05Å; K167-M250 CarbonylContact O-C 3.49Å; K167-M250 VanDerWaalsContact O-CA 3.26Å; K167-M250 WeakPolarHBondContact O-CA 3.06Å; K167-M250 WeakPolarHBondContact O-CG 3.19Å; K167-D251 PolarHBondContact O-N 2.8Å |
| 168 | Q | 94.4 | Very high | 93.4 | Very high | 41 Ų | 41 | 59.8 Ų | 59.8 | 19% | 0.192 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 133.4 | 176.9 | -64.9 | -174.4 | -57.3 | 0 | 0 | 110.2 | R165 I170 E182 D251 V253 | R165-Q168 VanDerWaalsContact NH2-CD 3.31Å; Q168-I170 HydrophobicContact CB-CD1 4.05Å; Q168-E182 PolarHBondContact OE1-O 3.03Å; Q168-D251 CarbonylContact C-O 3.54Å; Q168-D251 WeakPolarHBondContact CA-O 3.25Å; Q168-V253 HydrophobicContact CB-CG2 4.15Å; Q168-V253 HydrophobicContact CG-CG2 4.14Å |
| 169 | Y | 95.3 | Very high | 92.8 | Very high | 108 Ų | 108 | 60.1 Ų | 60.1 | 42% | 0.424 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 122.1 | 168 | 177.6 | -122.3 | 0 | 0 | 0 | 109.3 | P171 M250 D251 L252 V253 | Y169-P171 HydrophobicContact CD1-CG 4.1Å; Y169-P171 HydrophobicContact CE1-CB 4.19Å; Y169-P171 HydrophobicContact CE1-CG 3.69Å; Y169-M250 HydrophobicContact CG-CE 4.13Å; Y169-D251 PolarHBondContact N-O 2.84Å; Y169-L252 HydrophobicContact CD1-CD1 3.73Å; Y169-L252 HydrophobicContact CE1-CD1 4.24Å; Y169-V253 PolarHBondContact O-N 3.18Å |
| 170 | I | 95.9 | Very high | 92.2 | Very high | 36 Ų | 36 | 58.9 Ų | 58.9 | 19% | 0.185 | 30% | 0.3 | C | S | . | . | trans | -115 | 102.3 | 178.6 | -54.5 | 94 | 0 | 0 | 0 | 107.4 | Q168 N172 F175 L181 V253 F255 | Q168-I170 HydrophobicContact CB-CD1 4.05Å; I170-N172 VanDerWaalsContact C-N 3.31Å; I170-N172 WeakPolarHBondContact CG2-O 3.43Å; I170-N172 PolarHBondContact O-N 3.21Å; I170-F175 HydrophobicContact CG2-CB 4.26Å; I170-L181 HydrophobicContact CD1-CD1 4.05Å; I170-L181 HydrophobicContact CG1-CD1 4.06Å; I170-L181 HydrophobicContact CG1-CD2 4.32Å; I170-V253 HydrophobicContact CG1-CB 4.32Å; I170-F255 HydrophobicContact CG2-CD2 4.06Å; I170-F255 HydrophobicContact CG2-CE2 4.1Å | ||
| 171 | P | 93.6 | Very high | 91.7 | Very high | 58 Ų | 58 | 57 Ų | 57 | 38% | 0.377 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -63.3 | -39.2 | -177.9 | -18.8 | 28.5 | 0 | 0 | 0 | 112.1 | Y169 Q173 L252 V253 | Y169-P171 HydrophobicContact CD1-CG 4.1Å; Y169-P171 HydrophobicContact CE1-CB 4.19Å; Y169-P171 HydrophobicContact CE1-CG 3.69Å; P171-Q173 PolarHBondContact O-N 3.37Å; P171-L252 HydrophobicContact CG-CD1 3.43Å; P171-L252 VanDerWaalsContact CG-CD1 3.43Å; P171-V253 WeakPolarHBondContact CD-O 3.44Å |
| 172 | N | 90.7 | Very high | 91.2 | Very high | 61 Ų | 61 | 57.7 Ų | 57.7 | 33% | 0.326 | 30% | 0.297 | S | S | . | . | trans | -85.2 | 101.8 | 179.4 | -171.8 | -15.6 | 0 | 0 | 0 | 110.9 | I170 N174 F175 | I170-N172 VanDerWaalsContact C-N 3.31Å; I170-N172 WeakPolarHBondContact CG2-O 3.43Å; I170-N172 PolarHBondContact O-N 3.21Å; N172-N174 PolarHBondContact O-N 3.49Å; N172-N174 VanDerWaalsContact O-N 3.1Å; N172-N174 WeakPolarHBondContact OD1-CB 3.43Å; N172-N174 PolarHBondContact OD1-N 2.96Å; N172-N174 VanDerWaalsContact OD1-N 3.14Å; N172-F175 HydrophobicContact CB-CD2 4.13Å; N172-F175 PolarHBondContact O-N 3.05Å; N172-F175 VanDerWaalsContact O-N 3.07Å | ||
| 173 | Q | 88.1 | Confident | 90.6 | Very high | 159 Ų | 159 | 63.9 Ų | 63.9 | 74% | 0.743 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -62.7 | -20.3 | -175.9 | -64 | -165.7 | 5.7 | 0 | 0 | 114.2 | P171 F175 S176 | P171-Q173 PolarHBondContact O-N 3.37Å; Q173-F175 PolarHBondContact O-N 3.15Å; Q173-F175 VanDerWaalsContact O-N 3.13Å; Q173-S176 VanDerWaalsContact O-CB 3.31Å; Q173-S176 WeakPolarHBondContact O-CB 3.05Å; Q173-S176 PolarHBondContact O-N 3.36Å; Q173-S176 VanDerWaalsContact O-N 3.08Å; Q173-S176 PolarHBondContact O-OG 3.28Å |
| 174 | N | 88.2 | Confident | 90.2 | Very high | 138 Ų | 138 | 69 Ų | 69 | 74% | 0.738 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -61.2 | -22.2 | 175.4 | -65.7 | -15.8 | 0 | 0 | 0 | 112.4 | N172 | N172-N174 PolarHBondContact O-N 3.49Å; N172-N174 VanDerWaalsContact O-N 3.1Å; N172-N174 WeakPolarHBondContact OD1-CB 3.43Å; N172-N174 PolarHBondContact OD1-N 2.96Å; N172-N174 VanDerWaalsContact OD1-N 3.14Å |
| 175 | F | 88.4 | Confident | 89.8 | Confident | 34 Ų | 34 | 74.2 Ų | 74.2 | 15% | 0.149 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -102.7 | 2.7 | 179 | -66.8 | -84.9 | 0 | 0 | 0 | 113.9 | I170 N172 Q173 S177 S178 L181 T238 F255 | I170-F175 HydrophobicContact CG2-CB 4.26Å; N172-F175 HydrophobicContact CB-CD2 4.13Å; N172-F175 PolarHBondContact O-N 3.05Å; N172-F175 VanDerWaalsContact O-N 3.07Å; Q173-F175 PolarHBondContact O-N 3.15Å; Q173-F175 VanDerWaalsContact O-N 3.13Å; F175-S177 PolarHBondContact O-N 3.18Å; F175-S177 VanDerWaalsContact O-N 3.07Å; F175-S178 WeakPolarHBondContact O-CB 3.44Å; F175-S178 PolarHBondContact O-N 3.37Å; F175-L181 WeakPolarHBondContact O-CD1 3.26Å; F175-T238 HydrophobicContact CE1-CG2 4.31Å; F175-F255 HydrophobicContact CB-CB 4.04Å; F175-F255 HydrophobicContact CB-CD1 4.12Å; F175-F255 HydrophobicContact CB-CD2 3.6Å; F175-F255 HydrophobicContact CB-CE2 4.01Å; F175-F255 HydrophobicContact CB-CG 3.66Å; F175-F255 HydrophobicContact CB-CZ 4.46Å; F175-F255 HydrophobicContact CD1-CB 3.7Å; F175-F255 AromaticContact CD1-CD1 3.5Å; F175-F255 HydrophobicContact CD1-CD1 3.5Å; F175-F255 VanDerWaalsContact CD1-CD1 3.5Å; F175-F255 HydrophobicContact CD1-CD2 4.44Å; F175-F255 HydrophobicContact CD1-CE1 4.23Å; F175-F255 AromaticContact CD1-CG 3.65Å; F175-F255 HydrophobicContact CD1-CG 3.65Å; F175-F255 HydrophobicContact CD2-CB 3.36Å; F175-F255 HydrophobicContact CD2-CD2 4.49Å; F175-F255 AromaticContact CD2-CG 3.98Å; F175-F255 HydrophobicContact CD2-CG 3.98Å; F175-F255 HydrophobicContact CE1-CB 3.9Å; F175-F255 HydrophobicContact CE1-CD1 4.01Å; F175-F255 HydrophobicContact CE1-CG 4.24Å; F175-F255 HydrophobicContact CE2-CB 3.57Å; F175-F255 HydrophobicContact CG-CB 3.41Å; F175-F255 VanDerWaalsContact CG-CB 3.41Å; F175-F255 AromaticContact CG-CD1 3.85Å; F175-F255 HydrophobicContact CG-CD1 3.85Å; F175-F255 AromaticContact CG-CD2 3.96Å; F175-F255 HydrophobicContact CG-CD2 3.96Å; F175-F255 AromaticContact CG-CG 3.48Å; F175-F255 HydrophobicContact CG-CG 3.48Å; F175-F255 VanDerWaalsContact CG-CG 3.48Å; F175-F255 HydrophobicContact CZ-CB 3.83Å |
| 176 | S | 84.4 | Confident | 89.7 | Confident | 71 Ų | 71 | 76.5 Ų | 76.5 | 50% | 0.497 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -23.4 | -179.4 | 61.1 | 0 | 0 | 0 | 0 | 114 | Q173 | Q173-S176 VanDerWaalsContact O-CB 3.31Å; Q173-S176 WeakPolarHBondContact O-CB 3.05Å; Q173-S176 PolarHBondContact O-N 3.36Å; Q173-S176 VanDerWaalsContact O-N 3.08Å; Q173-S176 PolarHBondContact O-OG 3.28Å |
| 177 | S | 84.4 | Confident | 89.7 | Confident | 96 Ų | 96 | 75.2 Ų | 75.2 | 67% | 0.671 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | 11.4 | 178 | 61.6 | 0 | 0 | 0 | 0 | 114 | F175 | F175-S177 PolarHBondContact O-N 3.18Å; F175-S177 VanDerWaalsContact O-N 3.07Å |
| 178 | S | 86.4 | Confident | 89.9 | Confident | 22 Ų | 22 | 71.6 Ų | 71.6 | 15% | 0.154 | 37% | 0.366 | C | S | . | . | trans | -54.1 | 139.7 | 179.5 | -179.6 | 0 | 0 | 0 | 0 | 112.1 | F175 L180 L181 | F175-S178 WeakPolarHBondContact O-CB 3.44Å; F175-S178 PolarHBondContact O-N 3.37Å; S178-L180 PolarHBondContact O-N 2.75Å; S178-L180 PolarHBondContact OG-N 3.19Å; S178-L181 PolarHBondContact O-N 2.81Å | ||
| 179 | D | 84.5 | Confident | 90 | Very high | 62 Ų | 62 | 69.8 Ų | 69.8 | 33% | 0.332 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -14.8 | 175 | 67 | -40.5 | 0 | 0 | 0 | 112.6 | L181 K220 | D179-L181 VanDerWaalsContact C-N 3.32Å; D179-K220 IonicContact OD2-NZ 2.69Å; D179-K220 PolarHBondContact OD2-NZ 3.03Å |
| 180 | L | 87.1 | Confident | 90.2 | Very high | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -15.3 | 174.6 | -58 | 179.7 | 0 | 0 | 0 | 112.8 | S178 I235 T238 T240 F255 Y288 T289 I290 | S178-L180 PolarHBondContact O-N 2.75Å; S178-L180 PolarHBondContact OG-N 3.19Å; L180-I235 HydrophobicContact CD1-CD1 4.02Å; L180-I235 HydrophobicContact CD2-CD1 3.7Å; L180-I235 HydrophobicContact CD2-CG2 4.35Å; L180-I235 HydrophobicContact CG-CD1 4.46Å; L180-T238 HydrophobicContact CD1-CG2 4.12Å; L180-T240 HydrophobicContact CD1-CG2 4.44Å; L180-F255 HydrophobicContact CB-CE1 4.44Å; L180-F255 HydrophobicContact CD1-CE1 4.28Å; L180-Y288 VanDerWaalsContact CD2-O 3.29Å; L180-Y288 WeakPolarHBondContact CD2-O 3.46Å; L180-T289 CarbonylContact O-C 3.48Å; L180-T289 WeakPolarHBondContact O-CA 3.36Å; L180-T289 WeakPolarHBondContact O-CB 3.4Å; L180-I290 HydrophobicContact CB-CG1 4.34Å; L180-I290 HydrophobicContact CB-CG2 4.47Å; L180-I290 WeakPolarHBondContact O-CG1 3.33Å; L180-I290 PolarHBondContact O-N 3.44Å |
| 181 | L | 88.5 | Confident | 90.3 | Very high | 16 Ų | 16 | 65 Ų | 65 | 8% | 0.084 | 34% | 0.338 | C | S | . | . | trans | -86.8 | 123.4 | -178.6 | -67.1 | 174.4 | 0 | 0 | 0 | 111.9 | I170 F175 S178 D179 V253 F255 | I170-L181 HydrophobicContact CD1-CD1 4.05Å; I170-L181 HydrophobicContact CG1-CD1 4.06Å; I170-L181 HydrophobicContact CG1-CD2 4.32Å; F175-L181 WeakPolarHBondContact O-CD1 3.26Å; S178-L181 PolarHBondContact O-N 2.81Å; D179-L181 VanDerWaalsContact C-N 3.32Å; L181-V253 HydrophobicContact CD2-CG1 4.42Å; L181-F255 HydrophobicContact CD2-CE2 4Å; L181-F255 HydrophobicContact CD2-CZ 3.74Å; L181-F255 HydrophobicContact CG-CE2 4.49Å; L181-F255 HydrophobicContact CG-CZ 4.06Å | ||
| 182 | E | 89 | Confident | 90.5 | Very high | 17 Ų | 17 | 62.2 Ų | 62.2 | 8% | 0.079 | 32% | 0.32 | C | S | . | . | trans | -85.4 | 129.7 | 168 | 170.8 | 63.5 | -95.3 | 0 | 0 | 110.4 | Q168 K184 R187 T289 | Q168-E182 PolarHBondContact OE1-O 3.03Å; E182-K184 WeakPolarHBondContact OE1-CB 3.35Å; E182-K184 PolarHBondContact OE1-N 2.8Å; E182-R187 WeakPolarHBondContact OE2-CD 3.43Å; E182-R187 IonicContact OE2-CZ 2.66Å; E182-R187 IonicContact OE2-NE 3.33Å; E182-R187 PolarHBondContact OE2-NE 2.68Å; E182-R187 VanDerWaalsContact OE2-NE 3.1Å; E182-R187 IonicContact OE2-NH1 3.92Å; E182-T289 HydrophobicContact CB-CG2 4.1Å | ||
| 183 | K | 85.2 | Confident | 90.9 | Very high | 170 Ų | 170 | 60.4 Ų | 60.4 | 74% | 0.739 | 31% | 0.313 | S | S | * | . | trans | -101.5 | -18 | -172.7 | -61 | -179.2 | -178.2 | 179.2 | 0 | 112.7 | ||||
| 184 | K | 88.2 | Confident | 91.4 | Very high | 109 Ų | 109 | 56 Ų | 56 | 47% | 0.474 | 29% | 0.294 | S | S | . | . | trans | -78 | 130.8 | 178.3 | -65.2 | -172 | 178.2 | -174.7 | 0 | 110.2 | E182 | E182-K184 WeakPolarHBondContact OE1-CB 3.35Å; E182-K184 PolarHBondContact OE1-N 2.8Å | ||
| 185 | E | 89.2 | Confident | 91.9 | Very high | 149 Ų | 149 | 54.4 Ų | 54.4 | 70% | 0.696 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -64.7 | -46.3 | 175 | -173.4 | 175.2 | -175.5 | 0 | 0 | 111.3 | M164 R165 | M164-E185 CarbonylContact C-O 3.57Å; M164-E185 WeakPolarHBondContact CA-O 3.44Å; R165-E185 PolarHBondContact N-O 3.13Å |
| 186 | C | 93.9 | Very high | 92.3 | Very high | 60 Ų | 60 | 56.8 Ų | 56.8 | 41% | 0.405 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 124.3 | 172.1 | -174.6 | 0 | 0 | 0 | 0 | 111 | ||
