| 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 | 92 | Very high | 95 | Very high | 39 Ų | 39 | 23.5 Ų | 23.5 | 19% | 0.192 | 11% | 0.107 | C | C | . | . | 0 | 173 | 0 | -66.6 | -42.2 | -85.7 | 0 | 0 | 111 | G3 T69 V73 M77 G119 Y120 | M1-G3 PolarHBondContact O-N 3.16Å; M1-T69 PolarHBondContact O-OG1 3.2Å; M1-V73 VanDerWaalsContact N-CG1 3.28Å; M1-M77 HydrophobicContact CE-CE 3.54Å; M1-M77 HydrophobicContact CE-SD 3.92Å; M1-M77 HydrophobicContact SD-CE 4Å; M1-G119 WeakPolarHBondContact CB-O 3.46Å; M1-Y120 HydrophobicContact CB-CE2 4.45Å; M1-Y120 HydrophobicContact CE-CD1 3.69Å; M1-Y120 HydrophobicContact CE-CE1 4.28Å; M1-Y120 HydrophobicContact CE-CG 4.18Å; M1-Y120 HydrophobicContact CG-CD1 3.61Å; M1-Y120 HydrophobicContact CG-CD2 4.28Å; M1-Y120 HydrophobicContact CG-CE1 3.35Å; M1-Y120 HydrophobicContact CG-CE2 4.04Å; M1-Y120 HydrophobicContact CG-CG 4.05Å; M1-Y120 HydrophobicContact SD-CD1 4.21Å; M1-Y120 HydrophobicContact SD-CE1 4.19Å | |||
| 2 | I | 95.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | trans | -66.8 | 129.9 | -175.2 | -62.1 | 170.8 | 0 | 0 | 0 | 108.9 | A67 V78 F81 L116 G119 | I2-A67 HydrophobicContact CG2-CB 4.11Å; I2-V78 HydrophobicContact CD1-CG1 4.15Å; I2-V78 HydrophobicContact CD1-CG2 4.2Å; I2-V78 HydrophobicContact CG1-CG1 4.44Å; I2-V78 HydrophobicContact CG1-CG2 4.02Å; I2-F81 HydrophobicContact CD1-CD1 3.91Å; I2-F81 HydrophobicContact CD1-CE1 4.38Å; I2-F81 HydrophobicContact CD1-CG 4.49Å; I2-L116 HydrophobicContact CB-CD2 4.45Å; I2-L116 HydrophobicContact CD1-CD1 4.29Å; I2-L116 HydrophobicContact CD1-CD2 4.34Å; I2-L116 HydrophobicContact CG2-CD2 4.28Å; I2-G119 PolarHBondContact N-O 2.98Å; I2-G119 WeakPolarHBondContact O-CA 3.33Å | ||
| 3 | G | 95.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -95 | -29.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | M1 Y20 R21 I24 V68 | M1-G3 PolarHBondContact O-N 3.16Å; G3-Y20 PolarHBondContact O-N 3.46Å; G3-R21 PolarHBondContact O-N 3.16Å; G3-I24 VanDerWaalsContact C-CG1 3.46Å; G3-V68 WeakPolarHBondContact CA-O 3.49Å; G3-V68 PolarHBondContact N-O 3.14Å | ||
| 4 | G | 96.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 153.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | R18 A67 V68 | G4-R18 CarbonylContact C-O 3.55Å; G4-R18 WeakPolarHBondContact CA-O 3.28Å; G4-A67 CarbonylContact O-C 3.59Å; G4-A67 WeakPolarHBondContact O-CA 3.49Å; G4-V68 PolarHBondContact N-O 2.94Å; G4-V68 PolarHBondContact O-N 3.09Å |
| 5 | L | 97 | Very high | 94.8 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 129.1 | 175.9 | -170 | 143.9 | 0 | 0 | 0 | 109.8 | I7 R18 Y20 A66 F81 L82 M85 L112 | L5-I7 HydrophobicContact CD2-CG1 4.19Å; L5-R18 PolarHBondContact N-O 3.3Å; L5-R18 PolarHBondContact O-N 3.03Å; L5-R18 VanDerWaalsContact O-O 3.1Å; L5-Y20 HydrophobicContact CB-CE2 4.02Å; L5-A66 WeakPolarHBondContact CA-O 3.15Å; L5-F81 HydrophobicContact CD1-CD1 4.44Å; L5-F81 HydrophobicContact CD1-CE1 3.57Å; L5-F81 HydrophobicContact CD1-CZ 4.42Å; L5-L82 HydrophobicContact CD1-CD2 3.89Å; L5-M85 HydrophobicContact CD1-SD 3.69Å; L5-M85 HydrophobicContact CD2-CE 3.65Å; L5-M85 HydrophobicContact CD2-SD 3.84Å; L5-M85 HydrophobicContact CG-SD 4.43Å; L5-L112 HydrophobicContact CD2-CD1 4.42Å; L5-L112 HydrophobicContact CD2-CD2 4.14Å |
| 6 | F | 96.6 | Very high | 94.9 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.009 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 140 | -175 | -51.4 | -77.1 | 0 | 0 | 0 | 109.7 | Y8 I16 S17 V19 I24 V29 A66 V68 | F6-Y8 HydrophobicContact CB-CD2 4.23Å; F6-Y8 HydrophobicContact CB-CE2 3.35Å; F6-Y8 WeakPolarHBondContact CB-OH 3.04Å; F6-Y8 HydrophobicContact CG-CE2 4.38Å; F6-I16 WeakPolarHBondContact CA-O 3.3Å; F6-S17 WeakPolarHBondContact CE1-OG 3.48Å; F6-V19 HydrophobicContact CE1-CG2 4.11Å; F6-V19 HydrophobicContact CZ-CG2 4.09Å; F6-I24 HydrophobicContact CE2-CG2 4.14Å; F6-I24 HydrophobicContact CZ-CG2 3.88Å; F6-V29 HydrophobicContact CD1-CG2 3.73Å; F6-V29 HydrophobicContact CE1-CG2 3.37Å; F6-V29 HydrophobicContact CE2-CG2 4.21Å; F6-V29 HydrophobicContact CG-CG2 4.3Å; F6-V29 HydrophobicContact CZ-CG2 3.64Å; F6-A66 PolarHBondContact N-O 2.88Å; F6-A66 PolarHBondContact O-N 3.24Å; F6-V68 HydrophobicContact CD2-CB 4.48Å; F6-V68 HydrophobicContact CD2-CG2 3.59Å; F6-V68 HydrophobicContact CE2-CB 3.99Å; F6-V68 HydrophobicContact CE2-CG2 3.52Å |
| 7 | I | 97.2 | Very high | 94.9 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 126.7 | 173 | -52 | -177.7 | 0 | 0 | 0 | 107.8 | L5 V14 L15 I16 I63 W64 L65 M85 M89 I101 | L5-I7 HydrophobicContact CD2-CG1 4.19Å; I7-V14 CarbonylContact O-C 3.59Å; I7-L15 PolarHBondContact O-N 3.01Å; I7-I16 HydrophobicContact CB-CB 3.97Å; I7-I16 HydrophobicContact CB-CG1 4.36Å; I7-I16 HydrophobicContact CD1-CB 3.99Å; I7-I16 HydrophobicContact CD1-CG1 3.96Å; I7-I16 HydrophobicContact CD1-CG2 4.48Å; I7-I16 HydrophobicContact CG1-CB 3.94Å; I7-I16 HydrophobicContact CG1-CG1 4.4Å; I7-I16 PolarHBondContact N-O 3.11Å; I7-I16 PolarHBondContact O-N 3.37Å; I7-I63 HydrophobicContact CG2-CG2 3.35Å; I7-W64 CarbonylContact C-O 3.58Å; I7-W64 VanDerWaalsContact CA-O 3.29Å; I7-W64 WeakPolarHBondContact CA-O 3.38Å; I7-L65 HydrophobicContact CG1-CG 4.26Å; I7-L65 HydrophobicContact CG2-CG 4.47Å; I7-M85 HydrophobicContact CD1-CE 3.75Å; I7-M85 HydrophobicContact CG1-CE 4.48Å; I7-M89 HydrophobicContact CD1-CE 3.77Å; I7-I101 HydrophobicContact CG2-CD1 3.85Å |
| 8 | Y | 96 | Very high | 95 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 151.8 | -179.1 | -51.9 | -101 | 0 | 0 | 0 | 111.5 | F6 G12 E13 V14 V29 F32 I37 I63 W64 A66 | F6-Y8 HydrophobicContact CB-CD2 4.23Å; F6-Y8 HydrophobicContact CB-CE2 3.35Å; F6-Y8 WeakPolarHBondContact CB-OH 3.04Å; F6-Y8 HydrophobicContact CG-CE2 4.38Å; Y8-G12 WeakPolarHBondContact CD1-O 3.1Å; Y8-E13 CarbonylContact C-O 3.58Å; Y8-E13 WeakPolarHBondContact CA-O 3.41Å; Y8-V14 HydrophobicContact CD1-CG2 3.85Å; Y8-V14 HydrophobicContact CE1-CG2 3.54Å; Y8-V29 HydrophobicContact CE1-CG1 3.87Å; Y8-V29 WeakPolarHBondContact OH-CA 3.46Å; Y8-F32 AromaticContact CD2-CD1 3.83Å; Y8-F32 HydrophobicContact CD2-CD1 3.83Å; Y8-F32 AromaticContact CD2-CE1 3.84Å; Y8-F32 HydrophobicContact CD2-CE1 3.84Å; Y8-F32 HydrophobicContact CE1-CD1 4.36Å; Y8-F32 AromaticContact CE2-CD1 3.4Å; Y8-F32 HydrophobicContact CE2-CD1 3.4Å; Y8-F32 VanDerWaalsContact CE2-CD1 3.4Å; Y8-F32 AromaticContact CE2-CE1 3.81Å; Y8-F32 HydrophobicContact CE2-CE1 3.81Å; Y8-F32 HydrophobicContact CE2-CG 4.34Å; Y8-F32 HydrophobicContact CG-CD1 4.49Å; Y8-F32 AromaticContact CZ-CD1 3.73Å; Y8-I37 HydrophobicContact CD1-CD1 4.06Å; Y8-I37 HydrophobicContact CD2-CD1 4.31Å; Y8-I37 HydrophobicContact CG-CD1 3.8Å; Y8-I63 WeakPolarHBondContact O-CA 3.28Å; Y8-W64 HydrophobicContact CD2-CB 4.48Å; Y8-W64 PolarHBondContact N-O 3Å; Y8-W64 PolarHBondContact O-N 3.35Å; Y8-A66 HydrophobicContact CD2-CB 4.5Å; Y8-A66 HydrophobicContact CE2-CB 3.91Å |
| 9 | N | 95.1 | Very high | 95 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | trans | -82 | -176.8 | 164.9 | 72.4 | 10.2 | 0 | 0 | 0 | 111.6 | K11 G12 E13 L15 N62 E98 | N9-K11 PolarHBondContact O-N 3.35Å; N9-K11 WeakPolarHBondContact OD1-CA 3.39Å; N9-K11 WeakPolarHBondContact OD1-CB 3.38Å; N9-K11 PolarHBondContact OD1-N 3.31Å; N9-G12 PolarHBondContact O-N 3.19Å; N9-G12 VanDerWaalsContact O-N 3.08Å; N9-G12 PolarHBondContact OD1-N 3.26Å; N9-G12 VanDerWaalsContact OD1-N 3.12Å; N9-E13 PolarHBondContact N-O 2.83Å; N9-E13 PolarHBondContact ND2-OE2 2.63Å; N9-E13 PolarHBondContact OD1-N 3.1Å; N9-L15 HydrophobicContact CB-CD1 4.14Å; N9-L15 HydrophobicContact CB-CD2 4.34Å; N9-L15 HydrophobicContact CB-CG 4.26Å; N9-N62 CarbonylContact C-O 3.59Å; N9-E98 WeakPolarHBondContact CB-OE2 3.08Å | ||
| 10 | H | 91.4 | Very high | 95 | Very high | 100 Ų | 100 | 32.7 Ų | 32.7 | 46% | 0.463 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -17.3 | -178.5 | 73.7 | 84.6 | 0 | 0 | 0 | 114.1 | G12 N62 | H10-G12 VanDerWaalsContact C-N 3.32Å; H10-N62 HydrophobicContact CB-CB 4.23Å; H10-N62 PolarHBondContact N-O 2.75Å; H10-N62 VanDerWaalsContact N-O 3.14Å |
| 11 | K | 92.6 | Very high | 95 | Very high | 115 Ų | 115 | 32.2 Ų | 32.2 | 50% | 0.5 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -3.3 | 174.7 | -54.3 | -179.8 | -176 | 172.1 | 0 | 112.2 | N9 E13 H38 | N9-K11 PolarHBondContact O-N 3.35Å; N9-K11 WeakPolarHBondContact OD1-CA 3.39Å; N9-K11 WeakPolarHBondContact OD1-CB 3.38Å; N9-K11 PolarHBondContact OD1-N 3.31Å; K11-E13 VanDerWaalsContact C-N 3.32Å; K11-E13 HydrophobicContact CB-CG 4.38Å; K11-H38 PolarHBondContact O-CE1 3.3Å; K11-H38 PolarHBondContact O-NE2 2.68Å; K11-H38 VanDerWaalsContact O-NE2 3.13Å |
| 12 | G | 91.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | trans | 74.8 | 18.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y8 N9 H10 R33 I37 | Y8-G12 WeakPolarHBondContact CD1-O 3.1Å; N9-G12 PolarHBondContact O-N 3.19Å; N9-G12 VanDerWaalsContact O-N 3.08Å; N9-G12 PolarHBondContact OD1-N 3.26Å; N9-G12 VanDerWaalsContact OD1-N 3.12Å; H10-G12 VanDerWaalsContact C-N 3.32Å; G12-R33 WeakPolarHBondContact O-CD 3.49Å; G12-I37 VanDerWaalsContact CA-CD1 3.47Å | ||
| 13 | E | 93.9 | Very high | 94.7 | Very high | 97 Ų | 97 | 40.9 Ų | 40.9 | 45% | 0.453 | 21% | 0.206 | S | C | . | . | trans | -75.8 | 140 | 167.6 | -61.8 | 165.7 | 166.9 | 0 | 0 | 109.4 | Y8 N9 K11 L15 | Y8-E13 CarbonylContact C-O 3.58Å; Y8-E13 WeakPolarHBondContact CA-O 3.41Å; N9-E13 PolarHBondContact N-O 2.83Å; N9-E13 PolarHBondContact ND2-OE2 2.63Å; N9-E13 PolarHBondContact OD1-N 3.1Å; K11-E13 VanDerWaalsContact C-N 3.32Å; K11-E13 HydrophobicContact CB-CG 4.38Å; E13-L15 PolarHBondContact O-N 2.85Å | ||
| 14 | V | 95.1 | Very high | 94.5 | Very high | 60 Ų | 60 | 41.4 Ų | 41.4 | 36% | 0.364 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 117 | -179.1 | -174.1 | 0 | 0 | 0 | 0 | 109.3 | I7 Y8 I16 V29 | I7-V14 CarbonylContact O-C 3.59Å; Y8-V14 HydrophobicContact CD1-CG2 3.85Å; Y8-V14 HydrophobicContact CE1-CG2 3.54Å; V14-I16 WeakPolarHBondContact CG1-O 3.44Å; V14-V29 HydrophobicContact CG2-CG1 3.26Å |
| 15 | L | 95.8 | Very high | 94 | Very high | 19 Ų | 19 | 43.4 Ų | 43.4 | 10% | 0.099 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | -39.5 | 172.6 | -59.3 | -179.9 | 0 | 0 | 0 | 111.7 | I7 N9 E13 I63 E98 I101 F105 | I7-L15 PolarHBondContact O-N 3.01Å; N9-L15 HydrophobicContact CB-CD1 4.14Å; N9-L15 HydrophobicContact CB-CD2 4.34Å; N9-L15 HydrophobicContact CB-CG 4.26Å; E13-L15 PolarHBondContact O-N 2.85Å; L15-I63 HydrophobicContact CD1-CD1 3.74Å; L15-E98 HydrophobicContact CD1-CB 4.22Å; L15-E98 HydrophobicContact CD1-CG 3.95Å; L15-E98 HydrophobicContact CD2-CG 3.83Å; L15-I101 HydrophobicContact CB-CG2 3.89Å; L15-I101 HydrophobicContact CD1-CB 4.47Å; L15-I101 HydrophobicContact CD1-CD1 3.92Å; L15-I101 HydrophobicContact CD1-CG2 4.36Å; L15-F105 WeakPolarHBondContact O-CE2 3.14Å |
| 16 | I | 96.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 134.8 | 176.7 | -61.2 | -70.4 | 0 | 0 | 0 | 108.4 | F6 I7 V14 I101 F105 I108 Y109 L112 | F6-I16 WeakPolarHBondContact CA-O 3.3Å; I7-I16 HydrophobicContact CB-CB 3.97Å; I7-I16 HydrophobicContact CB-CG1 4.36Å; I7-I16 HydrophobicContact CD1-CB 3.99Å; I7-I16 HydrophobicContact CD1-CG1 3.96Å; I7-I16 HydrophobicContact CD1-CG2 4.48Å; I7-I16 HydrophobicContact CG1-CB 3.94Å; I7-I16 HydrophobicContact CG1-CG1 4.4Å; I7-I16 PolarHBondContact N-O 3.11Å; I7-I16 PolarHBondContact O-N 3.37Å; V14-I16 WeakPolarHBondContact CG1-O 3.44Å; I16-I101 HydrophobicContact CD1-CG2 4.12Å; I16-I101 HydrophobicContact CG1-CG2 3.7Å; I16-F105 HydrophobicContact CD1-CD2 3.39Å; I16-F105 HydrophobicContact CD1-CE2 3.59Å; I16-F105 HydrophobicContact CD1-CG 4.17Å; I16-F105 HydrophobicContact CD1-CZ 4.49Å; I16-I108 HydrophobicContact CD1-CB 4.35Å; I16-I108 HydrophobicContact CD1-CG2 3.97Å; I16-I108 HydrophobicContact CG1-CG2 4.03Å; I16-I108 HydrophobicContact CG2-CG2 4.35Å; I16-Y109 HydrophobicContact CD1-CD2 4.29Å; I16-Y109 HydrophobicContact CD1-CE2 3.66Å; I16-Y109 HydrophobicContact CG2-CE2 4.24Å; I16-L112 HydrophobicContact CG2-CD1 3.79Å |
| 17 | S | 95.3 | Very high | 92.6 | Very high | 51 Ų | 51 | 60.2 Ų | 60.2 | 36% | 0.357 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 114.3 | 172.8 | 177.3 | 0 | 0 | 0 | 0 | 109.2 | F6 Y109 | F6-S17 WeakPolarHBondContact CE1-OG 3.48Å; S17-Y109 PolarHBondContact N-OH 2.81Å; S17-Y109 WeakPolarHBondContact O-CE1 3.31Å; S17-Y109 PolarHBondContact O-OH 2.74Å |
| 18 | R | 95.8 | Very high | 92 | Very high | 79 Ų | 79 | 60.7 Ų | 60.7 | 30% | 0.298 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 121.7 | 173 | -165.5 | 68 | -177.3 | 170.8 | 3.1 | 110.3 | G4 L5 Y20 Y109 L112 D113 | G4-R18 CarbonylContact C-O 3.55Å; G4-R18 WeakPolarHBondContact CA-O 3.28Å; L5-R18 PolarHBondContact N-O 3.3Å; L5-R18 PolarHBondContact O-N 3.03Å; L5-R18 VanDerWaalsContact O-O 3.1Å; R18-Y20 HydrophobicContact CB-CE2 4.28Å; R18-Y20 HydrophobicContact CG-CE1 3.85Å; R18-Y20 HydrophobicContact CG-CE2 3.96Å; R18-Y20 VanDerWaalsContact CG-CZ 3.49Å; R18-Y20 WeakPolarHBondContact CG-OH 3.5Å; R18-Y109 HydrophobicContact CB-CE1 4.47Å; R18-L112 HydrophobicContact CB-CD1 3.92Å; R18-L112 HydrophobicContact CG-CD1 4.35Å; R18-D113 IonicContact CZ-OD1 2.92Å; R18-D113 IonicContact CZ-OD2 3.29Å; R18-D113 VanDerWaalsContact CZ-OD2 3.29Å; R18-D113 IonicContact NE-OD1 2.7Å; R18-D113 PolarHBondContact NE-OD1 3.04Å; R18-D113 IonicContact NE-OD2 3.83Å; R18-D113 IonicContact NH1-OD2 3.86Å; R18-D113 IonicContact NH2-OD1 2.65Å; R18-D113 PolarHBondContact NH2-OD1 3.12Å; R18-D113 IonicContact NH2-OD2 2.75Å; R18-D113 PolarHBondContact NH2-OD2 2.83Å |
| 19 | V | 95.8 | Very high | 91.4 | Very high | 66 Ų | 66 | 61.7 Ų | 61.7 | 40% | 0.4 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 134.7 | -179.5 | 177.8 | 0 | 0 | 0 | 0 | 108.2 | F6 R21 I24 | F6-V19 HydrophobicContact CE1-CG2 4.11Å; F6-V19 HydrophobicContact CZ-CG2 4.09Å; V19-R21 WeakPolarHBondContact CG1-O 3.31Å; V19-I24 HydrophobicContact CG1-CB 4.22Å |
| 20 | Y | 95.6 | Very high | 91.1 | Very high | 20 Ų | 20 | 64.9 Ų | 64.9 | 8% | 0.078 | 33% | 0.33 | C | S | . | . | trans | -117.2 | -8.2 | -177.5 | -58.4 | -78.7 | 0 | 0 | 0 | 113.1 | G3 L5 R18 L112 L116 F118 | G3-Y20 PolarHBondContact O-N 3.46Å; L5-Y20 HydrophobicContact CB-CE2 4.02Å; R18-Y20 HydrophobicContact CB-CE2 4.28Å; R18-Y20 HydrophobicContact CG-CE1 3.85Å; R18-Y20 HydrophobicContact CG-CE2 3.96Å; R18-Y20 VanDerWaalsContact CG-CZ 3.49Å; R18-Y20 WeakPolarHBondContact CG-OH 3.5Å; Y20-L112 WeakPolarHBondContact OH-CB 3.45Å; Y20-L112 PolarHBondContact OH-O 2.96Å; Y20-L116 WeakPolarHBondContact CD1-O 3.24Å; Y20-L116 HydrophobicContact CD2-CD2 3.8Å; Y20-L116 HydrophobicContact CD2-CG 4.39Å; Y20-L116 HydrophobicContact CE1-CB 4.2Å; Y20-L116 HydrophobicContact CE1-CD2 4.27Å; Y20-L116 HydrophobicContact CE1-CG 4.14Å; Y20-L116 WeakPolarHBondContact CE1-O 3.41Å; Y20-L116 HydrophobicContact CE2-CD2 3.26Å; Y20-L116 HydrophobicContact CE2-CG 4.01Å; Y20-L116 HydrophobicContact CG-CD2 4.49Å; Y20-F118 WeakPolarHBondContact O-CD2 3.39Å; Y20-F118 WeakPolarHBondContact O-CE2 3.23Å | ||
| 21 | R | 93.6 | Very high | 91 | Very high | 24 Ų | 24 | 61.2 Ų | 61.2 | 9% | 0.091 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -138.7 | 141.9 | 176.4 | -72.4 | -79.5 | -175.5 | -72.2 | 0.7 | 109.9 | G3 V19 D23 I24 F118 | G3-R21 PolarHBondContact O-N 3.16Å; V19-R21 WeakPolarHBondContact CG1-O 3.31Å; R21-D23 WeakPolarHBondContact CB-OD1 3.38Å; R21-D23 PolarHBondContact O-N 3.04Å; R21-I24 PolarHBondContact O-N 3.43Å; R21-F118 VanDerWaalsContact CZ-O 3.23Å; R21-F118 PolarHBondContact NH1-O 3.02Å; R21-F118 VanDerWaalsContact NH2-CD1 3.31Å; R21-F118 VanDerWaalsContact NH2-CE1 3.29Å; R21-F118 PolarHBondContact NH2-O 3.12Å |
| 22 | D | 91.6 | Very high | 90.9 | Very high | 165 Ų | 165 | 55.8 Ų | 55.8 | 88% | 0.882 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -16.3 | -179.8 | -54.5 | -35.5 | 0 | 0 | 0 | 113.4 | I24 | D22-I24 PolarHBondContact O-N 2.88Š|
| 23 | D | 90.1 | Very high | 90.9 | Very high | 57 Ų | 57 | 60.3 Ų | 60.3 | 31% | 0.305 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -7.3 | 180 | 74.2 | -25.9 | 0 | 0 | 0 | 113.6 | R21 K70 | R21-D23 WeakPolarHBondContact CB-OD1 3.38Å; R21-D23 PolarHBondContact O-N 3.04Å; D23-K70 HydrophobicContact CB-CD 4.38Å; D23-K70 VanDerWaalsContact O-CE 3.3Å; D23-K70 WeakPolarHBondContact O-CE 3.35Å; D23-K70 PolarHBondContact O-NZ 3.45Å |
| 24 | I | 91.8 | Very high | 90.7 | Very high | 10 Ų | 10 | 59.6 Ų | 59.6 | 5% | 0.051 | 31% | 0.313 | C | S | . | . | trans | -99.9 | 97.3 | 175.8 | -54.6 | -50.5 | 0 | 0 | 0 | 110.1 | G3 F6 V19 R21 D22 A28 V68 K70 | G3-I24 VanDerWaalsContact C-CG1 3.46Å; F6-I24 HydrophobicContact CE2-CG2 4.14Å; F6-I24 HydrophobicContact CZ-CG2 3.88Å; V19-I24 HydrophobicContact CG1-CB 4.22Å; R21-I24 PolarHBondContact O-N 3.43Å; D22-I24 PolarHBondContact O-N 2.88Å; I24-A28 HydrophobicContact CG2-CB 3.99Å; I24-V68 HydrophobicContact CD1-CG1 4.04Å; I24-V68 HydrophobicContact CG2-CG1 4.37Å; I24-K70 HydrophobicContact CD1-CD 4.5Å; I24-K70 HydrophobicContact CD1-CG 4.2Å | ||
| 25 | G | 84.5 | Confident | 90.4 | Very high | 43 Ų | 43 | 61 Ų | 61 | 44% | 0.443 | 32% | 0.318 | S | S | . | . | trans | -84.7 | 171.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | N27 A28 | G25-N27 PolarHBondContact O-N 2.76Å; G25-N27 VanDerWaalsContact O-N 3.12Å; G25-A28 WeakPolarHBondContact O-CB 3.34Å; G25-A28 PolarHBondContact O-N 2.75Å | ||
| 26 | R | 80.4 | Confident | 90.1 | Very high | 219 Ų | 219 | 60.3 Ų | 60.3 | 83% | 0.826 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -54.4 | -31.5 | 176.3 | -64.8 | 179.8 | -175.7 | 173.3 | 1.9 | 113 | A28 V29 D30 | R26-A28 PolarHBondContact O-N 2.65Å; R26-A28 VanDerWaalsContact O-N 3.12Å; R26-V29 VanDerWaalsContact O-CB 3.31Å; R26-V29 WeakPolarHBondContact O-CB 3.45Å; R26-V29 PolarHBondContact O-N 3.03Å; R26-D30 PolarHBondContact O-N 2.82Å |
| 27 | N | 85.1 | Confident | 89.8 | Confident | 135 Ų | 135 | 61.4 Ų | 61.4 | 72% | 0.722 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -57.3 | -29.6 | 178.2 | -58 | 4.3 | 0 | 0 | 0 | 113 | G25 V29 A31 | G25-N27 PolarHBondContact O-N 2.76Å; G25-N27 VanDerWaalsContact O-N 3.12Å; N27-V29 VanDerWaalsContact C-N 3.34Å; N27-A31 VanDerWaalsContact O-CB 3.28Å; N27-A31 WeakPolarHBondContact O-CB 3.11Å; N27-A31 PolarHBondContact O-N 2.82Å |
| 28 | A | 83.9 | Confident | 89.5 | Confident | 11 Ų | 11 | 64.1 Ų | 64.1 | 9% | 0.091 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.8 | -36.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | I24 G25 R26 A31 F32 F55 V68 | I24-A28 HydrophobicContact CG2-CB 3.99Å; G25-A28 WeakPolarHBondContact O-CB 3.34Å; G25-A28 PolarHBondContact O-N 2.75Å; R26-A28 PolarHBondContact O-N 2.65Å; R26-A28 VanDerWaalsContact O-N 3.12Å; A28-A31 PolarHBondContact O-N 3.04Å; A28-F32 PolarHBondContact O-N 2.78Å; A28-F32 VanDerWaalsContact O-N 3.16Å; A28-F55 HydrophobicContact CB-CE1 4.34Å; A28-F55 HydrophobicContact CB-CZ 4.19Å; A28-F55 VanDerWaalsContact O-CE1 3.24Å; A28-F55 WeakPolarHBondContact O-CE1 3.39Å; A28-F55 WeakPolarHBondContact O-CZ 3.42Å; A28-V68 HydrophobicContact CB-CG1 4.21Å |
| 29 | V | 83.3 | Confident | 89.1 | Confident | 21 Ų | 21 | 62.2 Ų | 62.2 | 13% | 0.127 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.4 | -47.9 | 177.8 | 179.3 | 0 | 0 | 0 | 0 | 110.4 | F6 Y8 V14 R26 N27 F32 R33 | F6-V29 HydrophobicContact CD1-CG2 3.73Å; F6-V29 HydrophobicContact CE1-CG2 3.37Å; F6-V29 HydrophobicContact CE2-CG2 4.21Å; F6-V29 HydrophobicContact CG-CG2 4.3Å; F6-V29 HydrophobicContact CZ-CG2 3.64Å; Y8-V29 HydrophobicContact CE1-CG1 3.87Å; Y8-V29 WeakPolarHBondContact OH-CA 3.46Å; V14-V29 HydrophobicContact CG2-CG1 3.26Å; R26-V29 VanDerWaalsContact O-CB 3.31Å; R26-V29 WeakPolarHBondContact O-CB 3.45Å; R26-V29 PolarHBondContact O-N 3.03Å; N27-V29 VanDerWaalsContact C-N 3.34Å; V29-F32 PolarHBondContact O-N 2.78Å; V29-R33 PolarHBondContact O-N 3.25Å |
| 30 | D | 88.3 | Confident | 88.2 | Confident | 69 Ų | 69 | 71.5 Ų | 71.5 | 37% | 0.369 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.9 | -39.7 | 178.5 | -73.2 | -41.7 | 0 | 0 | 0 | 112.5 | R26 F32 R33 V34 | R26-D30 PolarHBondContact O-N 2.82Å; D30-F32 VanDerWaalsContact C-N 3.31Å; D30-F32 PolarHBondContact O-N 3.47Å; D30-R33 PolarHBondContact O-N 2.97Å; D30-R33 IonicContact OD1-CZ 3.4Å; D30-R33 IonicContact OD1-NE 3.65Å; D30-R33 IonicContact OD1-NH2 2.68Å; D30-R33 PolarHBondContact OD1-NH2 3.12Å; D30-V34 WeakPolarHBondContact O-CG2 3.45Å; D30-V34 PolarHBondContact O-N 3.33Å |
| 31 | A | 89.8 | Confident | 87.5 | Confident | 23 Ų | 23 | 76.3 Ų | 76.3 | 19% | 0.19 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -59.3 | -42.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | N27 A28 N35 I50 F55 | N27-A31 VanDerWaalsContact O-CB 3.28Å; N27-A31 WeakPolarHBondContact O-CB 3.11Å; N27-A31 PolarHBondContact O-N 2.82Å; A28-A31 PolarHBondContact O-N 3.04Å; A31-N35 VanDerWaalsContact O-CB 3.3Å; A31-N35 WeakPolarHBondContact O-CB 3.35Å; A31-N35 PolarHBondContact O-N 3.29Å; A31-N35 PolarHBondContact O-ND2 3.27Å; A31-I50 HydrophobicContact CB-CG2 4.45Å; A31-F55 HydrophobicContact CB-CZ 4.3Å |
| 32 | F | 91 | Very high | 86.6 | Confident | 0 Ų | 0 | 83.9 Ų | 83.9 | 0% | 0 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -65.3 | -47.1 | 177.3 | -173.4 | -105.2 | 0 | 0 | 0 | 112 | Y8 A28 V29 D30 V34 V36 I37 F55 H57 A66 | Y8-F32 AromaticContact CD2-CD1 3.83Å; Y8-F32 HydrophobicContact CD2-CD1 3.83Å; Y8-F32 AromaticContact CD2-CE1 3.84Å; Y8-F32 HydrophobicContact CD2-CE1 3.84Å; Y8-F32 HydrophobicContact CE1-CD1 4.36Å; Y8-F32 AromaticContact CE2-CD1 3.4Å; Y8-F32 HydrophobicContact CE2-CD1 3.4Å; Y8-F32 VanDerWaalsContact CE2-CD1 3.4Å; Y8-F32 AromaticContact CE2-CE1 3.81Å; Y8-F32 HydrophobicContact CE2-CE1 3.81Å; Y8-F32 HydrophobicContact CE2-CG 4.34Å; Y8-F32 HydrophobicContact CG-CD1 4.49Å; Y8-F32 AromaticContact CZ-CD1 3.73Å; A28-F32 PolarHBondContact O-N 2.78Å; A28-F32 VanDerWaalsContact O-N 3.16Å; V29-F32 PolarHBondContact O-N 2.78Å; D30-F32 VanDerWaalsContact C-N 3.31Å; D30-F32 PolarHBondContact O-N 3.47Å; F32-V34 PolarHBondContact O-N 2.95Å; F32-V36 HydrophobicContact CD2-CB 3.9Å; F32-V36 HydrophobicContact CD2-CG1 4.37Å; F32-V36 HydrophobicContact CD2-CG2 3.7Å; F32-V36 HydrophobicContact CE2-CB 3.72Å; F32-V36 HydrophobicContact CE2-CG1 3.67Å; F32-V36 HydrophobicContact CE2-CG2 3.75Å; F32-V36 HydrophobicContact CG-CB 4.47Å; F32-V36 HydrophobicContact CZ-CB 4.14Å; F32-V36 HydrophobicContact CZ-CG1 3.85Å; F32-V36 WeakPolarHBondContact O-CA 2.94Å; F32-V36 VanDerWaalsContact O-CB 3.31Å; F32-V36 WeakPolarHBondContact O-CB 3.41Å; F32-V36 PolarHBondContact O-N 3.49Å; F32-I37 HydrophobicContact CD1-CD1 3.96Å; F32-I37 HydrophobicContact CD1-CG1 4.14Å; F32-I37 HydrophobicContact CE1-CD1 3.81Å; F32-I37 HydrophobicContact CE1-CG1 3.84Å; F32-I37 PolarHBondContact O-N 2.8Å; F32-F55 HydrophobicContact CB-CD1 3.81Å; F32-F55 HydrophobicContact CB-CE1 3.79Å; F32-F55 HydrophobicContact CD2-CB 3.91Å; F32-F55 AromaticContact CD2-CD1 3.59Å; F32-F55 HydrophobicContact CD2-CD1 3.59Å; F32-F55 HydrophobicContact CD2-CE1 4.42Å; F32-F55 AromaticContact CD2-CG 3.95Å; F32-F55 HydrophobicContact CD2-CG 3.95Å; F32-F55 HydrophobicContact CE2-CB 4.21Å; F32-F55 HydrophobicContact CG-CD1 4.04Å; F32-H57 HydrophobicContact CE2-CB 3.78Å; F32-H57 AromaticContact CE2-CG 3.69Å; F32-H57 AromaticContact CE2-ND1 3.65Å; F32-H57 HydrophobicContact CZ-CB 3.56Å; F32-H57 AromaticContact CZ-CG 3.69Å; F32-A66 HydrophobicContact CD1-CB 4.15Å; F32-A66 HydrophobicContact CD2-CB 4.39Å; F32-A66 HydrophobicContact CE1-CB 3.86Å; F32-A66 HydrophobicContact CE2-CB 4.12Å; F32-A66 HydrophobicContact CG-CB 4.4Å; F32-A66 HydrophobicContact CZ-CB 3.85Å |
| 33 | R | 90.7 | Very high | 85.8 | Confident | 96 Ų | 96 | 78.9 Ų | 78.9 | 36% | 0.362 | 39% | 0.391 | S | S | . | . | I | π-helix | trans | -55.4 | -51.5 | 177.6 | 175.1 | 178.1 | 64.9 | 161 | -4.5 | 111.9 | G12 V29 D30 I37 H38 | G12-R33 WeakPolarHBondContact O-CD 3.49Å; V29-R33 PolarHBondContact O-N 3.25Å; D30-R33 PolarHBondContact O-N 2.97Å; D30-R33 IonicContact OD1-CZ 3.4Å; D30-R33 IonicContact OD1-NE 3.65Å; D30-R33 IonicContact OD1-NH2 2.68Å; D30-R33 PolarHBondContact OD1-NH2 3.12Å; R33-I37 WeakPolarHBondContact O-CB 3.48Å; R33-I37 PolarHBondContact O-N 3.28Å; R33-H38 PolarHBondContact O-N 3.12Å |
| 34 | V | 89.8 | Confident | 84.9 | Confident | 83 Ų | 83 | 86.2 Ų | 86.2 | 50% | 0.503 | 41% | 0.414 | S | S | . | . | I | π-helix | trans | -71.1 | -45.8 | -174.5 | 175.2 | 0 | 0 | 0 | 0 | 111.9 | D30 F32 | D30-V34 WeakPolarHBondContact O-CG2 3.45Å; D30-V34 PolarHBondContact O-N 3.33Å; F32-V34 PolarHBondContact O-N 2.95Å |
| 35 | N | 89.3 | Confident | 84.9 | Confident | 88 Ų | 88 | 88.2 Ų | 88.2 | 47% | 0.471 | 43% | 0.429 | S | S | . | . | I | π-helix | trans | -92.4 | -18.8 | -169 | -62.3 | -73.8 | 0 | 0 | 0 | 114.1 | A31 A39 I50 | A31-N35 VanDerWaalsContact O-CB 3.3Å; A31-N35 WeakPolarHBondContact O-CB 3.35Å; A31-N35 PolarHBondContact O-N 3.29Å; A31-N35 PolarHBondContact O-ND2 3.27Å; N35-A39 WeakPolarHBondContact O-CB 3.47Å; N35-I50 HydrophobicContact CB-CD1 3.69Å |
| 36 | V | 90.5 | Very high | 85.4 | Confident | 5 Ų | 5 | 89.6 Ų | 89.6 | 3% | 0.03 | 43% | 0.431 | C | S | . | . | I | π-helix | trans | -113.6 | -55.8 | -178.9 | -176.1 | 0 | 0 | 0 | 0 | 110.8 | F32 A39 V43 T48 I50 | F32-V36 HydrophobicContact CD2-CB 3.9Å; F32-V36 HydrophobicContact CD2-CG1 4.37Å; F32-V36 HydrophobicContact CD2-CG2 3.7Å; F32-V36 HydrophobicContact CE2-CB 3.72Å; F32-V36 HydrophobicContact CE2-CG1 3.67Å; F32-V36 HydrophobicContact CE2-CG2 3.75Å; F32-V36 HydrophobicContact CG-CB 4.47Å; F32-V36 HydrophobicContact CZ-CB 4.14Å; F32-V36 HydrophobicContact CZ-CG1 3.85Å; F32-V36 WeakPolarHBondContact O-CA 2.94Å; F32-V36 VanDerWaalsContact O-CB 3.31Å; F32-V36 WeakPolarHBondContact O-CB 3.41Å; F32-V36 PolarHBondContact O-N 3.49Å; V36-A39 WeakPolarHBondContact O-CB 3.35Å; V36-A39 PolarHBondContact O-N 2.94Å; V36-V43 HydrophobicContact CG1-CG1 4.03Å; V36-V43 HydrophobicContact CG1-CG2 3.99Å; V36-V43 VanDerWaalsContact O-CG2 3.27Å; V36-V43 WeakPolarHBondContact O-CG2 3.47Å; V36-T48 HydrophobicContact CG2-CG2 4.17Å; V36-I50 HydrophobicContact CG2-CD1 4.31Å |
| 37 | I | 90.2 | Very high | 86.1 | Confident | 24 Ų | 24 | 81.6 Ų | 81.6 | 12% | 0.123 | 41% | 0.406 | C | S | . | . | I | π-helix | trans | -70.6 | -42.5 | -175.3 | -57.7 | 179.4 | 0 | 0 | 0 | 111.2 | Y8 G12 F32 R33 W64 | Y8-I37 HydrophobicContact CD1-CD1 4.06Å; Y8-I37 HydrophobicContact CD2-CD1 4.31Å; Y8-I37 HydrophobicContact CG-CD1 3.8Å; G12-I37 VanDerWaalsContact CA-CD1 3.47Å; F32-I37 HydrophobicContact CD1-CD1 3.96Å; F32-I37 HydrophobicContact CD1-CG1 4.14Å; F32-I37 HydrophobicContact CE1-CD1 3.81Å; F32-I37 HydrophobicContact CE1-CG1 3.84Å; F32-I37 PolarHBondContact O-N 2.8Å; R33-I37 WeakPolarHBondContact O-CB 3.48Å; R33-I37 PolarHBondContact O-N 3.28Å; I37-W64 HydrophobicContact CD1-CG 4.46Å |
| 38 | H | 89.3 | Confident | 86.5 | Confident | 109 Ų | 109 | 76.9 Ų | 76.9 | 51% | 0.505 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 17.7 | 177.9 | -64.3 | 162.9 | 0 | 0 | 0 | 113.9 | K11 R33 R40 | K11-H38 PolarHBondContact O-CE1 3.3Å; K11-H38 PolarHBondContact O-NE2 2.68Å; K11-H38 VanDerWaalsContact O-NE2 3.13Å; R33-H38 PolarHBondContact O-N 3.12Å; H38-R40 PolarHBondContact O-N 3.03Å |
| 39 | A | 86.5 | Confident | 87 | Confident | 39 Ų | 39 | 81.1 Ų | 81.1 | 32% | 0.322 | 40% | 0.403 | S | S | . | . | trans | -57.8 | 125.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | N35 V36 Q41 | N35-A39 WeakPolarHBondContact O-CB 3.47Å; V36-A39 WeakPolarHBondContact O-CB 3.35Å; V36-A39 PolarHBondContact O-N 2.94Å; A39-Q41 CarbonylContact C-O 3.59Å; A39-Q41 VanDerWaalsContact CB-O 3.32Å; A39-Q41 WeakPolarHBondContact CB-O 3.49Å; A39-Q41 PolarHBondContact O-N 3.43Å | ||
| 40 | R | 78 | Confident | 87.4 | Confident | 260 Ų | 260 | 81.6 Ų | 81.6 | 98% | 0.981 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -63.4 | -30.3 | 175 | -68.6 | -175.1 | -179.8 | -176 | 0.5 | 112.1 | H38 | H38-R40 PolarHBondContact O-N 3.03Š|
| 41 | Q | 79.2 | Confident | 87.4 | Confident | 122 Ų | 122 | 82.8 Ų | 82.8 | 57% | 0.57 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -92.1 | 148.4 | 173 | -63.9 | -170.9 | 1.1 | 0 | 0 | 109.7 | A39 V43 | A39-Q41 CarbonylContact C-O 3.59Å; A39-Q41 VanDerWaalsContact CB-O 3.32Å; A39-Q41 WeakPolarHBondContact CB-O 3.49Å; A39-Q41 PolarHBondContact O-N 3.43Å; Q41-V43 PolarHBondContact O-N 3.3Å |
| 42 | Q | 75.8 | Confident | 87.4 | Confident | 182 Ų | 182 | 92.4 Ų | 92.4 | 85% | 0.85 | 46% | 0.455 | S | S | * | . | trans | -55.5 | 135 | 174.1 | -67.8 | -173 | -9.3 | 0 | 0 | 110.4 | R44 | Q42-R44 VanDerWaalsContact O-CG 3.28Å; Q42-R44 WeakPolarHBondContact O-CG 3.39Å; Q42-R44 PolarHBondContact O-N 2.97Å; Q42-R44 VanDerWaalsContact O-N 3.08Å | ||
| 43 | V | 73.4 | Confident | 87.6 | Confident | 61 Ų | 61 | 93 Ų | 93 | 37% | 0.37 | 46% | 0.459 | S | S | . | . | trans | -57.1 | 114.6 | 177.2 | -179.6 | 0 | 0 | 0 | 0 | 108.8 | V36 Q41 H57 W64 | V36-V43 HydrophobicContact CG1-CG1 4.03Å; V36-V43 HydrophobicContact CG1-CG2 3.99Å; V36-V43 VanDerWaalsContact O-CG2 3.27Å; V36-V43 WeakPolarHBondContact O-CG2 3.47Å; Q41-V43 PolarHBondContact O-N 3.3Å; V43-H57 WeakPolarHBondContact CG1-NE2 3.39Å; V43-W64 HydrophobicContact CG2-CH2 4.12Å | ||
| 44 | R | 72.9 | Confident | 87.9 | Confident | 211 Ų | 211 | 89.7 Ų | 89.7 | 80% | 0.796 | 45% | 0.45 | S | S | * | . | trans | -88.1 | -25 | -170.7 | -59.1 | -172.8 | -175.3 | -165.4 | 0.1 | 113.6 | Q42 | Q42-R44 VanDerWaalsContact O-CG 3.28Å; Q42-R44 WeakPolarHBondContact O-CG 3.39Å; Q42-R44 PolarHBondContact O-N 2.97Å; Q42-R44 VanDerWaalsContact O-N 3.08Å | ||
| 45 | S | 91.3 | Very high | 88.1 | Confident | 52 Ų | 52 | 85.8 Ų | 85.8 | 36% | 0.364 | 43% | 0.427 | S | S | . | . | trans | -142.6 | 136.8 | -169.8 | 176.5 | 0 | 0 | 0 | 0 | 111.4 | V47 H57 | S45-V47 WeakPolarHBondContact CB-O 3.3Å; S45-V47 PolarHBondContact O-N 3.29Å; S45-V47 PolarHBondContact OG-N 3.39Å; S45-V47 VanDerWaalsContact OG-N 3.14Å; S45-V47 PolarHBondContact OG-O 2.86Å; S45-H57 PolarHBondContact O-CE1 2.85Å; S45-H57 PolarHBondContact O-NE2 3.23Å | ||
| 46 | P | 94.2 | Very high | 88.5 | Confident | 72 Ų | 72 | 82.1 Ų | 82.1 | 47% | 0.468 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -71.6 | -8.8 | 173.1 | 32.8 | -36.6 | 0 | 0 | 0 | 112.9 | H57 F79 | P46-H57 PolarHBondContact O-N 3.43Å; P46-H57 PolarHBondContact O-ND1 3.29Å; P46-F79 HydrophobicContact CB-CE1 3.98Å; P46-F79 HydrophobicContact CB-CZ 3.77Å; P46-F79 HydrophobicContact CG-CZ 4.15Å |
| 47 | V | 95.9 | Very high | 88.8 | Confident | 50 Ų | 50 | 82.2 Ų | 82.2 | 30% | 0.303 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 120.8 | 171 | -172.4 | 0 | 0 | 0 | 0 | 108.7 | S45 F55 F56 F79 | S45-V47 WeakPolarHBondContact CB-O 3.3Å; S45-V47 PolarHBondContact O-N 3.29Å; S45-V47 PolarHBondContact OG-N 3.39Å; S45-V47 VanDerWaalsContact OG-N 3.14Å; S45-V47 PolarHBondContact OG-O 2.86Å; V47-F55 WeakPolarHBondContact CA-O 3.44Å; V47-F56 HydrophobicContact CB-CD1 4.46Å; V47-F56 HydrophobicContact CG1-CD1 4.09Å; V47-F56 HydrophobicContact CG1-CE1 3.82Å; V47-F56 HydrophobicContact CG1-CZ 4.31Å; V47-F56 HydrophobicContact CG2-CD1 3.63Å; V47-F56 HydrophobicContact CG2-CE1 3.85Å; V47-F79 HydrophobicContact CG2-CE2 3.54Å; V47-F79 HydrophobicContact CG2-CZ 3.58Å |
| 48 | T | 93.9 | Very high | 89 | Confident | 36 Ų | 36 | 81.5 Ų | 81.5 | 22% | 0.221 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 134.4 | 177.5 | -53.9 | 0 | 0 | 0 | 0 | 109.4 | V36 I50 F55 | V36-T48 HydrophobicContact CG2-CG2 4.17Å; T48-I50 HydrophobicContact CG2-CD1 4.17Å; T48-I50 HydrophobicContact CG2-CG1 3.79Å; T48-F55 PolarHBondContact N-O 3.2Å; T48-F55 PolarHBondContact O-N 2.93Å |
| 49 | N | 93.5 | Very high | 89.2 | Confident | 101 Ų | 101 | 81.3 Ų | 81.3 | 54% | 0.54 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 122.2 | 171.7 | -167.9 | -85 | 0 | 0 | 0 | 109.3 | R52 T53 S54 | N49-R52 WeakPolarHBondContact OD1-CA 3.44Å; N49-R52 PolarHBondContact OD1-N 2.86Å; N49-T53 WeakPolarHBondContact CA-O 3.41Å; N49-S54 PolarHBondContact ND2-OG 2.88Å |
| 50 | I | 91.4 | Very high | 89.3 | Confident | 31 Ų | 31 | 83.9 Ų | 83.9 | 16% | 0.159 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 120 | 178.9 | -47.9 | 170.3 | 0 | 0 | 0 | 107.1 | A31 N35 V36 T48 R52 T53 F55 | A31-I50 HydrophobicContact CB-CG2 4.45Å; N35-I50 HydrophobicContact CB-CD1 3.69Å; V36-I50 HydrophobicContact CG2-CD1 4.31Å; T48-I50 HydrophobicContact CG2-CD1 4.17Å; T48-I50 HydrophobicContact CG2-CG1 3.79Å; I50-R52 VanDerWaalsContact C-N 3.29Å; I50-R52 PolarHBondContact O-N 2.7Å; I50-T53 PolarHBondContact N-O 2.93Å; I50-T53 WeakPolarHBondContact O-CA 3.47Å; I50-T53 WeakPolarHBondContact O-CB 3.31Å; I50-T53 PolarHBondContact O-N 3.07Å; I50-F55 HydrophobicContact CB-CD2 4.32Å; I50-F55 HydrophobicContact CB-CE2 3.89Å; I50-F55 HydrophobicContact CD1-CD2 3.95Å; I50-F55 HydrophobicContact CD1-CE2 3.91Å; I50-F55 HydrophobicContact CG1-CD2 4.06Å; I50-F55 HydrophobicContact CG1-CE2 4.07Å |
| 51 | A | 89.1 | Confident | 89.8 | Confident | 94 Ų | 94 | 75.6 Ų | 75.6 | 78% | 0.777 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 49 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | T53 | A51-T53 PolarHBondContact O-N 3.19Å; A51-T53 VanDerWaalsContact O-N 3.16Å |
| 52 | R | 90.5 | Very high | 90.3 | Very high | 224 Ų | 224 | 74.7 Ų | 74.7 | 85% | 0.845 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 14.2 | -177.4 | -53.4 | -177.6 | 177.6 | -173 | -0.9 | 115.2 | N49 I50 | N49-R52 WeakPolarHBondContact OD1-CA 3.44Å; N49-R52 PolarHBondContact OD1-N 2.86Å; I50-R52 VanDerWaalsContact C-N 3.29Å; I50-R52 PolarHBondContact O-N 2.7Å |
| 53 | T | 94.2 | Very high | 91.2 | Very high | 13 Ų | 13 | 66.2 Ų | 66.2 | 8% | 0.08 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 127.1 | 173 | -53.1 | 0 | 0 | 0 | 0 | 109 | N49 I50 A51 F55 V68 K70 | N49-T53 WeakPolarHBondContact CA-O 3.41Å; I50-T53 PolarHBondContact N-O 2.93Å; I50-T53 WeakPolarHBondContact O-CA 3.47Å; I50-T53 WeakPolarHBondContact O-CB 3.31Å; I50-T53 PolarHBondContact O-N 3.07Å; A51-T53 PolarHBondContact O-N 3.19Å; A51-T53 VanDerWaalsContact O-N 3.16Å; T53-F55 HydrophobicContact CG2-CD2 4.43Å; T53-F55 HydrophobicContact CG2-CE2 3.71Å; T53-F55 HydrophobicContact CG2-CZ 3.82Å; T53-F55 WeakPolarHBondContact O-CD2 3.43Å; T53-F55 WeakPolarHBondContact O-CE2 3.33Å; T53-V68 HydrophobicContact CG2-CG1 3.44Å; T53-V68 VanDerWaalsContact CG2-CG1 3.44Å; T53-K70 HydrophobicContact CG2-CG 4.07Å; T53-K70 WeakPolarHBondContact OG1-CE 3.17Å |
| 54 | S | 96.1 | Very high | 92.3 | Very high | 26 Ų | 26 | 64.5 Ų | 64.5 | 18% | 0.182 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 130.4 | 179.9 | -65 | 0 | 0 | 0 | 0 | 110.6 | N49 V68 T69 | N49-S54 PolarHBondContact ND2-OG 2.88Å; S54-V68 WeakPolarHBondContact O-CA 3.43Å; S54-T69 PolarHBondContact N-O 3.5Å; S54-T69 PolarHBondContact O-N 2.71Å |
| 55 | F | 96.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 54.5 Ų | 54.5 | 0% | 0.004 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 105.4 | 179.1 | -64.8 | -94.6 | 0 | 0 | 0 | 109.4 | A28 A31 F32 V47 T48 I50 T53 V68 | A28-F55 HydrophobicContact CB-CE1 4.34Å; A28-F55 HydrophobicContact CB-CZ 4.19Å; A28-F55 VanDerWaalsContact O-CE1 3.24Å; A28-F55 WeakPolarHBondContact O-CE1 3.39Å; A28-F55 WeakPolarHBondContact O-CZ 3.42Å; A31-F55 HydrophobicContact CB-CZ 4.3Å; F32-F55 HydrophobicContact CB-CD1 3.81Å; F32-F55 HydrophobicContact CB-CE1 3.79Å; F32-F55 HydrophobicContact CD2-CB 3.91Å; F32-F55 AromaticContact CD2-CD1 3.59Å; F32-F55 HydrophobicContact CD2-CD1 3.59Å; F32-F55 HydrophobicContact CD2-CE1 4.42Å; F32-F55 AromaticContact CD2-CG 3.95Å; F32-F55 HydrophobicContact CD2-CG 3.95Å; F32-F55 HydrophobicContact CE2-CB 4.21Å; F32-F55 HydrophobicContact CG-CD1 4.04Å; V47-F55 WeakPolarHBondContact CA-O 3.44Å; T48-F55 PolarHBondContact N-O 3.2Å; T48-F55 PolarHBondContact O-N 2.93Å; I50-F55 HydrophobicContact CB-CD2 4.32Å; I50-F55 HydrophobicContact CB-CE2 3.89Å; I50-F55 HydrophobicContact CD1-CD2 3.95Å; I50-F55 HydrophobicContact CD1-CE2 3.91Å; I50-F55 HydrophobicContact CG1-CD2 4.06Å; I50-F55 HydrophobicContact CG1-CE2 4.07Å; T53-F55 HydrophobicContact CG2-CD2 4.43Å; T53-F55 HydrophobicContact CG2-CE2 3.71Å; T53-F55 HydrophobicContact CG2-CZ 3.82Å; T53-F55 WeakPolarHBondContact O-CD2 3.43Å; T53-F55 WeakPolarHBondContact O-CE2 3.33Å; F55-V68 HydrophobicContact CD1-CB 4.38Å; F55-V68 HydrophobicContact CD1-CG1 4.09Å; F55-V68 HydrophobicContact CD1-CG2 3.5Å; F55-V68 HydrophobicContact CE1-CB 4.35Å; F55-V68 HydrophobicContact CE1-CG1 3.73Å; F55-V68 HydrophobicContact CE1-CG2 3.62Å; F55-V68 HydrophobicContact CZ-CG1 4.08Å |
