A0A087X853_POEFO Loading...

AP-3 complex subunit mu-2

AlphaFold DB (A0A3B3VXY9), UniProt , Accession A0A087X853, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 418 aa.

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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
1M88.8Confident94.9Very high30 Ų3020.2 Ų20.215%0.14814%0.14CC..  01690-66.9-42.4-67.800110.3H3 S72 V74 F78 G120 F121M1-H3 PolarHBondContact O-CD2 3.23Å; M1-H3 VanDerWaalsContact O-CD2 3.23Å; M1-H3 PolarHBondContact O-N 3Å; M1-S72 PolarHBondContact N-OG 2.83Å; M1-V74 HydrophobicContact SD-CG1 3.96Å; M1-F78 HydrophobicContact CE-CE1 3.54Å; M1-F78 HydrophobicContact CE-CZ 3.75Å; M1-G120 WeakPolarHBondContact CB-O 3.4Å; M1-G120 WeakPolarHBondContact CE-O 3.48Å; M1-F121 HydrophobicContact CB-CE2 4.43Å; M1-F121 HydrophobicContact CB-CZ 4.46Å; M1-F121 HydrophobicContact CE-CB 4.3Å; M1-F121 HydrophobicContact CE-CD1 3.32Å; M1-F121 HydrophobicContact CE-CE1 3.72Å; M1-F121 HydrophobicContact CE-CG 3.82Å; M1-F121 HydrophobicContact CG-CD1 3.93Å; M1-F121 HydrophobicContact CG-CD2 4.21Å; M1-F121 HydrophobicContact CG-CE1 3.44Å; M1-F121 VanDerWaalsContact CG-CE1 3.44Å; M1-F121 HydrophobicContact CG-CE2 3.76Å; M1-F121 HydrophobicContact CG-CG 4.29Å; M1-F121 HydrophobicContact CG-CZ 3.37Å; M1-F121 HydrophobicContact SD-CD1 3.92Å; M1-F121 HydrophobicContact SD-CE1 3.64Å; M1-F121 HydrophobicContact SD-CZ 4.2Å
2I95.5Very high94.5Very high1 Ų120.2 Ų20.21%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-74.3121.9-173.6-57.8172.5000110W20 A68 I70 V79 F82 L117 G120I2-W20 HydrophobicContact CG2-CE3 4.35Å; I2-W20 HydrophobicContact CG2-CZ3 4.11Å; I2-A68 HydrophobicContact CG2-CB 4.31Å; I2-I70 HydrophobicContact CG1-CG2 4.31Å; I2-V79 HydrophobicContact CD1-CG1 4.08Å; I2-V79 HydrophobicContact CD1-CG2 4.38Å; I2-V79 HydrophobicContact CG1-CG1 4.21Å; I2-V79 HydrophobicContact CG1-CG2 4.14Å; I2-F82 HydrophobicContact CD1-CB 4.35Å; I2-F82 HydrophobicContact CD1-CD1 3.43Å; I2-F82 VanDerWaalsContact CD1-CD1 3.43Å; I2-F82 HydrophobicContact CD1-CE1 3.95Å; I2-F82 HydrophobicContact CD1-CG 3.99Å; I2-L117 HydrophobicContact CB-CD2 3.87Å; I2-L117 HydrophobicContact CD1-CD1 4.16Å; I2-L117 HydrophobicContact CD1-CD2 4.37Å; I2-L117 HydrophobicContact CG2-CD2 3.79Å; I2-G120 PolarHBondContact N-O 3.11Å; I2-G120 VanDerWaalsContact N-O 3.17Å; I2-G120 WeakPolarHBondContact O-CA 3.27Å
3H96.1Very high94.5Very high9 Ų925.8 Ų25.84%0.04217%0.173CC..EExtended strand (participates in β ladder)trans-93.1-42.1-180-79.4-138.9000111.4M1 W20 V24 V69 Q71M1-H3 PolarHBondContact O-CD2 3.23Å; M1-H3 VanDerWaalsContact O-CD2 3.23Å; M1-H3 PolarHBondContact O-N 3Å; H3-W20 PolarHBondContact O-N 3.04Å; H3-V24 HydrophobicContact CB-CG2 4.2Å; H3-V69 PolarHBondContact N-O 2.93Å; H3-Q71 PolarHBondContact CE1-OE1 3.36Å
4S97.4Very high94.8Very high0 Ų025.9 Ų25.90%017%0.17CC..EExtended strand (participates in β ladder)trans-152.1156.9-173.5-53.50000111.5K18 H19 V24 A68 V69S4-K18 CarbonylContact C-O 3.6Å; S4-K18 WeakPolarHBondContact CA-O 3.47Å; S4-H19 WeakPolarHBondContact CB-ND1 3.41Å; S4-H19 PolarHBondContact OG-ND1 2.94Å; S4-V24 WeakPolarHBondContact OG-CB 2.95Å; S4-V24 WeakPolarHBondContact OG-CG2 3.13Å; S4-A68 CarbonylContact O-C 3.54Å; S4-A68 WeakPolarHBondContact O-CA 3.45Å; S4-V69 PolarHBondContact N-O 2.86Å; S4-V69 PolarHBondContact O-N 3.23Å
5L98.2Very high94.9Very high1 Ų126.5 Ų26.51%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-128.8128.3174.1172.363.6000108L7 E17 K18 W20 F66 V67 L83 V86 L113L5-L7 HydrophobicContact CD1-CD1 4.03Å; L5-L7 HydrophobicContact CD2-CD1 3.87Å; L5-L7 HydrophobicContact CG-CD1 3.68Å; L5-E17 CarbonylContact O-C 3.59Å; L5-E17 VanDerWaalsContact O-CA 3.28Å; L5-E17 WeakPolarHBondContact O-CA 3.41Å; L5-K18 PolarHBondContact N-O 2.79Å; L5-K18 PolarHBondContact O-N 3.49Å; L5-W20 HydrophobicContact CB-CH2 3.47Å; L5-W20 VanDerWaalsContact CB-CH2 3.47Å; L5-W20 HydrophobicContact CB-CZ3 3.46Å; L5-W20 VanDerWaalsContact CB-CZ3 3.46Å; L5-W20 HydrophobicContact CD2-CH2 4.03Å; L5-W20 HydrophobicContact CG-CH2 4.41Å; L5-F66 HydrophobicContact CD1-CB 4.24Å; L5-V67 WeakPolarHBondContact CA-O 3.48Å; L5-L83 HydrophobicContact CD1-CD2 3.59Å; L5-V86 HydrophobicContact CD2-CG1 4.46Å; L5-L113 HydrophobicContact CD2-CD1 4.29Å; L5-L113 HydrophobicContact CD2-CD2 3.79Å
6F98.5Very high95.1Very high0 Ų025.3 Ų25.30%016%0.161CC..EExtended strand (participates in β ladder)trans-115.1136.4172.3-60.5-85.3000109.3I14 E17 H19 V24 R26 V28 V67 V69F6-I14 HydrophobicContact CB-CG2 4.35Å; F6-I14 HydrophobicContact CD1-CD1 4.45Å; F6-I14 HydrophobicContact CD1-CG2 3.85Å; F6-E17 HydrophobicContact CD1-CB 3.53Å; F6-E17 HydrophobicContact CE1-CB 3.71Å; F6-E17 VanDerWaalsContact CE1-OE2 3.3Å; F6-E17 WeakPolarHBondContact CE1-OE2 3.45Å; F6-H19 AromaticContact CZ-CE1 3.82Å; F6-V24 HydrophobicContact CE2-CG1 4.46Å; F6-V24 HydrophobicContact CZ-CB 4.44Å; F6-V24 HydrophobicContact CZ-CG1 4.43Å; F6-R26 HydrophobicContact CE1-CG 4.1Å; F6-V28 HydrophobicContact CE2-CG1 4.08Å; F6-V28 HydrophobicContact CZ-CG1 4.48Å; F6-V67 HydrophobicContact CB-CB 4.44Å; F6-V67 PolarHBondContact N-O 3.03Å; F6-V67 PolarHBondContact O-N 3.31Å; F6-V69 HydrophobicContact CD2-CG2 3.8Å; F6-V69 HydrophobicContact CE2-CG2 3.53Å
7L98.4Very high95.2Very high0 Ų026.6 Ų26.60%017%0.165CC..EExtended strand (participates in β ladder)trans-107123.7170.7-85.461.2000109.1L5 I14 F15 L16 I64 Y65 F66 F90 I102L5-L7 HydrophobicContact CD1-CD1 4.03Å; L5-L7 HydrophobicContact CD2-CD1 3.87Å; L5-L7 HydrophobicContact CG-CD1 3.68Å; L7-I14 WeakPolarHBondContact O-CA 3.18Å; L7-F15 HydrophobicContact CB-CD1 4.43Å; L7-F15 HydrophobicContact CB-CE1 3.82Å; L7-F15 HydrophobicContact CB-CE2 4.17Å; L7-F15 HydrophobicContact CB-CZ 3.68Å; L7-F15 HydrophobicContact CD2-CE2 4.16Å; L7-F15 HydrophobicContact CD2-CZ 3.92Å; L7-F15 HydrophobicContact CG-CZ 4.36Å; L7-F15 WeakPolarHBondContact O-CD1 3.49Å; L7-F15 PolarHBondContact O-N 2.95Å; L7-F15 VanDerWaalsContact O-N 3.09Å; L7-L16 HydrophobicContact CB-CB 4.2Å; L7-L16 HydrophobicContact CD1-CD2 4.16Å; L7-L16 HydrophobicContact CD2-CB 4.48Å; L7-L16 HydrophobicContact CD2-CD2 4.42Å; L7-L16 PolarHBondContact N-O 2.94Å; L7-I64 HydrophobicContact CB-CG2 4.28Å; L7-I64 HydrophobicContact CG-CG2 4.28Å; L7-Y65 WeakPolarHBondContact CA-O 3.48Å; L7-F66 HydrophobicContact CD1-CD1 3.74Å; L7-F66 HydrophobicContact CD1-CE1 4.03Å; L7-F66 HydrophobicContact CD1-CG 4.47Å; L7-F66 HydrophobicContact CD2-CD1 4.34Å; L7-F66 HydrophobicContact CD2-CE1 3.81Å; L7-F66 HydrophobicContact CD2-CZ 4.18Å; L7-F66 HydrophobicContact CG-CD1 3.9Å; L7-F66 HydrophobicContact CG-CE1 3.86Å; L7-F66 HydrophobicContact CG-CG 4.43Å; L7-F66 HydrophobicContact CG-CZ 4.34Å; L7-F90 HydrophobicContact CD2-CE2 4.28Å; L7-I102 HydrophobicContact CD2-CD1 3.74Å; L7-I102 HydrophobicContact CD2-CG2 4.29Å
8I97.9Very high95.3Very high0 Ų026.5 Ų26.50%016%0.162CC..EExtended strand (participates in β ladder)trans-120.6126.5-173.1-47.3-176.3000108.7D13 I14 F32 F33 I64 Y65 V67I8-D13 WeakPolarHBondContact CA-O 3.27Å; I8-I14 HydrophobicContact CD1-CG1 4.42Å; I8-I14 HydrophobicContact CG1-CG1 4.17Å; I8-F32 HydrophobicContact CD1-CD1 3.71Å; I8-F32 HydrophobicContact CD1-CE1 3.92Å; I8-F32 HydrophobicContact CD1-CG 4.47Å; I8-F33 HydrophobicContact CD1-CE1 4.04Å; I8-F33 HydrophobicContact CD1-CZ 4.06Å; I8-F33 HydrophobicContact CG2-CE1 3.71Å; I8-F33 HydrophobicContact CG2-CZ 4.21Å; I8-I64 WeakPolarHBondContact O-CA 3.29Å; I8-Y65 PolarHBondContact N-O 3.16Å; I8-Y65 PolarHBondContact O-N 2.82Å; I8-V67 HydrophobicContact CD1-CG2 3.76Å; I8-V67 HydrophobicContact CG1-CG2 4.26Å
9N94.3Very high95.4Very high9 Ų927.4 Ų27.45%0.04816%0.164CC..  trans-79.8177.3178.272.312000112S11 G12 D13 F15 E99N9-S11 PolarHBondContact O-N 3.29Å; N9-S11 WeakPolarHBondContact OD1-CA 3.44Å; N9-S11 WeakPolarHBondContact OD1-CB 3.38Å; N9-S11 PolarHBondContact OD1-N 3.05Å; N9-G12 PolarHBondContact O-N 3.14Å; N9-G12 VanDerWaalsContact O-N 3.12Å; N9-G12 PolarHBondContact OD1-N 3.32Å; N9-G12 VanDerWaalsContact OD1-N 3.13Å; N9-D13 PolarHBondContact N-O 3.28Å; N9-D13 PolarHBondContact ND2-OD2 2.78Å; N9-D13 PolarHBondContact OD1-N 3.44Å; N9-F15 HydrophobicContact CB-CD1 4.02Å; N9-F15 HydrophobicContact CB-CE1 4.2Å; N9-E99 WeakPolarHBondContact CB-OE2 3.47Å; N9-E99 PolarHBondContact ND2-OE2 3.24Å; N9-E99 VanDerWaalsContact ND2-OE2 3.1Å
10A88.5Confident95.4Very high72 Ų7227.4 Ų27.460%0.59516%0.16SC*.THydrogen-bonded Turntrans-64.9-19179.400000114.1G12A10-G12 VanDerWaalsContact C-N 3.34Å
11S90.1Very high95.2Very high100 Ų10030.8 Ų30.870%0.69917%0.174SC*.THydrogen-bonded Turntrans-84.3-8.3176.7-51.70000113.1N9N9-S11 PolarHBondContact O-N 3.29Å; N9-S11 WeakPolarHBondContact OD1-CA 3.44Å; N9-S11 WeakPolarHBondContact OD1-CB 3.38Å; N9-S11 PolarHBondContact OD1-N 3.05Å
12G90.5Very high95.2Very high20 Ų2032.1 Ų32.121%0.20619%0.185CC..SBendtrans90.67.6-174.100000114.3N9 A10 F33N9-G12 PolarHBondContact O-N 3.14Å; N9-G12 VanDerWaalsContact O-N 3.12Å; N9-G12 PolarHBondContact OD1-N 3.32Å; N9-G12 VanDerWaalsContact OD1-N 3.13Å; A10-G12 VanDerWaalsContact C-N 3.34Å; G12-F33 WeakPolarHBondContact O-CE1 3.48Å; G12-F33 VanDerWaalsContact O-CZ 3.24Å; G12-F33 WeakPolarHBondContact O-CZ 3.45Å
13D94.8Very high95.1Very high94 Ų9437.9 Ų37.950%0.50322%0.221SC..  trans-83.1127.7179-54-52.2000111.3I8 N9 F15I8-D13 WeakPolarHBondContact CA-O 3.27Å; N9-D13 PolarHBondContact N-O 3.28Å; N9-D13 PolarHBondContact ND2-OD2 2.78Å; N9-D13 PolarHBondContact OD1-N 3.44Å; D13-F15 PolarHBondContact O-N 2.85Å
14I97.7Very high95Very high26 Ų2637.9 Ų37.913%0.13322%0.221CC..EExtended strand (participates in β ladder)trans-76.5102.4166.5-55.5174.7000108F6 L7 I8 R26 C29 F33F6-I14 HydrophobicContact CB-CG2 4.35Å; F6-I14 HydrophobicContact CD1-CD1 4.45Å; F6-I14 HydrophobicContact CD1-CG2 3.85Å; L7-I14 WeakPolarHBondContact O-CA 3.18Å; I8-I14 HydrophobicContact CD1-CG1 4.42Å; I8-I14 HydrophobicContact CG1-CG1 4.17Å; I14-R26 HydrophobicContact CD1-CB 4.11Å; I14-R26 HydrophobicContact CD1-CG 4.14Å; I14-C29 HydrophobicContact CD1-CB 3.93Å; I14-F33 HydrophobicContact CD1-CE2 4.37Å; I14-F33 HydrophobicContact CD1-CZ 4.26Å; I14-F33 HydrophobicContact CG1-CZ 4.01Å
15F97.1Very high95Very high35 Ų3541.5 Ų41.515%0.15425%0.246CC..EExtended strand (participates in β ladder)trans-100.4-12.8-176.171.9-93.3000114.1L7 N9 D13 I64 E99 I102 K103L7-F15 HydrophobicContact CB-CD1 4.43Å; L7-F15 HydrophobicContact CB-CE1 3.82Å; L7-F15 HydrophobicContact CB-CE2 4.17Å; L7-F15 HydrophobicContact CB-CZ 3.68Å; L7-F15 HydrophobicContact CD2-CE2 4.16Å; L7-F15 HydrophobicContact CD2-CZ 3.92Å; L7-F15 HydrophobicContact CG-CZ 4.36Å; L7-F15 WeakPolarHBondContact O-CD1 3.49Å; L7-F15 PolarHBondContact O-N 2.95Å; L7-F15 VanDerWaalsContact O-N 3.09Å; N9-F15 HydrophobicContact CB-CD1 4.02Å; N9-F15 HydrophobicContact CB-CE1 4.2Å; D13-F15 PolarHBondContact O-N 2.85Å; F15-I64 HydrophobicContact CE1-CG2 3.94Å; F15-I64 HydrophobicContact CZ-CD1 4.26Å; F15-I64 HydrophobicContact CZ-CG2 4.04Å; F15-E99 HydrophobicContact CD1-CG 4.06Å; F15-E99 HydrophobicContact CD2-CG 3.96Å; F15-E99 HydrophobicContact CE1-CG 4.09Å; F15-E99 HydrophobicContact CE2-CG 4Å; F15-E99 HydrophobicContact CG-CG 3.98Å; F15-E99 HydrophobicContact CZ-CB 4.34Å; F15-E99 HydrophobicContact CZ-CG 4.05Å; F15-I102 HydrophobicContact CE2-CB 4.2Å; F15-I102 HydrophobicContact CE2-CD1 4.35Å; F15-I102 HydrophobicContact CE2-CG2 3.9Å; F15-I102 HydrophobicContact CZ-CD1 4.21Å; F15-K103 HydrophobicContact CD2-CG 4.28Å
16L97.9Very high94.9Very high7 Ų747.3 Ų47.34%0.03727%0.268CS..EExtended strand (participates in β ladder)trans-149141.7173.3-175.4150.2000110.1L7 I102 V106 V109 L113L7-L16 HydrophobicContact CB-CB 4.2Å; L7-L16 HydrophobicContact CD1-CD2 4.16Å; L7-L16 HydrophobicContact CD2-CB 4.48Å; L7-L16 HydrophobicContact CD2-CD2 4.42Å; L7-L16 PolarHBondContact N-O 2.94Å; L16-I102 HydrophobicContact CD1-CG2 3.86Å; L16-V106 HydrophobicContact CD1-CG2 4.32Å; L16-V109 HydrophobicContact CD1-CG1 3.64Å; L16-L113 HydrophobicContact CD2-CD1 4.14Å
17E97.4Very high94.8Very high48 Ų4850.3 Ų50.322%0.22429%0.289CS..EExtended strand (participates in β ladder)trans-140.1141.9173.371.3-162.8160.400110.8L5 F6 R26 Y110L5-E17 CarbonylContact O-C 3.59Å; L5-E17 VanDerWaalsContact O-CA 3.28Å; L5-E17 WeakPolarHBondContact O-CA 3.41Å; F6-E17 HydrophobicContact CD1-CB 3.53Å; F6-E17 HydrophobicContact CE1-CB 3.71Å; F6-E17 VanDerWaalsContact CE1-OE2 3.3Å; F6-E17 WeakPolarHBondContact CE1-OE2 3.45Å; E17-R26 VanDerWaalsContact CD-NH2 3.27Å; E17-R26 IonicContact OE1-CZ 2.7Å; E17-R26 IonicContact OE1-NE 3.33Å; E17-R26 PolarHBondContact OE1-NE 3.41Å; E17-R26 IonicContact OE1-NH2 2.68Å; E17-R26 PolarHBondContact OE1-NH2 2.66Å; E17-R26 WeakPolarHBondContact OE2-CG 3.27Å; E17-R26 IonicContact OE2-CZ 3.49Å; E17-R26 IonicContact OE2-NE 2.76Å; E17-R26 PolarHBondContact OE2-NE 3.22Å; E17-R26 IonicContact OE2-NH2 2.63Å; E17-R26 PolarHBondContact OE2-NH2 3.06Å; E17-Y110 WeakPolarHBondContact O-CE1 3.41Å; E17-Y110 PolarHBondContact O-OH 2.81Å
18K97.3Very high94.7Very high25 Ų2550.7 Ų50.711%0.10929%0.292CS..EExtended strand (participates in β ladder)trans-132.4133.2172.3178.757.316871.50109.6S4 L5 W20 Y110 L113 E114S4-K18 CarbonylContact C-O 3.6Å; S4-K18 WeakPolarHBondContact CA-O 3.47Å; L5-K18 PolarHBondContact N-O 2.79Å; L5-K18 PolarHBondContact O-N 3.49Å; K18-W20 HydrophobicContact CB-CH2 4.08Å; K18-W20 HydrophobicContact CB-CZ2 4.19Å; K18-W20 HydrophobicContact CB-CZ3 4.36Å; K18-W20 HydrophobicContact CG-CD2 3.92Å; K18-W20 HydrophobicContact CG-CE3 4.24Å; K18-W20 HydrophobicContact CG-CH2 3.9Å; K18-W20 HydrophobicContact CG-CZ2 3.54Å; K18-W20 HydrophobicContact CG-CZ3 4.24Å; K18-W20 VanDerWaalsContact NZ-CD1 3.3Å; K18-Y110 HydrophobicContact CB-CE1 4.23Å; K18-Y110 HydrophobicContact CD-CD1 3.96Å; K18-Y110 HydrophobicContact CD-CE1 4.11Å; K18-L113 HydrophobicContact CB-CD1 4.08Å; K18-L113 HydrophobicContact CG-CB 4.37Å; K18-L113 HydrophobicContact CG-CD1 4.47Å; K18-E114 WeakPolarHBondContact CE-OE2 3.45Å; K18-E114 IonicContact NZ-OE2 2.77Å; K18-E114 PolarHBondContact NZ-OE2 3.47Å