| 187 | R | 94.4 | Very high | 93 | Very high | 14 Ų | 14 | 55.6 Ų | 55.6 | 5% | 0.053 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 121.5 | -176.2 | -179.5 | 64 | 172.3 | 133.9 | 22.7 | 110.9 | F94 P96 Y129 E162 K163 E182 | F94-R187 VanDerWaalsContact CE1-NH1 3.33Å; F94-R187 PolarHBondContact O-NH2 3.12Å; F94-R187 VanDerWaalsContact O-NH2 3.09Å; P96-R187 VanDerWaalsContact CD-NH2 3.28Å; Y129-R187 HydrophobicContact CD1-CG 4.32Å; Y129-R187 HydrophobicContact CE1-CB 4.23Å; Y129-R187 HydrophobicContact CE1-CG 3.56Å; E162-R187 CarbonylContact C-O 3.55Å; E162-R187 VanDerWaalsContact CA-O 3.3Å; E162-R187 WeakPolarHBondContact CA-O 3.47Å; K163-R187 PolarHBondContact N-O 2.91Å; K163-R187 PolarHBondContact O-N 2.79Å; E182-R187 WeakPolarHBondContact OE2-CD 3.43Å; E182-R187 IonicContact OE2-CZ 2.66Å; E182-R187 IonicContact OE2-NE 3.33Å; E182-R187 PolarHBondContact OE2-NE 2.68Å; E182-R187 VanDerWaalsContact OE2-NE 3.1Å; E182-R187 IonicContact OE2-NH1 3.92Å |
| 188 | K | 97.3 | Very high | 93.6 | Very high | 82 Ų | 82 | 54.7 Ų | 54.7 | 36% | 0.357 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 131.6 | 163.5 | -68.2 | 172.9 | -178.3 | -178.3 | 0 | 109.5 | F94 E162 | F94-K188 HydrophobicContact CB-CB 4.01Å; F94-K188 HydrophobicContact CD1-CB 3.52Å; F94-K188 WeakPolarHBondContact CD1-O 3.39Å; F94-K188 HydrophobicContact CD2-CB 3.99Å; F94-K188 HydrophobicContact CD2-CD 4.11Å; F94-K188 HydrophobicContact CE1-CB 3.93Å; F94-K188 HydrophobicContact CE1-CD 4.3Å; F94-K188 HydrophobicContact CE2-CB 4.36Å; F94-K188 HydrophobicContact CE2-CD 3.8Å; F94-K188 HydrophobicContact CG-CB 3.55Å; F94-K188 HydrophobicContact CG-CD 4.48Å; F94-K188 HydrophobicContact CZ-CB 4.33Å; F94-K188 HydrophobicContact CZ-CD 3.91Å; E162-K188 HydrophobicContact CG-CG 4.09Å; E162-K188 WeakPolarHBondContact OE1-CG 3.17Å |
| 189 | V | 97.6 | Very high | 94.2 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.012 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | -63.5 | -174.7 | -171.1 | 0 | 0 | 0 | 0 | 110.3 | F94 F125 Y129 L161 K163 | F94-V189 WeakPolarHBondContact CB-O 3.39Å; F94-V189 PolarHBondContact N-O 3.5Å; F125-V189 HydrophobicContact CD1-CG1 4.41Å; F125-V189 HydrophobicContact CD2-CG1 3.99Å; F125-V189 HydrophobicContact CE1-CG1 3.94Å; F125-V189 HydrophobicContact CE2-CG1 3.5Å; F125-V189 HydrophobicContact CG-CG1 4.42Å; F125-V189 HydrophobicContact CZ-CG1 3.45Å; F125-V189 VanDerWaalsContact CZ-CG1 3.45Å; Y129-V189 HydrophobicContact CD1-CG2 4.4Å; L161-V189 HydrophobicContact CB-CB 4.19Å; L161-V189 HydrophobicContact CD2-CB 3.94Å; L161-V189 HydrophobicContact CD2-CG1 4.03Å; L161-V189 HydrophobicContact CD2-CG2 4.16Å; L161-V189 HydrophobicContact CG-CB 4.04Å; L161-V189 HydrophobicContact CG-CG2 4.12Å; L161-V189 PolarHBondContact O-N 2.85Å; K163-V189 HydrophobicContact CB-CG2 4.19Å |
| 190 | Y | 98.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 0% | 0.004 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 165.8 | 177.6 | 54.6 | -113.5 | 0 | 0 | 0 | 111.5 | A91 Y92 H107 L109 F125 L161 F192 | A91-Y190 HydrophobicContact CB-CD2 4.04Å; A91-Y190 HydrophobicContact CB-CG 4.18Å; Y92-Y190 CarbonylContact O-C 3.49Å; Y92-Y190 VanDerWaalsContact O-CA 3.22Å; Y92-Y190 WeakPolarHBondContact O-CA 3.35Å; Y92-Y190 WeakPolarHBondContact O-CB 3.05Å; H107-Y190 AromaticContact CD2-CD1 3.87Å; L109-Y190 HydrophobicContact CD1-CD2 4.16Å; L109-Y190 HydrophobicContact CD1-CE2 3.58Å; L109-Y190 HydrophobicContact CD2-CE1 3.97Å; L109-Y190 HydrophobicContact CD2-CE2 4.21Å; F125-Y190 AromaticContact CD2-CD1 3.82Å; F125-Y190 HydrophobicContact CD2-CD1 3.82Å; F125-Y190 HydrophobicContact CD2-CE1 4.08Å; F125-Y190 AromaticContact CE2-CD1 3.81Å; F125-Y190 HydrophobicContact CE2-CD1 3.81Å; F125-Y190 HydrophobicContact CE2-CE1 4.49Å; L161-Y190 HydrophobicContact CB-CD2 3.95Å; L161-Y190 HydrophobicContact CB-CE1 4.44Å; L161-Y190 HydrophobicContact CB-CE2 3.66Å; L161-Y190 HydrophobicContact CB-CG 4.44Å; L161-Y190 HydrophobicContact CD2-CD1 4.28Å; L161-Y190 HydrophobicContact CD2-CE1 3.52Å; L161-Y190 HydrophobicContact CD2-CE2 4.05Å; L161-Y190 WeakPolarHBondContact CD2-OH 3.48Å; L161-Y190 HydrophobicContact CG-CE2 4.49Å; L161-Y190 PolarHBondContact N-O 3.06Å; Y190-F192 AromaticContact CD2-CD1 3.8Å; Y190-F192 HydrophobicContact CD2-CD1 3.8Å; Y190-F192 HydrophobicContact CD2-CE1 4.27Å; Y190-F192 AromaticContact CE2-CD1 3.71Å; Y190-F192 HydrophobicContact CE2-CD1 3.71Å; Y190-F192 AromaticContact CE2-CE1 3.78Å; Y190-F192 HydrophobicContact CE2-CE1 3.78Å |
| 191 | M | 98.6 | Very high | 95.3 | Very high | 42 Ų | 42 | 60.3 Ų | 60.3 | 21% | 0.207 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 151.7 | 169 | 70.5 | -179.9 | -176.9 | 0 | 0 | 111.5 | A91 Y92 Y101 I158 W159 Y160 | A91-M191 CarbonylContact C-O 3.51Å; A91-M191 VanDerWaalsContact CA-O 3.23Å; A91-M191 WeakPolarHBondContact CA-O 3.44Å; A91-M191 WeakPolarHBondContact CB-O 3.36Å; Y92-M191 HydrophobicContact CD2-CE 4.28Å; Y92-M191 HydrophobicContact CD2-CG 4.37Å; Y92-M191 HydrophobicContact CG-CE 4.08Å; Y92-M191 PolarHBondContact N-O 2.99Å; Y92-M191 PolarHBondContact O-N 3.08Å; Y101-M191 VanDerWaalsContact CB-CE 3.42Å; Y101-M191 HydrophobicContact CD1-CB 4Å; Y101-M191 HydrophobicContact CD1-CG 3.69Å; Y101-M191 HydrophobicContact CD1-SD 4.07Å; Y101-M191 HydrophobicContact CD2-CE 4.16Å; Y101-M191 HydrophobicContact CD2-CG 4.2Å; Y101-M191 HydrophobicContact CD2-SD 3.47Å; Y101-M191 WeakPolarHBondContact CD2-SD 2.95Å; Y101-M191 HydrophobicContact CE1-CB 3.87Å; Y101-M191 HydrophobicContact CE1-CG 4.1Å; Y101-M191 HydrophobicContact CE2-SD 4.01Å; Y101-M191 HydrophobicContact CG-CB 4.4Å; Y101-M191 HydrophobicContact CG-CE 3.86Å; Y101-M191 HydrophobicContact CG-CG 3.75Å; Y101-M191 HydrophobicContact CG-SD 3.51Å; Y101-M191 VanDerWaalsContact CG-SD 3.51Å; I158-M191 HydrophobicContact CG2-CB 4.1Å; I158-M191 HydrophobicContact CG2-SD 4.49Å; W159-M191 CarbonylContact O-C 3.55Å; W159-M191 WeakPolarHBondContact O-CA 3.41Å; Y160-M191 HydrophobicContact CD1-CB 3.5Å; Y160-M191 VanDerWaalsContact CD1-CB 3.5Å; Y160-M191 HydrophobicContact CE1-CB 3.62Å; Y160-M191 HydrophobicContact CE1-CG 4.33Å; Y160-M191 HydrophobicContact CE1-SD 3.82Å; Y160-M191 HydrophobicContact CG-CB 4.38Å |
| 192 | F | 98.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 59.5 Ų | 59.5 | 0% | 0.004 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 158.4 | -177.9 | 63.7 | -76.8 | 0 | 0 | 0 | 112.5 | L89 G90 A91 L109 I120 L137 F152 W159 Y190 L194 | L89-F192 HydrophobicContact CD1-CD2 3.82Å; L89-F192 HydrophobicContact CD1-CE2 3.89Å; G90-F192 VanDerWaalsContact O-CB 3.32Å; G90-F192 WeakPolarHBondContact O-CB 3.46Å; A91-F192 HydrophobicContact CB-CB 3.85Å; L109-F192 HydrophobicContact CD1-CB 4.28Å; L109-F192 HydrophobicContact CD1-CD1 4.03Å; L109-F192 HydrophobicContact CD1-CD2 4.34Å; L109-F192 HydrophobicContact CD1-CE1 4.46Å; L109-F192 HydrophobicContact CD1-CG 3.96Å; I120-F192 HydrophobicContact CD1-CE2 3.86Å; I120-F192 HydrophobicContact CD1-CZ 4.08Å; I120-F192 HydrophobicContact CG1-CE2 4.27Å; I120-F192 HydrophobicContact CG1-CZ 3.95Å; L137-F192 HydrophobicContact CD2-CE2 4.21Å; L137-F192 HydrophobicContact CD2-CZ 3.87Å; F152-F192 HydrophobicContact CD1-CE1 4.12Å; F152-F192 HydrophobicContact CD1-CZ 4.31Å; F152-F192 AromaticContact CE1-CE1 3.64Å; F152-F192 HydrophobicContact CE1-CE1 3.64Å; F152-F192 AromaticContact CE1-CZ 3.84Å; F152-F192 HydrophobicContact CE1-CZ 3.84Å; F152-F192 HydrophobicContact CZ-CE1 4.4Å; F152-F192 HydrophobicContact CZ-CZ 4.24Å; W159-F192 HydrophobicContact CB-CD1 3.91Å; W159-F192 HydrophobicContact CB-CD2 4.17Å; W159-F192 HydrophobicContact CB-CE1 3.45Å; W159-F192 VanDerWaalsContact CB-CE1 3.45Å; W159-F192 HydrophobicContact CB-CE2 3.76Å; W159-F192 HydrophobicContact CB-CG 4.25Å; W159-F192 HydrophobicContact CB-CZ 3.38Å; W159-F192 HydrophobicContact CG-CE2 4.11Å; W159-F192 AromaticContact CG-CZ 3.99Å; W159-F192 HydrophobicContact CG-CZ 3.99Å; W159-F192 PolarHBondContact N-O 3.42Å; W159-F192 PolarHBondContact O-N 2.73Å; Y190-F192 AromaticContact CD2-CD1 3.8Å; Y190-F192 HydrophobicContact CD2-CD1 3.8Å; Y190-F192 HydrophobicContact CD2-CE1 4.27Å; Y190-F192 AromaticContact CE2-CD1 3.71Å; Y190-F192 HydrophobicContact CE2-CD1 3.71Å; Y190-F192 AromaticContact CE2-CE1 3.78Å; Y190-F192 HydrophobicContact CE2-CE1 3.78Å; F192-L194 HydrophobicContact CD2-CD2 4.4Å; F192-L194 HydrophobicContact CE2-CD2 3.9Å |
| 193 | S | 98.4 | Very high | 96.1 | Very high | 23 Ų | 23 | 64.7 Ų | 64.7 | 16% | 0.161 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 162.5 | 166.9 | 57.9 | 0 | 0 | 0 | 0 | 110.4 | E195 | S193-E195 PolarHBondContact O-N 3.29Å |
| 194 | L | 98.4 | Very high | 96.7 | Very high | 66 Ų | 66 | 62.6 Ų | 62.6 | 35% | 0.346 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -82.6 | 7.4 | 174 | -59.4 | -176.1 | 0 | 0 | 0 | 114.3 | L89 L137 F192 P196 | L89-L194 HydrophobicContact CD1-CD2 4.07Å; L137-L194 HydrophobicContact CD1-CD2 3.8Å; F192-L194 HydrophobicContact CD2-CD2 4.4Å; F192-L194 HydrophobicContact CE2-CD2 3.9Å; L194-P196 WeakPolarHBondContact O-CD 3.49Å |
| 195 | E | 98.2 | Very high | 97.1 | Very high | 104 Ų | 104 | 58.5 Ų | 58.5 | 49% | 0.486 | 29% | 0.288 | S | S | . | . | trans | -62.1 | 120.2 | 175 | -166.7 | -176.1 | 158.9 | 0 | 0 | 110.6 | L89 S193 R197 | L89-E195 WeakPolarHBondContact CD2-O 3.44Å; S193-E195 PolarHBondContact O-N 3.29Å; E195-R197 VanDerWaalsContact CD-CZ 3.41Å; E195-R197 IonicContact OE1-CZ 2.99Å; E195-R197 IonicContact OE1-NH1 2.7Å; E195-R197 PolarHBondContact OE1-NH1 3.03Å; E195-R197 IonicContact OE1-NH2 3.37Å; E195-R197 IonicContact OE2-CZ 3.51Å; E195-R197 IonicContact OE2-NH1 2.75Å; E195-R197 PolarHBondContact OE2-NH1 3.3Å; E195-R197 IonicContact OE2-NH2 3.62Å; E195-R197 PolarHBondContact OE2-NH2 3.1Å | ||
| 196 | P | 98.2 | Very high | 97.5 | Very high | 85 Ų | 85 | 51.6 Ų | 51.6 | 55% | 0.552 | 26% | 0.257 | S | S | * | . | trans | -60.4 | 141.9 | 176.7 | -23.1 | 34.3 | 0 | 0 | 0 | 111.9 | F88 L194 | F88-P196 CarbonylContact O-C 3.51Å; F88-P196 WeakPolarHBondContact O-CA 3.47Å; L194-P196 WeakPolarHBondContact O-CD 3.49Å | ||
| 197 | R | 98.3 | Very high | 97.6 | Very high | 45 Ų | 45 | 52.3 Ų | 52.3 | 17% | 0.17 | 26% | 0.259 | C | S | . | . | B | Isolated β-bridge | trans | -119.7 | 161.6 | 177.9 | -60.4 | -59.7 | -177.2 | -155.4 | -11.4 | 112.1 | F88 M105 E195 D201 F202 | F88-R197 HydrophobicContact CB-CB 4.46Å; F88-R197 PolarHBondContact O-N 3.12Å; M105-R197 HydrophobicContact CE-CG 4.2Å; M105-R197 HydrophobicContact SD-CG 4.32Å; M105-R197 PolarHBondContact SD-NE 3.31Å; E195-R197 VanDerWaalsContact CD-CZ 3.41Å; E195-R197 IonicContact OE1-CZ 2.99Å; E195-R197 IonicContact OE1-NH1 2.7Å; E195-R197 PolarHBondContact OE1-NH1 3.03Å; E195-R197 IonicContact OE1-NH2 3.37Å; E195-R197 IonicContact OE2-CZ 3.51Å; E195-R197 IonicContact OE2-NH1 2.75Å; E195-R197 PolarHBondContact OE2-NH1 3.3Å; E195-R197 IonicContact OE2-NH2 3.62Å; E195-R197 PolarHBondContact OE2-NH2 3.1Å; R197-D201 WeakPolarHBondContact CA-OD2 3.12Å; R197-F202 HydrophobicContact CB-CE2 3.86Å; R197-F202 HydrophobicContact CB-CZ 4.49Å; R197-F202 HydrophobicContact CG-CE2 4.36Å |
| 198 | T | 97.9 | Very high | 97.8 | Very high | 77 Ų | 77 | 55.2 Ų | 55.2 | 47% | 0.472 | 27% | 0.271 | S | S | . | . | trans | -120.2 | 168.2 | 169.5 | 70.7 | 0 | 0 | 0 | 0 | 109.5 | E200 D201 F202 | T198-E200 PolarHBondContact O-N 3Å; T198-E200 PolarHBondContact OG1-N 3.07Å; T198-D201 PolarHBondContact N-OD2 2.91Å; T198-D201 WeakPolarHBondContact O-CB 3.43Å; T198-D201 PolarHBondContact O-N 2.8Å; T198-D201 PolarHBondContact OG1-OD2 2.69Å; T198-F202 WeakPolarHBondContact O-CD2 3.41Å | ||