| 56 | F | 97.5 | Very high | 93.6 | Very high | 11 Ų | 11 | 52 Ų | 52 | 5% | 0.048 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 122.2 | 171.9 | -57.2 | -91.7 | 0 | 0 | 0 | 107.7 | V47 A66 A67 T69 V73 A75 V78 F79 L82 | V47-F56 HydrophobicContact CB-CD1 4.46Å; V47-F56 HydrophobicContact CG1-CD1 4.09Å; V47-F56 HydrophobicContact CG1-CE1 3.82Å; V47-F56 HydrophobicContact CG1-CZ 4.31Å; V47-F56 HydrophobicContact CG2-CD1 3.63Å; V47-F56 HydrophobicContact CG2-CE1 3.85Å; F56-A66 CarbonylContact O-C 3.5Å; F56-A66 VanDerWaalsContact O-CA 3.29Å; F56-A66 WeakPolarHBondContact O-CA 3.35Å; F56-A67 HydrophobicContact CB-CB 4.35Å; F56-A67 PolarHBondContact N-O 3.5Å; F56-A67 PolarHBondContact O-N 3.41Å; F56-T69 HydrophobicContact CD2-CG2 4.34Å; F56-T69 HydrophobicContact CE2-CG2 3.65Å; F56-V73 HydrophobicContact CE2-CG2 3.93Å; F56-V73 HydrophobicContact CZ-CG2 3.97Å; F56-A75 HydrophobicContact CD1-CB 4.25Å; F56-A75 HydrophobicContact CE1-CB 3.49Å; F56-A75 VanDerWaalsContact CE1-CB 3.49Å; F56-A75 HydrophobicContact CZ-CB 4.31Å; F56-V78 HydrophobicContact CB-CG1 3.64Å; F56-V78 HydrophobicContact CD1-CB 4.37Å; F56-V78 HydrophobicContact CD1-CG1 4.32Å; F56-V78 HydrophobicContact CD2-CG1 3.98Å; F56-V78 HydrophobicContact CG-CB 4.22Å; F56-V78 HydrophobicContact CG-CG1 3.71Å; F56-F79 HydrophobicContact CB-CE1 4.41Å; F56-F79 HydrophobicContact CB-CZ 4.22Å; F56-F79 HydrophobicContact CD1-CD2 4.45Å; F56-F79 AromaticContact CD1-CE2 3.8Å; F56-F79 HydrophobicContact CD1-CE2 3.8Å; F56-F79 HydrophobicContact CD1-CZ 4.05Å; F56-L82 HydrophobicContact CB-CD1 4.4Å |
| 57 | H | 95.6 | Very high | 93.8 | Very high | 7 Ų | 7 | 48.7 Ų | 48.7 | 3% | 0.032 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 145.5 | -175.9 | 63.4 | -86.8 | 0 | 0 | 0 | 113.4 | F32 V43 S45 P46 W64 L65 A66 | F32-H57 HydrophobicContact CE2-CB 3.78Å; F32-H57 AromaticContact CE2-CG 3.69Å; F32-H57 AromaticContact CE2-ND1 3.65Å; F32-H57 HydrophobicContact CZ-CB 3.56Å; F32-H57 AromaticContact CZ-CG 3.69Å; V43-H57 WeakPolarHBondContact CG1-NE2 3.39Å; S45-H57 PolarHBondContact O-CE1 2.85Å; S45-H57 PolarHBondContact O-NE2 3.23Å; P46-H57 PolarHBondContact O-N 3.43Å; P46-H57 PolarHBondContact O-ND1 3.29Å; H57-W64 AromaticContact CD2-CE3 3.88Å; H57-W64 AromaticContact CD2-CZ3 3.62Å; H57-L65 CarbonylContact C-O 3.56Å; H57-L65 WeakPolarHBondContact CA-O 3.29Å; H57-L65 WeakPolarHBondContact CB-O 3.37Å; H57-A66 HydrophobicContact CB-CB 4.17Å |
| 58 | V | 95.4 | Very high | 93.8 | Very high | 9 Ų | 9 | 46.3 Ų | 46.3 | 6% | 0.055 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 148.5 | 175.2 | -61.1 | 0 | 0 | 0 | 0 | 109.1 | W64 L65 F79 L82 Y83 | V58-W64 WeakPolarHBondContact O-CA 3.32Å; V58-L65 HydrophobicContact CG2-CB 3.86Å; V58-L65 HydrophobicContact CG2-CD1 4.31Å; V58-L65 PolarHBondContact N-O 2.78Å; V58-L65 PolarHBondContact O-N 2.92Å; V58-F79 HydrophobicContact CG1-CD1 3.76Å; V58-F79 HydrophobicContact CG1-CE1 3.97Å; V58-L82 HydrophobicContact CG1-CB 4.44Å; V58-L82 HydrophobicContact CG1-CD1 4.24Å; V58-L82 HydrophobicContact CG2-CB 4.15Å; V58-L82 HydrophobicContact CG2-CD1 4.42Å; V58-Y83 HydrophobicContact CB-CE1 4.28Å; V58-Y83 HydrophobicContact CG1-CD1 4.33Å; V58-Y83 HydrophobicContact CG1-CE1 3.64Å |
| 59 | K | 92 | Very high | 94 | Very high | 106 Ų | 106 | 44.7 Ų | 44.7 | 46% | 0.461 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 126.3 | 175.9 | -165.2 | -179.3 | -174.1 | 177.4 | 0 | 109.8 | S61 I63 W64 | K59-S61 WeakPolarHBondContact CE-O 3.5Å; K59-I63 WeakPolarHBondContact CA-O 3.21Å; K59-W64 HydrophobicContact CB-CD2 4.32Å; K59-W64 HydrophobicContact CB-CE3 4.06Å; K59-W64 HydrophobicContact CB-CZ3 4.21Å; K59-W64 HydrophobicContact CD-CD2 4.24Å; K59-W64 HydrophobicContact CD-CE3 4.47Å; K59-W64 HydrophobicContact CD-CH2 3.91Å; K59-W64 HydrophobicContact CD-CZ2 3.63Å; K59-W64 HydrophobicContact CD-CZ3 4.32Å; K59-W64 HydrophobicContact CG-CD2 4.05Å; K59-W64 HydrophobicContact CG-CE3 4.27Å; K59-W64 HydrophobicContact CG-CZ2 4.35Å |
| 60 | R | 89.9 | Confident | 94.1 | Very high | 93 Ų | 93 | 45 Ų | 45 | 35% | 0.351 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 105.3 | 172.8 | -69.3 | -63.3 | -174.4 | -121.3 | 8 | 108.3 | N62 I63 Y83 | R60-N62 PolarHBondContact O-N 3.26Å; R60-N62 VanDerWaalsContact O-N 3.12Å; R60-I63 PolarHBondContact N-O 3.41Å; R60-I63 PolarHBondContact O-N 3.32Å; R60-Y83 VanDerWaalsContact NH2-CE1 3.33Å |
| 61 | S | 87.8 | Confident | 94.2 | Very high | 86 Ų | 86 | 47.8 Ų | 47.8 | 60% | 0.601 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55 | -113.5 | -170.1 | -52.4 | 0 | 0 | 0 | 0 | 111.2 | K59 | K59-S61 WeakPolarHBondContact CE-O 3.5Š|
| 62 | N | 89.9 | Confident | 94.5 | Very high | 103 Ų | 103 | 51.5 Ų | 51.5 | 55% | 0.551 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102 | 7.2 | 179.8 | -70.1 | -15 | 0 | 0 | 0 | 113.1 | N9 H10 R60 | N9-N62 CarbonylContact C-O 3.59Å; H10-N62 HydrophobicContact CB-CB 4.23Å; H10-N62 PolarHBondContact N-O 2.75Å; H10-N62 VanDerWaalsContact N-O 3.14Å; R60-N62 PolarHBondContact O-N 3.26Å; R60-N62 VanDerWaalsContact O-N 3.12Å |
| 63 | I | 95.3 | Very high | 94.8 | Very high | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 135.3 | 179.5 | -57.2 | -57 | 0 | 0 | 0 | 109.5 | I7 Y8 L15 K59 R60 L65 I96 E98 I101 | I7-I63 HydrophobicContact CG2-CG2 3.35Å; Y8-I63 WeakPolarHBondContact O-CA 3.28Å; L15-I63 HydrophobicContact CD1-CD1 3.74Å; K59-I63 WeakPolarHBondContact CA-O 3.21Å; R60-I63 PolarHBondContact N-O 3.41Å; R60-I63 PolarHBondContact O-N 3.32Å; I63-L65 HydrophobicContact CG2-CD1 4.06Å; I63-I96 HydrophobicContact CG1-CG2 4.44Å; I63-I96 HydrophobicContact CG2-CG2 4.43Å; I63-E98 HydrophobicContact CD1-CB 4.11Å; I63-I101 HydrophobicContact CD1-CD1 4.1Å; I63-I101 HydrophobicContact CG1-CD1 4.11Å; I63-I101 HydrophobicContact CG2-CD1 3.84Å |
| 64 | W | 95.4 | Very high | 94.9 | Very high | 25 Ų | 25 | 46 Ų | 46 | 10% | 0.095 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 131.5 | 172.9 | -62 | 86.3 | 0 | 0 | 0 | 109.2 | I7 Y8 I37 V43 H57 V58 K59 | I7-W64 CarbonylContact C-O 3.58Å; I7-W64 VanDerWaalsContact CA-O 3.29Å; I7-W64 WeakPolarHBondContact CA-O 3.38Å; Y8-W64 HydrophobicContact CD2-CB 4.48Å; Y8-W64 PolarHBondContact N-O 3Å; Y8-W64 PolarHBondContact O-N 3.35Å; I37-W64 HydrophobicContact CD1-CG 4.46Å; V43-W64 HydrophobicContact CG2-CH2 4.12Å; H57-W64 AromaticContact CD2-CE3 3.88Å; H57-W64 AromaticContact CD2-CZ3 3.62Å; V58-W64 WeakPolarHBondContact O-CA 3.32Å; K59-W64 HydrophobicContact CB-CD2 4.32Å; K59-W64 HydrophobicContact CB-CE3 4.06Å; K59-W64 HydrophobicContact CB-CZ3 4.21Å; K59-W64 HydrophobicContact CD-CD2 4.24Å; K59-W64 HydrophobicContact CD-CE3 4.47Å; K59-W64 HydrophobicContact CD-CH2 3.91Å; K59-W64 HydrophobicContact CD-CZ2 3.63Å; K59-W64 HydrophobicContact CD-CZ3 4.32Å; K59-W64 HydrophobicContact CG-CD2 4.05Å; K59-W64 HydrophobicContact CG-CE3 4.27Å; K59-W64 HydrophobicContact CG-CZ2 4.35Å |
| 65 | L | 96.5 | Very high | 94.9 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 127 | 168.5 | -65 | 82.1 | 0 | 0 | 0 | 106.9 | I7 H57 V58 I63 L82 M85 | I7-L65 HydrophobicContact CG1-CG 4.26Å; I7-L65 HydrophobicContact CG2-CG 4.47Å; H57-L65 CarbonylContact C-O 3.56Å; H57-L65 WeakPolarHBondContact CA-O 3.29Å; H57-L65 WeakPolarHBondContact CB-O 3.37Å; V58-L65 HydrophobicContact CG2-CB 3.86Å; V58-L65 HydrophobicContact CG2-CD1 4.31Å; V58-L65 PolarHBondContact N-O 2.78Å; V58-L65 PolarHBondContact O-N 2.92Å; I63-L65 HydrophobicContact CG2-CD1 4.06Å; L65-L82 HydrophobicContact CB-CD2 4.21Å; L65-M85 HydrophobicContact CD2-CE 4.3Å; L65-M85 HydrophobicContact CD2-SD 4.13Å |
| 66 | A | 96.3 | Very high | 95 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 121.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | L5 F6 Y8 F32 F56 H57 | L5-A66 WeakPolarHBondContact CA-O 3.15Å; F6-A66 PolarHBondContact N-O 2.88Å; F6-A66 PolarHBondContact O-N 3.24Å; Y8-A66 HydrophobicContact CD2-CB 4.5Å; Y8-A66 HydrophobicContact CE2-CB 3.91Å; F32-A66 HydrophobicContact CD1-CB 4.15Å; F32-A66 HydrophobicContact CD2-CB 4.39Å; F32-A66 HydrophobicContact CE1-CB 3.86Å; F32-A66 HydrophobicContact CE2-CB 4.12Å; F32-A66 HydrophobicContact CG-CB 4.4Å; F32-A66 HydrophobicContact CZ-CB 3.85Å; F56-A66 CarbonylContact O-C 3.5Å; F56-A66 VanDerWaalsContact O-CA 3.29Å; F56-A66 WeakPolarHBondContact O-CA 3.35Å; H57-A66 HydrophobicContact CB-CB 4.17Å |
| 67 | A | 97.5 | Very high | 94.9 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.008 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 133.1 | 165 | 0 | 0 | 0 | 0 | 0 | 109.3 | I2 G4 F56 V78 L82 | I2-A67 HydrophobicContact CG2-CB 4.11Å; G4-A67 CarbonylContact O-C 3.59Å; G4-A67 WeakPolarHBondContact O-CA 3.49Å; F56-A67 HydrophobicContact CB-CB 4.35Å; F56-A67 PolarHBondContact N-O 3.5Å; F56-A67 PolarHBondContact O-N 3.41Å; A67-V78 HydrophobicContact CB-CG1 3.55Å; A67-L82 HydrophobicContact CB-CD1 4.21Å; A67-L82 HydrophobicContact CB-CD2 4.16Å; A67-L82 HydrophobicContact CB-CG 4.38Å |
| 68 | V | 97.1 | Very high | 95 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 136.8 | -172.5 | -173.4 | 0 | 0 | 0 | 0 | 109.3 | G3 G4 F6 I24 A28 T53 S54 F55 | G3-V68 WeakPolarHBondContact CA-O 3.49Å; G3-V68 PolarHBondContact N-O 3.14Å; G4-V68 PolarHBondContact N-O 2.94Å; G4-V68 PolarHBondContact O-N 3.09Å; F6-V68 HydrophobicContact CD2-CB 4.48Å; F6-V68 HydrophobicContact CD2-CG2 3.59Å; F6-V68 HydrophobicContact CE2-CB 3.99Å; F6-V68 HydrophobicContact CE2-CG2 3.52Å; I24-V68 HydrophobicContact CD1-CG1 4.04Å; I24-V68 HydrophobicContact CG2-CG1 4.37Å; A28-V68 HydrophobicContact CB-CG1 4.21Å; T53-V68 HydrophobicContact CG2-CG1 3.44Å; T53-V68 VanDerWaalsContact CG2-CG1 3.44Å; S54-V68 WeakPolarHBondContact O-CA 3.43Å; F55-V68 HydrophobicContact CD1-CB 4.38Å; F55-V68 HydrophobicContact CD1-CG1 4.09Å; F55-V68 HydrophobicContact CD1-CG2 3.5Å; F55-V68 HydrophobicContact CE1-CB 4.35Å; F55-V68 HydrophobicContact CE1-CG1 3.73Å; F55-V68 HydrophobicContact CE1-CG2 3.62Å; F55-V68 HydrophobicContact CZ-CG1 4.08Å |
| 69 | T | 96.5 | Very high | 95.1 | Very high | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.012 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 147.7 | 175.6 | -174.8 | 0 | 0 | 0 | 0 | 110.6 | M1 S54 F56 Q71 V73 | M1-T69 PolarHBondContact O-OG1 3.2Å; S54-T69 PolarHBondContact N-O 3.5Å; S54-T69 PolarHBondContact O-N 2.71Å; F56-T69 HydrophobicContact CD2-CG2 4.34Å; F56-T69 HydrophobicContact CE2-CG2 3.65Å; T69-Q71 PolarHBondContact OG1-N 3.1Å; T69-Q71 VanDerWaalsContact OG1-N 3.1Å; T69-V73 HydrophobicContact CG2-CG1 4.29Å; T69-V73 HydrophobicContact CG2-CG2 3.72Å |
| 70 | K | 95.6 | Very high | 95.3 | Very high | 108 Ų | 108 | 53 Ų | 53 | 47% | 0.47 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -96.5 | -3.3 | 168.8 | -67.8 | 175.7 | 174.5 | 172 | 0 | 112.5 | D23 I24 T53 | D23-K70 HydrophobicContact CB-CD 4.38Å; D23-K70 VanDerWaalsContact O-CE 3.3Å; D23-K70 WeakPolarHBondContact O-CE 3.35Å; D23-K70 PolarHBondContact O-NZ 3.45Å; I24-K70 HydrophobicContact CD1-CD 4.5Å; I24-K70 HydrophobicContact CD1-CG 4.2Å; T53-K70 HydrophobicContact CG2-CG 4.07Å; T53-K70 WeakPolarHBondContact OG1-CE 3.17Å |
| 71 | Q | 94.9 | Very high | 95.6 | Very high | 89 Ų | 89 | 49 Ų | 49 | 42% | 0.416 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -92.4 | 156.7 | -178.1 | -60.8 | -170.8 | -18 | 0 | 0 | 111.4 | T69 V73 | T69-Q71 PolarHBondContact OG1-N 3.1Å; T69-Q71 VanDerWaalsContact OG1-N 3.1Å; Q71-V73 HydrophobicContact CB-CG1 4.13Å; Q71-V73 PolarHBondContact O-N 2.85Å; Q71-V73 VanDerWaalsContact O-N 3.11Å |
| 72 | N | 95.1 | Very high | 96 | Very high | 172 Ų | 172 | 45 Ų | 45 | 92% | 0.92 | 24% | 0.238 | S | C | * | . | trans | -79.3 | 89.9 | 171.4 | -172.7 | 11.6 | 0 | 0 | 0 | 109.7 | ||||
| 73 | V | 96.1 | Very high | 96.3 | Very high | 18 Ų | 18 | 44 Ų | 44 | 11% | 0.109 | 23% | 0.227 | C | C | . | . | trans | -102.3 | 158.3 | -179.1 | -59.2 | 0 | 0 | 0 | 0 | 111.6 | M1 F56 T69 Q71 A75 V78 | M1-V73 VanDerWaalsContact N-CG1 3.28Å; F56-V73 HydrophobicContact CE2-CG2 3.93Å; F56-V73 HydrophobicContact CZ-CG2 3.97Å; T69-V73 HydrophobicContact CG2-CG1 4.29Å; T69-V73 HydrophobicContact CG2-CG2 3.72Å; Q71-V73 HydrophobicContact CB-CG1 4.13Å; Q71-V73 PolarHBondContact O-N 2.85Å; Q71-V73 VanDerWaalsContact O-N 3.11Å; V73-A75 PolarHBondContact O-N 2.93Å; V73-V78 HydrophobicContact CG2-CG2 3.73Å | ||
| 74 | N | 97 | Very high | 96.3 | Very high | 103 Ų | 103 | 48.6 Ų | 48.6 | 55% | 0.551 | 25% | 0.247 | S | C | * | . | trans | -65.5 | 107.7 | 169.6 | -174.9 | -32.7 | 0 | 0 | 0 | 110 | A76 M77 V78 | N74-A76 VanDerWaalsContact C-N 3.28Å; N74-A76 PolarHBondContact O-N 3.42Å; N74-A76 WeakPolarHBondContact OD1-CB 3.24Å; N74-A76 PolarHBondContact OD1-N 3.49Å; N74-M77 HydrophobicContact CB-CB 4.1Å; N74-M77 WeakPolarHBondContact O-CB 3.38Å; N74-M77 PolarHBondContact O-N 3.34Å; N74-M77 PolarHBondContact OD1-N 2.88Å; N74-V78 PolarHBondContact O-N 3.06Å | ||
| 75 | A | 96.6 | Very high | 96.3 | Very high | 38 Ų | 38 | 47.5 Ų | 47.5 | 31% | 0.314 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -56.9 | -39.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | F56 V73 M77 V78 F79 | F56-A75 HydrophobicContact CD1-CB 4.25Å; F56-A75 HydrophobicContact CE1-CB 3.49Å; F56-A75 VanDerWaalsContact CE1-CB 3.49Å; F56-A75 HydrophobicContact CZ-CB 4.31Å; V73-A75 PolarHBondContact O-N 2.93Å; A75-M77 PolarHBondContact O-N 3.22Å; A75-V78 PolarHBondContact O-N 3.21Å; A75-F79 WeakPolarHBondContact O-CD2 3.37Å; A75-F79 PolarHBondContact O-N 2.97Å |
| 76 | A | 96.4 | Very high | 96.2 | Very high | 62 Ų | 62 | 47.6 Ų | 47.6 | 51% | 0.512 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.5 | -42 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | N74 V78 F79 E80 | N74-A76 VanDerWaalsContact C-N 3.28Å; N74-A76 PolarHBondContact O-N 3.42Å; N74-A76 WeakPolarHBondContact OD1-CB 3.24Å; N74-A76 PolarHBondContact OD1-N 3.49Å; A76-V78 VanDerWaalsContact C-N 3.3Å; A76-V78 PolarHBondContact O-N 3.39Å; A76-F79 PolarHBondContact O-N 2.95Å; A76-E80 PolarHBondContact O-N 2.86Å |
| 77 | M | 96.1 | Very high | 96.1 | Very high | 62 Ų | 62 | 51.9 Ų | 51.9 | 31% | 0.305 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.2 | -41.3 | 174.3 | 178.2 | -164.4 | 72.8 | 0 | 0 | 111.8 | M1 N74 A75 E80 F81 | M1-M77 HydrophobicContact CE-CE 3.54Å; M1-M77 HydrophobicContact CE-SD 3.92Å; M1-M77 HydrophobicContact SD-CE 4Å; N74-M77 HydrophobicContact CB-CB 4.1Å; N74-M77 WeakPolarHBondContact O-CB 3.38Å; N74-M77 PolarHBondContact O-N 3.34Å; N74-M77 PolarHBondContact OD1-N 2.88Å; A75-M77 PolarHBondContact O-N 3.22Å; M77-E80 PolarHBondContact O-N 3.2Å; M77-F81 WeakPolarHBondContact O-CB 3.19Å; M77-F81 PolarHBondContact O-N 3.42Å |
| 78 | V | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.9 | -42.8 | 177.7 | -179.9 | 0 | 0 | 0 | 0 | 111.2 | I2 F56 A67 V73 N74 A75 A76 F81 L82 | I2-V78 HydrophobicContact CD1-CG1 4.15Å; I2-V78 HydrophobicContact CD1-CG2 4.2Å; I2-V78 HydrophobicContact CG1-CG1 4.44Å; I2-V78 HydrophobicContact CG1-CG2 4.02Å; F56-V78 HydrophobicContact CB-CG1 3.64Å; F56-V78 HydrophobicContact CD1-CB 4.37Å; F56-V78 HydrophobicContact CD1-CG1 4.32Å; F56-V78 HydrophobicContact CD2-CG1 3.98Å; F56-V78 HydrophobicContact CG-CB 4.22Å; F56-V78 HydrophobicContact CG-CG1 3.71Å; A67-V78 HydrophobicContact CB-CG1 3.55Å; V73-V78 HydrophobicContact CG2-CG2 3.73Å; N74-V78 PolarHBondContact O-N 3.06Å; A75-V78 PolarHBondContact O-N 3.21Å; A76-V78 VanDerWaalsContact C-N 3.3Å; A76-V78 PolarHBondContact O-N 3.39Å; V78-F81 PolarHBondContact O-N 3.15Å; V78-L82 HydrophobicContact CG1-CD1 4.28Å; V78-L82 WeakPolarHBondContact O-CG 3.47Å; V78-L82 PolarHBondContact O-N 3.35Å |
| 79 | F | 97.7 | Very high | 95.7 | Very high | 30 Ų | 30 | 52.2 Ų | 52.2 | 13% | 0.132 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.7 | -42 | 177.5 | -76.2 | -65.3 | 0 | 0 | 0 | 113 | P46 V47 F56 V58 A75 A76 F81 L82 Y83 | P46-F79 HydrophobicContact CB-CE1 3.98Å; P46-F79 HydrophobicContact CB-CZ 3.77Å; P46-F79 HydrophobicContact CG-CZ 4.15Å; V47-F79 HydrophobicContact CG2-CE2 3.54Å; V47-F79 HydrophobicContact CG2-CZ 3.58Å; F56-F79 HydrophobicContact CB-CE1 4.41Å; F56-F79 HydrophobicContact CB-CZ 4.22Å; F56-F79 HydrophobicContact CD1-CD2 4.45Å; F56-F79 AromaticContact CD1-CE2 3.8Å; F56-F79 HydrophobicContact CD1-CE2 3.8Å; F56-F79 HydrophobicContact CD1-CZ 4.05Å; V58-F79 HydrophobicContact CG1-CD1 3.76Å; V58-F79 HydrophobicContact CG1-CE1 3.97Å; A75-F79 WeakPolarHBondContact O-CD2 3.37Å; A75-F79 PolarHBondContact O-N 2.97Å; A76-F79 PolarHBondContact O-N 2.95Å; F79-F81 VanDerWaalsContact C-N 3.29Å; F79-F81 PolarHBondContact O-N 2.97Å; F79-L82 HydrophobicContact CD1-CD1 4.33Å; F79-L82 PolarHBondContact O-N 2.91Å; F79-Y83 HydrophobicContact CB-CE2 4.08Å; F79-Y83 WeakPolarHBondContact O-CD2 3.08Å; F79-Y83 VanDerWaalsContact O-CG 3.29Å; F79-Y83 PolarHBondContact O-N 2.67Å |
| 80 | E | 95.2 | Very high | 95.6 | Very high | 115 Ų | 115 | 54.1 Ų | 54.1 | 54% | 0.537 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -56.4 | -46.4 | 173.3 | -79 | -58.7 | 136.3 | 0 | 0 | 110.8 | A76 M77 L82 Y83 K84 | A76-E80 PolarHBondContact O-N 2.86Å; M77-E80 PolarHBondContact O-N 3.2Å; E80-L82 PolarHBondContact O-N 2.98Å; E80-Y83 PolarHBondContact O-N 3.42Å; E80-K84 WeakPolarHBondContact O-CB 3.5Å; E80-K84 WeakPolarHBondContact O-CG 3.47Å; E80-K84 PolarHBondContact O-N 2.99Å |
| 81 | F | 96.8 | Very high | 95.3 | Very high | 11 Ų | 11 | 51 Ų | 51 | 5% | 0.048 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.5 | -47.6 | 174.6 | 172.6 | -99.1 | 0 | 0 | 0 | 112.6 | I2 L5 M77 V78 F79 Y83 K84 M85 I115 L116 P121 | I2-F81 HydrophobicContact CD1-CD1 3.91Å; I2-F81 HydrophobicContact CD1-CE1 4.38Å; I2-F81 HydrophobicContact CD1-CG 4.49Å; L5-F81 HydrophobicContact CD1-CD1 4.44Å; L5-F81 HydrophobicContact CD1-CE1 3.57Å; L5-F81 HydrophobicContact CD1-CZ 4.42Å; M77-F81 WeakPolarHBondContact O-CB 3.19Å; M77-F81 PolarHBondContact O-N 3.42Å; V78-F81 PolarHBondContact O-N 3.15Å; F79-F81 VanDerWaalsContact C-N 3.29Å; F79-F81 PolarHBondContact O-N 2.97Å; F81-Y83 VanDerWaalsContact C-N 3.28Å; F81-Y83 PolarHBondContact O-N 3.49Å; F81-K84 PolarHBondContact O-N 2.79Å; F81-M85 HydrophobicContact CE1-SD 4.44Å; F81-M85 WeakPolarHBondContact O-CB 3.4Å; F81-M85 PolarHBondContact O-N 3.44Å; F81-I115 HydrophobicContact CE2-CB 4.48Å; F81-I115 HydrophobicContact CE2-CD1 4.19Å; F81-I115 HydrophobicContact CE2-CG1 3.88Å; F81-I115 HydrophobicContact CZ-CD1 4.28Å; F81-I115 HydrophobicContact CZ-CG1 4.1Å; F81-L116 HydrophobicContact CE1-CD1 4.45Å; F81-L116 HydrophobicContact CE1-CD2 3.7Å; F81-L116 HydrophobicContact CE2-CB 4Å; F81-L116 HydrophobicContact CE2-CD1 4.15Å; F81-L116 HydrophobicContact CE2-CD2 4.45Å; F81-L116 HydrophobicContact CE2-CG 4.44Å; F81-L116 HydrophobicContact CZ-CB 3.73Å; F81-L116 HydrophobicContact CZ-CD1 4.09Å; F81-L116 HydrophobicContact CZ-CD2 3.61Å; F81-L116 HydrophobicContact CZ-CG 4.02Å; F81-P121 HydrophobicContact CB-CG 4.32Å; F81-P121 HydrophobicContact CD2-CB 3.86Å; F81-P121 HydrophobicContact CD2-CG 4.13Å; F81-P121 HydrophobicContact CE2-CB 4.49Å; F81-P121 HydrophobicContact CG-CB 4.47Å; F81-P121 HydrophobicContact CG-CG 4.28Å |
| 82 | L | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.7 | -37.6 | 178.2 | -73.9 | 174.2 | 0 | 0 | 0 | 112.4 | L5 F56 V58 L65 A67 V78 F79 E80 C86 | L5-L82 HydrophobicContact CD1-CD2 3.89Å; F56-L82 HydrophobicContact CB-CD1 4.4Å; V58-L82 HydrophobicContact CG1-CB 4.44Å; V58-L82 HydrophobicContact CG1-CD1 4.24Å; V58-L82 HydrophobicContact CG2-CB 4.15Å; V58-L82 HydrophobicContact CG2-CD1 4.42Å; L65-L82 HydrophobicContact CB-CD2 4.21Å; A67-L82 HydrophobicContact CB-CD1 4.21Å; A67-L82 HydrophobicContact CB-CD2 4.16Å; A67-L82 HydrophobicContact CB-CG 4.38Å; V78-L82 HydrophobicContact CG1-CD1 4.28Å; V78-L82 WeakPolarHBondContact O-CG 3.47Å; V78-L82 PolarHBondContact O-N 3.35Å; F79-L82 HydrophobicContact CD1-CD1 4.33Å; F79-L82 PolarHBondContact O-N 2.91Å; E80-L82 PolarHBondContact O-N 2.98Å; L82-C86 PolarHBondContact O-N 3.2Å; L82-C86 PolarHBondContact O-SG 3.34Å |
| 83 | Y | 95.8 | Very high | 94.9 | Very high | 82 Ų | 82 | 41 Ų | 41 | 32% | 0.322 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -69.6 | -45.1 | 175 | -64.4 | -40.3 | 0 | 0 | 0 | 111.7 | V58 R60 F79 E80 F81 M85 C86 D87 | V58-Y83 HydrophobicContact CB-CE1 4.28Å; V58-Y83 HydrophobicContact CG1-CD1 4.33Å; V58-Y83 HydrophobicContact CG1-CE1 3.64Å; R60-Y83 VanDerWaalsContact NH2-CE1 3.33Å; F79-Y83 HydrophobicContact CB-CE2 4.08Å; F79-Y83 WeakPolarHBondContact O-CD2 3.08Å; F79-Y83 VanDerWaalsContact O-CG 3.29Å; F79-Y83 PolarHBondContact O-N 2.67Å; E80-Y83 PolarHBondContact O-N 3.42Å; F81-Y83 VanDerWaalsContact C-N 3.28Å; F81-Y83 PolarHBondContact O-N 3.49Å; Y83-M85 VanDerWaalsContact C-N 3.34Å; Y83-M85 PolarHBondContact O-N 3.21Å; Y83-C86 WeakPolarHBondContact O-CB 3.41Å; Y83-C86 PolarHBondContact O-N 3.27Å; Y83-C86 VanDerWaalsContact O-N 3.14Å; Y83-D87 PolarHBondContact O-N 3.09Å |
| 84 | K | 94.5 | Very high | 94.7 | Very high | 101 Ų | 101 | 42 Ų | 42 | 44% | 0.439 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.9 | -41.2 | 175.5 | -72.1 | -62.2 | -177.9 | -174 | 0 | 112.7 | E80 F81 C86 D87 V88 | E80-K84 WeakPolarHBondContact O-CB 3.5Å; E80-K84 WeakPolarHBondContact O-CG 3.47Å; E80-K84 PolarHBondContact O-N 2.99Å; F81-K84 PolarHBondContact O-N 2.79Å; K84-C86 VanDerWaalsContact C-N 3.33Å; K84-C86 PolarHBondContact O-N 2.93Å; K84-D87 PolarHBondContact O-N 3.24Å; K84-D87 VanDerWaalsContact O-N 3.13Å; K84-V88 VanDerWaalsContact O-CG2 3.31Å; K84-V88 WeakPolarHBondContact O-CG2 3.45Å; K84-V88 PolarHBondContact O-N 3.04Å |
| 85 | M | 95.3 | Very high | 94.5 | Very high | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.015 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.6 | -44.4 | 173.6 | -180 | -176.3 | 171 | 0 | 0 | 111.6 | L5 I7 L65 F81 Y83 D87 V88 M89 L112 I115 | L5-M85 HydrophobicContact CD1-SD 3.69Å; L5-M85 HydrophobicContact CD2-CE 3.65Å; L5-M85 HydrophobicContact CD2-SD 3.84Å; L5-M85 HydrophobicContact CG-SD 4.43Å; I7-M85 HydrophobicContact CD1-CE 3.75Å; I7-M85 HydrophobicContact CG1-CE 4.48Å; L65-M85 HydrophobicContact CD2-CE 4.3Å; L65-M85 HydrophobicContact CD2-SD 4.13Å; F81-M85 HydrophobicContact CE1-SD 4.44Å; F81-M85 WeakPolarHBondContact O-CB 3.4Å; F81-M85 PolarHBondContact O-N 3.44Å; Y83-M85 VanDerWaalsContact C-N 3.34Å; Y83-M85 PolarHBondContact O-N 3.21Å; M85-D87 VanDerWaalsContact C-N 3.34Å; M85-D87 PolarHBondContact O-N 2.88Å; M85-V88 PolarHBondContact O-N 3.25Å; M85-M89 HydrophobicContact CE-CE 3.22Å; M85-M89 HydrophobicContact CE-SD 4.11Å; M85-M89 HydrophobicContact CG-CE 4.37Å; M85-M89 HydrophobicContact CG-SD 4.44Å; M85-M89 WeakPolarHBondContact O-CB 3.18Å; M85-M89 VanDerWaalsContact O-CG 3.31Å; M85-M89 WeakPolarHBondContact O-CG 3.32Å; M85-M89 PolarHBondContact O-N 2.97Å; M85-L112 HydrophobicContact CE-CD1 4.33Å; M85-L112 HydrophobicContact CE-CD2 3.41Å; M85-L112 VanDerWaalsContact CE-CD2 3.41Å; M85-L112 HydrophobicContact CE-CG 4.1Å; M85-L112 HydrophobicContact SD-CD2 3.77Å; M85-I115 HydrophobicContact CB-CD1 4.41Å; M85-I115 HydrophobicContact CG-CD1 4.26Å |
| 86 | C | 95.3 | Very high | 94.4 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.014 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.1 | -43.2 | 174.2 | -67.3 | 0 | 0 | 0 | 0 | 111.6 | L82 Y83 K84 M89 A90 I96 | L82-C86 PolarHBondContact O-N 3.2Å; L82-C86 PolarHBondContact O-SG 3.34Å; Y83-C86 WeakPolarHBondContact O-CB 3.41Å; Y83-C86 PolarHBondContact O-N 3.27Å; Y83-C86 VanDerWaalsContact O-N 3.14Å; K84-C86 VanDerWaalsContact C-N 3.33Å; K84-C86 PolarHBondContact O-N 2.93Å; C86-M89 PolarHBondContact O-N 3.07Å; C86-A90 WeakPolarHBondContact O-CB 3.46Å; C86-A90 PolarHBondContact O-N 3.3Å; C86-I96 HydrophobicContact CB-CD1 3.76Å; C86-I96 WeakPolarHBondContact O-CD1 3.24Å |
| 87 | D | 93.3 | Very high | 94.3 | Very high | 91 Ų | 91 | 41.9 Ų | 41.9 | 49% | 0.487 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -66 | -41.3 | -179.6 | -66.6 | -16.8 | 0 | 0 | 0 | 111.6 | Y83 K84 M85 A90 A91 | Y83-D87 PolarHBondContact O-N 3.09Å; K84-D87 PolarHBondContact O-N 3.24Å; K84-D87 VanDerWaalsContact O-N 3.13Å; M85-D87 VanDerWaalsContact C-N 3.34Å; M85-D87 PolarHBondContact O-N 2.88Å; D87-A90 PolarHBondContact O-N 3.2Å; D87-A91 WeakPolarHBondContact O-CB 3.2Å; D87-A91 PolarHBondContact O-N 3.44Å |
| 88 | V | 93.3 | Very high | 94.3 | Very high | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.018 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.1 | -51.2 | 174.3 | 171.5 | 0 | 0 | 0 | 0 | 110.1 | K84 M85 A90 A91 Y92 L111 S124 L129 | K84-V88 VanDerWaalsContact O-CG2 3.31Å; K84-V88 WeakPolarHBondContact O-CG2 3.45Å; K84-V88 PolarHBondContact O-N 3.04Å; M85-V88 PolarHBondContact O-N 3.25Å; V88-A90 VanDerWaalsContact C-N 3.28Å; V88-A90 PolarHBondContact O-N 3.13Å; V88-A91 WeakPolarHBondContact O-CB 3.46Å; V88-A91 PolarHBondContact O-N 3.49Å; V88-Y92 HydrophobicContact CG1-CD2 3.93Å; V88-Y92 HydrophobicContact CG1-CE2 3.98Å; V88-Y92 WeakPolarHBondContact O-CD2 3.41Å; V88-Y92 PolarHBondContact O-N 3.45Å; V88-L111 HydrophobicContact CG1-CD1 4.3Å; V88-L111 HydrophobicContact CG1-CD2 4.06Å; V88-S124 WeakPolarHBondContact CG2-O 3.46Å; V88-L129 HydrophobicContact CG1-CD1 3.95Å; V88-L129 HydrophobicContact CG2-CD1 4.31Å |
| 89 | M | 93.9 | Very high | 94.1 | Very high | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.02 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -53.3 | -47.3 | 175.1 | -79.7 | -179.5 | 166.1 | 0 | 0 | 112 | I7 M85 C86 A91 Y92 F93 I96 I108 | I7-M89 HydrophobicContact CD1-CE 3.77Å; M85-M89 HydrophobicContact CE-CE 3.22Å; M85-M89 HydrophobicContact CE-SD 4.11Å; M85-M89 HydrophobicContact CG-CE 4.37Å; M85-M89 HydrophobicContact CG-SD 4.44Å; M85-M89 WeakPolarHBondContact O-CB 3.18Å; M85-M89 VanDerWaalsContact O-CG 3.31Å; M85-M89 WeakPolarHBondContact O-CG 3.32Å; M85-M89 PolarHBondContact O-N 2.97Å; C86-M89 PolarHBondContact O-N 3.07Å; M89-A91 VanDerWaalsContact C-N 3.28Å; M89-A91 PolarHBondContact O-N 3.34Å; M89-Y92 PolarHBondContact O-N 3.22Å; M89-Y92 VanDerWaalsContact O-N 3.16Å; M89-F93 HydrophobicContact CB-CE1 3.86Å; M89-F93 HydrophobicContact CB-CE2 4.12Å; M89-F93 HydrophobicContact CB-CZ 3.43Å; M89-F93 VanDerWaalsContact CB-CZ 3.43Å; M89-F93 HydrophobicContact CG-CE1 3.92Å; M89-F93 HydrophobicContact CG-CZ 3.63Å; M89-F93 WeakPolarHBondContact O-CD1 3.3Å; M89-F93 WeakPolarHBondContact O-CG 3.49Å; M89-F93 PolarHBondContact O-N 2.99Å; M89-F93 HydrophobicContact SD-CZ 4.17Å; M89-I96 HydrophobicContact CB-CD1 4.18Å; M89-I96 HydrophobicContact CB-CG1 4.28Å; M89-I108 HydrophobicContact CE-CB 4.32Å; M89-I108 HydrophobicContact CE-CD1 4.12Å; M89-I108 HydrophobicContact CE-CG1 3.94Å; M89-I108 HydrophobicContact CE-CG2 3.49Å; M89-I108 VanDerWaalsContact CE-CG2 3.49Å |
| 90 | A | 93 | Very high | 94 | Very high | 42 Ų | 42 | 48 Ų | 48 | 35% | 0.347 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.4 | -32.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | C86 D87 V88 Y92 G94 | C86-A90 WeakPolarHBondContact O-CB 3.46Å; C86-A90 PolarHBondContact O-N 3.3Å; D87-A90 PolarHBondContact O-N 3.2Å; V88-A90 VanDerWaalsContact C-N 3.28Å; V88-A90 PolarHBondContact O-N 3.13Å; A90-Y92 VanDerWaalsContact C-N 3.35Å; A90-G94 WeakPolarHBondContact CA-O 3.44Å; A90-G94 WeakPolarHBondContact CB-O 3.16Å; A90-G94 WeakPolarHBondContact O-CA 3.44Å; A90-G94 PolarHBondContact O-N 2.94Å |
| 91 | A | 90.1 | Very high | 93.9 | Very high | 44 Ų | 44 | 42.5 Ų | 42.5 | 36% | 0.364 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -72.4 | -26.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | D87 V88 M89 T126 K130 | D87-A91 WeakPolarHBondContact O-CB 3.2Å; D87-A91 PolarHBondContact O-N 3.44Å; V88-A91 WeakPolarHBondContact O-CB 3.46Å; V88-A91 PolarHBondContact O-N 3.49Å; M89-A91 VanDerWaalsContact C-N 3.28Å; M89-A91 PolarHBondContact O-N 3.34Å; A91-T126 HydrophobicContact CB-CG2 3.62Å; A91-K130 WeakPolarHBondContact O-CE 3.33Å; A91-K130 PolarHBondContact O-NZ 2.83Å |
| 92 | Y | 90.9 | Very high | 93.8 | Very high | 22 Ų | 22 | 47.4 Ų | 47.4 | 9% | 0.086 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -82.8 | -48.2 | 176.8 | -91.2 | -90.8 | 0 | 0 | 0 | 113.4 | V88 M89 A90 L107 L111 T126 L129 K130 I133 Q135 | V88-Y92 HydrophobicContact CG1-CD2 3.93Å; V88-Y92 HydrophobicContact CG1-CE2 3.98Å; V88-Y92 WeakPolarHBondContact O-CD2 3.41Å; V88-Y92 PolarHBondContact O-N 3.45Å; M89-Y92 PolarHBondContact O-N 3.22Å; M89-Y92 VanDerWaalsContact O-N 3.16Å; A90-Y92 VanDerWaalsContact C-N 3.35Å; Y92-L107 HydrophobicContact CD1-CD1 4.04Å; Y92-L107 HydrophobicContact CD1-CD2 3.92Å; Y92-L107 HydrophobicContact CE1-CD1 4.01Å; Y92-L107 HydrophobicContact CG-CD2 4.27Å; Y92-L111 HydrophobicContact CD2-CD1 4.12Å; Y92-L111 HydrophobicContact CD2-CD2 4.27Å; Y92-L111 HydrophobicContact CE2-CD1 4.34Å; Y92-L111 HydrophobicContact CE2-CD2 3.67Å; Y92-L111 HydrophobicContact CG-CD1 4.38Å; Y92-T126 HydrophobicContact CD2-CG2 4.31Å; Y92-T126 HydrophobicContact CE2-CG2 4.09Å; Y92-L129 HydrophobicContact CE2-CB 4.36Å; Y92-L129 WeakPolarHBondContact OH-CB 3.28Å; Y92-L129 PolarHBondContact OH-O 3.45Å; Y92-L129 VanDerWaalsContact OH-O 3.1Å; Y92-K130 HydrophobicContact CD1-CG 4.46Å; Y92-K130 HydrophobicContact CE1-CG 3.78Å; Y92-K130 HydrophobicContact CE2-CG 3.83Å; Y92-K130 VanDerWaalsContact CZ-CG 3.43Å; Y92-K130 VanDerWaalsContact OH-CA 3.25Å; Y92-K130 WeakPolarHBondContact OH-CA 3.27Å; Y92-K130 WeakPolarHBondContact OH-CG 3.29Å; Y92-K130 PolarHBondContact OH-N 2.99Å; Y92-K130 VanDerWaalsContact OH-N 3.08Å; Y92-I133 HydrophobicContact CE1-CG2 4.28Å; Y92-I133 VanDerWaalsContact CE1-O 3.32Å; Y92-I133 WeakPolarHBondContact CE1-O 3.21Å; Y92-I133 PolarHBondContact OH-O 3.33Å; Y92-I133 VanDerWaalsContact OH-O 3.05Å; Y92-Q135 PolarHBondContact O-NE2 3.34Å |
| 93 | F | 91.8 | Very high | 93.6 | Very high | 28 Ų | 28 | 52.8 Ų | 52.8 | 12% | 0.123 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -132.5 | 13.8 | -172.2 | 54.8 | -103.6 | 0 | 0 | 0 | 114.1 | M89 K95 I96 N100 N104 L107 I108 | M89-F93 HydrophobicContact CB-CE1 3.86Å; M89-F93 HydrophobicContact CB-CE2 4.12Å; M89-F93 HydrophobicContact CB-CZ 3.43Å; M89-F93 VanDerWaalsContact CB-CZ 3.43Å; M89-F93 HydrophobicContact CG-CE1 3.92Å; M89-F93 HydrophobicContact CG-CZ 3.63Å; M89-F93 WeakPolarHBondContact O-CD1 3.3Å; M89-F93 WeakPolarHBondContact O-CG 3.49Å; M89-F93 PolarHBondContact O-N 2.99Å; M89-F93 HydrophobicContact SD-CZ 4.17Å; F93-K95 PolarHBondContact O-N 3.42Å; F93-I96 HydrophobicContact CE2-CG1 4.48Å; F93-N100 HydrophobicContact CD2-CB 3.87Å; F93-N100 HydrophobicContact CE2-CB 4.17Å; F93-N104 HydrophobicContact CD1-CB 4.1Å; F93-N104 HydrophobicContact CE1-CB 4.36Å; F93-L107 HydrophobicContact CD1-CD2 4.16Å; F93-I108 HydrophobicContact CE1-CD1 4.21Å; F93-I108 HydrophobicContact CE1-CG1 4.07Å; F93-I108 HydrophobicContact CZ-CD1 4.15Å; F93-I108 HydrophobicContact CZ-CG1 4.44Å |
| 94 | G | 91.8 | Very high | 93.6 | Very high | 38 Ų | 38 | 50.3 Ų | 50.3 | 39% | 0.392 | 27% | 0.266 | S | S | . | . | S | Bend | trans | 78.1 | -116.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | A90 I96 | A90-G94 WeakPolarHBondContact CA-O 3.44Å; A90-G94 WeakPolarHBondContact CB-O 3.16Å; A90-G94 WeakPolarHBondContact O-CA 3.44Å; A90-G94 PolarHBondContact O-N 2.94Å; G94-I96 PolarHBondContact O-N 3.36Å |
| 95 | K | 92.5 | Very high | 93.5 | Very high | 153 Ų | 153 | 50.1 Ų | 50.1 | 67% | 0.665 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -69.4 | 132.8 | -174.1 | -172.8 | 179.2 | 178 | -175.7 | 0 | 110.5 | F93 S97 N100 | F93-K95 PolarHBondContact O-N 3.42Å; K95-S97 PolarHBondContact O-N 3.08Å; K95-N100 PolarHBondContact O-ND2 2.74Å |
| 96 | I | 93.8 | Very high | 93.4 | Very high | 20 Ų | 20 | 55.5 Ų | 55.5 | 10% | 0.103 | 30% | 0.298 | C | S | . | . | trans | -81.5 | 100.1 | 171.9 | -52.7 | 175 | 0 | 0 | 0 | 108.6 | I63 C86 M89 F93 G94 I101 | I63-I96 HydrophobicContact CG1-CG2 4.44Å; I63-I96 HydrophobicContact CG2-CG2 4.43Å; C86-I96 HydrophobicContact CB-CD1 3.76Å; C86-I96 WeakPolarHBondContact O-CD1 3.24Å; M89-I96 HydrophobicContact CB-CD1 4.18Å; M89-I96 HydrophobicContact CB-CG1 4.28Å; F93-I96 HydrophobicContact CE2-CG1 4.48Å; G94-I96 PolarHBondContact O-N 3.36Å; I96-I101 HydrophobicContact CG2-CD1 4.06Å; I96-I101 HydrophobicContact CG2-CG1 4.48Å | ||
| 97 | S | 94.9 | Very high | 93.3 | Very high | 28 Ų | 28 | 56 Ų | 56 | 20% | 0.196 | 30% | 0.301 | C | S | . | . | trans | -127.8 | 164.4 | 176.3 | 67 | 0 | 0 | 0 | 0 | 110.3 | K95 E99 N100 I101 | K95-S97 PolarHBondContact O-N 3.08Å; S97-E99 VanDerWaalsContact C-N 3.29Å; S97-E99 PolarHBondContact O-N 3.45Å; S97-N100 PolarHBondContact O-N 2.8Å; S97-N100 WeakPolarHBondContact OG-CB 3.38Å; S97-N100 PolarHBondContact OG-N 2.82Å; S97-I101 WeakPolarHBondContact O-CG1 3.39Å; S97-I101 PolarHBondContact O-N 3.26Å | ||
| 98 | E | 95.3 | Very high | 93.3 | Very high | 53 Ų | 53 | 51.7 Ų | 51.7 | 25% | 0.248 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.1 | -42.7 | 177 | 179.1 | 169.9 | 169 | 0 | 0 | 111.9 | N9 L15 I63 I101 K102 | N9-E98 WeakPolarHBondContact CB-OE2 3.08Å; L15-E98 HydrophobicContact CD1-CB 4.22Å; L15-E98 HydrophobicContact CD1-CG 3.95Å; L15-E98 HydrophobicContact CD2-CG 3.83Å; I63-E98 HydrophobicContact CD1-CB 4.11Å; E98-I101 PolarHBondContact O-N 2.92Å; E98-K102 HydrophobicContact CG-CD 4.33Å; E98-K102 WeakPolarHBondContact O-CG 3.49Å; E98-K102 PolarHBondContact O-N 3.31Å; E98-K102 WeakPolarHBondContact OE1-CE 3.09Å; E98-K102 IonicContact OE1-NZ 3.48Å; E98-K102 PolarHBondContact OE1-NZ 2.92Å |
| 99 | E | 94.1 | Very high | 93.5 | Very high | 130 Ų | 130 | 53.8 Ų | 53.8 | 61% | 0.607 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -59.1 | -49.9 | 175.3 | -179.1 | -176.6 | 176.7 | 0 | 0 | 111.7 | S97 I101 K102 N103 | S97-E99 VanDerWaalsContact C-N 3.29Å; S97-E99 PolarHBondContact O-N 3.45Å; E99-I101 VanDerWaalsContact C-N 3.3Å; E99-I101 PolarHBondContact O-N 3.06Å; E99-K102 PolarHBondContact O-N 3.11Å; E99-N103 WeakPolarHBondContact O-CB 3.36Å; E99-N103 VanDerWaalsContact O-CG 3.25Å; E99-N103 PolarHBondContact O-N 2.92Å |
| 100 | N | 94.4 | Very high | 93.5 | Very high | 37 Ų | 37 | 57.6 Ų | 57.6 | 20% | 0.198 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.9 | -34.5 | -178.4 | -76 | -6.8 | 0 | 0 | 0 | 112.1 | F93 K95 S97 N104 | F93-N100 HydrophobicContact CD2-CB 3.87Å; F93-N100 HydrophobicContact CE2-CB 4.17Å; K95-N100 PolarHBondContact O-ND2 2.74Å; S97-N100 PolarHBondContact O-N 2.8Å; S97-N100 WeakPolarHBondContact OG-CB 3.38Å; S97-N100 PolarHBondContact OG-N 2.82Å; N100-N104 WeakPolarHBondContact O-CB 3.32Å; N100-N104 PolarHBondContact O-N 2.87Å; N100-N104 VanDerWaalsContact O-N 3.1Å; N100-N104 PolarHBondContact O-ND2 3.24Å |
| 101 | I | 94.5 | Very high | 93.6 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.8 | -46.3 | 174.2 | -69.3 | 162.2 | 0 | 0 | 0 | 110.7 | I7 L15 I16 I63 I96 S97 E98 E99 N104 F105 I108 | I7-I101 HydrophobicContact CG2-CD1 3.85Å; L15-I101 HydrophobicContact CB-CG2 3.89Å; L15-I101 HydrophobicContact CD1-CB 4.47Å; L15-I101 HydrophobicContact CD1-CD1 3.92Å; L15-I101 HydrophobicContact CD1-CG2 4.36Å; I16-I101 HydrophobicContact CD1-CG2 4.12Å; I16-I101 HydrophobicContact CG1-CG2 3.7Å; I63-I101 HydrophobicContact CD1-CD1 4.1Å; I63-I101 HydrophobicContact CG1-CD1 4.11Å; I63-I101 HydrophobicContact CG2-CD1 3.84Å; I96-I101 HydrophobicContact CG2-CD1 4.06Å; I96-I101 HydrophobicContact CG2-CG1 4.48Å; S97-I101 WeakPolarHBondContact O-CG1 3.39Å; S97-I101 PolarHBondContact O-N 3.26Å; E98-I101 PolarHBondContact O-N 2.92Å; E99-I101 VanDerWaalsContact C-N 3.3Å; E99-I101 PolarHBondContact O-N 3.06Å; I101-N104 CarbonylContact O-C 3.6Å; I101-N104 PolarHBondContact O-N 3.17Å; I101-F105 PolarHBondContact O-N 3.31Å; I101-I108 HydrophobicContact CB-CD1 4.19Å; I101-I108 HydrophobicContact CG1-CD1 4.22Å; I101-I108 HydrophobicContact CG2-CD1 3.94Å |