19H97.1Very high94.7Very high43 Ų4350.7 Ų50.720%0.19929%0.292CS..EExtended strand (participates in β ladder)trans-114.3136.9174.6-49.8-71.8000109.6S4 F6 V24S4-H19 WeakPolarHBondContact CB-ND1 3.41Å; S4-H19 PolarHBondContact OG-ND1 2.94Å; F6-H19 AromaticContact CZ-CE1 3.82Å; H19-V24 PolarHBondContact CE1-O 3.42Å; H19-V24 PolarHBondContact ND1-N 3.12Å
20W95.3Very high94.8Very high27 Ų2754.4 Ų54.410%0.10231%0.311CS..SBendtrans-115.7-16.5179.5-67.4-92.2000114.4I2 H3 L5 K18 L113 L117I2-W20 HydrophobicContact CG2-CE3 4.35Å; I2-W20 HydrophobicContact CG2-CZ3 4.11Å; H3-W20 PolarHBondContact O-N 3.04Å; L5-W20 HydrophobicContact CB-CH2 3.47Å; L5-W20 VanDerWaalsContact CB-CH2 3.47Å; L5-W20 HydrophobicContact CB-CZ3 3.46Å; L5-W20 VanDerWaalsContact CB-CZ3 3.46Å; L5-W20 HydrophobicContact CD2-CH2 4.03Å; L5-W20 HydrophobicContact CG-CH2 4.41Å; K18-W20 HydrophobicContact CB-CH2 4.08Å; K18-W20 HydrophobicContact CB-CZ2 4.19Å; K18-W20 HydrophobicContact CB-CZ3 4.36Å; K18-W20 HydrophobicContact CG-CD2 3.92Å; K18-W20 HydrophobicContact CG-CE3 4.24Å; K18-W20 HydrophobicContact CG-CH2 3.9Å; K18-W20 HydrophobicContact CG-CZ2 3.54Å; K18-W20 HydrophobicContact CG-CZ3 4.24Å; K18-W20 VanDerWaalsContact NZ-CD1 3.3Å; W20-L113 HydrophobicContact CZ2-CB 3.96Å; W20-L113 HydrophobicContact CZ2-CD2 4.3Å; W20-L113 WeakPolarHBondContact CZ2-O 3.39Å; W20-L113 PolarHBondContact NE1-O 2.9Å; W20-L117 HydrophobicContact CD2-CD2 3.51Å; W20-L117 HydrophobicContact CD2-CG 4.37Å; W20-L117 HydrophobicContact CE3-CD2 3.61Å; W20-L117 HydrophobicContact CG-CD2 4Å; W20-L117 HydrophobicContact CG-CG 4.49Å; W20-L117 HydrophobicContact CH2-CD2 3.85Å; W20-L117 HydrophobicContact CZ2-CB 4.14Å; W20-L117 HydrophobicContact CZ2-CD2 3.75Å; W20-L117 HydrophobicContact CZ3-CD2 3.77Å; W20-L117 PolarHBondContact NE1-O 2.95Å; W20-L117 VanDerWaalsContact NE1-O 3.12Å
21K90.8Very high95.2Very high100 Ų10055.3 Ų55.344%0.43530%0.3SS..SBendtrans-120.5-62.9-179.4-60.2-16674.9-168.90111.9N119K21-N119 VanDerWaalsContact CE-OD1 3.27Å; K21-N119 WeakPolarHBondContact CE-OD1 3.23Å
22S88.2Confident95.6Very high57 Ų5750.5 Ų50.540%0.39927%0.267SS..SBendtrans-138152.417759.80000108.6V24S22-V24 PolarHBondContact O-N 3.17Å
23V93.6Very high95.9Very high123 Ų12351.7 Ų51.775%0.74527%0.266SS*.  trans-61.9126171.3-179.80000108.3
24V95.1Very high96Very high8 Ų851.8 Ų51.85%0.04826%0.264CS..  trans-107.2128.1175.91760000107.6H3 S4 F6 H19 S22 V28 V69H3-V24 HydrophobicContact CB-CG2 4.2Å; S4-V24 WeakPolarHBondContact OG-CB 2.95Å; S4-V24 WeakPolarHBondContact OG-CG2 3.13Å; F6-V24 HydrophobicContact CE2-CG1 4.46Å; F6-V24 HydrophobicContact CZ-CB 4.44Å; F6-V24 HydrophobicContact CZ-CG1 4.43Å; H19-V24 PolarHBondContact CE1-O 3.42Å; H19-V24 PolarHBondContact ND1-N 3.12Å; S22-V24 PolarHBondContact O-N 3.17Å; V24-V28 HydrophobicContact CG1-CB 4.14Å; V24-V28 HydrophobicContact CG1-CG1 3.71Å; V24-V69 HydrophobicContact CG1-CG1 4.23Å
25S95.9Very high95.9Very high76 Ų7651.3 Ų51.353%0.53126%0.263SS..  trans-60.3137.9177.4177.80000111.3S27 V28S25-S27 PolarHBondContact O-N 2.82Å; S25-S27 VanDerWaalsContact O-N 3.14Å; S25-S27 PolarHBondContact OG-N 3.33Å; S25-S27 PolarHBondContact OG-OG 2.87Å; S25-V28 WeakPolarHBondContact O-CB 3.21Å; S25-V28 VanDerWaalsContact O-CG1 3.29Å; S25-V28 WeakPolarHBondContact O-CG1 3.44Å; S25-V28 PolarHBondContact O-N 2.76Å
26R96.3Very high95.7Very high124 Ų12451.8 Ų51.847%0.46827%0.266SS..G310 helixtrans-58.2-24.2173.6-69.8-175.3-176.5-165.12.9113.5F6 I14 E17 V28 C29F6-R26 HydrophobicContact CE1-CG 4.1Å; I14-R26 HydrophobicContact CD1-CB 4.11Å; I14-R26 HydrophobicContact CD1-CG 4.14Å; E17-R26 VanDerWaalsContact CD-NH2 3.27Å; E17-R26 IonicContact OE1-CZ 2.7Å; E17-R26 IonicContact OE1-NE 3.33Å; E17-R26 PolarHBondContact OE1-NE 3.41Å; E17-R26 IonicContact OE1-NH2 2.68Å; E17-R26 PolarHBondContact OE1-NH2 2.66Å; E17-R26 WeakPolarHBondContact OE2-CG 3.27Å; E17-R26 IonicContact OE2-CZ 3.49Å; E17-R26 IonicContact OE2-NE 2.76Å; E17-R26 PolarHBondContact OE2-NE 3.22Å; E17-R26 IonicContact OE2-NH2 2.63Å; E17-R26 PolarHBondContact OE2-NH2 3.06Å; R26-V28 PolarHBondContact O-N 3.04Å; R26-C29 VanDerWaalsContact O-CB 3.27Å; R26-C29 WeakPolarHBondContact O-CB 3.34Å; R26-C29 PolarHBondContact O-N 2.77Å
27S96.3Very high95.6Very high62 Ų6259.5 Ų59.543%0.43430%0.302SS..G310 helixtrans-60.1-16.6174.964.90000113.3S25 C29 D30S25-S27 PolarHBondContact O-N 2.82Å; S25-S27 VanDerWaalsContact O-N 3.14Å; S25-S27 PolarHBondContact OG-N 3.33Å; S25-S27 PolarHBondContact OG-OG 2.87Å; S27-C29 PolarHBondContact O-N 3.35Å; S27-D30 WeakPolarHBondContact CA-OD2 3.37Å; S27-D30 WeakPolarHBondContact O-CB 3.3Å; S27-D30 VanDerWaalsContact O-CG 3.24Å; S27-D30 PolarHBondContact O-N 3.26Å
28V96.6Very high95.4Very high9 Ų966.9 Ų66.96%0.05533%0.328CS..G310 helixtrans-63.1-28.2170.581.40000111.7F6 V24 S25 R26 D30 Y31 H54 L56 V69F6-V28 HydrophobicContact CE2-CG1 4.08Å; F6-V28 HydrophobicContact CZ-CG1 4.48Å; V24-V28 HydrophobicContact CG1-CB 4.14Å; V24-V28 HydrophobicContact CG1-CG1 3.71Å; S25-V28 WeakPolarHBondContact O-CB 3.21Å; S25-V28 VanDerWaalsContact O-CG1 3.29Å; S25-V28 WeakPolarHBondContact O-CG1 3.44Å; S25-V28 PolarHBondContact O-N 2.76Å; R26-V28 PolarHBondContact O-N 3.04Å; V28-D30 PolarHBondContact O-N 2.85Å; V28-Y31 WeakPolarHBondContact O-CD2 3.46Å; V28-H54 HydrophobicContact CG2-CB 4.2Å; V28-L56 HydrophobicContact CG1-CD2 4.25Å; V28-L56 HydrophobicContact CG2-CD2 3.98Å; V28-L56 WeakPolarHBondContact O-CD1 3.36Å; V28-V69 HydrophobicContact CG1-CG2 4.07Å
29C97.3Very high95.2Very high0 Ų066.9 Ų66.90%033%0.332CS..G310 helixtrans-74.8-11.5178-650000113I14 R26 S27 Y31 F32 F33I14-C29 HydrophobicContact CD1-CB 3.93Å; R26-C29 VanDerWaalsContact O-CB 3.27Å; R26-C29 WeakPolarHBondContact O-CB 3.34Å; R26-C29 PolarHBondContact O-N 2.77Å; S27-C29 PolarHBondContact O-N 3.35Å; C29-Y31 PolarHBondContact O-N 2.87Å; C29-F32 WeakPolarHBondContact O-CA 3.39Å; C29-F32 VanDerWaalsContact O-CB 3.29Å; C29-F32 WeakPolarHBondContact O-CB 3.15Å; C29-F32 PolarHBondContact O-N 2.63Å; C29-F33 HydrophobicContact CB-CD2 4.26Å; C29-F33 HydrophobicContact CB-CE2 3.72Å; C29-F33 HydrophobicContact CB-CZ 4.27Å; C29-F33 WeakPolarHBondContact O-CD2 3.35Å; C29-F33 PolarHBondContact O-N 2.82Å
30D97.1Very high95Very high86 Ų8670.8 Ų70.846%0.4636%0.359SS..Hα-helixtrans-57.7-38.3176.3-60.8-18.1000111S27 V28 F32 F33 E34S27-D30 WeakPolarHBondContact CA-OD2 3.37Å; S27-D30 WeakPolarHBondContact O-CB 3.3Å; S27-D30 VanDerWaalsContact O-CG 3.24Å; S27-D30 PolarHBondContact O-N 3.26Å; V28-D30 PolarHBondContact O-N 2.85Å; D30-F32 VanDerWaalsContact C-N 3.28Å; D30-F32 PolarHBondContact O-N 2.86Å; D30-F33 PolarHBondContact O-N 2.78Å; D30-E34 WeakPolarHBondContact O-CG 3.29Å; D30-E34 PolarHBondContact O-N 3.5Å
31Y97.5Very high94.9Very high91 Ų9174.9 Ų74.936%0.35738%0.38SS..Hα-helixtrans-63.3-32.9173.3-63.3-87000113.2V28 C29 A35 T51 P52V28-Y31 WeakPolarHBondContact O-CD2 3.46Å; C29-Y31 PolarHBondContact O-N 2.87Å; Y31-A35 PolarHBondContact O-N 2.88Å; Y31-T51 HydrophobicContact CD1-CG2 4.19Å; Y31-T51 HydrophobicContact CD2-CG2 3.65Å; Y31-T51 HydrophobicContact CE2-CG2 4.29Å; Y31-T51 HydrophobicContact CG-CG2 3.61Å; Y31-P52 VanDerWaalsContact CZ-CD 3.48Å; Y31-P52 VanDerWaalsContact OH-CD 3.27Å; Y31-P52 WeakPolarHBondContact OH-CD 3.21Å; Y31-P52 WeakPolarHBondContact OH-CG 3.24Å
32F97.5Very high94.9Very high0 Ų073.9 Ų73.90%038%0.383CS..Hα-helixtrans-71.7-44.2174.7176-88.8000110.7I8 C29 D30 A35 Q36 V45 I49 L56 Y65 V67I8-F32 HydrophobicContact CD1-CD1 3.71Å; I8-F32 HydrophobicContact CD1-CE1 3.92Å; I8-F32 HydrophobicContact CD1-CG 4.47Å; C29-F32 WeakPolarHBondContact O-CA 3.39Å; C29-F32 VanDerWaalsContact O-CB 3.29Å; C29-F32 WeakPolarHBondContact O-CB 3.15Å; C29-F32 PolarHBondContact O-N 2.63Å; D30-F32 VanDerWaalsContact C-N 3.28Å; D30-F32 PolarHBondContact O-N 2.86Å; F32-A35 WeakPolarHBondContact O-CB 3.42Å; F32-A35 PolarHBondContact O-N 3.29Å; F32-A35 VanDerWaalsContact O-N 3.16Å; F32-Q36 HydrophobicContact CE1-CB 4.49Å; F32-Q36 WeakPolarHBondContact O-CB 2.91Å; F32-Q36 PolarHBondContact O-N 2.88Å; F32-V45 HydrophobicContact CD2-CG1 4.41Å; F32-V45 HydrophobicContact CE2-CG1 3.8Å; F32-V45 HydrophobicContact CZ-CG1 4.2Å; F32-I49 HydrophobicContact CB-CD1 4.4Å; F32-I49 HydrophobicContact CD2-CD1 3.91Å; F32-L56 HydrophobicContact CB-CD1 3.8Å; F32-Y65 HydrophobicContact CE1-CD2 4.09Å; F32-Y65 HydrophobicContact CE1-CE2 4.47Å; F32-Y65 HydrophobicContact CE1-CG 4.11Å; F32-Y65 HydrophobicContact CE2-CD1 4.05Å; F32-Y65 HydrophobicContact CE2-CE1 4.41Å; F32-Y65 HydrophobicContact CE2-CG 4.34Å; F32-Y65 AromaticContact CZ-CD1 3.47Å; F32-Y65 HydrophobicContact CZ-CD1 3.47Å; F32-Y65 VanDerWaalsContact CZ-CD1 3.47Å; F32-Y65 AromaticContact CZ-CD2 3.77Å; F32-Y65 HydrophobicContact CZ-CD2 3.77Å; F32-Y65 AromaticContact CZ-CE1 3.8Å; F32-Y65 HydrophobicContact CZ-CE1 3.8Å; F32-Y65 HydrophobicContact CZ-CE2 4.08Å; F32-Y65 AromaticContact CZ-CG 3.43Å; F32-Y65 HydrophobicContact CZ-CG 3.43Å; F32-Y65 VanDerWaalsContact CZ-CG 3.43Å; F32-V67 HydrophobicContact CD2-CG1 4.46Å; F32-V67 HydrophobicContact CD2-CG2 4.02Å; F32-V67 HydrophobicContact CE1-CG2 4.49Å; F32-V67 HydrophobicContact CE2-CG2 3.98Å; F32-V67 HydrophobicContact CG-CG2 4.32Å; F32-V67 HydrophobicContact CZ-CG2 4.24Å
33F97.2Very high95.1Very high44 Ų4478.8 Ų78.819%0.19340%0.4CS..Hα-helixtrans-62.7-41.9177.2-62.3-52.7000112.1I8 G12 I14 C29 D30 A35 Q36 E37I8-F33 HydrophobicContact CD1-CE1 4.04Å; I8-F33 HydrophobicContact CD1-CZ 4.06Å; I8-F33 HydrophobicContact CG2-CE1 3.71Å; I8-F33 HydrophobicContact CG2-CZ 4.21Å; G12-F33 WeakPolarHBondContact O-CE1 3.48Å; G12-F33 VanDerWaalsContact O-CZ 3.24Å; G12-F33 WeakPolarHBondContact O-CZ 3.45Å; I14-F33 HydrophobicContact CD1-CE2 4.37Å; I14-F33 HydrophobicContact CD1-CZ 4.26Å; I14-F33 HydrophobicContact CG1-CZ 4.01Å; C29-F33 HydrophobicContact CB-CD2 4.26Å; C29-F33 HydrophobicContact CB-CE2 3.72Å; C29-F33 HydrophobicContact CB-CZ 4.27Å; C29-F33 WeakPolarHBondContact O-CD2 3.35Å; C29-F33 PolarHBondContact O-N 2.82Å; D30-F33 PolarHBondContact O-N 2.78Å; F33-A35 VanDerWaalsContact C-N 3.29Å; F33-A35 PolarHBondContact O-N 3.35Å; F33-Q36 WeakPolarHBondContact O-CB 3.47Å; F33-Q36 PolarHBondContact O-N 3.01Å; F33-Q36 VanDerWaalsContact O-N 3.12Å; F33-E37 WeakPolarHBondContact O-CG 3.42Å; F33-E37 PolarHBondContact O-N 3.49Å
34E96.3Very high95.1Very high97 Ų9776.9 Ų76.945%0.45339%0.385SS..Hα-helixtrans-59.3-39.2172.7-75.9-174.6-170.800112.5D30 R38D30-E34 WeakPolarHBondContact O-CG 3.29Å; D30-E34 PolarHBondContact O-N 3.5Å; E34-R38 VanDerWaalsContact O-CG 3.31Å; E34-R38 WeakPolarHBondContact O-CG 3.34Å; E34-R38 PolarHBondContact O-N 3.47Å
35A95.6Very high95.1Very high15 Ų1577 Ų7712%0.12439%0.386CS..Hα-helixtrans-70-36176.200000111.8Y31 F32 F33 R38 A39 V45 I49Y31-A35 PolarHBondContact O-N 2.88Å; F32-A35 WeakPolarHBondContact O-CB 3.42Å; F32-A35 PolarHBondContact O-N 3.29Å; F32-A35 VanDerWaalsContact O-N 3.16Å; F33-A35 VanDerWaalsContact C-N 3.29Å; F33-A35 PolarHBondContact O-N 3.35Å; A35-R38 PolarHBondContact O-N 3.39Å; A35-A39 PolarHBondContact O-N 3.3Å; A35-V45 HydrophobicContact CB-CG1 4.35Å; A35-I49 HydrophobicContact CB-CD1 3.5Å; A35-I49 VanDerWaalsContact CB-CD1 3.5Å; A35-I49 HydrophobicContact CB-CG1 4.34Å
36Q94.4Very high95.1Very high46 Ų4676.5 Ų76.522%0.21538%0.381CS..Hα-helixtrans-63.9-44.3175.4-170.9-178.915.700111.9F32 F33 R38 A39 V45F32-Q36 HydrophobicContact CE1-CB 4.49Å; F32-Q36 WeakPolarHBondContact O-CB 2.91Å; F32-Q36 PolarHBondContact O-N 2.88Å; F33-Q36 WeakPolarHBondContact O-CB 3.47Å; F33-Q36 PolarHBondContact O-N 3.01Å; F33-Q36 VanDerWaalsContact O-N 3.12Å; Q36-R38 VanDerWaalsContact C-N 3.26Å; Q36-R38 PolarHBondContact O-N 2.93Å; Q36-A39 PolarHBondContact O-N 2.84Å; Q36-V45 HydrophobicContact CB-CG2 4.27Å; Q36-V45 HydrophobicContact CG-CG2 4.26Å
37E94.3Very high95.1Very high168 Ų16874.1 Ų74.179%0.78538%0.382SS*.Hα-helixtrans-63.2-30.9177.5-73.4-179.9176.700113.1F33F33-E37 WeakPolarHBondContact O-CG 3.42Å; F33-E37 PolarHBondContact O-N 3.49Å
38R94.8Very high95.1Very high204 Ų20473.8 Ų73.877%0.7738%0.377SS*.Hα-helixtrans-79.8-19.9177.7-68175.9-164.3-1498.5113.3E34 A35 Q36E34-R38 VanDerWaalsContact O-CG 3.31Å; E34-R38 WeakPolarHBondContact O-CG 3.34Å; E34-R38 PolarHBondContact O-N 3.47Å; A35-R38 PolarHBondContact O-N 3.39Å; Q36-R38 VanDerWaalsContact C-N 3.26Å; Q36-R38 PolarHBondContact O-N 2.93Å
39A93.3Very high95.1Very high24 Ų2474.1 Ų74.120%0.19838%0.378CS..  trans-78.5134.3-176.900000110.8A35 Q36 E41 N44 V45A35-A39 PolarHBondContact O-N 3.3Å; Q36-A39 PolarHBondContact O-N 2.84Å; A39-E41 VanDerWaalsContact C-N 3.31Å; A39-N44 HydrophobicContact CB-CB 4.19Å; A39-V45 HydrophobicContact CB-CG2 3.66Å
40T92.2Very high95Very high126 Ų12678.5 Ų78.577%0.77341%0.407SS*.SBendtrans-69.5-31.6176.747.40000112.7N44T40-N44 PolarHBondContact OG1-ND2 3.26Å
41E92Very high94.9Very high113 Ų11375.4 Ų75.453%0.52839%0.391SS..SBendtrans-137153.4178.1-60.3-179.9161.400108.7A39 E43 N44A39-E41 VanDerWaalsContact C-N 3.31Å; E41-E43 PolarHBondContact O-N 3.2Å; E41-E43 VanDerWaalsContact O-N 3.07Å; E41-N44 WeakPolarHBondContact O-CB 3.38Å; E41-N44 PolarHBondContact O-N 2.95Å
42P91.6Very high94.8Very high78 Ų7875.1 Ų75.151%0.50640%0.4SS..G310 helixtrans-54-31.3179.1-29.437.2000114.3N44 V45 L60 Y65P42-N44 VanDerWaalsContact C-N 3.27Å; P42-N44 PolarHBondContact O-N 3.08Å; P42-V45 WeakPolarHBondContact O-CG2 3.45Å; P42-L60 HydrophobicContact CB-CD2 3.57Å; P42-Y65 VanDerWaalsContact C-OH 3.22Å; P42-Y65 WeakPolarHBondContact CA-OH 3.38Å; P42-Y65 VanDerWaalsContact CB-OH 3.27Å; P42-Y65 WeakPolarHBondContact CB-OH 3.29Å; P42-Y65 PolarHBondContact O-OH 3.25Å
43E92.3Very high94.6Very high161 Ų16182.1 Ų82.175%0.75243%0.433SS*.G310 helixtrans-74.7-17.6-179.6-62.3173.5-165.800112.9E41 V45 L60E41-E43 PolarHBondContact O-N 3.2Å; E41-E43 VanDerWaalsContact O-N 3.07Å; E43-V45 VanDerWaalsContact C-N 3.33Å; E43-L60 HydrophobicContact CG-CD2 4.15Å