| 199 | M | 97.4 | Very high | 97.8 | Very high | 30 Ų | 30 | 51.9 Ų | 51.9 | 15% | 0.148 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -67 | -21.2 | 177.5 | -64.4 | -62.7 | 99.2 | 0 | 0 | 112.8 | L50 Q73 F88 L108 D201 F202 | L50-M199 WeakPolarHBondContact CD1-O 3.3Å; Q73-M199 HydrophobicContact CB-SD 3.96Å; Q73-M199 HydrophobicContact CG-CG 4.08Å; Q73-M199 HydrophobicContact CG-SD 3.66Å; Q73-M199 PolarHBondContact OE1-SD 3.45Å; F88-M199 HydrophobicContact CB-CE 4.4Å; F88-M199 HydrophobicContact CD1-CE 4.35Å; F88-M199 HydrophobicContact CD2-CE 3.73Å; F88-M199 HydrophobicContact CE2-CE 4.02Å; F88-M199 HydrophobicContact CG-CE 3.91Å; F88-M199 HydrophobicContact CZ-CE 4.46Å; L108-M199 HydrophobicContact CD1-CE 3.55Å; L108-M199 HydrophobicContact CD2-CE 3.58Å; L108-M199 HydrophobicContact CD2-SD 4.08Å; L108-M199 HydrophobicContact CG-CE 4.24Å; M199-D201 PolarHBondContact O-N 3.38Å; M199-F202 HydrophobicContact CE-CD2 4.25Å; M199-F202 HydrophobicContact CE-CE2 4.41Å; M199-F202 PolarHBondContact O-N 3.25Å; M199-F202 VanDerWaalsContact O-N 3.16Å |
| 200 | E | 97.4 | Very high | 97.8 | Very high | 111 Ų | 111 | 52.9 Ų | 52.9 | 52% | 0.519 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -61.1 | -38.2 | 175.1 | -164.5 | 58.3 | -140.8 | 0 | 0 | 111.2 | T198 F202 R203 | T198-E200 PolarHBondContact O-N 3Å; T198-E200 PolarHBondContact OG1-N 3.07Å; E200-F202 PolarHBondContact O-N 2.88Å; E200-R203 PolarHBondContact O-N 3.22Å; E200-R203 VanDerWaalsContact O-N 3.15Å; E200-R203 WeakPolarHBondContact OE1-CD 3.38Å; E200-R203 IonicContact OE1-NE 2.71Å; E200-R203 PolarHBondContact OE1-NE 3.47Å; E200-R203 IonicContact OE2-CZ 3.95Å; E200-R203 IonicContact OE2-NE 3.2Å; E200-R203 PolarHBondContact OE2-NE 2.91Å; E200-R203 IonicContact OE2-NH2 3.39Å; E200-R203 PolarHBondContact OE2-NH2 3.22Å |
| 201 | D | 97.8 | Very high | 97.7 | Very high | 62 Ų | 62 | 57.4 Ų | 57.4 | 33% | 0.332 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -64.1 | -12.1 | 179.2 | -56.2 | -45.9 | 0 | 0 | 0 | 113.6 | M105 R197 T198 M199 Q205 | M105-D201 HydrophobicContact CE-CB 3.98Å; R197-D201 WeakPolarHBondContact CA-OD2 3.12Å; T198-D201 PolarHBondContact N-OD2 2.91Å; T198-D201 WeakPolarHBondContact O-CB 3.43Å; T198-D201 PolarHBondContact O-N 2.8Å; T198-D201 PolarHBondContact OG1-OD2 2.69Å; M199-D201 PolarHBondContact O-N 3.38Å; D201-Q205 PolarHBondContact O-NE2 3.09Å; D201-Q205 PolarHBondContact O-OE1 2.83Å |
| 202 | F | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -112.2 | -0.9 | -178.9 | -65.3 | -88 | 0 | 0 | 0 | 113.9 | L50 M69 M105 L108 R197 T198 M199 E200 F204 Q205 C206 | L50-F202 HydrophobicContact CD1-CB 4.01Å; M69-F202 HydrophobicContact CE-CB 4.27Å; M69-F202 HydrophobicContact CE-CD1 3.85Å; M69-F202 HydrophobicContact CE-CG 4.49Å; M69-F202 HydrophobicContact SD-CB 3.99Å; M69-F202 HydrophobicContact SD-CD1 4.42Å; M105-F202 HydrophobicContact CE-CD1 4.25Å; M105-F202 HydrophobicContact CE-CD2 4.47Å; M105-F202 HydrophobicContact CE-CE1 3.82Å; M105-F202 HydrophobicContact CE-CE2 4.03Å; M105-F202 HydrophobicContact CE-CZ 3.71Å; M105-F202 HydrophobicContact CG-CE1 4.12Å; M105-F202 HydrophobicContact CG-CZ 4.47Å; M105-F202 HydrophobicContact SD-CZ 4.43Å; L108-F202 HydrophobicContact CB-CE1 4.33Å; L108-F202 HydrophobicContact CB-CZ 4.23Å; L108-F202 HydrophobicContact CD1-CD2 4.35Å; L108-F202 HydrophobicContact CD1-CE2 3.59Å; L108-F202 HydrophobicContact CD1-CZ 3.69Å; R197-F202 HydrophobicContact CB-CE2 3.86Å; R197-F202 HydrophobicContact CB-CZ 4.49Å; R197-F202 HydrophobicContact CG-CE2 4.36Å; T198-F202 WeakPolarHBondContact O-CD2 3.41Å; M199-F202 HydrophobicContact CE-CD2 4.25Å; M199-F202 HydrophobicContact CE-CE2 4.41Å; M199-F202 PolarHBondContact O-N 3.25Å; M199-F202 VanDerWaalsContact O-N 3.16Å; E200-F202 PolarHBondContact O-N 2.88Å; F202-F204 VanDerWaalsContact C-N 3.34Å; F202-F204 PolarHBondContact O-N 3.3Å; F202-Q205 VanDerWaalsContact CA-OE1 3.3Å; F202-Q205 PolarHBondContact O-N 3.39Å; F202-C206 WeakPolarHBondContact O-CB 3.41Å; F202-C206 PolarHBondContact O-N 2.67Å |
| 203 | R | 96.4 | Very high | 97.3 | Very high | 125 Ų | 125 | 60.6 Ų | 60.6 | 47% | 0.472 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58 | -45.3 | -177.4 | -79.1 | -160.3 | -169 | -103.1 | -8.4 | 112.8 | L50 E51 E200 T207 | L50-R203 HydrophobicContact CD1-CG 4.46Å; E51-R203 IonicContact OE1-NH1 2.9Å; E200-R203 PolarHBondContact O-N 3.22Å; E200-R203 VanDerWaalsContact O-N 3.15Å; E200-R203 WeakPolarHBondContact OE1-CD 3.38Å; E200-R203 IonicContact OE1-NE 2.71Å; E200-R203 PolarHBondContact OE1-NE 3.47Å; E200-R203 IonicContact OE2-CZ 3.95Å; E200-R203 IonicContact OE2-NE 3.2Å; E200-R203 PolarHBondContact OE2-NE 2.91Å; E200-R203 IonicContact OE2-NH2 3.39Å; E200-R203 PolarHBondContact OE2-NH2 3.22Å; R203-T207 PolarHBondContact O-N 2.9Å; R203-T207 VanDerWaalsContact O-N 3.14Å; R203-T207 PolarHBondContact O-OG1 3.11Å; R203-T207 VanDerWaalsContact O-OG1 3.04Å |
| 204 | F | 97.2 | Very high | 96.9 | Very high | 126 Ų | 126 | 65.1 Ų | 65.1 | 55% | 0.553 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -63.9 | -47.1 | 178.9 | 171.6 | -98.6 | 0 | 0 | 0 | 110.9 | L104 F202 T207 Y208 | L104-F204 HydrophobicContact CD1-CE1 3.94Å; L104-F204 HydrophobicContact CD2-CE1 4.05Å; F202-F204 VanDerWaalsContact C-N 3.34Å; F202-F204 PolarHBondContact O-N 3.3Å; F204-T207 WeakPolarHBondContact O-CB 3.27Å; F204-T207 PolarHBondContact O-N 2.95Å; F204-T207 VanDerWaalsContact O-N 3.17Å; F204-Y208 WeakPolarHBondContact O-CB 3.3Å; F204-Y208 PolarHBondContact O-N 3.49Å |
| 205 | Q | 96.8 | Very high | 96.6 | Very high | 23 Ų | 23 | 62.2 Ų | 62.2 | 11% | 0.107 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.5 | -41 | -177.2 | -62.3 | 87.4 | -29.4 | 0 | 0 | 110.6 | M69 L104 M105 D201 F202 T207 Y208 L209 | M69-Q205 HydrophobicContact CE-CB 3.93Å; L104-Q205 HydrophobicContact CB-CG 4.49Å; M105-Q205 WeakPolarHBondContact O-CG 3.42Å; D201-Q205 PolarHBondContact O-NE2 3.09Å; D201-Q205 PolarHBondContact O-OE1 2.83Å; F202-Q205 VanDerWaalsContact CA-OE1 3.3Å; F202-Q205 PolarHBondContact O-N 3.39Å; Q205-T207 VanDerWaalsContact C-N 3.31Å; Q205-T207 PolarHBondContact O-N 3.23Å; Q205-Y208 PolarHBondContact O-N 3.38Å; Q205-L209 WeakPolarHBondContact O-CB 3.48Å; Q205-L209 WeakPolarHBondContact O-CG 3.5Å; Q205-L209 PolarHBondContact O-N 2.92Å |
| 206 | C | 97.4 | Very high | 96.4 | Very high | 5 Ų | 5 | 59.6 Ų | 59.6 | 3% | 0.034 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.5 | -43.8 | 172.4 | 177.6 | 0 | 0 | 0 | 0 | 111.4 | L50 W67 M69 F202 Q210 | L50-C206 HydrophobicContact CD1-CB 3.91Å; L50-C206 HydrophobicContact CD2-CB 4.13Å; L50-C206 HydrophobicContact CG-CB 4.04Å; W67-C206 WeakPolarHBondContact CH2-O 3.46Å; W67-C206 HydrophobicContact CZ2-CB 4.39Å; M69-C206 HydrophobicContact SD-CB 3.74Å; F202-C206 WeakPolarHBondContact O-CB 3.41Å; F202-C206 PolarHBondContact O-N 2.67Å; C206-Q210 VanDerWaalsContact O-CG 3.31Å; C206-Q210 WeakPolarHBondContact O-CG 3.45Å; C206-Q210 PolarHBondContact O-N 2.95Å; C206-Q210 PolarHBondContact O-NE2 2.91Å |
| 207 | T | 97.7 | Very high | 96.3 | Very high | 74 Ų | 74 | 56.6 Ų | 56.6 | 45% | 0.454 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.8 | -52.7 | 175.9 | -56 | 0 | 0 | 0 | 0 | 110.8 | R203 F204 Q205 L209 Q210 T211 | R203-T207 PolarHBondContact O-N 2.9Å; R203-T207 VanDerWaalsContact O-N 3.14Å; R203-T207 PolarHBondContact O-OG1 3.11Å; R203-T207 VanDerWaalsContact O-OG1 3.04Å; F204-T207 WeakPolarHBondContact O-CB 3.27Å; F204-T207 PolarHBondContact O-N 2.95Å; F204-T207 VanDerWaalsContact O-N 3.17Å; Q205-T207 VanDerWaalsContact C-N 3.31Å; Q205-T207 PolarHBondContact O-N 3.23Å; T207-L209 PolarHBondContact O-N 3.04Å; T207-Q210 WeakPolarHBondContact O-CG 3.38Å; T207-Q210 PolarHBondContact O-N 3.25Å; T207-T211 PolarHBondContact O-N 3.22Å; T207-T211 VanDerWaalsContact O-N 3.15Å; T207-T211 PolarHBondContact O-OG1 3.5Å |
| 208 | Y | 97.4 | Very high | 96.2 | Very high | 76 Ų | 76 | 56 Ų | 56 | 30% | 0.298 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -56.3 | -46.5 | -179 | 175.6 | -94.4 | 0 | 0 | 0 | 112.6 | L104 F204 Q205 Q210 T211 S212 | L104-Y208 HydrophobicContact CD1-CD1 3.78Å; L104-Y208 HydrophobicContact CD1-CE1 3.9Å; L104-Y208 HydrophobicContact CD1-CG 4.14Å; F204-Y208 WeakPolarHBondContact O-CB 3.3Å; F204-Y208 PolarHBondContact O-N 3.49Å; Q205-Y208 PolarHBondContact O-N 3.38Å; Y208-Q210 VanDerWaalsContact C-N 3.3Å; Y208-Q210 PolarHBondContact O-N 3.04Å; Y208-T211 PolarHBondContact O-N 3.42Å; Y208-S212 WeakPolarHBondContact CE2-OG 3.33Å; Y208-S212 WeakPolarHBondContact O-CB 3.31Å; Y208-S212 PolarHBondContact O-N 3.23Å; Y208-S212 PolarHBondContact OH-OG 3.02Å |
| 209 | L | 96.9 | Very high | 96.1 | Very high | 11 Ų | 11 | 55.4 Ų | 55.4 | 6% | 0.058 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.7 | -28 | -176.1 | -71.9 | 171.7 | 0 | 0 | 0 | 112.9 | W67 M69 T106 Q205 T207 S215 F217 | W67-L209 HydrophobicContact CH2-CB 3.82Å; W67-L209 HydrophobicContact CZ3-CB 3.61Å; M69-L209 HydrophobicContact CE-CD1 3.73Å; T106-L209 HydrophobicContact CG2-CD1 4.18Å; T106-L209 HydrophobicContact CG2-CD2 3.86Å; T106-L209 HydrophobicContact CG2-CG 4.32Å; Q205-L209 WeakPolarHBondContact O-CB 3.48Å; Q205-L209 WeakPolarHBondContact O-CG 3.5Å; Q205-L209 PolarHBondContact O-N 2.92Å; T207-L209 PolarHBondContact O-N 3.04Å; L209-S215 WeakPolarHBondContact O-CB 3.46Å; L209-S215 PolarHBondContact O-OG 2.95Å; L209-F217 HydrophobicContact CB-CD2 4.03Å; L209-F217 HydrophobicContact CD1-CE2 4.24Å; L209-F217 HydrophobicContact CD2-CD2 4.01Å; L209-F217 HydrophobicContact CD2-CE2 4.09Å; L209-F217 HydrophobicContact CG-CD2 4.42Å |
| 210 | Q | 97.6 | Very high | 96.1 | Very high | 23 Ų | 23 | 54 Ų | 54 | 11% | 0.107 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -93.1 | -14 | 178.7 | 73.2 | -170.4 | -65.3 | 0 | 0 | 114.3 | I42 I48 W67 C206 T207 Y208 T218 | I42-Q210 HydrophobicContact CD1-CB 3.79Å; I42-Q210 HydrophobicContact CG1-CB 4.02Å; I48-Q210 PolarHBondContact O-NE2 2.79Å; I48-Q210 PolarHBondContact O-OE1 3.44Å; W67-Q210 HydrophobicContact CH2-CB 3.89Å; W67-Q210 HydrophobicContact CZ3-CB 4.31Å; C206-Q210 VanDerWaalsContact O-CG 3.31Å; C206-Q210 WeakPolarHBondContact O-CG 3.45Å; C206-Q210 PolarHBondContact O-N 2.95Å; C206-Q210 PolarHBondContact O-NE2 2.91Å; T207-Q210 WeakPolarHBondContact O-CG 3.38Å; T207-Q210 PolarHBondContact O-N 3.25Å; Y208-Q210 VanDerWaalsContact C-N 3.3Å; Y208-Q210 PolarHBondContact O-N 3.04Å; Q210-T218 WeakPolarHBondContact O-CG2 3.44Å |
| 211 | T | 96.9 | Very high | 96.1 | Very high | 96 Ų | 96 | 48.9 Ų | 48.9 | 59% | 0.589 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -118.2 | -25.7 | -177 | 65.6 | 0 | 0 | 0 | 0 | 114.6 | T207 Y208 | T207-T211 PolarHBondContact O-N 3.22Å; T207-T211 VanDerWaalsContact O-N 3.15Å; T207-T211 PolarHBondContact O-OG1 3.5Å; Y208-T211 PolarHBondContact O-N 3.42Å |