| 102 | K | 93.8 | Very high | 93.8 | Very high | 113 Ų | 113 | 53.7 Ų | 53.7 | 49% | 0.491 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 178.9 | -71.7 | 178.5 | -174.4 | 174.6 | 0 | 111.9 | E98 E99 N104 | E98-K102 HydrophobicContact CG-CD 4.33Å; E98-K102 WeakPolarHBondContact O-CG 3.49Å; E98-K102 PolarHBondContact O-N 3.31Å; E98-K102 WeakPolarHBondContact OE1-CE 3.09Å; E98-K102 IonicContact OE1-NZ 3.48Å; E98-K102 PolarHBondContact OE1-NZ 2.92Å; E99-K102 PolarHBondContact O-N 3.11Å; K102-N104 VanDerWaalsContact C-N 3.28Å; K102-N104 PolarHBondContact O-N 3.15Å |
| 103 | N | 94.1 | Very high | 94 | Very high | 113 Ų | 113 | 55.9 Ų | 55.9 | 60% | 0.604 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -70.8 | -22.5 | -178.9 | -67 | -10.8 | 0 | 0 | 0 | 113.2 | E99 | E99-N103 WeakPolarHBondContact O-CB 3.36Å; E99-N103 VanDerWaalsContact O-CG 3.25Å; E99-N103 PolarHBondContact O-N 2.92Å |
| 104 | N | 94.1 | Very high | 94 | Very high | 31 Ų | 31 | 58.6 Ų | 58.6 | 17% | 0.166 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | 25.1 | -178.8 | -64.2 | -87.9 | 0 | 0 | 0 | 112.4 | F93 N100 I101 K102 V106 L107 I108 Q135 | F93-N104 HydrophobicContact CD1-CB 4.1Å; F93-N104 HydrophobicContact CE1-CB 4.36Å; N100-N104 WeakPolarHBondContact O-CB 3.32Å; N100-N104 PolarHBondContact O-N 2.87Å; N100-N104 VanDerWaalsContact O-N 3.1Å; N100-N104 PolarHBondContact O-ND2 3.24Å; I101-N104 CarbonylContact O-C 3.6Å; I101-N104 PolarHBondContact O-N 3.17Å; K102-N104 VanDerWaalsContact C-N 3.28Å; K102-N104 PolarHBondContact O-N 3.15Å; N104-V106 PolarHBondContact O-N 3.14Å; N104-L107 HydrophobicContact CB-CB 4.42Å; N104-L107 HydrophobicContact CB-CD2 4.3Å; N104-L107 WeakPolarHBondContact O-CB 3.45Å; N104-L107 PolarHBondContact O-N 3.23Å; N104-I108 HydrophobicContact CB-CD1 4.37Å; N104-I108 HydrophobicContact CB-CG1 4.47Å; N104-I108 VanDerWaalsContact O-CG1 3.3Å; N104-I108 WeakPolarHBondContact O-CG1 3.31Å; N104-I108 PolarHBondContact O-N 3.39Å; N104-Q135 PolarHBondContact OD1-NE2 2.82Å |
| 105 | F | 93.6 | Very high | 94.2 | Very high | 96 Ų | 96 | 56.9 Ų | 56.9 | 42% | 0.421 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -53.8 | -50.2 | -172.6 | -169.5 | -92.8 | 0 | 0 | 0 | 112.5 | L15 I16 I101 L107 I108 Y109 | L15-F105 WeakPolarHBondContact O-CE2 3.14Å; I16-F105 HydrophobicContact CD1-CD2 3.39Å; I16-F105 HydrophobicContact CD1-CE2 3.59Å; I16-F105 HydrophobicContact CD1-CG 4.17Å; I16-F105 HydrophobicContact CD1-CZ 4.49Å; I101-F105 PolarHBondContact O-N 3.31Å; F105-L107 PolarHBondContact O-N 3.34Å; F105-I108 PolarHBondContact O-N 3.19Å; F105-I108 VanDerWaalsContact O-N 3.15Å; F105-Y109 AromaticContact CD1-CD2 3.65Å; F105-Y109 HydrophobicContact CD1-CD2 3.65Å; F105-Y109 AromaticContact CD1-CE2 3.62Å; F105-Y109 HydrophobicContact CD1-CE2 3.62Å; F105-Y109 HydrophobicContact CD2-CE2 4.01Å; F105-Y109 AromaticContact CE1-CD2 3.55Å; F105-Y109 HydrophobicContact CE1-CD2 3.55Å; F105-Y109 AromaticContact CE1-CE2 3.12Å; F105-Y109 HydrophobicContact CE1-CE2 3.12Å; F105-Y109 AromaticContact CE2-CE2 3.58Å; F105-Y109 HydrophobicContact CE2-CE2 3.58Å; F105-Y109 HydrophobicContact CG-CD2 4.2Å; F105-Y109 HydrophobicContact CG-CE2 4.05Å; F105-Y109 HydrophobicContact CZ-CD2 4.03Å; F105-Y109 AromaticContact CZ-CE2 3.13Å; F105-Y109 HydrophobicContact CZ-CE2 3.13Å; F105-Y109 AromaticContact CZ-CZ 3.78Å; F105-Y109 VanDerWaalsContact O-CD2 3.3Å; F105-Y109 WeakPolarHBondContact O-CD2 3.19Å; F105-Y109 PolarHBondContact O-N 3.19Å; F105-Y109 VanDerWaalsContact O-N 3.11Å |
| 106 | V | 92.8 | Very high | 94.4 | Very high | 116 Ų | 116 | 49.6 Ų | 49.6 | 70% | 0.703 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -57.9 | -50.4 | 179.9 | -179.8 | 0 | 0 | 0 | 0 | 111.5 | N104 I108 Y109 E110 | N104-V106 PolarHBondContact O-N 3.14Å; V106-I108 VanDerWaalsContact C-N 3.27Å; V106-I108 PolarHBondContact O-N 3.43Å; V106-Y109 PolarHBondContact O-N 2.82Å; V106-E110 PolarHBondContact O-N 3.43Å |
| 107 | L | 92.5 | Very high | 94.4 | Very high | 13 Ų | 13 | 53.5 Ų | 53.5 | 7% | 0.068 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56.7 | -41.6 | 176.9 | 173 | 70.4 | 0 | 0 | 0 | 111.8 | Y92 F93 N104 F105 Y109 E110 L111 I133 Q135 | Y92-L107 HydrophobicContact CD1-CD1 4.04Å; Y92-L107 HydrophobicContact CD1-CD2 3.92Å; Y92-L107 HydrophobicContact CE1-CD1 4.01Å; Y92-L107 HydrophobicContact CG-CD2 4.27Å; F93-L107 HydrophobicContact CD1-CD2 4.16Å; N104-L107 HydrophobicContact CB-CB 4.42Å; N104-L107 HydrophobicContact CB-CD2 4.3Å; N104-L107 WeakPolarHBondContact O-CB 3.45Å; N104-L107 PolarHBondContact O-N 3.23Å; F105-L107 PolarHBondContact O-N 3.34Å; L107-Y109 VanDerWaalsContact C-N 3.34Å; L107-E110 PolarHBondContact O-N 3.29Å; L107-L111 HydrophobicContact CD1-CD1 4.14Å; L107-L111 HydrophobicContact CD1-CG 4.15Å; L107-L111 HydrophobicContact CD2-CD1 4.42Å; L107-L111 HydrophobicContact CG-CD1 3.88Å; L107-L111 HydrophobicContact CG-CG 4.3Å; L107-L111 WeakPolarHBondContact O-CB 3.4Å; L107-L111 VanDerWaalsContact O-CG 3.24Å; L107-L111 WeakPolarHBondContact O-CG 3.44Å; L107-L111 PolarHBondContact O-N 2.85Å; L107-I133 HydrophobicContact CD1-CG2 3.37Å; L107-Q135 HydrophobicContact CD1-CG 4.46Å; L107-Q135 HydrophobicContact CD2-CG 3.67Å; L107-Q135 VanDerWaalsContact CD2-NE2 3.31Å |
| 108 | I | 95.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66 | -39.5 | -178.8 | -68 | 169.4 | 0 | 0 | 0 | 110.9 | I16 M89 F93 I101 N104 F105 V106 L112 | I16-I108 HydrophobicContact CD1-CB 4.35Å; I16-I108 HydrophobicContact CD1-CG2 3.97Å; I16-I108 HydrophobicContact CG1-CG2 4.03Å; I16-I108 HydrophobicContact CG2-CG2 4.35Å; M89-I108 HydrophobicContact CE-CB 4.32Å; M89-I108 HydrophobicContact CE-CD1 4.12Å; M89-I108 HydrophobicContact CE-CG1 3.94Å; M89-I108 HydrophobicContact CE-CG2 3.49Å; M89-I108 VanDerWaalsContact CE-CG2 3.49Å; F93-I108 HydrophobicContact CE1-CD1 4.21Å; F93-I108 HydrophobicContact CE1-CG1 4.07Å; F93-I108 HydrophobicContact CZ-CD1 4.15Å; F93-I108 HydrophobicContact CZ-CG1 4.44Å; I101-I108 HydrophobicContact CB-CD1 4.19Å; I101-I108 HydrophobicContact CG1-CD1 4.22Å; I101-I108 HydrophobicContact CG2-CD1 3.94Å; N104-I108 HydrophobicContact CB-CD1 4.37Å; N104-I108 HydrophobicContact CB-CG1 4.47Å; N104-I108 VanDerWaalsContact O-CG1 3.3Å; N104-I108 WeakPolarHBondContact O-CG1 3.31Å; N104-I108 PolarHBondContact O-N 3.39Å; F105-I108 PolarHBondContact O-N 3.19Å; F105-I108 VanDerWaalsContact O-N 3.15Å; V106-I108 VanDerWaalsContact C-N 3.27Å; V106-I108 PolarHBondContact O-N 3.43Å; I108-L112 HydrophobicContact CG2-CD1 4.07Å; I108-L112 HydrophobicContact CG2-CG 4.35Å; I108-L112 VanDerWaalsContact O-CB 3.28Å; I108-L112 WeakPolarHBondContact O-CB 3.5Å; I108-L112 WeakPolarHBondContact O-CG 3.44Å; I108-L112 PolarHBondContact O-N 3.13Å |
| 109 | Y | 95.5 | Very high | 94.3 | Very high | 47 Ų | 47 | 54.8 Ų | 54.8 | 18% | 0.184 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65 | -43.8 | 175.2 | -85.6 | -81.2 | 0 | 0 | 0 | 112.2 | I16 S17 R18 F105 V106 L107 L112 D113 | I16-Y109 HydrophobicContact CD1-CD2 4.29Å; I16-Y109 HydrophobicContact CD1-CE2 3.66Å; I16-Y109 HydrophobicContact CG2-CE2 4.24Å; S17-Y109 PolarHBondContact N-OH 2.81Å; S17-Y109 WeakPolarHBondContact O-CE1 3.31Å; S17-Y109 PolarHBondContact O-OH 2.74Å; R18-Y109 HydrophobicContact CB-CE1 4.47Å; F105-Y109 AromaticContact CD1-CD2 3.65Å; F105-Y109 HydrophobicContact CD1-CD2 3.65Å; F105-Y109 AromaticContact CD1-CE2 3.62Å; F105-Y109 HydrophobicContact CD1-CE2 3.62Å; F105-Y109 HydrophobicContact CD2-CE2 4.01Å; F105-Y109 AromaticContact CE1-CD2 3.55Å; F105-Y109 HydrophobicContact CE1-CD2 3.55Å; F105-Y109 AromaticContact CE1-CE2 3.12Å; F105-Y109 HydrophobicContact CE1-CE2 3.12Å; F105-Y109 AromaticContact CE2-CE2 3.58Å; F105-Y109 HydrophobicContact CE2-CE2 3.58Å; F105-Y109 HydrophobicContact CG-CD2 4.2Å; F105-Y109 HydrophobicContact CG-CE2 4.05Å; F105-Y109 HydrophobicContact CZ-CD2 4.03Å; F105-Y109 AromaticContact CZ-CE2 3.13Å; F105-Y109 HydrophobicContact CZ-CE2 3.13Å; F105-Y109 AromaticContact CZ-CZ 3.78Å; F105-Y109 VanDerWaalsContact O-CD2 3.3Å; F105-Y109 WeakPolarHBondContact O-CD2 3.19Å; F105-Y109 PolarHBondContact O-N 3.19Å; F105-Y109 VanDerWaalsContact O-N 3.11Å; V106-Y109 PolarHBondContact O-N 2.82Å; L107-Y109 VanDerWaalsContact C-N 3.34Å; Y109-L112 PolarHBondContact O-N 2.84Å; Y109-D113 PolarHBondContact O-N 3.47Å |
| 110 | E | 94.3 | Very high | 94.3 | Very high | 84 Ų | 84 | 54.1 Ų | 54.1 | 39% | 0.393 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.2 | -46.8 | 176.3 | -171.6 | 178.1 | -169.1 | 0 | 0 | 111.5 | V106 L107 L112 D113 E114 I133 | V106-E110 PolarHBondContact O-N 3.43Å; L107-E110 PolarHBondContact O-N 3.29Å; E110-L112 VanDerWaalsContact C-N 3.33Å; E110-L112 PolarHBondContact O-N 3.26Å; E110-D113 PolarHBondContact O-N 2.96Å; E110-E114 PolarHBondContact O-N 2.9Å; E110-E114 VanDerWaalsContact O-N 3.09Å; E110-I133 HydrophobicContact CG-CD1 4.22Å; E110-I133 HydrophobicContact CG-CG1 4.1Å; E110-I133 HydrophobicContact CG-CG2 4.2Å |
| 111 | L | 94.9 | Very high | 94.3 | Very high | 4 Ų | 4 | 54.3 Ų | 54.3 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59 | -44.7 | 174.7 | -74.3 | 171.4 | 0 | 0 | 0 | 111.7 | V88 Y92 L107 D113 E114 I115 L129 I133 | V88-L111 HydrophobicContact CG1-CD1 4.3Å; V88-L111 HydrophobicContact CG1-CD2 4.06Å; Y92-L111 HydrophobicContact CD2-CD1 4.12Å; Y92-L111 HydrophobicContact CD2-CD2 4.27Å; Y92-L111 HydrophobicContact CE2-CD1 4.34Å; Y92-L111 HydrophobicContact CE2-CD2 3.67Å; Y92-L111 HydrophobicContact CG-CD1 4.38Å; L107-L111 HydrophobicContact CD1-CD1 4.14Å; L107-L111 HydrophobicContact CD1-CG 4.15Å; L107-L111 HydrophobicContact CD2-CD1 4.42Å; L107-L111 HydrophobicContact CG-CD1 3.88Å; L107-L111 HydrophobicContact CG-CG 4.3Å; L107-L111 WeakPolarHBondContact O-CB 3.4Å; L107-L111 VanDerWaalsContact O-CG 3.24Å; L107-L111 WeakPolarHBondContact O-CG 3.44Å; L107-L111 PolarHBondContact O-N 2.85Å; L111-D113 VanDerWaalsContact C-N 3.34Å; L111-D113 PolarHBondContact O-N 3.26Å; L111-E114 PolarHBondContact O-N 2.77Å; L111-I115 WeakPolarHBondContact O-CG1 3.43Å; L111-I115 WeakPolarHBondContact O-CG2 3.48Å; L111-I115 PolarHBondContact O-N 3.11Å; L111-L129 HydrophobicContact CD2-CD1 4.29Å; L111-I133 HydrophobicContact CD2-CB 4.49Å; L111-I133 HydrophobicContact CD2-CD1 3.86Å; L111-I133 HydrophobicContact CD2-CG2 3.94Å; L111-I133 HydrophobicContact CG-CG2 4.21Å |
| 112 | L | 95.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.3 | -41.6 | -179 | -83.7 | 179.8 | 0 | 0 | 0 | 112.5 | L5 I16 R18 Y20 M85 I108 Y109 E110 E114 L116 | L5-L112 HydrophobicContact CD2-CD1 4.42Å; L5-L112 HydrophobicContact CD2-CD2 4.14Å; I16-L112 HydrophobicContact CG2-CD1 3.79Å; R18-L112 HydrophobicContact CB-CD1 3.92Å; R18-L112 HydrophobicContact CG-CD1 4.35Å; Y20-L112 WeakPolarHBondContact OH-CB 3.45Å; Y20-L112 PolarHBondContact OH-O 2.96Å; M85-L112 HydrophobicContact CE-CD1 4.33Å; M85-L112 HydrophobicContact CE-CD2 3.41Å; M85-L112 VanDerWaalsContact CE-CD2 3.41Å; M85-L112 HydrophobicContact CE-CG 4.1Å; M85-L112 HydrophobicContact SD-CD2 3.77Å; I108-L112 HydrophobicContact CG2-CD1 4.07Å; I108-L112 HydrophobicContact CG2-CG 4.35Å; I108-L112 VanDerWaalsContact O-CB 3.28Å; I108-L112 WeakPolarHBondContact O-CB 3.5Å; I108-L112 WeakPolarHBondContact O-CG 3.44Å; I108-L112 PolarHBondContact O-N 3.13Å; Y109-L112 PolarHBondContact O-N 2.84Å; E110-L112 VanDerWaalsContact C-N 3.33Å; E110-L112 PolarHBondContact O-N 3.26Å; L112-E114 VanDerWaalsContact C-N 3.32Å; L112-L116 PolarHBondContact O-N 3.18Å; L112-L116 VanDerWaalsContact O-N 3.1Å |
| 113 | D | 93.7 | Very high | 93.9 | Very high | 68 Ų | 68 | 56.4 Ų | 56.4 | 36% | 0.364 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -68.8 | -33.8 | 178.9 | -73.4 | -14.1 | 0 | 0 | 0 | 112.1 | R18 Y109 E110 L111 | R18-D113 IonicContact CZ-OD1 2.92Å; R18-D113 IonicContact CZ-OD2 3.29Å; R18-D113 VanDerWaalsContact CZ-OD2 3.29Å; R18-D113 IonicContact NE-OD1 2.7Å; R18-D113 PolarHBondContact NE-OD1 3.04Å; R18-D113 IonicContact NE-OD2 3.83Å; R18-D113 IonicContact NH1-OD2 3.86Å; R18-D113 IonicContact NH2-OD1 2.65Å; R18-D113 PolarHBondContact NH2-OD1 3.12Å; R18-D113 IonicContact NH2-OD2 2.75Å; R18-D113 PolarHBondContact NH2-OD2 2.83Å; Y109-D113 PolarHBondContact O-N 3.47Å; E110-D113 PolarHBondContact O-N 2.96Å; L111-D113 VanDerWaalsContact C-N 3.34Å; L111-D113 PolarHBondContact O-N 3.26Å |
| 114 | E | 93.4 | Very high | 93.7 | Very high | 85 Ų | 85 | 52.4 Ų | 52.4 | 40% | 0.397 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -76 | -43.8 | 177.3 | -170.4 | 63.7 | -154.7 | 0 | 0 | 112.6 | E110 L111 L112 Q122 L129 F132 I133 | E110-E114 PolarHBondContact O-N 2.9Å; E110-E114 VanDerWaalsContact O-N 3.09Å; L111-E114 PolarHBondContact O-N 2.77Å; L112-E114 VanDerWaalsContact C-N 3.32Å; E114-Q122 WeakPolarHBondContact O-CB 3.28Å; E114-L129 HydrophobicContact CB-CD2 4.47Å; E114-L129 HydrophobicContact CG-CD2 3.72Å; E114-F132 HydrophobicContact CG-CE2 3.79Å; E114-F132 HydrophobicContact CG-CZ 4.15Å; E114-I133 HydrophobicContact CB-CD1 3.81Å; E114-I133 HydrophobicContact CG-CD1 4.04Å |
| 115 | I | 95.6 | Very high | 93.3 | Very high | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -86.3 | -9.4 | -173 | 73.1 | -171.6 | 0 | 0 | 0 | 113.5 | F81 M85 L111 Q122 L129 | F81-I115 HydrophobicContact CE2-CB 4.48Å; F81-I115 HydrophobicContact CE2-CD1 4.19Å; F81-I115 HydrophobicContact CE2-CG1 3.88Å; F81-I115 HydrophobicContact CZ-CD1 4.28Å; F81-I115 HydrophobicContact CZ-CG1 4.1Å; M85-I115 HydrophobicContact CB-CD1 4.41Å; M85-I115 HydrophobicContact CG-CD1 4.26Å; L111-I115 WeakPolarHBondContact O-CG1 3.43Å; L111-I115 WeakPolarHBondContact O-CG2 3.48Å; L111-I115 PolarHBondContact O-N 3.11Å; I115-Q122 PolarHBondContact O-N 3.01Å; I115-L129 HydrophobicContact CG2-CD1 3.73Å; I115-L129 HydrophobicContact CG2-CD2 4.09Å |
| 116 | L | 96 | Very high | 92.9 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 93.7 | -177.8 | -170.9 | 64.8 | 0 | 0 | 0 | 110.9 | I2 Y20 F81 L112 G119 Y120 P121 | I2-L116 HydrophobicContact CB-CD2 4.45Å; I2-L116 HydrophobicContact CD1-CD1 4.29Å; I2-L116 HydrophobicContact CD1-CD2 4.34Å; I2-L116 HydrophobicContact CG2-CD2 4.28Å; Y20-L116 WeakPolarHBondContact CD1-O 3.24Å; Y20-L116 HydrophobicContact CD2-CD2 3.8Å; Y20-L116 HydrophobicContact CD2-CG 4.39Å; Y20-L116 HydrophobicContact CE1-CB 4.2Å; Y20-L116 HydrophobicContact CE1-CD2 4.27Å; Y20-L116 HydrophobicContact CE1-CG 4.14Å; Y20-L116 WeakPolarHBondContact CE1-O 3.41Å; Y20-L116 HydrophobicContact CE2-CD2 3.26Å; Y20-L116 HydrophobicContact CE2-CG 4.01Å; Y20-L116 HydrophobicContact CG-CD2 4.49Å; F81-L116 HydrophobicContact CE1-CD1 4.45Å; F81-L116 HydrophobicContact CE1-CD2 3.7Å; F81-L116 HydrophobicContact CE2-CB 4Å; F81-L116 HydrophobicContact CE2-CD1 4.15Å; F81-L116 HydrophobicContact CE2-CD2 4.45Å; F81-L116 HydrophobicContact CE2-CG 4.44Å; F81-L116 HydrophobicContact CZ-CB 3.73Å; F81-L116 HydrophobicContact CZ-CD1 4.09Å; F81-L116 HydrophobicContact CZ-CD2 3.61Å; F81-L116 HydrophobicContact CZ-CG 4.02Å; L112-L116 PolarHBondContact O-N 3.18Å; L112-L116 VanDerWaalsContact O-N 3.1Å; L116-G119 VanDerWaalsContact CD1-C 3.42Å; L116-G119 WeakPolarHBondContact CD1-O 3.48Å; L116-Y120 VanDerWaalsContact CD1-C 3.5Å; L116-P121 HydrophobicContact CD1-CB 4.34Å; L116-P121 HydrophobicContact CD1-CG 3.93Å |
| 117 | D | 94.8 | Very high | 92.2 | Very high | 102 Ų | 102 | 46 Ų | 46 | 55% | 0.545 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 125.5 | 177.7 | -177.4 | 19.9 | 0 | 0 | 0 | 111 | G119 Y120 Q122 | D117-G119 PolarHBondContact O-N 3.04Å; D117-Y120 PolarHBondContact N-O 2.82Å; D117-Y120 VanDerWaalsContact N-O 3.12Å; D117-Y120 WeakPolarHBondContact O-CA 3.22Å; D117-Y120 WeakPolarHBondContact O-CB 3.09Å; D117-Y120 WeakPolarHBondContact O-CD2 3.33Å; D117-Y120 PolarHBondContact O-N 2.94Å; D117-Q122 HydrophobicContact CB-CG 4.14Å |
| 118 | F | 94.3 | Very high | 91.7 | Very high | 108 Ų | 108 | 45.5 Ų | 45.5 | 47% | 0.474 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 44.7 | 40.6 | -178.8 | -161.7 | -124.1 | 0 | 0 | 0 | 111.6 | Y20 R21 Y120 | Y20-F118 WeakPolarHBondContact O-CD2 3.39Å; Y20-F118 WeakPolarHBondContact O-CE2 3.23Å; R21-F118 VanDerWaalsContact CZ-O 3.23Å; R21-F118 PolarHBondContact NH1-O 3.02Å; R21-F118 VanDerWaalsContact NH2-CD1 3.31Å; R21-F118 VanDerWaalsContact NH2-CE1 3.29Å; R21-F118 PolarHBondContact NH2-O 3.12Å; F118-Y120 VanDerWaalsContact C-N 3.27Å; F118-Y120 HydrophobicContact CB-CD2 4.32Å; F118-Y120 HydrophobicContact CD1-CD2 4.49Å; F118-Y120 AromaticContact CD1-CE2 3.97Å; F118-Y120 HydrophobicContact CD1-CE2 3.97Å; F118-Y120 WeakPolarHBondContact O-CD2 3.47Å; F118-Y120 WeakPolarHBondContact O-CE2 3.04Å; F118-Y120 PolarHBondContact O-N 3.11Å |
| 119 | G | 92.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | -0.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | M1 I2 L116 D117 P121 | M1-G119 WeakPolarHBondContact CB-O 3.46Å; I2-G119 PolarHBondContact N-O 2.98Å; I2-G119 WeakPolarHBondContact O-CA 3.33Å; L116-G119 VanDerWaalsContact CD1-C 3.42Å; L116-G119 WeakPolarHBondContact CD1-O 3.48Å; D117-G119 PolarHBondContact O-N 3.04Å; G119-P121 WeakPolarHBondContact O-CD 3.08Å |
| 120 | Y | 94.6 | Very high | 90.8 | Very high | 115 Ų | 115 | 48.2 Ų | 48.2 | 45% | 0.451 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 113.2 | 175 | -63.5 | -92.8 | 0 | 0 | 0 | 109.9 | M1 L116 D117 F118 Q122 | M1-Y120 HydrophobicContact CB-CE2 4.45Å; M1-Y120 HydrophobicContact CE-CD1 3.69Å; M1-Y120 HydrophobicContact CE-CE1 4.28Å; M1-Y120 HydrophobicContact CE-CG 4.18Å; M1-Y120 HydrophobicContact CG-CD1 3.61Å; M1-Y120 HydrophobicContact CG-CD2 4.28Å; M1-Y120 HydrophobicContact CG-CE1 3.35Å; M1-Y120 HydrophobicContact CG-CE2 4.04Å; M1-Y120 HydrophobicContact CG-CG 4.05Å; M1-Y120 HydrophobicContact SD-CD1 4.21Å; M1-Y120 HydrophobicContact SD-CE1 4.19Å; L116-Y120 VanDerWaalsContact CD1-C 3.5Å; D117-Y120 PolarHBondContact N-O 2.82Å; D117-Y120 VanDerWaalsContact N-O 3.12Å; D117-Y120 WeakPolarHBondContact O-CA 3.22Å; D117-Y120 WeakPolarHBondContact O-CB 3.09Å; D117-Y120 WeakPolarHBondContact O-CD2 3.33Å; D117-Y120 PolarHBondContact O-N 2.94Å; F118-Y120 VanDerWaalsContact C-N 3.27Å; F118-Y120 HydrophobicContact CB-CD2 4.32Å; F118-Y120 HydrophobicContact CD1-CD2 4.49Å; F118-Y120 AromaticContact CD1-CE2 3.97Å; F118-Y120 HydrophobicContact CD1-CE2 3.97Å; F118-Y120 WeakPolarHBondContact O-CD2 3.47Å; F118-Y120 WeakPolarHBondContact O-CE2 3.04Å; F118-Y120 PolarHBondContact O-N 3.11Å; Y120-Q122 PolarHBondContact O-N 3.06Å; Y120-Q122 PolarHBondContact O-NE2 3.15Å; Y120-Q122 VanDerWaalsContact O-NE2 3.12Å |
| 121 | P | 95.3 | Very high | 90.1 | Very high | 42 Ų | 42 | 45.1 Ų | 45.1 | 27% | 0.273 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 128.2 | 176 | -25.9 | 35.7 | 0 | 0 | 0 | 110.7 | F81 L116 G119 | F81-P121 HydrophobicContact CB-CG 4.32Å; F81-P121 HydrophobicContact CD2-CB 3.86Å; F81-P121 HydrophobicContact CD2-CG 4.13Å; F81-P121 HydrophobicContact CE2-CB 4.49Å; F81-P121 HydrophobicContact CG-CB 4.47Å; F81-P121 HydrophobicContact CG-CG 4.28Å; L116-P121 HydrophobicContact CD1-CB 4.34Å; L116-P121 HydrophobicContact CD1-CG 3.93Å; G119-P121 WeakPolarHBondContact O-CD 3.08Å |
| 122 | Q | 93.3 | Very high | 89.4 | Confident | 94 Ų | 94 | 47.6 Ų | 47.6 | 44% | 0.439 | 25% | 0.245 | S | C | . | . | trans | -101.4 | -170.9 | 177.7 | -57.2 | -56.7 | -32.5 | 0 | 0 | 110.4 | E114 I115 D117 Y120 S124 | E114-Q122 WeakPolarHBondContact O-CB 3.28Å; I115-Q122 PolarHBondContact O-N 3.01Å; D117-Q122 HydrophobicContact CB-CG 4.14Å; Y120-Q122 PolarHBondContact O-N 3.06Å; Y120-Q122 PolarHBondContact O-NE2 3.15Å; Y120-Q122 VanDerWaalsContact O-NE2 3.12Å; Q122-S124 PolarHBondContact O-N 3.01Å; Q122-S124 VanDerWaalsContact O-N 3.15Å | ||
| 123 | N | 85.5 | Confident | 88.9 | Confident | 63 Ų | 63 | 47.6 Ų | 47.6 | 34% | 0.337 | 25% | 0.245 | S | C | . | . | trans | -64.5 | 114.7 | 176.5 | -172 | -16.1 | 0 | 0 | 0 | 110.6 | E125 | N123-E125 VanDerWaalsContact OD1-CB 3.24Å; N123-E125 WeakPolarHBondContact OD1-CB 3.4Å; N123-E125 WeakPolarHBondContact OD1-CG 3.39Å; N123-E125 PolarHBondContact OD1-N 2.94Å | ||
| 124 | S | 89.4 | Confident | 88.3 | Confident | 29 Ų | 29 | 47.1 Ų | 47.1 | 20% | 0.203 | 24% | 0.244 | C | C | . | . | trans | -106.6 | 28.5 | 179.9 | 75.8 | 0 | 0 | 0 | 0 | 112.8 | V88 Q122 T126 | V88-S124 WeakPolarHBondContact CG2-O 3.46Å; Q122-S124 PolarHBondContact O-N 3.01Å; Q122-S124 VanDerWaalsContact O-N 3.15Å; S124-T126 PolarHBondContact O-N 3Å | ||
| 125 | E | 85.6 | Confident | 87.1 | Confident | 32 Ų | 32 | 48 Ų | 48 | 15% | 0.15 | 25% | 0.248 | C | C | . | . | trans | -74.4 | 108.1 | 178.1 | -74.9 | -178.9 | -153.1 | 0 | 0 | 111.5 | N123 G127 A128 L129 G159 W160 Q249 | N123-E125 VanDerWaalsContact OD1-CB 3.24Å; N123-E125 WeakPolarHBondContact OD1-CB 3.4Å; N123-E125 WeakPolarHBondContact OD1-CG 3.39Å; N123-E125 PolarHBondContact OD1-N 2.94Å; E125-G127 PolarHBondContact O-N 3.22Å; E125-A128 HydrophobicContact CB-CB 4.38Å; E125-A128 PolarHBondContact O-N 3.26Å; E125-L129 WeakPolarHBondContact O-CG 3.45Å; E125-L129 PolarHBondContact O-N 2.92Å; E125-G159 WeakPolarHBondContact OE2-CA 3.5Å; E125-G159 VanDerWaalsContact OE2-O 3.1Å; E125-W160 WeakPolarHBondContact OE2-CA 3.41Å; E125-W160 WeakPolarHBondContact OE2-CB 3.25Å; E125-W160 PolarHBondContact OE2-N 3.45Å; E125-Q249 PolarHBondContact OE1-NE2 2.98Å | ||
| 126 | T | 85.4 | Confident | 85.5 | Confident | 34 Ų | 34 | 55.8 Ų | 55.8 | 21% | 0.209 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -53 | -34.7 | -178.4 | -45.4 | 0 | 0 | 0 | 0 | 113.8 | A91 Y92 S124 A128 L129 K130 | A91-T126 HydrophobicContact CB-CG2 3.62Å; Y92-T126 HydrophobicContact CD2-CG2 4.31Å; Y92-T126 HydrophobicContact CE2-CG2 4.09Å; S124-T126 PolarHBondContact O-N 3Å; T126-A128 VanDerWaalsContact C-N 3.3Å; T126-A128 PolarHBondContact O-N 3.01Å; T126-L129 PolarHBondContact O-N 2.68Å; T126-K130 HydrophobicContact CG2-CD 3.96Å; T126-K130 HydrophobicContact CG2-CG 4.07Å; T126-K130 VanDerWaalsContact O-CB 3.31Å; T126-K130 WeakPolarHBondContact O-CB 3.44Å; T126-K130 WeakPolarHBondContact O-CG 3.45Å; T126-K130 PolarHBondContact O-N 3.49Å |
| 127 | G | 79.4 | Confident | 83.2 | Confident | 42 Ų | 42 | 59.2 Ų | 59.2 | 43% | 0.433 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.6 | -32.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | E125 T131 | E125-G127 PolarHBondContact O-N 3.22Å; G127-T131 WeakPolarHBondContact O-CG2 3.4Å |
| 128 | A | 80.9 | Confident | 80.9 | Confident | 4 Ų | 4 | 60.3 Ų | 60.3 | 3% | 0.033 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -79.5 | -50.1 | 172 | 0 | 0 | 0 | 0 | 0 | 110.2 | E125 T126 K130 T131 F132 V154 | E125-A128 HydrophobicContact CB-CB 4.38Å; E125-A128 PolarHBondContact O-N 3.26Å; T126-A128 VanDerWaalsContact C-N 3.3Å; T126-A128 PolarHBondContact O-N 3.01Å; A128-K130 VanDerWaalsContact C-N 3.27Å; A128-K130 PolarHBondContact O-N 2.68Å; A128-T131 PolarHBondContact O-N 3.4Å; A128-T131 PolarHBondContact O-OG1 3Å; A128-F132 VanDerWaalsContact O-CD1 3.31Å; A128-F132 WeakPolarHBondContact O-CD1 3.2Å; A128-F132 WeakPolarHBondContact O-CE1 3.45Å; A128-V154 HydrophobicContact CB-CG2 4.42Å |
| 129 | L | 86.3 | Confident | 78.6 | Confident | 3 Ų | 3 | 64.1 Ų | 64.1 | 2% | 0.016 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -54.4 | -41.8 | -178.5 | -63 | 172.9 | 0 | 0 | 0 | 112.5 | V88 Y92 L111 E114 I115 E125 T126 T131 F132 I133 | V88-L129 HydrophobicContact CG1-CD1 3.95Å; V88-L129 HydrophobicContact CG2-CD1 4.31Å; Y92-L129 HydrophobicContact CE2-CB 4.36Å; Y92-L129 WeakPolarHBondContact OH-CB 3.28Å; Y92-L129 PolarHBondContact OH-O 3.45Å; Y92-L129 VanDerWaalsContact OH-O 3.1Å; L111-L129 HydrophobicContact CD2-CD1 4.29Å; E114-L129 HydrophobicContact CB-CD2 4.47Å; E114-L129 HydrophobicContact CG-CD2 3.72Å; I115-L129 HydrophobicContact CG2-CD1 3.73Å; I115-L129 HydrophobicContact CG2-CD2 4.09Å; E125-L129 WeakPolarHBondContact O-CG 3.45Å; E125-L129 PolarHBondContact O-N 2.92Å; T126-L129 PolarHBondContact O-N 2.68Å; L129-T131 PolarHBondContact O-N 3.21Å; L129-T131 VanDerWaalsContact O-N 3.11Å; L129-F132 HydrophobicContact CD2-CE2 4.3Å; L129-F132 HydrophobicContact CD2-CZ 3.85Å; L129-F132 PolarHBondContact O-N 2.94Å; L129-I133 HydrophobicContact CD2-CD1 4.22Å; L129-I133 WeakPolarHBondContact O-CA 3.34Å; L129-I133 WeakPolarHBondContact O-CB 3.49Å; L129-I133 PolarHBondContact O-N 2.88Å |
| 130 | K | 85.4 | Confident | 76.3 | Confident | 100 Ų | 100 | 69.4 Ų | 69.4 | 44% | 0.435 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.8 | -10.9 | -178.6 | -80.2 | -174.7 | 175 | -171 | 0 | 114.8 | A91 Y92 T126 A128 | A91-K130 WeakPolarHBondContact O-CE 3.33Å; A91-K130 PolarHBondContact O-NZ 2.83Å; Y92-K130 HydrophobicContact CD1-CG 4.46Å; Y92-K130 HydrophobicContact CE1-CG 3.78Å; Y92-K130 HydrophobicContact CE2-CG 3.83Å; Y92-K130 VanDerWaalsContact CZ-CG 3.43Å; Y92-K130 VanDerWaalsContact OH-CA 3.25Å; Y92-K130 WeakPolarHBondContact OH-CA 3.27Å; Y92-K130 WeakPolarHBondContact OH-CG 3.29Å; Y92-K130 PolarHBondContact OH-N 2.99Å; Y92-K130 VanDerWaalsContact OH-N 3.08Å; T126-K130 HydrophobicContact CG2-CD 3.96Å; T126-K130 HydrophobicContact CG2-CG 4.07Å; T126-K130 VanDerWaalsContact O-CB 3.31Å; T126-K130 WeakPolarHBondContact O-CB 3.44Å; T126-K130 WeakPolarHBondContact O-CG 3.45Å; T126-K130 PolarHBondContact O-N 3.49Å; A128-K130 VanDerWaalsContact C-N 3.27Å; A128-K130 PolarHBondContact O-N 2.68Å |
| 131 | T | 79.6 | Confident | 74.3 | Confident | 19 Ų | 19 | 72.3 Ų | 72.3 | 12% | 0.117 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -80.4 | -31.5 | 177.2 | 66.3 | 0 | 0 | 0 | 0 | 112 | G127 A128 L129 | G127-T131 WeakPolarHBondContact O-CG2 3.4Å; A128-T131 PolarHBondContact O-N 3.4Å; A128-T131 PolarHBondContact O-OG1 3Å; L129-T131 PolarHBondContact O-N 3.21Å; L129-T131 VanDerWaalsContact O-N 3.11Å |
| 132 | F | 81.3 | Confident | 72.6 | Confident | 56 Ų | 56 | 73.4 Ų | 73.4 | 25% | 0.246 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -118.2 | -26.5 | -176.9 | 56 | -90.9 | 0 | 0 | 0 | 113.9 | E114 A128 L129 I150 V154 | E114-F132 HydrophobicContact CG-CE2 3.79Å; E114-F132 HydrophobicContact CG-CZ 4.15Å; A128-F132 VanDerWaalsContact O-CD1 3.31Å; A128-F132 WeakPolarHBondContact O-CD1 3.2Å; A128-F132 WeakPolarHBondContact O-CE1 3.45Å; L129-F132 HydrophobicContact CD2-CE2 4.3Å; L129-F132 HydrophobicContact CD2-CZ 3.85Å; L129-F132 PolarHBondContact O-N 2.94Å; F132-I150 HydrophobicContact CB-CG2 4.28Å; F132-I150 HydrophobicContact CD1-CG2 3.68Å; F132-I150 HydrophobicContact CE1-CG2 4.44Å; F132-I150 HydrophobicContact CG-CG2 4.33Å; F132-V154 HydrophobicContact CE1-CG2 3.81Å; F132-V154 HydrophobicContact CZ-CG2 4.49Å |
| 133 | I | 85.6 | Confident | 71.5 | Confident | 2 Ų | 2 | 72.5 Ų | 72.5 | 1% | 0.01 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -97.2 | 104.8 | 170.9 | -60.5 | 175.4 | 0 | 0 | 0 | 108.1 | Y92 L107 E110 L111 E114 L129 | Y92-I133 HydrophobicContact CE1-CG2 4.28Å; Y92-I133 VanDerWaalsContact CE1-O 3.32Å; Y92-I133 WeakPolarHBondContact CE1-O 3.21Å; Y92-I133 PolarHBondContact OH-O 3.33Å; Y92-I133 VanDerWaalsContact OH-O 3.05Å; L107-I133 HydrophobicContact CD1-CG2 3.37Å; E110-I133 HydrophobicContact CG-CD1 4.22Å; E110-I133 HydrophobicContact CG-CG1 4.1Å; E110-I133 HydrophobicContact CG-CG2 4.2Å; L111-I133 HydrophobicContact CD2-CB 4.49Å; L111-I133 HydrophobicContact CD2-CD1 3.86Å; L111-I133 HydrophobicContact CD2-CG2 3.94Å; L111-I133 HydrophobicContact CG-CG2 4.21Å; E114-I133 HydrophobicContact CB-CD1 3.81Å; E114-I133 HydrophobicContact CG-CD1 4.04Å; L129-I133 HydrophobicContact CD2-CD1 4.22Å; L129-I133 WeakPolarHBondContact O-CA 3.34Å; L129-I133 WeakPolarHBondContact O-CB 3.49Å; L129-I133 PolarHBondContact O-N 2.88Å |
| 134 | T | 79.5 | Confident | 70.8 | Confident | 58 Ų | 58 | 78.4 Ų | 78.4 | 36% | 0.356 | 42% | 0.421 | S | S | . | . | trans | -121.6 | 142.5 | -174.3 | 66.9 | 0 | 0 | 0 | 0 | 112.1 | Q136 | T134-Q136 VanDerWaalsContact C-N 3.31Å; T134-Q136 PolarHBondContact OG1-O 2.8Å | ||
| 135 | Q | 68.9 | Low | 70 | Confident | 103 Ų | 103 | 83.7 Ų | 83.7 | 48% | 0.481 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -77.9 | -18.2 | 175.2 | -79.9 | 176.3 | -9.7 | 0 | 0 | 113.2 | Y92 N104 L107 | Y92-Q135 PolarHBondContact O-NE2 3.34Å; N104-Q135 PolarHBondContact OD1-NE2 2.82Å; L107-Q135 HydrophobicContact CD1-CG 4.46Å; L107-Q135 HydrophobicContact CD2-CG 3.67Å; L107-Q135 VanDerWaalsContact CD2-NE2 3.31Å |
| 136 | Q | 61.9 | Low | 69.4 | Low | 166 Ų | 166 | 86 Ų | 86 | 78% | 0.776 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -89.8 | 134 | 178.9 | -64.5 | -174.2 | -2.3 | 0 | 0 | 108 | T134 I138 | T134-Q136 VanDerWaalsContact C-N 3.31Å; T134-Q136 PolarHBondContact OG1-O 2.8Å; Q136-I138 PolarHBondContact O-N 3.49Å |
| 137 | G | 47.8 | Very low | 68.8 | Low | 72 Ų | 72 | 89.5 Ų | 89.5 | 74% | 0.742 | 47% | 0.467 | S | S | * | . | trans | -47.8 | 131.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | K139 | G137-K139 PolarHBondContact O-N 2.92Š| ||
| 138 | I | 45.3 | Very low | 68.5 | Low | 124 Ų | 124 | 90.8 Ų | 90.8 | 64% | 0.636 | 47% | 0.47 | S | S | * | . | trans | -47.8 | 106.7 | -175.4 | -57 | -176.1 | 0 | 0 | 0 | 109 | Q136 S140 | Q136-I138 PolarHBondContact O-N 3.49Å; I138-S140 PolarHBondContact O-N 3.48Å; I138-S140 PolarHBondContact O-OG 2.97Å | ||
| 139 | K | 46 | Very low | 68.2 | Low | 188 Ų | 188 | 96.7 Ų | 96.7 | 82% | 0.817 | 50% | 0.497 | S | S | * | . | trans | -61.9 | 108.9 | 158.9 | -84.2 | -172.3 | 177 | -178.1 | 0 | 105.1 | G137 Q141 | G137-K139 PolarHBondContact O-N 2.92Å; K139-Q141 PolarHBondContact O-N 2.85Å | ||
| 140 | S | 46 | Very low | 67.6 | Low | 112 Ų | 112 | 97.8 Ų | 97.8 | 78% | 0.783 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -69 | 25.4 | -163.6 | -41.4 | 0 | 0 | 0 | 0 | 115.7 | I138 | I138-S140 PolarHBondContact O-N 3.48Å; I138-S140 PolarHBondContact O-OG 2.97Å |
| 141 | Q | 51.8 | Low | 67.1 | Low | 175 Ų | 175 | 96.9 Ų | 96.9 | 82% | 0.818 | 51% | 0.505 | S | S | * | . | trans | -146 | 80.5 | 176 | -74.6 | -175.1 | -15.9 | 0 | 0 | 110 | K139 T143 | K139-Q141 PolarHBondContact O-N 2.85Å; Q141-T143 PolarHBondContact O-N 3.33Å | ||
| 142 | H | 59.9 | Low | 67 | Low | 66 Ų | 66 | 99.1 Ų | 99.1 | 31% | 0.306 | 52% | 0.522 | S | S | . | . | trans | -66.5 | 125.1 | 151.4 | -72.4 | -64.9 | 0 | 0 | 0 | 107.2 | E146 Q147 | H142-E146 WeakPolarHBondContact CA-OE2 3.3Å; H142-E146 IonicContact CE1-OE1 2.65Å; H142-E146 IonicContact CE1-OE2 2.68Å; H142-E146 IonicContact CG-OE2 3.63Å; H142-E146 IonicContact ND1-OE1 3.51Å; H142-E146 IonicContact ND1-OE2 2.82Å; H142-E146 PolarHBondContact ND1-OE2 3.18Å; H142-Q147 HydrophobicContact CB-CG 4Å | ||
| 143 | T | 69.1 | Low | 66.7 | Low | 75 Ų | 75 | 97.3 Ų | 97.3 | 46% | 0.46 | 51% | 0.514 | S | S | . | . | trans | -64.8 | 154 | 175.7 | 61.3 | 0 | 0 | 0 | 0 | 109.2 | Q141 E145 E146 Q147 | Q141-T143 PolarHBondContact O-N 3.33Å; T143-E145 PolarHBondContact O-N 2.94Å; T143-E145 VanDerWaalsContact O-N 3.11Å; T143-E146 WeakPolarHBondContact O-CB 3.33Å; T143-E146 PolarHBondContact O-N 3.27Å; T143-E146 PolarHBondContact OG1-N 2.96Å; T143-Q147 PolarHBondContact O-N 3.33Å | ||
| 144 | K | 71.9 | Confident | 66.2 | Low | 187 Ų | 187 | 99.8 Ų | 99.8 | 81% | 0.813 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -53.4 | -33.6 | 175.1 | -75.9 | -175.9 | 175.8 | -179.9 | 0 | 112 | S148 | K144-S148 PolarHBondContact O-N 3.17Å |
| 145 | E | 72.8 | Confident | 66 | Low | 139 Ų | 139 | 102.3 Ų | 102.3 | 65% | 0.65 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.9 | -46.1 | 175.7 | -67.8 | 153.4 | -173.5 | 0 | 0 | 111.5 | T143 Q147 S148 Q149 | T143-E145 PolarHBondContact O-N 2.94Å; T143-E145 VanDerWaalsContact O-N 3.11Å; E145-Q147 PolarHBondContact O-N 3.14Å; E145-S148 PolarHBondContact O-N 3.5Å; E145-S148 PolarHBondContact O-OG 3.12Å; E145-Q149 WeakPolarHBondContact O-CG 3.44Å; E145-Q149 PolarHBondContact O-N 3.27Å |
| 146 | E | 72.2 | Confident | 66.3 | Low | 81 Ų | 81 | 99 Ų | 99 | 38% | 0.379 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.7 | -41.8 | 177.6 | -164.5 | 176.7 | -164.2 | 0 | 0 | 111.7 | H142 T143 S148 Q149 I150 | H142-E146 WeakPolarHBondContact CA-OE2 3.3Å; H142-E146 IonicContact CE1-OE1 2.65Å; H142-E146 IonicContact CE1-OE2 2.68Å; H142-E146 IonicContact CG-OE2 3.63Å; H142-E146 IonicContact ND1-OE1 3.51Å; H142-E146 IonicContact ND1-OE2 2.82Å; H142-E146 PolarHBondContact ND1-OE2 3.18Å; T143-E146 WeakPolarHBondContact O-CB 3.33Å; T143-E146 PolarHBondContact O-N 3.27Å; T143-E146 PolarHBondContact OG1-N 2.96Å; E146-S148 VanDerWaalsContact C-N 3.33Å; E146-S148 PolarHBondContact O-N 2.8Å; E146-Q149 PolarHBondContact O-N 2.98Å; E146-I150 HydrophobicContact CG-CD1 4.27Å; E146-I150 VanDerWaalsContact O-CG1 3.28Å; E146-I150 WeakPolarHBondContact O-CG1 3.47Å; E146-I150 PolarHBondContact O-N 2.88Å |
| 147 | Q | 73.1 | Confident | 67 | Low | 107 Ų | 107 | 100.2 Ų | 100.2 | 50% | 0.5 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.9 | -40.9 | 174.1 | -69.3 | -178.4 | -13.5 | 0 | 0 | 112.5 | H142 T143 E145 Q149 I150 T151 | H142-Q147 HydrophobicContact CB-CG 4Å; T143-Q147 PolarHBondContact O-N 3.33Å; E145-Q147 PolarHBondContact O-N 3.14Å; Q147-Q149 VanDerWaalsContact C-N 3.35Å; Q147-I150 PolarHBondContact O-N 3.45Å; Q147-T151 WeakPolarHBondContact O-CB 3.35Å; Q147-T151 PolarHBondContact O-N 3.19Å; Q147-T151 PolarHBondContact O-OG1 3.36Å |
| 148 | S | 73.9 | Confident | 68.7 | Low | 70 Ų | 70 | 99 Ų | 99 | 49% | 0.49 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.9 | -36.5 | 176.8 | 75.4 | 0 | 0 | 0 | 0 | 112.6 | K144 E145 E146 S152 | K144-S148 PolarHBondContact O-N 3.17Å; E145-S148 PolarHBondContact O-N 3.5Å; E145-S148 PolarHBondContact O-OG 3.12Å; E146-S148 VanDerWaalsContact C-N 3.33Å; E146-S148 PolarHBondContact O-N 2.8Å; S148-S152 WeakPolarHBondContact O-CB 3.43Å; S148-S152 PolarHBondContact O-N 2.96Å; S148-S152 PolarHBondContact O-OG 3.08Å |
| 149 | Q | 73.7 | Confident | 70.5 | Confident | 128 Ų | 128 | 93.3 Ų | 93.3 | 60% | 0.598 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -70.4 | -38.9 | 176.1 | -73 | 179.6 | 7.5 | 0 | 0 | 112.6 | E145 E146 Q147 S152 Q153 | E145-Q149 WeakPolarHBondContact O-CG 3.44Å; E145-Q149 PolarHBondContact O-N 3.27Å; E146-Q149 PolarHBondContact O-N 2.98Å; Q147-Q149 VanDerWaalsContact C-N 3.35Å; Q149-S152 PolarHBondContact O-N 3.1Å; Q149-S152 PolarHBondContact O-OG 3.14Å; Q149-Q153 WeakPolarHBondContact O-CB 3.31Å; Q149-Q153 PolarHBondContact O-N 3.38Å |
| 150 | I | 74 | Confident | 72.4 | Confident | 25 Ų | 25 | 87 Ų | 87 | 13% | 0.128 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -63.5 | -47.4 | 174.6 | -67.3 | 166.6 | 0 | 0 | 0 | 109.5 | F132 E146 Q147 S152 Q153 V154 | F132-I150 HydrophobicContact CB-CG2 4.28Å; F132-I150 HydrophobicContact CD1-CG2 3.68Å; F132-I150 HydrophobicContact CE1-CG2 4.44Å; F132-I150 HydrophobicContact CG-CG2 4.33Å; E146-I150 HydrophobicContact CG-CD1 4.27Å; E146-I150 VanDerWaalsContact O-CG1 3.28Å; E146-I150 WeakPolarHBondContact O-CG1 3.47Å; E146-I150 PolarHBondContact O-N 2.88Å; Q147-I150 PolarHBondContact O-N 3.45Å; I150-S152 VanDerWaalsContact C-N 3.35Å; I150-S152 PolarHBondContact O-N 2.86Å; I150-Q153 PolarHBondContact O-N 2.99Å; I150-V154 HydrophobicContact CG2-CG2 4.43Å; I150-V154 WeakPolarHBondContact O-CG2 3.4Å; I150-V154 PolarHBondContact O-N 3.15Å |
| 151 | T | 75.2 | Confident | 74.5 | Confident | 81 Ų | 81 | 81.9 Ų | 81.9 | 50% | 0.497 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -57.9 | -48.9 | 178.3 | -53.2 | 0 | 0 | 0 | 0 | 110.5 | Q147 Q153 V154 T155 | Q147-T151 WeakPolarHBondContact O-CB 3.35Å; Q147-T151 PolarHBondContact O-N 3.19Å; Q147-T151 PolarHBondContact O-OG1 3.36Å; T151-Q153 VanDerWaalsContact C-N 3.3Å; T151-Q153 PolarHBondContact O-N 3.05Å; T151-V154 PolarHBondContact O-N 2.99Å; T151-T155 HydrophobicContact CG2-CG2 4.2Å; T151-T155 WeakPolarHBondContact O-CB 3.37Å; T151-T155 WeakPolarHBondContact O-CG2 3.49Å; T151-T155 PolarHBondContact O-N 2.91Å; T151-T155 PolarHBondContact O-OG1 3.19Å |
| 152 | S | 76.6 | Confident | 76 | Confident | 67 Ų | 67 | 80 Ų | 80 | 47% | 0.469 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -66.1 | -30 | -179.5 | 69.9 | 0 | 0 | 0 | 0 | 113.5 | S148 Q149 I150 G156 | S148-S152 WeakPolarHBondContact O-CB 3.43Å; S148-S152 PolarHBondContact O-N 2.96Å; S148-S152 PolarHBondContact O-OG 3.08Å; Q149-S152 PolarHBondContact O-N 3.1Å; Q149-S152 PolarHBondContact O-OG 3.14Å; I150-S152 VanDerWaalsContact C-N 3.35Å; I150-S152 PolarHBondContact O-N 2.86Å; S152-G156 WeakPolarHBondContact O-CA 3.38Å; S152-G156 PolarHBondContact O-N 3.27Å |