44N93.5Very high94.5Very high83 Ų8381.8 Ų81.844%0.44443%0.431SS..G310 helixtrans-87.8-1-179.2-64.2-32000113A39 T40 E41 P42 P46A39-N44 HydrophobicContact CB-CB 4.19Å; T40-N44 PolarHBondContact OG1-ND2 3.26Å; E41-N44 WeakPolarHBondContact O-CB 3.38Å; E41-N44 PolarHBondContact O-N 2.95Å; P42-N44 VanDerWaalsContact C-N 3.27Å; P42-N44 PolarHBondContact O-N 3.08Å; N44-P46 WeakPolarHBondContact O-CD 3.31Å
45V95.2Very high94.5Very high11 Ų1181.6 Ų81.67%0.06743%0.427CS..SBendtrans-65126.3172.3-178.10000109F32 A35 Q36 A39 P42 E43 I49 Y65F32-V45 HydrophobicContact CD2-CG1 4.41Å; F32-V45 HydrophobicContact CE2-CG1 3.8Å; F32-V45 HydrophobicContact CZ-CG1 4.2Å; A35-V45 HydrophobicContact CB-CG1 4.35Å; Q36-V45 HydrophobicContact CB-CG2 4.27Å; Q36-V45 HydrophobicContact CG-CG2 4.26Å; A39-V45 HydrophobicContact CB-CG2 3.66Å; P42-V45 WeakPolarHBondContact O-CG2 3.45Å; E43-V45 VanDerWaalsContact C-N 3.33Å; V45-I49 HydrophobicContact CG1-CD1 4.5Å; V45-Y65 HydrophobicContact CB-CE1 4.34Å; V45-Y65 HydrophobicContact CG2-CE1 4.38Å; V45-Y65 WeakPolarHBondContact CG2-OH 3.39Å
46P95.9Very high94.6Very high64 Ų6481 Ų8142%0.41642%0.422SS..  trans-56.3128.8178.9-2634.5000111.6N44 V48 I49N44-P46 WeakPolarHBondContact O-CD 3.31Å; P46-V48 PolarHBondContact O-N 3.04Å; P46-I49 HydrophobicContact CB-CG1 4.28Å
47P95.6Very high94.8Very high75 Ų7578.8 Ų78.849%0.48741%0.412SS..SBendtrans-72.3-14.2-176.228.6-35.8000113.3I57 S58P47-I57 CarbonylContact O-C 3.53Å; P47-I57 VanDerWaalsContact O-CA 3.29Å; P47-I57 WeakPolarHBondContact O-CA 3.44Å; P47-S58 PolarHBondContact O-N 3.13Å
48V96.9Very high94.9Very high54 Ų5471.1 Ų71.133%0.32738%0.376SS..EExtended strand (participates in β ladder)trans-132119.8176.2-175.60000108.4P46 L56 I57 P76P46-V48 PolarHBondContact O-N 3.04Å; V48-L56 CarbonylContact C-O 3.56Å; V48-L56 WeakPolarHBondContact CA-O 3.38Å; V48-I57 HydrophobicContact CG1-CG1 4.35Å; V48-I57 HydrophobicContact CG2-CG1 4.33Å; V48-P76 HydrophobicContact CG2-CB 3.97Å; V48-P76 HydrophobicContact CG2-CG 4.48Å
49I97.3Very high95.1Very high17 Ų1761.8 Ų61.89%0.08734%0.342CS..EExtended strand (participates in β ladder)trans-121.7114.9-178.4-59.4167.5000108.6F32 A35 V45 P46 L56F32-I49 HydrophobicContact CB-CD1 4.4Å; F32-I49 HydrophobicContact CD2-CD1 3.91Å; A35-I49 HydrophobicContact CB-CD1 3.5Å; A35-I49 VanDerWaalsContact CB-CD1 3.5Å; A35-I49 HydrophobicContact CB-CG1 4.34Å; V45-I49 HydrophobicContact CG1-CD1 4.5Å; P46-I49 HydrophobicContact CB-CG1 4.28Å; I49-L56 HydrophobicContact CB-CB 4.25Å; I49-L56 PolarHBondContact N-O 2.91Å; I49-L56 PolarHBondContact O-N 3.2Å
50P95.6Very high95.2Very high92 Ų9262.5 Ų62.560%0.59734%0.342SS*.EExtended strand (participates in β ladder)trans-75139.3173.331.2-33.1000110.7Y55P50-Y55 HydrophobicContact CB-CD1 3.95Å; P50-Y55 HydrophobicContact CB-CE1 3.95Å
51T94.9Very high95.3Very high21 Ų2161.6 Ų61.613%0.12933%0.325CS..  trans-124.7171.1171.778.70000108.7Y31 H53 H54 L56Y31-T51 HydrophobicContact CD1-CG2 4.19Å; Y31-T51 HydrophobicContact CD2-CG2 3.65Å; Y31-T51 HydrophobicContact CE2-CG2 4.29Å; Y31-T51 HydrophobicContact CG-CG2 3.61Å; T51-H53 PolarHBondContact O-N 3.22Å; T51-H53 VanDerWaalsContact O-N 3.11Å; T51-H54 CarbonylContact C-O 3.55Å; T51-H54 WeakPolarHBondContact CA-O 3.34Å; T51-H54 WeakPolarHBondContact CB-O 3.28Å; T51-H54 PolarHBondContact N-O 3.48Å; T51-H54 VanDerWaalsContact OG1-C 3.28Å; T51-H54 WeakPolarHBondContact OG1-CA 3.48Å; T51-H54 WeakPolarHBondContact OG1-CB 3.2Å; T51-H54 PolarHBondContact OG1-N 3.32Å; T51-H54 PolarHBondContact OG1-O 2.99Å; T51-L56 HydrophobicContact CG2-CD1 4.18Å; T51-L56 HydrophobicContact CG2-CG 4.02Å
52P94Very high95.3Very high84 Ų8460 Ų6055%0.54532%0.317SS..SBendtrans-56.7-30.3-177.2-28.736.5000115.3Y31Y31-P52 VanDerWaalsContact CZ-CD 3.48Å; Y31-P52 VanDerWaalsContact OH-CD 3.27Å; Y31-P52 WeakPolarHBondContact OH-CD 3.21Å; Y31-P52 WeakPolarHBondContact OH-CG 3.24Å
53H92.8Very high95.4Very high148 Ų14866 Ų6669%0.68533%0.33SS*.SBendtrans-131.3-8.1-173.7-59-44.8000114.4T51 Q71T51-H53 PolarHBondContact O-N 3.22Å; T51-H53 VanDerWaalsContact O-N 3.11Å; H53-Q71 WeakPolarHBondContact O-CG 3.13Å
54H95.4Very high95.6Very high36 Ų3658.6 Ų58.617%0.16730%0.295CS..  trans-140.9166.2-176.7-58.591.9000110.8V28 T51 V69 I70V28-H54 HydrophobicContact CG2-CB 4.2Å; T51-H54 CarbonylContact C-O 3.55Å; T51-H54 WeakPolarHBondContact CA-O 3.34Å; T51-H54 WeakPolarHBondContact CB-O 3.28Å; T51-H54 PolarHBondContact N-O 3.48Å; T51-H54 VanDerWaalsContact OG1-C 3.28Å; T51-H54 WeakPolarHBondContact OG1-CA 3.48Å; T51-H54 WeakPolarHBondContact OG1-CB 3.2Å; T51-H54 PolarHBondContact OG1-N 3.32Å; T51-H54 PolarHBondContact OG1-O 2.99Å; H54-V69 HydrophobicContact CB-CG1 3.77Å; H54-I70 CarbonylContact C-O 3.57Å; H54-I70 VanDerWaalsContact CA-O 3.23Å; H54-I70 WeakPolarHBondContact CA-O 3.28Å; H54-I70 WeakPolarHBondContact CB-O 3.42Å
55Y96.5Very high95.8Very high94 Ų9455 Ų5537%0.36928%0.275SS..EExtended strand (participates in β ladder)trans-116138.7160.9-53.7-97.3000108.8P50 I70P50-Y55 HydrophobicContact CB-CD1 3.95Å; P50-Y55 HydrophobicContact CB-CE1 3.95Å; Y55-I70 HydrophobicContact CD2-CD1 4.27Å; Y55-I70 HydrophobicContact CD2-CG1 4.2Å; Y55-I70 HydrophobicContact CG-CD1 4.37Å; Y55-I70 HydrophobicContact CG-CG1 4.35Å; Y55-I70 PolarHBondContact N-O 3.17Å; Y55-I70 WeakPolarHBondContact O-CG1 3.47Å; Y55-I70 PolarHBondContact O-N 3.05Å
56L98Very high96Very high1 Ų154.4 Ų54.41%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-98.5127.7171-51.5178.7000107.8V28 F32 V48 I49 T51 V67 A68 V69V28-L56 HydrophobicContact CG1-CD2 4.25Å; V28-L56 HydrophobicContact CG2-CD2 3.98Å; V28-L56 WeakPolarHBondContact O-CD1 3.36Å; F32-L56 HydrophobicContact CB-CD1 3.8Å; V48-L56 CarbonylContact C-O 3.56Å; V48-L56 WeakPolarHBondContact CA-O 3.38Å; I49-L56 HydrophobicContact CB-CB 4.25Å; I49-L56 PolarHBondContact N-O 2.91Å; I49-L56 PolarHBondContact O-N 3.2Å; T51-L56 HydrophobicContact CG2-CD1 4.18Å; T51-L56 HydrophobicContact CG2-CG 4.02Å; L56-V67 HydrophobicContact CB-CG1 4.07Å; L56-V67 HydrophobicContact CD2-CG1 4.37Å; L56-A68 WeakPolarHBondContact CA-O 3.31Å; L56-V69 HydrophobicContact CD2-CB 4.36Å; L56-V69 HydrophobicContact CD2-CG1 4.22Å; L56-V69 HydrophobicContact CD2-CG2 3.64Å
57I98.1Very high96.1Very high1 Ų151.4 Ų51.41%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-121.5123.9175.6-59.5178.2000107.3P47 V48 A68 I70 P76 V79 I80P47-I57 CarbonylContact O-C 3.53Å; P47-I57 VanDerWaalsContact O-CA 3.29Å; P47-I57 WeakPolarHBondContact O-CA 3.44Å; V48-I57 HydrophobicContact CG1-CG1 4.35Å; V48-I57 HydrophobicContact CG2-CG1 4.33Å; I57-A68 PolarHBondContact N-O 3.42Å; I57-A68 PolarHBondContact O-N 2.89Å; I57-I70 HydrophobicContact CD1-CD1 3.6Å; I57-I70 HydrophobicContact CD1-CG1 4.3Å; I57-I70 HydrophobicContact CG1-CD1 4.38Å; I57-P76 HydrophobicContact CD1-CB 4.17Å; I57-V79 HydrophobicContact CB-CB 4.42Å; I57-V79 HydrophobicContact CB-CG1 3.93Å; I57-V79 HydrophobicContact CD1-CB 3.83Å; I57-V79 HydrophobicContact CD1-CG1 4.09Å; I57-V79 HydrophobicContact CD1-CG2 3.9Å; I57-V79 HydrophobicContact CG2-CB 4.12Å; I57-V79 HydrophobicContact CG2-CG1 3.92Å; I57-I80 HydrophobicContact CG2-CD1 4.33Å; I57-I80 HydrophobicContact CG2-CG1 3.63Å
58S97.5Very high96.2Very high6 Ų647.8 Ų47.84%0.04223%0.229CC..EExtended strand (participates in β ladder)trans-131.1146.9-170.863.40000114.2P47 F66P47-S58 PolarHBondContact O-N 3.13Å; S58-F66 WeakPolarHBondContact CA-O 3.29Å
59V97.8Very high96.3Very high9 Ų945.2 Ų45.26%0.05521%0.214CC..EExtended strand (participates in β ladder)trans-125.2143.3166.5-58.40000110.2Y65 F66 I80 L83V59-Y65 WeakPolarHBondContact O-CA 3.46Å; V59-F66 HydrophobicContact CG2-CB 3.86Å; V59-F66 HydrophobicContact CG2-CG 4.45Å; V59-F66 PolarHBondContact N-O 3.12Å; V59-F66 PolarHBondContact O-N 2.89Å; V59-I80 HydrophobicContact CG1-CB 4.48Å; V59-I80 HydrophobicContact CG1-CG1 4.48Å; V59-I80 HydrophobicContact CG1-CG2 3.92Å; V59-L83 HydrophobicContact CG1-CB 4.2Å; V59-L83 HydrophobicContact CG1-CD1 4.24Å; V59-L83 HydrophobicContact CG2-CB 3.64Å; V59-L83 HydrophobicContact CG2-CD1 4.19Å
60L96.5Very high96.2Very high39 Ų3944.6 Ų44.620%0.20421%0.21CC..EExtended strand (participates in β ladder)trans-102.4120174.8178.761.3000109.9P42 E43 Y65P42-L60 HydrophobicContact CB-CD2 3.57Å; E43-L60 HydrophobicContact CG-CD2 4.15Å; L60-Y65 HydrophobicContact CB-CD1 3.88Å; L60-Y65 HydrophobicContact CB-CE1 3.77Å; L60-Y65 HydrophobicContact CD1-CD1 3.9Å; L60-Y65 HydrophobicContact CD1-CD2 4.03Å; L60-Y65 HydrophobicContact CD1-CE1 3.84Å; L60-Y65 HydrophobicContact CD1-CE2 3.95Å; L60-Y65 HydrophobicContact CD1-CG 4.02Å; L60-Y65 HydrophobicContact CD2-CE1 4.12Å; L60-Y65 HydrophobicContact CG-CD1 4.4Å; L60-Y65 HydrophobicContact CG-CE1 4.11Å
61R94.9Very high96.1Very high106 Ų10645.4 Ų45.440%0.421%0.206SC..EExtended strand (participates in β ladder)trans-141.8135175.9-68.9-65.4-177.7-938.4110.1R63 I64 F66 H84 V87R61-R63 PolarHBondContact O-N 3Å; R61-R63 VanDerWaalsContact O-N 3.12Å; R61-I64 PolarHBondContact N-O 3.35Å; R61-I64 PolarHBondContact O-N 3.19Å; R61-I64 VanDerWaalsContact O-O 3.09Å; R61-F66 HydrophobicContact CB-CE2 4.49Å; R61-H84 PolarHBondContact NH2-CE1 2.96Å; R61-H84 PolarHBondContact NH2-NE2 3.44Å; R61-V87 HydrophobicContact CB-CG1 3.87Å; R61-V87 HydrophobicContact CB-CG2 4.09Å; R61-V87 HydrophobicContact CG-CG1 4.03Å; R61-V87 HydrophobicContact CG-CG2 4.07Å
62H91.9Very high95.8Very high80 Ų8047.2 Ų47.237%0.3722%0.22SC..THydrogen-bonded Turntrans50.736.6-179.9-53.989.9000114.1I64 Q91 C97H62-I64 PolarHBondContact O-N 3.35Å; H62-Q91 PolarHBondContact CE1-NE2 2.9Å; H62-Q91 PolarHBondContact NE2-NE2 3.38Å; H62-C97 WeakPolarHBondContact CB-O 3.31Å
63R93.1Very high95.5Very high205 Ų20551.4 Ų51.477%0.77423%0.232SC*.THydrogen-bonded Turntrans63.222.4-175.2-50.5-175.8-178.5172.1-0.1115.1R61R61-R63 PolarHBondContact O-N 3Å; R61-R63 VanDerWaalsContact O-N 3.12Å
64I96.5Very high95.4Very high5 Ų545.3 Ų45.33%0.02621%0.205CC..EExtended strand (participates in β ladder)trans-118.1130.2173.6-58.1168.3000107.8L7 I8 F15 R61 H62 F66 I102L7-I64 HydrophobicContact CB-CG2 4.28Å; L7-I64 HydrophobicContact CG-CG2 4.28Å; I8-I64 WeakPolarHBondContact O-CA 3.29Å; F15-I64 HydrophobicContact CE1-CG2 3.94Å; F15-I64 HydrophobicContact CZ-CD1 4.26Å; F15-I64 HydrophobicContact CZ-CG2 4.04Å; R61-I64 PolarHBondContact N-O 3.35Å; R61-I64 PolarHBondContact O-N 3.19Å; R61-I64 VanDerWaalsContact O-O 3.09Å; H62-I64 PolarHBondContact O-N 3.35Å; I64-F66 HydrophobicContact CB-CE2 3.96Å; I64-F66 HydrophobicContact CG2-CD2 4.15Å; I64-F66 HydrophobicContact CG2-CE2 3.73Å; I64-F66 HydrophobicContact CG2-CZ 4.25Å; I64-I102 HydrophobicContact CD1-CD1 4.05Å
65Y97.9Very high95.4Very high6 Ų648 Ų482%0.02423%0.226CC..EExtended strand (participates in β ladder)trans-86.6129.5167.8-67.6-83.9000109.8L7 I8 F32 P42 V45 V59 L60L7-Y65 WeakPolarHBondContact CA-O 3.48Å; I8-Y65 PolarHBondContact N-O 3.16Å; I8-Y65 PolarHBondContact O-N 2.82Å; F32-Y65 HydrophobicContact CE1-CD2 4.09Å; F32-Y65 HydrophobicContact CE1-CE2 4.47Å; F32-Y65 HydrophobicContact CE1-CG 4.11Å; F32-Y65 HydrophobicContact CE2-CD1 4.05Å; F32-Y65 HydrophobicContact CE2-CE1 4.41Å; F32-Y65 HydrophobicContact CE2-CG 4.34Å; F32-Y65 AromaticContact CZ-CD1 3.47Å; F32-Y65 HydrophobicContact CZ-CD1 3.47Å; F32-Y65 VanDerWaalsContact CZ-CD1 3.47Å; F32-Y65 AromaticContact CZ-CD2 3.77Å; F32-Y65 HydrophobicContact CZ-CD2 3.77Å; F32-Y65 AromaticContact CZ-CE1 3.8Å; F32-Y65 HydrophobicContact CZ-CE1 3.8Å; F32-Y65 HydrophobicContact CZ-CE2 4.08Å; F32-Y65 AromaticContact CZ-CG 3.43Å; F32-Y65 HydrophobicContact CZ-CG 3.43Å; F32-Y65 VanDerWaalsContact CZ-CG 3.43Å; P42-Y65 VanDerWaalsContact C-OH 3.22Å; P42-Y65 WeakPolarHBondContact CA-OH 3.38Å; P42-Y65 VanDerWaalsContact CB-OH 3.27Å; P42-Y65 WeakPolarHBondContact CB-OH 3.29Å; P42-Y65 PolarHBondContact O-OH 3.25Å; V45-Y65 HydrophobicContact CB-CE1 4.34Å; V45-Y65 HydrophobicContact CG2-CE1 4.38Å; V45-Y65 WeakPolarHBondContact CG2-OH 3.39Å; V59-Y65 WeakPolarHBondContact O-CA 3.46Å; L60-Y65 HydrophobicContact CB-CD1 3.88Å; L60-Y65 HydrophobicContact CB-CE1 3.77Å; L60-Y65 HydrophobicContact CD1-CD1 3.9Å; L60-Y65 HydrophobicContact CD1-CD2 4.03Å; L60-Y65 HydrophobicContact CD1-CE1 3.84Å; L60-Y65 HydrophobicContact CD1-CE2 3.95Å; L60-Y65 HydrophobicContact CD1-CG 4.02Å; L60-Y65 HydrophobicContact CD2-CE1 4.12Å; L60-Y65 HydrophobicContact CG-CD1 4.4Å; L60-Y65 HydrophobicContact CG-CE1 4.11Å
66F98.4Very high95.3Very high0 Ų046.4 Ų46.40%023%0.227CC..EExtended strand (participates in β ladder)trans-102.3109.5169.1-67.7-108.2000106.4L5 L7 S58 V59 R61 I64 L83 V86 V87 F90L5-F66 HydrophobicContact CD1-CB 4.24Å; L7-F66 HydrophobicContact CD1-CD1 3.74Å; L7-F66 HydrophobicContact CD1-CE1 4.03Å; L7-F66 HydrophobicContact CD1-CG 4.47Å; L7-F66 HydrophobicContact CD2-CD1 4.34Å; L7-F66 HydrophobicContact CD2-CE1 3.81Å; L7-F66 HydrophobicContact CD2-CZ 4.18Å; L7-F66 HydrophobicContact CG-CD1 3.9Å; L7-F66 HydrophobicContact CG-CE1 3.86Å; L7-F66 HydrophobicContact CG-CG 4.43Å; L7-F66 HydrophobicContact CG-CZ 4.34Å; S58-F66 WeakPolarHBondContact CA-O 3.29Å; V59-F66 HydrophobicContact CG2-CB 3.86Å; V59-F66 HydrophobicContact CG2-CG 4.45Å; V59-F66 PolarHBondContact N-O 3.12Å; V59-F66 PolarHBondContact O-N 2.89Å; R61-F66 HydrophobicContact CB-CE2 4.49Å; I64-F66 HydrophobicContact CB-CE2 3.96Å; I64-F66 HydrophobicContact CG2-CD2 4.15Å; I64-F66 HydrophobicContact CG2-CE2 3.73Å; I64-F66 HydrophobicContact CG2-CZ 4.25Å; F66-L83 HydrophobicContact CB-CD2 4.21Å; F66-V86 HydrophobicContact CD1-CG1 4.32Å; F66-V86 HydrophobicContact CE1-CG1 4.17Å; F66-V87 HydrophobicContact CD1-CG2 4.13Å; F66-V87 HydrophobicContact CD2-CG2 3.81Å; F66-V87 HydrophobicContact CE1-CG2 3.9Å; F66-V87 HydrophobicContact CE2-CG2 3.59Å; F66-V87 HydrophobicContact CG-CG2 4.1Å; F66-V87 HydrophobicContact CZ-CG2 3.65Å; F66-F90 HydrophobicContact CE1-CD2 4.13Å; F66-F90 AromaticContact CE1-CE2 3.98Å; F66-F90 HydrophobicContact CE1-CE2 3.98Å; F66-F90 HydrophobicContact CZ-CD2 4.41Å