| 212 | S | 95.8 | Very high | 96.1 | Very high | 12 Ų | 12 | 46 Ų | 46 | 8% | 0.084 | 23% | 0.234 | C | C | . | . | trans | -68.8 | 132.3 | -175.9 | 177.9 | 0 | 0 | 0 | 0 | 110.8 | Y208 D214 S215 T218 | Y208-S212 WeakPolarHBondContact CE2-OG 3.33Å; Y208-S212 WeakPolarHBondContact O-CB 3.31Å; Y208-S212 PolarHBondContact O-N 3.23Å; Y208-S212 PolarHBondContact OH-OG 3.02Å; S212-D214 PolarHBondContact O-N 2.9Å; S212-D214 PolarHBondContact OG-N 2.87Å; S212-D214 VanDerWaalsContact OG-N 3.15Å; S212-S215 VanDerWaalsContact O-CB 3.31Å; S212-S215 WeakPolarHBondContact O-CB 3.46Å; S212-S215 PolarHBondContact O-N 3.26Å; S212-S215 VanDerWaalsContact O-N 3.1Å; S212-T218 VanDerWaalsContact O-CG2 3.32Å; S212-T218 WeakPolarHBondContact O-CG2 3.38Å; S212-T218 PolarHBondContact O-OG1 3.35Å | ||
| 213 | P | 92.8 | Very high | 96.2 | Very high | 99 Ų | 99 | 46 Ų | 46 | 64% | 0.643 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -17.1 | 172.4 | 29.4 | -35.8 | 0 | 0 | 0 | 112.1 | K219 | P213-K219 WeakPolarHBondContact O-CE 3.27Å; P213-K219 PolarHBondContact O-NZ 2.88Å |
| 214 | D | 90.3 | Very high | 96.3 | Very high | 118 Ų | 118 | 40.1 Ų | 40.1 | 63% | 0.631 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -14.6 | 176.4 | -69.1 | -36.2 | 0 | 0 | 0 | 113.3 | S212 K219 | S212-D214 PolarHBondContact O-N 2.9Å; S212-D214 PolarHBondContact OG-N 2.87Å; S212-D214 VanDerWaalsContact OG-N 3.15Å; D214-K219 IonicContact OD1-NZ 3.76Å |
| 215 | S | 93.2 | Very high | 96.4 | Very high | 4 Ų | 4 | 34.9 Ų | 34.9 | 3% | 0.028 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -66 | 138.4 | 177.8 | -176.7 | 0 | 0 | 0 | 0 | 111.6 | L209 S212 F217 T218 K219 | L209-S215 WeakPolarHBondContact O-CB 3.46Å; L209-S215 PolarHBondContact O-OG 2.95Å; S212-S215 VanDerWaalsContact O-CB 3.31Å; S212-S215 WeakPolarHBondContact O-CB 3.46Å; S212-S215 PolarHBondContact O-N 3.26Å; S212-S215 VanDerWaalsContact O-N 3.1Å; S215-F217 PolarHBondContact O-N 3.07Å; S215-F217 PolarHBondContact OG-N 2.86Å; S215-F217 VanDerWaalsContact OG-N 3.12Å; S215-T218 PolarHBondContact O-N 3.48Å; S215-T218 PolarHBondContact O-OG1 3.07Å; S215-K219 PolarHBondContact O-N 2.85Å |
| 216 | L | 93.4 | Very high | 96.5 | Very high | 49 Ų | 49 | 34 Ų | 34 | 26% | 0.257 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -55.2 | -39.4 | 167.1 | 168.9 | 62.2 | 0 | 0 | 0 | 111.2 | T218 K219 K220 I222 Y288 | L216-T218 VanDerWaalsContact C-N 3.26Å; L216-T218 PolarHBondContact O-N 3.15Å; L216-K219 PolarHBondContact O-N 3.18Å; L216-K220 HydrophobicContact CD1-CB 4.29Å; L216-K220 HydrophobicContact CD1-CD 3.88Å; L216-K220 HydrophobicContact CD1-CG 4.14Å; L216-K220 PolarHBondContact O-N 3.06Å; L216-I222 HydrophobicContact CD1-CD1 4.48Å; L216-I222 HydrophobicContact CD2-CD1 4.38Å; L216-I222 HydrophobicContact CG-CD1 4.28Å; L216-Y288 HydrophobicContact CD1-CD2 4.44Å; L216-Y288 HydrophobicContact CD1-CG 4.17Å; L216-Y288 HydrophobicContact CD2-CD2 3.39Å; L216-Y288 HydrophobicContact CD2-CE2 4Å; L216-Y288 HydrophobicContact CD2-CG 3.96Å; L216-Y288 HydrophobicContact CG-CD2 4.48Å |
| 217 | F | 96.2 | Very high | 96.5 | Very high | 23 Ų | 23 | 34.9 Ų | 34.9 | 10% | 0.101 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -72.5 | -16.8 | -171.4 | -60.4 | -71.2 | 0 | 0 | 0 | 113.9 | F37 N39 I42 H43 W67 L209 S215 | F37-F217 HydrophobicContact CE2-CE1 4.48Å; F37-F217 AromaticContact CZ-CE1 3.75Å; F37-F217 HydrophobicContact CZ-CE1 3.75Å; F37-F217 HydrophobicContact CZ-CZ 4.24Å; N39-F217 HydrophobicContact CB-CD1 3.96Å; N39-F217 WeakPolarHBondContact ND2-CA 3.43Å; N39-F217 PolarHBondContact ND2-O 2.83Å; I42-F217 HydrophobicContact CD1-CB 3.81Å; H43-F217 PolarHBondContact CE1-O 2.88Å; H43-F217 PolarHBondContact NE2-O 3.31Å; W67-F217 HydrophobicContact CE3-CD1 4.21Å; W67-F217 HydrophobicContact CE3-CD2 4.01Å; W67-F217 HydrophobicContact CE3-CE1 4.39Å; W67-F217 HydrophobicContact CE3-CE2 4.2Å; W67-F217 HydrophobicContact CE3-CG 4.01Å; W67-F217 HydrophobicContact CE3-CZ 4.38Å; W67-F217 HydrophobicContact CZ3-CB 4.38Å; W67-F217 HydrophobicContact CZ3-CD2 4.05Å; W67-F217 HydrophobicContact CZ3-CG 4.18Å; L209-F217 HydrophobicContact CB-CD2 4.03Å; L209-F217 HydrophobicContact CD1-CE2 4.24Å; L209-F217 HydrophobicContact CD2-CD2 4.01Å; L209-F217 HydrophobicContact CD2-CE2 4.09Å; L209-F217 HydrophobicContact CG-CD2 4.42Å; S215-F217 PolarHBondContact O-N 3.07Å; S215-F217 PolarHBondContact OG-N 2.86Å; S215-F217 VanDerWaalsContact OG-N 3.12Å |
| 218 | T | 96.3 | Very high | 96.5 | Very high | 31 Ų | 31 | 36.6 Ų | 36.6 | 19% | 0.19 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -91.5 | -18.6 | 171 | 57.7 | 0 | 0 | 0 | 0 | 112.2 | Q210 S212 S215 L216 | Q210-T218 WeakPolarHBondContact O-CG2 3.44Å; S212-T218 VanDerWaalsContact O-CG2 3.32Å; S212-T218 WeakPolarHBondContact O-CG2 3.38Å; S212-T218 PolarHBondContact O-OG1 3.35Å; S215-T218 PolarHBondContact O-N 3.48Å; S215-T218 PolarHBondContact O-OG1 3.07Å; L216-T218 VanDerWaalsContact C-N 3.26Å; L216-T218 PolarHBondContact O-N 3.15Å |
| 219 | K | 95.8 | Very high | 96.5 | Very high | 66 Ų | 66 | 36.6 Ų | 36.6 | 29% | 0.287 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -91.2 | -24.6 | -178.9 | -77 | 173.4 | 170.2 | 147.9 | 0 | 114.2 | P213 D214 S215 L216 V284 | P213-K219 WeakPolarHBondContact O-CE 3.27Å; P213-K219 PolarHBondContact O-NZ 2.88Å; D214-K219 IonicContact OD1-NZ 3.76Å; S215-K219 PolarHBondContact O-N 2.85Å; L216-K219 PolarHBondContact O-N 3.18Å; K219-V284 HydrophobicContact CB-CB 4.11Å; K219-V284 HydrophobicContact CG-CB 4.37Å; K219-V284 WeakPolarHBondContact O-CB 3.38Å; K219-V284 PolarHBondContact O-N 3Å |
| 220 | K | 96.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | B | Isolated β-bridge | trans | -136 | 131.7 | -178.8 | -63.5 | -172.3 | -176.4 | -108 | 0 | 110.8 | N39 H43 D179 L216 I222 I235 I282 N283 V284 G286 Y288 | N39-K220 PolarHBondContact ND2-O 2.79Å; H43-K220 PolarHBondContact NE2-O 3Å; H43-K220 VanDerWaalsContact NE2-O 3.15Å; D179-K220 IonicContact OD2-NZ 2.69Å; D179-K220 PolarHBondContact OD2-NZ 3.03Å; L216-K220 HydrophobicContact CD1-CB 4.29Å; L216-K220 HydrophobicContact CD1-CD 3.88Å; L216-K220 HydrophobicContact CD1-CG 4.14Å; L216-K220 PolarHBondContact O-N 3.06Å; K220-I222 HydrophobicContact CB-CD1 4.03Å; K220-I222 HydrophobicContact CB-CG1 3.9Å; K220-I235 HydrophobicContact CB-CG2 4.25Å; K220-I235 HydrophobicContact CD-CG2 3.99Å; K220-I235 HydrophobicContact CG-CG2 4.44Å; K220-I282 CarbonylContact C-O 2.95Å; K220-I282 WeakPolarHBondContact CA-O 3.26Å; K220-N283 PolarHBondContact NZ-OD1 3.07Å; K220-V284 VanDerWaalsContact CE-O 3.28Å; K220-V284 WeakPolarHBondContact CE-O 3.44Å; K220-G286 WeakPolarHBondContact CE-O 3.49Å; K220-G286 PolarHBondContact NZ-O 3.13Å; K220-Y288 HydrophobicContact CD-CD1 4.48Å |
| 221 | S | 98.1 | Very high | 96.6 | Very high | 4 Ų | 4 | 35.1 Ų | 35.1 | 3% | 0.028 | 20% | 0.2 | C | C | . | . | trans | -85.1 | 118.7 | 165.2 | 60 | 0 | 0 | 0 | 0 | 108.3 | H43 I235 G236 I282 | H43-S221 VanDerWaalsContact CD2-CA 3.47Å; H43-S221 WeakPolarHBondContact CD2-CA 3.46Å; H43-S221 VanDerWaalsContact CD2-CB 3.44Å; H43-S221 WeakPolarHBondContact CD2-CB 3.44Å; H43-S221 WeakPolarHBondContact NE2-CA 3.49Å; S221-I235 CarbonylContact O-C 3.29Å; S221-I235 VanDerWaalsContact O-CA 3.27Å; S221-I235 WeakPolarHBondContact O-CA 3.47Å; S221-G236 PolarHBondContact O-N 2.54Å; S221-G236 WeakPolarHBondContact OG-CA 3.3Å; S221-G236 PolarHBondContact OG-N 2.78Å; S221-I282 PolarHBondContact N-O 3.31Å; S221-I282 PolarHBondContact OG-N 2.91Å; S221-I282 PolarHBondContact OG-O 2.73Å | ||
| 222 | I | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 133.4 | -167.7 | -60 | 164.5 | 0 | 0 | 0 | 108.4 | F37 E38 N39 L216 K220 T224 L234 Y288 | F37-I222 HydrophobicContact CD1-CG2 4.18Å; F37-I222 HydrophobicContact CE1-CG2 3.96Å; E38-I222 WeakPolarHBondContact CA-O 3.36Å; E38-I222 WeakPolarHBondContact CB-O 3.18Å; N39-I222 PolarHBondContact N-O 2.8Å; N39-I222 VanDerWaalsContact N-O 3.13Å; N39-I222 PolarHBondContact OD1-N 2.86Å; N39-I222 PolarHBondContact OD1-O 3.15Å; L216-I222 HydrophobicContact CD1-CD1 4.48Å; L216-I222 HydrophobicContact CD2-CD1 4.38Å; L216-I222 HydrophobicContact CG-CD1 4.28Å; K220-I222 HydrophobicContact CB-CD1 4.03Å; K220-I222 HydrophobicContact CB-CG1 3.9Å; I222-T224 HydrophobicContact CG2-CG2 3.71Å; I222-L234 WeakPolarHBondContact CA-O 2.91Å; I222-Y288 HydrophobicContact CD1-CD1 4.02Å; I222-Y288 HydrophobicContact CD1-CE1 3.79Å; I222-Y288 HydrophobicContact CD1-CE2 4.33Å; I222-Y288 HydrophobicContact CD1-CG 4.38Å; I222-Y288 HydrophobicContact CG1-CD1 4.44Å; I222-Y288 HydrophobicContact CG1-CE1 4.08Å; I222-Y288 HydrophobicContact CG2-CE1 3.97Å |
| 223 | C | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 124.9 | 165.8 | -172.6 | 0 | 0 | 0 | 0 | 108.7 | F37 E38 L40 A233 L234 L267 F271 | F37-C223 CarbonylContact O-C 3.46Å; F37-C223 WeakPolarHBondContact O-CA 3.19Å; E38-C223 HydrophobicContact CB-CB 4.09Å; L40-C223 HydrophobicContact CD1-CB 4.18Å; L40-C223 HydrophobicContact CD2-CB 4.49Å; L40-C223 HydrophobicContact CG-CB 4.48Å; C223-A233 CarbonylContact O-C 3.54Å; C223-A233 VanDerWaalsContact O-CA 3.3Å; C223-A233 WeakPolarHBondContact O-CA 3.47Å; C223-L234 PolarHBondContact N-O 3.02Å; C223-L234 PolarHBondContact O-N 3.17Å; C223-L267 HydrophobicContact CB-CD2 3.85Å; C223-F271 HydrophobicContact CB-CD1 4.4Å; C223-F271 HydrophobicContact CB-CE1 4.43Å; C223-F271 WeakPolarHBondContact O-CE1 3.45Å; C223-F271 WeakPolarHBondContact SG-CD1 3.24Å |
| 224 | T | 98.7 | Very high | 97.1 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.012 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 142.3 | -177.4 | 83.9 | 0 | 0 | 0 | 0 | 110.2 | P36 F37 G126 V127 I222 R232 A233 | P36-T224 CarbonylContact C-O 3.6Å; P36-T224 WeakPolarHBondContact CA-O 3.25Å; P36-T224 WeakPolarHBondContact CB-O 3.33Å; F37-T224 HydrophobicContact CD1-CG2 4.18Å; F37-T224 PolarHBondContact N-O 2.93Å; F37-T224 PolarHBondContact O-N 2.91Å; G126-T224 WeakPolarHBondContact CA-OG1 3.32Å; V127-T224 HydrophobicContact CG1-CG2 3.6Å; V127-T224 PolarHBondContact N-OG1 3.1Å; I222-T224 HydrophobicContact CG2-CG2 3.71Å; T224-R232 CarbonylContact C-O 3.55Å; T224-R232 VanDerWaalsContact CA-O 3.24Å; T224-R232 WeakPolarHBondContact CA-O 3.44Å; T224-A233 HydrophobicContact CG2-CB 3.81Å |
| 225 | L | 98.8 | Very high | 97.5 | Very high | 17 Ų | 17 | 22.7 Ų | 22.7 | 9% | 0.089 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 132.5 | -178.4 | -172.1 | 64.8 | 0 | 0 | 0 | 109.8 | R33 P36 F231 R232 F271 | R33-L225 WeakPolarHBondContact O-CD1 3.41Å; P36-L225 HydrophobicContact CB-CD1 4.39Å; P36-L225 HydrophobicContact CG-CD1 4.07Å; L225-F231 CarbonylContact O-C 3.56Å; L225-F231 WeakPolarHBondContact O-CA 3.41Å; L225-F231 WeakPolarHBondContact O-CB 3.35Å; L225-R232 HydrophobicContact CB-CG 4.06Å; L225-R232 PolarHBondContact N-O 2.83Å; L225-R232 PolarHBondContact O-N 2.79Å; L225-F271 HydrophobicContact CB-CD1 3.81Å; L225-F271 HydrophobicContact CB-CE1 4.21Å |
| 226 | Q | 98.8 | Very high | 97.7 | Very high | 5 Ų | 5 | 22.6 Ų | 22.6 | 2% | 0.023 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 145 | 174.9 | -55.1 | -62 | -60.3 | 0 | 0 | 109.9 | I32 R33 V127 Q130 Y244 | I32-Q226 HydrophobicContact CB-CG 4.11Å; I32-Q226 HydrophobicContact CD1-CG 4.23Å; I32-Q226 HydrophobicContact CG1-CB 4.29Å; I32-Q226 HydrophobicContact CG1-CG 4.18Å; I32-Q226 WeakPolarHBondContact O-CB 3.42Å; I32-Q226 PolarHBondContact O-N 3.25Å; R33-Q226 WeakPolarHBondContact CA-O 3.4Å; R33-Q226 HydrophobicContact CG-CB 4.36Å; V127-Q226 PolarHBondContact O-NE2 2.8Å; Q130-Q226 HydrophobicContact CB-CG 4.26Å; Q130-Q226 HydrophobicContact CG-CG 3.62Å; Q226-Y244 PolarHBondContact OE1-OH 2.86Å |