| 153 | Q | 75.3 | Confident | 77.2 | Confident | 17 Ų | 17 | 82.9 Ų | 82.9 | 8% | 0.079 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -70.1 | -41.8 | 173.2 | -170.9 | -173 | -7.6 | 0 | 0 | 111.7 | Q149 I150 T151 G159 R162 | Q149-Q153 WeakPolarHBondContact O-CB 3.31Å; Q149-Q153 PolarHBondContact O-N 3.38Å; I150-Q153 PolarHBondContact O-N 2.99Å; T151-Q153 VanDerWaalsContact C-N 3.3Å; T151-Q153 PolarHBondContact O-N 3.05Å; Q153-G159 PolarHBondContact NE2-O 3.29Å; Q153-G159 VanDerWaalsContact NE2-O 3.15Å; Q153-R162 HydrophobicContact CG-CG 4.35Å; Q153-R162 VanDerWaalsContact OE1-CD 3.31Å |
| 154 | V | 74.4 | Confident | 78.1 | Confident | 55 Ų | 55 | 82.2 Ų | 82.2 | 33% | 0.333 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -74.4 | -41.7 | -177.8 | 175.3 | 0 | 0 | 0 | 0 | 111.6 | A128 F132 I150 T151 | A128-V154 HydrophobicContact CB-CG2 4.42Å; F132-V154 HydrophobicContact CE1-CG2 3.81Å; F132-V154 HydrophobicContact CZ-CG2 4.49Å; I150-V154 HydrophobicContact CG2-CG2 4.43Å; I150-V154 WeakPolarHBondContact O-CG2 3.4Å; I150-V154 PolarHBondContact O-N 3.15Å; T151-V154 PolarHBondContact O-N 2.99Å |
| 155 | T | 77.1 | Confident | 79 | Confident | 110 Ų | 110 | 74.5 Ų | 74.5 | 68% | 0.675 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -92 | -9.9 | -178.5 | 67.9 | 0 | 0 | 0 | 0 | 113.4 | T151 | T151-T155 HydrophobicContact CG2-CG2 4.2Å; T151-T155 WeakPolarHBondContact O-CB 3.37Å; T151-T155 WeakPolarHBondContact O-CG2 3.49Å; T151-T155 PolarHBondContact O-N 2.91Å; T151-T155 PolarHBondContact O-OG1 3.19Å |
| 156 | G | 74.3 | Confident | 80 | Confident | 34 Ų | 34 | 76 Ų | 76 | 35% | 0.351 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -74.5 | 162.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | S152 I158 | S152-G156 WeakPolarHBondContact O-CA 3.38Å; S152-G156 PolarHBondContact O-N 3.27Å; G156-I158 PolarHBondContact O-N 2.9Å |
| 157 | Q | 75.8 | Confident | 81.1 | Confident | 191 Ų | 191 | 75.9 Ų | 75.9 | 89% | 0.893 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -66.6 | -18 | 178.2 | -164.1 | -179.5 | 4.5 | 0 | 0 | 113.1 | ||
| 158 | I | 84.2 | Confident | 82.1 | Confident | 47 Ų | 47 | 82.5 Ų | 82.5 | 24% | 0.241 | 42% | 0.422 | C | S | . | . | trans | -123.7 | 95.5 | -179.6 | -58.6 | 165.1 | 0 | 0 | 0 | 108.7 | G156 W160 R161 M208 I265 | G156-I158 PolarHBondContact O-N 2.9Å; I158-W160 HydrophobicContact CG1-CZ2 4.43Å; I158-W160 HydrophobicContact CG2-CD2 4.17Å; I158-W160 HydrophobicContact CG2-CG 4.45Å; I158-W160 HydrophobicContact CG2-CZ2 4.02Å; I158-R161 HydrophobicContact CG2-CB 4.28Å; I158-M208 HydrophobicContact CB-CE 4.31Å; I158-M208 HydrophobicContact CD1-CE 4Å; I158-M208 HydrophobicContact CG2-CE 3.82Å; I158-I265 HydrophobicContact CD1-CD1 3.44Å; I158-I265 VanDerWaalsContact CD1-CD1 3.44Å | ||
| 159 | G | 82.3 | Confident | 83.1 | Confident | 5 Ų | 5 | 87.1 Ų | 87.1 | 5% | 0.052 | 43% | 0.429 | C | S | . | . | trans | -78.9 | -28.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | E125 Q153 R161 | E125-G159 WeakPolarHBondContact OE2-CA 3.5Å; E125-G159 VanDerWaalsContact OE2-O 3.1Å; Q153-G159 PolarHBondContact NE2-O 3.29Å; Q153-G159 VanDerWaalsContact NE2-O 3.15Å; G159-R161 PolarHBondContact O-N 3.45Å | ||
| 160 | W | 86.6 | Confident | 84.3 | Confident | 54 Ų | 54 | 82.1 Ų | 82.1 | 21% | 0.205 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -88.6 | -1.8 | -163.2 | 57.4 | 77.4 | 0 | 0 | 0 | 114.5 | E125 I158 Q249 C250 I265 P267 | E125-W160 WeakPolarHBondContact OE2-CA 3.41Å; E125-W160 WeakPolarHBondContact OE2-CB 3.25Å; E125-W160 PolarHBondContact OE2-N 3.45Å; I158-W160 HydrophobicContact CG1-CZ2 4.43Å; I158-W160 HydrophobicContact CG2-CD2 4.17Å; I158-W160 HydrophobicContact CG2-CG 4.45Å; I158-W160 HydrophobicContact CG2-CZ2 4.02Å; W160-Q249 HydrophobicContact CD2-CG 4.41Å; W160-Q249 HydrophobicContact CE3-CG 3.85Å; W160-Q249 HydrophobicContact CZ3-CG 4.18Å; W160-C250 HydrophobicContact CD2-CB 4.09Å; W160-C250 VanDerWaalsContact CE2-CB 3.45Å; W160-C250 HydrophobicContact CG-CB 4.33Å; W160-C250 VanDerWaalsContact CZ2-CA 3.45Å; W160-C250 HydrophobicContact CZ2-CB 3.82Å; W160-C250 VanDerWaalsContact NE1-CB 3.27Å; W160-I265 PolarHBondContact NE1-O 3.49Å; W160-P267 HydrophobicContact CB-CG 4.19Å; W160-P267 HydrophobicContact CG-CG 4.21Å |
| 161 | R | 89.4 | Confident | 85.4 | Confident | 6 Ų | 6 | 83.4 Ų | 83.4 | 2% | 0.023 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -143.5 | 130 | 179 | -169.6 | -174.3 | -179.3 | 68.8 | 8.9 | 110.6 | I158 G159 I165 L205 G207 M208 I265 P266 D268 | I158-R161 HydrophobicContact CG2-CB 4.28Å; G159-R161 PolarHBondContact O-N 3.45Å; R161-I165 HydrophobicContact CG-CD1 4.18Å; R161-L205 PolarHBondContact NH2-O 3.12Å; R161-G207 VanDerWaalsContact CZ-O 3.26Å; R161-G207 PolarHBondContact NE-O 2.71Å; R161-G207 PolarHBondContact NH2-O 3.12Å; R161-M208 HydrophobicContact CB-CE 4.1Å; R161-M208 HydrophobicContact CB-SD 4.1Å; R161-M208 VanDerWaalsContact CD-SD 3.55Å; R161-M208 HydrophobicContact CG-CE 4.3Å; R161-M208 HydrophobicContact CG-SD 3.66Å; R161-I265 HydrophobicContact CB-CG2 4.4Å; R161-P266 WeakPolarHBondContact CD-O 3.47Å; R161-P266 PolarHBondContact NH1-O 3.48Å; R161-D268 IonicContact NH1-OD1 2.76Å; R161-D268 PolarHBondContact NH1-OD1 2.82Å |
| 162 | R | 84.3 | Confident | 86.4 | Confident | 136 Ų | 136 | 79.5 Ų | 79.5 | 51% | 0.513 | 39% | 0.388 | S | S | . | . | trans | -83.6 | 143.5 | 177.9 | -71.1 | -175.6 | -74.8 | 176.5 | -2.9 | 111.8 | Q153 I165 M208 | Q153-R162 HydrophobicContact CG-CG 4.35Å; Q153-R162 VanDerWaalsContact OE1-CD 3.31Å; R162-I165 HydrophobicContact CB-CD1 4.24Å; R162-I165 HydrophobicContact CB-CG1 4.33Å; R162-I165 VanDerWaalsContact O-CD1 3.28Å; R162-I165 WeakPolarHBondContact O-CD1 3.37Å; R162-I165 WeakPolarHBondContact O-CG1 3.32Å; R162-M208 VanDerWaalsContact O-SD 3.41Å | ||
| 163 | E | 85.7 | Confident | 87.4 | Confident | 125 Ų | 125 | 78.9 Ų | 78.9 | 58% | 0.584 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | 158.3 | 167.6 | -60.8 | -153.8 | 135.1 | 0 | 0 | 111.1 | I165 M208 K409 | E163-I165 VanDerWaalsContact C-N 3.31Å; E163-I165 PolarHBondContact O-N 2.96Å; E163-M208 HydrophobicContact CG-CG 3.98Å; E163-M208 HydrophobicContact CG-SD 4.23Å; E163-K409 IonicContact OE1-NZ 3.68Å; E163-K409 PolarHBondContact OE1-NZ 3.32Å; E163-K409 IonicContact OE2-NZ 3.56Å |
| 164 | G | 86.9 | Confident | 88.4 | Confident | 61 Ų | 61 | 78.2 Ų | 78.2 | 63% | 0.629 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | 2.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | K166 | G164-K166 PolarHBondContact O-N 3.34Š|
| 165 | I | 91.5 | Very high | 89.5 | Confident | 26 Ų | 26 | 76 Ų | 76 | 13% | 0.133 | 36% | 0.36 | C | S | . | . | trans | -57.4 | 133.1 | 173.4 | -62.4 | 172.3 | 0 | 0 | 0 | 109.6 | R161 R162 E163 Y167 L205 S206 G207 D268 | R161-I165 HydrophobicContact CG-CD1 4.18Å; R162-I165 HydrophobicContact CB-CD1 4.24Å; R162-I165 HydrophobicContact CB-CG1 4.33Å; R162-I165 VanDerWaalsContact O-CD1 3.28Å; R162-I165 WeakPolarHBondContact O-CD1 3.37Å; R162-I165 WeakPolarHBondContact O-CG1 3.32Å; E163-I165 VanDerWaalsContact C-N 3.31Å; E163-I165 PolarHBondContact O-N 2.96Å; I165-Y167 HydrophobicContact CG2-CD2 3.83Å; I165-Y167 HydrophobicContact CG2-CE2 3.38Å; I165-L205 WeakPolarHBondContact CG2-O 3.38Å; I165-S206 CarbonylContact O-C 3.53Å; I165-S206 WeakPolarHBondContact O-CA 3.36Å; I165-G207 PolarHBondContact O-N 3.18Å; I165-D268 HydrophobicContact CD1-CB 3.8Å | ||
| 166 | K | 94.1 | Very high | 90.5 | Very high | 171 Ų | 171 | 70.8 Ų | 70.8 | 74% | 0.743 | 33% | 0.328 | S | S | * | . | trans | -134 | 131.1 | 178.7 | -72.5 | -177.5 | -179.7 | 179.3 | 0 | 110.6 | G164 | G164-K166 PolarHBondContact O-N 3.34Š| ||
| 167 | Y | 95.5 | Very high | 91.7 | Very high | 77 Ų | 77 | 70.6 Ų | 70.6 | 30% | 0.302 | 32% | 0.319 | S | S | . | . | trans | -118.9 | 146.9 | 171.7 | -73.5 | -85.5 | 0 | 0 | 0 | 110.2 | I165 R169 Y204 L205 S206 D268 | I165-Y167 HydrophobicContact CG2-CD2 3.83Å; I165-Y167 HydrophobicContact CG2-CE2 3.38Å; Y167-R169 VanDerWaalsContact CB-O 3.32Å; Y167-R169 WeakPolarHBondContact CB-O 3.36Å; Y167-R169 PolarHBondContact O-N 3.02Å; Y167-Y204 VanDerWaalsContact CD2-C 3.44Å; Y167-Y204 AromaticContact CE1-CD1 3.68Å; Y167-Y204 HydrophobicContact CE1-CD1 3.68Å; Y167-Y204 HydrophobicContact CE1-CG 4.15Å; Y167-Y204 AromaticContact CZ-CD1 3.8Å; Y167-L205 VanDerWaalsContact CD2-C 3.46Å; Y167-L205 VanDerWaalsContact CD2-O 3.28Å; Y167-L205 WeakPolarHBondContact CD2-O 3.04Å; Y167-L205 WeakPolarHBondContact CE2-O 3.43Å; Y167-S206 PolarHBondContact N-OG 3.39Å; Y167-S206 PolarHBondContact O-OG 3.43Å; Y167-D268 WeakPolarHBondContact CE2-OD1 3.07Å; Y167-D268 VanDerWaalsContact OH-CG 3.28Å; Y167-D268 PolarHBondContact OH-OD1 3.31Å; Y167-D268 PolarHBondContact OH-OD2 2.9Å | ||
| 168 | R | 94.3 | Very high | 92.7 | Very high | 246 Ų | 246 | 61.5 Ų | 61.5 | 93% | 0.928 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -64.3 | -31.5 | 172.9 | -175.8 | 177.8 | 176.2 | 178 | 0.4 | 111.8 | ||
| 169 | R | 95 | Very high | 93.4 | Very high | 167 Ų | 167 | 60.3 Ų | 60.3 | 63% | 0.63 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -138.3 | 135.8 | 175.7 | -69.9 | -174.7 | 176.8 | 175.3 | -1.2 | 108.8 | Y167 E171 | Y167-R169 VanDerWaalsContact CB-O 3.32Å; Y167-R169 WeakPolarHBondContact CB-O 3.36Å; Y167-R169 PolarHBondContact O-N 3.02Å; R169-E171 HydrophobicContact CB-CG 4.23Å |
| 170 | N | 97.2 | Very high | 94.1 | Very high | 24 Ų | 24 | 60 Ų | 60 | 13% | 0.128 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 116.9 | 176.4 | -62.2 | -53 | 0 | 0 | 0 | 109.1 | Y204 L205 S206 V417 I418 | N170-Y204 CarbonylContact C-O 3.53Å; N170-Y204 VanDerWaalsContact CA-O 3.32Å; N170-Y204 WeakPolarHBondContact CA-O 3.19Å; N170-L205 HydrophobicContact CB-CD2 3.82Å; N170-S206 WeakPolarHBondContact OD1-CB 3.46Å; N170-S206 PolarHBondContact OD1-N 3.42Å; N170-S206 PolarHBondContact OD1-OG 2.66Å; N170-V417 HydrophobicContact CB-CG1 4.49Å; N170-V417 HydrophobicContact CB-CG2 3.95Å; N170-V417 WeakPolarHBondContact O-CA 3.31Å; N170-I418 PolarHBondContact O-N 3.06Å |
| 171 | E | 97 | Very high | 94.5 | Very high | 51 Ų | 51 | 58.5 Ų | 58.5 | 24% | 0.238 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 139.8 | -175.1 | -56.4 | -172.5 | 144.2 | 0 | 0 | 111.4 | R169 F173 Y204 I418 | R169-E171 HydrophobicContact CB-CG 4.23Å; E171-F173 HydrophobicContact CB-CE2 3.76Å; E171-F173 HydrophobicContact CB-CZ 4.19Å; E171-Y204 PolarHBondContact N-O 3.32Å; E171-Y204 PolarHBondContact O-N 3Å; E171-I418 CarbonylContact C-O 3.41Å; E171-I418 WeakPolarHBondContact CA-O 3.48Å; E171-I418 HydrophobicContact CG-CB 4.27Å |
| 172 | L | 96.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 131.8 | 174.9 | -70.4 | -179.3 | 0 | 0 | 0 | 110.6 | M201 K202 S203 L205 L403 V405 V417 I418 K419 W420 | L172-M201 HydrophobicContact CD1-CE 3.73Å; L172-M201 HydrophobicContact CD2-CE 3.24Å; L172-M201 HydrophobicContact CG-CE 4Å; L172-K202 WeakPolarHBondContact CA-O 3.36Å; L172-S203 WeakPolarHBondContact CD2-OG 3.37Å; L172-L205 HydrophobicContact CD1-CD1 4.09Å; L172-L205 HydrophobicContact CD1-CD2 4.46Å; L172-L205 HydrophobicContact CD2-CD1 3.65Å; L172-L205 HydrophobicContact CD2-CD2 4.02Å; L172-L205 HydrophobicContact CD2-CG 3.67Å; L172-L205 HydrophobicContact CG-CD1 4.1Å; L172-L205 HydrophobicContact CG-CD2 3.95Å; L172-L205 HydrophobicContact CG-CG 4.15Å; L172-L403 HydrophobicContact CB-CD2 4.2Å; L172-L403 HydrophobicContact CD1-CD2 3.66Å; L172-L403 HydrophobicContact CD1-CG 4.3Å; L172-V405 HydrophobicContact CD1-CG2 3.41Å; L172-V405 VanDerWaalsContact CD1-CG2 3.41Å; L172-V417 HydrophobicContact CD1-CG1 4.12Å; L172-V417 HydrophobicContact CG-CG1 3.99Å; L172-I418 PolarHBondContact N-O 3.08Å; L172-K419 HydrophobicContact CB-CG 4.46Å; L172-K419 CarbonylContact O-C 3.55Å; L172-K419 WeakPolarHBondContact O-CA 3.24Å; L172-W420 PolarHBondContact O-N 3.1Å |
| 173 | F | 97.6 | Very high | 95.4 | Very high | 54 Ų | 54 | 53.9 Ų | 53.9 | 24% | 0.237 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 129.8 | 173.8 | -52.1 | -98.7 | 0 | 0 | 0 | 109.5 | E171 M201 K202 Y204 W420 | E171-F173 HydrophobicContact CB-CE2 3.76Å; E171-F173 HydrophobicContact CB-CZ 4.19Å; F173-M201 CarbonylContact O-C 3.59Å; F173-M201 WeakPolarHBondContact O-CA 3.44Å; F173-K202 HydrophobicContact CB-CB 4.14Å; F173-K202 HydrophobicContact CD2-CB 4.26Å; F173-K202 PolarHBondContact N-O 3.41Å; F173-K202 PolarHBondContact O-N 3.28Å; F173-Y204 HydrophobicContact CD2-CD2 4.16Å; F173-Y204 HydrophobicContact CD2-CE2 4.08Å; F173-Y204 AromaticContact CE2-CD2 3.87Å; F173-Y204 HydrophobicContact CE2-CD2 3.87Å; F173-Y204 AromaticContact CE2-CE2 3.95Å; F173-Y204 HydrophobicContact CE2-CE2 3.95Å; F173-W420 HydrophobicContact CD1-CB 3.6Å; F173-W420 AromaticContact CD1-CD1 3.56Å; F173-W420 AromaticContact CD1-CG 3.72Å; F173-W420 HydrophobicContact CD1-CG 3.72Å; F173-W420 HydrophobicContact CE1-CB 4.16Å; F173-W420 AromaticContact CE1-CD1 3.22Å; F173-W420 AromaticContact CE1-CG 3.74Å; F173-W420 HydrophobicContact CE1-CG 3.74Å; F173-W420 AromaticContact CE1-NE1 3.78Å; F173-W420 HydrophobicContact CG-CB 4.36Å; F173-W420 AromaticContact CZ-CD1 3.9Å |
| 174 | L | 97.4 | Very high | 95.8 | Very high | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 126.2 | 175.9 | -69.4 | -178.5 | 0 | 0 | 0 | 110.9 | V199 M201 F213 V400 L403 W420 V421 R422 | L174-V199 HydrophobicContact CD2-CG1 4.13Å; L174-M201 HydrophobicContact CD2-CB 3.74Å; L174-M201 HydrophobicContact CD2-CG 3.69Å; L174-M201 HydrophobicContact CD2-SD 3.97Å; L174-F213 HydrophobicContact CD1-CD2 4.09Å; L174-F213 HydrophobicContact CD1-CE2 3.96Å; L174-V400 HydrophobicContact CD1-CG1 4.36Å; L174-V400 HydrophobicContact CD1-CG2 4.46Å; L174-L403 HydrophobicContact CD1-CD2 3.75Å; L174-L403 HydrophobicContact CD1-CG 4.49Å; L174-L403 HydrophobicContact CG-CD2 4.15Å; L174-W420 PolarHBondContact N-O 3.05Å; L174-V421 HydrophobicContact CB-CB 4.39Å; L174-V421 HydrophobicContact CB-CG2 4.2Å; L174-V421 CarbonylContact O-C 3.57Å; L174-V421 VanDerWaalsContact O-CA 3.3Å; L174-V421 WeakPolarHBondContact O-CA 3.43Å; L174-R422 PolarHBondContact O-N 3.45Å |
| 175 | D | 97.8 | Very high | 96 | Very high | 9 Ų | 9 | 45.5 Ų | 45.5 | 5% | 0.048 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 107.5 | 175.7 | -62.7 | -14 | 0 | 0 | 0 | 108.9 | L177 V199 V200 R422 | D175-L177 HydrophobicContact CB-CD2 4.19Å; D175-L177 HydrophobicContact CB-CG 4.13Å; D175-L177 PolarHBondContact O-N 3.25Å; D175-V199 WeakPolarHBondContact O-CA 3.25Å; D175-V200 HydrophobicContact CB-CB 4.21Å; D175-V200 PolarHBondContact N-O 2.92Å; D175-V200 PolarHBondContact O-N 3.32Å; D175-R422 HydrophobicContact CB-CG 4.37Å; D175-R422 WeakPolarHBondContact OD1-CD 3.19Å; D175-R422 WeakPolarHBondContact OD1-CG 3.4Å; D175-R422 IonicContact OD1-CZ 2.66Å; D175-R422 IonicContact OD1-NE 3.33Å; D175-R422 PolarHBondContact OD1-NE 3.24Å; D175-R422 IonicContact OD1-NH2 2.71Å; D175-R422 IonicContact OD2-CZ 3.24Å; D175-R422 VanDerWaalsContact OD2-CZ 3.32Å; D175-R422 IonicContact OD2-NE 2.78Å; D175-R422 PolarHBondContact OD2-NE 2.94Å; D175-R422 IonicContact OD2-NH2 2.69Å; D175-R422 PolarHBondContact OD2-NH2 3.46Å |
| 176 | V | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 102.7 | 170.5 | -178.3 | 0 | 0 | 0 | 0 | 107.6 | E178 Y276 A394 L398 V400 V421 R422 Y423 I424 | V176-E178 HydrophobicContact CG1-CG 4.43Å; V176-Y276 VanDerWaalsContact CG1-OH 3.24Å; V176-Y276 WeakPolarHBondContact CG1-OH 3.46Å; V176-A394 HydrophobicContact CG1-CB 4.38Å; V176-L398 HydrophobicContact CG1-CD2 3.91Å; V176-L398 HydrophobicContact CG2-CD2 4.05Å; V176-V400 HydrophobicContact CG2-CG2 4.23Å; V176-V421 HydrophobicContact CG2-CG2 4.48Å; V176-R422 PolarHBondContact N-O 2.95Å; V176-Y423 HydrophobicContact CB-CD1 3.58Å; V176-Y423 HydrophobicContact CB-CE1 4Å; V176-Y423 HydrophobicContact CB-CG 4.38Å; V176-Y423 HydrophobicContact CG1-CD1 3.86Å; V176-Y423 HydrophobicContact CG1-CE1 4.27Å; V176-Y423 HydrophobicContact CG2-CD1 3.86Å; V176-Y423 HydrophobicContact CG2-CE1 3.73Å; V176-I424 PolarHBondContact O-N 3.22Å |
| 177 | L | 98.1 | Very high | 95.2 | Very high | 29 Ų | 29 | 46 Ų | 46 | 15% | 0.152 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 118.4 | -176.1 | -56.9 | 179.3 | 0 | 0 | 0 | 109.7 | D175 G197 R198 V200 I424 | D175-L177 HydrophobicContact CB-CD2 4.19Å; D175-L177 HydrophobicContact CB-CG 4.13Å; D175-L177 PolarHBondContact O-N 3.25Å; L177-G197 CarbonylContact O-C 3.58Å; L177-G197 WeakPolarHBondContact O-CA 3.28Å; L177-R198 HydrophobicContact CB-CG 3.95Å; L177-R198 PolarHBondContact N-O 3.42Å; L177-R198 PolarHBondContact O-N 3.02Å; L177-V200 HydrophobicContact CD1-CG2 4.05Å; L177-I424 WeakPolarHBondContact CA-O 3.28Å; L177-I424 HydrophobicContact CD2-CB 3.8Å; L177-I424 HydrophobicContact CD2-CD1 3.88Å; L177-I424 HydrophobicContact CD2-CG1 4.15Å |
| 178 | E | 97.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 135.1 | -176.5 | -75.2 | -171 | 169.7 | 0 | 0 | 111.8 | V176 V195 Y276 A394 P395 S396 I424 G425 R426 | V176-E178 HydrophobicContact CG1-CG 4.43Å; E178-V195 HydrophobicContact CB-CG1 3.73Å; E178-V195 HydrophobicContact CG-CG1 3.78Å; E178-Y276 VanDerWaalsContact CD-OH 3.31Å; E178-Y276 HydrophobicContact CG-CE2 4.45Å; E178-Y276 VanDerWaalsContact CG-OH 3.27Å; E178-Y276 WeakPolarHBondContact CG-OH 3.18Å; E178-Y276 VanDerWaalsContact OE1-CE2 3.3Å; E178-Y276 WeakPolarHBondContact OE1-CE2 3.4Å; E178-Y276 PolarHBondContact OE1-OH 2.87Å; E178-A394 WeakPolarHBondContact OE2-CA 3.25Å; E178-A394 WeakPolarHBondContact OE2-CB 3.46Å; E178-P395 WeakPolarHBondContact OE2-CD 3.29Å; E178-S396 VanDerWaalsContact CD-OG 3.31Å; E178-S396 WeakPolarHBondContact OE1-CB 3.24Å; E178-S396 PolarHBondContact OE1-OG 2.79Å; E178-S396 PolarHBondContact OE2-N 2.89Å; E178-S396 PolarHBondContact OE2-OG 2.84Å; E178-I424 PolarHBondContact N-O 3.32Å; E178-G425 CarbonylContact O-C 3.59Å; E178-G425 WeakPolarHBondContact O-CA 3.39Å; E178-R426 VanDerWaalsContact O-CG 3.3Å; E178-R426 WeakPolarHBondContact O-CG 3.19Å; E178-R426 PolarHBondContact O-N 3.15Å |
| 179 | S | 97.8 | Very high | 94.4 | Very high | 22 Ų | 22 | 37.6 Ų | 37.6 | 15% | 0.154 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 116.9 | 175.4 | -170.4 | 0 | 0 | 0 | 0 | 109.3 | V195 S196 R426 G428 | S179-V195 WeakPolarHBondContact O-CA 3.48Å; S179-S196 PolarHBondContact N-O 3.38Å; S179-S196 PolarHBondContact O-N 3.48Å; S179-R426 CarbonylContact C-O 3.58Å; S179-R426 WeakPolarHBondContact CA-O 3.37Å; S179-G428 WeakPolarHBondContact OG-CA 3.43Å; S179-G428 PolarHBondContact OG-N 2.59Å |
| 180 | V | 97 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 115.2 | 179.1 | -169.6 | 0 | 0 | 0 | 0 | 109.3 | V195 L284 P395 R426 G428 Y430 | V180-V195 HydrophobicContact CG2-CG2 4.35Å; V180-L284 HydrophobicContact CG1-CD2 4.19Å; V180-P395 HydrophobicContact CG2-CB 3.42Å; V180-P395 VanDerWaalsContact CG2-CB 3.42Å; V180-P395 HydrophobicContact CG2-CG 3.29Å; V180-R426 PolarHBondContact N-O 2.9Å; V180-G428 PolarHBondContact O-N 2.85Å; V180-Y430 HydrophobicContact CB-CD2 4.33Å; V180-Y430 HydrophobicContact CG1-CD2 4.13Å; V180-Y430 HydrophobicContact CG1-CE2 3.99Å |
| 181 | N | 96.8 | Very high | 94.1 | Very high | 21 Ų | 21 | 35.5 Ų | 35.5 | 11% | 0.112 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 121.6 | 170.5 | -60 | -55.4 | 0 | 0 | 0 | 108.3 | A193 H194 G428 I429 | N181-A193 CarbonylContact O-C 3.55Å; N181-A193 VanDerWaalsContact O-CA 3.28Å; N181-A193 WeakPolarHBondContact O-CA 3.21Å; N181-H194 WeakPolarHBondContact CB-CE1 3.33Å; N181-H194 PolarHBondContact N-O 2.85Å; N181-H194 PolarHBondContact ND2-CD2 3.39Å; N181-H194 PolarHBondContact ND2-NE2 2.82Å; N181-H194 PolarHBondContact O-N 2.84Å; N181-G428 WeakPolarHBondContact OD1-CA 3.28Å; N181-I429 CarbonylContact C-O 3.56Å; N181-I429 VanDerWaalsContact CA-O 3.24Å; N181-I429 WeakPolarHBondContact CA-O 3.39Å; N181-I429 PolarHBondContact OD1-N 2.79Å |
| 182 | L | 96.3 | Very high | 94 | Very high | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 131.9 | -179.5 | -178.9 | 71.6 | 0 | 0 | 0 | 109.5 | M184 V190 S192 A193 L284 I429 Y430 E431 | L182-M184 HydrophobicContact CD2-CB 4.44Å; L182-V190 HydrophobicContact CD1-CB 4.46Å; L182-V190 HydrophobicContact CD1-CG1 3.7Å; L182-V190 HydrophobicContact CD1-CG2 4.15Å; L182-S192 CarbonylContact C-O 3.6Å; L182-S192 WeakPolarHBondContact CA-O 3.42Å; L182-A193 HydrophobicContact CD1-CB 3.92Å; L182-L284 HydrophobicContact CD1-CD1 3.83Å; L182-L284 HydrophobicContact CD1-CD2 3.87Å; L182-L284 HydrophobicContact CD2-CD1 4.34Å; L182-L284 HydrophobicContact CD2-CD2 4.47Å; L182-I429 PolarHBondContact N-O 2.92Å; L182-I429 VanDerWaalsContact O-O 3.06Å; L182-Y430 HydrophobicContact CB-CD2 3.59Å; L182-Y430 HydrophobicContact CB-CE2 3.65Å; L182-Y430 HydrophobicContact CB-CG 4.09Å; L182-Y430 HydrophobicContact CD2-CD1 4.28Å; L182-Y430 HydrophobicContact CD2-CD2 4.24Å; L182-Y430 HydrophobicContact CD2-CE1 3.66Å; L182-Y430 HydrophobicContact CD2-CE2 3.6Å; L182-Y430 WeakPolarHBondContact CD2-OH 3.33Å; L182-Y430 HydrophobicContact CG-CE2 4.25Å; L182-E431 PolarHBondContact O-N 3.12Å |
| 183 | L | 95.8 | Very high | 94 | Very high | 42 Ų | 42 | 37 Ų | 37 | 22% | 0.22 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 120.4 | 161 | 178.6 | 65.3 | 0 | 0 | 0 | 108.3 | L191 S192 E431 R433 | L183-L191 HydrophobicContact CD2-CB 4.38Å; L183-L191 HydrophobicContact CD2-CD1 4.33Å; L183-L191 HydrophobicContact CG-CB 4.28Å; L183-L191 HydrophobicContact CG-CD1 4.23Å; L183-L191 WeakPolarHBondContact O-CA 3.41Å; L183-L191 WeakPolarHBondContact O-CB 3.48Å; L183-L191 PolarHBondContact O-N 2.81Å; L183-S192 PolarHBondContact N-O 3.04Å; L183-S192 PolarHBondContact O-N 2.8Å; L183-S192 VanDerWaalsContact O-N 3.14Å; L183-E431 CarbonylContact C-O 3.52Å; L183-E431 WeakPolarHBondContact CA-O 3.23Å; L183-E431 HydrophobicContact CD1-CB 4.3Å; L183-R433 HydrophobicContact CD1-CG 4.15Å |
| 184 | M | 94.2 | Very high | 93.9 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.02 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 144 | 179.6 | -164.8 | 166.8 | 64.2 | 0 | 0 | 111 | L182 Q189 R287 V288 E431 T432 R433 | L182-M184 HydrophobicContact CD2-CB 4.44Å; M184-Q189 VanDerWaalsContact CG-O 3.3Å; M184-Q189 WeakPolarHBondContact CG-O 3.45Å; M184-R287 HydrophobicContact CE-CG 4.27Å; M184-R287 HydrophobicContact SD-CG 4.44Å; M184-V288 WeakPolarHBondContact CE-O 3.02Å; M184-E431 PolarHBondContact N-O 2.62Å; M184-T432 HydrophobicContact CB-CG2 4.09Å; M184-T432 HydrophobicContact CE-CG2 3.56Å; M184-T432 WeakPolarHBondContact CE-OG1 3.43Å; M184-T432 HydrophobicContact CG-CG2 4.45Å; M184-R433 PolarHBondContact O-N 3.31Å |
| 185 | S | 91.6 | Very high | 93.9 | Very high | 6 Ų | 6 | 36.7 Ų | 36.7 | 4% | 0.042 | 20% | 0.202 | C | C | . | . | trans | -70.1 | 163.4 | 172.1 | 62.4 | 0 | 0 | 0 | 0 | 111.5 | Q187 G188 Q189 | S185-Q187 PolarHBondContact O-N 2.7Å; S185-G188 PolarHBondContact O-N 2.86Å; S185-G188 PolarHBondContact OG-N 2.78Å; S185-Q189 PolarHBondContact N-O 3.44Å; S185-Q189 WeakPolarHBondContact OG-CA 3.23Å; S185-Q189 WeakPolarHBondContact OG-CB 3.2Å; S185-Q189 PolarHBondContact OG-N 2.92Å; S185-Q189 PolarHBondContact OG-O 2.82Å | ||
| 186 | P | 83.2 | Confident | 93.9 | Very high | 49 Ų | 49 | 37.8 Ų | 37.8 | 32% | 0.318 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -29.8 | 174.6 | -21.3 | 33.1 | 0 | 0 | 0 | 113.5 | G188 R433 | P186-G188 PolarHBondContact O-N 2.67Å; P186-R433 VanDerWaalsContact CA-O 3.23Å; P186-R433 WeakPolarHBondContact CA-O 3.4Å; P186-R433 HydrophobicContact CG-CB 3.93Å |
| 187 | Q | 84 | Confident | 93.8 | Very high | 158 Ų | 158 | 37.9 Ų | 37.9 | 74% | 0.738 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -3.2 | 178 | -61.5 | 74.5 | 18.9 | 0 | 0 | 112.7 | S185 | S185-Q187 PolarHBondContact O-N 2.7Š|
| 188 | G | 82.6 | Confident | 93.8 | Very high | 13 Ų | 13 | 40.6 Ų | 40.6 | 13% | 0.134 | 22% | 0.219 | C | C | . | . | S | Bend | trans | 82.8 | 14.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | S185 P186 R287 | S185-G188 PolarHBondContact O-N 2.86Å; S185-G188 PolarHBondContact OG-N 2.78Å; P186-G188 PolarHBondContact O-N 2.67Å; G188-R287 PolarHBondContact O-NH2 2.87Å |
| 189 | Q | 90.9 | Very high | 93.8 | Very high | 135 Ų | 135 | 40.6 Ų | 40.6 | 63% | 0.631 | 22% | 0.219 | S | C | * | . | trans | -81.3 | 131.5 | 167.6 | -178.1 | -174.6 | -4.6 | 0 | 0 | 109.9 | M184 S185 L191 | M184-Q189 VanDerWaalsContact CG-O 3.3Å; M184-Q189 WeakPolarHBondContact CG-O 3.45Å; S185-Q189 PolarHBondContact N-O 3.44Å; S185-Q189 WeakPolarHBondContact OG-CA 3.23Å; S185-Q189 WeakPolarHBondContact OG-CB 3.2Å; S185-Q189 PolarHBondContact OG-N 2.92Å; S185-Q189 PolarHBondContact OG-O 2.82Å; Q189-L191 PolarHBondContact O-N 3.29Å | ||
| 190 | V | 93.2 | Very high | 93.8 | Very high | 63 Ų | 63 | 39.9 Ų | 39.9 | 38% | 0.382 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 119.3 | 174.8 | 178.8 | 0 | 0 | 0 | 0 | 109.5 | L182 A193 L284 | L182-V190 HydrophobicContact CD1-CB 4.46Å; L182-V190 HydrophobicContact CD1-CG1 3.7Å; L182-V190 HydrophobicContact CD1-CG2 4.15Å; V190-A193 HydrophobicContact CG1-CB 3.71Å; V190-L284 HydrophobicContact CG2-CD1 3.67Å |
| 191 | L | 93.9 | Very high | 93.8 | Very high | 84 Ų | 84 | 39.9 Ų | 39.9 | 44% | 0.44 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | -38.3 | 177.3 | -60.7 | 177 | 0 | 0 | 0 | 111.5 | L183 Q189 | L183-L191 HydrophobicContact CD2-CB 4.38Å; L183-L191 HydrophobicContact CD2-CD1 4.33Å; L183-L191 HydrophobicContact CG-CB 4.28Å; L183-L191 HydrophobicContact CG-CD1 4.23Å; L183-L191 WeakPolarHBondContact O-CA 3.41Å; L183-L191 WeakPolarHBondContact O-CB 3.48Å; L183-L191 PolarHBondContact O-N 2.81Å; Q189-L191 PolarHBondContact O-N 3.29Å |
| 192 | S | 94.8 | Very high | 93.8 | Very high | 60 Ų | 60 | 41.4 Ų | 41.4 | 42% | 0.42 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 132.4 | 175.4 | 165.2 | 0 | 0 | 0 | 0 | 108.9 | L182 L183 | L182-S192 CarbonylContact C-O 3.6Å; L182-S192 WeakPolarHBondContact CA-O 3.42Å; L183-S192 PolarHBondContact N-O 3.04Å; L183-S192 PolarHBondContact O-N 2.8Å; L183-S192 VanDerWaalsContact O-N 3.14Å |
| 193 | A | 95.2 | Very high | 93.8 | Very high | 23 Ų | 23 | 41.2 Ų | 41.2 | 19% | 0.19 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 130.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | N181 L182 V190 I282 L284 | N181-A193 CarbonylContact O-C 3.55Å; N181-A193 VanDerWaalsContact O-CA 3.28Å; N181-A193 WeakPolarHBondContact O-CA 3.21Å; L182-A193 HydrophobicContact CD1-CB 3.92Å; V190-A193 HydrophobicContact CG1-CB 3.71Å; A193-I282 HydrophobicContact CB-CD1 4.23Å; A193-L284 HydrophobicContact CB-CD2 4.43Å |
| 194 | H | 95.9 | Very high | 93.9 | Very high | 50 Ų | 50 | 43 Ų | 43 | 23% | 0.231 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 150.8 | 168.8 | 69 | -85.9 | 0 | 0 | 0 | 110.6 | N181 T278 T279 I282 | N181-H194 WeakPolarHBondContact CB-CE1 3.33Å; N181-H194 PolarHBondContact N-O 2.85Å; N181-H194 PolarHBondContact ND2-CD2 3.39Å; N181-H194 PolarHBondContact ND2-NE2 2.82Å; N181-H194 PolarHBondContact O-N 2.84Å; H194-T278 CarbonylContact C-O 3.52Å; H194-T278 WeakPolarHBondContact CA-O 3.42Å; H194-T279 HydrophobicContact CB-CG2 3.82Å; H194-I282 VanDerWaalsContact CA-CD1 3.47Å |
| 195 | V | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 124.9 | 173 | 176.4 | 0 | 0 | 0 | 0 | 108.4 | E178 S179 V180 R277 T278 I282 P395 | E178-V195 HydrophobicContact CB-CG1 3.73Å; E178-V195 HydrophobicContact CG-CG1 3.78Å; S179-V195 WeakPolarHBondContact O-CA 3.48Å; V180-V195 HydrophobicContact CG2-CG2 4.35Å; V195-R277 WeakPolarHBondContact O-CA 3.49Å; V195-T278 PolarHBondContact N-O 2.93Å; V195-T278 PolarHBondContact O-N 2.93Å; V195-I282 HydrophobicContact CG2-CB 4.34Å; V195-I282 HydrophobicContact CG2-CD1 4.07Å; V195-I282 HydrophobicContact CG2-CG1 3.92Å; V195-I282 HydrophobicContact CG2-CG2 3.49Å; V195-I282 VanDerWaalsContact CG2-CG2 3.49Å; V195-P395 HydrophobicContact CG2-CB 4.01Å |
| 196 | S | 97.4 | Very high | 94.2 | Very high | 31 Ų | 31 | 43 Ų | 43 | 22% | 0.217 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 108.3 | 164.8 | -65.2 | 0 | 0 | 0 | 0 | 108.5 | S179 | S179-S196 PolarHBondContact N-O 3.38Å; S179-S196 PolarHBondContact O-N 3.48Å |
| 197 | G | 97 | Very high | 94.7 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 153.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L177 R275 Y276 | L177-G197 CarbonylContact O-C 3.58Å; L177-G197 WeakPolarHBondContact O-CA 3.28Å; G197-R275 CarbonylContact O-C 3.56Å; G197-R275 WeakPolarHBondContact O-CA 3.42Å; G197-R275 VanDerWaalsContact O-CG 3.24Å; G197-R275 WeakPolarHBondContact O-CG 3.3Å; G197-Y276 PolarHBondContact N-O 3.22Å; G197-Y276 PolarHBondContact O-N 2.83Å; G197-Y276 VanDerWaalsContact O-O 3.11Å |
| 198 | R | 97.4 | Very high | 95.2 | Very high | 86 Ų | 86 | 34.8 Ų | 34.8 | 33% | 0.325 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 148.1 | 167.8 | 61.7 | 174.8 | 178.8 | -179 | 6.7 | 110.7 | L177 V200 E272 M274 R275 | L177-R198 HydrophobicContact CB-CG 3.95Å; L177-R198 PolarHBondContact N-O 3.42Å; L177-R198 PolarHBondContact O-N 3.02Å; R198-V200 HydrophobicContact CG-CG2 4.31Å; R198-E272 HydrophobicContact CB-CG 4.22Å; R198-E272 WeakPolarHBondContact CD-OE2 3.5Å; R198-E272 IonicContact NH1-OE2 3.14Å; R198-E272 PolarHBondContact NH1-OE2 3.13Å; R198-M274 CarbonylContact C-O 3.52Å; R198-M274 VanDerWaalsContact CA-O 3.3Å; R198-M274 WeakPolarHBondContact CA-O 3.44Å; R198-R275 HydrophobicContact CB-CG 4.37Å |
| 199 | V | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 107.4 | 174.9 | -175.2 | 0 | 0 | 0 | 0 | 107.4 | L174 D175 L273 M274 Y276 | L174-V199 HydrophobicContact CD2-CG1 4.13Å; D175-V199 WeakPolarHBondContact O-CA 3.25Å; V199-L273 PolarHBondContact O-N 2.8Å; V199-M274 HydrophobicContact CB-CG 3.77Å; V199-M274 HydrophobicContact CG2-CG 3.61Å; V199-M274 HydrophobicContact CG2-SD 4.06Å; V199-M274 PolarHBondContact N-O 2.75Å; V199-Y276 HydrophobicContact CG2-CE1 3.97Å |
| 200 | V | 97.9 | Very high | 96.1 | Very high | 8 Ų | 8 | 30.1 Ų | 30.1 | 5% | 0.048 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 130.7 | 174.3 | 179.7 | 0 | 0 | 0 | 0 | 108 | D175 L177 R198 E270 | D175-V200 HydrophobicContact CB-CB 4.21Å; D175-V200 PolarHBondContact N-O 2.92Å; D175-V200 PolarHBondContact O-N 3.32Å; L177-V200 HydrophobicContact CD1-CG2 4.05Å; R198-V200 HydrophobicContact CG-CG2 4.31Å; V200-E270 HydrophobicContact CG1-CG 3.76Å |
| 201 | M | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 136.7 | -177.9 | -178 | 167.4 | 178.4 | 0 | 0 | 109.5 | L172 F173 L174 F264 P266 E270 F271 | L172-M201 HydrophobicContact CD1-CE 3.73Å; L172-M201 HydrophobicContact CD2-CE 3.24Å; L172-M201 HydrophobicContact CG-CE 4Å; F173-M201 CarbonylContact O-C 3.59Å; F173-M201 WeakPolarHBondContact O-CA 3.44Å; L174-M201 HydrophobicContact CD2-CB 3.74Å; L174-M201 HydrophobicContact CD2-CG 3.69Å; L174-M201 HydrophobicContact CD2-SD 3.97Å; M201-F264 HydrophobicContact CE-CE2 4.15Å; M201-F264 HydrophobicContact CE-CZ 4.34Å; M201-F264 HydrophobicContact SD-CE2 3.67Å; M201-F264 HydrophobicContact SD-CZ 3.84Å; M201-P266 HydrophobicContact CE-CB 4.13Å; M201-P266 HydrophobicContact CE-CG 4.39Å; M201-P266 HydrophobicContact SD-CB 4.45Å; M201-E270 CarbonylContact O-C 3.58Å; M201-E270 WeakPolarHBondContact O-CA 3.3Å; M201-F271 HydrophobicContact CB-CD1 4.35Å; M201-F271 HydrophobicContact CB-CE1 3.79Å; M201-F271 HydrophobicContact CB-CZ 3.88Å; M201-F271 HydrophobicContact CG-CE1 3.82Å; M201-F271 HydrophobicContact CG-CZ 4.03Å; M201-F271 PolarHBondContact N-O 2.82Å; M201-F271 PolarHBondContact O-N 2.82Å; M201-F271 HydrophobicContact SD-CE1 4.01Å; M201-F271 HydrophobicContact SD-CZ 3.7Å |
| 202 | K | 97 | Very high | 96.2 | Very high | 52 Ų | 52 | 26.8 Ų | 26.8 | 23% | 0.226 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 114.1 | 167.3 | -53.8 | -176.6 | -176.8 | -140.5 | 0 | 108.1 | L172 F173 Y204 G269 E270 | L172-K202 WeakPolarHBondContact CA-O 3.36Å; F173-K202 HydrophobicContact CB-CB 4.14Å; F173-K202 HydrophobicContact CD2-CB 4.26Å; F173-K202 PolarHBondContact N-O 3.41Å; F173-K202 PolarHBondContact O-N 3.28Å; K202-Y204 HydrophobicContact CB-CE2 4.2Å; K202-G269 CarbonylContact C-O 3.55Å; K202-G269 WeakPolarHBondContact CA-O 3.24Å; K202-E270 WeakPolarHBondContact CE-OE2 3.27Å; K202-E270 HydrophobicContact CG-CB 4.04Å; K202-E270 HydrophobicContact CG-CG 4.02Å; K202-E270 IonicContact NZ-OE2 3.06Å; K202-E270 PolarHBondContact NZ-OE2 3.14Å |
| 203 | S | 96.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 113.5 | -174.7 | -179.2 | 0 | 0 | 0 | 0 | 111.1 | L172 L205 P267 G269 | L172-S203 WeakPolarHBondContact CD2-OG 3.37Å; S203-L205 WeakPolarHBondContact OG-CG 3.31Å; S203-P267 WeakPolarHBondContact CB-O 3.22Å; S203-G269 PolarHBondContact N-O 2.9Å; S203-G269 PolarHBondContact O-N 2.84Å |
| 204 | Y | 96.8 | Very high | 95.9 | Very high | 80 Ų | 80 | 23.2 Ų | 23.2 | 31% | 0.314 | 11% | 0.109 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 75.1 | 171.4 | -55.1 | -66.6 | 0 | 0 | 0 | 107.9 | Y167 N170 E171 F173 K202 | Y167-Y204 VanDerWaalsContact CD2-C 3.44Å; Y167-Y204 AromaticContact CE1-CD1 3.68Å; Y167-Y204 HydrophobicContact CE1-CD1 3.68Å; Y167-Y204 HydrophobicContact CE1-CG 4.15Å; Y167-Y204 AromaticContact CZ-CD1 3.8Å; N170-Y204 CarbonylContact C-O 3.53Å; N170-Y204 VanDerWaalsContact CA-O 3.32Å; N170-Y204 WeakPolarHBondContact CA-O 3.19Å; E171-Y204 PolarHBondContact N-O 3.32Å; E171-Y204 PolarHBondContact O-N 3Å; F173-Y204 HydrophobicContact CD2-CD2 4.16Å; F173-Y204 HydrophobicContact CD2-CE2 4.08Å; F173-Y204 AromaticContact CE2-CD2 3.87Å; F173-Y204 HydrophobicContact CE2-CD2 3.87Å; F173-Y204 AromaticContact CE2-CE2 3.95Å; F173-Y204 HydrophobicContact CE2-CE2 3.95Å; K202-Y204 HydrophobicContact CB-CE2 4.2Å |
| 205 | L | 96.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | trans | -120.4 | 143.8 | -173.7 | -65.5 | -177.4 | 0 | 0 | 0 | 110.5 | R161 I165 Y167 N170 L172 S203 P209 P266 V405 V417 | R161-L205 PolarHBondContact NH2-O 3.12Å; I165-L205 WeakPolarHBondContact CG2-O 3.38Å; Y167-L205 VanDerWaalsContact CD2-C 3.46Å; Y167-L205 VanDerWaalsContact CD2-O 3.28Å; Y167-L205 WeakPolarHBondContact CD2-O 3.04Å; Y167-L205 WeakPolarHBondContact CE2-O 3.43Å; N170-L205 HydrophobicContact CB-CD2 3.82Å; L172-L205 HydrophobicContact CD1-CD1 4.09Å; L172-L205 HydrophobicContact CD1-CD2 4.46Å; L172-L205 HydrophobicContact CD2-CD1 3.65Å; L172-L205 HydrophobicContact CD2-CD2 4.02Å; L172-L205 HydrophobicContact CD2-CG 3.67Å; L172-L205 HydrophobicContact CG-CD1 4.1Å; L172-L205 HydrophobicContact CG-CD2 3.95Å; L172-L205 HydrophobicContact CG-CG 4.15Å; S203-L205 WeakPolarHBondContact OG-CG 3.31Å; L205-P209 HydrophobicContact CB-CG 3.78Å; L205-P209 HydrophobicContact CD1-CB 4.09Å; L205-P209 HydrophobicContact CD1-CG 3.44Å; L205-P209 VanDerWaalsContact CD1-CG 3.44Å; L205-P209 HydrophobicContact CG-CG 4.27Å; L205-P266 HydrophobicContact CD1-CG 4.13Å; L205-V405 HydrophobicContact CD1-CG1 3.99Å; L205-V417 HydrophobicContact CD2-CG1 3.78Å; L205-V417 HydrophobicContact CD2-CG2 4.15Å | ||
| 206 | S | 96.3 | Very high | 95.3 | Very high | 10 Ų | 10 | 21.8 Ų | 21.8 | 7% | 0.07 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -82.7 | 149 | 175.8 | -52.4 | 0 | 0 | 0 | 0 | 111.3 | I165 Y167 N170 Y412 | I165-S206 CarbonylContact O-C 3.53Å; I165-S206 WeakPolarHBondContact O-CA 3.36Å; Y167-S206 PolarHBondContact N-OG 3.39Å; Y167-S206 PolarHBondContact O-OG 3.43Å; N170-S206 WeakPolarHBondContact OD1-CB 3.46Å; N170-S206 PolarHBondContact OD1-N 3.42Å; N170-S206 PolarHBondContact OD1-OG 2.66Å; S206-Y412 PolarHBondContact N-OH 2.9Å; S206-Y412 WeakPolarHBondContact O-CE1 3.34Å; S206-Y412 PolarHBondContact O-OH 3.11Å |
| 207 | G | 94.1 | Very high | 94.6 | Very high | 8 Ų | 8 | 20.7 Ų | 20.7 | 8% | 0.082 | 10% | 0.095 | C | C | . | . | S | Bend | trans | 73.6 | -145.6 | 176 | 0 | 0 | 0 | 0 | 0 | 114.3 | R161 I165 P209 | R161-G207 VanDerWaalsContact CZ-O 3.26Å; R161-G207 PolarHBondContact NE-O 2.71Å; R161-G207 PolarHBondContact NH2-O 3.12Å; I165-G207 PolarHBondContact O-N 3.18Å; G207-P209 VanDerWaalsContact C-CD 3.42Å; G207-P209 WeakPolarHBondContact O-CD 3.4Å |
| 208 | M | 94.3 | Very high | 93.6 | Very high | 26 Ų | 26 | 24.4 Ų | 24.4 | 13% | 0.128 | 11% | 0.111 | C | C | . | . | trans | -123.9 | 62.2 | -176.7 | -66.2 | -63.8 | -75.2 | 0 | 0 | 111.6 | I158 R161 R162 E163 I265 E407 | I158-M208 HydrophobicContact CB-CE 4.31Å; I158-M208 HydrophobicContact CD1-CE 4Å; I158-M208 HydrophobicContact CG2-CE 3.82Å; R161-M208 HydrophobicContact CB-CE 4.1Å; R161-M208 HydrophobicContact CB-SD 4.1Å; R161-M208 VanDerWaalsContact CD-SD 3.55Å; R161-M208 HydrophobicContact CG-CE 4.3Å; R161-M208 HydrophobicContact CG-SD 3.66Å; R162-M208 VanDerWaalsContact O-SD 3.41Å; E163-M208 HydrophobicContact CG-CG 3.98Å; E163-M208 HydrophobicContact CG-SD 4.23Å; M208-I265 HydrophobicContact CE-CG2 4.28Å; M208-E407 VanDerWaalsContact CA-OE2 3.25Å; M208-E407 WeakPolarHBondContact CA-OE2 3.4Å; M208-E407 PolarHBondContact N-OE2 2.83Å | ||