67V98.4Very high95.1Very high0 Ų053 Ų530%026%0.261CS..EExtended strand (participates in β ladder)trans-112.5105.3-173.4-173.70000109.2L5 F6 I8 F32 L56L5-V67 WeakPolarHBondContact CA-O 3.48Å; F6-V67 HydrophobicContact CB-CB 4.44Å; F6-V67 PolarHBondContact N-O 3.03Å; F6-V67 PolarHBondContact O-N 3.31Å; I8-V67 HydrophobicContact CD1-CG2 3.76Å; I8-V67 HydrophobicContact CG1-CG2 4.26Å; F32-V67 HydrophobicContact CD2-CG1 4.46Å; F32-V67 HydrophobicContact CD2-CG2 4.02Å; F32-V67 HydrophobicContact CE1-CG2 4.49Å; F32-V67 HydrophobicContact CE2-CG2 3.98Å; F32-V67 HydrophobicContact CG-CG2 4.32Å; F32-V67 HydrophobicContact CZ-CG2 4.24Å; L56-V67 HydrophobicContact CB-CG1 4.07Å; L56-V67 HydrophobicContact CD2-CG1 4.37Å
68A98.2Very high94.9Very high0 Ų056.9 Ų56.90%028%0.278CS..EExtended strand (participates in β ladder)trans-83.3139.4171.300000110.8I2 S4 L56 I57 V79 L83I2-A68 HydrophobicContact CG2-CB 4.31Å; S4-A68 CarbonylContact O-C 3.54Å; S4-A68 WeakPolarHBondContact O-CA 3.45Å; L56-A68 WeakPolarHBondContact CA-O 3.31Å; I57-A68 PolarHBondContact N-O 3.42Å; I57-A68 PolarHBondContact O-N 2.89Å; A68-V79 HydrophobicContact CB-CG1 3.51Å; A68-L83 HydrophobicContact CB-CD1 4.06Å; A68-L83 HydrophobicContact CB-CD2 4.1Å; A68-L83 HydrophobicContact CB-CG 4.37Å
69V97.9Very high94.9Very high0 Ų056.6 Ų56.60%028%0.276CS..EExtended strand (participates in β ladder)trans-107.3128.2172.8-172.30000109.5H3 S4 F6 V24 V28 H54 L56H3-V69 PolarHBondContact N-O 2.93Å; S4-V69 PolarHBondContact N-O 2.86Å; S4-V69 PolarHBondContact O-N 3.23Å; F6-V69 HydrophobicContact CD2-CG2 3.8Å; F6-V69 HydrophobicContact CE2-CG2 3.53Å; V24-V69 HydrophobicContact CG1-CG1 4.23Å; V28-V69 HydrophobicContact CG1-CG2 4.07Å; H54-V69 HydrophobicContact CB-CG1 3.77Å; L56-V69 HydrophobicContact CD2-CB 4.36Å; L56-V69 HydrophobicContact CD2-CG1 4.22Å; L56-V69 HydrophobicContact CD2-CG2 3.64Å
70I96.3Very high94.9Very high4 Ų457.8 Ų57.82%0.02128%0.282CS..EExtended strand (participates in β ladder)trans-122.2145.3172.862170000109.6I2 H54 Y55 I57 V74 V79I2-I70 HydrophobicContact CG1-CG2 4.31Å; H54-I70 CarbonylContact C-O 3.57Å; H54-I70 VanDerWaalsContact CA-O 3.23Å; H54-I70 WeakPolarHBondContact CA-O 3.28Å; H54-I70 WeakPolarHBondContact CB-O 3.42Å; Y55-I70 HydrophobicContact CD2-CD1 4.27Å; Y55-I70 HydrophobicContact CD2-CG1 4.2Å; Y55-I70 HydrophobicContact CG-CD1 4.37Å; Y55-I70 HydrophobicContact CG-CG1 4.35Å; Y55-I70 PolarHBondContact N-O 3.17Å; Y55-I70 WeakPolarHBondContact O-CG1 3.47Å; Y55-I70 PolarHBondContact O-N 3.05Å; I57-I70 HydrophobicContact CD1-CD1 3.6Å; I57-I70 HydrophobicContact CD1-CG1 4.3Å; I57-I70 HydrophobicContact CG1-CD1 4.38Å; I70-V74 HydrophobicContact CD1-CG2 3.58Å; I70-V74 HydrophobicContact CG2-CG2 4.18Å; I70-V79 HydrophobicContact CG2-CG2 4.21Å
71Q92.4Very high94.8Very high109 Ų10960.2 Ų60.251%0.50929%0.292SS..SBendtrans-102.3-28.8176.4-166.3178.83.600112.6H3 H53H3-Q71 PolarHBondContact CE1-OE1 3.36Å; H53-Q71 WeakPolarHBondContact O-CG 3.13Å
72S89.8Confident94.9Very high59 Ų5955.5 Ų55.541%0.41328%0.275SS..SBendtrans-106.8148.5177.171.60000110.1M1 V74M1-S72 PolarHBondContact N-OG 2.83Å; S72-V74 PolarHBondContact O-N 2.89Å
73E86.9Confident95.1Very high172 Ų17251.7 Ų51.780%0.80426%0.257SS*.  trans-57.7128.6172-167.8174.5174.200110.4
74V91Very high95.2Very high19 Ų1943.5 Ų43.512%0.11523%0.228CC..  trans-140154.7171.9-64.40000107.8M1 I70 S72 P76 V79M1-V74 HydrophobicContact SD-CG1 3.96Å; I70-V74 HydrophobicContact CD1-CG2 3.58Å; I70-V74 HydrophobicContact CG2-CG2 4.18Å; S72-V74 PolarHBondContact O-N 2.89Å; V74-P76 WeakPolarHBondContact O-CD 3.3Å; V74-P76 VanDerWaalsContact O-N 3.1Å; V74-V79 HydrophobicContact CG2-CG2 3.65Å
75P94.5Very high95.2Very high94 Ų9447.4 Ų47.461%0.6124%0.242SC*.  trans-53.7117.8174.7-26.535.5000110.7L77 F78P75-L77 PolarHBondContact O-N 3.38Å; P75-F78 HydrophobicContact CB-CB 4.4Å; P75-F78 VanDerWaalsContact O-CB 3.31Å; P75-F78 WeakPolarHBondContact O-CB 3.29Å; P75-F78 PolarHBondContact O-N 2.86Å
76P94.4Very high95.1Very high60 Ų6047.1 Ų47.139%0.3924%0.241SC..Hα-helixtrans-61-34.1-173.1-28.236.3000113.5V48 I57 V74 F78 V79 I80V48-P76 HydrophobicContact CG2-CB 3.97Å; V48-P76 HydrophobicContact CG2-CG 4.48Å; I57-P76 HydrophobicContact CD1-CB 4.17Å; V74-P76 WeakPolarHBondContact O-CD 3.3Å; V74-P76 VanDerWaalsContact O-N 3.1Å; P76-F78 PolarHBondContact O-N 3.45Å; P76-V79 PolarHBondContact O-N 3.37Å; P76-V79 VanDerWaalsContact O-N 3.08Å; P76-I80 WeakPolarHBondContact O-CG1 3.19Å; P76-I80 PolarHBondContact O-N 2.89Å
77L95.1Very high95Very high138 Ų13847.2 Ų47.272%0.72324%0.241SC*.Hα-helixtrans-59.2-32.1177-69.8176.6000113.1P75 I80 E81P75-L77 PolarHBondContact O-N 3.38Å; L77-I80 PolarHBondContact O-N 3.36Å; L77-E81 WeakPolarHBondContact O-CB 3.12Å; L77-E81 PolarHBondContact O-N 2.99Å
78F94.4Very high94.7Very high83 Ų8350.2 Ų50.236%0.36426%0.258SS..Hα-helixtrans-64.5-42.4175.7167.6-94.1000111.6M1 P75 P76 F82 P122M1-F78 HydrophobicContact CE-CE1 3.54Å; M1-F78 HydrophobicContact CE-CZ 3.75Å; P75-F78 HydrophobicContact CB-CB 4.4Å; P75-F78 VanDerWaalsContact O-CB 3.31Å; P75-F78 WeakPolarHBondContact O-CB 3.29Å; P75-F78 PolarHBondContact O-N 2.86Å; P76-F78 PolarHBondContact O-N 3.45Å; F78-F82 PolarHBondContact O-N 2.95Å; F78-F82 VanDerWaalsContact O-N 3.13Å; F78-P122 HydrophobicContact CE1-CG 4.12Å; F78-P122 HydrophobicContact CE2-CG 4.1Å; F78-P122 HydrophobicContact CZ-CG 3.54Å
79V96.8Very high94.5Very high0 Ų050.4 Ų50.40%026%0.259CS..Hα-helixtrans-71.1-41.8178.2-178.30000110.5I2 I57 A68 I70 V74 P76 E81 F82 L83I2-V79 HydrophobicContact CD1-CG1 4.08Å; I2-V79 HydrophobicContact CD1-CG2 4.38Å; I2-V79 HydrophobicContact CG1-CG1 4.21Å; I2-V79 HydrophobicContact CG1-CG2 4.14Å; I57-V79 HydrophobicContact CB-CB 4.42Å; I57-V79 HydrophobicContact CB-CG1 3.93Å; I57-V79 HydrophobicContact CD1-CB 3.83Å; I57-V79 HydrophobicContact CD1-CG1 4.09Å; I57-V79 HydrophobicContact CD1-CG2 3.9Å; I57-V79 HydrophobicContact CG2-CB 4.12Å; I57-V79 HydrophobicContact CG2-CG1 3.92Å; A68-V79 HydrophobicContact CB-CG1 3.51Å; I70-V79 HydrophobicContact CG2-CG2 4.21Å; V74-V79 HydrophobicContact CG2-CG2 3.65Å; P76-V79 PolarHBondContact O-N 3.37Å; P76-V79 VanDerWaalsContact O-N 3.08Å; V79-E81 PolarHBondContact O-N 3.06Å; V79-F82 PolarHBondContact O-N 3.29Å; V79-L83 HydrophobicContact CG1-CD1 4.41Å; V79-L83 HydrophobicContact CG1-CG 4.49Å; V79-L83 VanDerWaalsContact O-CG 3.32Å; V79-L83 WeakPolarHBondContact O-CG 3.5Å; V79-L83 PolarHBondContact O-N 3.25Å
80I96.8Very high94.3Very high34 Ų3450.5 Ų50.517%0.17426%0.259CS..Hα-helixtrans-59.4-45.6176.4-69.2168.5000111I57 V59 P76 L77 F82 L83 H84I57-I80 HydrophobicContact CG2-CD1 4.33Å; I57-I80 HydrophobicContact CG2-CG1 3.63Å; V59-I80 HydrophobicContact CG1-CB 4.48Å; V59-I80 HydrophobicContact CG1-CG1 4.48Å; V59-I80 HydrophobicContact CG1-CG2 3.92Å; P76-I80 WeakPolarHBondContact O-CG1 3.19Å; P76-I80 PolarHBondContact O-N 2.89Å; L77-I80 PolarHBondContact O-N 3.36Å; I80-F82 PolarHBondContact O-N 3.04Å; I80-L83 PolarHBondContact O-N 2.73Å; I80-H84 PolarHBondContact O-CD2 2.77Å; I80-H84 PolarHBondContact O-N 3.24Å
81E94.7Very high94.1Very high91 Ų9153.5 Ų53.543%0.42527%0.273SS..Hα-helixtrans-62.7-43.1177.6-179.358.2-159.300111.8L77 V79 L83 H84 R85L77-E81 WeakPolarHBondContact O-CB 3.12Å; L77-E81 PolarHBondContact O-N 2.99Å; V79-E81 PolarHBondContact O-N 3.06Å; E81-L83 VanDerWaalsContact C-N 3.34Å; E81-L83 PolarHBondContact O-N 3.14Å; E81-H84 PolarHBondContact O-N 2.88Å; E81-R85 PolarHBondContact O-N 2.94Å; E81-R85 IonicContact OE1-CZ 2.76Å; E81-R85 IonicContact OE1-NH1 3.86Å; E81-R85 PolarHBondContact OE1-NH1 3.25Å; E81-R85 IonicContact OE1-NH2 3.17Å
82F96.6Very high94Very high7 Ų752 Ų523%0.03127%0.269CS..Hα-helixtrans-59.7-44.3174.7173.1-100.9000111.9I2 F78 V79 I80 H84 R85 V86 M116 L117 P122 T125I2-F82 HydrophobicContact CD1-CB 4.35Å; I2-F82 HydrophobicContact CD1-CD1 3.43Å; I2-F82 VanDerWaalsContact CD1-CD1 3.43Å; I2-F82 HydrophobicContact CD1-CE1 3.95Å; I2-F82 HydrophobicContact CD1-CG 3.99Å; F78-F82 PolarHBondContact O-N 2.95Å; F78-F82 VanDerWaalsContact O-N 3.13Å; V79-F82 PolarHBondContact O-N 3.29Å; I80-F82 PolarHBondContact O-N 3.04Å; F82-H84 VanDerWaalsContact C-N 3.33Å; F82-H84 PolarHBondContact O-N 3.24Å; F82-R85 WeakPolarHBondContact O-CB 3.28Å; F82-R85 PolarHBondContact O-N 3.02Å; F82-R85 VanDerWaalsContact O-N 3.14Å; F82-V86 HydrophobicContact CD1-CG2 4.32Å; F82-V86 HydrophobicContact CE1-CG2 3.75Å; F82-V86 HydrophobicContact CE2-CG2 4.16Å; F82-V86 HydrophobicContact CZ-CG2 3.64Å; F82-V86 WeakPolarHBondContact O-CG2 3.32Å; F82-V86 PolarHBondContact O-N 3.28Å; F82-M116 HydrophobicContact CE2-CB 4.17Å; F82-M116 HydrophobicContact CZ-CB 4.46Å; F82-L117 HydrophobicContact CD2-CD1 4.32Å; F82-L117 HydrophobicContact CE1-CD1 4.16Å; F82-L117 HydrophobicContact CE1-CD2 4.09Å; F82-L117 HydrophobicContact CE2-CB 4.08Å; F82-L117 HydrophobicContact CE2-CD1 3.83Å; F82-L117 HydrophobicContact CE2-CG 4.49Å; F82-L117 HydrophobicContact CZ-CB 3.71Å; F82-L117 HydrophobicContact CZ-CD1 3.77Å; F82-L117 HydrophobicContact CZ-CD2 4.03Å; F82-L117 HydrophobicContact CZ-CG 4.07Å; F82-P122 HydrophobicContact CB-CG 4.37Å; F82-P122 HydrophobicContact CD2-CB 3.89Å; F82-P122 HydrophobicContact CD2-CG 3.72Å; F82-P122 HydrophobicContact CE2-CB 4.31Å; F82-P122 HydrophobicContact CE2-CG 4.35Å; F82-P122 HydrophobicContact CG-CG 4.18Å; F82-T125 HydrophobicContact CD2-CG2 4.39Å; F82-T125 HydrophobicContact CE2-CG2 4.48Å
83L97.5Very high94Very high0 Ų050 Ų500%025%0.252CS..Hα-helixtrans-62.9-39.1177-68178.2000112.1L5 V59 F66 A68 V79 I80 E81 R85 V86 V87L5-L83 HydrophobicContact CD1-CD2 3.59Å; V59-L83 HydrophobicContact CG1-CB 4.2Å; V59-L83 HydrophobicContact CG1-CD1 4.24Å; V59-L83 HydrophobicContact CG2-CB 3.64Å; V59-L83 HydrophobicContact CG2-CD1 4.19Å; F66-L83 HydrophobicContact CB-CD2 4.21Å; A68-L83 HydrophobicContact CB-CD1 4.06Å; A68-L83 HydrophobicContact CB-CD2 4.1Å; A68-L83 HydrophobicContact CB-CG 4.37Å; V79-L83 HydrophobicContact CG1-CD1 4.41Å; V79-L83 HydrophobicContact CG1-CG 4.49Å; V79-L83 VanDerWaalsContact O-CG 3.32Å; V79-L83 WeakPolarHBondContact O-CG 3.5Å; V79-L83 PolarHBondContact O-N 3.25Å; I80-L83 PolarHBondContact O-N 2.73Å; E81-L83 VanDerWaalsContact C-N 3.34Å; E81-L83 PolarHBondContact O-N 3.14Å; L83-R85 VanDerWaalsContact C-N 3.35Å; L83-V86 PolarHBondContact O-N 3.47Å; L83-V87 WeakPolarHBondContact O-CG2 3.49Å; L83-V87 PolarHBondContact O-N 3.15Å; L83-V87 VanDerWaalsContact O-N 3.09Å
84H95.4Very high94.2Very high33 Ų3343.4 Ų43.415%0.15322%0.221CC..Hα-helixtrans-62.9-40.7172.1-74.6-37.8000112.3R61 I80 E81 F82 V86 V87 D88R61-H84 PolarHBondContact NH2-CE1 2.96Å; R61-H84 PolarHBondContact NH2-NE2 3.44Å; I80-H84 PolarHBondContact O-CD2 2.77Å; I80-H84 PolarHBondContact O-N 3.24Å; E81-H84 PolarHBondContact O-N 2.88Å; F82-H84 VanDerWaalsContact C-N 3.33Å; F82-H84 PolarHBondContact O-N 3.24Å; H84-V86 PolarHBondContact O-N 2.93Å; H84-V87 PolarHBondContact O-N 3.14Å; H84-D88 VanDerWaalsContact O-CG 3.25Å; H84-D88 PolarHBondContact O-N 2.97Å
85R94.8Very high94.1Very high87 Ų8744.4 Ų44.433%0.32824%0.235SC..Hα-helixtrans-60.4-41.6172.9-77.2-63.492.878.49.7113E81 F82 L83 V87 D88 T89 M116E81-R85 PolarHBondContact O-N 2.94Å; E81-R85 IonicContact OE1-CZ 2.76Å; E81-R85 IonicContact OE1-NH1 3.86Å; E81-R85 PolarHBondContact OE1-NH1 3.25Å; E81-R85 IonicContact OE1-NH2 3.17Å; F82-R85 WeakPolarHBondContact O-CB 3.28Å; F82-R85 PolarHBondContact O-N 3.02Å; F82-R85 VanDerWaalsContact O-N 3.14Å; L83-R85 VanDerWaalsContact C-N 3.35Å; R85-V87 VanDerWaalsContact C-N 3.33Å; R85-V87 PolarHBondContact O-N 3.26Å; R85-D88 IonicContact CZ-OD2 3.91Å; R85-D88 VanDerWaalsContact CZ-OD2 3.27Å; R85-D88 IonicContact NE-OD2 3.77Å; R85-D88 PolarHBondContact NE-OD2 3.25Å; R85-D88 VanDerWaalsContact NE-OD2 3.12Å; R85-D88 IonicContact NH2-OD2 2.78Å; R85-D88 PolarHBondContact NH2-OD2 3.5Å; R85-D88 PolarHBondContact O-N 3.02Å; R85-T89 WeakPolarHBondContact O-CB 3.49Å; R85-T89 PolarHBondContact O-N 3.38Å; R85-T89 PolarHBondContact O-OG1 3.45Å; R85-M116 HydrophobicContact CB-CE 4.23Å
86V96.6Very high93.9Very high0 Ų044.5 Ų44.50%023%0.234CC..Hα-helixtrans-58.3-46.2173.9171.70000111.1L5 F66 F82 L83 H84 T89 F90 L113 M116L5-V86 HydrophobicContact CD2-CG1 4.46Å; F66-V86 HydrophobicContact CD1-CG1 4.32Å; F66-V86 HydrophobicContact CE1-CG1 4.17Å; F82-V86 HydrophobicContact CD1-CG2 4.32Å; F82-V86 HydrophobicContact CE1-CG2 3.75Å; F82-V86 HydrophobicContact CE2-CG2 4.16Å; F82-V86 HydrophobicContact CZ-CG2 3.64Å; F82-V86 WeakPolarHBondContact O-CG2 3.32Å; F82-V86 PolarHBondContact O-N 3.28Å; L83-V86 PolarHBondContact O-N 3.47Å; H84-V86 PolarHBondContact O-N 2.93Å; V86-T89 PolarHBondContact O-N 3.46Å; V86-F90 HydrophobicContact CG1-CD2 4.32Å; V86-F90 HydrophobicContact CG1-CE1 4.06Å; V86-F90 HydrophobicContact CG1-CE2 3.81Å; V86-F90 HydrophobicContact CG1-CZ 3.64Å; V86-F90 WeakPolarHBondContact O-CG 3.41Å; V86-F90 PolarHBondContact O-N 3.32Å; V86-L113 HydrophobicContact CG1-CD2 3.79Å; V86-L113 HydrophobicContact CG2-CD2 4.13Å; V86-M116 HydrophobicContact CB-CE 4.44Å; V86-M116 HydrophobicContact CG2-CE 3.86Å; V86-M116 HydrophobicContact CG2-SD 4.25Å
87V96Very high93.7Very high1 Ų141.7 Ų41.71%0.00622%0.215CC..Hα-helixtrans-60.8-47.7177.7175.70000111.1R61 F66 L83 H84 R85 T89 F90 Q91R61-V87 HydrophobicContact CB-CG1 3.87Å; R61-V87 HydrophobicContact CB-CG2 4.09Å; R61-V87 HydrophobicContact CG-CG1 4.03Å; R61-V87 HydrophobicContact CG-CG2 4.07Å; F66-V87 HydrophobicContact CD1-CG2 4.13Å; F66-V87 HydrophobicContact CD2-CG2 3.81Å; F66-V87 HydrophobicContact CE1-CG2 3.9Å; F66-V87 HydrophobicContact CE2-CG2 3.59Å; F66-V87 HydrophobicContact CG-CG2 4.1Å; F66-V87 HydrophobicContact CZ-CG2 3.65Å; L83-V87 WeakPolarHBondContact O-CG2 3.49Å; L83-V87 PolarHBondContact O-N 3.15Å; L83-V87 VanDerWaalsContact O-N 3.09Å; H84-V87 PolarHBondContact O-N 3.14Å; R85-V87 VanDerWaalsContact C-N 3.33Å; R85-V87 PolarHBondContact O-N 3.26Å; V87-T89 VanDerWaalsContact C-N 3.34Å; V87-T89 PolarHBondContact O-N 3.01Å; V87-F90 PolarHBondContact O-N 3.23Å; V87-Q91 WeakPolarHBondContact O-CG 3.35Å; V87-Q91 PolarHBondContact O-N 3.32Å