| 227 | T | 98.4 | Very high | 97.9 | Very high | 23 Ų | 23 | 24 Ų | 24 | 14% | 0.141 | 12% | 0.12 | C | C | . | . | trans | -108.2 | -173.8 | 174 | 65.1 | 0 | 0 | 0 | 0 | 109.8 | W132 D229 G230 | W132-T227 WeakPolarHBondContact CH2-O 3.44Å; W132-T227 WeakPolarHBondContact CZ2-O 3.19Å; T227-D229 PolarHBondContact O-N 3.45Å; T227-D229 PolarHBondContact OG1-OD1 3.47Å; T227-G230 PolarHBondContact N-O 3.23Å; T227-G230 VanDerWaalsContact OG1-CA 3.23Å; T227-G230 WeakPolarHBondContact OG1-CA 3.28Å; T227-G230 PolarHBondContact OG1-N 3.07Å; T227-G230 PolarHBondContact OG1-O 3.37Å | ||
| 228 | T | 97.3 | Very high | 97.9 | Very high | 109 Ų | 109 | 23.8 Ų | 23.8 | 67% | 0.669 | 12% | 0.121 | S | C | * | . | S | Bend | trans | -67.7 | -21.9 | 176.4 | 42.9 | 0 | 0 | 0 | 0 | 114 | ||
| 229 | D | 97.5 | Very high | 98 | Very high | 77 Ų | 77 | 22.4 Ų | 22.4 | 41% | 0.412 | 11% | 0.112 | S | C | . | . | S | Bend | trans | -136.7 | 6.8 | -169.3 | 61.1 | -17.2 | 0 | 0 | 0 | 113 | T227 T243 Y244 | T227-D229 PolarHBondContact O-N 3.45Å; T227-D229 PolarHBondContact OG1-OD1 3.47Å; D229-T243 HydrophobicContact CB-CG2 4.43Å; D229-Y244 WeakPolarHBondContact O-CB 3.14Å; D229-Y244 PolarHBondContact O-N 3.44Å |
| 230 | G | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.7 | -153.6 | -161.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | W132 T227 T242 Y244 | W132-G230 WeakPolarHBondContact CZ2-O 3.41Å; T227-G230 PolarHBondContact N-O 3.23Å; T227-G230 VanDerWaalsContact OG1-CA 3.23Å; T227-G230 WeakPolarHBondContact OG1-CA 3.28Å; T227-G230 PolarHBondContact OG1-N 3.07Å; T227-G230 PolarHBondContact OG1-O 3.37Å; G230-T242 CarbonylContact C-O 3.45Å; G230-T242 WeakPolarHBondContact CA-O 3.45Å; G230-Y244 VanDerWaalsContact CA-CD2 3.47Å |
| 231 | F | 98.7 | Very high | 98.2 | Very high | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.009 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 164.6 | 167.6 | 73.1 | -81.8 | 0 | 0 | 0 | 110.9 | V127 L225 A233 T242 Y244 I290 | V127-F231 HydrophobicContact CB-CD2 4.37Å; V127-F231 HydrophobicContact CB-CE2 3.82Å; V127-F231 HydrophobicContact CB-CZ 4.15Å; V127-F231 HydrophobicContact CG1-CE2 4.16Å; L225-F231 CarbonylContact O-C 3.56Å; L225-F231 WeakPolarHBondContact O-CA 3.41Å; L225-F231 WeakPolarHBondContact O-CB 3.35Å; F231-A233 HydrophobicContact CD2-CB 4.35Å; F231-A233 HydrophobicContact CE2-CB 4.14Å; F231-T242 HydrophobicContact CD1-CG2 4.12Å; F231-T242 HydrophobicContact CE1-CG2 3.62Å; F231-T242 WeakPolarHBondContact CE1-OG1 3.29Å; F231-T242 HydrophobicContact CZ-CG2 4.4Å; F231-T242 WeakPolarHBondContact CZ-OG1 3.15Å; F231-T242 PolarHBondContact N-O 3.07Å; F231-T242 PolarHBondContact O-N 2.91Å; F231-Y244 HydrophobicContact CD1-CE1 4.03Å; F231-Y244 AromaticContact CD1-CZ 3.68Å; F231-Y244 WeakPolarHBondContact CD1-OH 3.5Å; F231-Y244 HydrophobicContact CE1-CE1 4.16Å; F231-I290 HydrophobicContact CE2-CB 4.1Å; F231-I290 HydrophobicContact CZ-CB 3.96Å; F231-I290 WeakPolarHBondContact CZ-OXT 3.29Å |
| 232 | R | 98.6 | Very high | 98.2 | Very high | 59 Ų | 59 | 21.2 Ų | 21.2 | 22% | 0.223 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 146 | 169 | 57.4 | -172.2 | 66.3 | 171.6 | -3.1 | 109.9 | T224 L225 T240 E241 K270 F271 | T224-R232 CarbonylContact C-O 3.55Å; T224-R232 VanDerWaalsContact CA-O 3.24Å; T224-R232 WeakPolarHBondContact CA-O 3.44Å; L225-R232 HydrophobicContact CB-CG 4.06Å; L225-R232 PolarHBondContact N-O 2.83Å; L225-R232 PolarHBondContact O-N 2.79Å; R232-T240 CarbonylContact C-O 3.49Å; R232-T240 VanDerWaalsContact CA-O 3.25Å; R232-T240 WeakPolarHBondContact CA-O 3.11Å; R232-E241 HydrophobicContact CB-CG 4.04Å; R232-E241 IonicContact CZ-OE1 2.99Å; R232-E241 IonicContact NE-OE1 3.11Å; R232-E241 IonicContact NH2-OE1 2.85Å; R232-K270 VanDerWaalsContact CD-O 3.25Å; R232-K270 WeakPolarHBondContact CD-O 3.4Å; R232-K270 PolarHBondContact NH1-O 2.95Å; R232-F271 HydrophobicContact CB-CE1 4.33Å; R232-F271 HydrophobicContact CB-CZ 4.14Å; R232-F271 HydrophobicContact CG-CD1 4.21Å; R232-F271 HydrophobicContact CG-CE1 3.59Å; R232-F271 HydrophobicContact CG-CZ 3.78Å |
| 233 | A | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 136 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110 | V127 C223 T224 F231 L239 T240 I290 | V127-A233 HydrophobicContact CG1-CB 4.38Å; C223-A233 CarbonylContact O-C 3.54Å; C223-A233 VanDerWaalsContact O-CA 3.3Å; C223-A233 WeakPolarHBondContact O-CA 3.47Å; T224-A233 HydrophobicContact CG2-CB 3.81Å; F231-A233 HydrophobicContact CD2-CB 4.35Å; F231-A233 HydrophobicContact CE2-CB 4.14Å; A233-L239 CarbonylContact O-C 3.51Å; A233-L239 WeakPolarHBondContact O-CA 3.39Å; A233-T240 WeakPolarHBondContact CB-OG1 3.35Å; A233-T240 PolarHBondContact N-O 3.01Å; A233-T240 PolarHBondContact O-N 3.41Å; A233-T240 PolarHBondContact O-OG1 3.25Å; A233-I290 HydrophobicContact CB-CG2 4.34Å |
| 234 | L | 98.6 | Very high | 98.2 | Very high | 6 Ų | 6 | 23.7 Ų | 23.7 | 3% | 0.031 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 115 | 170.6 | 178.2 | 59.2 | 0 | 0 | 0 | 107.7 | I222 C223 T238 L239 L258 V263 T266 L267 F271 | I222-L234 WeakPolarHBondContact CA-O 2.91Å; C223-L234 PolarHBondContact N-O 3.02Å; C223-L234 PolarHBondContact O-N 3.17Å; L234-T238 WeakPolarHBondContact CA-O 3.2Å; L234-L239 HydrophobicContact CD1-CB 4.26Å; L234-L258 HydrophobicContact CD1-CD1 3.71Å; L234-V263 HydrophobicContact CD2-CG1 4.06Å; L234-T266 HydrophobicContact CD2-CG2 4.4Å; L234-L267 HydrophobicContact CD2-CD2 3.74Å; L234-L267 HydrophobicContact CD2-CG 3.79Å; L234-F271 HydrophobicContact CB-CE2 3.91Å; L234-F271 HydrophobicContact CB-CZ 3.79Å; L234-F271 HydrophobicContact CD2-CE2 4.49Å |
| 235 | I | 97.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 106.2 | -177.3 | -57.2 | 166.5 | 0 | 0 | 0 | 108.8 | L180 K220 S221 W237 T238 Y288 I290 | L180-I235 HydrophobicContact CD1-CD1 4.02Å; L180-I235 HydrophobicContact CD2-CD1 3.7Å; L180-I235 HydrophobicContact CD2-CG2 4.35Å; L180-I235 HydrophobicContact CG-CD1 4.46Å; K220-I235 HydrophobicContact CB-CG2 4.25Å; K220-I235 HydrophobicContact CD-CG2 3.99Å; K220-I235 HydrophobicContact CG-CG2 4.44Å; S221-I235 CarbonylContact O-C 3.29Å; S221-I235 VanDerWaalsContact O-CA 3.27Å; S221-I235 WeakPolarHBondContact O-CA 3.47Å; I235-W237 PolarHBondContact O-N 2.93Å; I235-T238 PolarHBondContact N-O 2.77Å; I235-T238 PolarHBondContact O-N 2.84Å; I235-Y288 HydrophobicContact CD1-CD1 3.74Å; I235-Y288 HydrophobicContact CD1-CE1 3.63Å; I235-Y288 HydrophobicContact CG1-CE1 4.25Å; I235-I290 HydrophobicContact CD1-CG2 3.66Å |
| 236 | G | 97.5 | Very high | 98 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | -111.3 | -163 | 0 | 0 | 0 | 0 | 0 | 110.5 | S221 | S221-G236 PolarHBondContact O-N 2.54Å; S221-G236 WeakPolarHBondContact OG-CA 3.3Å; S221-G236 PolarHBondContact OG-N 2.78Å |
| 237 | W | 97.9 | Very high | 97.8 | Very high | 79 Ų | 79 | 39 Ų | 39 | 30% | 0.299 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -3 | 179.7 | -61.4 | -90 | 0 | 0 | 0 | 114.3 | I235 L258 D260 P281 N283 | I235-W237 PolarHBondContact O-N 2.93Å; W237-L258 WeakPolarHBondContact O-CB 3.37Å; W237-L258 PolarHBondContact O-N 3.26Å; W237-D260 PolarHBondContact NE1-OD1 2.77Å; W237-P281 HydrophobicContact CD2-CB 4.13Å; W237-P281 HydrophobicContact CH2-CB 4.22Å; W237-P281 WeakPolarHBondContact CH2-O 3.21Å; W237-P281 HydrophobicContact CZ2-CB 3.78Å; W237-P281 HydrophobicContact CZ2-CG 4.26Å; W237-P281 WeakPolarHBondContact CZ2-O 3.41Å; W237-N283 HydrophobicContact CE3-CB 4.46Å; W237-N283 HydrophobicContact CZ3-CB 4.49Å |
| 238 | T | 97.4 | Very high | 97.3 | Very high | 18 Ų | 18 | 46.5 Ų | 46.5 | 11% | 0.11 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 108.2 | -174.8 | -52.5 | 0 | 0 | 0 | 0 | 109.6 | F175 L180 L234 I235 T240 F255 | F175-T238 HydrophobicContact CE1-CG2 4.31Å; L180-T238 HydrophobicContact CD1-CG2 4.12Å; L234-T238 WeakPolarHBondContact CA-O 3.2Å; I235-T238 PolarHBondContact N-O 2.77Å; I235-T238 PolarHBondContact O-N 2.84Å; T238-T240 HydrophobicContact CG2-CG2 3.93Å; T238-F255 HydrophobicContact CG2-CD1 3.82Å; T238-F255 HydrophobicContact CG2-CE1 4.46Å |
| 239 | L | 98.2 | Very high | 97.1 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.016 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 131.5 | 166.6 | 175.5 | 67.4 | 0 | 0 | 0 | 108.9 | A233 L234 F255 I256 L258 T266 K270 F271 | A233-L239 CarbonylContact O-C 3.51Å; A233-L239 WeakPolarHBondContact O-CA 3.39Å; L234-L239 HydrophobicContact CD1-CB 4.26Å; L239-F255 WeakPolarHBondContact O-CA 2.97Å; L239-I256 HydrophobicContact CB-CB 4.35Å; L239-I256 HydrophobicContact CD2-CD1 4.28Å; L239-I256 PolarHBondContact N-O 3.29Å; L239-I256 PolarHBondContact O-N 3.23Å; L239-L258 HydrophobicContact CB-CD1 4.21Å; L239-L258 HydrophobicContact CB-CG 4.33Å; L239-T266 HydrophobicContact CD1-CG2 4.29Å; L239-T266 HydrophobicContact CD2-CG2 4.1Å; L239-K270 HydrophobicContact CD1-CD 4.22Å; L239-K270 HydrophobicContact CD2-CD 3.65Å; L239-F271 HydrophobicContact CD1-CE2 4.09Å; L239-F271 HydrophobicContact CD1-CZ 4.12Å |
| 240 | T | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 133.4 | 174.5 | 68.9 | 0 | 0 | 0 | 0 | 110 | L180 R232 A233 T238 E254 F255 I290 | L180-T240 HydrophobicContact CD1-CG2 4.44Å; R232-T240 CarbonylContact C-O 3.49Å; R232-T240 VanDerWaalsContact CA-O 3.25Å; R232-T240 WeakPolarHBondContact CA-O 3.11Å; A233-T240 WeakPolarHBondContact CB-OG1 3.35Å; A233-T240 PolarHBondContact N-O 3.01Å; A233-T240 PolarHBondContact O-N 3.41Å; A233-T240 PolarHBondContact O-OG1 3.25Å; T238-T240 HydrophobicContact CG2-CG2 3.93Å; T240-E254 CarbonylContact C-O 3.51Å; T240-E254 WeakPolarHBondContact CA-O 3.06Å; T240-F255 HydrophobicContact CG2-CD1 3.36Å; T240-F255 HydrophobicContact CG2-CE1 3.39Å; T240-F255 HydrophobicContact CG2-CG 4.16Å; T240-F255 HydrophobicContact CG2-CZ 4.22Å; T240-I290 HydrophobicContact CG2-CD1 3.7Å; T240-I290 WeakPolarHBondContact OG1-CD1 3.31Å |
| 241 | E | 98.3 | Very high | 96.9 | Very high | 42 Ų | 42 | 44.5 Ų | 44.5 | 20% | 0.196 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 126.5 | 173.7 | -65.6 | -171.7 | 111.4 | 0 | 0 | 108.2 | R232 E254 K270 | R232-E241 HydrophobicContact CB-CG 4.04Å; R232-E241 IonicContact CZ-OE1 2.99Å; R232-E241 IonicContact NE-OE1 3.11Å; R232-E241 IonicContact NH2-OE1 2.85Å; E241-E254 PolarHBondContact N-O 2.81Å; E241-E254 PolarHBondContact O-N 2.84Å; E241-K270 IonicContact OE1-NZ 3.92Å; E241-K270 PolarHBondContact OE1-NZ 3.16Å; E241-K270 IonicContact OE2-NZ 2.67Å; E241-K270 PolarHBondContact OE2-NZ 2.88Å |