| 209 | P | 96.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | -71.7 | 138.6 | -167.6 | 27.3 | -36.3 | 0 | 0 | 0 | 111.8 | L205 G207 P266 V405 F406 E407 | L205-P209 HydrophobicContact CB-CG 3.78Å; L205-P209 HydrophobicContact CD1-CB 4.09Å; L205-P209 HydrophobicContact CD1-CG 3.44Å; L205-P209 VanDerWaalsContact CD1-CG 3.44Å; L205-P209 HydrophobicContact CG-CG 4.27Å; G207-P209 VanDerWaalsContact C-CD 3.42Å; G207-P209 WeakPolarHBondContact O-CD 3.4Å; P209-P266 HydrophobicContact CG-CG 4.41Å; P209-P266 WeakPolarHBondContact O-CD 3.33Å; P209-V405 HydrophobicContact CB-CG1 3.96Å; P209-F406 CarbonylContact C-O 3.54Å; P209-F406 WeakPolarHBondContact CA-O 3.5Å; P209-E407 VanDerWaalsContact CA-OE2 3.28Å; P209-E407 WeakPolarHBondContact CA-OE2 3.45Å; P209-E407 HydrophobicContact CB-CB 4.25Å; P209-E407 WeakPolarHBondContact CD-OE2 3.39Å | ||
| 210 | E | 95.4 | Very high | 91.1 | Very high | 50 Ų | 50 | 24.7 Ų | 24.7 | 23% | 0.234 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 121.3 | 167.2 | -171.1 | 169.2 | 156.1 | 0 | 0 | 109.4 | R252 K255 S263 F406 | E210-R252 IonicContact OE1-NH1 3.85Å; E210-R252 IonicContact OE2-CZ 3.21Å; E210-R252 IonicContact OE2-NH1 2.8Å; E210-R252 PolarHBondContact OE2-NH1 3.4Å; E210-R252 IonicContact OE2-NH2 3.36Å; E210-R252 PolarHBondContact OE2-NH2 2.86Å; E210-K255 IonicContact OE1-NZ 3.98Å; E210-K255 PolarHBondContact OE1-NZ 2.8Å; E210-K255 VanDerWaalsContact OE1-NZ 3.14Å; E210-S263 PolarHBondContact OE1-OG 3.22Å; E210-F406 PolarHBondContact N-O 3.42Å; E210-F406 PolarHBondContact O-N 3.41Å |
| 211 | C | 96 | Very high | 89.6 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 144.8 | 176.6 | -65.5 | 0 | 0 | 0 | 0 | 110.9 | S263 F264 K404 | C211-S263 WeakPolarHBondContact O-CA 3.28Å; C211-F264 HydrophobicContact CB-CD1 4.26Å; C211-F264 HydrophobicContact CB-CD2 4.15Å; C211-F264 HydrophobicContact CB-CE1 3.87Å; C211-F264 HydrophobicContact CB-CE2 3.76Å; C211-F264 HydrophobicContact CB-CG 4.39Å; C211-F264 HydrophobicContact CB-CZ 3.61Å; C211-F264 PolarHBondContact N-O 3.23Å; C211-F264 PolarHBondContact O-N 3.48Å; C211-K404 CarbonylContact C-O 3.57Å; C211-K404 WeakPolarHBondContact CA-O 3.47Å |
| 212 | K | 94.4 | Very high | 88.2 | Confident | 77 Ų | 77 | 31.8 Ų | 31.8 | 34% | 0.335 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 120.7 | 168.8 | -60.6 | -171.1 | -179.7 | -172.6 | 0 | 110.5 | I262 Y402 L403 K404 | K212-I262 CarbonylContact C-O 3.51Å; K212-I262 VanDerWaalsContact CA-O 3.31Å; K212-I262 WeakPolarHBondContact CA-O 3.42Å; K212-Y402 HydrophobicContact CB-CE2 4.45Å; K212-L403 CarbonylContact O-C 3.54Å; K212-L403 WeakPolarHBondContact O-CA 3.28Å; K212-K404 HydrophobicContact CB-CB 4.26Å; K212-K404 PolarHBondContact N-O 3.18Å; K212-K404 PolarHBondContact O-N 2.82Å |
| 213 | F | 93.4 | Very high | 86.7 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 0% | 0.004 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 130.6 | 178.7 | 173.3 | -101.1 | 0 | 0 | 0 | 110.5 | L174 M215 I262 F264 L273 M274 V400 L403 | L174-F213 HydrophobicContact CD1-CD2 4.09Å; L174-F213 HydrophobicContact CD1-CE2 3.96Å; F213-M215 HydrophobicContact CE1-CB 4.19Å; F213-M215 HydrophobicContact CE1-CG 4.44Å; F213-M215 HydrophobicContact CE1-SD 4.04Å; F213-M215 HydrophobicContact CZ-CB 4.33Å; F213-I262 HydrophobicContact CB-CB 4.23Å; F213-I262 HydrophobicContact CB-CG2 4.34Å; F213-I262 HydrophobicContact CD1-CB 4.3Å; F213-I262 HydrophobicContact CD1-CD1 3.64Å; F213-I262 HydrophobicContact CE1-CD1 4.12Å; F213-I262 PolarHBondContact N-O 3Å; F213-I262 PolarHBondContact O-N 3.3Å; F213-F264 HydrophobicContact CB-CE1 3.81Å; F213-F264 HydrophobicContact CB-CZ 4.46Å; F213-L273 HydrophobicContact CB-CD2 4.44Å; F213-L273 HydrophobicContact CG-CD2 4.39Å; F213-M274 HydrophobicContact CD1-SD 4.49Å; F213-M274 HydrophobicContact CE1-SD 3.94Å; F213-V400 HydrophobicContact CD2-CG1 4.14Å; F213-V400 HydrophobicContact CE2-CB 4.18Å; F213-V400 HydrophobicContact CE2-CG1 3.65Å; F213-V400 HydrophobicContact CE2-CG2 3.63Å; F213-V400 HydrophobicContact CZ-CG2 4.04Å; F213-L403 HydrophobicContact CB-CD1 4.21Å; F213-L403 HydrophobicContact CD2-CD1 4.34Å |
| 214 | G | 90.1 | Very high | 85.1 | Confident | 6 Ų | 6 | 41.3 Ų | 41.3 | 6% | 0.062 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 135.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | R401 Y402 | G214-R401 PolarHBondContact O-N 3Å; G214-Y402 PolarHBondContact N-O 2.85Å; G214-Y402 PolarHBondContact O-N 3.29Å |
| 215 | M | 90.6 | Very high | 83.2 | Confident | 13 Ų | 13 | 40 Ų | 40 | 6% | 0.064 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 168.2 | 178.1 | 60.7 | -166.2 | 153.1 | 0 | 0 | 111.4 | F213 D217 I242 I262 M274 L398 K399 R401 | F213-M215 HydrophobicContact CE1-CB 4.19Å; F213-M215 HydrophobicContact CE1-CG 4.44Å; F213-M215 HydrophobicContact CE1-SD 4.04Å; F213-M215 HydrophobicContact CZ-CB 4.33Å; M215-D217 HydrophobicContact CG-CB 4.19Å; M215-D217 PolarHBondContact O-N 2.79Å; M215-I242 HydrophobicContact CE-CD1 3.81Å; M215-I242 HydrophobicContact SD-CD1 3.67Å; M215-I262 HydrophobicContact CE-CD1 3.49Å; M215-I262 VanDerWaalsContact CE-CD1 3.49Å; M215-M274 HydrophobicContact CE-CE 3.93Å; M215-M274 HydrophobicContact CE-SD 4.18Å; M215-M274 HydrophobicContact SD-CE 4.22Å; M215-M274 HydrophobicContact SD-SD 4.25Å; M215-L398 HydrophobicContact SD-CD1 4.03Å; M215-K399 WeakPolarHBondContact CA-O 3.46Å; M215-R401 WeakPolarHBondContact O-CD 3.43Å |
| 216 | N | 89.3 | Confident | 81.1 | Confident | 8 Ų | 8 | 49.5 Ų | 49.5 | 4% | 0.043 | 25% | 0.247 | C | C | . | . | trans | -76.3 | 43.7 | 177.1 | 64 | -33.5 | 0 | 0 | 0 | 113.4 | K218 I221 Q238 S239 I240 G397 K399 R401 | N216-K218 PolarHBondContact O-N 2.74Å; N216-I221 HydrophobicContact CB-CD1 3.98Å; N216-I221 WeakPolarHBondContact O-CD1 3.07Å; N216-Q238 PolarHBondContact ND2-O 3.47Å; N216-S239 CarbonylContact O-C 3.32Å; N216-S239 VanDerWaalsContact O-CA 3.3Å; N216-S239 WeakPolarHBondContact O-CA 3.34Å; N216-I240 PolarHBondContact O-N 2.79Å; N216-G397 PolarHBondContact ND2-O 2.98Å; N216-K399 PolarHBondContact N-O 2.75Å; N216-K399 VanDerWaalsContact N-O 3.15Å; N216-K399 PolarHBondContact OD1-N 2.89Å; N216-K399 PolarHBondContact OD1-O 3.36Å; N216-R401 HydrophobicContact CB-CG 4.31Å | ||
| 217 | D | 82.6 | Confident | 78.8 | Confident | 8 Ų | 8 | 52.1 Ų | 52.1 | 4% | 0.043 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -62.1 | 128.8 | 176.9 | -179.8 | 9.1 | 0 | 0 | 0 | 110.5 | M215 I219 V220 I221 | M215-D217 HydrophobicContact CG-CB 4.19Å; M215-D217 PolarHBondContact O-N 2.79Å; D217-I219 VanDerWaalsContact C-N 3.27Å; D217-I219 PolarHBondContact O-N 3.19Å; D217-I219 PolarHBondContact OD1-N 3.42Å; D217-V220 HydrophobicContact CB-CB 4.3Å; D217-V220 HydrophobicContact CB-CG2 3.92Å; D217-V220 WeakPolarHBondContact O-CB 3.43Å; D217-V220 PolarHBondContact O-N 2.99Å; D217-V220 VanDerWaalsContact O-N 3.13Å; D217-I221 WeakPolarHBondContact O-CG1 3.49Å; D217-I221 PolarHBondContact O-N 3.19Å |
| 218 | K | 76.8 | Confident | 76.4 | Confident | 79 Ų | 79 | 57.6 Ų | 57.6 | 34% | 0.343 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -56.1 | -40.7 | -178 | -174.4 | 170.9 | -179 | 176.1 | 0 | 112.1 | N216 V220 I221 E222 I240 A241 | N216-K218 PolarHBondContact O-N 2.74Å; K218-V220 VanDerWaalsContact C-N 3.33Å; K218-V220 PolarHBondContact O-N 3.16Å; K218-I221 PolarHBondContact O-N 3.41Å; K218-E222 WeakPolarHBondContact CE-OE1 3.37Å; K218-E222 HydrophobicContact CG-CG 4.44Å; K218-E222 WeakPolarHBondContact CG-OE1 3.1Å; K218-E222 WeakPolarHBondContact O-CB 3.34Å; K218-E222 WeakPolarHBondContact O-CG 3.11Å; K218-E222 PolarHBondContact O-N 3.4Å; K218-I240 WeakPolarHBondContact CB-O 3.33Å; K218-I240 PolarHBondContact N-O 2.94Å; K218-A241 HydrophobicContact CD-CB 4.47Å |
| 219 | I | 74.1 | Confident | 74.1 | Confident | 71 Ų | 71 | 61.3 Ų | 61.3 | 36% | 0.364 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 179.6 | -59.7 | 174.9 | 0 | 0 | 0 | 110.8 | D217 K223 | D217-I219 VanDerWaalsContact C-N 3.27Å; D217-I219 PolarHBondContact O-N 3.19Å; D217-I219 PolarHBondContact OD1-N 3.42Å; I219-K223 WeakPolarHBondContact O-CG 3.39Å; I219-K223 PolarHBondContact O-N 2.88Å |
| 220 | V | 68.6 | Low | 71.2 | Confident | 22 Ų | 22 | 67.5 Ų | 67.5 | 13% | 0.133 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -67.3 | -42.3 | 178.8 | 179.3 | 0 | 0 | 0 | 0 | 110.9 | D217 K218 K223 Q224 R260 | D217-V220 HydrophobicContact CB-CB 4.3Å; D217-V220 HydrophobicContact CB-CG2 3.92Å; D217-V220 WeakPolarHBondContact O-CB 3.43Å; D217-V220 PolarHBondContact O-N 2.99Å; D217-V220 VanDerWaalsContact O-N 3.13Å; K218-V220 VanDerWaalsContact C-N 3.33Å; K218-V220 PolarHBondContact O-N 3.16Å; V220-K223 PolarHBondContact O-N 2.73Å; V220-Q224 WeakPolarHBondContact O-CG 3.33Å; V220-Q224 PolarHBondContact O-N 3.33Å; V220-Q224 VanDerWaalsContact O-N 3.12Å; V220-R260 HydrophobicContact CG2-CB 3.45Å; V220-R260 VanDerWaalsContact CG2-CB 3.45Å; V220-R260 HydrophobicContact CG2-CG 4.28Å |
| 221 | I | 65.2 | Low | 68.6 | Low | 41 Ų | 41 | 72.1 Ų | 72.1 | 21% | 0.21 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -67.3 | -42 | -179.2 | -68.2 | 168 | 0 | 0 | 0 | 110.8 | N216 D217 K218 Q224 G225 | N216-I221 HydrophobicContact CB-CD1 3.98Å; N216-I221 WeakPolarHBondContact O-CD1 3.07Å; D217-I221 WeakPolarHBondContact O-CG1 3.49Å; D217-I221 PolarHBondContact O-N 3.19Å; K218-I221 PolarHBondContact O-N 3.41Å; I221-Q224 PolarHBondContact O-N 2.88Å; I221-G225 PolarHBondContact O-N 3.39Å |
| 222 | E | 68.8 | Low | 65.9 | Low | 115 Ų | 115 | 78.3 Ų | 78.3 | 54% | 0.537 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65.5 | -38.3 | 178.1 | -74.3 | 176 | -175.3 | 0 | 0 | 112.4 | K218 G225 | K218-E222 WeakPolarHBondContact CE-OE1 3.37Å; K218-E222 HydrophobicContact CG-CG 4.44Å; K218-E222 WeakPolarHBondContact CG-OE1 3.1Å; K218-E222 WeakPolarHBondContact O-CB 3.34Å; K218-E222 WeakPolarHBondContact O-CG 3.11Å; K218-E222 PolarHBondContact O-N 3.4Å; E222-G225 PolarHBondContact O-N 2.89Å |
| 223 | K | 64.9 | Low | 63.2 | Low | 136 Ų | 136 | 79.1 Ų | 79.1 | 59% | 0.591 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -65.4 | -39.2 | 174 | -75.9 | -174.9 | 177.5 | -172.5 | 0 | 112.6 | I219 V220 | I219-K223 WeakPolarHBondContact O-CG 3.39Å; I219-K223 PolarHBondContact O-N 2.88Å; V220-K223 PolarHBondContact O-N 2.73Å |
| 224 | Q | 61.9 | Low | 60.7 | Low | 117 Ų | 117 | 87.2 Ų | 87.2 | 55% | 0.547 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -74.3 | -28.1 | 177.1 | -73.1 | 179.3 | -5.6 | 0 | 0 | 112.9 | V220 I221 K226 | V220-Q224 WeakPolarHBondContact O-CG 3.33Å; V220-Q224 PolarHBondContact O-N 3.33Å; V220-Q224 VanDerWaalsContact O-N 3.12Å; I221-Q224 PolarHBondContact O-N 2.88Å; Q224-K226 VanDerWaalsContact C-N 3.31Å; Q224-K226 PolarHBondContact O-N 2.84Å |
| 225 | G | 57.2 | Low | 58.4 | Low | 52 Ų | 52 | 92.3 Ų | 92.3 | 54% | 0.536 | 52% | 0.521 | S | S | . | . | G | 310 helix | trans | -75.3 | -9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | I221 E222 G227 | I221-G225 PolarHBondContact O-N 3.39Å; E222-G225 PolarHBondContact O-N 2.89Å; G225-G227 VanDerWaalsContact C-N 3.27Å; G225-G227 PolarHBondContact O-N 3.45Å |
| 226 | K | 53.8 | Low | 56.3 | Low | 199 Ų | 199 | 94.9 Ų | 94.9 | 87% | 0.865 | 55% | 0.551 | S | S | * | * | G | 310 helix | trans | -80.2 | -0.5 | 177 | -77.5 | -173 | 174.6 | -175.7 | 0 | 114.5 | Q224 | Q224-K226 VanDerWaalsContact C-N 3.31Å; Q224-K226 PolarHBondContact O-N 2.84Å |
| 227 | G | 47.9 | Very low | 54.6 | Low | 65 Ų | 65 | 103.5 Ų | 103.5 | 67% | 0.67 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -99.3 | -9.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | G225 | G225-G227 VanDerWaalsContact C-N 3.27Å; G225-G227 PolarHBondContact O-N 3.45Å |
| 228 | T | 44.1 | Very low | 53.8 | Low | 123 Ų | 123 | 108.3 Ų | 108.3 | 76% | 0.755 | 61% | 0.61 | S | S | * | * | trans | -148.8 | 107.3 | -178.5 | 50.1 | 0 | 0 | 0 | 0 | 109.8 | D230 | T228-D230 PolarHBondContact O-N 2.9Š| ||
| 229 | A | 44.1 | Very low | 53.9 | Low | 105 Ų | 105 | 106.2 Ų | 106.2 | 87% | 0.868 | 61% | 0.606 | S | S | * | * | trans | -67.4 | 107.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 230 | D | 37.1 | Very low | 54.4 | Low | 130 Ų | 130 | 102.9 Ų | 102.9 | 70% | 0.695 | 59% | 0.589 | S | S | * | * | trans | -148.2 | 95.8 | 156.1 | -132.7 | -7.3 | 0 | 0 | 0 | 108 | T228 T232 | T228-D230 PolarHBondContact O-N 2.9Å; D230-T232 PolarHBondContact O-N 2.86Å | ||
| 231 | E | 40.4 | Very low | 55.2 | Low | 146 Ų | 146 | 102.8 Ų | 102.8 | 68% | 0.682 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -77.2 | 5.9 | -168.5 | -78.2 | -146.2 | 120.7 | 0 | 0 | 114.9 | K234 | E231-K234 IonicContact OE1-NZ 3.38Å; E231-K234 PolarHBondContact OE1-NZ 2.87Å |
| 232 | T | 38 | Very low | 56.4 | Low | 130 Ų | 130 | 102.2 Ų | 102.2 | 80% | 0.798 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -97.9 | 6.8 | -171.3 | 43.6 | 0 | 0 | 0 | 0 | 115.4 | D230 | D230-T232 PolarHBondContact O-N 2.86Š|
| 233 | S | 38.5 | Very low | 57.4 | Low | 94 Ų | 94 | 99.2 Ų | 99.2 | 66% | 0.657 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -131 | 33.7 | 178.4 | 66.6 | 0 | 0 | 0 | 0 | 115.5 | S235 | S233-S235 PolarHBondContact O-N 2.63Š|
| 234 | K | 40.8 | Very low | 58.6 | Low | 172 Ų | 172 | 96.9 Ų | 96.9 | 75% | 0.748 | 57% | 0.569 | S | S | * | * | trans | -71.3 | 26.1 | 175.8 | -77.6 | -179.1 | -178.2 | 163.9 | 0 | 114.9 | E231 | E231-K234 IonicContact OE1-NZ 3.38Å; E231-K234 PolarHBondContact OE1-NZ 2.87Å | ||
| 235 | S | 41.1 | Very low | 60.1 | Low | 112 Ų | 112 | 93.1 Ų | 93.1 | 78% | 0.783 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -115.3 | 104.4 | 171.8 | 57.2 | 0 | 0 | 0 | 0 | 110.9 | S233 | S233-S235 PolarHBondContact O-N 2.63Š|
| 236 | G | 46.8 | Very low | 61.8 | Low | 68 Ų | 68 | 94.9 Ų | 94.9 | 70% | 0.701 | 56% | 0.555 | S | S | * | * | trans | 117.1 | 5.8 | 148.3 | 0 | 0 | 0 | 0 | 0 | 120.4 | Q238 | G236-Q238 VanDerWaalsContact C-N 3.31Å; G236-Q238 PolarHBondContact O-N 3.27Å | ||
| 237 | K | 55 | Low | 63.8 | Low | 188 Ų | 188 | 87.3 Ų | 87.3 | 82% | 0.817 | 52% | 0.523 | S | S | * | . | trans | -76 | 86.6 | 167.4 | -77.2 | -177.9 | -175.7 | 168.8 | 0 | 110.1 | S239 | K237-S239 PolarHBondContact O-N 3.36Š| ||
| 238 | Q | 65.5 | Low | 66 | Low | 109 Ų | 109 | 86.9 Ų | 86.9 | 51% | 0.509 | 50% | 0.503 | S | S | . | . | trans | -53.2 | 109 | 170 | -72.8 | 176.3 | -31.8 | 0 | 0 | 108.9 | N216 G236 | N216-Q238 PolarHBondContact ND2-O 3.47Å; G236-Q238 VanDerWaalsContact C-N 3.31Å; G236-Q238 PolarHBondContact O-N 3.27Å | ||
| 239 | S | 78.8 | Confident | 68.3 | Low | 36 Ų | 36 | 86 Ų | 86 | 25% | 0.252 | 49% | 0.49 | S | S | . | . | trans | -106.7 | 148.7 | 173.2 | 59.1 | 0 | 0 | 0 | 0 | 109 | N216 K237 | N216-S239 CarbonylContact O-C 3.32Å; N216-S239 VanDerWaalsContact O-CA 3.3Å; N216-S239 WeakPolarHBondContact O-CA 3.34Å; K237-S239 PolarHBondContact O-N 3.36Å | ||
| 240 | I | 85.1 | Confident | 70.6 | Confident | 1 Ų | 1 | 81.1 Ų | 81.1 | 1% | 0.005 | 45% | 0.45 | C | S | . | . | B | Isolated β-bridge | trans | -96.6 | 130.8 | 175.7 | -176.1 | 176.8 | 0 | 0 | 0 | 109.4 | N216 K218 I242 Y276 S396 L398 | N216-I240 PolarHBondContact O-N 2.79Å; K218-I240 WeakPolarHBondContact CB-O 3.33Å; K218-I240 PolarHBondContact N-O 2.94Å; I240-I242 HydrophobicContact CD1-CD1 4.49Å; I240-I242 HydrophobicContact CD1-CG1 3.83Å; I240-I242 HydrophobicContact CG1-CG1 3.95Å; I240-I242 HydrophobicContact CG2-CD1 4.31Å; I240-I242 HydrophobicContact CG2-CG1 4.14Å; I240-Y276 HydrophobicContact CD1-CD2 4.37Å; I240-Y276 HydrophobicContact CD1-CE2 4.18Å; I240-S396 VanDerWaalsContact CD1-OG 3.27Å; I240-S396 WeakPolarHBondContact CD1-OG 3.32Å; I240-L398 HydrophobicContact CD1-CB 3.89Å; I240-L398 HydrophobicContact CD1-CD1 4.04Å; I240-L398 HydrophobicContact CD1-CG 4.39Å |
| 241 | A | 84.9 | Confident | 73.4 | Confident | 20 Ų | 20 | 75.4 Ų | 75.4 | 17% | 0.165 | 42% | 0.42 | C | S | . | . | trans | -90.6 | 102 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | K218 T278 | K218-A241 HydrophobicContact CD-CB 4.47Å; A241-T278 WeakPolarHBondContact O-CG2 3.03Å; A241-T278 PolarHBondContact O-OG1 2.91Å | ||
| 242 | I | 89.6 | Confident | 75.9 | Confident | 29 Ų | 29 | 72.8 Ų | 72.8 | 15% | 0.149 | 40% | 0.403 | C | S | . | . | trans | -83.2 | 121.5 | 173.9 | -62.7 | 174.6 | 0 | 0 | 0 | 107.3 | M215 I240 D244 C245 | M215-I242 HydrophobicContact CE-CD1 3.81Å; M215-I242 HydrophobicContact SD-CD1 3.67Å; I240-I242 HydrophobicContact CD1-CD1 4.49Å; I240-I242 HydrophobicContact CD1-CG1 3.83Å; I240-I242 HydrophobicContact CG1-CG1 3.95Å; I240-I242 HydrophobicContact CG2-CD1 4.31Å; I240-I242 HydrophobicContact CG2-CG1 4.14Å; I242-D244 WeakPolarHBondContact CG2-O 3.32Å; I242-C245 HydrophobicContact CG2-CB 4.06Å | ||
| 243 | D | 90.2 | Very high | 78.4 | Confident | 52 Ų | 52 | 71.1 Ų | 71.1 | 28% | 0.278 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -75.5 | -50.7 | 177.5 | -61 | -37.4 | 0 | 0 | 0 | 109.8 | R277 T278 T279 | D243-R277 PolarHBondContact N-O 3.19Å; D243-T278 WeakPolarHBondContact OD2-CA 3.28Å; D243-T279 PolarHBondContact OD1-OG1 3.49Å; D243-T279 WeakPolarHBondContact OD2-CB 3.44Å; D243-T279 WeakPolarHBondContact OD2-CG2 3.32Å; D243-T279 PolarHBondContact OD2-N 2.91Å; D243-T279 PolarHBondContact OD2-OG1 2.9Å |
| 244 | D | 90.1 | Very high | 80.8 | Confident | 86 Ų | 86 | 71 Ų | 71 | 46% | 0.46 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 147.7 | 178.9 | -45.5 | -71.3 | 0 | 0 | 0 | 110 | I242 Y276 R277 | I242-D244 WeakPolarHBondContact CG2-O 3.32Å; D244-Y276 CarbonylContact O-C 3.52Å; D244-Y276 VanDerWaalsContact O-CA 3.28Å; D244-Y276 WeakPolarHBondContact O-CA 3.48Å; D244-R277 PolarHBondContact N-O 3.06Å; D244-R277 PolarHBondContact O-N 2.66Å; D244-R277 IonicContact OD2-CZ 3.71Å; D244-R277 IonicContact OD2-NE 3.83Å; D244-R277 PolarHBondContact OD2-NE 2.84Å; D244-R277 IonicContact OD2-NH2 2.68Å; D244-R277 PolarHBondContact OD2-NH2 2.64Å |
| 245 | C | 92.3 | Very high | 82.9 | Confident | 39 Ų | 39 | 65.4 Ų | 65.4 | 26% | 0.264 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 147.2 | 172.1 | 56 | 0 | 0 | 0 | 0 | 111.3 | I242 F247 M274 R275 | I242-C245 HydrophobicContact CG2-CB 4.06Å; C245-F247 HydrophobicContact CB-CE2 4.32Å; C245-F247 HydrophobicContact CB-CZ 4.15Å; C245-F247 VanDerWaalsContact SG-CE2 3.53Å; C245-F247 VanDerWaalsContact SG-CZ 3.59Å; C245-M274 HydrophobicContact CB-CE 4.11Å; C245-R275 CarbonylContact C-O 3.43Å; C245-R275 VanDerWaalsContact CA-O 3.23Å; C245-R275 WeakPolarHBondContact CA-O 3.41Å |
| 246 | T | 94.5 | Very high | 85 | Confident | 88 Ų | 88 | 60.5 Ų | 60.5 | 54% | 0.54 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 141.5 | 172 | 62 | 0 | 0 | 0 | 0 | 108.2 | M274 R275 | T246-M274 CarbonylContact O-C 3.59Å; T246-M274 VanDerWaalsContact O-CA 3.23Å; T246-M274 WeakPolarHBondContact O-CA 3.39Å; T246-M274 WeakPolarHBondContact O-CB 3.13Å; T246-R275 PolarHBondContact N-O 2.85Å; T246-R275 PolarHBondContact O-N 2.85Å; T246-R275 WeakPolarHBondContact OG1-CB 3.48Å |
| 247 | F | 95.4 | Very high | 86.7 | Confident | 41 Ų | 41 | 62.7 Ų | 62.7 | 18% | 0.18 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 154.8 | -176.2 | -63.6 | -74.8 | 0 | 0 | 0 | 111.3 | C245 V251 L253 F256 I262 M274 | C245-F247 HydrophobicContact CB-CE2 4.32Å; C245-F247 HydrophobicContact CB-CZ 4.15Å; C245-F247 VanDerWaalsContact SG-CE2 3.53Å; C245-F247 VanDerWaalsContact SG-CZ 3.59Å; F247-V251 HydrophobicContact CB-CB 3.81Å; F247-V251 HydrophobicContact CB-CG1 4.19Å; F247-V251 HydrophobicContact CB-CG2 3.87Å; F247-V251 HydrophobicContact CD1-CB 4.4Å; F247-V251 HydrophobicContact CD1-CG1 4.13Å; F247-V251 HydrophobicContact CD1-CG2 4.04Å; F247-V251 HydrophobicContact CG-CB 4.21Å; F247-V251 HydrophobicContact CG-CG1 4.05Å; F247-V251 HydrophobicContact CG-CG2 4.25Å; F247-L253 HydrophobicContact CB-CD2 4.19Å; F247-L253 HydrophobicContact CD2-CD2 3.58Å; F247-L253 HydrophobicContact CE2-CD2 4.39Å; F247-L253 HydrophobicContact CG-CD2 4.19Å; F247-F256 AromaticContact CE2-CD1 3.88Å; F247-F256 HydrophobicContact CE2-CD1 3.88Å; F247-F256 HydrophobicContact CE2-CD2 4.47Å; F247-F256 AromaticContact CE2-CE1 3.76Å; F247-F256 HydrophobicContact CE2-CE1 3.76Å; F247-F256 HydrophobicContact CE2-CE2 4.39Å; F247-F256 HydrophobicContact CE2-CG 4.22Å; F247-F256 HydrophobicContact CE2-CZ 4.03Å; F247-F256 HydrophobicContact CZ-CD1 4.25Å; F247-F256 HydrophobicContact CZ-CD2 4.09Å; F247-F256 AromaticContact CZ-CE1 3.96Å; F247-F256 HydrophobicContact CZ-CE1 3.96Å; F247-F256 AromaticContact CZ-CE2 3.81Å; F247-F256 HydrophobicContact CZ-CE2 3.81Å; F247-F256 HydrophobicContact CZ-CG 4.29Å; F247-F256 AromaticContact CZ-CZ 3.73Å; F247-F256 HydrophobicContact CZ-CZ 3.73Å; F247-I262 HydrophobicContact CD1-CD1 4.5Å; F247-I262 HydrophobicContact CE1-CD1 3.51Å; F247-I262 HydrophobicContact CE1-CG1 3.76Å; F247-I262 HydrophobicContact CE1-CG2 4.49Å; F247-I262 HydrophobicContact CZ-CD1 4.08Å; F247-I262 HydrophobicContact CZ-CG1 4.17Å; F247-M274 HydrophobicContact CD1-CB 3.62Å; F247-M274 HydrophobicContact CE1-CB 3.85Å; F247-M274 HydrophobicContact CE1-CE 3.95Å; F247-M274 HydrophobicContact CE1-SD 4.02Å; F247-M274 HydrophobicContact CZ-CE 4.42Å |
| 248 | H | 94.2 | Very high | 87.9 | Confident | 55 Ų | 55 | 57.2 Ų | 57.2 | 26% | 0.255 | 31% | 0.31 | S | S | . | . | trans | -62.5 | 150 | 161.6 | -165.9 | -94.4 | 0 | 0 | 0 | 110 | C250 V251 E272 L273 | H248-C250 PolarHBondContact ND1-N 2.88Å; H248-C250 PolarHBondContact ND1-SG 2.91Å; H248-C250 PolarHBondContact O-N 2.82Å; H248-V251 WeakPolarHBondContact O-CB 3.35Å; H248-V251 PolarHBondContact O-N 2.88Å; H248-E272 WeakPolarHBondContact CB-O 3.37Å; H248-L273 PolarHBondContact N-O 2.82Å | ||
| 249 | Q | 91.8 | Very high | 88.4 | Confident | 104 Ų | 104 | 57.8 Ų | 57.8 | 49% | 0.486 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -16.3 | 178.2 | 63.9 | 178.8 | 13.7 | 0 | 0 | 114.5 | E125 W160 V251 | E125-Q249 PolarHBondContact OE1-NE2 2.98Å; W160-Q249 HydrophobicContact CD2-CG 4.41Å; W160-Q249 HydrophobicContact CE3-CG 3.85Å; W160-Q249 HydrophobicContact CZ3-CG 4.18Å; Q249-V251 PolarHBondContact O-N 3.46Å |
| 250 | C | 93.6 | Very high | 88.3 | Confident | 4 Ų | 4 | 60.2 Ų | 60.2 | 3% | 0.027 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -14.2 | 177.4 | 66 | 0 | 0 | 0 | 0 | 113.6 | W160 H248 F264 I265 | W160-C250 HydrophobicContact CD2-CB 4.09Å; W160-C250 VanDerWaalsContact CE2-CB 3.45Å; W160-C250 HydrophobicContact CG-CB 4.33Å; W160-C250 VanDerWaalsContact CZ2-CA 3.45Å; W160-C250 HydrophobicContact CZ2-CB 3.82Å; W160-C250 VanDerWaalsContact NE1-CB 3.27Å; H248-C250 PolarHBondContact ND1-N 2.88Å; H248-C250 PolarHBondContact ND1-SG 2.91Å; H248-C250 PolarHBondContact O-N 2.82Å; C250-F264 HydrophobicContact CB-CB 4.36Å; C250-F264 VanDerWaalsContact O-CA 3.22Å; C250-F264 WeakPolarHBondContact O-CA 3.45Å; C250-F264 WeakPolarHBondContact O-CB 3.35Å; C250-I265 WeakPolarHBondContact CB-O 3.3Å |
| 251 | V | 95.5 | Very high | 88.1 | Confident | 9 Ų | 9 | 60.6 Ų | 60.6 | 6% | 0.055 | 32% | 0.319 | C | S | . | . | B | Isolated β-bridge | trans | -82.8 | 129.5 | 179.6 | 179 | 0 | 0 | 0 | 0 | 110.8 | F247 H248 Q249 L253 I262 F264 L273 | F247-V251 HydrophobicContact CB-CB 3.81Å; F247-V251 HydrophobicContact CB-CG1 4.19Å; F247-V251 HydrophobicContact CB-CG2 3.87Å; F247-V251 HydrophobicContact CD1-CB 4.4Å; F247-V251 HydrophobicContact CD1-CG1 4.13Å; F247-V251 HydrophobicContact CD1-CG2 4.04Å; F247-V251 HydrophobicContact CG-CB 4.21Å; F247-V251 HydrophobicContact CG-CG1 4.05Å; F247-V251 HydrophobicContact CG-CG2 4.25Å; H248-V251 WeakPolarHBondContact O-CB 3.35Å; H248-V251 PolarHBondContact O-N 2.88Å; Q249-V251 PolarHBondContact O-N 3.46Å; V251-L253 HydrophobicContact CG1-CD2 4.42Å; V251-L253 PolarHBondContact O-N 2.55Å; V251-I262 HydrophobicContact CG1-CG2 3.92Å; V251-I262 HydrophobicContact CG2-CG2 3.88Å; V251-F264 HydrophobicContact CG2-CB 4.12Å; V251-L273 HydrophobicContact CG2-CD1 3.8Å |
| 252 | R | 92.9 | Very high | 88.5 | Confident | 91 Ų | 91 | 59.7 Ų | 59.7 | 34% | 0.343 | 31% | 0.311 | S | S | . | . | trans | -78.2 | 90.4 | 174.7 | -61 | -176 | -174 | 161.7 | 15.8 | 110 | E210 S254 K255 F256 S263 | E210-R252 IonicContact OE1-NH1 3.85Å; E210-R252 IonicContact OE2-CZ 3.21Å; E210-R252 IonicContact OE2-NH1 2.8Å; E210-R252 PolarHBondContact OE2-NH1 3.4Å; E210-R252 IonicContact OE2-NH2 3.36Å; E210-R252 PolarHBondContact OE2-NH2 2.86Å; R252-S254 VanDerWaalsContact C-N 3.26Å; R252-S254 PolarHBondContact O-N 3.18Å; R252-K255 HydrophobicContact CB-CB 4.42Å; R252-K255 HydrophobicContact CB-CD 4.34Å; R252-K255 HydrophobicContact CB-CG 4.33Å; R252-K255 VanDerWaalsContact NH1-NZ 3.18Å; R252-K255 PolarHBondContact O-N 2.7Å; R252-K255 VanDerWaalsContact O-N 3.09Å; R252-F256 PolarHBondContact O-N 2.77Å; R252-S263 PolarHBondContact N-O 3.26Å | ||
| 253 | L | 90.6 | Very high | 88.8 | Confident | 95 Ų | 95 | 58.4 Ų | 58.4 | 50% | 0.497 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -56.2 | -37.2 | -176.7 | -63.5 | -179.4 | 0 | 0 | 0 | 113.3 | F247 V251 K255 F256 D257 | F247-L253 HydrophobicContact CB-CD2 4.19Å; F247-L253 HydrophobicContact CD2-CD2 3.58Å; F247-L253 HydrophobicContact CE2-CD2 4.39Å; F247-L253 HydrophobicContact CG-CD2 4.19Å; V251-L253 HydrophobicContact CG1-CD2 4.42Å; V251-L253 PolarHBondContact O-N 2.55Å; L253-K255 VanDerWaalsContact C-N 3.28Å; L253-K255 PolarHBondContact O-N 2.79Å; L253-F256 WeakPolarHBondContact O-CA 3.48Å; L253-F256 WeakPolarHBondContact O-CB 3.47Å; L253-F256 PolarHBondContact O-N 2.92Å; L253-D257 PolarHBondContact O-N 2.78Å |
| 254 | S | 87.9 | Confident | 89.1 | Confident | 92 Ų | 92 | 55.9 Ų | 55.9 | 64% | 0.643 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -58.6 | -36.6 | 177.3 | 54.4 | 0 | 0 | 0 | 0 | 113.6 | R252 S258 | R252-S254 VanDerWaalsContact C-N 3.26Å; R252-S254 PolarHBondContact O-N 3.18Å; S254-S258 PolarHBondContact O-N 3.2Å; S254-S258 PolarHBondContact O-OG 2.91Å |
| 255 | K | 84.6 | Confident | 89.3 | Confident | 54 Ų | 54 | 52.5 Ų | 52.5 | 24% | 0.235 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -73.7 | -32.2 | 173.8 | -69.8 | -173.2 | 177 | -178.1 | 0 | 112 | E210 R252 L253 S258 E259 S263 | E210-K255 IonicContact OE1-NZ 3.98Å; E210-K255 PolarHBondContact OE1-NZ 2.8Å; E210-K255 VanDerWaalsContact OE1-NZ 3.14Å; R252-K255 HydrophobicContact CB-CB 4.42Å; R252-K255 HydrophobicContact CB-CD 4.34Å; R252-K255 HydrophobicContact CB-CG 4.33Å; R252-K255 VanDerWaalsContact NH1-NZ 3.18Å; R252-K255 PolarHBondContact O-N 2.7Å; R252-K255 VanDerWaalsContact O-N 3.09Å; L253-K255 VanDerWaalsContact C-N 3.28Å; L253-K255 PolarHBondContact O-N 2.79Å; K255-S258 PolarHBondContact O-OG 3.27Å; K255-E259 WeakPolarHBondContact O-CB 3.46Å; K255-E259 PolarHBondContact O-N 2.8Å; K255-S263 PolarHBondContact NZ-OG 3.33Å |
| 256 | F | 86.4 | Confident | 89.5 | Confident | 10 Ų | 10 | 50.7 Ų | 50.7 | 4% | 0.044 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.5 | -39.8 | 176.4 | 179.7 | -103.2 | 0 | 0 | 0 | 111.5 | F247 R252 L253 S258 R260 I262 | F247-F256 AromaticContact CE2-CD1 3.88Å; F247-F256 HydrophobicContact CE2-CD1 3.88Å; F247-F256 HydrophobicContact CE2-CD2 4.47Å; F247-F256 AromaticContact CE2-CE1 3.76Å; F247-F256 HydrophobicContact CE2-CE1 3.76Å; F247-F256 HydrophobicContact CE2-CE2 4.39Å; F247-F256 HydrophobicContact CE2-CG 4.22Å; F247-F256 HydrophobicContact CE2-CZ 4.03Å; F247-F256 HydrophobicContact CZ-CD1 4.25Å; F247-F256 HydrophobicContact CZ-CD2 4.09Å; F247-F256 AromaticContact CZ-CE1 3.96Å; F247-F256 HydrophobicContact CZ-CE1 3.96Å; F247-F256 AromaticContact CZ-CE2 3.81Å; F247-F256 HydrophobicContact CZ-CE2 3.81Å; F247-F256 HydrophobicContact CZ-CG 4.29Å; F247-F256 AromaticContact CZ-CZ 3.73Å; F247-F256 HydrophobicContact CZ-CZ 3.73Å; R252-F256 PolarHBondContact O-N 2.77Å; L253-F256 WeakPolarHBondContact O-CA 3.48Å; L253-F256 WeakPolarHBondContact O-CB 3.47Å; L253-F256 PolarHBondContact O-N 2.92Å; F256-S258 PolarHBondContact O-N 2.64Å; F256-R260 VanDerWaalsContact CE1-NH1 3.34Å; F256-R260 WeakPolarHBondContact O-CA 3.21Å; F256-R260 WeakPolarHBondContact O-CD 3.41Å; F256-R260 PolarHBondContact O-N 2.79Å; F256-I262 HydrophobicContact CD2-CG1 3.76Å; F256-I262 HydrophobicContact CE2-CD1 4.4Å; F256-I262 HydrophobicContact CE2-CG1 4.04Å |
| 257 | D | 82.6 | Confident | 89.5 | Confident | 113 Ų | 113 | 47.2 Ų | 47.2 | 60% | 0.604 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -66.4 | -39.2 | 179.9 | -68.4 | -25.5 | 0 | 0 | 0 | 112.4 | L253 | L253-D257 PolarHBondContact O-N 2.78Å |
| 258 | S | 79.4 | Confident | 89.4 | Confident | 74 Ų | 74 | 48.1 Ų | 48.1 | 52% | 0.517 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -79.1 | -54.1 | 179.6 | 58.8 | 0 | 0 | 0 | 0 | 113.1 | S254 K255 F256 | S254-S258 PolarHBondContact O-N 3.2Å; S254-S258 PolarHBondContact O-OG 2.91Å; K255-S258 PolarHBondContact O-OG 3.27Å; F256-S258 PolarHBondContact O-N 2.64Å |
| 259 | E | 76.1 | Confident | 89.3 | Confident | 121 Ų | 121 | 46.2 Ų | 46.2 | 57% | 0.565 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -102 | -11.1 | -169 | -63.9 | 172.7 | -158 | 0 | 0 | 113.2 | K255 S261 | K255-E259 WeakPolarHBondContact O-CB 3.46Å; K255-E259 PolarHBondContact O-N 2.8Å; E259-S261 PolarHBondContact O-N 2.79Å |
| 260 | R | 76.9 | Confident | 89.4 | Confident | 86 Ų | 86 | 47.1 Ų | 47.1 | 33% | 0.325 | 25% | 0.246 | S | C | . | . | trans | 53.2 | 29.6 | -168.9 | -63.7 | -70.5 | -174.7 | 174.8 | 2.4 | 112.5 | V220 F256 | V220-R260 HydrophobicContact CG2-CB 3.45Å; V220-R260 VanDerWaalsContact CG2-CB 3.45Å; V220-R260 HydrophobicContact CG2-CG 4.28Å; F256-R260 VanDerWaalsContact CE1-NH1 3.34Å; F256-R260 WeakPolarHBondContact O-CA 3.21Å; F256-R260 WeakPolarHBondContact O-CD 3.41Å; F256-R260 PolarHBondContact O-N 2.79Å | ||
| 261 | S | 80.8 | Confident | 89.5 | Confident | 9 Ų | 9 | 48 Ų | 48 | 6% | 0.063 | 25% | 0.249 | C | C | . | . | trans | -106.1 | 130.8 | 175.9 | -168.7 | 0 | 0 | 0 | 0 | 110 | E259 S263 | E259-S261 PolarHBondContact O-N 2.79Å; S261-S263 PolarHBondContact O-N 2.95Å | ||
| 262 | I | 92.9 | Very high | 89.5 | Confident | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 98.5 | 179.1 | -64.2 | 160.8 | 0 | 0 | 0 | 107.6 | K212 F213 M215 F247 V251 F256 F264 M274 | K212-I262 CarbonylContact C-O 3.51Å; K212-I262 VanDerWaalsContact CA-O 3.31Å; K212-I262 WeakPolarHBondContact CA-O 3.42Å; F213-I262 HydrophobicContact CB-CB 4.23Å; F213-I262 HydrophobicContact CB-CG2 4.34Å; F213-I262 HydrophobicContact CD1-CB 4.3Å; F213-I262 HydrophobicContact CD1-CD1 3.64Å; F213-I262 HydrophobicContact CE1-CD1 4.12Å; F213-I262 PolarHBondContact N-O 3Å; F213-I262 PolarHBondContact O-N 3.3Å; M215-I262 HydrophobicContact CE-CD1 3.49Å; M215-I262 VanDerWaalsContact CE-CD1 3.49Å; F247-I262 HydrophobicContact CD1-CD1 4.5Å; F247-I262 HydrophobicContact CE1-CD1 3.51Å; F247-I262 HydrophobicContact CE1-CG1 3.76Å; F247-I262 HydrophobicContact CE1-CG2 4.49Å; F247-I262 HydrophobicContact CZ-CD1 4.08Å; F247-I262 HydrophobicContact CZ-CG1 4.17Å; V251-I262 HydrophobicContact CG1-CG2 3.92Å; V251-I262 HydrophobicContact CG2-CG2 3.88Å; F256-I262 HydrophobicContact CD2-CG1 3.76Å; F256-I262 HydrophobicContact CE2-CD1 4.4Å; F256-I262 HydrophobicContact CE2-CG1 4.04Å; I262-F264 HydrophobicContact CG2-CD1 3.85Å; I262-F264 HydrophobicContact CG2-CE1 4.1Å; I262-M274 HydrophobicContact CD1-SD 3.82Å |
| 263 | S | 95.2 | Very high | 89.7 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.007 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 128.6 | 178.2 | 167.4 | 0 | 0 | 0 | 0 | 109.8 | E210 C211 R252 K255 S261 | E210-S263 PolarHBondContact OE1-OG 3.22Å; C211-S263 WeakPolarHBondContact O-CA 3.28Å; R252-S263 PolarHBondContact N-O 3.26Å; K255-S263 PolarHBondContact NZ-OG 3.33Å; S261-S263 PolarHBondContact O-N 2.95Å |
| 264 | F | 96.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 160.9 | -172.7 | 60.9 | -77.7 | 0 | 0 | 0 | 112.4 | M201 C211 F213 C250 V251 I262 P266 F271 L273 | M201-F264 HydrophobicContact CE-CE2 4.15Å; M201-F264 HydrophobicContact CE-CZ 4.34Å; M201-F264 HydrophobicContact SD-CE2 3.67Å; M201-F264 HydrophobicContact SD-CZ 3.84Å; C211-F264 HydrophobicContact CB-CD1 4.26Å; C211-F264 HydrophobicContact CB-CD2 4.15Å; C211-F264 HydrophobicContact CB-CE1 3.87Å; C211-F264 HydrophobicContact CB-CE2 3.76Å; C211-F264 HydrophobicContact CB-CG 4.39Å; C211-F264 HydrophobicContact CB-CZ 3.61Å; C211-F264 PolarHBondContact N-O 3.23Å; C211-F264 PolarHBondContact O-N 3.48Å; F213-F264 HydrophobicContact CB-CE1 3.81Å; F213-F264 HydrophobicContact CB-CZ 4.46Å; C250-F264 HydrophobicContact CB-CB 4.36Å; C250-F264 VanDerWaalsContact O-CA 3.22Å; C250-F264 WeakPolarHBondContact O-CA 3.45Å; C250-F264 WeakPolarHBondContact O-CB 3.35Å; V251-F264 HydrophobicContact CG2-CB 4.12Å; I262-F264 HydrophobicContact CG2-CD1 3.85Å; I262-F264 HydrophobicContact CG2-CE1 4.1Å; F264-P266 HydrophobicContact CD2-CB 4.11Å; F264-P266 HydrophobicContact CE2-CB 3.93Å; F264-P266 HydrophobicContact CE2-CG 4.47Å; F264-F271 HydrophobicContact CE2-CZ 4.23Å; F264-L273 HydrophobicContact CD1-CD1 4.01Å; F264-L273 HydrophobicContact CD2-CD1 3.78Å; F264-L273 HydrophobicContact CE1-CD1 3.96Å; F264-L273 HydrophobicContact CE1-CD2 3.87Å; F264-L273 HydrophobicContact CE2-CD1 3.71Å; F264-L273 HydrophobicContact CE2-CD2 4.24Å; F264-L273 HydrophobicContact CG-CD1 3.93Å; F264-L273 HydrophobicContact CZ-CD1 3.81Å; F264-L273 HydrophobicContact CZ-CD2 3.62Å; F264-L273 HydrophobicContact CZ-CG 4.38Å |
| 265 | I | 96.1 | Very high | 90.4 | Very high | 15 Ų | 15 | 44.2 Ų | 44.2 | 8% | 0.077 | 22% | 0.216 | C | C | . | . | trans | -107 | 112.5 | 166 | -66.6 | 167.8 | 0 | 0 | 0 | 106.6 | I158 W160 R161 M208 C250 | I158-I265 HydrophobicContact CD1-CD1 3.44Å; I158-I265 VanDerWaalsContact CD1-CD1 3.44Å; W160-I265 PolarHBondContact NE1-O 3.49Å; R161-I265 HydrophobicContact CB-CG2 4.4Å; M208-I265 HydrophobicContact CE-CG2 4.28Å; C250-I265 WeakPolarHBondContact CB-O 3.3Å | ||
| 266 | P | 96 | Very high | 90.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -70.3 | 135.2 | -170.8 | 26 | -32.2 | 0 | 0 | 0 | 112 | R161 M201 L205 P209 F264 F271 | R161-P266 WeakPolarHBondContact CD-O 3.47Å; R161-P266 PolarHBondContact NH1-O 3.48Å; M201-P266 HydrophobicContact CE-CB 4.13Å; M201-P266 HydrophobicContact CE-CG 4.39Å; M201-P266 HydrophobicContact SD-CB 4.45Å; L205-P266 HydrophobicContact CD1-CG 4.13Å; P209-P266 HydrophobicContact CG-CG 4.41Å; P209-P266 WeakPolarHBondContact O-CD 3.33Å; F264-P266 HydrophobicContact CD2-CB 4.11Å; F264-P266 HydrophobicContact CE2-CB 3.93Å; F264-P266 HydrophobicContact CE2-CG 4.47Å; P266-F271 HydrophobicContact CB-CE1 3.75Å; P266-F271 HydrophobicContact CB-CZ 3.72Å |
| 267 | P | 94.1 | Very high | 91.3 | Very high | 15 Ų | 15 | 46.8 Ų | 46.8 | 10% | 0.097 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -48.7 | 151.8 | 157.6 | -23.3 | 31.9 | 0 | 0 | 0 | 111.4 | W160 S203 F271 | W160-P267 HydrophobicContact CB-CG 4.19Å; W160-P267 HydrophobicContact CG-CG 4.21Å; S203-P267 WeakPolarHBondContact CB-O 3.22Å; P267-F271 HydrophobicContact CB-CB 4.42Å; P267-F271 HydrophobicContact CB-CD1 4Å; P267-F271 HydrophobicContact CB-CE1 4.47Å; P267-F271 HydrophobicContact CB-CG 4.11Å; P267-F271 HydrophobicContact CG-CB 4.42Å; P267-F271 HydrophobicContact CG-CD1 4.15Å; P267-F271 HydrophobicContact CG-CD2 3.97Å; P267-F271 HydrophobicContact CG-CE1 4.45Å; P267-F271 HydrophobicContact CG-CE2 4.28Å; P267-F271 HydrophobicContact CG-CG 3.92Å |
| 268 | D | 92.9 | Very high | 91.9 | Very high | 60 Ų | 60 | 41.4 Ų | 41.4 | 32% | 0.321 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -79.1 | 141.5 | 176.5 | -159.9 | 59.1 | 0 | 0 | 0 | 111.4 | R161 I165 Y167 | R161-D268 IonicContact NH1-OD1 2.76Å; R161-D268 PolarHBondContact NH1-OD1 2.82Å; I165-D268 HydrophobicContact CD1-CB 3.8Å; Y167-D268 WeakPolarHBondContact CE2-OD1 3.07Å; Y167-D268 VanDerWaalsContact OH-CG 3.28Å; Y167-D268 PolarHBondContact OH-OD1 3.31Å; Y167-D268 PolarHBondContact OH-OD2 2.9Å |