88D92.6Very high93.7Very high64 Ų6437.8 Ų37.834%0.34220%0.197SC..Hα-helixtrans-63.2-40.8-179.3-64.9-25.7000111.7H84 R85 Q91 D92H84-D88 VanDerWaalsContact O-CG 3.25Å; H84-D88 PolarHBondContact O-N 2.97Å; R85-D88 IonicContact CZ-OD2 3.91Å; R85-D88 VanDerWaalsContact CZ-OD2 3.27Å; R85-D88 IonicContact NE-OD2 3.77Å; R85-D88 PolarHBondContact NE-OD2 3.25Å; R85-D88 VanDerWaalsContact NE-OD2 3.12Å; R85-D88 IonicContact NH2-OD2 2.78Å; R85-D88 PolarHBondContact NH2-OD2 3.5Å; R85-D88 PolarHBondContact O-N 3.02Å; D88-Q91 PolarHBondContact O-N 3.36Å; D88-D92 WeakPolarHBondContact O-CB 3.5Å; D88-D92 PolarHBondContact O-N 2.95Å
89T93.6Very high93.7Very high4 Ų436.5 Ų36.53%0.02519%0.192CC..Hα-helixtrans-60.8-45.6174.3-63.20000110.9R85 V86 V87 Q91 D92 Y93 L112 M116 L130R85-T89 WeakPolarHBondContact O-CB 3.49Å; R85-T89 PolarHBondContact O-N 3.38Å; R85-T89 PolarHBondContact O-OG1 3.45Å; V86-T89 PolarHBondContact O-N 3.46Å; V87-T89 VanDerWaalsContact C-N 3.34Å; V87-T89 PolarHBondContact O-N 3.01Å; T89-Q91 VanDerWaalsContact C-N 3.28Å; T89-Q91 PolarHBondContact O-N 3.21Å; T89-D92 PolarHBondContact O-N 3.39Å; T89-Y93 HydrophobicContact CG2-CD2 4.07Å; T89-Y93 HydrophobicContact CG2-CE2 4.04Å; T89-Y93 VanDerWaalsContact O-CD2 3.23Å; T89-Y93 WeakPolarHBondContact O-CD2 3.43Å; T89-Y93 PolarHBondContact O-N 2.82Å; T89-L112 HydrophobicContact CG2-CD1 4.14Å; T89-L112 HydrophobicContact CG2-CD2 4.04Å; T89-M116 HydrophobicContact CG2-SD 3.96Å; T89-M116 WeakPolarHBondContact OG1-CE 3.42Å; T89-L130 HydrophobicContact CG2-CD1 3.76Å
90F94.8Very high93.6Very high1 Ų139.2 Ų39.20%0.00422%0.215CC..Hα-helixtrans-62.5-38.1176.5-70.2-1.6000111.8L7 F66 V86 V87 Y93 F94 I102 V109 L112 L113L7-F90 HydrophobicContact CD2-CE2 4.28Å; F66-F90 HydrophobicContact CE1-CD2 4.13Å; F66-F90 AromaticContact CE1-CE2 3.98Å; F66-F90 HydrophobicContact CE1-CE2 3.98Å; F66-F90 HydrophobicContact CZ-CD2 4.41Å; V86-F90 HydrophobicContact CG1-CD2 4.32Å; V86-F90 HydrophobicContact CG1-CE1 4.06Å; V86-F90 HydrophobicContact CG1-CE2 3.81Å; V86-F90 HydrophobicContact CG1-CZ 3.64Å; V86-F90 WeakPolarHBondContact O-CG 3.41Å; V86-F90 PolarHBondContact O-N 3.32Å; V87-F90 PolarHBondContact O-N 3.23Å; F90-Y93 PolarHBondContact O-N 2.88Å; F90-F94 HydrophobicContact CB-CD2 4.05Å; F90-F94 HydrophobicContact CB-CE2 4.33Å; F90-F94 AromaticContact CD1-CE2 4Å; F90-F94 HydrophobicContact CD1-CE2 4Å; F90-F94 HydrophobicContact CG-CD2 4.42Å; F90-F94 HydrophobicContact CG-CE2 4.26Å; F90-F94 WeakPolarHBondContact O-CB 3.5Å; F90-F94 VanDerWaalsContact O-CD2 3.23Å; F90-F94 WeakPolarHBondContact O-CD2 3.37Å; F90-F94 PolarHBondContact O-N 3.17Å; F90-I102 HydrophobicContact CD2-CD1 4.1Å; F90-I102 HydrophobicContact CD2-CG1 4.26Å; F90-I102 HydrophobicContact CE2-CD1 4.39Å; F90-V109 HydrophobicContact CE1-CG1 4.1Å; F90-V109 HydrophobicContact CE1-CG2 4.43Å; F90-V109 HydrophobicContact CE2-CG1 4.18Å; F90-V109 HydrophobicContact CZ-CB 4.47Å; F90-V109 HydrophobicContact CZ-CG1 3.58Å; F90-V109 HydrophobicContact CZ-CG2 4.45Å; F90-L112 HydrophobicContact CD1-CD1 4.36Å; F90-L112 HydrophobicContact CE1-CD1 4.43Å; F90-L113 HydrophobicContact CE1-CD2 4.46Å; F90-L113 HydrophobicContact CE1-CG 4.49Å; F90-L113 HydrophobicContact CZ-CD1 4.33Å; F90-L113 HydrophobicContact CZ-CD2 3.99Å; F90-L113 HydrophobicContact CZ-CG 4.07Å
91Q92Very high93.5Very high67 Ų6738.3 Ų38.331%0.31321%0.213SC..Hα-helixtrans-65.2-40.8176.2-70.8-176.3-90.300112.5H62 V87 D88 T89 Y93 G95 C97H62-Q91 PolarHBondContact CE1-NE2 2.9Å; H62-Q91 PolarHBondContact NE2-NE2 3.38Å; V87-Q91 WeakPolarHBondContact O-CG 3.35Å; V87-Q91 PolarHBondContact O-N 3.32Å; D88-Q91 PolarHBondContact O-N 3.36Å; T89-Q91 VanDerWaalsContact C-N 3.28Å; T89-Q91 PolarHBondContact O-N 3.21Å; Q91-Y93 VanDerWaalsContact C-N 3.27Å; Q91-Y93 PolarHBondContact O-N 2.74Å; Q91-G95 CarbonylContact C-O 3.55Å; Q91-G95 WeakPolarHBondContact CA-O 2.98Å; Q91-G95 WeakPolarHBondContact CB-O 3.42Å; Q91-G95 WeakPolarHBondContact O-CA 3.17Å; Q91-G95 PolarHBondContact O-N 2.88Å; Q91-G95 VanDerWaalsContact O-O 3.14Å; Q91-C97 HydrophobicContact CG-CB 3.73Å
92D88.8Confident93.5Very high79 Ų7934 Ų3442%0.42219%0.193SC..Hα-helixtrans-72.4-21.1-179.1-164.918.8000113.2D88 T89 S127 K131D88-D92 WeakPolarHBondContact O-CB 3.5Å; D88-D92 PolarHBondContact O-N 2.95Å; T89-D92 PolarHBondContact O-N 3.39Å; D92-S127 WeakPolarHBondContact OD2-CB 3.36Å; D92-S127 PolarHBondContact OD2-OG 3.09Å; D92-K131 IonicContact OD1-NZ 3.12Å; D92-K131 PolarHBondContact OD1-NZ 2.63Å; D92-K131 VanDerWaalsContact OD2-CE 3.24Å; D92-K131 WeakPolarHBondContact OD2-CE 3.23Å; D92-K131 IonicContact OD2-NZ 2.63Å; D92-K131 PolarHBondContact OD2-NZ 3.12Å
93Y91.3Very high93.4Very high16 Ų1638.5 Ų38.56%0.06321%0.212CC..Hα-helixtrans-91.7-41175.5-86.8-113.7000113.6T89 F90 Q91 V108 L112 L130 K131 I134 P136T89-Y93 HydrophobicContact CG2-CD2 4.07Å; T89-Y93 HydrophobicContact CG2-CE2 4.04Å; T89-Y93 VanDerWaalsContact O-CD2 3.23Å; T89-Y93 WeakPolarHBondContact O-CD2 3.43Å; T89-Y93 PolarHBondContact O-N 2.82Å; F90-Y93 PolarHBondContact O-N 2.88Å; Q91-Y93 VanDerWaalsContact C-N 3.27Å; Q91-Y93 PolarHBondContact O-N 2.74Å; Y93-V108 HydrophobicContact CD1-CG1 4.09Å; Y93-V108 HydrophobicContact CE1-CG1 4.37Å; Y93-L112 HydrophobicContact CD1-CD1 3.87Å; Y93-L112 HydrophobicContact CD1-CD2 4.44Å; Y93-L112 HydrophobicContact CD2-CD1 4.33Å; Y93-L112 HydrophobicContact CE1-CD1 4.07Å; Y93-L112 HydrophobicContact CE1-CD2 3.81Å; Y93-L112 HydrophobicContact CE1-CG 4.37Å; Y93-L112 HydrophobicContact CE2-CD1 4.5Å; Y93-L112 HydrophobicContact CE2-CD2 3.99Å; Y93-L112 HydrophobicContact CG-CD1 3.99Å; Y93-L130 WeakPolarHBondContact OH-CB 3.24Å; Y93-L130 PolarHBondContact OH-O 2.84Å; Y93-K131 HydrophobicContact CE1-CG 4.49Å; Y93-K131 HydrophobicContact CE2-CD 4.46Å; Y93-K131 HydrophobicContact CE2-CG 3.63Å; Y93-K131 WeakPolarHBondContact OH-CA 3.48Å; Y93-K131 WeakPolarHBondContact OH-CG 3.35Å; Y93-K131 PolarHBondContact OH-N 2.76Å; Y93-I134 HydrophobicContact CE1-CG2 4.37Å; Y93-I134 WeakPolarHBondContact CE1-O 3.21Å; Y93-I134 PolarHBondContact OH-O 3.47Å; Y93-P136 HydrophobicContact CD1-CB 4.06Å; Y93-P136 HydrophobicContact CD1-CG 4.01Å; Y93-P136 HydrophobicContact CE1-CB 4.32Å; Y93-P136 HydrophobicContact CE1-CG 3.88Å; Y93-P136 HydrophobicContact CG-CG 4.48Å
94F90.9Very high93.3Very high33 Ų3344.9 Ų44.915%0.14525%0.247CC..Hα-helixtrans-119.2-3.6-166.2-44.7-56.1000113.5F90 A101 N105 V108 V109 L112 P137F90-F94 HydrophobicContact CB-CD2 4.05Å; F90-F94 HydrophobicContact CB-CE2 4.33Å; F90-F94 AromaticContact CD1-CE2 4Å; F90-F94 HydrophobicContact CD1-CE2 4Å; F90-F94 HydrophobicContact CG-CD2 4.42Å; F90-F94 HydrophobicContact CG-CE2 4.26Å; F90-F94 WeakPolarHBondContact O-CB 3.5Å; F90-F94 VanDerWaalsContact O-CD2 3.23Å; F90-F94 WeakPolarHBondContact O-CD2 3.37Å; F90-F94 PolarHBondContact O-N 3.17Å; F94-A101 HydrophobicContact CB-CB 4.32Å; F94-N105 HydrophobicContact CD1-CB 3.73Å; F94-N105 HydrophobicContact CE1-CB 3.37Å; F94-N105 HydrophobicContact CG-CB 4.45Å; F94-N105 HydrophobicContact CZ-CB 3.82Å; F94-V108 HydrophobicContact CE1-CB 4.23Å; F94-V108 HydrophobicContact CE1-CG1 4Å; F94-V108 HydrophobicContact CZ-CB 4.09Å; F94-V108 HydrophobicContact CZ-CG1 3.82Å; F94-V109 HydrophobicContact CE2-CG2 3.6Å; F94-V109 HydrophobicContact CZ-CG2 3.84Å; F94-L112 HydrophobicContact CE2-CD1 4.26Å; F94-L112 HydrophobicContact CZ-CD1 4.01Å; F94-P137 HydrophobicContact CD1-CG 4.1Å; F94-P137 HydrophobicContact CE1-CG 3.85Å
95G89.6Confident93.2Very high41 Ų4145.3 Ų45.342%0.42325%0.25SC..SBendtrans86.8-121.4-177.700000112.7Q91 C97Q91-G95 CarbonylContact C-O 3.55Å; Q91-G95 WeakPolarHBondContact CA-O 2.98Å; Q91-G95 WeakPolarHBondContact CB-O 3.42Å; Q91-G95 WeakPolarHBondContact O-CA 3.17Å; Q91-G95 PolarHBondContact O-N 2.88Å; Q91-G95 VanDerWaalsContact O-O 3.14Å; G95-C97 PolarHBondContact O-N 3.05Å
96V89Confident93.2Very high95 Ų9543.9 Ų43.958%0.57625%0.251SS*.SBendtrans-73.3121.5177.1-174.50000108.6T98V96-T98 HydrophobicContact CB-CG2 4.31Å; V96-T98 HydrophobicContact CG1-CG2 3.84Å; V96-T98 PolarHBondContact O-N 3.3Å
97C90.6Very high93.1Very high1 Ų148.5 Ų48.51%0.00728%0.279CS..  trans-69.594.4-179.6-173.50000109.7H62 Q91 G95H62-C97 WeakPolarHBondContact CB-O 3.31Å; Q91-C97 HydrophobicContact CG-CB 3.73Å; G95-C97 PolarHBondContact O-N 3.05Å
98T94.7Very high93Very high56 Ų5648.8 Ų48.834%0.34428%0.28SS..  trans-122158.7179.961.90000110.2V96 A100 A101 I102V96-T98 HydrophobicContact CB-CG2 4.31Å; V96-T98 HydrophobicContact CG1-CG2 3.84Å; V96-T98 PolarHBondContact O-N 3.3Å; T98-A100 VanDerWaalsContact C-N 3.25Å; T98-A100 PolarHBondContact O-N 2.89Å; T98-A101 PolarHBondContact O-N 3.16Å; T98-A101 WeakPolarHBondContact OG1-CB 3.4Å; T98-A101 PolarHBondContact OG1-N 3.46Å; T98-I102 WeakPolarHBondContact O-CG1 3.37Å; T98-I102 PolarHBondContact O-N 2.81Å
99E95.3Very high93.1Very high56 Ų5645.7 Ų45.726%0.26226%0.264SS..Hα-helixtrans-55.4-42.9177.2-176.2-177157.300111.6N9 F15 I102 K103N9-E99 WeakPolarHBondContact CB-OE2 3.47Å; N9-E99 PolarHBondContact ND2-OE2 3.24Å; N9-E99 VanDerWaalsContact ND2-OE2 3.1Å; F15-E99 HydrophobicContact CD1-CG 4.06Å; F15-E99 HydrophobicContact CD2-CG 3.96Å; F15-E99 HydrophobicContact CE1-CG 4.09Å; F15-E99 HydrophobicContact CE2-CG 4Å; F15-E99 HydrophobicContact CG-CG 3.98Å; F15-E99 HydrophobicContact CZ-CB 4.34Å; F15-E99 HydrophobicContact CZ-CG 4.05Å; E99-I102 PolarHBondContact O-N 3.03Å; E99-K103 HydrophobicContact CG-CD 4.11Å; E99-K103 WeakPolarHBondContact O-CB 3.41Å; E99-K103 WeakPolarHBondContact O-CG 3.46Å; E99-K103 PolarHBondContact O-N 3.41Å; E99-K103 VanDerWaalsContact OE1-CE 3.3Å; E99-K103 WeakPolarHBondContact OE1-CE 3.48Å; E99-K103 IonicContact OE1-NZ 3.27Å; E99-K103 PolarHBondContact OE1-NZ 3.13Å
100A94.7Very high93.3Very high57 Ų5749.7 Ų49.747%0.47128%0.279SS..Hα-helixtrans-61.2-50.3176.500000111.7T98 I102 K103 D104T98-A100 VanDerWaalsContact C-N 3.25Å; T98-A100 PolarHBondContact O-N 2.89Å; A100-I102 VanDerWaalsContact C-N 3.27Å; A100-I102 PolarHBondContact O-N 3.17Å; A100-K103 PolarHBondContact O-N 2.86Å; A100-D104 WeakPolarHBondContact O-CB 3.46Å; A100-D104 PolarHBondContact O-N 3.23Å
101A93.8Very high93.3Very high16 Ų1651.9 Ų51.913%0.13229%0.289CS..Hα-helixtrans-59.6-37.3179.600000112.7F94 T98 N105F94-A101 HydrophobicContact CB-CB 4.32Å; T98-A101 PolarHBondContact O-N 3.16Å; T98-A101 WeakPolarHBondContact OG1-CB 3.4Å; T98-A101 PolarHBondContact OG1-N 3.46Å; A101-N105 PolarHBondContact O-N 3.09Å; A101-N105 PolarHBondContact O-ND2 3.48Å
102I95.4Very high93.5Very high1 Ų148.7 Ų48.71%0.00527%0.274CS..Hα-helixtrans-70-46176.9-64.6172.2000110.7L7 F15 L16 I64 F90 T98 E99 A100 N105 V106 V109L7-I102 HydrophobicContact CD2-CD1 3.74Å; L7-I102 HydrophobicContact CD2-CG2 4.29Å; F15-I102 HydrophobicContact CE2-CB 4.2Å; F15-I102 HydrophobicContact CE2-CD1 4.35Å; F15-I102 HydrophobicContact CE2-CG2 3.9Å; F15-I102 HydrophobicContact CZ-CD1 4.21Å; L16-I102 HydrophobicContact CD1-CG2 3.86Å; I64-I102 HydrophobicContact CD1-CD1 4.05Å; F90-I102 HydrophobicContact CD2-CD1 4.1Å; F90-I102 HydrophobicContact CD2-CG1 4.26Å; F90-I102 HydrophobicContact CE2-CD1 4.39Å; T98-I102 WeakPolarHBondContact O-CG1 3.37Å; T98-I102 PolarHBondContact O-N 2.81Å; E99-I102 PolarHBondContact O-N 3.03Å; A100-I102 VanDerWaalsContact C-N 3.27Å; A100-I102 PolarHBondContact O-N 3.17Å; I102-N105 CarbonylContact O-C 3.47Å; I102-N105 PolarHBondContact O-N 3.35Å; I102-V106 WeakPolarHBondContact O-CA 3.35Å; I102-V106 PolarHBondContact O-N 2.9Å; I102-V106 VanDerWaalsContact O-N 3.08Å; I102-V109 HydrophobicContact CG2-CG1 4.3Å; I102-V109 HydrophobicContact CG2-CG2 4.05Å
103K95.3Very high93.9Very high100 Ų10044.9 Ų44.944%0.43525%0.254SS..Hα-helixtrans-63.7-42.5179.1-77.4-180171.8175.80112.4F15 E99 A100 N105 V106F15-K103 HydrophobicContact CD2-CG 4.28Å; E99-K103 HydrophobicContact CG-CD 4.11Å; E99-K103 WeakPolarHBondContact O-CB 3.41Å; E99-K103 WeakPolarHBondContact O-CG 3.46Å; E99-K103 PolarHBondContact O-N 3.41Å; E99-K103 VanDerWaalsContact OE1-CE 3.3Å; E99-K103 WeakPolarHBondContact OE1-CE 3.48Å; E99-K103 IonicContact OE1-NZ 3.27Å; E99-K103 PolarHBondContact OE1-NZ 3.13Å; A100-K103 PolarHBondContact O-N 2.86Å; K103-N105 PolarHBondContact O-N 3.12Å; K103-V106 PolarHBondContact O-N 3.25Å
104D93.8Very high94Very high135 Ų13548.8 Ų48.872%0.72227%0.273SS*.Hα-helixtrans-64.5-22.9178.8-69.5-14.3000112.4A100A100-D104 WeakPolarHBondContact O-CB 3.46Å; A100-D104 PolarHBondContact O-N 3.23Å
105N94.3Very high94.1Very high41 Ų4150.4 Ų50.422%0.21928%0.281CS..THydrogen-bonded Turntrans-119.126.2-178.3-61.5-81000113.1F94 A101 I102 K103 V107 V108 V109 P137F94-N105 HydrophobicContact CD1-CB 3.73Å; F94-N105 HydrophobicContact CE1-CB 3.37Å; F94-N105 HydrophobicContact CG-CB 4.45Å; F94-N105 HydrophobicContact CZ-CB 3.82Å; A101-N105 PolarHBondContact O-N 3.09Å; A101-N105 PolarHBondContact O-ND2 3.48Å; I102-N105 CarbonylContact O-C 3.47Å; I102-N105 PolarHBondContact O-N 3.35Å; K103-N105 PolarHBondContact O-N 3.12Å; N105-V107 PolarHBondContact O-N 3.08Å; N105-V107 VanDerWaalsContact O-N 3.08Å; N105-V108 PolarHBondContact O-N 2.97Å; N105-V109 WeakPolarHBondContact O-CG2 3.44Å; N105-V109 PolarHBondContact O-N 3.04Å; N105-P137 VanDerWaalsContact OD1-CG 3.3Å; N105-P137 WeakPolarHBondContact OD1-CG 3.21Å
106V94.9Very high94.4Very high58 Ų5848.5 Ų48.535%0.35226%0.261SS..Hα-helixtrans-54.2-35.7-169.968.90000114.1L16 I102 K103 V109 Y110L16-V106 HydrophobicContact CD1-CG2 4.32Å; I102-V106 WeakPolarHBondContact O-CA 3.35Å; I102-V106 PolarHBondContact O-N 2.9Å; I102-V106 VanDerWaalsContact O-N 3.08Å; K103-V106 PolarHBondContact O-N 3.25Å; V106-V109 WeakPolarHBondContact O-CB 3.37Å; V106-V109 PolarHBondContact O-N 3.08Å; V106-Y110 HydrophobicContact CG2-CD2 3.81Å; V106-Y110 HydrophobicContact CG2-CE2 3.53Å; V106-Y110 WeakPolarHBondContact O-CD2 3.43Å; V106-Y110 PolarHBondContact O-N 3.02Å