| 242 | T | 98.3 | Very high | 96.9 | Very high | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.018 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 125.4 | 180 | -62.5 | 0 | 0 | 0 | 0 | 109.6 | G230 F231 Y244 D251 L252 V253 | G230-T242 CarbonylContact C-O 3.45Å; G230-T242 WeakPolarHBondContact CA-O 3.45Å; F231-T242 HydrophobicContact CD1-CG2 4.12Å; F231-T242 HydrophobicContact CE1-CG2 3.62Å; F231-T242 WeakPolarHBondContact CE1-OG1 3.29Å; F231-T242 HydrophobicContact CZ-CG2 4.4Å; F231-T242 WeakPolarHBondContact CZ-OG1 3.15Å; F231-T242 PolarHBondContact N-O 3.07Å; F231-T242 PolarHBondContact O-N 2.91Å; T242-Y244 HydrophobicContact CG2-CD1 4.26Å; T242-Y244 HydrophobicContact CG2-CE1 4.21Å; T242-D251 HydrophobicContact CG2-CB 4.18Å; T242-L252 CarbonylContact C-O 3.6Å; T242-L252 WeakPolarHBondContact CA-O 3.01Å; T242-V253 HydrophobicContact CG2-CG2 4.23Å |
| 243 | T | 98.5 | Very high | 96.8 | Very high | 35 Ų | 35 | 42.3 Ų | 42.3 | 22% | 0.215 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 119.3 | 170.5 | -55.2 | 0 | 0 | 0 | 0 | 109 | D229 D251 L252 | D229-T243 HydrophobicContact CB-CG2 4.43Å; T243-D251 CarbonylContact O-C 3.36Å; T243-D251 WeakPolarHBondContact O-CA 3.36Å; T243-L252 PolarHBondContact N-O 3.2Å; T243-L252 PolarHBondContact O-N 3.19Å |
| 244 | Y | 98 | Very high | 96.8 | Very high | 16 Ų | 16 | 46.7 Ų | 46.7 | 6% | 0.063 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 138 | 179.9 | -65.4 | -47.8 | 0 | 0 | 0 | 111.5 | S128 W132 P147 Q226 D229 G230 F231 T242 Y246 D251 | S128-Y244 WeakPolarHBondContact CA-OH 3.25Å; W132-Y244 AromaticContact CE2-CE2 3.94Å; W132-Y244 HydrophobicContact CH2-CD2 4.14Å; W132-Y244 HydrophobicContact CH2-CE2 4.33Å; W132-Y244 AromaticContact CZ2-CD2 3.82Å; W132-Y244 HydrophobicContact CZ2-CD2 3.82Å; W132-Y244 AromaticContact CZ2-CE2 3.56Å; W132-Y244 HydrophobicContact CZ2-CE2 3.56Å; P147-Y244 HydrophobicContact CB-CE1 4.14Å; P147-Y244 HydrophobicContact CB-CE2 3.93Å; P147-Y244 HydrophobicContact CG-CD2 4.45Å; P147-Y244 HydrophobicContact CG-CE2 3.81Å; Q226-Y244 PolarHBondContact OE1-OH 2.86Å; D229-Y244 WeakPolarHBondContact O-CB 3.14Å; D229-Y244 PolarHBondContact O-N 3.44Å; G230-Y244 VanDerWaalsContact CA-CD2 3.47Å; F231-Y244 HydrophobicContact CD1-CE1 4.03Å; F231-Y244 AromaticContact CD1-CZ 3.68Å; F231-Y244 WeakPolarHBondContact CD1-OH 3.5Å; F231-Y244 HydrophobicContact CE1-CE1 4.16Å; T242-Y244 HydrophobicContact CG2-CD1 4.26Å; T242-Y244 HydrophobicContact CG2-CE1 4.21Å; Y244-Y246 PolarHBondContact O-N 3.37Å; Y244-Y246 VanDerWaalsContact O-N 3.16Å; Y244-D251 VanDerWaalsContact CA-OD1 3.31Å; Y244-D251 WeakPolarHBondContact CA-OD1 3.46Å |
| 245 | N | 96.5 | Very high | 96.7 | Very high | 86 Ų | 86 | 47 Ų | 47 | 46% | 0.46 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 51.2 | 38.4 | 175 | -163.6 | 43 | 0 | 0 | 0 | 113.7 | K247 N249 M250 D251 | N245-K247 PolarHBondContact O-N 2.77Å; N245-N249 WeakPolarHBondContact OD1-CA 3.23Å; N245-N249 PolarHBondContact OD1-N 2.83Å; N245-M250 CarbonylContact C-O 3.58Å; N245-M250 WeakPolarHBondContact CA-O 3.34Å; N245-D251 PolarHBondContact N-OD1 2.93Å |
| 246 | Y | 96.6 | Very high | 96.6 | Very high | 134 Ų | 134 | 50.9 Ų | 50.9 | 53% | 0.525 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.7 | -39.6 | 177.8 | 170.7 | -104.6 | 0 | 0 | 0 | 112.7 | Y244 M250 L252 | Y244-Y246 PolarHBondContact O-N 3.37Å; Y244-Y246 VanDerWaalsContact O-N 3.16Å; Y246-M250 PolarHBondContact N-O 2.86Å; Y246-L252 HydrophobicContact CD1-CB 3.98Å; Y246-L252 HydrophobicContact CD2-CB 4.2Å; Y246-L252 HydrophobicContact CD2-CD2 3.95Å; Y246-L252 HydrophobicContact CE2-CD2 4.06Å; Y246-L252 HydrophobicContact CG-CB 3.68Å; Y246-L252 HydrophobicContact CG-CD2 4.23Å |
| 247 | K | 93.9 | Very high | 96.6 | Very high | 127 Ų | 127 | 54.9 Ų | 54.9 | 55% | 0.552 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 122.2 | 174.8 | -176.2 | 178 | -178.8 | 179.8 | 0 | 110.5 | N245 N249 M250 | N245-K247 PolarHBondContact O-N 2.77Å; K247-N249 PolarHBondContact O-N 2.8Å; K247-M250 HydrophobicContact CB-CE 4.17Å; K247-M250 PolarHBondContact N-O 2.95Å; K247-M250 WeakPolarHBondContact O-CA 3.47Å; K247-M250 WeakPolarHBondContact O-CB 3.43Å; K247-M250 PolarHBondContact O-N 2.78Å |
| 248 | E | 89.4 | Confident | 96.6 | Very high | 180 Ų | 180 | 51.7 Ų | 51.7 | 84% | 0.841 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 32.2 | 72.8 | 168.4 | -66.7 | -178.7 | 178.9 | 0 | 0 | 115.1 | M250 | E248-M250 VanDerWaalsContact C-N 3.33Å; E248-M250 PolarHBondContact O-N 3.1Å |
| 249 | N | 91.7 | Very high | 96.6 | Very high | 94 Ų | 94 | 57.3 Ų | 57.3 | 50% | 0.503 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 34.4 | 179.1 | -162.4 | 40.9 | 0 | 0 | 0 | 114.4 | R166 K167 N245 K247 | R166-N249 WeakPolarHBondContact CB-O 3.48Å; R166-N249 WeakPolarHBondContact CD-OD1 3.48Å; R166-N249 VanDerWaalsContact CG-OD1 3.31Å; R166-N249 WeakPolarHBondContact CG-OD1 3.43Å; K167-N249 PolarHBondContact N-O 3.28Å; N245-N249 WeakPolarHBondContact OD1-CA 3.23Å; N245-N249 PolarHBondContact OD1-N 2.83Å; K247-N249 PolarHBondContact O-N 2.8Å |
| 250 | M | 95.7 | Very high | 96.5 | Very high | 46 Ų | 46 | 62.4 Ų | 62.4 | 23% | 0.227 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 128.9 | 177.6 | -163.1 | 169.3 | 62.3 | 0 | 0 | 110.7 | K167 Y169 N245 Y246 K247 E248 | K167-M250 HydrophobicContact CB-CB 4.47Å; K167-M250 HydrophobicContact CB-CG 4.05Å; K167-M250 CarbonylContact O-C 3.49Å; K167-M250 VanDerWaalsContact O-CA 3.26Å; K167-M250 WeakPolarHBondContact O-CA 3.06Å; K167-M250 WeakPolarHBondContact O-CG 3.19Å; Y169-M250 HydrophobicContact CG-CE 4.13Å; N245-M250 CarbonylContact C-O 3.58Å; N245-M250 WeakPolarHBondContact CA-O 3.34Å; Y246-M250 PolarHBondContact N-O 2.86Å; K247-M250 HydrophobicContact CB-CE 4.17Å; K247-M250 PolarHBondContact N-O 2.95Å; K247-M250 WeakPolarHBondContact O-CA 3.47Å; K247-M250 WeakPolarHBondContact O-CB 3.43Å; K247-M250 PolarHBondContact O-N 2.78Å; E248-M250 VanDerWaalsContact C-N 3.33Å; E248-M250 PolarHBondContact O-N 3.1Å |
| 251 | D | 97.4 | Very high | 96.3 | Very high | 3 Ų | 3 | 71.3 Ų | 71.3 | 2% | 0.016 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 137.2 | 173 | -59.3 | -24.3 | 0 | 0 | 0 | 109.1 | R166 K167 Q168 Y169 T242 T243 Y244 N245 | R166-D251 WeakPolarHBondContact CD-OD1 3.49Å; R166-D251 IonicContact NH1-OD1 3.06Å; R166-D251 PolarHBondContact NH1-OD1 3.29Å; R166-D251 VanDerWaalsContact NH1-OD1 3.1Å; K167-D251 PolarHBondContact O-N 2.8Å; Q168-D251 CarbonylContact C-O 3.54Å; Q168-D251 WeakPolarHBondContact CA-O 3.25Å; Y169-D251 PolarHBondContact N-O 2.84Å; T242-D251 HydrophobicContact CG2-CB 4.18Å; T243-D251 CarbonylContact O-C 3.36Å; T243-D251 WeakPolarHBondContact O-CA 3.36Å; Y244-D251 VanDerWaalsContact CA-OD1 3.31Å; Y244-D251 WeakPolarHBondContact CA-OD1 3.46Å; N245-D251 PolarHBondContact N-OD1 2.93Å |
| 252 | L | 97.7 | Very high | 96.3 | Very high | 15 Ų | 15 | 73.5 Ų | 73.5 | 8% | 0.079 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 131.4 | 171 | 168.3 | 65.8 | 0 | 0 | 0 | 108.4 | Y169 P171 T242 T243 Y246 E254 | Y169-L252 HydrophobicContact CD1-CD1 3.73Å; Y169-L252 HydrophobicContact CE1-CD1 4.24Å; P171-L252 HydrophobicContact CG-CD1 3.43Å; P171-L252 VanDerWaalsContact CG-CD1 3.43Å; T242-L252 CarbonylContact C-O 3.6Å; T242-L252 WeakPolarHBondContact CA-O 3.01Å; T243-L252 PolarHBondContact N-O 3.2Å; T243-L252 PolarHBondContact O-N 3.19Å; Y246-L252 HydrophobicContact CD1-CB 3.98Å; Y246-L252 HydrophobicContact CD2-CB 4.2Å; Y246-L252 HydrophobicContact CD2-CD2 3.95Å; Y246-L252 HydrophobicContact CE2-CD2 4.06Å; Y246-L252 HydrophobicContact CG-CB 3.68Å; Y246-L252 HydrophobicContact CG-CD2 4.23Å; L252-E254 HydrophobicContact CD1-CG 4.07Å; L252-E254 HydrophobicContact CD2-CG 4.26Å; L252-E254 HydrophobicContact CG-CG 4.03Å |
| 253 | V | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 111.9 | 176.6 | -169.4 | 0 | 0 | 0 | 0 | 109.7 | Q168 Y169 I170 P171 L181 T242 F255 I290 | Q168-V253 HydrophobicContact CB-CG2 4.15Å; Q168-V253 HydrophobicContact CG-CG2 4.14Å; Y169-V253 PolarHBondContact O-N 3.18Å; I170-V253 HydrophobicContact CG1-CB 4.32Å; P171-V253 WeakPolarHBondContact CD-O 3.44Å; L181-V253 HydrophobicContact CD2-CG1 4.42Å; T242-V253 HydrophobicContact CG2-CG2 4.23Å; V253-F255 HydrophobicContact CB-CE2 4.24Å; V253-F255 HydrophobicContact CG1-CD2 4.09Å; V253-F255 HydrophobicContact CG1-CE2 3.4Å; V253-F255 HydrophobicContact CG1-CZ 3.88Å; V253-I290 HydrophobicContact CG1-CD1 4.02Å |
| 254 | E | 97.3 | Very high | 96.3 | Very high | 93 Ų | 93 | 75.5 Ų | 75.5 | 44% | 0.435 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 141.3 | 179 | -62.8 | -177.9 | 98.8 | 0 | 0 | 110 | T240 E241 L252 | T240-E254 CarbonylContact C-O 3.51Å; T240-E254 WeakPolarHBondContact CA-O 3.06Å; E241-E254 PolarHBondContact N-O 2.81Å; E241-E254 PolarHBondContact O-N 2.84Å; L252-E254 HydrophobicContact CD1-CG 4.07Å; L252-E254 HydrophobicContact CD2-CG 4.26Å; L252-E254 HydrophobicContact CG-CG 4.03Å |
| 255 | F | 96.8 | Very high | 96.3 | Very high | 12 Ų | 12 | 80.7 Ų | 80.7 | 5% | 0.053 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 135.8 | -178.4 | -73.3 | -98 | 0 | 0 | 0 | 110.1 | I170 F175 L180 L181 T238 L239 T240 V253 I290 | I170-F255 HydrophobicContact CG2-CD2 4.06Å; I170-F255 HydrophobicContact CG2-CE2 4.1Å; F175-F255 HydrophobicContact CB-CB 4.04Å; F175-F255 HydrophobicContact CB-CD1 4.12Å; F175-F255 HydrophobicContact CB-CD2 3.6Å; F175-F255 HydrophobicContact CB-CE2 4.01Å; F175-F255 HydrophobicContact CB-CG 3.66Å; F175-F255 HydrophobicContact CB-CZ 4.46Å; F175-F255 HydrophobicContact CD1-CB 3.7Å; F175-F255 AromaticContact CD1-CD1 3.5Å; F175-F255 HydrophobicContact CD1-CD1 3.5Å; F175-F255 VanDerWaalsContact CD1-CD1 3.5Å; F175-F255 HydrophobicContact CD1-CD2 4.44Å; F175-F255 HydrophobicContact CD1-CE1 4.23Å; F175-F255 AromaticContact CD1-CG 3.65Å; F175-F255 HydrophobicContact CD1-CG 3.65Å; F175-F255 HydrophobicContact CD2-CB 3.36Å; F175-F255 HydrophobicContact CD2-CD2 4.49Å; F175-F255 AromaticContact CD2-CG 3.98Å; F175-F255 HydrophobicContact CD2-CG 3.98Å; F175-F255 HydrophobicContact CE1-CB 3.9Å; F175-F255 HydrophobicContact CE1-CD1 4.01Å; F175-F255 HydrophobicContact CE1-CG 4.24Å; F175-F255 HydrophobicContact CE2-CB 3.57Å; F175-F255 HydrophobicContact CG-CB 3.41Å; F175-F255 VanDerWaalsContact CG-CB 3.41Å; F175-F255 AromaticContact CG-CD1 3.85Å; F175-F255 HydrophobicContact CG-CD1 3.85Å; F175-F255 AromaticContact CG-CD2 3.96Å; F175-F255 HydrophobicContact CG-CD2 3.96Å; F175-F255 AromaticContact CG-CG 3.48Å; F175-F255 HydrophobicContact CG-CG 3.48Å; F175-F255 VanDerWaalsContact CG-CG 3.48Å; F175-F255 HydrophobicContact CZ-CB 3.83Å; L180-F255 HydrophobicContact CB-CE1 4.44Å; L180-F255 HydrophobicContact CD1-CE1 4.28Å; L181-F255 HydrophobicContact CD2-CE2 4Å; L181-F255 HydrophobicContact CD2-CZ 3.74Å; L181-F255 HydrophobicContact CG-CE2 4.49Å; L181-F255 HydrophobicContact CG-CZ 4.06Å; T238-F255 HydrophobicContact CG2-CD1 3.82Å; T238-F255 HydrophobicContact CG2-CE1 4.46Å; L239-F255 WeakPolarHBondContact O-CA 2.97Å; T240-F255 HydrophobicContact CG2-CD1 3.36Å; T240-F255 HydrophobicContact CG2-CE1 3.39Å; T240-F255 HydrophobicContact CG2-CG 4.16Å; T240-F255 HydrophobicContact CG2-CZ 4.22Å; V253-F255 HydrophobicContact CB-CE2 4.24Å; V253-F255 HydrophobicContact CG1-CD2 4.09Å; V253-F255 HydrophobicContact CG1-CE2 3.4Å; V253-F255 HydrophobicContact CG1-CZ 3.88Å; F255-I290 HydrophobicContact CE1-CD1 4.19Å; F255-I290 HydrophobicContact CZ-CD1 3.95Å |