| 269 | G | 93.2 | Very high | 92.6 | Very high | 15 Ų | 15 | 40.8 Ų | 40.8 | 16% | 0.155 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 79.5 | -148.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | K202 S203 | K202-G269 CarbonylContact C-O 3.55Å; K202-G269 WeakPolarHBondContact CA-O 3.24Å; S203-G269 PolarHBondContact N-O 2.9Å; S203-G269 PolarHBondContact O-N 2.84Å |
| 270 | E | 94.2 | Very high | 93.1 | Very high | 124 Ų | 124 | 41.2 Ų | 41.2 | 58% | 0.579 | 19% | 0.189 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 126.3 | -174.8 | -174.1 | 173.6 | 151.1 | 0 | 0 | 112.1 | V200 M201 K202 | V200-E270 HydrophobicContact CG1-CG 3.76Å; M201-E270 CarbonylContact O-C 3.58Å; M201-E270 WeakPolarHBondContact O-CA 3.3Å; K202-E270 WeakPolarHBondContact CE-OE2 3.27Å; K202-E270 HydrophobicContact CG-CB 4.04Å; K202-E270 HydrophobicContact CG-CG 4.02Å; K202-E270 IonicContact NZ-OE2 3.06Å; K202-E270 PolarHBondContact NZ-OE2 3.14Å |
| 271 | F | 94 | Very high | 93.6 | Very high | 21 Ų | 21 | 42.7 Ų | 42.7 | 9% | 0.092 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 158.4 | 173.8 | 71.9 | -78.3 | 0 | 0 | 0 | 111.7 | M201 F264 P266 P267 L273 | M201-F271 HydrophobicContact CB-CD1 4.35Å; M201-F271 HydrophobicContact CB-CE1 3.79Å; M201-F271 HydrophobicContact CB-CZ 3.88Å; M201-F271 HydrophobicContact CG-CE1 3.82Å; M201-F271 HydrophobicContact CG-CZ 4.03Å; M201-F271 PolarHBondContact N-O 2.82Å; M201-F271 PolarHBondContact O-N 2.82Å; M201-F271 HydrophobicContact SD-CE1 4.01Å; M201-F271 HydrophobicContact SD-CZ 3.7Å; F264-F271 HydrophobicContact CE2-CZ 4.23Å; P266-F271 HydrophobicContact CB-CE1 3.75Å; P266-F271 HydrophobicContact CB-CZ 3.72Å; P267-F271 HydrophobicContact CB-CB 4.42Å; P267-F271 HydrophobicContact CB-CD1 4Å; P267-F271 HydrophobicContact CB-CE1 4.47Å; P267-F271 HydrophobicContact CB-CG 4.11Å; P267-F271 HydrophobicContact CG-CB 4.42Å; P267-F271 HydrophobicContact CG-CD1 4.15Å; P267-F271 HydrophobicContact CG-CD2 3.97Å; P267-F271 HydrophobicContact CG-CE1 4.45Å; P267-F271 HydrophobicContact CG-CE2 4.28Å; P267-F271 HydrophobicContact CG-CG 3.92Å; F271-L273 HydrophobicContact CE2-CB 3.9Å; F271-L273 HydrophobicContact CE2-CD1 3.97Å; F271-L273 HydrophobicContact CZ-CB 4.49Å; F271-L273 HydrophobicContact CZ-CD1 4.45Å |
| 272 | E | 96.3 | Very high | 94.1 | Very high | 69 Ų | 69 | 43.7 Ų | 43.7 | 32% | 0.322 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 112.2 | 172.6 | -171.1 | 174.3 | 122.1 | 0 | 0 | 109.1 | R198 H248 | R198-E272 HydrophobicContact CB-CG 4.22Å; R198-E272 WeakPolarHBondContact CD-OE2 3.5Å; R198-E272 IonicContact NH1-OE2 3.14Å; R198-E272 PolarHBondContact NH1-OE2 3.13Å; H248-E272 WeakPolarHBondContact CB-O 3.37Å |
| 273 | L | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | -44.8 | -178.5 | 173.5 | 63.2 | 0 | 0 | 0 | 111.6 | V199 F213 H248 V251 F264 F271 | V199-L273 PolarHBondContact O-N 2.8Å; F213-L273 HydrophobicContact CB-CD2 4.44Å; F213-L273 HydrophobicContact CG-CD2 4.39Å; H248-L273 PolarHBondContact N-O 2.82Å; V251-L273 HydrophobicContact CG2-CD1 3.8Å; F264-L273 HydrophobicContact CD1-CD1 4.01Å; F264-L273 HydrophobicContact CD2-CD1 3.78Å; F264-L273 HydrophobicContact CE1-CD1 3.96Å; F264-L273 HydrophobicContact CE1-CD2 3.87Å; F264-L273 HydrophobicContact CE2-CD1 3.71Å; F264-L273 HydrophobicContact CE2-CD2 4.24Å; F264-L273 HydrophobicContact CG-CD1 3.93Å; F264-L273 HydrophobicContact CZ-CD1 3.81Å; F264-L273 HydrophobicContact CZ-CD2 3.62Å; F264-L273 HydrophobicContact CZ-CG 4.38Å; F271-L273 HydrophobicContact CE2-CB 3.9Å; F271-L273 HydrophobicContact CE2-CD1 3.97Å; F271-L273 HydrophobicContact CZ-CB 4.49Å; F271-L273 HydrophobicContact CZ-CD1 4.45Å |
| 274 | M | 96.3 | Very high | 94 | Very high | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 154.7 | 179.6 | 65.8 | 174.9 | -66.1 | 0 | 0 | 111.8 | R198 V199 F213 M215 C245 T246 F247 I262 Y276 | R198-M274 CarbonylContact C-O 3.52Å; R198-M274 VanDerWaalsContact CA-O 3.3Å; R198-M274 WeakPolarHBondContact CA-O 3.44Å; V199-M274 HydrophobicContact CB-CG 3.77Å; V199-M274 HydrophobicContact CG2-CG 3.61Å; V199-M274 HydrophobicContact CG2-SD 4.06Å; V199-M274 PolarHBondContact N-O 2.75Å; F213-M274 HydrophobicContact CD1-SD 4.49Å; F213-M274 HydrophobicContact CE1-SD 3.94Å; M215-M274 HydrophobicContact CE-CE 3.93Å; M215-M274 HydrophobicContact CE-SD 4.18Å; M215-M274 HydrophobicContact SD-CE 4.22Å; M215-M274 HydrophobicContact SD-SD 4.25Å; C245-M274 HydrophobicContact CB-CE 4.11Å; T246-M274 CarbonylContact O-C 3.59Å; T246-M274 VanDerWaalsContact O-CA 3.23Å; T246-M274 WeakPolarHBondContact O-CA 3.39Å; T246-M274 WeakPolarHBondContact O-CB 3.13Å; F247-M274 HydrophobicContact CD1-CB 3.62Å; F247-M274 HydrophobicContact CE1-CB 3.85Å; F247-M274 HydrophobicContact CE1-CE 3.95Å; F247-M274 HydrophobicContact CE1-SD 4.02Å; F247-M274 HydrophobicContact CZ-CE 4.42Å; I262-M274 HydrophobicContact CD1-SD 3.82Å; M274-Y276 HydrophobicContact CE-CD1 3.97Å; M274-Y276 HydrophobicContact CE-CG 4.38Å |
| 275 | R | 97.1 | Very high | 94 | Very high | 138 Ų | 138 | 47.8 Ų | 47.8 | 52% | 0.521 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 145.6 | 167.9 | -167.3 | 177.7 | 175.7 | -179.2 | -2.8 | 108.4 | G197 R198 C245 T246 | G197-R275 CarbonylContact O-C 3.56Å; G197-R275 WeakPolarHBondContact O-CA 3.42Å; G197-R275 VanDerWaalsContact O-CG 3.24Å; G197-R275 WeakPolarHBondContact O-CG 3.3Å; R198-R275 HydrophobicContact CB-CG 4.37Å; C245-R275 CarbonylContact C-O 3.43Å; C245-R275 VanDerWaalsContact CA-O 3.23Å; C245-R275 WeakPolarHBondContact CA-O 3.41Å; T246-R275 PolarHBondContact N-O 2.85Å; T246-R275 PolarHBondContact O-N 2.85Å; T246-R275 WeakPolarHBondContact OG1-CB 3.48Å |
| 276 | Y | 95.3 | Very high | 93.9 | Very high | 6 Ų | 6 | 47.2 Ų | 47.2 | 2% | 0.024 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 158.6 | -179.3 | 59 | -84.3 | 0 | 0 | 0 | 111.2 | V176 E178 G197 V199 I240 D244 M274 L398 | V176-Y276 VanDerWaalsContact CG1-OH 3.24Å; V176-Y276 WeakPolarHBondContact CG1-OH 3.46Å; E178-Y276 VanDerWaalsContact CD-OH 3.31Å; E178-Y276 HydrophobicContact CG-CE2 4.45Å; E178-Y276 VanDerWaalsContact CG-OH 3.27Å; E178-Y276 WeakPolarHBondContact CG-OH 3.18Å; E178-Y276 VanDerWaalsContact OE1-CE2 3.3Å; E178-Y276 WeakPolarHBondContact OE1-CE2 3.4Å; E178-Y276 PolarHBondContact OE1-OH 2.87Å; G197-Y276 PolarHBondContact N-O 3.22Å; G197-Y276 PolarHBondContact O-N 2.83Å; G197-Y276 VanDerWaalsContact O-O 3.11Å; V199-Y276 HydrophobicContact CG2-CE1 3.97Å; I240-Y276 HydrophobicContact CD1-CD2 4.37Å; I240-Y276 HydrophobicContact CD1-CE2 4.18Å; D244-Y276 CarbonylContact O-C 3.52Å; D244-Y276 VanDerWaalsContact O-CA 3.28Å; D244-Y276 WeakPolarHBondContact O-CA 3.48Å; M274-Y276 HydrophobicContact CE-CD1 3.97Å; M274-Y276 HydrophobicContact CE-CG 4.38Å; Y276-L398 HydrophobicContact CD1-CD1 4.42Å; Y276-L398 HydrophobicContact CD2-CD1 4.4Å; Y276-L398 HydrophobicContact CE1-CD1 3.87Å; Y276-L398 HydrophobicContact CE2-CD1 3.84Å |
| 277 | R | 95.6 | Very high | 93.9 | Very high | 111 Ų | 111 | 53 Ų | 53 | 42% | 0.419 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 140 | 174.7 | -173.8 | 177.1 | 67.4 | 142.6 | 0.6 | 110 | V195 D243 D244 | V195-R277 WeakPolarHBondContact O-CA 3.49Å; D243-R277 PolarHBondContact N-O 3.19Å; D244-R277 PolarHBondContact N-O 3.06Å; D244-R277 PolarHBondContact O-N 2.66Å; D244-R277 IonicContact OD2-CZ 3.71Å; D244-R277 IonicContact OD2-NE 3.83Å; D244-R277 PolarHBondContact OD2-NE 2.84Å; D244-R277 IonicContact OD2-NH2 2.68Å; D244-R277 PolarHBondContact OD2-NH2 2.64Å |
| 278 | T | 94.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 134.4 | 175.1 | -70.3 | 0 | 0 | 0 | 0 | 109.4 | H194 V195 A241 D243 K280 I282 | H194-T278 CarbonylContact C-O 3.52Å; H194-T278 WeakPolarHBondContact CA-O 3.42Å; V195-T278 PolarHBondContact N-O 2.93Å; V195-T278 PolarHBondContact O-N 2.93Å; A241-T278 WeakPolarHBondContact O-CG2 3.03Å; A241-T278 PolarHBondContact O-OG1 2.91Å; D243-T278 WeakPolarHBondContact OD2-CA 3.28Å; T278-K280 WeakPolarHBondContact CG2-O 3.36Å; T278-I282 HydrophobicContact CG2-CG1 4.32Å; T278-I282 WeakPolarHBondContact O-CD1 3.4Å |
| 279 | T | 93.5 | Very high | 93.9 | Very high | 62 Ų | 62 | 52 Ų | 52 | 38% | 0.38 | 24% | 0.241 | S | C | . | . | trans | -112.2 | -12.1 | 177.8 | 55.9 | 0 | 0 | 0 | 0 | 112.6 | H194 D243 | H194-T279 HydrophobicContact CB-CG2 3.82Å; D243-T279 PolarHBondContact OD1-OG1 3.49Å; D243-T279 WeakPolarHBondContact OD2-CB 3.44Å; D243-T279 WeakPolarHBondContact OD2-CG2 3.32Å; D243-T279 PolarHBondContact OD2-N 2.91Å; D243-T279 PolarHBondContact OD2-OG1 2.9Å | ||
| 280 | K | 87.3 | Confident | 93.9 | Very high | 129 Ų | 129 | 51.8 Ų | 51.8 | 56% | 0.561 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -111.2 | 153.1 | -175.2 | -62.5 | -179.6 | -177 | 174.7 | 0 | 111.9 | T278 I282 | T278-K280 WeakPolarHBondContact CG2-O 3.36Å; K280-I282 PolarHBondContact O-N 2.89Å; K280-I282 VanDerWaalsContact O-N 3.09Å |
| 281 | D | 86.9 | Confident | 93.8 | Very high | 118 Ų | 118 | 50.5 Ų | 50.5 | 63% | 0.631 | 23% | 0.233 | S | C | * | . | S | Bend | trans | 54.5 | 30.8 | 172.5 | -54.4 | -39.2 | 0 | 0 | 0 | 114.8 | ||
| 282 | I | 91.6 | Very high | 93.7 | Very high | 29 Ų | 29 | 51.1 Ų | 51.1 | 15% | 0.149 | 24% | 0.239 | C | C | . | . | trans | -77.2 | 131.3 | -178.9 | -58.5 | 162.5 | 0 | 0 | 0 | 110.4 | A193 H194 V195 T278 K280 L284 | A193-I282 HydrophobicContact CB-CD1 4.23Å; H194-I282 VanDerWaalsContact CA-CD1 3.47Å; V195-I282 HydrophobicContact CG2-CB 4.34Å; V195-I282 HydrophobicContact CG2-CD1 4.07Å; V195-I282 HydrophobicContact CG2-CG1 3.92Å; V195-I282 HydrophobicContact CG2-CG2 3.49Å; V195-I282 VanDerWaalsContact CG2-CG2 3.49Å; T278-I282 HydrophobicContact CG2-CG1 4.32Å; T278-I282 WeakPolarHBondContact O-CD1 3.4Å; K280-I282 PolarHBondContact O-N 2.89Å; K280-I282 VanDerWaalsContact O-N 3.09Å; I282-L284 HydrophobicContact CG2-CD2 4.13Å; I282-L284 PolarHBondContact O-N 3.4Å | ||
| 283 | I | 92.1 | Very high | 93.5 | Very high | 55 Ų | 55 | 55 Ų | 55 | 28% | 0.282 | 25% | 0.25 | S | S | . | . | trans | -83 | 107.8 | 170.9 | -55.9 | 171.2 | 0 | 0 | 0 | 108.5 | P285 F393 P395 | I283-P285 VanDerWaalsContact O-CD 3.22Å; I283-P285 WeakPolarHBondContact O-CD 3.41Å; I283-F393 HydrophobicContact CB-CE2 4.3Å; I283-F393 HydrophobicContact CG2-CE2 4.04Å; I283-F393 HydrophobicContact CG2-CZ 4.35Å; I283-P395 PolarHBondContact N-O 2.88Å | ||
| 284 | L | 94.4 | Very high | 93.1 | Very high | 35 Ų | 35 | 59.7 Ų | 59.7 | 18% | 0.183 | 27% | 0.272 | C | S | . | . | trans | -76.1 | 114.2 | 174 | -61.1 | -177.8 | 0 | 0 | 0 | 110 | V180 L182 V190 A193 I282 F286 | V180-L284 HydrophobicContact CG1-CD2 4.19Å; L182-L284 HydrophobicContact CD1-CD1 3.83Å; L182-L284 HydrophobicContact CD1-CD2 3.87Å; L182-L284 HydrophobicContact CD2-CD1 4.34Å; L182-L284 HydrophobicContact CD2-CD2 4.47Å; V190-L284 HydrophobicContact CG2-CD1 3.67Å; A193-L284 HydrophobicContact CB-CD2 4.43Å; I282-L284 HydrophobicContact CG2-CD2 4.13Å; I282-L284 PolarHBondContact O-N 3.4Å; L284-F286 VanDerWaalsContact C-N 3.27Å; L284-F286 PolarHBondContact O-N 2.8Å | ||
| 285 | P | 95.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -70.3 | -24.8 | -172.9 | -20.4 | 34.2 | 0 | 0 | 0 | 113.6 | I283 S308 N309 F310 F389 V391 F393 P395 | I283-P285 VanDerWaalsContact O-CD 3.22Å; I283-P285 WeakPolarHBondContact O-CD 3.41Å; P285-S308 WeakPolarHBondContact O-CA 3.47Å; P285-N309 PolarHBondContact O-N 2.89Å; P285-F310 HydrophobicContact CB-CD1 4.11Å; P285-F310 VanDerWaalsContact O-CD1 3.25Å; P285-F310 WeakPolarHBondContact O-CD1 3.37Å; P285-F389 HydrophobicContact CB-CE2 4.11Å; P285-F389 HydrophobicContact CB-CZ 4.3Å; P285-F389 HydrophobicContact CG-CE2 3.81Å; P285-F389 HydrophobicContact CG-CZ 3.96Å; P285-V391 HydrophobicContact CB-CG1 4.08Å; P285-V391 HydrophobicContact CB-CG2 4.49Å; P285-V391 HydrophobicContact CG-CG2 4.23Å; P285-F393 HydrophobicContact CB-CE1 4.42Å; P285-F393 HydrophobicContact CB-CZ 4Å; P285-F393 HydrophobicContact CG-CZ 3.87Å; P285-P395 HydrophobicContact CG-CG 4.34Å |
| 286 | F | 95.8 | Very high | 92.2 | Very high | 3 Ų | 3 | 59 Ų | 59 | 1% | 0.013 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 162.8 | 179.5 | -66.9 | -81 | 0 | 0 | 0 | 111.2 | L284 K307 F310 A316 I319 M357 M387 F389 V391 Y430 | L284-F286 VanDerWaalsContact C-N 3.27Å; L284-F286 PolarHBondContact O-N 2.8Å; F286-K307 CarbonylContact C-O 3.59Å; F286-K307 VanDerWaalsContact CA-O 3.23Å; F286-K307 WeakPolarHBondContact CA-O 3.46Å; F286-F310 HydrophobicContact CE1-CE1 4.2Å; F286-F310 HydrophobicContact CE2-CE1 4.32Å; F286-F310 AromaticContact CZ-CE1 3.94Å; F286-F310 HydrophobicContact CZ-CE1 3.94Å; F286-F310 HydrophobicContact CZ-CZ 4.46Å; F286-A316 HydrophobicContact CE2-CB 4.12Å; F286-A316 HydrophobicContact CZ-CB 3.53Å; F286-I319 HydrophobicContact CE1-CD1 4.32Å; F286-I319 HydrophobicContact CZ-CD1 3.9Å; F286-I319 HydrophobicContact CZ-CG1 4.3Å; F286-M357 HydrophobicContact CE1-SD 3.91Å; F286-M387 HydrophobicContact CB-CE 4.01Å; F286-M387 HydrophobicContact CB-SD 3.75Å; F286-M387 HydrophobicContact CD1-CE 3.49Å; F286-M387 VanDerWaalsContact CD1-CE 3.49Å; F286-M387 HydrophobicContact CD1-SD 4.37Å; F286-M387 HydrophobicContact CD2-CE 3.63Å; F286-M387 HydrophobicContact CD2-SD 4.13Å; F286-M387 HydrophobicContact CE1-CE 3.75Å; F286-M387 HydrophobicContact CE2-CE 3.9Å; F286-M387 HydrophobicContact CG-CE 3.41Å; F286-M387 VanDerWaalsContact CG-CE 3.41Å; F286-M387 HydrophobicContact CG-SD 3.83Å; F286-M387 HydrophobicContact CZ-CE 3.94Å; F286-F389 HydrophobicContact CD2-CB 4.34Å; F286-F389 AromaticContact CD2-CD1 3.58Å; F286-F389 HydrophobicContact CD2-CD1 3.58Å; F286-F389 HydrophobicContact CD2-CD2 4.19Å; F286-F389 AromaticContact CD2-CE1 3.83Å; F286-F389 HydrophobicContact CD2-CE1 3.83Å; F286-F389 HydrophobicContact CD2-CE2 4.41Å; F286-F389 AromaticContact CD2-CG 3.77Å; F286-F389 HydrophobicContact CD2-CG 3.77Å; F286-F389 HydrophobicContact CD2-CZ 4.25Å; F286-F389 HydrophobicContact CE2-CB 3.71Å; F286-F389 AromaticContact CE2-CD1 3.84Å; F286-F389 HydrophobicContact CE2-CD1 3.84Å; F286-F389 AromaticContact CE2-CD2 3.89Å; F286-F389 HydrophobicContact CE2-CD2 3.89Å; F286-F389 HydrophobicContact CE2-CE1 4.43Å; F286-F389 HydrophobicContact CE2-CE2 4.49Å; F286-F389 AromaticContact CE2-CG 3.53Å; F286-F389 HydrophobicContact CE2-CG 3.53Å; F286-F389 HydrophobicContact CZ-CB 4.48Å; F286-V391 HydrophobicContact CE2-CG1 4.25Å; F286-Y430 PolarHBondContact O-OH 2.81Å |
| 287 | R | 94.1 | Very high | 91.7 | Very high | 122 Ų | 122 | 69 Ų | 69 | 46% | 0.46 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 122.2 | 164.4 | -173.4 | 174 | -177 | 168.8 | 0.2 | 107.5 | M184 G188 I289 I306 K307 | M184-R287 HydrophobicContact CE-CG 4.27Å; M184-R287 HydrophobicContact SD-CG 4.44Å; G188-R287 PolarHBondContact O-NH2 2.87Å; R287-I289 HydrophobicContact CG-CG1 4.22Å; R287-I306 WeakPolarHBondContact O-CA 3.24Å; R287-K307 HydrophobicContact CB-CB 4.49Å; R287-K307 PolarHBondContact N-O 2.83Å; R287-K307 PolarHBondContact O-N 3.2Å |
| 288 | V | 94.4 | Very high | 91.4 | Very high | 2 Ų | 2 | 67.4 Ų | 67.4 | 1% | 0.012 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 122.8 | 179.1 | -175 | 0 | 0 | 0 | 0 | 108.1 | M184 P290 V304 V305 I306 I385 M387 Y430 | M184-V288 WeakPolarHBondContact CE-O 3.02Å; V288-P290 WeakPolarHBondContact O-CD 3.35Å; V288-V304 HydrophobicContact CG1-CG1 3.67Å; V288-V305 CarbonylContact C-O 3.53Å; V288-I306 HydrophobicContact CG1-CG2 4.31Å; V288-I306 HydrophobicContact CG2-CG2 4.15Å; V288-I385 HydrophobicContact CG1-CG2 4.17Å; V288-M387 HydrophobicContact CG2-CB 4.43Å; V288-M387 HydrophobicContact CG2-SD 3.79Å; V288-Y430 HydrophobicContact CG2-CE1 4.48Å |
| 289 | I | 93.4 | Very high | 91.3 | Very high | 51 Ų | 51 | 70.1 Ų | 70.1 | 26% | 0.262 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 97.5 | -178.5 | -54.4 | 173 | 0 | 0 | 0 | 107.1 | R287 V305 K307 | R287-I289 HydrophobicContact CG-CG1 4.22Å; I289-V305 HydrophobicContact CB-CB 4.31Å; I289-V305 PolarHBondContact N-O 2.96Å; I289-V305 PolarHBondContact O-N 2.83Å; I289-K307 HydrophobicContact CD1-CD 4.34Å |
| 290 | P | 93.5 | Very high | 91.2 | Very high | 10 Ų | 10 | 67.2 Ų | 67.2 | 7% | 0.065 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 137.1 | 174.3 | 30.9 | -31.6 | 0 | 0 | 0 | 111.1 | V288 I385 T432 C434 | V288-P290 WeakPolarHBondContact O-CD 3.35Å; P290-I385 HydrophobicContact CB-CD1 3.69Å; P290-T432 HydrophobicContact CG-CG2 3.87Å; P290-C434 HydrophobicContact CB-CB 3.92Å; P290-C434 HydrophobicContact CG-CB 4.08Å |
| 291 | L | 92.5 | Very high | 91.6 | Very high | 98 Ų | 98 | 63.1 Ų | 63.1 | 51% | 0.513 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 111.8 | 169.8 | -65.3 | 169.5 | 0 | 0 | 0 | 107 | V302 K303 | L291-V302 WeakPolarHBondContact O-CA 2.98Å; L291-K303 HydrophobicContact CB-CB 4.23Å; L291-K303 HydrophobicContact CD1-CD 4.37Å; L291-K303 PolarHBondContact N-O 2.92Å; L291-K303 PolarHBondContact O-N 2.92Å |
| 292 | V | 91.4 | Very high | 92 | Very high | 34 Ų | 34 | 58 Ų | 58 | 21% | 0.206 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 122.6 | -177.4 | -179.2 | 0 | 0 | 0 | 0 | 108.7 | L300 E301 V302 C434 | V292-L300 HydrophobicContact CG1-CD1 3.59Å; V292-L300 HydrophobicContact CG1-CD2 4.47Å; V292-L300 HydrophobicContact CG1-CG 4.21Å; V292-E301 WeakPolarHBondContact CA-O 3.32Å; V292-V302 HydrophobicContact CG1-CG2 4.34Å; V292-V302 HydrophobicContact CG2-CG1 4.3Å; V292-V302 HydrophobicContact CG2-CG2 4.33Å; V292-C434 HydrophobicContact CG2-CB 4.02Å |
| 293 | R | 91.3 | Very high | 92.1 | Very high | 150 Ų | 150 | 60.4 Ų | 60.4 | 57% | 0.566 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 121.8 | 179.2 | -176.1 | 174.8 | 75.7 | 169 | 7.2 | 109.8 | V295 E301 | R293-V295 HydrophobicContact CG-CG2 4.3Å; R293-E301 HydrophobicContact CB-CB 4.4Å; R293-E301 IonicContact CZ-OE1 3.19Å; R293-E301 IonicContact CZ-OE2 2.66Å; R293-E301 PolarHBondContact N-O 3.47Å; R293-E301 IonicContact NE-OE2 2.64Å; R293-E301 PolarHBondContact NE-OE2 2.9Å; R293-E301 IonicContact NH2-OE1 2.74Å; R293-E301 PolarHBondContact NH2-OE1 2.95Å; R293-E301 IonicContact NH2-OE2 3.76Å; R293-E301 PolarHBondContact NH2-OE2 3.41Å; R293-E301 PolarHBondContact O-N 3.09Å |
| 294 | E | 88.8 | Confident | 92.3 | Very high | 99 Ų | 99 | 57.8 Ų | 57.8 | 46% | 0.463 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 129.2 | 170.4 | -75.4 | 169 | -153.7 | 0 | 0 | 109.2 | L300 R382 | E294-L300 HydrophobicContact CB-CD1 4.41Å; E294-L300 HydrophobicContact CG-CD1 3.42Å; E294-L300 VanDerWaalsContact CG-CD1 3.42Å; E294-R382 IonicContact OE1-CZ 3.96Å; E294-R382 IonicContact OE1-NE 3.98Å; E294-R382 IonicContact OE1-NH2 3.9Å; E294-R382 PolarHBondContact OE1-NH2 2.89Å |
| 295 | V | 89.6 | Confident | 92.3 | Very high | 55 Ų | 55 | 56.6 Ų | 56.6 | 33% | 0.333 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 100 | 178.1 | -178.3 | 0 | 0 | 0 | 0 | 107.7 | R293 K299 E301 | R293-V295 HydrophobicContact CG-CG2 4.3Å; V295-K299 HydrophobicContact CB-CB 4.19Å; V295-K299 PolarHBondContact N-O 2.83Å; V295-K299 PolarHBondContact O-N 3.38Å; V295-E301 HydrophobicContact CG2-CG 4.24Å |
| 296 | G | 85.7 | Confident | 92.3 | Very high | 69 Ų | 69 | 56.6 Ų | 56.6 | 71% | 0.711 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | -137 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 297 | R | 84.2 | Confident | 92.3 | Very high | 217 Ų | 217 | 60.2 Ų | 60.2 | 82% | 0.819 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.2 | -3.1 | 178 | -65.8 | -172.5 | 179.3 | 176.7 | 2.3 | 114.1 | ||
| 298 | T | 89.2 | Confident | 92.4 | Very high | 78 Ų | 78 | 54.7 Ų | 54.7 | 48% | 0.479 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.7 | -6.2 | -168.4 | 53.3 | 0 | 0 | 0 | 0 | 113.1 | L371 P373 | T298-L371 PolarHBondContact O-N 2.77Å; T298-P373 HydrophobicContact CG2-CG 4.13Å |
| 299 | K | 91.9 | Very high | 92.4 | Very high | 56 Ų | 56 | 58.8 Ų | 58.8 | 24% | 0.243 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 138.3 | -177.1 | -170.3 | 179.1 | -173.8 | -175.6 | 0 | 111.7 | V295 E301 E368 I369 | V295-K299 HydrophobicContact CB-CB 4.19Å; V295-K299 PolarHBondContact N-O 2.83Å; V295-K299 PolarHBondContact O-N 3.38Å; K299-E301 IonicContact NZ-OE1 2.67Å; K299-E368 VanDerWaalsContact CE-CD 3.47Å; K299-E368 WeakPolarHBondContact CE-OE2 3.12Å; K299-E368 IonicContact NZ-OE1 3.03Å; K299-E368 PolarHBondContact NZ-OE1 3.24Å; K299-E368 VanDerWaalsContact NZ-OE1 3.15Å; K299-E368 IonicContact NZ-OE2 2.59Å; K299-E368 PolarHBondContact NZ-OE2 2.69Å; K299-I369 CarbonylContact C-O 3.54Å; K299-I369 WeakPolarHBondContact CA-O 3.33Å |
| 300 | L | 92.7 | Very high | 92.5 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 123.7 | 173.1 | -176.6 | 75.9 | 0 | 0 | 0 | 108.5 | V292 E294 V302 P326 I369 L371 W380 | V292-L300 HydrophobicContact CG1-CD1 3.59Å; V292-L300 HydrophobicContact CG1-CD2 4.47Å; V292-L300 HydrophobicContact CG1-CG 4.21Å; E294-L300 HydrophobicContact CB-CD1 4.41Å; E294-L300 HydrophobicContact CG-CD1 3.42Å; E294-L300 VanDerWaalsContact CG-CD1 3.42Å; L300-V302 HydrophobicContact CD2-CG2 4.04Å; L300-V302 HydrophobicContact CG-CG2 4.06Å; L300-P326 HydrophobicContact CD2-CG 3.94Å; L300-I369 HydrophobicContact CB-CB 4.2Å; L300-I369 HydrophobicContact CD2-CD1 4.12Å; L300-I369 PolarHBondContact N-O 2.84Å; L300-I369 PolarHBondContact O-N 3.09Å; L300-L371 HydrophobicContact CB-CD1 4.13Å; L300-L371 HydrophobicContact CB-CG 4.49Å; L300-W380 HydrophobicContact CD2-CE3 4.33Å; L300-W380 HydrophobicContact CD2-CZ3 3.74Å |
| 301 | E | 94.8 | Very high | 92.6 | Very high | 44 Ų | 44 | 63.7 Ų | 63.7 | 21% | 0.206 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 128.5 | 174.6 | -67.8 | 176.2 | -164.2 | 0 | 0 | 109.7 | V292 R293 V295 K299 A367 | V292-E301 WeakPolarHBondContact CA-O 3.32Å; R293-E301 HydrophobicContact CB-CB 4.4Å; R293-E301 IonicContact CZ-OE1 3.19Å; R293-E301 IonicContact CZ-OE2 2.66Å; R293-E301 PolarHBondContact N-O 3.47Å; R293-E301 IonicContact NE-OE2 2.64Å; R293-E301 PolarHBondContact NE-OE2 2.9Å; R293-E301 IonicContact NH2-OE1 2.74Å; R293-E301 PolarHBondContact NH2-OE1 2.95Å; R293-E301 IonicContact NH2-OE2 3.76Å; R293-E301 PolarHBondContact NH2-OE2 3.41Å; R293-E301 PolarHBondContact O-N 3.09Å; V295-E301 HydrophobicContact CG2-CG 4.24Å; K299-E301 IonicContact NZ-OE1 2.67Å; E301-A367 WeakPolarHBondContact CA-O 3.4Å |
| 302 | V | 94.6 | Very high | 92.8 | Very high | 9 Ų | 9 | 63.1 Ų | 63.1 | 6% | 0.055 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 120 | -178.2 | -178.8 | 0 | 0 | 0 | 0 | 109 | L291 V292 L300 V304 I323 S366 A367 I369 | L291-V302 WeakPolarHBondContact O-CA 2.98Å; V292-V302 HydrophobicContact CG1-CG2 4.34Å; V292-V302 HydrophobicContact CG2-CG1 4.3Å; V292-V302 HydrophobicContact CG2-CG2 4.33Å; L300-V302 HydrophobicContact CD2-CG2 4.04Å; L300-V302 HydrophobicContact CG-CG2 4.06Å; V302-V304 HydrophobicContact CG1-CG2 3.87Å; V302-I323 HydrophobicContact CG1-CG2 3.86Å; V302-S366 CarbonylContact O-C 3.43Å; V302-S366 WeakPolarHBondContact O-CA 3.3Å; V302-A367 PolarHBondContact N-O 2.76Å; V302-A367 PolarHBondContact O-N 3.38Å; V302-I369 HydrophobicContact CG2-CD1 3.83Å |
| 303 | K | 95.2 | Very high | 93 | Very high | 80 Ų | 80 | 66.5 Ų | 66.5 | 35% | 0.348 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 125.4 | 170.2 | -178.9 | 177.2 | -177.7 | 178.7 | 0 | 108.9 | L291 I365 | L291-K303 HydrophobicContact CB-CB 4.23Å; L291-K303 HydrophobicContact CD1-CD 4.37Å; L291-K303 PolarHBondContact N-O 2.92Å; L291-K303 PolarHBondContact O-N 2.92Å; K303-I365 WeakPolarHBondContact CA-O 3.37Å |
| 304 | V | 95.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 122.7 | 177.6 | -176.1 | 0 | 0 | 0 | 0 | 108.8 | V288 V302 I306 I323 Q364 I365 I385 | V288-V304 HydrophobicContact CG1-CG1 3.67Å; V302-V304 HydrophobicContact CG1-CG2 3.87Å; V304-I306 HydrophobicContact CG1-CG2 4.38Å; V304-I323 HydrophobicContact CB-CD1 4.15Å; V304-I323 HydrophobicContact CG2-CD1 3.68Å; V304-I323 HydrophobicContact CG2-CG1 4.08Å; V304-I323 HydrophobicContact CG2-CG2 4.39Å; V304-Q364 VanDerWaalsContact O-CA 3.3Å; V304-Q364 WeakPolarHBondContact O-CA 3.27Å; V304-I365 HydrophobicContact CB-CG2 3.76Å; V304-I365 HydrophobicContact CG2-CG2 4.47Å; V304-I365 PolarHBondContact N-O 2.81Å; V304-I365 PolarHBondContact O-N 2.51Å; V304-I385 HydrophobicContact CG1-CD1 4.33Å; V304-I385 HydrophobicContact CG2-CD1 3.56Å |
| 305 | V | 95.1 | Very high | 93.6 | Very high | 11 Ų | 11 | 60.5 Ų | 60.5 | 7% | 0.067 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 126.7 | 175 | 178.4 | 0 | 0 | 0 | 0 | 108.4 | V288 I289 K307 E362 Q364 | V288-V305 CarbonylContact C-O 3.53Å; I289-V305 HydrophobicContact CB-CB 4.31Å; I289-V305 PolarHBondContact N-O 2.96Å; I289-V305 PolarHBondContact O-N 2.83Å; V305-K307 HydrophobicContact CG1-CG 4.18Å; V305-E362 HydrophobicContact CG1-CG 3.69Å; V305-E362 WeakPolarHBondContact CG1-OE1 3.3Å; V305-Q364 HydrophobicContact CG2-CB 4.07Å |
| 306 | I | 95.4 | Very high | 94 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 130.4 | 171.5 | 63.4 | 174 | 0 | 0 | 0 | 109.8 | R287 V288 V304 V321 W352 I354 M357 E362 S363 M387 | R287-I306 WeakPolarHBondContact O-CA 3.24Å; V288-I306 HydrophobicContact CG1-CG2 4.31Å; V288-I306 HydrophobicContact CG2-CG2 4.15Å; V304-I306 HydrophobicContact CG1-CG2 4.38Å; I306-V321 HydrophobicContact CD1-CG2 4.38Å; I306-V321 HydrophobicContact CG2-CG2 4.15Å; I306-W352 HydrophobicContact CB-CZ3 4.47Å; I306-W352 HydrophobicContact CD1-CE3 4.4Å; I306-W352 HydrophobicContact CD1-CH2 3.66Å; I306-W352 HydrophobicContact CD1-CZ2 4.44Å; I306-W352 HydrophobicContact CD1-CZ3 3.64Å; I306-W352 HydrophobicContact CG1-CH2 3.69Å; I306-W352 HydrophobicContact CG1-CZ3 3.74Å; I306-W352 HydrophobicContact CG2-CZ3 3.97Å; I306-I354 HydrophobicContact CD1-CD1 3.51Å; I306-M357 HydrophobicContact CD1-CE 3.76Å; I306-M357 HydrophobicContact CD1-SD 4.28Å; I306-M357 HydrophobicContact CG1-CE 4.11Å; I306-E362 WeakPolarHBondContact O-CA 3.35Å; I306-S363 WeakPolarHBondContact CG1-O 3.22Å; I306-S363 PolarHBondContact N-O 3.2Å; I306-S363 PolarHBondContact O-N 3.36Å; I306-M387 HydrophobicContact CD1-CE 4.33Å |
| 307 | K | 95.6 | Very high | 94.6 | Very high | 79 Ų | 79 | 59.4 Ų | 59.4 | 34% | 0.343 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 126.1 | 175.5 | -55.9 | -168.7 | -174.5 | -132.4 | 0 | 108.9 | F286 R287 I289 V305 K361 E362 | F286-K307 CarbonylContact C-O 3.59Å; F286-K307 VanDerWaalsContact CA-O 3.23Å; F286-K307 WeakPolarHBondContact CA-O 3.46Å; R287-K307 HydrophobicContact CB-CB 4.49Å; R287-K307 PolarHBondContact N-O 2.83Å; R287-K307 PolarHBondContact O-N 3.2Å; I289-K307 HydrophobicContact CD1-CD 4.34Å; V305-K307 HydrophobicContact CG1-CG 4.18Å; K307-K361 WeakPolarHBondContact CA-O 3.41Å; K307-E362 WeakPolarHBondContact CE-OE2 2.87Å; K307-E362 HydrophobicContact CG-CB 4.47Å; K307-E362 HydrophobicContact CG-CG 4.04Å; K307-E362 IonicContact NZ-OE1 3.15Å; K307-E362 PolarHBondContact NZ-OE1 3.42Å; K307-E362 IonicContact NZ-OE2 3.91Å; K307-E362 PolarHBondContact NZ-OE2 3.3Å |
| 308 | S | 96.6 | Very high | 95.1 | Very high | 5 Ų | 5 | 55.7 Ų | 55.7 | 4% | 0.035 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 131.9 | 172 | 56.3 | 0 | 0 | 0 | 0 | 110.4 | P285 A358 M360 K361 | P285-S308 WeakPolarHBondContact O-CA 3.47Å; S308-A358 PolarHBondContact OG-O 2.9Å; S308-M360 VanDerWaalsContact O-CA 3.24Å; S308-M360 WeakPolarHBondContact O-CA 3.47Å; S308-M360 PolarHBondContact O-N 2.93Å; S308-M360 VanDerWaalsContact O-N 3.08Å; S308-M360 PolarHBondContact OG-N 2.91Å; S308-M360 VanDerWaalsContact OG-N 3.17Å; S308-K361 PolarHBondContact N-O 3.46Å; S308-K361 PolarHBondContact OG-N 3.08Å; S308-K361 PolarHBondContact OG-O 3.14Å; S308-K361 VanDerWaalsContact OG-O 3.11Å |
| 309 | N | 94.6 | Very high | 95.5 | Very high | 89 Ų | 89 | 52.1 Ų | 52.1 | 48% | 0.476 | 26% | 0.263 | S | S | . | . | trans | -124.6 | 65.4 | -175.3 | -173.2 | 48.5 | 0 | 0 | 0 | 111.1 | P285 | P285-N309 PolarHBondContact O-N 2.89Š| ||
| 310 | F | 95.4 | Very high | 95.8 | Very high | 15 Ų | 15 | 51.9 Ų | 51.9 | 7% | 0.066 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -152.9 | 174.7 | 175.7 | 55.2 | -94.7 | 0 | 0 | 0 | 109.4 | P285 F286 L314 A316 G359 M360 V391 F393 | P285-F310 HydrophobicContact CB-CD1 4.11Å; P285-F310 VanDerWaalsContact O-CD1 3.25Å; P285-F310 WeakPolarHBondContact O-CD1 3.37Å; F286-F310 HydrophobicContact CE1-CE1 4.2Å; F286-F310 HydrophobicContact CE2-CE1 4.32Å; F286-F310 AromaticContact CZ-CE1 3.94Å; F286-F310 HydrophobicContact CZ-CE1 3.94Å; F286-F310 HydrophobicContact CZ-CZ 4.46Å; F310-L314 HydrophobicContact CD2-CB 3.91Å; F310-L314 HydrophobicContact CE2-CB 4.08Å; F310-L314 WeakPolarHBondContact CE2-O 3.32Å; F310-A316 HydrophobicContact CE1-CB 4.17Å; F310-A316 HydrophobicContact CZ-CB 3.65Å; F310-G359 VanDerWaalsContact CD2-CA 3.47Å; F310-G359 CarbonylContact O-C 3.51Å; F310-G359 VanDerWaalsContact O-CA 3.23Å; F310-G359 WeakPolarHBondContact O-CA 3.28Å; F310-M360 WeakPolarHBondContact O-CG 3.32Å; F310-M360 PolarHBondContact O-N 3.1Å; F310-V391 HydrophobicContact CE1-CG1 4.35Å; F310-F393 HydrophobicContact CB-CE1 3.73Å; F310-F393 HydrophobicContact CB-CZ 3.87Å; F310-F393 HydrophobicContact CD1-CE1 4.25Å; F310-F393 HydrophobicContact CD2-CE1 4.44Å; F310-F393 AromaticContact CG-CE1 3.91Å; F310-F393 HydrophobicContact CG-CE1 3.91Å; F310-F393 HydrophobicContact CG-CZ 4.41Å |
| 311 | K | 95.6 | Very high | 96 | Very high | 148 Ų | 148 | 51.9 Ų | 51.9 | 64% | 0.643 | 26% | 0.262 | S | S | * | . | trans | -52.6 | 131.8 | -175.2 | -69.5 | -176.5 | 176.9 | -177.7 | 0 | 112.1 | S313 L314 | K311-S313 PolarHBondContact O-N 2.86Å; K311-S313 VanDerWaalsContact O-N 3.14Å; K311-L314 HydrophobicContact CB-CD1 4.16Å; K311-L314 HydrophobicContact CB-CG 4.11Å; K311-L314 PolarHBondContact O-N 2.82Å | ||
| 312 | P | 95.9 | Very high | 96.1 | Very high | 87 Ų | 87 | 53.3 Ų | 53.3 | 57% | 0.565 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -27.8 | -179.1 | -26.6 | 33.9 | 0 | 0 | 0 | 115.2 | L314 M360 | P312-L314 VanDerWaalsContact C-N 3.27Å; P312-L314 PolarHBondContact O-N 2.83Å; P312-M360 HydrophobicContact CG-CB 4.13Å; P312-M360 HydrophobicContact CG-CG 3.84Å |
| 313 | S | 95.9 | Very high | 96.2 | Very high | 104 Ų | 104 | 53.1 Ų | 53.1 | 73% | 0.727 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -19.4 | 178 | 56 | 0 | 0 | 0 | 0 | 113.8 | K311 | K311-S313 PolarHBondContact O-N 2.86Å; K311-S313 VanDerWaalsContact O-N 3.14Å |
| 314 | L | 96.1 | Very high | 96.3 | Very high | 45 Ų | 45 | 50 Ų | 50 | 24% | 0.236 | 25% | 0.252 | C | S | . | . | trans | -87.1 | 148.7 | 178 | -57 | 179.1 | 0 | 0 | 0 | 110.1 | F310 K311 P312 A358 G359 P392 F393 | F310-L314 HydrophobicContact CD2-CB 3.91Å; F310-L314 HydrophobicContact CE2-CB 4.08Å; F310-L314 WeakPolarHBondContact CE2-O 3.32Å; K311-L314 HydrophobicContact CB-CD1 4.16Å; K311-L314 HydrophobicContact CB-CG 4.11Å; K311-L314 PolarHBondContact O-N 2.82Å; P312-L314 VanDerWaalsContact C-N 3.27Å; P312-L314 PolarHBondContact O-N 2.83Å; L314-A358 WeakPolarHBondContact O-CA 3.45Å; L314-G359 PolarHBondContact O-N 3.43Å; L314-P392 HydrophobicContact CB-CG 4.2Å; L314-P392 HydrophobicContact CD2-CG 4.2Å; L314-F393 HydrophobicContact CD1-CB 4.24Å; L314-F393 HydrophobicContact CD1-CD1 3.96Å; L314-F393 HydrophobicContact CD1-CG 4.39Å | ||
| 315 | L | 97.1 | Very high | 96.2 | Very high | 79 Ų | 79 | 50.2 Ų | 50.2 | 41% | 0.414 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 117.1 | 177.8 | -62.2 | 178.8 | 0 | 0 | 0 | 109.3 | A358 P392 | L315-A358 HydrophobicContact CD2-CB 3.69Å; L315-P392 WeakPolarHBondContact O-CD 3.42Å |
| 316 | A | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 146.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | F286 F310 I319 R356 M357 E390 V391 | F286-A316 HydrophobicContact CE2-CB 4.12Å; F286-A316 HydrophobicContact CZ-CB 3.53Å; F310-A316 HydrophobicContact CE1-CB 4.17Å; F310-A316 HydrophobicContact CZ-CB 3.65Å; A316-I319 HydrophobicContact CB-CD1 3.88Å; A316-I319 HydrophobicContact CB-CG1 4.28Å; A316-R356 CarbonylContact O-C 3.58Å; A316-R356 WeakPolarHBondContact O-CA 3.42Å; A316-M357 PolarHBondContact N-O 3.34Å; A316-M357 PolarHBondContact O-N 3.42Å; A316-E390 CarbonylContact C-O 3.53Å; A316-E390 VanDerWaalsContact CA-O 3.29Å; A316-E390 WeakPolarHBondContact CA-O 3.42Å; A316-V391 HydrophobicContact CB-CG1 3.78Å |
| 317 | Q | 97.1 | Very high | 95.8 | Very high | 101 Ų | 101 | 56.6 Ų | 56.6 | 47% | 0.472 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 169.4 | -177.9 | -57.2 | -172.6 | 11.7 | 0 | 0 | 111 | I319 E390 | Q317-I319 PolarHBondContact O-N 3Å; Q317-I319 VanDerWaalsContact O-N 3.16Å; Q317-E390 PolarHBondContact N-O 2.83Å; Q317-E390 PolarHBondContact O-N 2.81Å |
| 318 | K | 95.9 | Very high | 95.5 | Very high | 139 Ų | 139 | 54.6 Ų | 54.6 | 60% | 0.604 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 50.3 | 42.2 | 176.8 | -59.4 | 177.6 | -170.9 | 157 | 0 | 112.5 | E320 E390 | K318-E320 PolarHBondContact O-N 2.93Å; K318-E390 IonicContact NZ-OE2 3.32Å; K318-E390 PolarHBondContact NZ-OE2 3.36Å |
| 319 | I | 97.8 | Very high | 95.4 | Very high | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 122.5 | -176.5 | -54.1 | 168.2 | 0 | 0 | 0 | 108.5 | F286 A316 Q317 K353 I354 M357 M387 N388 F389 | F286-I319 HydrophobicContact CE1-CD1 4.32Å; F286-I319 HydrophobicContact CZ-CD1 3.9Å; F286-I319 HydrophobicContact CZ-CG1 4.3Å; A316-I319 HydrophobicContact CB-CD1 3.88Å; A316-I319 HydrophobicContact CB-CG1 4.28Å; Q317-I319 PolarHBondContact O-N 3Å; Q317-I319 VanDerWaalsContact O-N 3.16Å; I319-K353 CarbonylContact O-C 3.58Å; I319-K353 WeakPolarHBondContact O-CA 3.23Å; I319-I354 HydrophobicContact CB-CB 4.12Å; I319-I354 WeakPolarHBondContact CB-O 3.43Å; I319-I354 HydrophobicContact CG2-CB 4.44Å; I319-I354 PolarHBondContact N-O 2.78Å; I319-I354 PolarHBondContact O-N 3.22Å; I319-M357 HydrophobicContact CD1-CB 3.38Å; I319-M387 HydrophobicContact CG2-CE 3.4Å; I319-M387 VanDerWaalsContact CG2-CE 3.4Å; I319-N388 CarbonylContact C-O 3.51Å; I319-N388 VanDerWaalsContact CA-O 3.26Å; I319-N388 WeakPolarHBondContact CA-O 3.39Å; I319-F389 HydrophobicContact CG1-CB 4.28Å |
| 320 | E | 97.6 | Very high | 95.2 | Very high | 52 Ų | 52 | 54.1 Ų | 54.1 | 24% | 0.243 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 112.3 | 179.2 | 178.3 | 164.6 | 174.4 | 0 | 0 | 109.4 | K318 V351 W352 K353 M387 N388 | K318-E320 PolarHBondContact O-N 2.93Å; E320-V351 HydrophobicContact CG-CG1 3.8Å; E320-V351 WeakPolarHBondContact OE1-CG1 3.05Å; E320-W352 CarbonylContact C-O 3.59Å; E320-W352 WeakPolarHBondContact CA-O 3.22Å; E320-K353 HydrophobicContact CB-CG 4.47Å; E320-K353 VanDerWaalsContact CD-CE 3.49Å; E320-K353 HydrophobicContact CG-CG 4.17Å; E320-K353 WeakPolarHBondContact OE1-CE 3.34Å; E320-K353 IonicContact OE1-NZ 2.71Å; E320-K353 PolarHBondContact OE1-NZ 3.29Å; E320-K353 VanDerWaalsContact OE2-CE 3.31Å; E320-K353 WeakPolarHBondContact OE2-CE 3.2Å; E320-K353 IonicContact OE2-NZ 2.7Å; E320-K353 PolarHBondContact OE2-NZ 3.15Å; E320-M387 CarbonylContact O-C 3.55Å; E320-M387 WeakPolarHBondContact O-CA 3.5Å; E320-N388 HydrophobicContact CB-CB 4.32Å; E320-N388 PolarHBondContact N-O 2.9Å; E320-N388 PolarHBondContact O-N 2.92Å |
| 321 | V | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 126.4 | 175.1 | -173.2 | 0 | 0 | 0 | 0 | 108 | I306 I323 W352 I385 S386 M387 | I306-V321 HydrophobicContact CD1-CG2 4.38Å; I306-V321 HydrophobicContact CG2-CG2 4.15Å; V321-I323 HydrophobicContact CG1-CG1 4.05Å; V321-W352 HydrophobicContact CB-CB 4.31Å; V321-W352 HydrophobicContact CB-CE3 4Å; V321-W352 HydrophobicContact CG1-CE3 4.5Å; V321-W352 HydrophobicContact CG2-CE3 3.85Å; V321-W352 HydrophobicContact CG2-CZ3 4.38Å; V321-W352 PolarHBondContact N-O 2.67Å; V321-W352 PolarHBondContact O-N 2.93Å; V321-I385 HydrophobicContact CG1-CG2 3.67Å; V321-S386 WeakPolarHBondContact CA-O 3.33Å; V321-M387 HydrophobicContact CG2-CE 4.38Å; V321-M387 HydrophobicContact CG2-CG 4.04Å; V321-M387 HydrophobicContact CG2-SD 4.42Å |
| 322 | R | 97.4 | Very high | 95.1 | Very high | 75 Ų | 75 | 48.9 Ų | 48.9 | 28% | 0.283 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 117 | 176.6 | 178.8 | -174.1 | 179.7 | 75.3 | 5.1 | 108.8 | E347 A349 I385 S386 | R322-E347 IonicContact CZ-OE2 3.68Å; R322-E347 IonicContact NH1-OE2 3.47Å; R322-E347 PolarHBondContact NH1-OE2 3.05Å; R322-E347 PolarHBondContact NH2-O 3.14Å; R322-A349 HydrophobicContact CG-CB 3.99Å; R322-I385 WeakPolarHBondContact O-CA 3.48Å; R322-I385 WeakPolarHBondContact O-CG2 3.5Å; R322-S386 WeakPolarHBondContact CB-OG 3.28Å; R322-S386 PolarHBondContact N-O 3.23Å; R322-S386 PolarHBondContact O-N 2.78Å; R322-S386 VanDerWaalsContact O-N 3.09Å |