107V93.6Very high94.7Very high97 Ų9744 Ų4459%0.58823%0.233SC*.Hα-helixtrans-63.4-51.2177.7178.50000110.7N105 V109 Y110 E111N105-V107 PolarHBondContact O-N 3.08Å; N105-V107 VanDerWaalsContact O-N 3.08Å; V107-V109 VanDerWaalsContact C-N 3.27Å; V107-V109 PolarHBondContact O-N 3.39Å; V107-Y110 PolarHBondContact O-N 3.02Å; V107-E111 WeakPolarHBondContact O-CG 3.42Å; V107-E111 PolarHBondContact O-N 3.36Å
108V93.6Very high94.8Very high6 Ų648.6 Ų48.64%0.03626%0.258CS..Hα-helixtrans-64.3-35.6178.8-178.50000110.6Y93 F94 N105 E111 L112 I134 P137Y93-V108 HydrophobicContact CD1-CG1 4.09Å; Y93-V108 HydrophobicContact CE1-CG1 4.37Å; F94-V108 HydrophobicContact CE1-CB 4.23Å; F94-V108 HydrophobicContact CE1-CG1 4Å; F94-V108 HydrophobicContact CZ-CB 4.09Å; F94-V108 HydrophobicContact CZ-CG1 3.82Å; N105-V108 PolarHBondContact O-N 2.97Å; V108-E111 PolarHBondContact O-N 3.36Å; V108-L112 HydrophobicContact CG1-CD1 4Å; V108-L112 HydrophobicContact CG1-CG 4.29Å; V108-L112 WeakPolarHBondContact O-CB 3.21Å; V108-L112 WeakPolarHBondContact O-CG 3.42Å; V108-L112 PolarHBondContact O-N 3.18Å; V108-I134 HydrophobicContact CG1-CG2 3.79Å; V108-P137 HydrophobicContact CG2-CG 4.5Å
109V96.4Very high94.6Very high0 Ų049.8 Ų49.80%026%0.263CS..Hα-helixtrans-59.5-47.3174.3167.70000111.2L16 F90 F94 I102 N105 V106 V107 L112 L113L16-V109 HydrophobicContact CD1-CG1 3.64Å; F90-V109 HydrophobicContact CE1-CG1 4.1Å; F90-V109 HydrophobicContact CE1-CG2 4.43Å; F90-V109 HydrophobicContact CE2-CG1 4.18Å; F90-V109 HydrophobicContact CZ-CB 4.47Å; F90-V109 HydrophobicContact CZ-CG1 3.58Å; F90-V109 HydrophobicContact CZ-CG2 4.45Å; F94-V109 HydrophobicContact CE2-CG2 3.6Å; F94-V109 HydrophobicContact CZ-CG2 3.84Å; I102-V109 HydrophobicContact CG2-CG1 4.3Å; I102-V109 HydrophobicContact CG2-CG2 4.05Å; N105-V109 WeakPolarHBondContact O-CG2 3.44Å; N105-V109 PolarHBondContact O-N 3.04Å; V106-V109 WeakPolarHBondContact O-CB 3.37Å; V106-V109 PolarHBondContact O-N 3.08Å; V107-V109 VanDerWaalsContact C-N 3.27Å; V107-V109 PolarHBondContact O-N 3.39Å; V109-L112 PolarHBondContact O-N 2.92Å; V109-L113 HydrophobicContact CG1-CD1 4.02Å; V109-L113 HydrophobicContact CG1-CG 4.47Å; V109-L113 WeakPolarHBondContact O-CB 3.44Å; V109-L113 VanDerWaalsContact O-CG 3.29Å; V109-L113 WeakPolarHBondContact O-CG 3.4Å; V109-L113 PolarHBondContact O-N 2.79Å
110Y96.6Very high94.3Very high88 Ų8847.1 Ų47.135%0.34525%0.25SS..Hα-helixtrans-65.9-41.2176.9-81.1-64000112.7E17 K18 V106 V107 L112 L113 E114E17-Y110 WeakPolarHBondContact O-CE1 3.41Å; E17-Y110 PolarHBondContact O-OH 2.81Å; K18-Y110 HydrophobicContact CB-CE1 4.23Å; K18-Y110 HydrophobicContact CD-CD1 3.96Å; K18-Y110 HydrophobicContact CD-CE1 4.11Å; V106-Y110 HydrophobicContact CG2-CD2 3.81Å; V106-Y110 HydrophobicContact CG2-CE2 3.53Å; V106-Y110 WeakPolarHBondContact O-CD2 3.43Å; V106-Y110 PolarHBondContact O-N 3.02Å; V107-Y110 PolarHBondContact O-N 3.02Å; Y110-L112 VanDerWaalsContact C-N 3.32Å; Y110-L112 PolarHBondContact O-N 2.88Å; Y110-L113 PolarHBondContact O-N 2.75Å; Y110-E114 WeakPolarHBondContact O-CB 3.23Å; Y110-E114 PolarHBondContact O-N 2.95Å
111E94.9Very high94.2Very high46 Ų4649.8 Ų49.822%0.21525%0.251CS..Hα-helixtrans-56.2-48.1173.5-69.3173.5159.800110.4V107 V108 E114 E115 I134V107-E111 WeakPolarHBondContact O-CG 3.42Å; V107-E111 PolarHBondContact O-N 3.36Å; V108-E111 PolarHBondContact O-N 3.36Å; E111-E114 PolarHBondContact O-N 3.4Å; E111-E115 PolarHBondContact O-N 3.34Å; E111-I134 HydrophobicContact CB-CD1 3.74Å; E111-I134 HydrophobicContact CB-CG1 4.08Å; E111-I134 HydrophobicContact CB-CG2 4.15Å; E111-I134 VanDerWaalsContact O-CD1 3.3Å; E111-I134 WeakPolarHBondContact O-CD1 3.37Å
112L95.8Very high94.2Very high0 Ų051 Ų510%026%0.258CS..Hα-helixtrans-62.8-46.4179.5-71.8167.7000111.9T89 F90 Y93 F94 V108 V109 Y110 E114 E115 M116 L130 I134T89-L112 HydrophobicContact CG2-CD1 4.14Å; T89-L112 HydrophobicContact CG2-CD2 4.04Å; F90-L112 HydrophobicContact CD1-CD1 4.36Å; F90-L112 HydrophobicContact CE1-CD1 4.43Å; Y93-L112 HydrophobicContact CD1-CD1 3.87Å; Y93-L112 HydrophobicContact CD1-CD2 4.44Å; Y93-L112 HydrophobicContact CD2-CD1 4.33Å; Y93-L112 HydrophobicContact CE1-CD1 4.07Å; Y93-L112 HydrophobicContact CE1-CD2 3.81Å; Y93-L112 HydrophobicContact CE1-CG 4.37Å; Y93-L112 HydrophobicContact CE2-CD1 4.5Å; Y93-L112 HydrophobicContact CE2-CD2 3.99Å; Y93-L112 HydrophobicContact CG-CD1 3.99Å; F94-L112 HydrophobicContact CE2-CD1 4.26Å; F94-L112 HydrophobicContact CZ-CD1 4.01Å; V108-L112 HydrophobicContact CG1-CD1 4Å; V108-L112 HydrophobicContact CG1-CG 4.29Å; V108-L112 WeakPolarHBondContact O-CB 3.21Å; V108-L112 WeakPolarHBondContact O-CG 3.42Å; V108-L112 PolarHBondContact O-N 3.18Å; V109-L112 PolarHBondContact O-N 2.92Å; Y110-L112 VanDerWaalsContact C-N 3.32Å; Y110-L112 PolarHBondContact O-N 2.88Å; L112-E114 PolarHBondContact O-N 3.37Å; L112-E115 PolarHBondContact O-N 3.04Å; L112-M116 VanDerWaalsContact O-CB 3.28Å; L112-M116 WeakPolarHBondContact O-CB 3.27Å; L112-M116 WeakPolarHBondContact O-CG 3.11Å; L112-M116 PolarHBondContact O-N 3.44Å; L112-L130 HydrophobicContact CD2-CB 4.23Å; L112-L130 HydrophobicContact CD2-CD2 4.37Å; L112-I134 HydrophobicContact CB-CD1 4.48Å; L112-I134 HydrophobicContact CD2-CB 4.2Å; L112-I134 HydrophobicContact CD2-CD1 3.81Å; L112-I134 HydrophobicContact CD2-CG2 4.28Å; L112-I134 HydrophobicContact CG-CD1 4.15Å; L112-I134 HydrophobicContact CG-CG2 4.37Å
113L96.8Very high93.8Very high0 Ų055.9 Ų55.90%028%0.284CS..Hα-helixtrans-63.5-31.1179.4-73.4178.2000112.7L5 L16 K18 W20 V86 F90 V109 Y110 L117L5-L113 HydrophobicContact CD2-CD1 4.29Å; L5-L113 HydrophobicContact CD2-CD2 3.79Å; L16-L113 HydrophobicContact CD2-CD1 4.14Å; K18-L113 HydrophobicContact CB-CD1 4.08Å; K18-L113 HydrophobicContact CG-CB 4.37Å; K18-L113 HydrophobicContact CG-CD1 4.47Å; W20-L113 HydrophobicContact CZ2-CB 3.96Å; W20-L113 HydrophobicContact CZ2-CD2 4.3Å; W20-L113 WeakPolarHBondContact CZ2-O 3.39Å; W20-L113 PolarHBondContact NE1-O 2.9Å; V86-L113 HydrophobicContact CG1-CD2 3.79Å; V86-L113 HydrophobicContact CG2-CD2 4.13Å; F90-L113 HydrophobicContact CE1-CD2 4.46Å; F90-L113 HydrophobicContact CE1-CG 4.49Å; F90-L113 HydrophobicContact CZ-CD1 4.33Å; F90-L113 HydrophobicContact CZ-CD2 3.99Å; F90-L113 HydrophobicContact CZ-CG 4.07Å; V109-L113 HydrophobicContact CG1-CD1 4.02Å; V109-L113 HydrophobicContact CG1-CG 4.47Å; V109-L113 WeakPolarHBondContact O-CB 3.44Å; V109-L113 VanDerWaalsContact O-CG 3.29Å; V109-L113 WeakPolarHBondContact O-CG 3.4Å; V109-L113 PolarHBondContact O-N 2.79Å; Y110-L113 PolarHBondContact O-N 2.75Å; L113-L117 PolarHBondContact O-N 2.65Å
114E94.6Very high93.4Very high97 Ų9751.6 Ų51.645%0.45327%0.266SS..Hα-helixtrans-70.2-47.1174.1-163.369.3-168.900111.3K18 Y110 E111 L112 M116 L117K18-E114 WeakPolarHBondContact CE-OE2 3.45Å; K18-E114 IonicContact NZ-OE2 2.77Å; K18-E114 PolarHBondContact NZ-OE2 3.47Å; Y110-E114 WeakPolarHBondContact O-CB 3.23Å; Y110-E114 PolarHBondContact O-N 2.95Å; E111-E114 PolarHBondContact O-N 3.4Å; L112-E114 PolarHBondContact O-N 3.37Å; E114-M116 PolarHBondContact O-N 3.26Å; E114-L117 PolarHBondContact O-N 2.91Å; E114-L117 VanDerWaalsContact O-O 3.13Å
115E93.6Very high93.2Very high68 Ų6847 Ų4732%0.31824%0.243SC..Hα-helixtrans-70.1-31.6179.9-69.6-60146.900113.2E111 L112 A124 L130 I134E111-E115 PolarHBondContact O-N 3.34Å; L112-E115 PolarHBondContact O-N 3.04Å; E115-A124 PolarHBondContact O-N 3.39Å; E115-L130 HydrophobicContact CB-CD2 3.93Å; E115-I134 HydrophobicContact CB-CD1 3.99Å; E115-I134 HydrophobicContact CG-CD1 3.49Å; E115-I134 VanDerWaalsContact CG-CD1 3.49Å; E115-I134 HydrophobicContact CG-CG1 4.27Å
116M95.5Very high93Very high0 Ų047.4 Ų47.40%024%0.244CC..Hα-helixtrans-73.2-27-179.5-73.3-179.679.400113.2F82 R85 V86 T89 L112 E114 P122 L123 A124 T125 L130F82-M116 HydrophobicContact CE2-CB 4.17Å; F82-M116 HydrophobicContact CZ-CB 4.46Å; R85-M116 HydrophobicContact CB-CE 4.23Å; V86-M116 HydrophobicContact CB-CE 4.44Å; V86-M116 HydrophobicContact CG2-CE 3.86Å; V86-M116 HydrophobicContact CG2-SD 4.25Å; T89-M116 HydrophobicContact CG2-SD 3.96Å; T89-M116 WeakPolarHBondContact OG1-CE 3.42Å; L112-M116 VanDerWaalsContact O-CB 3.28Å; L112-M116 WeakPolarHBondContact O-CB 3.27Å; L112-M116 WeakPolarHBondContact O-CG 3.11Å; L112-M116 PolarHBondContact O-N 3.44Å; E114-M116 PolarHBondContact O-N 3.26Å; M116-P122 WeakPolarHBondContact O-CA 3.39Å; M116-L123 PolarHBondContact O-N 3.23Å; M116-A124 WeakPolarHBondContact CA-O 3.21Å; M116-A124 WeakPolarHBondContact CG-O 3.45Å; M116-T125 HydrophobicContact CE-CG2 4.25Å; M116-L130 HydrophobicContact CG-CD1 3.8Å; M116-L130 HydrophobicContact CG-CD2 4.04Å; M116-L130 HydrophobicContact SD-CD1 4.11Å
117L95Very high92.5Very high0 Ų045.9 Ų45.90%024%0.236CC..EExtended strand (participates in β ladder)trans-144.6117.1-170.9-16779.6000111.3I2 W20 F82 L113 E114 F121 P122I2-L117 HydrophobicContact CB-CD2 3.87Å; I2-L117 HydrophobicContact CD1-CD1 4.16Å; I2-L117 HydrophobicContact CD1-CD2 4.37Å; I2-L117 HydrophobicContact CG2-CD2 3.79Å; W20-L117 HydrophobicContact CD2-CD2 3.51Å; W20-L117 HydrophobicContact CD2-CG 4.37Å; W20-L117 HydrophobicContact CE3-CD2 3.61Å; W20-L117 HydrophobicContact CG-CD2 4Å; W20-L117 HydrophobicContact CG-CG 4.49Å; W20-L117 HydrophobicContact CH2-CD2 3.85Å; W20-L117 HydrophobicContact CZ2-CB 4.14Å; W20-L117 HydrophobicContact CZ2-CD2 3.75Å; W20-L117 HydrophobicContact CZ3-CD2 3.77Å; W20-L117 PolarHBondContact NE1-O 2.95Å; W20-L117 VanDerWaalsContact NE1-O 3.12Å; F82-L117 HydrophobicContact CD2-CD1 4.32Å; F82-L117 HydrophobicContact CE1-CD1 4.16Å; F82-L117 HydrophobicContact CE1-CD2 4.09Å; F82-L117 HydrophobicContact CE2-CB 4.08Å; F82-L117 HydrophobicContact CE2-CD1 3.83Å; F82-L117 HydrophobicContact CE2-CG 4.49Å; F82-L117 HydrophobicContact CZ-CB 3.71Å; F82-L117 HydrophobicContact CZ-CD1 3.77Å; F82-L117 HydrophobicContact CZ-CD2 4.03Å; F82-L117 HydrophobicContact CZ-CG 4.07Å; L113-L117 PolarHBondContact O-N 2.65Å; E114-L117 PolarHBondContact O-N 2.91Å; E114-L117 VanDerWaalsContact O-O 3.13Å; L117-F121 WeakPolarHBondContact CA-O 3.43Å; L117-P122 HydrophobicContact CD1-CB 4.32Å; L117-P122 HydrophobicContact CD1-CG 3.82Å; L117-P122 VanDerWaalsContact CD1-N 3.29Å
118D91.7Very high92.1Very high99 Ų9942 Ų4253%0.52921%0.212SC..EExtended strand (participates in β ladder)trans-111.8125.4177.3-178.816.5000110.7G120 F121D118-G120 PolarHBondContact O-N 2.98Å; D118-F121 PolarHBondContact N-O 3.4Å; D118-F121 PolarHBondContact O-N 3.22Å
119N91.1Very high91.7Very high81 Ų8142 Ų4243%0.43321%0.211SC..THydrogen-bonded Turntrans47.831.3-179-167.620.4000113.9K21 F121K21-N119 VanDerWaalsContact CE-OD1 3.27Å; K21-N119 WeakPolarHBondContact CE-OD1 3.23Å; N119-F121 WeakPolarHBondContact O-CD2 3.18Å
120G90Very high91.3Very high0 Ų042 Ų420%021%0.211CC..THydrogen-bonded Turntrans86.55.2-178.500000116.5M1 I2 D118M1-G120 WeakPolarHBondContact CB-O 3.4Å; M1-G120 WeakPolarHBondContact CE-O 3.48Å; I2-G120 PolarHBondContact N-O 3.11Å; I2-G120 VanDerWaalsContact N-O 3.17Å; I2-G120 WeakPolarHBondContact O-CA 3.27Å; D118-G120 PolarHBondContact O-N 2.98Å
121F92Very high90.8Very high112 Ų11239.7 Ų39.749%0.49120%0.203SC..EExtended strand (participates in β ladder)trans-108.3128176.2-64-93.9000110.9M1 L117 D118 N119 L123M1-F121 HydrophobicContact CB-CE2 4.43Å; M1-F121 HydrophobicContact CB-CZ 4.46Å; M1-F121 HydrophobicContact CE-CB 4.3Å; M1-F121 HydrophobicContact CE-CD1 3.32Å; M1-F121 HydrophobicContact CE-CE1 3.72Å; M1-F121 HydrophobicContact CE-CG 3.82Å; M1-F121 HydrophobicContact CG-CD1 3.93Å; M1-F121 HydrophobicContact CG-CD2 4.21Å; M1-F121 HydrophobicContact CG-CE1 3.44Å; M1-F121 VanDerWaalsContact CG-CE1 3.44Å; M1-F121 HydrophobicContact CG-CE2 3.76Å; M1-F121 HydrophobicContact CG-CG 4.29Å; M1-F121 HydrophobicContact CG-CZ 3.37Å; M1-F121 HydrophobicContact SD-CD1 3.92Å; M1-F121 HydrophobicContact SD-CE1 3.64Å; M1-F121 HydrophobicContact SD-CZ 4.2Å; L117-F121 WeakPolarHBondContact CA-O 3.43Å; D118-F121 PolarHBondContact N-O 3.4Å; D118-F121 PolarHBondContact O-N 3.22Å; N119-F121 WeakPolarHBondContact O-CD2 3.18Å; F121-L123 PolarHBondContact O-N 3.05Å
122P92.7Very high90.2Very high42 Ų4239.6 Ų39.627%0.27320%0.203SC..EExtended strand (participates in β ladder)trans-60.6132.5175.2-24.536.1000110.9F78 F82 M116 L117 T125F78-P122 HydrophobicContact CE1-CG 4.12Å; F78-P122 HydrophobicContact CE2-CG 4.1Å; F78-P122 HydrophobicContact CZ-CG 3.54Å; F82-P122 HydrophobicContact CB-CG 4.37Å; F82-P122 HydrophobicContact CD2-CB 3.89Å; F82-P122 HydrophobicContact CD2-CG 3.72Å; F82-P122 HydrophobicContact CE2-CB 4.31Å; F82-P122 HydrophobicContact CE2-CG 4.35Å; F82-P122 HydrophobicContact CG-CG 4.18Å; M116-P122 WeakPolarHBondContact O-CA 3.39Å; L117-P122 HydrophobicContact CD1-CB 4.32Å; L117-P122 HydrophobicContact CD1-CG 3.82Å; L117-P122 VanDerWaalsContact CD1-N 3.29Å; P122-T125 HydrophobicContact CB-CG2 4.34Å
123L87.8Confident89.7Confident104 Ų10440.4 Ų40.455%0.54521%0.207SC..  trans-117.9-82.2-177.9-172.875000110.8M116 F121M116-L123 PolarHBondContact O-N 3.23Å; F121-L123 PolarHBondContact O-N 3.05Å
124A87.5Confident89.3Confident9 Ų940.6 Ų40.67%0.07421%0.208CC..  trans-103.996.9-17800000111.2E115 M116 L130E115-A124 PolarHBondContact O-N 3.39Å; M116-A124 WeakPolarHBondContact CA-O 3.21Å; M116-A124 WeakPolarHBondContact CG-O 3.45Å; A124-L130 HydrophobicContact CB-CD2 4.27Å; A124-L130 WeakPolarHBondContact O-CD2 3.29Å
125T89.9Confident88.8Confident39 Ų3940.1 Ų40.124%0.23921%0.205CC..  trans-107.6-0.217958.40000113.8F82 M116 P122F82-T125 HydrophobicContact CD2-CG2 4.39Å; F82-T125 HydrophobicContact CE2-CG2 4.48Å; M116-T125 HydrophobicContact CE-CG2 4.25Å; P122-T125 HydrophobicContact CB-CG2 4.34Å
126E88Confident88.4Confident50 Ų5038.6 Ų38.623%0.23420%0.2CC..  trans-80.8117.7179.1-69.2-60.7150.200110.5N128 I129 L130 P166 W167E126-N128 VanDerWaalsContact C-N 3.28Å; E126-N128 PolarHBondContact O-N 2.84Å; E126-I129 HydrophobicContact CB-CB 4.23Å; E126-I129 HydrophobicContact CB-CG1 3.96Å; E126-I129 WeakPolarHBondContact O-CB 3.02Å; E126-I129 PolarHBondContact O-N 2.92Å; E126-L130 PolarHBondContact O-N 3.03Å; E126-P166 HydrophobicContact CG-CB 4.39Å; E126-W167 WeakPolarHBondContact OE2-CB 3.4Å