| 256 | I | 96.1 | Very high | 96.4 | Very high | 81 Ų | 81 | 77.2 Ų | 77.2 | 42% | 0.415 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 127.6 | 174.8 | -56.6 | 172.7 | 0 | 0 | 0 | 107.3 | L239 L258 | L239-I256 HydrophobicContact CB-CB 4.35Å; L239-I256 HydrophobicContact CD2-CD1 4.28Å; L239-I256 PolarHBondContact N-O 3.29Å; L239-I256 PolarHBondContact O-N 3.23Å; I256-L258 HydrophobicContact CG2-CD2 3.91Å |
| 257 | T | 96.7 | Very high | 96.5 | Very high | 86 Ų | 86 | 70.9 Ų | 70.9 | 53% | 0.528 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 127.9 | 166.7 | -58.5 | 0 | 0 | 0 | 0 | 107.9 | ||
| 258 | L | 97.8 | Very high | 96.8 | Very high | 11 Ų | 11 | 71.1 Ų | 71.1 | 6% | 0.058 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -98.4 | 148.5 | 178.7 | -57.5 | 179.8 | 0 | 0 | 0 | 110.6 | L234 W237 L239 I256 E262 V263 T266 | L234-L258 HydrophobicContact CD1-CD1 3.71Å; W237-L258 WeakPolarHBondContact O-CB 3.37Å; W237-L258 PolarHBondContact O-N 3.26Å; L239-L258 HydrophobicContact CB-CD1 4.21Å; L239-L258 HydrophobicContact CB-CG 4.33Å; I256-L258 HydrophobicContact CG2-CD2 3.91Å; L258-E262 WeakPolarHBondContact CA-OE2 3.45Å; L258-E262 HydrophobicContact CB-CB 4.19Å; L258-E262 HydrophobicContact CD2-CB 4.46Å; L258-V263 HydrophobicContact CB-CG2 4.43Å; L258-T266 HydrophobicContact CD1-CG2 3.95Å; L258-T266 WeakPolarHBondContact CD1-OG1 3.44Å |
| 259 | E | 97.6 | Very high | 97.2 | Very high | 136 Ų | 136 | 68.8 Ų | 68.8 | 64% | 0.636 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -75.3 | 157.8 | 163.7 | -60.3 | -60.4 | 149.8 | 0 | 0 | 110.5 | E261 E262 | E259-E261 PolarHBondContact O-N 2.85Å; E259-E261 VanDerWaalsContact O-N 3.12Å; E259-E262 HydrophobicContact CB-CG 4.27Å; E259-E262 PolarHBondContact N-OE2 2.81Å; E259-E262 WeakPolarHBondContact O-CB 3.42Å; E259-E262 PolarHBondContact O-N 3.31Å |
| 260 | D | 96.1 | Very high | 97.5 | Very high | 111 Ų | 111 | 67.2 Ų | 67.2 | 59% | 0.594 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -48.7 | -43.1 | -179.3 | -85.5 | 15.8 | 0 | 0 | 0 | 112.9 | W237 E262 V263 | W237-D260 PolarHBondContact NE1-OD1 2.77Å; D260-E262 PolarHBondContact O-N 2.96Å; D260-V263 PolarHBondContact O-N 2.89Å |
| 261 | E | 95.4 | Very high | 97.6 | Very high | 186 Ų | 186 | 65.1 Ų | 65.1 | 87% | 0.869 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -70.1 | -19.1 | -175.9 | -63.5 | 164.2 | -169.7 | 0 | 0 | 112.8 | E259 | E259-E261 PolarHBondContact O-N 2.85Å; E259-E261 VanDerWaalsContact O-N 3.12Å |
| 262 | E | 98.1 | Very high | 97.7 | Very high | 88 Ų | 88 | 69 Ų | 69 | 41% | 0.411 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -91.3 | -17.1 | -177.5 | -60.3 | -178.6 | 128.3 | 0 | 0 | 113 | L258 E259 D260 K265 T266 | L258-E262 WeakPolarHBondContact CA-OE2 3.45Å; L258-E262 HydrophobicContact CB-CB 4.19Å; L258-E262 HydrophobicContact CD2-CB 4.46Å; E259-E262 HydrophobicContact CB-CG 4.27Å; E259-E262 PolarHBondContact N-OE2 2.81Å; E259-E262 WeakPolarHBondContact O-CB 3.42Å; E259-E262 PolarHBondContact O-N 3.31Å; D260-E262 PolarHBondContact O-N 2.96Å; E262-K265 PolarHBondContact O-N 3.43Å; E262-T266 VanDerWaalsContact O-CB 3.28Å; E262-T266 WeakPolarHBondContact O-CB 3.44Å; E262-T266 PolarHBondContact O-N 2.97Å; E262-T266 PolarHBondContact O-OG1 2.83Å |
| 263 | V | 98.4 | Very high | 97.7 | Very high | 2 Ų | 2 | 68.3 Ų | 68.3 | 1% | 0.012 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.3 | -54.3 | -173 | 178.5 | 0 | 0 | 0 | 0 | 111.5 | L234 L258 D260 K265 T266 L267 L279 P281 | L234-V263 HydrophobicContact CD2-CG1 4.06Å; L258-V263 HydrophobicContact CB-CG2 4.43Å; D260-V263 PolarHBondContact O-N 2.89Å; V263-K265 VanDerWaalsContact C-N 3.34Å; V263-K265 PolarHBondContact O-N 2.7Å; V263-T266 WeakPolarHBondContact O-CB 3.31Å; V263-T266 PolarHBondContact O-N 2.82Å; V263-L267 WeakPolarHBondContact O-CG 3.5Å; V263-L267 PolarHBondContact O-N 2.85Å; V263-L279 HydrophobicContact CG1-CD2 3.74Å; V263-P281 HydrophobicContact CB-CG 4.42Å; V263-P281 HydrophobicContact CG1-CG 4.06Å; V263-P281 HydrophobicContact CG2-CG 4.18Å |
| 264 | E | 98.4 | Very high | 97.7 | Very high | 79 Ų | 79 | 72.3 Ų | 72.3 | 37% | 0.369 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -68.9 | -33.4 | -178.9 | -69.1 | -170.1 | -164.9 | 0 | 0 | 112.3 | T266 L267 K268 L275 L279 | E264-T266 VanDerWaalsContact C-N 3.33Å; E264-L267 PolarHBondContact O-N 3.12Å; E264-K268 PolarHBondContact O-N 2.62Å; E264-L275 HydrophobicContact CG-CD1 4.45Å; E264-L279 HydrophobicContact CG-CB 4.31Å; E264-L279 PolarHBondContact OE1-N 3.02Å |
| 265 | K | 98.3 | Very high | 97.8 | Very high | 124 Ų | 124 | 68.9 Ų | 68.9 | 54% | 0.539 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61 | -45 | 172 | -179.3 | -176.9 | 172.6 | -171.4 | 0 | 110.7 | E262 V263 K268 E269 | E262-K265 PolarHBondContact O-N 3.43Å; V263-K265 VanDerWaalsContact C-N 3.34Å; V263-K265 PolarHBondContact O-N 2.7Å; K265-K268 PolarHBondContact O-N 2.99Å; K265-E269 VanDerWaalsContact CE-CD 3.49Å; K265-E269 WeakPolarHBondContact CE-OE1 3.31Å; K265-E269 WeakPolarHBondContact CE-OE2 3.47Å; K265-E269 HydrophobicContact CG-CG 4.39Å; K265-E269 WeakPolarHBondContact O-CB 3.38Å; K265-E269 WeakPolarHBondContact O-CG 2.88Å; K265-E269 PolarHBondContact O-N 2.87Å |
| 266 | T | 98.6 | Very high | 97.7 | Very high | 13 Ų | 13 | 74.7 Ų | 74.7 | 8% | 0.08 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.9 | -41 | 177.8 | -63.5 | 0 | 0 | 0 | 0 | 111.7 | L234 L239 L258 E262 V263 E264 K268 E269 K270 F271 | L234-T266 HydrophobicContact CD2-CG2 4.4Å; L239-T266 HydrophobicContact CD1-CG2 4.29Å; L239-T266 HydrophobicContact CD2-CG2 4.1Å; L258-T266 HydrophobicContact CD1-CG2 3.95Å; L258-T266 WeakPolarHBondContact CD1-OG1 3.44Å; E262-T266 VanDerWaalsContact O-CB 3.28Å; E262-T266 WeakPolarHBondContact O-CB 3.44Å; E262-T266 PolarHBondContact O-N 2.97Å; E262-T266 PolarHBondContact O-OG1 2.83Å; V263-T266 WeakPolarHBondContact O-CB 3.31Å; V263-T266 PolarHBondContact O-N 2.82Å; E264-T266 VanDerWaalsContact C-N 3.33Å; T266-K268 VanDerWaalsContact C-N 3.3Å; T266-K268 PolarHBondContact O-N 2.84Å; T266-E269 PolarHBondContact O-N 2.92Å; T266-K270 HydrophobicContact CG2-CB 4.39Å; T266-K270 HydrophobicContact CG2-CD 4.07Å; T266-K270 HydrophobicContact CG2-CG 4.38Å; T266-K270 WeakPolarHBondContact O-CB 3.32Å; T266-K270 PolarHBondContact O-N 2.98Å; T266-F271 HydrophobicContact CG2-CE2 4.35Å |
| 267 | L | 98.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 77.2 Ų | 77.2 | 1% | 0.005 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -56.4 | -44.9 | 173 | -77 | 173.8 | 0 | 0 | 0 | 111.9 | L40 C223 L234 V263 E264 F271 N272 V273 L275 L279 | L40-L267 HydrophobicContact CD1-CD1 3.85Å; L40-L267 HydrophobicContact CD1-CD2 3.78Å; L40-L267 HydrophobicContact CD1-CG 4.49Å; C223-L267 HydrophobicContact CB-CD2 3.85Å; L234-L267 HydrophobicContact CD2-CD2 3.74Å; L234-L267 HydrophobicContact CD2-CG 3.79Å; V263-L267 WeakPolarHBondContact O-CG 3.5Å; V263-L267 PolarHBondContact O-N 2.85Å; E264-L267 PolarHBondContact O-N 3.12Å; L267-F271 HydrophobicContact CD2-CD2 4.24Å; L267-F271 HydrophobicContact CD2-CG 4.48Å; L267-F271 CarbonylContact O-C 3.58Å; L267-F271 WeakPolarHBondContact O-CA 3.28Å; L267-F271 VanDerWaalsContact O-CB 3.29Å; L267-F271 WeakPolarHBondContact O-CB 3.39Å; L267-F271 PolarHBondContact O-N 2.84Å; L267-N272 PolarHBondContact O-N 2.81Å; L267-N272 VanDerWaalsContact O-N 3.11Å; L267-V273 CarbonylContact C-O 3.6Å; L267-V273 HydrophobicContact CB-CB 4.23Å; L267-V273 HydrophobicContact CB-CG1 4.32Å; L267-V273 HydrophobicContact CD2-CG1 4.45Å; L267-V273 PolarHBondContact O-N 2.81Å; L267-L275 HydrophobicContact CD1-CD1 3.85Å; L267-L279 HydrophobicContact CD1-CD2 3.79Å |
| 268 | K | 98.4 | Very high | 97.7 | Very high | 133 Ų | 133 | 81.4 Ų | 81.4 | 58% | 0.578 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -67.4 | -50.1 | 178.5 | -174.5 | 176.5 | 179.3 | 179.7 | 0 | 112.2 | E264 K265 T266 N272 V273 | E264-K268 PolarHBondContact O-N 2.62Å; K265-K268 PolarHBondContact O-N 2.99Å; T266-K268 VanDerWaalsContact C-N 3.3Å; T266-K268 PolarHBondContact O-N 2.84Å; K268-N272 VanDerWaalsContact O-CA 3.31Å; K268-N272 WeakPolarHBondContact O-CA 3.5Å; K268-N272 PolarHBondContact O-N 3.25Å; K268-V273 VanDerWaalsContact CA-O 3.27Å; K268-V273 WeakPolarHBondContact CA-O 3.46Å; K268-V273 PolarHBondContact N-O 2.79Å |
| 269 | E | 98.3 | Very high | 97.8 | Very high | 131 Ų | 131 | 81.2 Ų | 81.2 | 61% | 0.612 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -73.2 | -40.9 | -173.2 | -70.6 | 176.5 | 173.4 | 0 | 0 | 112.9 | K265 T266 | K265-E269 VanDerWaalsContact CE-CD 3.49Å; K265-E269 WeakPolarHBondContact CE-OE1 3.31Å; K265-E269 WeakPolarHBondContact CE-OE2 3.47Å; K265-E269 HydrophobicContact CG-CG 4.39Å; K265-E269 WeakPolarHBondContact O-CB 3.38Å; K265-E269 WeakPolarHBondContact O-CG 2.88Å; K265-E269 PolarHBondContact O-N 2.87Å; T266-E269 PolarHBondContact O-N 2.92Å |
| 270 | K | 98.3 | Very high | 97.8 | Very high | 61 Ų | 61 | 79.4 Ų | 79.4 | 27% | 0.265 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -99.8 | -25.2 | -173.9 | -69.3 | -168.8 | 176.9 | -105.9 | 0 | 114.1 | R232 L239 E241 T266 | R232-K270 VanDerWaalsContact CD-O 3.25Å; R232-K270 WeakPolarHBondContact CD-O 3.4Å; R232-K270 PolarHBondContact NH1-O 2.95Å; L239-K270 HydrophobicContact CD1-CD 4.22Å; L239-K270 HydrophobicContact CD2-CD 3.65Å; E241-K270 IonicContact OE1-NZ 3.92Å; E241-K270 PolarHBondContact OE1-NZ 3.16Å; E241-K270 IonicContact OE2-NZ 2.67Å; E241-K270 PolarHBondContact OE2-NZ 2.88Å; T266-K270 HydrophobicContact CG2-CB 4.39Å; T266-K270 HydrophobicContact CG2-CD 4.07Å; T266-K270 HydrophobicContact CG2-CG 4.38Å; T266-K270 WeakPolarHBondContact O-CB 3.32Å; T266-K270 PolarHBondContact O-N 2.98Å |
| 271 | F | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 74.9 Ų | 74.9 | 0% | 0.004 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -117.5 | -3.7 | -176.5 | -57.6 | -99.8 | 0 | 0 | 0 | 113.4 | C223 L225 R232 L234 L239 T266 L267 V273 | C223-F271 HydrophobicContact CB-CD1 4.4Å; C223-F271 HydrophobicContact CB-CE1 4.43Å; C223-F271 WeakPolarHBondContact O-CE1 3.45Å; C223-F271 WeakPolarHBondContact SG-CD1 3.24Å; L225-F271 HydrophobicContact CB-CD1 3.81Å; L225-F271 HydrophobicContact CB-CE1 4.21Å; R232-F271 HydrophobicContact CB-CE1 4.33Å; R232-F271 HydrophobicContact CB-CZ 4.14Å; R232-F271 HydrophobicContact CG-CD1 4.21Å; R232-F271 HydrophobicContact CG-CE1 3.59Å; R232-F271 HydrophobicContact CG-CZ 3.78Å; L234-F271 HydrophobicContact CB-CE2 3.91Å; L234-F271 HydrophobicContact CB-CZ 3.79Å; L234-F271 HydrophobicContact CD2-CE2 4.49Å; L239-F271 HydrophobicContact CD1-CE2 4.09Å; L239-F271 HydrophobicContact CD1-CZ 4.12Å; T266-F271 HydrophobicContact CG2-CE2 4.35Å; L267-F271 HydrophobicContact CD2-CD2 4.24Å; L267-F271 HydrophobicContact CD2-CG 4.48Å; L267-F271 CarbonylContact O-C 3.58Å; L267-F271 WeakPolarHBondContact O-CA 3.28Å; L267-F271 VanDerWaalsContact O-CB 3.29Å; L267-F271 WeakPolarHBondContact O-CB 3.39Å; L267-F271 PolarHBondContact O-N 2.84Å; F271-V273 HydrophobicContact CB-CB 4.35Å; F271-V273 HydrophobicContact CB-CG2 4Å; F271-V273 PolarHBondContact O-N 3.49Å |
| 272 | N | 98.1 | Very high | 97.9 | Very high | 84 Ų | 84 | 68.5 Ų | 68.5 | 45% | 0.449 | 33% | 0.326 | S | S | . | . | trans | 55.8 | 29.9 | -173.6 | -165 | 30 | 0 | 0 | 0 | 112.8 | L267 K268 | L267-N272 PolarHBondContact O-N 2.81Å; L267-N272 VanDerWaalsContact O-N 3.11Å; K268-N272 VanDerWaalsContact O-CA 3.31Å; K268-N272 WeakPolarHBondContact O-CA 3.5Å; K268-N272 PolarHBondContact O-N 3.25Å | ||