| 323 | I | 96.8 | Very high | 95.1 | Very high | 4 Ų | 4 | 50.3 Ų | 50.3 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 106.3 | -178.4 | -53.6 | 166.7 | 0 | 0 | 0 | 107.2 | V302 V304 V321 A349 I350 I365 I385 | V302-I323 HydrophobicContact CG1-CG2 3.86Å; V304-I323 HydrophobicContact CB-CD1 4.15Å; V304-I323 HydrophobicContact CG2-CD1 3.68Å; V304-I323 HydrophobicContact CG2-CG1 4.08Å; V304-I323 HydrophobicContact CG2-CG2 4.39Å; V321-I323 HydrophobicContact CG1-CG1 4.05Å; I323-A349 CarbonylContact O-C 3.57Å; I323-A349 VanDerWaalsContact O-CA 3.27Å; I323-A349 WeakPolarHBondContact O-CA 3.32Å; I323-I350 HydrophobicContact CB-CB 4.24Å; I323-I350 PolarHBondContact N-O 2.76Å; I323-I350 PolarHBondContact O-N 2.92Å; I323-I365 HydrophobicContact CD1-CD1 4.32Å; I323-I365 HydrophobicContact CD1-CG2 3.8Å; I323-I385 HydrophobicContact CG1-CD1 4.36Å; I323-I385 HydrophobicContact CG1-CG2 4.21Å; I323-I385 HydrophobicContact CG2-CD1 4.12Å; I323-I385 HydrophobicContact CG2-CG1 4.48Å |
| 324 | P | 95.9 | Very high | 95.1 | Very high | 15 Ų | 15 | 47.7 Ų | 47.7 | 10% | 0.097 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 145.1 | 178.8 | -25.4 | 37.2 | 0 | 0 | 0 | 112.1 | W380 P383 P384 | P324-W380 HydrophobicContact CB-CZ2 4.38Å; P324-P383 HydrophobicContact CB-CB 3.99Å; P324-P383 HydrophobicContact CB-CG 3.89Å; P324-P383 HydrophobicContact CG-CB 3.88Å; P324-P383 HydrophobicContact CG-CG 4.36Å; P324-P383 WeakPolarHBondContact CG-O 3.46Å; P324-P384 WeakPolarHBondContact CG-O 3.3Å |
| 325 | T | 94.2 | Very high | 95 | Very high | 5 Ų | 5 | 51.1 Ų | 51.1 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | trans | -117.8 | 156.4 | 172.6 | 66.1 | 0 | 0 | 0 | 0 | 109.8 | Y343 N348 I350 I369 W380 | T325-Y343 HydrophobicContact CG2-CD2 4.4Å; T325-Y343 HydrophobicContact CG2-CE2 4.21Å; T325-Y343 WeakPolarHBondContact OG1-CE2 3.4Å; T325-N348 PolarHBondContact N-O 3.19Å; T325-N348 PolarHBondContact OG1-O 2.78Å; T325-I350 HydrophobicContact CG2-CD1 4.16Å; T325-I350 HydrophobicContact CG2-CG1 3.86Å; T325-I369 HydrophobicContact CG2-CD1 3.72Å; T325-I369 HydrophobicContact CG2-CG1 4.4Å; T325-W380 VanDerWaalsContact C-CZ2 3.41Å | ||
| 326 | P | 92.3 | Very high | 94.7 | Very high | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.019 | 26% | 0.257 | C | S | . | . | trans | -58.3 | 156.7 | 172.7 | -26.5 | 37.1 | 0 | 0 | 0 | 113.2 | L300 N328 T329 L371 W380 | L300-P326 HydrophobicContact CD2-CG 3.94Å; P326-N328 VanDerWaalsContact C-N 3.27Å; P326-N328 WeakPolarHBondContact CB-OD1 3.46Å; P326-N328 PolarHBondContact O-N 2.92Å; P326-T329 WeakPolarHBondContact O-CB 3.38Å; P326-T329 PolarHBondContact O-N 2.79Å; P326-T329 PolarHBondContact O-OG1 2.84Å; P326-L371 HydrophobicContact CB-CD2 3.8Å; P326-L371 HydrophobicContact CG-CD2 3.67Å; P326-W380 HydrophobicContact CB-CD2 4.21Å; P326-W380 HydrophobicContact CB-CG 4.44Å; P326-W380 HydrophobicContact CG-CD2 3.74Å; P326-W380 HydrophobicContact CG-CE3 3.68Å; P326-W380 HydrophobicContact CG-CG 4.37Å; P326-W380 HydrophobicContact CG-CH2 4.06Å; P326-W380 HydrophobicContact CG-CZ2 4.09Å; P326-W380 HydrophobicContact CG-CZ3 3.85Å | ||
| 327 | L | 89 | Confident | 93.9 | Very high | 142 Ų | 142 | 56.6 Ų | 56.6 | 74% | 0.743 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -25.3 | 178.2 | -64.7 | 177.6 | 0 | 0 | 0 | 112.8 | T329 N348 | L327-T329 VanDerWaalsContact C-N 3.26Å; L327-T329 PolarHBondContact O-N 2.74Å; L327-N348 HydrophobicContact CD2-CB 4.25Å; L327-N348 WeakPolarHBondContact CD2-ND2 3.45Å |
| 328 | N | 90.3 | Very high | 93.6 | Very high | 37 Ų | 37 | 55.4 Ų | 55.4 | 20% | 0.198 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 22.3 | 178.7 | 65 | -32.3 | 0 | 0 | 0 | 112.8 | P326 S330 L372 T374 | P326-N328 VanDerWaalsContact C-N 3.27Å; P326-N328 WeakPolarHBondContact CB-OD1 3.46Å; P326-N328 PolarHBondContact O-N 2.92Å; N328-S330 PolarHBondContact O-N 3.44Å; N328-L372 HydrophobicContact CB-CB 4.43Å; N328-L372 PolarHBondContact ND2-O 2.83Å; N328-L372 PolarHBondContact O-N 3.33Å; N328-T374 HydrophobicContact CB-CG2 4.01Å |
| 329 | T | 92.8 | Very high | 93.5 | Very high | 19 Ų | 19 | 51.1 Ų | 51.1 | 12% | 0.117 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 119.2 | 177.2 | -70.1 | 0 | 0 | 0 | 0 | 111.3 | P326 L327 V332 Y343 I369 E370 | P326-T329 WeakPolarHBondContact O-CB 3.38Å; P326-T329 PolarHBondContact O-N 2.79Å; P326-T329 PolarHBondContact O-OG1 2.84Å; L327-T329 VanDerWaalsContact C-N 3.26Å; L327-T329 PolarHBondContact O-N 2.74Å; T329-V332 HydrophobicContact CG2-CG2 3.43Å; T329-V332 VanDerWaalsContact CG2-CG2 3.43Å; T329-Y343 HydrophobicContact CG2-CE1 4.29Å; T329-Y343 HydrophobicContact CG2-CE2 4.31Å; T329-I369 HydrophobicContact CG2-CG2 3.72Å; T329-I369 WeakPolarHBondContact OG1-CG2 3.42Å; T329-E370 WeakPolarHBondContact CA-O 3.48Å |
| 330 | S | 91.9 | Very high | 93.4 | Very high | 65 Ų | 65 | 58.7 Ų | 58.7 | 46% | 0.455 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | -38.4 | 174 | 50.3 | 0 | 0 | 0 | 0 | 112.8 | N328 E370 | N328-S330 PolarHBondContact O-N 3.44Å; S330-E370 PolarHBondContact N-O 2.8Å; S330-E370 VanDerWaalsContact OG-CB 3.28Å; S330-E370 WeakPolarHBondContact OG-CB 3.28Å; S330-E370 PolarHBondContact OG-O 3.04Å |
| 331 | G | 92.6 | Very high | 93.3 | Very high | 18 Ų | 18 | 57.4 Ų | 57.4 | 19% | 0.186 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 149.5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | I369 E370 | G331-I369 WeakPolarHBondContact O-CA 3.45Å; G331-E370 PolarHBondContact O-N 2.81Å |
| 332 | V | 96.2 | Very high | 93.2 | Very high | 35 Ų | 35 | 64.2 Ų | 64.2 | 21% | 0.212 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 118.2 | 178.6 | -178.9 | 0 | 0 | 0 | 0 | 109.7 | T329 V334 Y343 I350 E368 I369 | T329-V332 HydrophobicContact CG2-CG2 3.43Å; T329-V332 VanDerWaalsContact CG2-CG2 3.43Å; V332-V334 HydrophobicContact CG1-CG2 3.79Å; V332-Y343 HydrophobicContact CB-CD1 4.22Å; V332-Y343 HydrophobicContact CB-CD2 4.43Å; V332-Y343 HydrophobicContact CB-CG 3.96Å; V332-Y343 HydrophobicContact CG1-CG 4.43Å; V332-Y343 HydrophobicContact CG2-CD1 3.85Å; V332-Y343 HydrophobicContact CG2-CD2 3.76Å; V332-Y343 HydrophobicContact CG2-CE1 4.1Å; V332-Y343 HydrophobicContact CG2-CE2 4.04Å; V332-Y343 HydrophobicContact CG2-CG 3.67Å; V332-I350 HydrophobicContact CG1-CD1 3.65Å; V332-I350 HydrophobicContact CG1-CG1 3.91Å; V332-E368 CarbonylContact C-O 3.58Å; V332-E368 WeakPolarHBondContact CA-O 3.11Å; V332-I369 HydrophobicContact CG1-CG1 4.35Å; V332-I369 HydrophobicContact CG2-CG1 4.31Å; V332-I369 HydrophobicContact CG2-CG2 4.37Å |
| 333 | Q | 95.6 | Very high | 93.2 | Very high | 116 Ų | 116 | 63.5 Ų | 63.5 | 54% | 0.542 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 131.9 | 170.1 | -60 | -171.9 | -4.9 | 0 | 0 | 109.2 | A367 E368 | Q333-A367 CarbonylContact O-C 3.53Å; Q333-A367 WeakPolarHBondContact O-CA 3.36Å; Q333-E368 HydrophobicContact CB-CB 4.37Å; Q333-E368 PolarHBondContact N-O 2.88Å; Q333-E368 PolarHBondContact O-N 2.8Å |
| 334 | V | 95.4 | Very high | 93.1 | Very high | 49 Ų | 49 | 66.3 Ų | 66.3 | 30% | 0.297 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 132 | -176.1 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | V332 C336 A341 I350 I365 A367 | V332-V334 HydrophobicContact CG1-CG2 3.79Å; V334-C336 HydrophobicContact CG1-CB 4.28Å; V334-A341 HydrophobicContact CG1-CB 3.54Å; V334-I350 HydrophobicContact CG2-CD1 4.06Å; V334-I350 HydrophobicContact CG2-CG2 4.11Å; V334-I365 HydrophobicContact CG1-CD1 3.63Å; V334-I365 HydrophobicContact CG1-CG1 3.78Å; V334-A367 HydrophobicContact CG2-CB 3.98Å |
| 335 | I | 94.1 | Very high | 92.9 | Very high | 117 Ų | 117 | 68.6 Ų | 68.6 | 60% | 0.6 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 118.4 | 172.2 | -57.3 | 172.6 | 0 | 0 | 0 | 107.7 | I365 S366 | I335-I365 WeakPolarHBondContact O-CA 3.42Å; I335-S366 PolarHBondContact N-O 3.38Å; I335-S366 PolarHBondContact O-N 2.65Å |
| 336 | C | 91.4 | Very high | 92.8 | Very high | 38 Ų | 38 | 73.7 Ų | 73.7 | 26% | 0.257 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 121.7 | -176.4 | 166.6 | 0 | 0 | 0 | 0 | 110 | V334 K338 A341 W352 I365 | V334-C336 HydrophobicContact CG1-CB 4.28Å; C336-K338 VanDerWaalsContact SG-C 3.57Å; C336-K338 PolarHBondContact SG-O 3.31Å; C336-A341 HydrophobicContact CB-CB 4.17Å; C336-W352 PolarHBondContact SG-NE1 2.99Å; C336-I365 HydrophobicContact CB-CG1 4.31Å |
| 337 | M | 80.5 | Confident | 92.8 | Very high | 156 Ų | 156 | 76.8 Ų | 76.8 | 77% | 0.768 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -81.1 | -26.2 | -179.3 | -64.6 | -62.9 | -72.5 | 0 | 0 | 113.2 | ||
| 338 | K | 89.9 | Confident | 93 | Very high | 77 Ų | 77 | 72.4 Ų | 72.4 | 34% | 0.335 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -143 | 129.5 | -175.4 | -174.7 | -179.1 | 179.2 | 178.9 | 0 | 111.5 | C336 W352 I354 R356 M357 S363 | C336-K338 VanDerWaalsContact SG-C 3.57Å; C336-K338 PolarHBondContact SG-O 3.31Å; K338-W352 PolarHBondContact O-NE1 3.47Å; K338-I354 HydrophobicContact CD-CG2 4.29Å; K338-I354 HydrophobicContact CG-CG2 4.27Å; K338-R356 WeakPolarHBondContact CE-O 3.28Å; K338-R356 PolarHBondContact NZ-O 2.92Å; K338-M357 HydrophobicContact CD-CE 4.42Å; K338-S363 WeakPolarHBondContact CB-OG 3.46Å |
| 339 | G | 93.3 | Very high | 93.3 | Very high | 49 Ų | 49 | 70.6 Ų | 70.6 | 51% | 0.505 | 39% | 0.39 | S | S | . | . | S | Bend | trans | 86.5 | -166.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | K353 | G339-K353 CarbonylContact C-O 3.45Å; G339-K353 VanDerWaalsContact CA-O 3.23Å; G339-K353 WeakPolarHBondContact CA-O 3.45Å |
| 340 | K | 95.9 | Very high | 93.5 | Very high | 161 Ų | 161 | 69.7 Ų | 69.7 | 70% | 0.7 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 125.5 | -177.9 | -174.7 | 174.4 | -177 | 172.6 | 0 | 109 | K353 | K340-K353 PolarHBondContact N-O 2.68Å; K340-K353 PolarHBondContact O-N 2.82Å |
| 341 | A | 96.5 | Very high | 93.8 | Very high | 25 Ų | 25 | 66.9 Ų | 66.9 | 21% | 0.207 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 138 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110 | V334 C336 I350 V351 W352 I365 | V334-A341 HydrophobicContact CG1-CB 3.54Å; C336-A341 HydrophobicContact CB-CB 4.17Å; A341-I350 HydrophobicContact CB-CG2 4.45Å; A341-V351 WeakPolarHBondContact CA-O 3.42Å; A341-W352 HydrophobicContact CB-CB 4.23Å; A341-W352 HydrophobicContact CB-CG 4.35Å; A341-I365 HydrophobicContact CB-CD1 3.48Å; A341-I365 VanDerWaalsContact CB-CD1 3.48Å |
| 342 | K | 95.6 | Very high | 94 | Very high | 143 Ų | 143 | 66 Ų | 66 | 62% | 0.622 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 134.3 | 179 | -178.1 | 173.9 | 179.3 | -179.3 | 0 | 109.8 | V351 | K342-V351 PolarHBondContact N-O 2.84Å; K342-V351 PolarHBondContact O-N 2.95Å |
| 343 | Y | 96.3 | Very high | 94.1 | Very high | 59 Ų | 59 | 69 Ų | 69 | 23% | 0.231 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 132.3 | 167.6 | 176 | -125.8 | 0 | 0 | 0 | 110.6 | T325 T329 V332 A345 I350 | T325-Y343 HydrophobicContact CG2-CD2 4.4Å; T325-Y343 HydrophobicContact CG2-CE2 4.21Å; T325-Y343 WeakPolarHBondContact OG1-CE2 3.4Å; T329-Y343 HydrophobicContact CG2-CE1 4.29Å; T329-Y343 HydrophobicContact CG2-CE2 4.31Å; V332-Y343 HydrophobicContact CB-CD1 4.22Å; V332-Y343 HydrophobicContact CB-CD2 4.43Å; V332-Y343 HydrophobicContact CB-CG 3.96Å; V332-Y343 HydrophobicContact CG1-CG 4.43Å; V332-Y343 HydrophobicContact CG2-CD1 3.85Å; V332-Y343 HydrophobicContact CG2-CD2 3.76Å; V332-Y343 HydrophobicContact CG2-CE1 4.1Å; V332-Y343 HydrophobicContact CG2-CE2 4.04Å; V332-Y343 HydrophobicContact CG2-CG 3.67Å; Y343-A345 HydrophobicContact CE1-CB 3.94Å; Y343-I350 HydrophobicContact CD2-CG1 4.36Å |
| 344 | K | 95.4 | Very high | 94.2 | Very high | 63 Ų | 63 | 63.7 Ų | 63.7 | 27% | 0.274 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 101.4 | 174.8 | -69.1 | -170.5 | 179.5 | 179 | 0 | 109.7 | S346 E347 N348 A349 V351 | K344-S346 PolarHBondContact O-N 3.09Å; K344-E347 HydrophobicContact CB-CB 4.08Å; K344-E347 VanDerWaalsContact CD-CD 3.43Å; K344-E347 HydrophobicContact CD-CG 4.37Å; K344-E347 WeakPolarHBondContact CD-OE1 3.39Å; K344-E347 WeakPolarHBondContact CD-OE2 3.49Å; K344-E347 IonicContact NZ-OE1 3.47Å; K344-E347 PolarHBondContact NZ-OE1 3.34Å; K344-E347 IonicContact NZ-OE2 2.96Å; K344-E347 PolarHBondContact NZ-OE2 2.99Å; K344-E347 CarbonylContact O-C 3.52Å; K344-E347 PolarHBondContact O-N 2.85Å; K344-E347 VanDerWaalsContact O-N 3.14Å; K344-N348 PolarHBondContact O-N 3.24Å; K344-N348 VanDerWaalsContact O-N 3.08Å; K344-A349 PolarHBondContact N-O 3.31Å; K344-A349 PolarHBondContact O-N 3.38Å; K344-V351 HydrophobicContact CD-CG2 3.72Å; K344-V351 HydrophobicContact CG-CG2 4.13Å |
| 345 | A | 91.6 | Very high | 94.2 | Very high | 63 Ų | 63 | 69.8 Ų | 69.8 | 52% | 0.521 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -60.3 | -41.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y343 E347 N348 | Y343-A345 HydrophobicContact CE1-CB 3.94Å; A345-E347 PolarHBondContact O-N 3.09Å; A345-N348 PolarHBondContact O-N 3.25Å; A345-N348 VanDerWaalsContact O-N 3.1Å |
| 346 | S | 92.5 | Very high | 94.3 | Very high | 113 Ų | 113 | 71.7 Ų | 71.7 | 79% | 0.79 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -60.8 | -21.3 | 178.1 | 60 | 0 | 0 | 0 | 0 | 113.9 | K344 | K344-S346 PolarHBondContact O-N 3.09Š|
| 347 | E | 92.3 | Very high | 94.5 | Very high | 68 Ų | 68 | 70 Ų | 70 | 32% | 0.318 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -109.4 | -4.1 | -177.4 | -72.9 | 178.4 | -143.5 | 0 | 0 | 112.3 | R322 K344 A345 A349 | R322-E347 IonicContact CZ-OE2 3.68Å; R322-E347 IonicContact NH1-OE2 3.47Å; R322-E347 PolarHBondContact NH1-OE2 3.05Å; R322-E347 PolarHBondContact NH2-O 3.14Å; K344-E347 HydrophobicContact CB-CB 4.08Å; K344-E347 VanDerWaalsContact CD-CD 3.43Å; K344-E347 HydrophobicContact CD-CG 4.37Å; K344-E347 WeakPolarHBondContact CD-OE1 3.39Å; K344-E347 WeakPolarHBondContact CD-OE2 3.49Å; K344-E347 IonicContact NZ-OE1 3.47Å; K344-E347 PolarHBondContact NZ-OE1 3.34Å; K344-E347 IonicContact NZ-OE2 2.96Å; K344-E347 PolarHBondContact NZ-OE2 2.99Å; K344-E347 CarbonylContact O-C 3.52Å; K344-E347 PolarHBondContact O-N 2.85Å; K344-E347 VanDerWaalsContact O-N 3.14Å; A345-E347 PolarHBondContact O-N 3.09Å; E347-A349 VanDerWaalsContact C-N 3.25Å; E347-A349 HydrophobicContact CB-CB 4.49Å; E347-A349 PolarHBondContact O-N 2.66Å |
| 348 | N | 93.5 | Very high | 95.3 | Very high | 49 Ų | 49 | 63.6 Ų | 63.6 | 26% | 0.262 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 43.6 | 51.8 | -171.2 | -59 | -76.9 | 0 | 0 | 0 | 111.9 | T325 L327 K344 A345 | T325-N348 PolarHBondContact N-O 3.19Å; T325-N348 PolarHBondContact OG1-O 2.78Å; L327-N348 HydrophobicContact CD2-CB 4.25Å; L327-N348 WeakPolarHBondContact CD2-ND2 3.45Å; K344-N348 PolarHBondContact O-N 3.24Å; K344-N348 VanDerWaalsContact O-N 3.08Å; A345-N348 PolarHBondContact O-N 3.25Å; A345-N348 VanDerWaalsContact O-N 3.1Å |
| 349 | A | 96.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 148 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113 | R322 I323 K344 E347 | R322-A349 HydrophobicContact CG-CB 3.99Å; I323-A349 CarbonylContact O-C 3.57Å; I323-A349 VanDerWaalsContact O-CA 3.27Å; I323-A349 WeakPolarHBondContact O-CA 3.32Å; K344-A349 PolarHBondContact N-O 3.31Å; K344-A349 PolarHBondContact O-N 3.38Å; E347-A349 VanDerWaalsContact C-N 3.25Å; E347-A349 HydrophobicContact CB-CB 4.49Å; E347-A349 PolarHBondContact O-N 2.66Å |
| 350 | I | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 124.5 | 163.6 | -57.6 | 166.9 | 0 | 0 | 0 | 107.5 | I323 T325 V332 V334 A341 Y343 I365 A367 I369 | I323-I350 HydrophobicContact CB-CB 4.24Å; I323-I350 PolarHBondContact N-O 2.76Å; I323-I350 PolarHBondContact O-N 2.92Å; T325-I350 HydrophobicContact CG2-CD1 4.16Å; T325-I350 HydrophobicContact CG2-CG1 3.86Å; V332-I350 HydrophobicContact CG1-CD1 3.65Å; V332-I350 HydrophobicContact CG1-CG1 3.91Å; V334-I350 HydrophobicContact CG2-CD1 4.06Å; V334-I350 HydrophobicContact CG2-CG2 4.11Å; A341-I350 HydrophobicContact CB-CG2 4.45Å; Y343-I350 HydrophobicContact CD2-CG1 4.36Å; I350-I365 HydrophobicContact CG2-CD1 4.12Å; I350-A367 HydrophobicContact CD1-CB 3.46Å; I350-A367 VanDerWaalsContact CD1-CB 3.46Å; I350-I369 HydrophobicContact CD1-CD1 4.27Å; I350-I369 HydrophobicContact CD1-CG1 4.37Å |
| 351 | V | 97.5 | Very high | 95.8 | Very high | 5 Ų | 5 | 61.2 Ų | 61.2 | 3% | 0.03 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 112.5 | 177.5 | -179.1 | 0 | 0 | 0 | 0 | 108.8 | E320 A341 K342 K344 K353 | E320-V351 HydrophobicContact CG-CG1 3.8Å; E320-V351 WeakPolarHBondContact OE1-CG1 3.05Å; A341-V351 WeakPolarHBondContact CA-O 3.42Å; K342-V351 PolarHBondContact N-O 2.84Å; K342-V351 PolarHBondContact O-N 2.95Å; K344-V351 HydrophobicContact CD-CG2 3.72Å; K344-V351 HydrophobicContact CG-CG2 4.13Å; V351-K353 HydrophobicContact CG1-CD 4.45Å; V351-K353 HydrophobicContact CG1-CG 4.02Å |
| 352 | W | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 111.5 | -179.9 | 178.2 | 34.2 | 0 | 0 | 0 | 110.9 | I306 E320 V321 C336 K338 A341 I354 S363 I365 | I306-W352 HydrophobicContact CB-CZ3 4.47Å; I306-W352 HydrophobicContact CD1-CE3 4.4Å; I306-W352 HydrophobicContact CD1-CH2 3.66Å; I306-W352 HydrophobicContact CD1-CZ2 4.44Å; I306-W352 HydrophobicContact CD1-CZ3 3.64Å; I306-W352 HydrophobicContact CG1-CH2 3.69Å; I306-W352 HydrophobicContact CG1-CZ3 3.74Å; I306-W352 HydrophobicContact CG2-CZ3 3.97Å; E320-W352 CarbonylContact C-O 3.59Å; E320-W352 WeakPolarHBondContact CA-O 3.22Å; V321-W352 HydrophobicContact CB-CB 4.31Å; V321-W352 HydrophobicContact CB-CE3 4Å; V321-W352 HydrophobicContact CG1-CE3 4.5Å; V321-W352 HydrophobicContact CG2-CE3 3.85Å; V321-W352 HydrophobicContact CG2-CZ3 4.38Å; V321-W352 PolarHBondContact N-O 2.67Å; V321-W352 PolarHBondContact O-N 2.93Å; C336-W352 PolarHBondContact SG-NE1 2.99Å; K338-W352 PolarHBondContact O-NE1 3.47Å; A341-W352 HydrophobicContact CB-CB 4.23Å; A341-W352 HydrophobicContact CB-CG 4.35Å; W352-I354 HydrophobicContact CD2-CD1 4.32Å; W352-I354 HydrophobicContact CD2-CG1 4.45Å; W352-I354 HydrophobicContact CH2-CD1 3.95Å; W352-I354 HydrophobicContact CZ2-CD1 3.47Å; W352-I354 VanDerWaalsContact CZ2-CD1 3.47Å; W352-I354 HydrophobicContact CZ2-CG1 4.13Å; W352-S363 WeakPolarHBondContact CZ2-OG 3.32Å; W352-I365 HydrophobicContact CB-CD1 3.96Å; W352-I365 HydrophobicContact CD2-CB 4.13Å; W352-I365 HydrophobicContact CD2-CD1 4.3Å; W352-I365 HydrophobicContact CD2-CG2 4.03Å; W352-I365 HydrophobicContact CE3-CB 4.09Å; W352-I365 HydrophobicContact CE3-CG2 3.53Å; W352-I365 HydrophobicContact CG-CD1 3.97Å; W352-I365 HydrophobicContact CH2-CB 4.39Å; W352-I365 HydrophobicContact CH2-CG2 4.31Å; W352-I365 HydrophobicContact CZ2-CB 4.43Å; W352-I365 HydrophobicContact CZ3-CB 4.22Å; W352-I365 HydrophobicContact CZ3-CG2 3.69Å |
| 353 | K | 97.8 | Very high | 95.8 | Very high | 97 Ų | 97 | 58.6 Ų | 58.6 | 42% | 0.422 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 127 | -176.5 | -59 | -167.9 | -176.8 | -132.2 | 0 | 111.4 | I319 E320 G339 K340 V351 | I319-K353 CarbonylContact O-C 3.58Å; I319-K353 WeakPolarHBondContact O-CA 3.23Å; E320-K353 HydrophobicContact CB-CG 4.47Å; E320-K353 VanDerWaalsContact CD-CE 3.49Å; E320-K353 HydrophobicContact CG-CG 4.17Å; E320-K353 WeakPolarHBondContact OE1-CE 3.34Å; E320-K353 IonicContact OE1-NZ 2.71Å; E320-K353 PolarHBondContact OE1-NZ 3.29Å; E320-K353 VanDerWaalsContact OE2-CE 3.31Å; E320-K353 WeakPolarHBondContact OE2-CE 3.2Å; E320-K353 IonicContact OE2-NZ 2.7Å; E320-K353 PolarHBondContact OE2-NZ 3.15Å; G339-K353 CarbonylContact C-O 3.45Å; G339-K353 VanDerWaalsContact CA-O 3.23Å; G339-K353 WeakPolarHBondContact CA-O 3.45Å; K340-K353 PolarHBondContact N-O 2.68Å; K340-K353 PolarHBondContact O-N 2.82Å; V351-K353 HydrophobicContact CG1-CD 4.45Å; V351-K353 HydrophobicContact CG1-CG 4.02Å |
| 354 | I | 97.3 | Very high | 95.7 | Very high | 5 Ų | 5 | 59.2 Ų | 59.2 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 118.4 | 174.5 | -52.5 | 175 | 0 | 0 | 0 | 108.2 | I306 I319 K338 W352 R356 M357 | I306-I354 HydrophobicContact CD1-CD1 3.51Å; I319-I354 HydrophobicContact CB-CB 4.12Å; I319-I354 WeakPolarHBondContact CB-O 3.43Å; I319-I354 HydrophobicContact CG2-CB 4.44Å; I319-I354 PolarHBondContact N-O 2.78Å; I319-I354 PolarHBondContact O-N 3.22Å; K338-I354 HydrophobicContact CD-CG2 4.29Å; K338-I354 HydrophobicContact CG-CG2 4.27Å; W352-I354 HydrophobicContact CD2-CD1 4.32Å; W352-I354 HydrophobicContact CD2-CG1 4.45Å; W352-I354 HydrophobicContact CH2-CD1 3.95Å; W352-I354 HydrophobicContact CZ2-CD1 3.47Å; W352-I354 VanDerWaalsContact CZ2-CD1 3.47Å; W352-I354 HydrophobicContact CZ2-CG1 4.13Å; I354-R356 VanDerWaalsContact C-N 3.32Å; I354-R356 WeakPolarHBondContact CG2-O 3.23Å; I354-R356 PolarHBondContact O-N 3.43Å; I354-M357 HydrophobicContact CD1-CE 3.77Å |
| 355 | K | 95.4 | Very high | 95.8 | Very high | 178 Ų | 178 | 56.3 Ų | 56.3 | 77% | 0.774 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.2 | -44.7 | -177.3 | -176.4 | 174 | -178.5 | 176.4 | 0 | 112.2 | ||
| 356 | R | 95.9 | Very high | 96.1 | Very high | 157 Ų | 157 | 55.2 Ų | 55.2 | 59% | 0.592 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 146.8 | 179.2 | 56.5 | -177.6 | 164.2 | -167.7 | -2.9 | 113.3 | A316 K338 I354 | A316-R356 CarbonylContact O-C 3.58Å; A316-R356 WeakPolarHBondContact O-CA 3.42Å; K338-R356 WeakPolarHBondContact CE-O 3.28Å; K338-R356 PolarHBondContact NZ-O 2.92Å; I354-R356 VanDerWaalsContact C-N 3.32Å; I354-R356 WeakPolarHBondContact CG2-O 3.23Å; I354-R356 PolarHBondContact O-N 3.43Å |
| 357 | M | 96.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 128.1 | 174.6 | -176.8 | 174.1 | -81.7 | 0 | 0 | 110.4 | F286 I306 A316 I319 K338 I354 K361 | F286-M357 HydrophobicContact CE1-SD 3.91Å; I306-M357 HydrophobicContact CD1-CE 3.76Å; I306-M357 HydrophobicContact CD1-SD 4.28Å; I306-M357 HydrophobicContact CG1-CE 4.11Å; A316-M357 PolarHBondContact N-O 3.34Å; A316-M357 PolarHBondContact O-N 3.42Å; I319-M357 HydrophobicContact CD1-CB 3.38Å; K338-M357 HydrophobicContact CD-CE 4.42Å; I354-M357 HydrophobicContact CD1-CE 3.77Å; M357-K361 HydrophobicContact CG-CB 4.27Å |
| 358 | A | 97.3 | Very high | 96.5 | Very high | 22 Ų | 22 | 50.3 Ų | 50.3 | 18% | 0.182 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 160.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | S308 L314 L315 K361 | S308-A358 PolarHBondContact OG-O 2.9Å; L314-A358 WeakPolarHBondContact O-CA 3.45Å; L315-A358 HydrophobicContact CD2-CB 3.69Å; A358-K361 HydrophobicContact CB-CG 4.07Å |
| 359 | G | 96.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | 155.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | F310 L314 K361 | F310-G359 VanDerWaalsContact CD2-CA 3.47Å; F310-G359 CarbonylContact O-C 3.51Å; F310-G359 VanDerWaalsContact O-CA 3.23Å; F310-G359 WeakPolarHBondContact O-CA 3.28Å; L314-G359 PolarHBondContact O-N 3.43Å; G359-K361 VanDerWaalsContact C-N 3.26Å; G359-K361 PolarHBondContact O-N 3.07Å |
| 360 | M | 96.8 | Very high | 96.5 | Very high | 118 Ų | 118 | 52.5 Ų | 52.5 | 58% | 0.581 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 38.6 | -178.9 | -52.6 | -58.8 | -74.9 | 0 | 0 | 113.4 | S308 F310 P312 | S308-M360 VanDerWaalsContact O-CA 3.24Å; S308-M360 WeakPolarHBondContact O-CA 3.47Å; S308-M360 PolarHBondContact O-N 2.93Å; S308-M360 VanDerWaalsContact O-N 3.08Å; S308-M360 PolarHBondContact OG-N 2.91Å; S308-M360 VanDerWaalsContact OG-N 3.17Å; F310-M360 WeakPolarHBondContact O-CG 3.32Å; F310-M360 PolarHBondContact O-N 3.1Å; P312-M360 HydrophobicContact CG-CB 4.13Å; P312-M360 HydrophobicContact CG-CG 3.84Å |
| 361 | K | 96.1 | Very high | 96.2 | Very high | 120 Ų | 120 | 53.8 Ų | 53.8 | 52% | 0.522 | 25% | 0.251 | S | S | . | . | trans | -120.3 | 156.2 | 175.5 | -65.1 | -59.6 | 179.6 | -172.9 | 0 | 110.4 | K307 S308 M357 A358 G359 | K307-K361 WeakPolarHBondContact CA-O 3.41Å; S308-K361 PolarHBondContact N-O 3.46Å; S308-K361 PolarHBondContact OG-N 3.08Å; S308-K361 PolarHBondContact OG-O 3.14Å; S308-K361 VanDerWaalsContact OG-O 3.11Å; M357-K361 HydrophobicContact CG-CB 4.27Å; A358-K361 HydrophobicContact CB-CG 4.07Å; G359-K361 VanDerWaalsContact C-N 3.26Å; G359-K361 PolarHBondContact O-N 3.07Å | ||
| 362 | E | 95.5 | Very high | 95.7 | Very high | 103 Ų | 103 | 58.4 Ų | 58.4 | 48% | 0.481 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 146 | 177.3 | -174.8 | 164.4 | 163.3 | 0 | 0 | 109.7 | V305 I306 K307 | V305-E362 HydrophobicContact CG1-CG 3.69Å; V305-E362 WeakPolarHBondContact CG1-OE1 3.3Å; I306-E362 WeakPolarHBondContact O-CA 3.35Å; K307-E362 WeakPolarHBondContact CE-OE2 2.87Å; K307-E362 HydrophobicContact CG-CB 4.47Å; K307-E362 HydrophobicContact CG-CG 4.04Å; K307-E362 IonicContact NZ-OE1 3.15Å; K307-E362 PolarHBondContact NZ-OE1 3.42Å; K307-E362 IonicContact NZ-OE2 3.91Å; K307-E362 PolarHBondContact NZ-OE2 3.3Å |
| 363 | S | 96.1 | Very high | 94.9 | Very high | 9 Ų | 9 | 63.2 Ų | 63.2 | 6% | 0.063 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 150.2 | 168.6 | -164.3 | 0 | 0 | 0 | 0 | 109.6 | I306 K338 W352 | I306-S363 WeakPolarHBondContact CG1-O 3.22Å; I306-S363 PolarHBondContact N-O 3.2Å; I306-S363 PolarHBondContact O-N 3.36Å; K338-S363 WeakPolarHBondContact CB-OG 3.46Å; W352-S363 WeakPolarHBondContact CZ2-OG 3.32Å |
| 364 | Q | 95.7 | Very high | 93.8 | Very high | 73 Ų | 73 | 62 Ų | 62 | 34% | 0.341 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 151.8 | -178.4 | 67.1 | 179.4 | 0.4 | 0 | 0 | 111.2 | V304 V305 | V304-Q364 VanDerWaalsContact O-CA 3.3Å; V304-Q364 WeakPolarHBondContact O-CA 3.27Å; V305-Q364 HydrophobicContact CG2-CB 4.07Å |
| 365 | I | 96.8 | Very high | 92.4 | Very high | 2 Ų | 2 | 70 Ų | 70 | 1% | 0.01 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 137.4 | 169.4 | -178.3 | 174.9 | 0 | 0 | 0 | 107.9 | K303 V304 I323 V334 I335 C336 A341 I350 W352 | K303-I365 WeakPolarHBondContact CA-O 3.37Å; V304-I365 HydrophobicContact CB-CG2 3.76Å; V304-I365 HydrophobicContact CG2-CG2 4.47Å; V304-I365 PolarHBondContact N-O 2.81Å; V304-I365 PolarHBondContact O-N 2.51Å; I323-I365 HydrophobicContact CD1-CD1 4.32Å; I323-I365 HydrophobicContact CD1-CG2 3.8Å; V334-I365 HydrophobicContact CG1-CD1 3.63Å; V334-I365 HydrophobicContact CG1-CG1 3.78Å; I335-I365 WeakPolarHBondContact O-CA 3.42Å; C336-I365 HydrophobicContact CB-CG1 4.31Å; A341-I365 HydrophobicContact CB-CD1 3.48Å; A341-I365 VanDerWaalsContact CB-CD1 3.48Å; I350-I365 HydrophobicContact CG2-CD1 4.12Å; W352-I365 HydrophobicContact CB-CD1 3.96Å; W352-I365 HydrophobicContact CD2-CB 4.13Å; W352-I365 HydrophobicContact CD2-CD1 4.3Å; W352-I365 HydrophobicContact CD2-CG2 4.03Å; W352-I365 HydrophobicContact CE3-CB 4.09Å; W352-I365 HydrophobicContact CE3-CG2 3.53Å; W352-I365 HydrophobicContact CG-CD1 3.97Å; W352-I365 HydrophobicContact CH2-CB 4.39Å; W352-I365 HydrophobicContact CH2-CG2 4.31Å; W352-I365 HydrophobicContact CZ2-CB 4.43Å; W352-I365 HydrophobicContact CZ3-CB 4.22Å; W352-I365 HydrophobicContact CZ3-CG2 3.69Å |
| 366 | S | 97.1 | Very high | 91 | Very high | 40 Ų | 40 | 67.4 Ų | 67.4 | 28% | 0.28 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 137.9 | 170.2 | -60.9 | 0 | 0 | 0 | 0 | 108.3 | V302 I335 | V302-S366 CarbonylContact O-C 3.43Å; V302-S366 WeakPolarHBondContact O-CA 3.3Å; I335-S366 PolarHBondContact N-O 3.38Å; I335-S366 PolarHBondContact O-N 2.65Å |
| 367 | A | 96.7 | Very high | 89.6 | Confident | 5 Ų | 5 | 70 Ų | 70 | 4% | 0.041 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 137.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | E301 V302 Q333 V334 I350 | E301-A367 WeakPolarHBondContact CA-O 3.4Å; V302-A367 PolarHBondContact N-O 2.76Å; V302-A367 PolarHBondContact O-N 3.38Å; Q333-A367 CarbonylContact O-C 3.53Å; Q333-A367 WeakPolarHBondContact O-CA 3.36Å; V334-A367 HydrophobicContact CG2-CB 3.98Å; I350-A367 HydrophobicContact CD1-CB 3.46Å; I350-A367 VanDerWaalsContact CD1-CB 3.46Å |
| 368 | E | 96.5 | Very high | 88.3 | Confident | 73 Ų | 73 | 79 Ų | 79 | 34% | 0.341 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 122.3 | 167.9 | -54.9 | -164.2 | 157.9 | 0 | 0 | 108 | K299 V332 Q333 | K299-E368 VanDerWaalsContact CE-CD 3.47Å; K299-E368 WeakPolarHBondContact CE-OE2 3.12Å; K299-E368 IonicContact NZ-OE1 3.03Å; K299-E368 PolarHBondContact NZ-OE1 3.24Å; K299-E368 VanDerWaalsContact NZ-OE1 3.15Å; K299-E368 IonicContact NZ-OE2 2.59Å; K299-E368 PolarHBondContact NZ-OE2 2.69Å; V332-E368 CarbonylContact C-O 3.58Å; V332-E368 WeakPolarHBondContact CA-O 3.11Å; Q333-E368 HydrophobicContact CB-CB 4.37Å; Q333-E368 PolarHBondContact N-O 2.88Å; Q333-E368 PolarHBondContact O-N 2.8Å |
| 369 | I | 95.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 87 Ų | 87 | 0% | 0 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 116.5 | -176.2 | -59.5 | 164.1 | 0 | 0 | 0 | 107.1 | K299 L300 V302 T325 T329 G331 V332 I350 L371 | K299-I369 CarbonylContact C-O 3.54Å; K299-I369 WeakPolarHBondContact CA-O 3.33Å; L300-I369 HydrophobicContact CB-CB 4.2Å; L300-I369 HydrophobicContact CD2-CD1 4.12Å; L300-I369 PolarHBondContact N-O 2.84Å; L300-I369 PolarHBondContact O-N 3.09Å; V302-I369 HydrophobicContact CG2-CD1 3.83Å; T325-I369 HydrophobicContact CG2-CD1 3.72Å; T325-I369 HydrophobicContact CG2-CG1 4.4Å; T329-I369 HydrophobicContact CG2-CG2 3.72Å; T329-I369 WeakPolarHBondContact OG1-CG2 3.42Å; G331-I369 WeakPolarHBondContact O-CA 3.45Å; V332-I369 HydrophobicContact CG1-CG1 4.35Å; V332-I369 HydrophobicContact CG2-CG1 4.31Å; V332-I369 HydrophobicContact CG2-CG2 4.37Å; I350-I369 HydrophobicContact CD1-CD1 4.27Å; I350-I369 HydrophobicContact CD1-CG1 4.37Å; I369-L371 HydrophobicContact CG2-CD2 3.81Å |
| 370 | E | 94.1 | Very high | 86.4 | Confident | 95 Ų | 95 | 90.5 Ų | 90.5 | 44% | 0.444 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 136.8 | 173 | -65.1 | 174.2 | -172.3 | 0 | 0 | 109.4 | T329 S330 G331 | T329-E370 WeakPolarHBondContact CA-O 3.48Å; S330-E370 PolarHBondContact N-O 2.8Å; S330-E370 VanDerWaalsContact OG-CB 3.28Å; S330-E370 WeakPolarHBondContact OG-CB 3.28Å; S330-E370 PolarHBondContact OG-O 3.04Å; G331-E370 PolarHBondContact O-N 2.81Å |
| 371 | L | 91.3 | Very high | 85.5 | Confident | 26 Ų | 26 | 89 Ų | 89 | 14% | 0.136 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 136 | -176.2 | -55.7 | -179.2 | 0 | 0 | 0 | 109.8 | T298 L300 P326 I369 | T298-L371 PolarHBondContact O-N 2.77Å; L300-L371 HydrophobicContact CB-CD1 4.13Å; L300-L371 HydrophobicContact CB-CG 4.49Å; P326-L371 HydrophobicContact CB-CD2 3.8Å; P326-L371 HydrophobicContact CG-CD2 3.67Å; I369-L371 HydrophobicContact CG2-CD2 3.81Å |
| 372 | L | 88 | Confident | 85.1 | Confident | 103 Ų | 103 | 87 Ų | 87 | 54% | 0.539 | 44% | 0.439 | S | S | . | . | trans | -71.8 | 133.2 | 166.5 | -68.4 | 167.8 | 0 | 0 | 0 | 109.4 | N328 T374 | N328-L372 HydrophobicContact CB-CB 4.43Å; N328-L372 PolarHBondContact ND2-O 2.83Å; N328-L372 PolarHBondContact O-N 3.33Å; L372-T374 PolarHBondContact O-N 2.85Å | ||
| 373 | P | 80.4 | Confident | 84.9 | Confident | 101 Ų | 101 | 84.8 Ų | 84.8 | 66% | 0.656 | 43% | 0.433 | S | S | * | . | trans | -54.4 | 126.5 | 173.3 | -22.4 | 31.1 | 0 | 0 | 0 | 110.4 | T298 | T298-P373 HydrophobicContact CG2-CG 4.13Š| ||
| 374 | T | 74.9 | Confident | 84.8 | Confident | 71 Ų | 71 | 86.1 Ų | 86.1 | 44% | 0.436 | 44% | 0.441 | S | S | . | . | trans | -114 | 143.6 | 173.4 | 40.5 | 0 | 0 | 0 | 0 | 109.3 | N328 L372 D376 | N328-T374 HydrophobicContact CB-CG2 4.01Å; L372-T374 PolarHBondContact O-N 2.85Å; T374-D376 PolarHBondContact O-N 2.78Å | ||
| 375 | N | 67.2 | Low | 84.9 | Confident | 173 Ų | 173 | 82.8 Ų | 82.8 | 93% | 0.925 | 43% | 0.426 | S | S | * | . | trans | -77.6 | -0.2 | 175.6 | -73.3 | -19.9 | 0 | 0 | 0 | 112.5 | K377 | N375-K377 PolarHBondContact O-N 3.47Š| ||
| 376 | D | 66.8 | Low | 84.9 | Confident | 124 Ų | 124 | 83.9 Ų | 83.9 | 66% | 0.663 | 43% | 0.434 | S | S | * | . | trans | -73.9 | 122 | -177.8 | -74.4 | -39.5 | 0 | 0 | 0 | 111.6 | T374 K378 | T374-D376 PolarHBondContact O-N 2.78Å; D376-K378 PolarHBondContact O-N 2.77Å | ||
| 377 | K | 65 | Low | 84.9 | Confident | 212 Ų | 212 | 82 Ų | 82 | 92% | 0.922 | 42% | 0.421 | S | S | * | . | trans | -73.9 | -7.1 | 171.6 | -66.1 | -177.3 | 179.7 | 178.7 | 0 | 113 | N375 K379 | N375-K377 PolarHBondContact O-N 3.47Å; K377-K379 PolarHBondContact O-N 2.78Å | ||
| 378 | K | 70.4 | Confident | 84.9 | Confident | 189 Ų | 189 | 85.4 Ų | 85.4 | 82% | 0.822 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -80.9 | 119 | -178 | -72.5 | -173.8 | 180 | 178 | 0 | 109.7 | D376 W380 | D376-K378 PolarHBondContact O-N 2.77Å; K378-W380 PolarHBondContact O-N 3Å |
| 379 | K | 72.5 | Confident | 85 | Confident | 191 Ų | 191 | 82.3 Ų | 82.3 | 83% | 0.83 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 137.3 | 170.9 | -68.9 | -173.7 | 176.7 | -176.7 | 0 | 109.5 | K377 A381 | K377-K379 PolarHBondContact O-N 2.78Å; K379-A381 PolarHBondContact O-N 3.16Å |
| 380 | W | 81 | Confident | 85.1 | Confident | 72 Ų | 72 | 85.1 Ų | 85.1 | 27% | 0.273 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 123.4 | 177.1 | 174.3 | 51.6 | 0 | 0 | 0 | 110.1 | L300 P324 T325 P326 K378 R382 P383 | L300-W380 HydrophobicContact CD2-CE3 4.33Å; L300-W380 HydrophobicContact CD2-CZ3 3.74Å; P324-W380 HydrophobicContact CB-CZ2 4.38Å; T325-W380 VanDerWaalsContact C-CZ2 3.41Å; P326-W380 HydrophobicContact CB-CD2 4.21Å; P326-W380 HydrophobicContact CB-CG 4.44Å; P326-W380 HydrophobicContact CG-CD2 3.74Å; P326-W380 HydrophobicContact CG-CE3 3.68Å; P326-W380 HydrophobicContact CG-CG 4.37Å; P326-W380 HydrophobicContact CG-CH2 4.06Å; P326-W380 HydrophobicContact CG-CZ2 4.09Å; P326-W380 HydrophobicContact CG-CZ3 3.85Å; K378-W380 PolarHBondContact O-N 3Å; W380-R382 HydrophobicContact CD2-CG 4.18Å; W380-R382 HydrophobicContact CE3-CB 4.45Å; W380-R382 HydrophobicContact CE3-CG 3.57Å; W380-R382 HydrophobicContact CH2-CG 4.49Å; W380-R382 HydrophobicContact CZ3-CB 4.39Å; W380-R382 HydrophobicContact CZ3-CG 3.75Å; W380-R382 PolarHBondContact O-N 2.93Å; W380-P383 HydrophobicContact CZ2-CG 4.39Å |
| 381 | A | 78.2 | Confident | 85.3 | Confident | 86 Ų | 86 | 80.7 Ų | 80.7 | 71% | 0.711 | 42% | 0.416 | S | S | * | . | trans | -73.5 | 96.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108 | K379 P383 | K379-A381 PolarHBondContact O-N 3.16Å; A381-P383 WeakPolarHBondContact O-CD 3.27Å; A381-P383 VanDerWaalsContact O-N 3.12Å | ||
| 382 | R | 86.6 | Confident | 85.5 | Confident | 80 Ų | 80 | 82.7 Ų | 82.7 | 30% | 0.302 | 43% | 0.43 | S | S | . | . | trans | -63.2 | 105.7 | -176.1 | -63.4 | 178.8 | -175.6 | 176 | 2.2 | 110.3 | E294 W380 C434 | E294-R382 IonicContact OE1-CZ 3.96Å; E294-R382 IonicContact OE1-NE 3.98Å; E294-R382 IonicContact OE1-NH2 3.9Å; E294-R382 PolarHBondContact OE1-NH2 2.89Å; W380-R382 HydrophobicContact CD2-CG 4.18Å; W380-R382 HydrophobicContact CE3-CB 4.45Å; W380-R382 HydrophobicContact CE3-CG 3.57Å; W380-R382 HydrophobicContact CH2-CG 4.49Å; W380-R382 HydrophobicContact CZ3-CB 4.39Å; W380-R382 HydrophobicContact CZ3-CG 3.75Å; W380-R382 PolarHBondContact O-N 2.93Å; R382-C434 WeakPolarHBondContact CB-O 3.43Å; R382-C434 VanDerWaalsContact CD-C 3.5Å; R382-C434 VanDerWaalsContact CD-O 3.28Å; R382-C434 WeakPolarHBondContact CD-O 3.22Å; R382-C434 VanDerWaalsContact CD-OXT 3.28Å; R382-C434 WeakPolarHBondContact CD-OXT 3.5Å; R382-C434 PolarHBondContact NH1-OXT 2.8Å | ||
| 383 | P | 91.3 | Very high | 85.9 | Confident | 55 Ų | 55 | 79.1 Ų | 79.1 | 36% | 0.357 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 147.2 | 176.4 | -11.5 | 28.7 | 0 | 0 | 0 | 108.7 | P324 W380 A381 C434 | P324-P383 HydrophobicContact CB-CB 3.99Å; P324-P383 HydrophobicContact CB-CG 3.89Å; P324-P383 HydrophobicContact CG-CB 3.88Å; P324-P383 HydrophobicContact CG-CG 4.36Å; P324-P383 WeakPolarHBondContact CG-O 3.46Å; W380-P383 HydrophobicContact CZ2-CG 4.39Å; A381-P383 WeakPolarHBondContact O-CD 3.27Å; A381-P383 VanDerWaalsContact O-N 3.12Å; P383-C434 PolarHBondContact O-SG 2.83Å |
| 384 | P | 95 | Very high | 86.6 | Confident | 37 Ų | 37 | 74.7 Ų | 74.7 | 24% | 0.24 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 148.3 | -177.4 | 26.9 | -34.1 | 0 | 0 | 0 | 111.8 | P324 E431 T432 | P324-P384 WeakPolarHBondContact CG-O 3.3Å; P384-E431 HydrophobicContact CB-CB 4.01Å; P384-E431 HydrophobicContact CB-CG 4.44Å; P384-E431 HydrophobicContact CG-CB 4.28Å; P384-E431 HydrophobicContact CG-CG 4.31Å; P384-E431 WeakPolarHBondContact CG-OE2 3.31Å; P384-T432 CarbonylContact C-O 3.48Å; P384-T432 WeakPolarHBondContact CA-O 3.47Å; P384-T432 WeakPolarHBondContact CB-O 3.16Å |