127S85.9Confident87.5Confident26 Ų2639.9 Ų39.918%0.18221%0.209CC..Hα-helixtrans-56.9-40.9-174.51800000113.1D92 I129 L130 K131D92-S127 WeakPolarHBondContact OD2-CB 3.36Å; D92-S127 PolarHBondContact OD2-OG 3.09Å; S127-I129 VanDerWaalsContact C-N 3.28Å; S127-I129 PolarHBondContact O-N 2.99Å; S127-L130 PolarHBondContact O-N 2.91Å; S127-K131 WeakPolarHBondContact O-CB 3.41Å; S127-K131 VanDerWaalsContact O-CG 3.29Å; S127-K131 WeakPolarHBondContact O-CG 3.47Å; S127-K131 PolarHBondContact O-N 2.9Å
128N83.8Confident86.5Confident15 Ų1543.7 Ų43.78%0.0823%0.232CC..Hα-helixtrans-62.7-34.2179.3-82-32.3000112.8E126 W167 R169 D254E126-N128 VanDerWaalsContact C-N 3.28Å; E126-N128 PolarHBondContact O-N 2.84Å; N128-W167 PolarHBondContact ND2-O 2.9Å; N128-R169 HydrophobicContact CB-CG 4.1Å; N128-R169 WeakPolarHBondContact O-CD 2.96Å; N128-D254 PolarHBondContact ND2-N 3.46Å; N128-D254 PolarHBondContact ND2-O 3.31Å
129I85.2Confident85.1Confident5 Ų545.4 Ų45.43%0.02624%0.24CC..Hα-helixtrans-73.6-47174.9-61.9-59.5000110.3E126 S127 K131 E132 L133 P158 P166E126-I129 HydrophobicContact CB-CB 4.23Å; E126-I129 HydrophobicContact CB-CG1 3.96Å; E126-I129 WeakPolarHBondContact O-CB 3.02Å; E126-I129 PolarHBondContact O-N 2.92Å; S127-I129 VanDerWaalsContact C-N 3.28Å; S127-I129 PolarHBondContact O-N 2.99Å; I129-K131 PolarHBondContact O-N 3.45Å; I129-E132 WeakPolarHBondContact O-CB 3.35Å; I129-E132 PolarHBondContact O-N 3.2Å; I129-L133 HydrophobicContact CG2-CD1 4.09Å; I129-L133 PolarHBondContact O-N 2.63Å; I129-L133 VanDerWaalsContact O-N 3.15Å; I129-P158 HydrophobicContact CD1-CB 4.25Å; I129-P158 HydrophobicContact CG2-CB 4.1Å; I129-P158 HydrophobicContact CG2-CG 4.02Å; I129-P166 WeakPolarHBondContact CD1-O 3.42Å; I129-P166 WeakPolarHBondContact CG1-O 3.37Å
130L88.8Confident83.6Confident0 Ų048.1 Ų48.10%025%0.253CS..Hα-helixtrans-55.4-42176.8-71.3171.1000110.7T89 Y93 L112 E115 M116 A124 E126 S127 E132 L133 I134T89-L130 HydrophobicContact CG2-CD1 3.76Å; Y93-L130 WeakPolarHBondContact OH-CB 3.24Å; Y93-L130 PolarHBondContact OH-O 2.84Å; L112-L130 HydrophobicContact CD2-CB 4.23Å; L112-L130 HydrophobicContact CD2-CD2 4.37Å; E115-L130 HydrophobicContact CB-CD2 3.93Å; M116-L130 HydrophobicContact CG-CD1 3.8Å; M116-L130 HydrophobicContact CG-CD2 4.04Å; M116-L130 HydrophobicContact SD-CD1 4.11Å; A124-L130 HydrophobicContact CB-CD2 4.27Å; A124-L130 WeakPolarHBondContact O-CD2 3.29Å; E126-L130 PolarHBondContact O-N 3.03Å; S127-L130 PolarHBondContact O-N 2.91Å; L130-E132 PolarHBondContact O-N 2.48Å; L130-L133 PolarHBondContact O-N 3.33Å; L130-L133 VanDerWaalsContact O-N 3.14Å; L130-I134 CarbonylContact O-C 3.48Å; L130-I134 WeakPolarHBondContact O-CA 3.27Å; L130-I134 PolarHBondContact O-N 3.35Å; L130-I134 VanDerWaalsContact O-O 3.11Å
131K86.3Confident82.3Confident41 Ų4150.8 Ų50.818%0.17826%0.264CS..Hα-helixtrans-68.7-16.9-179.3-74.3176.1171.21730114.2D92 Y93 S127 I129 P136D92-K131 IonicContact OD1-NZ 3.12Å; D92-K131 PolarHBondContact OD1-NZ 2.63Å; D92-K131 VanDerWaalsContact OD2-CE 3.24Å; D92-K131 WeakPolarHBondContact OD2-CE 3.23Å; D92-K131 IonicContact OD2-NZ 2.63Å; D92-K131 PolarHBondContact OD2-NZ 3.12Å; Y93-K131 HydrophobicContact CE1-CG 4.49Å; Y93-K131 HydrophobicContact CE2-CD 4.46Å; Y93-K131 HydrophobicContact CE2-CG 3.63Å; Y93-K131 WeakPolarHBondContact OH-CA 3.48Å; Y93-K131 WeakPolarHBondContact OH-CG 3.35Å; Y93-K131 PolarHBondContact OH-N 2.76Å; S127-K131 WeakPolarHBondContact O-CB 3.41Å; S127-K131 VanDerWaalsContact O-CG 3.29Å; S127-K131 WeakPolarHBondContact O-CG 3.47Å; S127-K131 PolarHBondContact O-N 2.9Å; I129-K131 PolarHBondContact O-N 3.45Å; K131-P136 HydrophobicContact CB-CG 4.49Å; K131-P136 HydrophobicContact CD-CG 4.13Å; K131-P136 HydrophobicContact CG-CG 3.78Å
132E81.9Confident80.8Confident44 Ų4449 Ų4921%0.20626%0.262CS..Hα-helixtrans-81.5-44.4169.2-70.5-173.5166.100111.2I129 L130 P158 R169I129-E132 WeakPolarHBondContact O-CB 3.35Å; I129-E132 PolarHBondContact O-N 3.2Å; L130-E132 PolarHBondContact O-N 2.48Å; E132-P158 HydrophobicContact CB-CB 4.4Å; E132-P158 HydrophobicContact CB-CG 4.17Å; E132-P158 WeakPolarHBondContact OE2-CA 3.27Å; E132-P158 VanDerWaalsContact OE2-CB 3.24Å; E132-P158 WeakPolarHBondContact OE2-CB 3.48Å; E132-R169 HydrophobicContact CG-CG 4.18Å; E132-R169 VanDerWaalsContact OE1-CB 3.27Å; E132-R169 WeakPolarHBondContact OE1-CB 3.2Å; E132-R169 WeakPolarHBondContact OE1-CD 3.4Å; E132-R169 WeakPolarHBondContact OE1-CG 3.3Å
133L84.8Confident79.2Confident17 Ų1752.3 Ų52.39%0.08928%0.275CS..Hα-helixtrans-66.9-48.8178.6-69.9168.8000112.1I129 L130 V153 G154 P158I129-L133 HydrophobicContact CG2-CD1 4.09Å; I129-L133 PolarHBondContact O-N 2.63Å; I129-L133 VanDerWaalsContact O-N 3.15Å; L130-L133 PolarHBondContact O-N 3.33Å; L130-L133 VanDerWaalsContact O-N 3.14Å; L133-V153 CarbonylContact O-C 3.55Å; L133-V153 VanDerWaalsContact O-CA 3.29Å; L133-V153 WeakPolarHBondContact O-CA 3.47Å; L133-G154 PolarHBondContact O-N 2.63Å; L133-P158 HydrophobicContact CD1-CG 4.1Å; L133-P158 HydrophobicContact CD2-CG 3.45Å; L133-P158 VanDerWaalsContact CD2-CG 3.45Å; L133-P158 HydrophobicContact CG-CG 3.43Å; L133-P158 VanDerWaalsContact CG-CG 3.43Å
134I89Confident78Confident3 Ų351 Ų512%0.01527%0.271CS..BIsolated β-bridgetrans-129.397.9-173.9-58.9159.5000105.8Y93 V108 E111 L112 E115 L130Y93-I134 HydrophobicContact CE1-CG2 4.37Å; Y93-I134 WeakPolarHBondContact CE1-O 3.21Å; Y93-I134 PolarHBondContact OH-O 3.47Å; V108-I134 HydrophobicContact CG1-CG2 3.79Å; E111-I134 HydrophobicContact CB-CD1 3.74Å; E111-I134 HydrophobicContact CB-CG1 4.08Å; E111-I134 HydrophobicContact CB-CG2 4.15Å; E111-I134 VanDerWaalsContact O-CD1 3.3Å; E111-I134 WeakPolarHBondContact O-CD1 3.37Å; L112-I134 HydrophobicContact CB-CD1 4.48Å; L112-I134 HydrophobicContact CD2-CB 4.2Å; L112-I134 HydrophobicContact CD2-CD1 3.81Å; L112-I134 HydrophobicContact CD2-CG2 4.28Å; L112-I134 HydrophobicContact CG-CD1 4.15Å; L112-I134 HydrophobicContact CG-CG2 4.37Å; E115-I134 HydrophobicContact CB-CD1 3.99Å; E115-I134 HydrophobicContact CG-CD1 3.49Å; E115-I134 VanDerWaalsContact CG-CD1 3.49Å; E115-I134 HydrophobicContact CG-CG1 4.27Å; L130-I134 CarbonylContact O-C 3.48Å; L130-I134 WeakPolarHBondContact O-CA 3.27Å; L130-I134 PolarHBondContact O-N 3.35Å; L130-I134 VanDerWaalsContact O-O 3.11Å
135K84.9Confident77Confident88 Ų8851.6 Ų51.638%0.38327%0.273SS..PPolyproline II helixtrans-76.9140.2-172.2-50.6-163-157.5154.40110.1R141 N152K135-R141 VanDerWaalsContact CB-CZ 3.4Å; K135-R141 VanDerWaalsContact CD-NH1 3.26Å; K135-R141 VanDerWaalsContact CD-NH2 3.27Å; K135-N152 PolarHBondContact N-O 2.86Å
136P84.1Confident75.8Confident35 Ų3555.3 Ų55.323%0.22730%0.296CS..PPolyproline II helixtrans-56.7142.5-177.9-27.734.3000113.5Y93 K131 T138Y93-P136 HydrophobicContact CD1-CB 4.06Å; Y93-P136 HydrophobicContact CD1-CG 4.01Å; Y93-P136 HydrophobicContact CE1-CB 4.32Å; Y93-P136 HydrophobicContact CE1-CG 3.88Å; Y93-P136 HydrophobicContact CG-CG 4.48Å; K131-P136 HydrophobicContact CB-CG 4.49Å; K131-P136 HydrophobicContact CD-CG 4.13Å; K131-P136 HydrophobicContact CG-CG 3.78Å; P136-T138 PolarHBondContact O-N 2.87Å
137P76.9Confident74.7Confident28 Ų2859.8 Ų59.818%0.18232%0.32CS..PPolyproline II helixtrans-68.4126.5174.427.6-31000109.5F94 N105 V108F94-P137 HydrophobicContact CD1-CG 4.1Å; F94-P137 HydrophobicContact CE1-CG 3.85Å; N105-P137 VanDerWaalsContact OD1-CG 3.3Å; N105-P137 WeakPolarHBondContact OD1-CG 3.21Å; V108-P137 HydrophobicContact CG2-CG 4.5Å
138T73.8Confident73.8Confident79 Ų7962.8 Ų62.849%0.48534%0.337SS..  trans-124.3150.617060.10000108.8P136 L140 R141 T142P136-T138 PolarHBondContact O-N 2.87Å; T138-L140 VanDerWaalsContact C-N 3.25Å; T138-L140 PolarHBondContact O-N 3.21Å; T138-L140 VanDerWaalsContact O-N 3.17Å; T138-R141 CarbonylContact O-C 3.52Å; T138-R141 WeakPolarHBondContact O-CA 3.35Å; T138-R141 WeakPolarHBondContact O-CB 3.39Å; T138-R141 PolarHBondContact O-N 3.42Å; T138-R141 VanDerWaalsContact OG1-CB 3.29Å; T138-R141 WeakPolarHBondContact OG1-CB 3.29Å; T138-T142 PolarHBondContact O-N 2.94Å; T138-T142 PolarHBondContact O-OG1 3.24Å
139I63.7Low73Confident135 Ų13565.3 Ų65.369%0.69237%0.367SS*.Hα-helixtrans-50.6-46.9-175.4-61.8172.2000111.6R141 T142 M143I139-R141 VanDerWaalsContact C-N 3.28Å; I139-R141 PolarHBondContact O-N 3.37Å; I139-T142 PolarHBondContact O-N 3.12Å; I139-M143 HydrophobicContact CG2-CE 3.95Å; I139-M143 WeakPolarHBondContact O-CG 3.39Å; I139-M143 PolarHBondContact O-N 3.01Å
140L58.3Low72.2Confident138 Ų13867.7 Ų67.772%0.72338%0.384SS*.Hα-helixtrans-61.8-37.5177.9-70.6170.7000112T138 V144T138-L140 VanDerWaalsContact C-N 3.25Å; T138-L140 PolarHBondContact O-N 3.21Å; T138-L140 VanDerWaalsContact O-N 3.17Å; L140-V144 VanDerWaalsContact O-CG2 3.27Å; L140-V144 WeakPolarHBondContact O-CG2 3.34Å; L140-V144 PolarHBondContact O-N 2.87Å
141R62.4Low71.2Confident56 Ų5672.1 Ų72.121%0.21141%0.411CS..Hα-helixtrans-77.4-37.7-178.1-171.8172.2-172.8170.1-9.1113.3K135 T138 I139 M143 V144 N145 N152K135-R141 VanDerWaalsContact CB-CZ 3.4Å; K135-R141 VanDerWaalsContact CD-NH1 3.26Å; K135-R141 VanDerWaalsContact CD-NH2 3.27Å; T138-R141 CarbonylContact O-C 3.52Å; T138-R141 WeakPolarHBondContact O-CA 3.35Å; T138-R141 WeakPolarHBondContact O-CB 3.39Å; T138-R141 PolarHBondContact O-N 3.42Å; T138-R141 VanDerWaalsContact OG1-CB 3.29Å; T138-R141 WeakPolarHBondContact OG1-CB 3.29Å; I139-R141 VanDerWaalsContact C-N 3.28Å; I139-R141 PolarHBondContact O-N 3.37Å; R141-M143 PolarHBondContact O-N 2.93Å; R141-V144 PolarHBondContact O-N 2.9Å; R141-N145 WeakPolarHBondContact O-CB 3.37Å; R141-N145 PolarHBondContact O-N 2.81Å; R141-N152 PolarHBondContact NE-OD1 3.21Å; R141-N152 PolarHBondContact NH2-O 3.42Å
142T62.1Low70.3Confident75 Ų7571.3 Ų71.346%0.4641%0.409SS..Hα-helixtrans-57.6-40.9172.7-51.10000109.9T138 I139 T146T138-T142 PolarHBondContact O-N 2.94Å; T138-T142 PolarHBondContact O-OG1 3.24Å; I139-T142 PolarHBondContact O-N 3.12Å; T142-T146 WeakPolarHBondContact O-CB 3.05Å; T142-T146 PolarHBondContact O-N 2.86Å; T142-T146 VanDerWaalsContact O-N 3.14Å; T142-T146 PolarHBondContact O-OG1 3.02Å
143M58.9Low69.9Low112 Ų11272.5 Ų72.555%0.55242%0.419SS*.Hα-helixtrans-65.3-47173.8-67.8178.6-18000112.6I139 R141 T146 I147I139-M143 HydrophobicContact CG2-CE 3.95Å; I139-M143 WeakPolarHBondContact O-CG 3.39Å; I139-M143 PolarHBondContact O-N 3.01Å; R141-M143 PolarHBondContact O-N 2.93Å; M143-T146 PolarHBondContact O-N 2.9Å; M143-I147 WeakPolarHBondContact O-CD1 3.4Å; M143-I147 VanDerWaalsContact O-CG1 3.27Å; M143-I147 WeakPolarHBondContact O-CG1 3.2Å; M143-I147 PolarHBondContact O-N 2.84Å
144V62.4Low68.8Low75 Ų7572.7 Ų72.746%0.45543%0.425SS..Hα-helixtrans-59-51.6177.9171.40000110.8L140 R141 T146 I147 T148L140-V144 VanDerWaalsContact O-CG2 3.27Å; L140-V144 WeakPolarHBondContact O-CG2 3.34Å; L140-V144 PolarHBondContact O-N 2.87Å; R141-V144 PolarHBondContact O-N 2.9Å; V144-T146 VanDerWaalsContact C-N 3.27Å; V144-T146 PolarHBondContact O-N 2.81Å; V144-I147 CarbonylContact O-C 3.52Å; V144-I147 WeakPolarHBondContact O-CA 3.26Å; V144-I147 PolarHBondContact O-N 3.02Å; V144-T148 HydrophobicContact CG1-CG2 4.07Å; V144-T148 PolarHBondContact O-N 3.42Å; V144-T148 PolarHBondContact O-OG1 2.72Å
145N65.6Low67.5Low23 Ų2382.3 Ų82.312%0.12347%0.47CS..Hα-helixtrans-58.6-37.4-179.9-72.4-4.9000112.8R141 I147 G149 S150 N152R141-N145 WeakPolarHBondContact O-CB 3.37Å; R141-N145 PolarHBondContact O-N 2.81Å; N145-I147 VanDerWaalsContact C-N 3.25Å; N145-I147 PolarHBondContact O-N 3.48Å; N145-G149 WeakPolarHBondContact O-CA 3.2Å; N145-G149 PolarHBondContact O-N 3.19Å; N145-S150 WeakPolarHBondContact CB-O 3.4Å; N145-S150 PolarHBondContact OD1-O 3.29Å; N145-S150 PolarHBondContact OD1-OG 2.87Å; N145-N152 PolarHBondContact ND2-OD1 2.86Å
146T65.3Low66.6Low116 Ų11686.1 Ų86.171%0.71249%0.489SS*.Hα-helixtrans-65.7-31.2176.6-53.90000111.8T142 M143 V144T142-T146 WeakPolarHBondContact O-CB 3.05Å; T142-T146 PolarHBondContact O-N 2.86Å; T142-T146 VanDerWaalsContact O-N 3.14Å; T142-T146 PolarHBondContact O-OG1 3.02Å; M143-T146 PolarHBondContact O-N 2.9Å; V144-T146 VanDerWaalsContact C-N 3.27Å; V144-T146 PolarHBondContact O-N 2.81Å
147I64.1Low65.6Low144 Ų14491.4 Ų91.474%0.73851%0.514SS*.Hα-helixtrans-86.7-37.3-178.9-64.4165.1000111.6M143 V144 N145M143-I147 WeakPolarHBondContact O-CD1 3.4Å; M143-I147 VanDerWaalsContact O-CG1 3.27Å; M143-I147 WeakPolarHBondContact O-CG1 3.2Å; M143-I147 PolarHBondContact O-N 2.84Å; V144-I147 CarbonylContact O-C 3.52Å; V144-I147 WeakPolarHBondContact O-CA 3.26Å; V144-I147 PolarHBondContact O-N 3.02Å; N145-I147 VanDerWaalsContact C-N 3.25Å; N145-I147 PolarHBondContact O-N 3.48Å
148T68.7Low64.9Low89 Ų8990.5 Ų90.555%0.54651%0.509SS..Hα-helixtrans-97.5-12-173.455.50000113.8V144 S150V144-T148 HydrophobicContact CG1-CG2 4.07Å; V144-T148 PolarHBondContact O-N 3.42Å; V144-T148 PolarHBondContact O-OG1 2.72Å; T148-S150 PolarHBondContact O-N 3.08Å; T148-S150 PolarHBondContact OG1-OG 2.88Å
149G65.9Low64.4Low69 Ų6991 Ų9171%0.71151%0.512SS*.  trans68.814.9-17300000113.9N145N145-G149 WeakPolarHBondContact O-CA 3.2Å; N145-G149 PolarHBondContact O-N 3.19Å
150S68.2Low64.2Low54 Ų5484.7 Ų84.738%0.37848%0.48SS..  trans-82.4149.6-179.655.30000112.7N145 T148N145-S150 WeakPolarHBondContact CB-O 3.4Å; N145-S150 PolarHBondContact OD1-O 3.29Å; N145-S150 PolarHBondContact OD1-OG 2.87Å; T148-S150 PolarHBondContact O-N 3.08Å; T148-S150 PolarHBondContact OG1-OG 2.88Å
151T67.2Low64.2Low93 Ų9381.9 Ų81.957%0.57146%0.463SS*.  trans-91167.8178.352.90000112.6V153T151-V153 VanDerWaalsContact C-N 3.33Å
152N68.3Low64.1Low24 Ų2487.7 Ų87.713%0.12850%0.497CS..SBendtrans-80.4-16.1174-75.6-34.3000113.7K135 R141 N145K135-N152 PolarHBondContact N-O 2.86Å; R141-N152 PolarHBondContact NE-OD1 3.21Å; R141-N152 PolarHBondContact NH2-O 3.42Å; N145-N152 PolarHBondContact ND2-OD1 2.86Å