| 273 | V | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | trans | -101.4 | 124 | -179 | 166.6 | 0 | 0 | 0 | 0 | 109.1 | P36 L40 L267 K268 F271 L275 | P36-V273 HydrophobicContact CG-CG2 3.9Å; L40-V273 HydrophobicContact CD1-CG1 3.93Å; L267-V273 CarbonylContact C-O 3.6Å; L267-V273 HydrophobicContact CB-CB 4.23Å; L267-V273 HydrophobicContact CB-CG1 4.32Å; L267-V273 HydrophobicContact CD2-CG1 4.45Å; L267-V273 PolarHBondContact O-N 2.81Å; K268-V273 VanDerWaalsContact CA-O 3.27Å; K268-V273 WeakPolarHBondContact CA-O 3.46Å; K268-V273 PolarHBondContact N-O 2.79Å; F271-V273 HydrophobicContact CB-CB 4.35Å; F271-V273 HydrophobicContact CB-CG2 4Å; F271-V273 PolarHBondContact O-N 3.49Å; V273-L275 HydrophobicContact CG1-CD2 3.87Å; V273-L275 HydrophobicContact CG1-CG 4.29Å | ||
| 274 | T | 98 | Very high | 97.3 | Very high | 84 Ų | 84 | 69.3 Ų | 69.3 | 52% | 0.515 | 34% | 0.336 | S | S | . | . | trans | -116.3 | 131.9 | 168.4 | -57.9 | 0 | 0 | 0 | 0 | 108.5 | R64 | R64-T274 WeakPolarHBondContact CD-O 3.49Š| ||
| 275 | L | 97.8 | Very high | 96.4 | Very high | 22 Ų | 22 | 74.5 Ų | 74.5 | 12% | 0.115 | 36% | 0.357 | C | S | . | . | trans | -99.5 | 144.7 | -179.3 | -57.6 | 175.1 | 0 | 0 | 0 | 109.8 | L40 E264 L267 V273 R277 L279 | L40-L275 HydrophobicContact CB-CD2 4.2Å; L40-L275 HydrophobicContact CD1-CD2 4.16Å; E264-L275 HydrophobicContact CG-CD1 4.45Å; L267-L275 HydrophobicContact CD1-CD1 3.85Å; V273-L275 HydrophobicContact CG1-CD2 3.87Å; V273-L275 HydrophobicContact CG1-CG 4.29Å; L275-R277 WeakPolarHBondContact CB-O 3.33Å; L275-L279 HydrophobicContact CD1-CB 3.69Å; L275-L279 HydrophobicContact CD1-CD1 4.4Å; L275-L279 HydrophobicContact CD1-CD2 4.18Å; L275-L279 HydrophobicContact CD1-CG 4.31Å | ||
| 276 | E | 95.6 | Very high | 94.9 | Very high | 133 Ų | 133 | 70 Ų | 70 | 62% | 0.621 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -88.6 | -19.1 | 177.3 | -66.1 | 179.7 | 160.4 | 0 | 0 | 111.9 | K62 | K62-E276 WeakPolarHBondContact CD-OE1 3.18Å; K62-E276 WeakPolarHBondContact CE-OE1 3.17Å; K62-E276 IonicContact NZ-OE1 3.77Å; K62-E276 PolarHBondContact NZ-OE1 3.42Å; K62-E276 IonicContact NZ-OE2 3.64Å; K62-E276 PolarHBondContact NZ-OE2 2.92Å |
| 277 | R | 96.8 | Very high | 93.4 | Very high | 135 Ų | 135 | 73.4 Ų | 73.4 | 51% | 0.509 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -127 | 153.8 | 178.6 | -64.5 | 179.1 | 176.8 | -167.9 | -0.6 | 109.1 | C44 E45 L275 L279 | C44-R277 HydrophobicContact CB-CB 4.15Å; C44-R277 WeakPolarHBondContact O-CD 3.38Å; E45-R277 PolarHBondContact O-NH1 3.35Å; L275-R277 WeakPolarHBondContact CB-O 3.33Å; R277-L279 PolarHBondContact O-N 3.26Å |
| 278 | K | 96.9 | Very high | 92.6 | Very high | 173 Ų | 173 | 74.2 Ų | 74.2 | 75% | 0.752 | 36% | 0.363 | S | S | * | . | trans | -60.7 | 129.4 | 178.8 | -175.4 | 176.2 | -178.9 | -179.4 | 0 | 110 | ||||
| 279 | L | 98.3 | Very high | 91.9 | Very high | 8 Ų | 8 | 68 Ų | 68 | 4% | 0.042 | 34% | 0.336 | C | S | . | . | trans | -74.5 | 138.9 | 171.7 | -177.4 | 61.7 | 0 | 0 | 0 | 110.4 | L40 H43 V263 E264 L267 L275 R277 P281 | L40-L279 HydrophobicContact CB-CD1 4.46Å; L40-L279 HydrophobicContact CD2-CD1 4.02Å; L40-L279 HydrophobicContact CD2-CD2 4.19Å; H43-L279 HydrophobicContact CB-CD1 3.53Å; V263-L279 HydrophobicContact CG1-CD2 3.74Å; E264-L279 HydrophobicContact CG-CB 4.31Å; E264-L279 PolarHBondContact OE1-N 3.02Å; L267-L279 HydrophobicContact CD1-CD2 3.79Å; L275-L279 HydrophobicContact CD1-CB 3.69Å; L275-L279 HydrophobicContact CD1-CD1 4.4Å; L275-L279 HydrophobicContact CD1-CD2 4.18Å; L275-L279 HydrophobicContact CD1-CG 4.31Å; R277-L279 PolarHBondContact O-N 3.26Å; L279-P281 HydrophobicContact CD2-CG 4.28Å; L279-P281 HydrophobicContact CG-CG 4.22Å; L279-P281 WeakPolarHBondContact O-CD 3.21Å | ||
| 280 | V | 98 | Very high | 91.1 | Very high | 97 Ų | 97 | 61.8 Ų | 61.8 | 59% | 0.588 | 31% | 0.307 | S | S | * | . | trans | -106.8 | 96.8 | 162.4 | -177.1 | 0 | 0 | 0 | 0 | 107.6 | H43 | H43-V280 PolarHBondContact O-N 2.91Š| ||
| 281 | P | 97.3 | Very high | 90.7 | Very high | 17 Ų | 17 | 61.9 Ų | 61.9 | 11% | 0.11 | 31% | 0.309 | C | S | . | . | trans | -63.3 | 143.1 | -179.3 | -16.5 | 29.9 | 0 | 0 | 0 | 110 | W237 V263 L279 | W237-P281 HydrophobicContact CD2-CB 4.13Å; W237-P281 HydrophobicContact CH2-CB 4.22Å; W237-P281 WeakPolarHBondContact CH2-O 3.21Å; W237-P281 HydrophobicContact CZ2-CB 3.78Å; W237-P281 HydrophobicContact CZ2-CG 4.26Å; W237-P281 WeakPolarHBondContact CZ2-O 3.41Å; V263-P281 HydrophobicContact CB-CG 4.42Å; V263-P281 HydrophobicContact CG1-CG 4.06Å; V263-P281 HydrophobicContact CG2-CG 4.18Å; L279-P281 HydrophobicContact CD2-CG 4.28Å; L279-P281 HydrophobicContact CG-CG 4.22Å; L279-P281 WeakPolarHBondContact O-CD 3.21Å | ||
| 282 | I | 96.5 | Very high | 90.3 | Very high | 52 Ų | 52 | 65.1 Ų | 65.1 | 27% | 0.267 | 33% | 0.325 | S | S | . | . | trans | -141.8 | 137.1 | 177.1 | -166.6 | 174.6 | 0 | 0 | 0 | 109.7 | H43 K220 S221 V284 | H43-I282 WeakPolarHBondContact CE1-CG2 3.46Å; H43-I282 WeakPolarHBondContact ND1-CG2 3.31Å; K220-I282 CarbonylContact C-O 2.95Å; K220-I282 WeakPolarHBondContact CA-O 3.26Å; S221-I282 PolarHBondContact N-O 3.31Å; S221-I282 PolarHBondContact OG-N 2.91Å; S221-I282 PolarHBondContact OG-O 2.73Å; I282-V284 HydrophobicContact CD1-CG2 3.79Å; I282-V284 HydrophobicContact CG1-CG2 3.89Å | ||
| 283 | N | 93.5 | Very high | 89.8 | Confident | 39 Ų | 39 | 64 Ų | 64 | 21% | 0.209 | 32% | 0.318 | C | S | . | . | B | Isolated β-bridge | trans | -143.4 | 69.1 | 173.3 | -172.6 | 13.3 | 0 | 0 | 0 | 109.3 | K220 W237 K285 | K220-N283 PolarHBondContact NZ-OD1 3.07Å; W237-N283 HydrophobicContact CE3-CB 4.46Å; W237-N283 HydrophobicContact CZ3-CB 4.49Å; N283-K285 PolarHBondContact O-N 3.08Å |
| 284 | V | 90.8 | Very high | 89.3 | Confident | 68 Ų | 68 | 67.7 Ų | 67.7 | 41% | 0.412 | 34% | 0.337 | S | S | . | . | trans | -63.7 | 125.8 | 171.4 | 179.9 | 0 | 0 | 0 | 0 | 107.6 | K219 K220 I282 G286 | K219-V284 HydrophobicContact CB-CB 4.11Å; K219-V284 HydrophobicContact CG-CB 4.37Å; K219-V284 WeakPolarHBondContact O-CB 3.38Å; K219-V284 PolarHBondContact O-N 3Å; K220-V284 VanDerWaalsContact CE-O 3.28Å; K220-V284 WeakPolarHBondContact CE-O 3.44Å; I282-V284 HydrophobicContact CD1-CG2 3.79Å; I282-V284 HydrophobicContact CG1-CG2 3.89Å; V284-G286 PolarHBondContact O-N 3.07Å; V284-G286 VanDerWaalsContact O-N 3.15Å | ||
| 285 | K | 78.4 | Confident | 88.8 | Confident | 188 Ų | 188 | 66.7 Ų | 66.7 | 82% | 0.817 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -52.7 | 123.9 | 174.9 | -72.8 | -171.9 | 177.1 | -178 | 0 | 109 | N283 | N283-K285 PolarHBondContact O-N 3.08Š|
| 286 | G | 66.6 | Low | 88.2 | Confident | 30 Ų | 30 | 69.7 Ų | 69.7 | 31% | 0.309 | 34% | 0.34 | S | S | . | . | trans | 175.7 | 160.7 | -167.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | K220 V284 Y288 | K220-G286 WeakPolarHBondContact CE-O 3.49Å; K220-G286 PolarHBondContact NZ-O 3.13Å; V284-G286 PolarHBondContact O-N 3.07Å; V284-G286 VanDerWaalsContact O-N 3.15Å; G286-Y288 PolarHBondContact O-N 3.1Å; G286-Y288 VanDerWaalsContact O-N 3.07Å | ||
| 287 | F | 67 | Low | 87.7 | Confident | 83 Ų | 83 | 65.1 Ų | 65.1 | 36% | 0.364 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -75.2 | 105.2 | -168.8 | -167.9 | -83.7 | 0 | 0 | 0 | 112.2 | P96 H97 T289 | P96-F287 HydrophobicContact CB-CE1 4.39Å; P96-F287 HydrophobicContact CB-CE2 4.3Å; P96-F287 HydrophobicContact CB-CZ 4.1Å; P96-F287 VanDerWaalsContact CD-CD1 3.42Å; P96-F287 HydrophobicContact CG-CD1 3.44Å; P96-F287 VanDerWaalsContact CG-CD1 3.44Å; P96-F287 HydrophobicContact CG-CD2 3.87Å; P96-F287 HydrophobicContact CG-CE1 2.93Å; P96-F287 HydrophobicContact CG-CE2 3.38Å; P96-F287 HydrophobicContact CG-CG 3.91Å; P96-F287 HydrophobicContact CG-CZ 2.92Å; H97-F287 HydrophobicContact CB-CB 4.47Å; F287-T289 HydrophobicContact CE1-CG2 4.24Å; F287-T289 HydrophobicContact CE2-CG2 3.78Å; F287-T289 HydrophobicContact CZ-CG2 3.43Å; F287-T289 VanDerWaalsContact CZ-CG2 3.43Å |
| 288 | Y | 82.1 | Confident | 87 | Confident | 19 Ų | 19 | 59.8 Ų | 59.8 | 8% | 0.075 | 31% | 0.305 | C | S | . | . | trans | -156 | 121.5 | 164.1 | -178.9 | -113.3 | 0 | 0 | 0 | 107.9 | V127 L180 L216 K220 I222 I235 G286 | V127-Y288 HydrophobicContact CG1-CE1 4.31Å; V127-Y288 WeakPolarHBondContact CG1-OH 3.46Å; L180-Y288 VanDerWaalsContact CD2-O 3.29Å; L180-Y288 WeakPolarHBondContact CD2-O 3.46Å; L216-Y288 HydrophobicContact CD1-CD2 4.44Å; L216-Y288 HydrophobicContact CD1-CG 4.17Å; L216-Y288 HydrophobicContact CD2-CD2 3.39Å; L216-Y288 HydrophobicContact CD2-CE2 4Å; L216-Y288 HydrophobicContact CD2-CG 3.96Å; L216-Y288 HydrophobicContact CG-CD2 4.48Å; K220-Y288 HydrophobicContact CD-CD1 4.48Å; I222-Y288 HydrophobicContact CD1-CD1 4.02Å; I222-Y288 HydrophobicContact CD1-CE1 3.79Å; I222-Y288 HydrophobicContact CD1-CE2 4.33Å; I222-Y288 HydrophobicContact CD1-CG 4.38Å; I222-Y288 HydrophobicContact CG1-CD1 4.44Å; I222-Y288 HydrophobicContact CG1-CE1 4.08Å; I222-Y288 HydrophobicContact CG2-CE1 3.97Å; I235-Y288 HydrophobicContact CD1-CD1 3.74Å; I235-Y288 HydrophobicContact CD1-CE1 3.63Å; I235-Y288 HydrophobicContact CG1-CE1 4.25Å; G286-Y288 PolarHBondContact O-N 3.1Å; G286-Y288 VanDerWaalsContact O-N 3.07Å | ||
| 289 | T | 83.8 | Confident | 86.1 | Confident | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | trans | -116.6 | 147.5 | -174.1 | 48.4 | 0 | 0 | 0 | 0 | 111 | Y129 L180 E182 F287 | Y129-T289 WeakPolarHBondContact CE2-O 3.02Å; Y129-T289 PolarHBondContact OH-OG1 3.14Å; L180-T289 CarbonylContact O-C 3.48Å; L180-T289 WeakPolarHBondContact O-CA 3.36Å; L180-T289 WeakPolarHBondContact O-CB 3.4Å; E182-T289 HydrophobicContact CB-CG2 4.1Å; F287-T289 HydrophobicContact CE1-CG2 4.24Å; F287-T289 HydrophobicContact CE2-CG2 3.78Å; F287-T289 HydrophobicContact CZ-CG2 3.43Å; F287-T289 VanDerWaalsContact CZ-CG2 3.43Å | ||
| 290 | I | 81.4 | Confident | 85 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | trans | -92.4 | 0 | 177.1 | 66.6 | 175.3 | 0 | 0 | 0 | 112.3 | V127 S128 R165 L180 F231 A233 I235 T240 V253 F255 | V127-I290 HydrophobicContact CB-CB 4.38Å; V127-I290 HydrophobicContact CG1-CB 4.34Å; V127-I290 HydrophobicContact CG1-CG2 3.98Å; S128-I290 WeakPolarHBondContact CB-OXT 3.37Å; S128-I290 PolarHBondContact N-OXT 2.66Å; S128-I290 PolarHBondContact OG-OXT 2.86Å; R165-I290 PolarHBondContact NH1-O 2.74Å; R165-I290 PolarHBondContact NH2-O 3.33Å; L180-I290 HydrophobicContact CB-CG1 4.34Å; L180-I290 HydrophobicContact CB-CG2 4.47Å; L180-I290 WeakPolarHBondContact O-CG1 3.33Å; L180-I290 PolarHBondContact O-N 3.44Å; F231-I290 HydrophobicContact CE2-CB 4.1Å; F231-I290 HydrophobicContact CZ-CB 3.96Å; F231-I290 WeakPolarHBondContact CZ-OXT 3.29Å; A233-I290 HydrophobicContact CB-CG2 4.34Å; I235-I290 HydrophobicContact CD1-CG2 3.66Å; T240-I290 HydrophobicContact CG2-CD1 3.7Å; T240-I290 WeakPolarHBondContact OG1-CD1 3.31Å; V253-I290 HydrophobicContact CG1-CD1 4.02Å; F255-I290 HydrophobicContact CE1-CD1 4.19Å; F255-I290 HydrophobicContact CZ-CD1 3.95Å |
Retrieved 290 of 290 residues in 578.9 ms
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