| 385 | I | 96.6 | Very high | 87.6 | Confident | 3 Ų | 3 | 71.3 Ų | 71.3 | 2% | 0.015 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 126.8 | 168.8 | -58.4 | -170.7 | 0 | 0 | 0 | 107.9 | V288 P290 V304 V321 R322 I323 E431 T432 | V288-I385 HydrophobicContact CG1-CG2 4.17Å; P290-I385 HydrophobicContact CB-CD1 3.69Å; V304-I385 HydrophobicContact CG1-CD1 4.33Å; V304-I385 HydrophobicContact CG2-CD1 3.56Å; V321-I385 HydrophobicContact CG1-CG2 3.67Å; R322-I385 WeakPolarHBondContact O-CA 3.48Å; R322-I385 WeakPolarHBondContact O-CG2 3.5Å; I323-I385 HydrophobicContact CG1-CD1 4.36Å; I323-I385 HydrophobicContact CG1-CG2 4.21Å; I323-I385 HydrophobicContact CG2-CD1 4.12Å; I323-I385 HydrophobicContact CG2-CG1 4.48Å; I385-E431 CarbonylContact O-C 3.58Å; I385-E431 WeakPolarHBondContact O-CA 3.48Å; I385-T432 PolarHBondContact N-O 2.87Å; I385-T432 PolarHBondContact O-N 3.08Å |
| 386 | S | 97.2 | Very high | 88.9 | Confident | 25 Ų | 25 | 63.3 Ų | 63.3 | 18% | 0.175 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 149.1 | 176.8 | 65.8 | 0 | 0 | 0 | 0 | 111.8 | V321 R322 Y430 | V321-S386 WeakPolarHBondContact CA-O 3.33Å; R322-S386 WeakPolarHBondContact CB-OG 3.28Å; R322-S386 PolarHBondContact N-O 3.23Å; R322-S386 PolarHBondContact O-N 2.78Å; R322-S386 VanDerWaalsContact O-N 3.09Å; S386-Y430 VanDerWaalsContact CA-O 3.32Å; S386-Y430 WeakPolarHBondContact CA-O 3.22Å |
| 387 | M | 96.9 | Very high | 90.1 | Very high | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 126.3 | -179.4 | -173.2 | 178.3 | -176.1 | 0 | 0 | 110.8 | F286 V288 I306 I319 E320 V321 F389 S427 Y430 | F286-M387 HydrophobicContact CB-CE 4.01Å; F286-M387 HydrophobicContact CB-SD 3.75Å; F286-M387 HydrophobicContact CD1-CE 3.49Å; F286-M387 VanDerWaalsContact CD1-CE 3.49Å; F286-M387 HydrophobicContact CD1-SD 4.37Å; F286-M387 HydrophobicContact CD2-CE 3.63Å; F286-M387 HydrophobicContact CD2-SD 4.13Å; F286-M387 HydrophobicContact CE1-CE 3.75Å; F286-M387 HydrophobicContact CE2-CE 3.9Å; F286-M387 HydrophobicContact CG-CE 3.41Å; F286-M387 VanDerWaalsContact CG-CE 3.41Å; F286-M387 HydrophobicContact CG-SD 3.83Å; F286-M387 HydrophobicContact CZ-CE 3.94Å; V288-M387 HydrophobicContact CG2-CB 4.43Å; V288-M387 HydrophobicContact CG2-SD 3.79Å; I306-M387 HydrophobicContact CD1-CE 4.33Å; I319-M387 HydrophobicContact CG2-CE 3.4Å; I319-M387 VanDerWaalsContact CG2-CE 3.4Å; E320-M387 CarbonylContact O-C 3.55Å; E320-M387 WeakPolarHBondContact O-CA 3.5Å; V321-M387 HydrophobicContact CG2-CE 4.38Å; V321-M387 HydrophobicContact CG2-CG 4.04Å; V321-M387 HydrophobicContact CG2-SD 4.42Å; M387-F389 HydrophobicContact CE-CD1 4.44Å; M387-F389 HydrophobicContact CG-CD1 4.08Å; M387-F389 HydrophobicContact SD-CD1 4.31Å; M387-S427 VanDerWaalsContact O-CB 3.28Å; M387-S427 WeakPolarHBondContact O-CB 3.23Å; M387-Y430 HydrophobicContact CB-CD1 3.93Å; M387-Y430 PolarHBondContact N-O 3.17Å; M387-Y430 WeakPolarHBondContact O-CB 3.12Å |
| 388 | N | 97.9 | Very high | 91.4 | Very high | 76 Ų | 76 | 48 Ų | 48 | 41% | 0.406 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 140.4 | 169.7 | -69.1 | -53 | 0 | 0 | 0 | 111 | I319 E320 S427 | I319-N388 CarbonylContact C-O 3.51Å; I319-N388 VanDerWaalsContact CA-O 3.26Å; I319-N388 WeakPolarHBondContact CA-O 3.39Å; E320-N388 HydrophobicContact CB-CB 4.32Å; E320-N388 PolarHBondContact N-O 2.9Å; E320-N388 PolarHBondContact O-N 2.92Å; N388-S427 VanDerWaalsContact CA-OG 3.23Å; N388-S427 WeakPolarHBondContact CA-OG 3.4Å; N388-S427 PolarHBondContact OD1-OG 3.4Å; N388-S427 VanDerWaalsContact OD1-OG 3.09Å |
| 389 | F | 97.6 | Very high | 92.5 | Very high | 7 Ų | 7 | 43.7 Ų | 43.7 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 164.9 | 178 | 59.4 | -98.8 | 0 | 0 | 0 | 112 | P285 F286 I319 M387 V391 R426 S427 Y430 | P285-F389 HydrophobicContact CB-CE2 4.11Å; P285-F389 HydrophobicContact CB-CZ 4.3Å; P285-F389 HydrophobicContact CG-CE2 3.81Å; P285-F389 HydrophobicContact CG-CZ 3.96Å; F286-F389 HydrophobicContact CD2-CB 4.34Å; F286-F389 AromaticContact CD2-CD1 3.58Å; F286-F389 HydrophobicContact CD2-CD1 3.58Å; F286-F389 HydrophobicContact CD2-CD2 4.19Å; F286-F389 AromaticContact CD2-CE1 3.83Å; F286-F389 HydrophobicContact CD2-CE1 3.83Å; F286-F389 HydrophobicContact CD2-CE2 4.41Å; F286-F389 AromaticContact CD2-CG 3.77Å; F286-F389 HydrophobicContact CD2-CG 3.77Å; F286-F389 HydrophobicContact CD2-CZ 4.25Å; F286-F389 HydrophobicContact CE2-CB 3.71Å; F286-F389 AromaticContact CE2-CD1 3.84Å; F286-F389 HydrophobicContact CE2-CD1 3.84Å; F286-F389 AromaticContact CE2-CD2 3.89Å; F286-F389 HydrophobicContact CE2-CD2 3.89Å; F286-F389 HydrophobicContact CE2-CE1 4.43Å; F286-F389 HydrophobicContact CE2-CE2 4.49Å; F286-F389 AromaticContact CE2-CG 3.53Å; F286-F389 HydrophobicContact CE2-CG 3.53Å; F286-F389 HydrophobicContact CZ-CB 4.48Å; I319-F389 HydrophobicContact CG1-CB 4.28Å; M387-F389 HydrophobicContact CE-CD1 4.44Å; M387-F389 HydrophobicContact CG-CD1 4.08Å; M387-F389 HydrophobicContact SD-CD1 4.31Å; F389-V391 HydrophobicContact CD2-CG1 3.98Å; F389-V391 HydrophobicContact CE2-CG1 4.41Å; F389-V391 HydrophobicContact CE2-CG2 4.37Å; F389-R426 WeakPolarHBondContact O-CA 3.47Å; F389-S427 PolarHBondContact N-OG 2.82Å; F389-S427 PolarHBondContact O-N 2.83Å; F389-Y430 HydrophobicContact CE1-CD1 4.15Å; F389-Y430 AromaticContact CE1-CD2 3.72Å; F389-Y430 HydrophobicContact CE1-CD2 3.72Å; F389-Y430 HydrophobicContact CE1-CE1 4.25Å; F389-Y430 AromaticContact CE1-CE2 3.86Å; F389-Y430 HydrophobicContact CE1-CE2 3.86Å; F389-Y430 AromaticContact CE1-CG 3.86Å; F389-Y430 HydrophobicContact CE1-CG 3.86Å; F389-Y430 AromaticContact CZ-CD2 3.93Å; F389-Y430 HydrophobicContact CZ-CD2 3.93Å; F389-Y430 AromaticContact CZ-CE2 3.93Å; F389-Y430 HydrophobicContact CZ-CE2 3.93Å |
| 390 | E | 98 | Very high | 93.4 | Very high | 60 Ų | 60 | 36 Ų | 36 | 28% | 0.28 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 132.6 | 168.4 | -166.4 | -179.8 | 125.5 | 0 | 0 | 109.3 | A316 Q317 K318 I424 G425 | A316-E390 CarbonylContact C-O 3.53Å; A316-E390 VanDerWaalsContact CA-O 3.29Å; A316-E390 WeakPolarHBondContact CA-O 3.42Å; Q317-E390 PolarHBondContact N-O 2.83Å; Q317-E390 PolarHBondContact O-N 2.81Å; K318-E390 IonicContact NZ-OE2 3.32Å; K318-E390 PolarHBondContact NZ-OE2 3.36Å; E390-I424 HydrophobicContact CG-CG2 3.85Å; E390-G425 CarbonylContact C-O 3.57Å; E390-G425 WeakPolarHBondContact CA-O 3.26Å |
| 391 | V | 97.5 | Very high | 93.8 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.012 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 139.3 | 179.2 | -66.4 | 0 | 0 | 0 | 0 | 111.2 | P285 F286 F310 A316 F389 F393 G425 | P285-V391 HydrophobicContact CB-CG1 4.08Å; P285-V391 HydrophobicContact CB-CG2 4.49Å; P285-V391 HydrophobicContact CG-CG2 4.23Å; F286-V391 HydrophobicContact CE2-CG1 4.25Å; F310-V391 HydrophobicContact CE1-CG1 4.35Å; A316-V391 HydrophobicContact CB-CG1 3.78Å; F389-V391 HydrophobicContact CD2-CG1 3.98Å; F389-V391 HydrophobicContact CE2-CG1 4.41Å; F389-V391 HydrophobicContact CE2-CG2 4.37Å; V391-F393 HydrophobicContact CB-CD1 3.69Å; V391-F393 HydrophobicContact CB-CE1 3.5Å; V391-F393 VanDerWaalsContact CB-CE1 3.5Å; V391-F393 HydrophobicContact CB-CZ 4.44Å; V391-F393 HydrophobicContact CG1-CE1 4.01Å; V391-F393 HydrophobicContact CG2-CD1 3.73Å; V391-F393 HydrophobicContact CG2-CE1 3.48Å; V391-F393 VanDerWaalsContact CG2-CE1 3.48Å; V391-F393 HydrophobicContact CG2-CG 4.44Å; V391-F393 HydrophobicContact CG2-CZ 3.99Å; V391-F393 PolarHBondContact O-N 2.83Å; V391-G425 WeakPolarHBondContact CG2-O 3.23Å; V391-G425 PolarHBondContact N-O 2.7Å; V391-G425 PolarHBondContact O-N 3.14Å |
| 392 | P | 96.4 | Very high | 94.5 | Very high | 67 Ų | 67 | 38.4 Ų | 38.4 | 44% | 0.435 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -85.9 | 48.1 | -175.1 | 36.4 | -38.1 | 0 | 0 | 0 | 112.4 | L314 L315 Y423 | L314-P392 HydrophobicContact CB-CG 4.2Å; L314-P392 HydrophobicContact CD2-CG 4.2Å; L315-P392 WeakPolarHBondContact O-CD 3.42Å; P392-Y423 CarbonylContact C-O 3.53Å; P392-Y423 VanDerWaalsContact C-O 3.32Å |
| 393 | F | 96 | Very high | 94.8 | Very high | 29 Ų | 29 | 35.4 Ų | 35.4 | 13% | 0.127 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -152.9 | 169.1 | 174.3 | 71.1 | -86.4 | 0 | 0 | 0 | 110.3 | I283 P285 F310 L314 V391 P395 Y423 G425 | I283-F393 HydrophobicContact CB-CE2 4.3Å; I283-F393 HydrophobicContact CG2-CE2 4.04Å; I283-F393 HydrophobicContact CG2-CZ 4.35Å; P285-F393 HydrophobicContact CB-CE1 4.42Å; P285-F393 HydrophobicContact CB-CZ 4Å; P285-F393 HydrophobicContact CG-CZ 3.87Å; F310-F393 HydrophobicContact CB-CE1 3.73Å; F310-F393 HydrophobicContact CB-CZ 3.87Å; F310-F393 HydrophobicContact CD1-CE1 4.25Å; F310-F393 HydrophobicContact CD2-CE1 4.44Å; F310-F393 AromaticContact CG-CE1 3.91Å; F310-F393 HydrophobicContact CG-CE1 3.91Å; F310-F393 HydrophobicContact CG-CZ 4.41Å; L314-F393 HydrophobicContact CD1-CB 4.24Å; L314-F393 HydrophobicContact CD1-CD1 3.96Å; L314-F393 HydrophobicContact CD1-CG 4.39Å; V391-F393 HydrophobicContact CB-CD1 3.69Å; V391-F393 HydrophobicContact CB-CE1 3.5Å; V391-F393 VanDerWaalsContact CB-CE1 3.5Å; V391-F393 HydrophobicContact CB-CZ 4.44Å; V391-F393 HydrophobicContact CG1-CE1 4.01Å; V391-F393 HydrophobicContact CG2-CD1 3.73Å; V391-F393 HydrophobicContact CG2-CE1 3.48Å; V391-F393 VanDerWaalsContact CG2-CE1 3.48Å; V391-F393 HydrophobicContact CG2-CG 4.44Å; V391-F393 HydrophobicContact CG2-CZ 3.99Å; V391-F393 PolarHBondContact O-N 2.83Å; F393-P395 HydrophobicContact CE2-CG 4.31Å; F393-P395 VanDerWaalsContact O-CD 3.22Å; F393-P395 WeakPolarHBondContact O-CD 3.46Å; F393-Y423 PolarHBondContact N-O 3.45Å; F393-G425 WeakPolarHBondContact O-CA 3.36Å; F393-G425 PolarHBondContact O-N 2.83Å |
| 394 | A | 96.1 | Very high | 95 | Very high | 8 Ų | 8 | 37.9 Ų | 37.9 | 7% | 0.066 | 19% | 0.187 | C | C | . | . | trans | -91.4 | 108.4 | 172 | 0 | 0 | 0 | 0 | 0 | 110.7 | V176 E178 S396 G397 L398 Y423 | V176-A394 HydrophobicContact CG1-CB 4.38Å; E178-A394 WeakPolarHBondContact OE2-CA 3.25Å; E178-A394 WeakPolarHBondContact OE2-CB 3.46Å; A394-S396 PolarHBondContact O-N 2.82Å; A394-G397 PolarHBondContact O-N 2.86Å; A394-L398 HydrophobicContact CB-CB 4.48Å; A394-Y423 HydrophobicContact CB-CD1 3.86Å | ||
| 395 | P | 95.2 | Very high | 95 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | -29.8 | 172.6 | -32.2 | 37.6 | 0 | 0 | 0 | 116.5 | E178 V180 V195 I283 P285 F393 G397 | E178-P395 WeakPolarHBondContact OE2-CD 3.29Å; V180-P395 HydrophobicContact CG2-CB 3.42Å; V180-P395 VanDerWaalsContact CG2-CB 3.42Å; V180-P395 HydrophobicContact CG2-CG 3.29Å; V195-P395 HydrophobicContact CG2-CB 4.01Å; I283-P395 PolarHBondContact N-O 2.88Å; P285-P395 HydrophobicContact CG-CG 4.34Å; F393-P395 HydrophobicContact CE2-CG 4.31Å; F393-P395 VanDerWaalsContact O-CD 3.22Å; F393-P395 WeakPolarHBondContact O-CD 3.46Å; P395-G397 PolarHBondContact O-N 2.87Å |
| 396 | S | 94.4 | Very high | 95 | Very high | 5 Ų | 5 | 41.4 Ų | 41.4 | 4% | 0.035 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -12.9 | 175.9 | 75.5 | 0 | 0 | 0 | 0 | 113.5 | E178 I240 A394 L398 | E178-S396 VanDerWaalsContact CD-OG 3.31Å; E178-S396 WeakPolarHBondContact OE1-CB 3.24Å; E178-S396 PolarHBondContact OE1-OG 2.79Å; E178-S396 PolarHBondContact OE2-N 2.89Å; E178-S396 PolarHBondContact OE2-OG 2.84Å; I240-S396 VanDerWaalsContact CD1-OG 3.27Å; I240-S396 WeakPolarHBondContact CD1-OG 3.32Å; A394-S396 PolarHBondContact O-N 2.82Å; S396-L398 VanDerWaalsContact C-N 3.3Å; S396-L398 WeakPolarHBondContact OG-CB 3.43Å; S396-L398 PolarHBondContact OG-N 2.84Å; S396-L398 VanDerWaalsContact OG-N 3.09Å |
| 397 | G | 91.9 | Very high | 94.9 | Very high | 11 Ų | 11 | 40.2 Ų | 40.2 | 11% | 0.113 | 19% | 0.191 | C | C | . | . | trans | 77.8 | 10.8 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | N216 A394 P395 K399 | N216-G397 PolarHBondContact ND2-O 2.98Å; A394-G397 PolarHBondContact O-N 2.86Å; P395-G397 PolarHBondContact O-N 2.87Å; G397-K399 PolarHBondContact O-N 2.96Å | ||
| 398 | L | 93.1 | Very high | 94.6 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | trans | -55.9 | 131.3 | 172.9 | -167.9 | 141.3 | 0 | 0 | 0 | 110.6 | V176 M215 I240 Y276 A394 S396 Y423 | V176-L398 HydrophobicContact CG1-CD2 3.91Å; V176-L398 HydrophobicContact CG2-CD2 4.05Å; M215-L398 HydrophobicContact SD-CD1 4.03Å; I240-L398 HydrophobicContact CD1-CB 3.89Å; I240-L398 HydrophobicContact CD1-CD1 4.04Å; I240-L398 HydrophobicContact CD1-CG 4.39Å; Y276-L398 HydrophobicContact CD1-CD1 4.42Å; Y276-L398 HydrophobicContact CD2-CD1 4.4Å; Y276-L398 HydrophobicContact CE1-CD1 3.87Å; Y276-L398 HydrophobicContact CE2-CD1 3.84Å; A394-L398 HydrophobicContact CB-CB 4.48Å; S396-L398 VanDerWaalsContact C-N 3.3Å; S396-L398 WeakPolarHBondContact OG-CB 3.43Å; S396-L398 PolarHBondContact OG-N 2.84Å; S396-L398 VanDerWaalsContact OG-N 3.09Å; L398-Y423 HydrophobicContact CD2-CE1 4.41Å; L398-Y423 VanDerWaalsContact O-CE1 3.28Å; L398-Y423 WeakPolarHBondContact O-CE1 3.02Å | ||
| 399 | K | 92.3 | Very high | 94.2 | Very high | 99 Ų | 99 | 47.3 Ų | 47.3 | 43% | 0.43 | 23% | 0.226 | S | C | . | . | trans | -133.7 | 131.8 | 173.1 | -66.3 | 177.8 | -169.2 | 164 | 0 | 109.5 | M215 N216 G397 R401 | M215-K399 WeakPolarHBondContact CA-O 3.46Å; N216-K399 PolarHBondContact N-O 2.75Å; N216-K399 VanDerWaalsContact N-O 3.15Å; N216-K399 PolarHBondContact OD1-N 2.89Å; N216-K399 PolarHBondContact OD1-O 3.36Å; G397-K399 PolarHBondContact O-N 2.96Å; K399-R401 PolarHBondContact O-N 2.87Å | ||
| 400 | V | 92.1 | Very high | 93.9 | Very high | 31 Ų | 31 | 51.1 Ų | 51.1 | 19% | 0.188 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 115.5 | 168.1 | -176.3 | 0 | 0 | 0 | 0 | 107.9 | L174 V176 F213 V421 Y423 | L174-V400 HydrophobicContact CD1-CG1 4.36Å; L174-V400 HydrophobicContact CD1-CG2 4.46Å; V176-V400 HydrophobicContact CG2-CG2 4.23Å; F213-V400 HydrophobicContact CD2-CG1 4.14Å; F213-V400 HydrophobicContact CE2-CB 4.18Å; F213-V400 HydrophobicContact CE2-CG1 3.65Å; F213-V400 HydrophobicContact CE2-CG2 3.63Å; F213-V400 HydrophobicContact CZ-CG2 4.04Å; V400-V421 HydrophobicContact CB-CG2 4.46Å; V400-V421 HydrophobicContact CG2-CG2 3.85Å; V400-Y423 PolarHBondContact N-OH 3.03Å |
| 401 | R | 90.3 | Very high | 93.5 | Very high | 121 Ų | 121 | 55 Ų | 55 | 46% | 0.457 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | -42.1 | 176.6 | -73 | -174.8 | 67.4 | -172.8 | -0.3 | 111.2 | G214 M215 N216 K399 | G214-R401 PolarHBondContact O-N 3Å; M215-R401 WeakPolarHBondContact O-CD 3.43Å; N216-R401 HydrophobicContact CB-CG 4.31Å; K399-R401 PolarHBondContact O-N 2.87Å |
| 402 | Y | 91.2 | Very high | 93.3 | Very high | 86 Ų | 86 | 55.7 Ų | 55.7 | 34% | 0.337 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 153.3 | 177 | 60.5 | -98.8 | 0 | 0 | 0 | 110.8 | K212 G214 K404 | K212-Y402 HydrophobicContact CB-CE2 4.45Å; G214-Y402 PolarHBondContact N-O 2.85Å; G214-Y402 PolarHBondContact O-N 3.29Å; Y402-K404 HydrophobicContact CD2-CG 4.01Å |
| 403 | L | 93.6 | Very high | 93.2 | Very high | 18 Ų | 18 | 54.4 Ų | 54.4 | 9% | 0.094 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 109.9 | 165.1 | 177.3 | 66.3 | 0 | 0 | 0 | 106.6 | L172 L174 K212 F213 K419 | L172-L403 HydrophobicContact CB-CD2 4.2Å; L172-L403 HydrophobicContact CD1-CD2 3.66Å; L172-L403 HydrophobicContact CD1-CG 4.3Å; L174-L403 HydrophobicContact CD1-CD2 3.75Å; L174-L403 HydrophobicContact CD1-CG 4.49Å; L174-L403 HydrophobicContact CG-CD2 4.15Å; K212-L403 CarbonylContact O-C 3.54Å; K212-L403 WeakPolarHBondContact O-CA 3.28Å; F213-L403 HydrophobicContact CB-CD1 4.21Å; F213-L403 HydrophobicContact CD2-CD1 4.34Å; L403-K419 HydrophobicContact CD2-CD 4.47Å; L403-K419 HydrophobicContact CD2-CG 4.42Å; L403-K419 WeakPolarHBondContact O-CE 3.39Å; L403-K419 PolarHBondContact O-NZ 2.97Å |
| 404 | K | 94.8 | Very high | 92.9 | Very high | 107 Ų | 107 | 55.4 Ų | 55.4 | 47% | 0.465 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 146 | 177.2 | -58.7 | -171.8 | 177.1 | -172.5 | 0 | 110.5 | C211 K212 Y402 D414 | C211-K404 CarbonylContact C-O 3.57Å; C211-K404 WeakPolarHBondContact CA-O 3.47Å; K212-K404 HydrophobicContact CB-CB 4.26Å; K212-K404 PolarHBondContact N-O 3.18Å; K212-K404 PolarHBondContact O-N 2.82Å; Y402-K404 HydrophobicContact CD2-CG 4.01Å; K404-D414 VanDerWaalsContact C-OD1 3.3Å; K404-D414 WeakPolarHBondContact CA-OD1 3.41Å; K404-D414 WeakPolarHBondContact CB-OD2 3.47Å; K404-D414 WeakPolarHBondContact CG-OD2 3.48Å |
| 405 | V | 96 | Very high | 92.6 | Very high | 3 Ų | 3 | 63.4 Ų | 63.4 | 2% | 0.018 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 130.8 | -177.6 | -171.9 | 0 | 0 | 0 | 0 | 107.4 | L172 L205 P209 Y412 S413 D414 V417 | L172-V405 HydrophobicContact CD1-CG2 3.41Å; L172-V405 VanDerWaalsContact CD1-CG2 3.41Å; L205-V405 HydrophobicContact CD1-CG1 3.99Å; P209-V405 HydrophobicContact CB-CG1 3.96Å; V405-Y412 HydrophobicContact CG1-CE2 4.08Å; V405-S413 CarbonylContact O-C 3.55Å; V405-D414 PolarHBondContact N-OD1 3.24Å; V405-D414 PolarHBondContact O-N 3.35Å; V405-V417 HydrophobicContact CB-CG2 4.2Å; V405-V417 HydrophobicContact CG1-CG2 4.02Å; V405-V417 HydrophobicContact CG2-CG1 4.36Å |
| 406 | F | 95.6 | Very high | 92.5 | Very high | 110 Ų | 110 | 67.5 Ų | 67.5 | 48% | 0.482 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 122.8 | 177.7 | 178.7 | -109 | 0 | 0 | 0 | 109.5 | P209 E210 P408 | P209-F406 CarbonylContact C-O 3.54Å; P209-F406 WeakPolarHBondContact CA-O 3.5Å; E210-F406 PolarHBondContact N-O 3.42Å; E210-F406 PolarHBondContact O-N 3.41Å; F406-P408 HydrophobicContact CD1-CB 4.5Å; F406-P408 HydrophobicContact CE1-CB 3.72Å; F406-P408 HydrophobicContact CE1-CG 4.2Å; F406-P408 HydrophobicContact CZ-CB 4.1Å |
| 407 | E | 95.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | B | Isolated β-bridge | trans | -114.9 | 101.3 | 174.4 | 174.2 | 49.3 | -115.3 | 0 | 0 | 109.7 | M208 P209 K409 L410 N411 Y412 | M208-E407 VanDerWaalsContact CA-OE2 3.25Å; M208-E407 WeakPolarHBondContact CA-OE2 3.4Å; M208-E407 PolarHBondContact N-OE2 2.83Å; P209-E407 VanDerWaalsContact CA-OE2 3.28Å; P209-E407 WeakPolarHBondContact CA-OE2 3.45Å; P209-E407 HydrophobicContact CB-CB 4.25Å; P209-E407 WeakPolarHBondContact CD-OE2 3.39Å; E407-K409 PolarHBondContact O-N 2.99Å; E407-K409 WeakPolarHBondContact OE1-CB 3.3Å; E407-K409 PolarHBondContact OE1-N 2.85Å; E407-L410 HydrophobicContact CG-CB 3.68Å; E407-L410 HydrophobicContact CG-CD1 4.3Å; E407-L410 HydrophobicContact CG-CG 4.06Å; E407-N411 WeakPolarHBondContact O-CA 3.37Å; E407-N411 PolarHBondContact O-N 3.47Å; E407-Y412 HydrophobicContact CB-CD1 3.66Å; E407-Y412 HydrophobicContact CB-CD2 4.15Å; E407-Y412 HydrophobicContact CB-CE1 3.38Å; E407-Y412 HydrophobicContact CB-CE2 3.88Å; E407-Y412 HydrophobicContact CB-CG 4.02Å; E407-Y412 VanDerWaalsContact CB-CZ 3.48Å; E407-Y412 HydrophobicContact CG-CD1 3.85Å; E407-Y412 HydrophobicContact CG-CE1 3.5Å; E407-Y412 PolarHBondContact N-O 2.86Å; E407-Y412 PolarHBondContact O-N 2.93Å |
| 408 | P | 90.4 | Very high | 92.8 | Very high | 80 Ų | 80 | 70.8 Ų | 70.8 | 52% | 0.519 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -33.7 | -175.4 | 24.6 | -32.2 | 0 | 0 | 0 | 113.7 | F406 | F406-P408 HydrophobicContact CD1-CB 4.5Å; F406-P408 HydrophobicContact CE1-CB 3.72Å; F406-P408 HydrophobicContact CE1-CG 4.2Å; F406-P408 HydrophobicContact CZ-CB 4.1Å |
| 409 | K | 91.3 | Very high | 92.9 | Very high | 147 Ų | 147 | 74.1 Ų | 74.1 | 64% | 0.639 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -38.1 | -173.6 | -64.8 | -177.1 | 178.2 | -178.6 | 0 | 112.2 | E163 E407 | E163-K409 IonicContact OE1-NZ 3.68Å; E163-K409 PolarHBondContact OE1-NZ 3.32Å; E163-K409 IonicContact OE2-NZ 3.56Å; E407-K409 PolarHBondContact O-N 2.99Å; E407-K409 WeakPolarHBondContact OE1-CB 3.3Å; E407-K409 PolarHBondContact OE1-N 2.85Å |
| 410 | L | 90.8 | Very high | 93.1 | Very high | 87 Ų | 87 | 77 Ų | 77 | 46% | 0.455 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 1.2 | 179.6 | -56.3 | 176.5 | 0 | 0 | 0 | 112.9 | E407 Y412 | E407-L410 HydrophobicContact CG-CB 3.68Å; E407-L410 HydrophobicContact CG-CD1 4.3Å; E407-L410 HydrophobicContact CG-CG 4.06Å; L410-Y412 VanDerWaalsContact C-N 3.31Å; L410-Y412 HydrophobicContact CB-CD1 3.98Å; L410-Y412 HydrophobicContact CB-CE1 4.35Å; L410-Y412 HydrophobicContact CD1-CE1 4.34Å; L410-Y412 PolarHBondContact O-N 2.71Å |
| 411 | N | 89.7 | Confident | 93.3 | Very high | 140 Ų | 140 | 78.9 Ų | 78.9 | 75% | 0.749 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 42.6 | 175.3 | -162.8 | 37 | 0 | 0 | 0 | 114.1 | E407 | E407-N411 WeakPolarHBondContact O-CA 3.37Å; E407-N411 PolarHBondContact O-N 3.47Å |
| 412 | Y | 93.8 | Very high | 93.6 | Very high | 18 Ų | 18 | 79.2 Ų | 79.2 | 7% | 0.071 | 38% | 0.378 | C | S | . | . | B | Isolated β-bridge | trans | -115.8 | 151.7 | 170.9 | 80.6 | -105.6 | 0 | 0 | 0 | 110.9 | S206 V405 E407 L410 D416 V417 | S206-Y412 PolarHBondContact N-OH 2.9Å; S206-Y412 WeakPolarHBondContact O-CE1 3.34Å; S206-Y412 PolarHBondContact O-OH 3.11Å; V405-Y412 HydrophobicContact CG1-CE2 4.08Å; E407-Y412 HydrophobicContact CB-CD1 3.66Å; E407-Y412 HydrophobicContact CB-CD2 4.15Å; E407-Y412 HydrophobicContact CB-CE1 3.38Å; E407-Y412 HydrophobicContact CB-CE2 3.88Å; E407-Y412 HydrophobicContact CB-CG 4.02Å; E407-Y412 VanDerWaalsContact CB-CZ 3.48Å; E407-Y412 HydrophobicContact CG-CD1 3.85Å; E407-Y412 HydrophobicContact CG-CE1 3.5Å; E407-Y412 PolarHBondContact N-O 2.86Å; E407-Y412 PolarHBondContact O-N 2.93Å; L410-Y412 VanDerWaalsContact C-N 3.31Å; L410-Y412 HydrophobicContact CB-CD1 3.98Å; L410-Y412 HydrophobicContact CB-CE1 4.35Å; L410-Y412 HydrophobicContact CD1-CE1 4.34Å; L410-Y412 PolarHBondContact O-N 2.71Å; Y412-D416 WeakPolarHBondContact CA-OD2 3.44Å; Y412-D416 HydrophobicContact CD2-CB 4.33Å; Y412-D416 HydrophobicContact CG-CB 4.49Å; Y412-V417 HydrophobicContact CD2-CG2 3.84Å; Y412-V417 HydrophobicContact CE2-CG2 3.65Å |
| 413 | S | 93.2 | Very high | 93.9 | Very high | 40 Ų | 40 | 77.8 Ų | 77.8 | 28% | 0.28 | 37% | 0.372 | S | S | . | . | trans | -134.4 | -167.4 | -168.4 | 72.6 | 0 | 0 | 0 | 0 | 111.9 | V405 H415 D416 | V405-S413 CarbonylContact O-C 3.55Å; S413-H415 PolarHBondContact O-N 2.86Å; S413-H415 VanDerWaalsContact O-N 3.14Å; S413-D416 PolarHBondContact N-OD2 3.3Å; S413-D416 PolarHBondContact O-N 3.41Å; S413-D416 PolarHBondContact OG-OD2 3.17Å | ||
| 414 | D | 89.6 | Confident | 94.1 | Very high | 50 Ų | 50 | 78.6 Ų | 78.6 | 27% | 0.267 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -53.1 | -33 | -179.8 | -82.8 | -29.7 | 0 | 0 | 0 | 115.1 | K404 V405 D416 K419 | K404-D414 VanDerWaalsContact C-OD1 3.3Å; K404-D414 WeakPolarHBondContact CA-OD1 3.41Å; K404-D414 WeakPolarHBondContact CB-OD2 3.47Å; K404-D414 WeakPolarHBondContact CG-OD2 3.48Å; V405-D414 PolarHBondContact N-OD1 3.24Å; V405-D414 PolarHBondContact O-N 3.35Å; D414-D416 VanDerWaalsContact C-N 3.3Å; D414-K419 VanDerWaalsContact CG-NZ 3.33Å; D414-K419 IonicContact OD1-NZ 3.45Å; D414-K419 PolarHBondContact OD1-NZ 2.69Å |
| 415 | H | 89.9 | Confident | 94.3 | Very high | 176 Ų | 176 | 73.5 Ų | 73.5 | 82% | 0.815 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -76.6 | -20.6 | -177.3 | -62.3 | -73.2 | 0 | 0 | 0 | 112.8 | S413 | S413-H415 PolarHBondContact O-N 2.86Å; S413-H415 VanDerWaalsContact O-N 3.14Å |
| 416 | D | 93.3 | Very high | 94.3 | Very high | 86 Ų | 86 | 78.8 Ų | 78.8 | 46% | 0.46 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -94.3 | 2.1 | -176.1 | -50.7 | -61.7 | 0 | 0 | 0 | 112.4 | Y412 S413 D414 | Y412-D416 WeakPolarHBondContact CA-OD2 3.44Å; Y412-D416 HydrophobicContact CD2-CB 4.33Å; Y412-D416 HydrophobicContact CG-CB 4.49Å; S413-D416 PolarHBondContact N-OD2 3.3Å; S413-D416 PolarHBondContact O-N 3.41Å; S413-D416 PolarHBondContact OG-OD2 3.17Å; D414-D416 VanDerWaalsContact C-N 3.3Å |
| 417 | V | 95.8 | Very high | 94.3 | Very high | 11 Ų | 11 | 74.3 Ų | 74.3 | 7% | 0.067 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 123.3 | -174.5 | -176.9 | 0 | 0 | 0 | 0 | 110.5 | N170 L172 L205 V405 Y412 K419 | N170-V417 HydrophobicContact CB-CG1 4.49Å; N170-V417 HydrophobicContact CB-CG2 3.95Å; N170-V417 WeakPolarHBondContact O-CA 3.31Å; L172-V417 HydrophobicContact CD1-CG1 4.12Å; L172-V417 HydrophobicContact CG-CG1 3.99Å; L205-V417 HydrophobicContact CD2-CG1 3.78Å; L205-V417 HydrophobicContact CD2-CG2 4.15Å; V405-V417 HydrophobicContact CB-CG2 4.2Å; V405-V417 HydrophobicContact CG1-CG2 4.02Å; V405-V417 HydrophobicContact CG2-CG1 4.36Å; Y412-V417 HydrophobicContact CD2-CG2 3.84Å; Y412-V417 HydrophobicContact CE2-CG2 3.65Å; V417-K419 HydrophobicContact CG1-CG 4.15Å |
| 418 | I | 96.6 | Very high | 94.3 | Very high | 74 Ų | 74 | 75.5 Ų | 75.5 | 38% | 0.379 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 128.1 | 173.4 | -57.4 | 174.5 | 0 | 0 | 0 | 108.6 | N170 E171 L172 W420 | N170-I418 PolarHBondContact O-N 3.06Å; E171-I418 CarbonylContact C-O 3.41Å; E171-I418 WeakPolarHBondContact CA-O 3.48Å; E171-I418 HydrophobicContact CG-CB 4.27Å; L172-I418 PolarHBondContact N-O 3.08Å; I418-W420 VanDerWaalsContact CG2-NE1 3.34Å |
| 419 | K | 95.9 | Very high | 94.4 | Very high | 71 Ų | 71 | 76.9 Ų | 76.9 | 31% | 0.309 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 128.8 | -174.6 | -60.4 | 165.9 | -168.5 | 173.5 | 0 | 110.5 | L172 L403 D414 V417 | L172-K419 HydrophobicContact CB-CG 4.46Å; L172-K419 CarbonylContact O-C 3.55Å; L172-K419 WeakPolarHBondContact O-CA 3.24Å; L403-K419 HydrophobicContact CD2-CD 4.47Å; L403-K419 HydrophobicContact CD2-CG 4.42Å; L403-K419 WeakPolarHBondContact O-CE 3.39Å; L403-K419 PolarHBondContact O-NZ 2.97Å; D414-K419 VanDerWaalsContact CG-NZ 3.33Å; D414-K419 IonicContact OD1-NZ 3.45Å; D414-K419 PolarHBondContact OD1-NZ 2.69Å; V417-K419 HydrophobicContact CG1-CG 4.15Å |
| 420 | W | 96.8 | Very high | 94.7 | Very high | 160 Ų | 160 | 70.1 Ų | 70.1 | 61% | 0.606 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 143.7 | 176.1 | -64.8 | 90.9 | 0 | 0 | 0 | 110.3 | L172 F173 L174 I418 | L172-W420 PolarHBondContact O-N 3.1Å; F173-W420 HydrophobicContact CD1-CB 3.6Å; F173-W420 AromaticContact CD1-CD1 3.56Å; F173-W420 AromaticContact CD1-CG 3.72Å; F173-W420 HydrophobicContact CD1-CG 3.72Å; F173-W420 HydrophobicContact CE1-CB 4.16Å; F173-W420 AromaticContact CE1-CD1 3.22Å; F173-W420 AromaticContact CE1-CG 3.74Å; F173-W420 HydrophobicContact CE1-CG 3.74Å; F173-W420 AromaticContact CE1-NE1 3.78Å; F173-W420 HydrophobicContact CG-CB 4.36Å; F173-W420 AromaticContact CZ-CD1 3.9Å; L174-W420 PolarHBondContact N-O 3.05Å; I418-W420 VanDerWaalsContact CG2-NE1 3.34Å |
| 421 | V | 96.6 | Very high | 95 | Very high | 70 Ų | 70 | 69 Ų | 69 | 42% | 0.424 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 134.1 | 170.7 | 62.7 | 0 | 0 | 0 | 0 | 109.7 | L174 V176 V400 Y423 | L174-V421 HydrophobicContact CB-CB 4.39Å; L174-V421 HydrophobicContact CB-CG2 4.2Å; L174-V421 CarbonylContact O-C 3.57Å; L174-V421 VanDerWaalsContact O-CA 3.3Å; L174-V421 WeakPolarHBondContact O-CA 3.43Å; V176-V421 HydrophobicContact CG2-CG2 4.48Å; V400-V421 HydrophobicContact CB-CG2 4.46Å; V400-V421 HydrophobicContact CG2-CG2 3.85Å; V421-Y423 HydrophobicContact CG1-CE2 4.14Å; V421-Y423 HydrophobicContact CG2-CD2 4.38Å; V421-Y423 HydrophobicContact CG2-CE1 4.44Å; V421-Y423 HydrophobicContact CG2-CE2 3.7Å |
| 422 | R | 96.2 | Very high | 95.2 | Very high | 129 Ų | 129 | 62.4 Ų | 62.4 | 49% | 0.487 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 146.7 | 169.4 | 64.9 | 177.4 | -176.5 | 171.4 | 1.2 | 110.7 | L174 D175 V176 | L174-R422 PolarHBondContact O-N 3.45Å; D175-R422 HydrophobicContact CB-CG 4.37Å; D175-R422 WeakPolarHBondContact OD1-CD 3.19Å; D175-R422 WeakPolarHBondContact OD1-CG 3.4Å; D175-R422 IonicContact OD1-CZ 2.66Å; D175-R422 IonicContact OD1-NE 3.33Å; D175-R422 PolarHBondContact OD1-NE 3.24Å; D175-R422 IonicContact OD1-NH2 2.71Å; D175-R422 IonicContact OD2-CZ 3.24Å; D175-R422 VanDerWaalsContact OD2-CZ 3.32Å; D175-R422 IonicContact OD2-NE 2.78Å; D175-R422 PolarHBondContact OD2-NE 2.94Å; D175-R422 IonicContact OD2-NH2 2.69Å; D175-R422 PolarHBondContact OD2-NH2 3.46Å; V176-R422 PolarHBondContact N-O 2.95Å |
| 423 | Y | 97.6 | Very high | 95.2 | Very high | 56 Ų | 56 | 67.7 Ų | 67.7 | 22% | 0.22 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 125.5 | 179.3 | -59.8 | -92.5 | 0 | 0 | 0 | 109 | V176 P392 F393 A394 L398 V400 V421 | V176-Y423 HydrophobicContact CB-CD1 3.58Å; V176-Y423 HydrophobicContact CB-CE1 4Å; V176-Y423 HydrophobicContact CB-CG 4.38Å; V176-Y423 HydrophobicContact CG1-CD1 3.86Å; V176-Y423 HydrophobicContact CG1-CE1 4.27Å; V176-Y423 HydrophobicContact CG2-CD1 3.86Å; V176-Y423 HydrophobicContact CG2-CE1 3.73Å; P392-Y423 CarbonylContact C-O 3.53Å; P392-Y423 VanDerWaalsContact C-O 3.32Å; F393-Y423 PolarHBondContact N-O 3.45Å; A394-Y423 HydrophobicContact CB-CD1 3.86Å; L398-Y423 HydrophobicContact CD2-CE1 4.41Å; L398-Y423 VanDerWaalsContact O-CE1 3.28Å; L398-Y423 WeakPolarHBondContact O-CE1 3.02Å; V400-Y423 PolarHBondContact N-OH 3.03Å; V421-Y423 HydrophobicContact CG1-CE2 4.14Å; V421-Y423 HydrophobicContact CG2-CD2 4.38Å; V421-Y423 HydrophobicContact CG2-CE1 4.44Å; V421-Y423 HydrophobicContact CG2-CE2 3.7Å |
| 424 | I | 97.6 | Very high | 94.7 | Very high | 35 Ų | 35 | 67.3 Ų | 67.3 | 18% | 0.179 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 110.3 | -178.4 | -52 | 177 | 0 | 0 | 0 | 108.6 | V176 L177 E178 E390 | V176-I424 PolarHBondContact O-N 3.22Å; L177-I424 WeakPolarHBondContact CA-O 3.28Å; L177-I424 HydrophobicContact CD2-CB 3.8Å; L177-I424 HydrophobicContact CD2-CD1 3.88Å; L177-I424 HydrophobicContact CD2-CG1 4.15Å; E178-I424 PolarHBondContact N-O 3.32Å; E390-I424 HydrophobicContact CG-CG2 3.85Å |
| 425 | G | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 136.7 | 169 | 0 | 0 | 0 | 0 | 0 | 109.9 | E178 E390 V391 F393 | E178-G425 CarbonylContact O-C 3.59Å; E178-G425 WeakPolarHBondContact O-CA 3.39Å; E390-G425 CarbonylContact C-O 3.57Å; E390-G425 WeakPolarHBondContact CA-O 3.26Å; V391-G425 WeakPolarHBondContact CG2-O 3.23Å; V391-G425 PolarHBondContact N-O 2.7Å; V391-G425 PolarHBondContact O-N 3.14Å; F393-G425 WeakPolarHBondContact O-CA 3.36Å; F393-G425 PolarHBondContact O-N 2.83Å |
| 426 | R | 97.4 | Very high | 95.2 | Very high | 113 Ų | 113 | 62.5 Ų | 62.5 | 43% | 0.426 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 160.1 | 174.1 | 57.5 | 178.8 | 178 | -173.8 | 3.1 | 110.3 | E178 S179 V180 F389 | E178-R426 VanDerWaalsContact O-CG 3.3Å; E178-R426 WeakPolarHBondContact O-CG 3.19Å; E178-R426 PolarHBondContact O-N 3.15Å; S179-R426 CarbonylContact C-O 3.58Å; S179-R426 WeakPolarHBondContact CA-O 3.37Å; V180-R426 PolarHBondContact N-O 2.9Å; F389-R426 WeakPolarHBondContact O-CA 3.47Å |
| 427 | S | 95.8 | Very high | 95.3 | Very high | 16 Ų | 16 | 61.2 Ų | 61.2 | 11% | 0.112 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 137.9 | 164.9 | 53.5 | 0 | 0 | 0 | 0 | 110.4 | M387 N388 F389 | M387-S427 VanDerWaalsContact O-CB 3.28Å; M387-S427 WeakPolarHBondContact O-CB 3.23Å; N388-S427 VanDerWaalsContact CA-OG 3.23Å; N388-S427 WeakPolarHBondContact CA-OG 3.4Å; N388-S427 PolarHBondContact OD1-OG 3.4Å; N388-S427 VanDerWaalsContact OD1-OG 3.09Å; F389-S427 PolarHBondContact N-OG 2.82Å; F389-S427 PolarHBondContact O-N 2.83Å |
| 428 | G | 94.1 | Very high | 95.3 | Very high | 26 Ų | 26 | 64.2 Ų | 64.2 | 27% | 0.268 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | -118.5 | 155.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | S179 V180 N181 Y430 | S179-G428 WeakPolarHBondContact OG-CA 3.43Å; S179-G428 PolarHBondContact OG-N 2.59Å; V180-G428 PolarHBondContact O-N 2.85Å; N181-G428 WeakPolarHBondContact OD1-CA 3.28Å; G428-Y430 PolarHBondContact O-N 3.03Å |
| 429 | I | 93.9 | Very high | 95.2 | Very high | 110 Ų | 110 | 63.6 Ų | 63.6 | 56% | 0.564 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 97.7 | 166.8 | -57.3 | 172.2 | 0 | 0 | 0 | 107.4 | N181 L182 E431 | N181-I429 CarbonylContact C-O 3.56Å; N181-I429 VanDerWaalsContact CA-O 3.24Å; N181-I429 WeakPolarHBondContact CA-O 3.39Å; N181-I429 PolarHBondContact OD1-N 2.79Å; L182-I429 PolarHBondContact N-O 2.92Å; L182-I429 VanDerWaalsContact O-O 3.06Å; I429-E431 HydrophobicContact CG2-CG 4Å |
| 430 | Y | 96.8 | Very high | 95.2 | Very high | 5 Ų | 5 | 63.1 Ų | 63.1 | 2% | 0.02 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 93 | -176.9 | -160.6 | -79.3 | 0 | 0 | 0 | 110.3 | V180 L182 F286 V288 S386 M387 F389 G428 | V180-Y430 HydrophobicContact CB-CD2 4.33Å; V180-Y430 HydrophobicContact CG1-CD2 4.13Å; V180-Y430 HydrophobicContact CG1-CE2 3.99Å; L182-Y430 HydrophobicContact CB-CD2 3.59Å; L182-Y430 HydrophobicContact CB-CE2 3.65Å; L182-Y430 HydrophobicContact CB-CG 4.09Å; L182-Y430 HydrophobicContact CD2-CD1 4.28Å; L182-Y430 HydrophobicContact CD2-CD2 4.24Å; L182-Y430 HydrophobicContact CD2-CE1 3.66Å; L182-Y430 HydrophobicContact CD2-CE2 3.6Å; L182-Y430 WeakPolarHBondContact CD2-OH 3.33Å; L182-Y430 HydrophobicContact CG-CE2 4.25Å; F286-Y430 PolarHBondContact O-OH 2.81Å; V288-Y430 HydrophobicContact CG2-CE1 4.48Å; S386-Y430 VanDerWaalsContact CA-O 3.32Å; S386-Y430 WeakPolarHBondContact CA-O 3.22Å; M387-Y430 HydrophobicContact CB-CD1 3.93Å; M387-Y430 PolarHBondContact N-O 3.17Å; M387-Y430 WeakPolarHBondContact O-CB 3.12Å; F389-Y430 HydrophobicContact CE1-CD1 4.15Å; F389-Y430 AromaticContact CE1-CD2 3.72Å; F389-Y430 HydrophobicContact CE1-CD2 3.72Å; F389-Y430 HydrophobicContact CE1-CE1 4.25Å; F389-Y430 AromaticContact CE1-CE2 3.86Å; F389-Y430 HydrophobicContact CE1-CE2 3.86Å; F389-Y430 AromaticContact CE1-CG 3.86Å; F389-Y430 HydrophobicContact CE1-CG 3.86Å; F389-Y430 AromaticContact CZ-CD2 3.93Å; F389-Y430 HydrophobicContact CZ-CD2 3.93Å; F389-Y430 AromaticContact CZ-CE2 3.93Å; F389-Y430 HydrophobicContact CZ-CE2 3.93Å; G428-Y430 PolarHBondContact O-N 3.03Å |
| 431 | E | 96.6 | Very high | 95 | Very high | 63 Ų | 63 | 56.1 Ų | 56.1 | 29% | 0.294 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 141.5 | -164 | -72.4 | -173.9 | 172.2 | 0 | 0 | 112.5 | L182 L183 M184 P384 I385 I429 | L182-E431 PolarHBondContact O-N 3.12Å; L183-E431 CarbonylContact C-O 3.52Å; L183-E431 WeakPolarHBondContact CA-O 3.23Å; L183-E431 HydrophobicContact CD1-CB 4.3Å; M184-E431 PolarHBondContact N-O 2.62Å; P384-E431 HydrophobicContact CB-CB 4.01Å; P384-E431 HydrophobicContact CB-CG 4.44Å; P384-E431 HydrophobicContact CG-CB 4.28Å; P384-E431 HydrophobicContact CG-CG 4.31Å; P384-E431 WeakPolarHBondContact CG-OE2 3.31Å; I385-E431 CarbonylContact O-C 3.58Å; I385-E431 WeakPolarHBondContact O-CA 3.48Å; I429-E431 HydrophobicContact CG2-CG 4Å |
| 432 | T | 95.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 122.4 | 174 | -55.9 | 0 | 0 | 0 | 0 | 109.1 | M184 P290 P384 I385 | M184-T432 HydrophobicContact CB-CG2 4.09Å; M184-T432 HydrophobicContact CE-CG2 3.56Å; M184-T432 WeakPolarHBondContact CE-OG1 3.43Å; M184-T432 HydrophobicContact CG-CG2 4.45Å; P290-T432 HydrophobicContact CG-CG2 3.87Å; P384-T432 CarbonylContact C-O 3.48Å; P384-T432 WeakPolarHBondContact CA-O 3.47Å; P384-T432 WeakPolarHBondContact CB-O 3.16Å; I385-T432 PolarHBondContact N-O 2.87Å; I385-T432 PolarHBondContact O-N 3.08Å |
| 433 | R | 92.3 | Very high | 94.8 | Very high | 129 Ų | 129 | 48.9 Ų | 48.9 | 49% | 0.487 | 23% | 0.233 | S | C | . | . | trans | -67 | 151.6 | 176.3 | -66.3 | -179.6 | 177.1 | 176.1 | -1.1 | 110.4 | L183 M184 P186 | L183-R433 HydrophobicContact CD1-CG 4.15Å; M184-R433 PolarHBondContact O-N 3.31Å; P186-R433 VanDerWaalsContact CA-O 3.23Å; P186-R433 WeakPolarHBondContact CA-O 3.4Å; P186-R433 HydrophobicContact CG-CB 3.93Å | ||
| 434 | C | 83 | Confident | 94.6 | Very high | 33 Ų | 33 | 48.3 Ų | 48.3 | 22% | 0.223 | 24% | 0.235 | C | C | . | . | trans | -138.5 | 0 | -178 | 54.5 | 0 | 0 | 0 | 0 | 112.9 | P290 V292 R382 P383 | P290-C434 HydrophobicContact CB-CB 3.92Å; P290-C434 HydrophobicContact CG-CB 4.08Å; V292-C434 HydrophobicContact CG2-CB 4.02Å; R382-C434 WeakPolarHBondContact CB-O 3.43Å; R382-C434 VanDerWaalsContact CD-C 3.5Å; R382-C434 VanDerWaalsContact CD-O 3.28Å; R382-C434 WeakPolarHBondContact CD-O 3.22Å; R382-C434 VanDerWaalsContact CD-OXT 3.28Å; R382-C434 WeakPolarHBondContact CD-OXT 3.5Å; R382-C434 PolarHBondContact NH1-OXT 2.8Å; P383-C434 PolarHBondContact O-SG 2.83Å |
Retrieved 434 of 434 residues in 124.4 ms
(Link to these results)