153V72.4Confident64.5Low70 Ų7086.2 Ų86.242%0.42449%0.49SS..BIsolated β-bridgetrans-62.7132.6175.1-174.20000111L133 T151L133-V153 CarbonylContact O-C 3.55Å; L133-V153 VanDerWaalsContact O-CA 3.29Å; L133-V153 WeakPolarHBondContact O-CA 3.47Å; T151-V153 VanDerWaalsContact C-N 3.33Å
154G63.6Low65.3Low20 Ų2087.3 Ų87.321%0.20650%0.503CS..  trans-72.4141.5176.200000112.3L133 Q156L133-G154 PolarHBondContact O-N 2.63Å; G154-Q156 VanDerWaalsContact C-N 3.31Å
155E60.1Low66.4Low205 Ų20584.5 Ų84.596%0.95849%0.485SS*.SBendtrans-78.7-13177.6-65.7-179.7169.200113.5
156Q65.7Low67.3Low169 Ų16985.3 Ų85.379%0.7949%0.492SS*.SBendtrans-120.6136.1-177.9-69.2-177.7-6.500110.3G154G154-Q156 VanDerWaalsContact C-N 3.31Å
157L63.8Low68.3Low145 Ų14581.3 Ų81.376%0.75946%0.464SS*.  trans-64.3139.5173.9-70.8168000110.5T159L157-T159 PolarHBondContact O-N 2.7Å
158P63.3Low69.5Low9 Ų974.5 Ų74.56%0.05843%0.429CS..  trans-58.4125.5176.2-2332000110.7I129 E132 L133 G160 Q161I129-P158 HydrophobicContact CD1-CB 4.25Å; I129-P158 HydrophobicContact CG2-CB 4.1Å; I129-P158 HydrophobicContact CG2-CG 4.02Å; E132-P158 HydrophobicContact CB-CB 4.4Å; E132-P158 HydrophobicContact CB-CG 4.17Å; E132-P158 WeakPolarHBondContact OE2-CA 3.27Å; E132-P158 VanDerWaalsContact OE2-CB 3.24Å; E132-P158 WeakPolarHBondContact OE2-CB 3.48Å; L133-P158 HydrophobicContact CD1-CG 4.1Å; L133-P158 HydrophobicContact CD2-CG 3.45Å; L133-P158 VanDerWaalsContact CD2-CG 3.45Å; L133-P158 HydrophobicContact CG-CG 3.43Å; L133-P158 VanDerWaalsContact CG-CG 3.43Å; P158-G160 PolarHBondContact O-N 3.14Å; P158-Q161 HydrophobicContact CB-CB 4.35Å; P158-Q161 PolarHBondContact O-N 2.95Å
159T62.7Low70.1Confident91 Ų9173.4 Ų73.456%0.55842%0.415SS*.THydrogen-bonded Turntrans-63-21.1172.143.10000112.1L157 T170L157-T159 PolarHBondContact O-N 2.7Å; T159-T170 PolarHBondContact OG1-OG1 3.3Å
160G58.8Low70.8Confident1 Ų173.6 Ų73.61%0.0140%0.403CS..THydrogen-bonded Turntrans-79.7-18.2-179.700000115.6P158 L162 S163P158-G160 PolarHBondContact O-N 3.14Å; G160-L162 PolarHBondContact O-N 3.18Å; G160-S163 VanDerWaalsContact O-CB 3.28Å; G160-S163 WeakPolarHBondContact O-CB 3.42Å; G160-S163 PolarHBondContact O-N 2.83Å
161Q58.2Low71.5Confident80 Ų8073.8 Ų73.837%0.37441%0.413SS..THydrogen-bonded Turntrans-66.8-25.3-172.8-165.5174.6-4.800113.2P158P158-Q161 HydrophobicContact CB-CB 4.35Å; P158-Q161 PolarHBondContact O-N 2.95Å
162L61.6Low72.5Confident178 Ų17870.1 Ų70.193%0.93239%0.39SS*.THydrogen-bonded Turntrans-108.17.3173.4-62.5173.1000112.6G160G160-L162 PolarHBondContact O-N 3.18Å
163S70.7Confident73.7Confident43 Ų4377.4 Ų77.430%0.30142%0.421SS..SBendtrans-81.3149.7-179.8-179.20000111G160 V165G160-S163 VanDerWaalsContact O-CB 3.28Å; G160-S163 WeakPolarHBondContact O-CB 3.42Å; G160-S163 PolarHBondContact O-N 2.83Å; S163-V165 PolarHBondContact O-N 3.26Å; S163-V165 PolarHBondContact OG-N 3.32Å
164V75.6Confident74.7Confident136 Ų13677.5 Ų77.582%0.82441%0.414SS*.SBendtrans-70.5-3167-61.20000112.9P166V164-P166 VanDerWaalsContact C-CD 3.44Å
165V84.4Confident76.2Confident15 Ų1583.1 Ų83.19%0.09144%0.444CS..  trans-125.865.4176.7-166.40000109.6S163 W167 R168 M215 I251S163-V165 PolarHBondContact O-N 3.26Å; S163-V165 PolarHBondContact OG-N 3.32Å; V165-W167 HydrophobicContact CB-CZ2 4.38Å; V165-W167 HydrophobicContact CG1-CD2 4.36Å; V165-W167 HydrophobicContact CG1-CZ2 3.8Å; V165-W167 VanDerWaalsContact CG1-NE1 3.28Å; V165-W167 PolarHBondContact O-N 2.97Å; V165-R168 HydrophobicContact CG1-CB 3.89Å; V165-R168 PolarHBondContact O-N 2.83Å; V165-M215 HydrophobicContact CB-CE 4.14Å; V165-M215 HydrophobicContact CG1-CE 4.04Å; V165-M215 HydrophobicContact CG2-CE 4.36Å; V165-I251 HydrophobicContact CG1-CB 4.02Å; V165-I251 HydrophobicContact CG1-CD1 4.48Å; V165-I251 HydrophobicContact CG1-CG2 3.75Å; V165-I251 HydrophobicContact CG2-CD1 3.88Å
166P84.5Confident77.9Confident41 Ų4179.1 Ų79.127%0.26643%0.429SS..THydrogen-bonded Turntrans-66.3-23.2-172.727.6-36000112.9E126 I129 V164 R168E126-P166 HydrophobicContact CG-CB 4.39Å; I129-P166 WeakPolarHBondContact CD1-O 3.42Å; I129-P166 WeakPolarHBondContact CG1-O 3.37Å; V164-P166 VanDerWaalsContact C-CD 3.44Å; P166-R168 VanDerWaalsContact C-N 3.32Å; P166-R168 PolarHBondContact O-N 3.21Å
167W87.5Confident79.4Confident31 Ų3172.4 Ų72.412%0.11740%0.399CS..THydrogen-bonded Turntrans-80-5.6-178.753.476.9000114.6E126 N128 V165 P235 C236 I251 P253E126-W167 WeakPolarHBondContact OE2-CB 3.4Å; N128-W167 PolarHBondContact ND2-O 2.9Å; V165-W167 HydrophobicContact CB-CZ2 4.38Å; V165-W167 HydrophobicContact CG1-CD2 4.36Å; V165-W167 HydrophobicContact CG1-CZ2 3.8Å; V165-W167 VanDerWaalsContact CG1-NE1 3.28Å; V165-W167 PolarHBondContact O-N 2.97Å; W167-P235 HydrophobicContact CE3-CB 4.17Å; W167-P235 VanDerWaalsContact CH2-O 3.31Å; W167-P235 WeakPolarHBondContact CH2-O 3.38Å; W167-P235 HydrophobicContact CZ3-CB 4.08Å; W167-P235 WeakPolarHBondContact CZ3-O 3.46Å; W167-C236 HydrophobicContact CD2-CB 3.93Å; W167-C236 VanDerWaalsContact CE2-CB 3.44Å; W167-C236 HydrophobicContact CG-CB 4.19Å; W167-C236 VanDerWaalsContact CZ2-CA 3.43Å; W167-C236 HydrophobicContact CZ2-CB 3.87Å; W167-C236 VanDerWaalsContact NE1-CB 3.32Å; W167-I251 PolarHBondContact NE1-O 3.1Å; W167-P253 HydrophobicContact CB-CG 4.08Å; W167-P253 HydrophobicContact CG-CG 4.18Å
168R88.1Confident81Confident2 Ų267.5 Ų67.51%0.00837%0.372CS..SBendtrans-130.2129.2-177.5-170.5-178.3-177.575.56.1112.4V165 P166 L212 G214 M215 I251 P252V165-R168 HydrophobicContact CG1-CB 3.89Å; V165-R168 PolarHBondContact O-N 2.83Å; P166-R168 VanDerWaalsContact C-N 3.32Å; P166-R168 PolarHBondContact O-N 3.21Å; R168-L212 PolarHBondContact NH2-O 2.79Å; R168-G214 VanDerWaalsContact CZ-O 3.32Å; R168-G214 PolarHBondContact NE-O 3.03Å; R168-G214 PolarHBondContact NH2-O 2.91Å; R168-M215 HydrophobicContact CB-CE 4.43Å; R168-M215 HydrophobicContact CG-CE 4.43Å; R168-M215 HydrophobicContact CG-SD 3.96Å; R168-I251 HydrophobicContact CB-CG2 4.33Å; R168-I251 HydrophobicContact CG-CG2 4.46Å; R168-P252 VanDerWaalsContact CD-O 3.23Å; R168-P252 WeakPolarHBondContact CD-O 3.24Å; R168-P252 PolarHBondContact NH1-O 3.36Å
169R81.3Confident82.6Confident65 Ų6567.2 Ų67.225%0.24537%0.37CS..  trans-76.5145.2178.7-59.5-178.9-74178.10.5112.1N128 E132 V172 D254N128-R169 HydrophobicContact CB-CG 4.1Å; N128-R169 WeakPolarHBondContact O-CD 2.96Å; E132-R169 HydrophobicContact CG-CG 4.18Å; E132-R169 VanDerWaalsContact OE1-CB 3.27Å; E132-R169 WeakPolarHBondContact OE1-CB 3.2Å; E132-R169 WeakPolarHBondContact OE1-CD 3.4Å; E132-R169 WeakPolarHBondContact OE1-CG 3.3Å; R169-V172 HydrophobicContact CB-CG2 3.97Å; R169-V172 WeakPolarHBondContact O-CG2 3.42Å; R169-D254 IonicContact NH2-OD2 3.55Å; R169-D254 PolarHBondContact NH2-OD2 2.65Å
170T80.4Confident84.3Confident74 Ų7466 Ų6645%0.45436%0.356SS..THydrogen-bonded Turntrans-76.8145.5171.755.40000111T159 V172T159-T170 PolarHBondContact OG1-OG1 3.3Å; T170-V172 VanDerWaalsContact C-N 3.33Å; T170-V172 PolarHBondContact O-N 2.86Å
171G83.3Confident86.2Confident57 Ų5766 Ų6659%0.58836%0.356SS*.THydrogen-bonded Turntrans77.313172.100000115.7K173G171-K173 PolarHBondContact O-N 3.23Å
172V88.6Confident88.1Confident16 Ų1665.2 Ų65.210%0.09735%0.354CS..  trans-53133.9170.1175.90000109.9R169 T170 Y174 L212 T213 G214 D254R169-V172 HydrophobicContact CB-CG2 3.97Å; R169-V172 WeakPolarHBondContact O-CG2 3.42Å; T170-V172 VanDerWaalsContact C-N 3.33Å; T170-V172 PolarHBondContact O-N 2.86Å; V172-Y174 HydrophobicContact CG1-CD2 3.86Å; V172-Y174 HydrophobicContact CG1-CE2 3.38Å; V172-L212 VanDerWaalsContact CG1-O 3.31Å; V172-L212 WeakPolarHBondContact CG1-O 3.44Å; V172-T213 CarbonylContact O-C 3.55Å; V172-T213 VanDerWaalsContact O-CA 3.29Å; V172-T213 WeakPolarHBondContact O-CA 3.48Å; V172-T213 WeakPolarHBondContact O-CG2 3.19Å; V172-G214 PolarHBondContact O-N 2.98Å; V172-D254 WeakPolarHBondContact CG1-OD1 3.38Å
173K92.5Very high89.9Confident177 Ų17756.8 Ų56.877%0.7731%0.31SS*.  trans-135.4133.8-179.7-72.6179.8-177.1179.90111.1G171 T213G171-K173 PolarHBondContact O-N 3.23Å; K173-T213 HydrophobicContact CG-CG2 4.2Å
174Y94.4Very high91.2Very high73 Ų7356 Ų5629%0.28630%0.303SS..  trans-130.4142.9172-70.2-79.3000110.7V172 N176 N177 K211 T213 D254V172-Y174 HydrophobicContact CG1-CD2 3.86Å; V172-Y174 HydrophobicContact CG1-CE2 3.38Å; Y174-N176 WeakPolarHBondContact CB-O 3.4Å; Y174-N177 PolarHBondContact O-ND2 2.96Å; Y174-K211 HydrophobicContact CD1-CB 3.93Å; Y174-K211 HydrophobicContact CD1-CD 4.45Å; Y174-K211 HydrophobicContact CD2-CB 3.98Å; Y174-K211 HydrophobicContact CE1-CB 3.78Å; Y174-K211 HydrophobicContact CE1-CD 4.04Å; Y174-K211 HydrophobicContact CE1-CG 3.95Å; Y174-K211 VanDerWaalsContact CE2-CA 3.45Å; Y174-K211 HydrophobicContact CE2-CB 3.8Å; Y174-K211 HydrophobicContact CE2-CG 4.46Å; Y174-K211 HydrophobicContact CG-CB 4.02Å; Y174-T213 PolarHBondContact N-OG1 2.98Å; Y174-T213 PolarHBondContact O-OG1 2.87Å; Y174-D254 VanDerWaalsContact CE2-OD1 3.28Å; Y174-D254 WeakPolarHBondContact CE2-OD1 3.34Å; Y174-D254 PolarHBondContact OH-OD1 3.19Å; Y174-D254 VanDerWaalsContact OH-OD1 3.05Å; Y174-D254 PolarHBondContact OH-OD2 2.78Å
175T94.2Very high92.3Very high138 Ų13849.5 Ų49.585%0.84726%0.264SS*.SBendtrans-66.5-45.3169.648.10000110.7
176N95.6Very high92.9Very high120 Ų12051.6 Ų51.664%0.64227%0.273SS*.SBendtrans-111.5118.9176.3-63.1-31.6000109.3Y174Y174-N176 WeakPolarHBondContact CB-O 3.4Å
177N97.6Very high93.5Very high29 Ų2949.7 Ų49.716%0.15526%0.26CS..  trans-95.7115.9-178.4-67.6-88.2000109.6Y174 K211 L212 T213 Y399 P401 F402Y174-N177 PolarHBondContact O-ND2 2.96Å; N177-K211 CarbonylContact C-O 3.39Å; N177-K211 VanDerWaalsContact CA-O 3.31Å; N177-K211 WeakPolarHBondContact CA-O 3.36Å; N177-L212 HydrophobicContact CB-CD2 4.04Å; N177-T213 VanDerWaalsContact OD1-CB 3.25Å; N177-T213 WeakPolarHBondContact OD1-CB 3.3Å; N177-T213 PolarHBondContact OD1-N 3.18Å; N177-T213 PolarHBondContact OD1-OG1 3.27Å; N177-Y399 HydrophobicContact CB-CD2 3.65Å; N177-Y399 HydrophobicContact CB-CE2 3.37Å; N177-P401 HydrophobicContact CB-CB 4.22Å; N177-P401 CarbonylContact O-C 3.56Å; N177-P401 WeakPolarHBondContact O-CA 3.36Å; N177-P401 WeakPolarHBondContact O-CB 3.48Å; N177-F402 PolarHBondContact O-N 2.79Å
178E97.4Very high94Very high42 Ų4249.2 Ų49.220%0.19626%0.26CS..EExtended strand (participates in β ladder)trans-141143.5-172.759.1-175-161.900111.7Y180 K211 F402E178-Y180 HydrophobicContact CB-CD2 4.43Å; E178-Y180 HydrophobicContact CB-CE2 3.82Å; E178-Y180 HydrophobicContact CG-CD2 4.45Å; E178-Y180 HydrophobicContact CG-CE2 3.93Å; E178-K211 HydrophobicContact CG-CB 3.92Å; E178-K211 HydrophobicContact CG-CD 4.29Å; E178-K211 HydrophobicContact CG-CG 4.45Å; E178-K211 PolarHBondContact N-O 2.93Å; E178-K211 CarbonylContact O-C 3.47Å; E178-K211 PolarHBondContact O-N 2.93Å; E178-K211 WeakPolarHBondContact OE1-CD 3.43Å; E178-K211 WeakPolarHBondContact OE1-CE 3.41Å; E178-K211 IonicContact OE1-NZ 2.63Å; E178-K211 PolarHBondContact OE1-NZ 2.82Å; E178-F402 CarbonylContact C-O 3.53Å; E178-F402 WeakPolarHBondContact CA-O 3.04Å; E178-F402 HydrophobicContact CB-CB 4.25Å
179A97.9Very high94.4Very high2 Ų249.2 Ų49.22%0.01726%0.26CS..EExtended strand (participates in β ladder)trans-135.2119.417300000109.6F181 C209 V210 L212 F402 K403 G404A179-F181 HydrophobicContact CB-CE2 3.96Å; A179-C209 WeakPolarHBondContact CA-O 3.35Å; A179-V210 HydrophobicContact CB-CG2 4.4Å; A179-L212 HydrophobicContact CB-CD1 4.32Å; A179-F402 PolarHBondContact N-O 2.9Å; A179-K403 CarbonylContact O-C 3.6Å; A179-K403 WeakPolarHBondContact O-CA 3.27Å; A179-G404 PolarHBondContact O-N 3.41Å
180Y98.1Very high95.1Very high67 Ų6748.1 Ų48.126%0.26326%0.259SS..EExtended strand (participates in β ladder)trans-112.4140.1177.1-65.5-85.8000110.5E178 A208 C209 F402 G404E178-Y180 HydrophobicContact CB-CD2 4.43Å; E178-Y180 HydrophobicContact CB-CE2 3.82Å; E178-Y180 HydrophobicContact CG-CD2 4.45Å; E178-Y180 HydrophobicContact CG-CE2 3.93Å; Y180-A208 CarbonylContact O-C 3.51Å; Y180-A208 VanDerWaalsContact O-CA 3.24Å; Y180-A208 WeakPolarHBondContact O-CA 3.39Å; Y180-C209 PolarHBondContact N-O 2.85Å; Y180-C209 PolarHBondContact O-N 3.48Å; Y180-F402 HydrophobicContact CD1-CE1 4.36Å; Y180-F402 AromaticContact CE1-CD1 3.88Å; Y180-F402 HydrophobicContact CE1-CD1 3.88Å; Y180-F402 AromaticContact CE1-CE1 3.42Å; Y180-F402 HydrophobicContact CE1-CE1 3.42Å; Y180-F402 VanDerWaalsContact CE1-CE1 3.42Å; Y180-F402 HydrophobicContact CE2-CD1 4.44Å; Y180-F402 AromaticContact CZ-CD1 3.66Å; Y180-F402 AromaticContact CZ-CE1 3.64Å; Y180-F402 WeakPolarHBondContact OH-CD1 3.28Å; Y180-F402 WeakPolarHBondContact OH-CE1 3.22Å; Y180-G404 CarbonylContact C-O 3.51Å; Y180-G404 WeakPolarHBondContact CA-O 3.37Å
181F98.3Very high95.9Very high1 Ų145.1 Ų45.10%0.00424%0.24CC..EExtended strand (participates in β ladder)trans-129.2118.7175.1-61.6-92.5000109.3A179 I206 D207 A208 V210 L218 L220 F250 L259 L392 G404 I405 K406A179-F181 HydrophobicContact CB-CE2 3.96Å; F181-I206 HydrophobicContact CB-CG2 4.24Å; F181-I206 HydrophobicContact CD1-CG2 4.15Å; F181-D207 CarbonylContact C-O 3.57Å; F181-D207 WeakPolarHBondContact CA-O 3.48Å; F181-A208 HydrophobicContact CD1-CB 3.77Å; F181-A208 HydrophobicContact CE1-CB 3.75Å; F181-V210 HydrophobicContact CZ-CG2 4.46Å; F181-L218 HydrophobicContact CZ-CD1 4.06Å; F181-L220 HydrophobicContact CD1-CD2 4.46Å; F181-F250 HydrophobicContact CE1-CE2 4.34Å; F181-F250 AromaticContact CE1-CZ 3.94Å; F181-F250 HydrophobicContact CE1-CZ 3.94Å; F181-F250 HydrophobicContact CZ-CE2 4.45Å; F181-F250 HydrophobicContact CZ-CZ 4.1Å; F181-L259 HydrophobicContact CD1-CD2 4.16Å; F181-L259 HydrophobicContact CE1-CD2 3.96Å; F181-L392 HydrophobicContact CD2-CD2 3.8Å; F181-L392 HydrophobicContact CE2-CD1 4.12Å; F181-L392 HydrophobicContact CE2-CD2 3.37Å; F181-L392 HydrophobicContact CE2-CG 4.4Å; F181-L392 HydrophobicContact CZ-CD1 4.29Å; F181-L392 HydrophobicContact CZ-CD2 4.31Å; F181-G404 PolarHBondContact N-O 3.41Å; F181-I405 HydrophobicContact CB-CG1 4.45Å; F181-I405 CarbonylContact O-C 3.56Å; F181-I405 VanDerWaalsContact O-CA 3.25Å; F181-I405 WeakPolarHBondContact O-CA 3.3Å; F181-K406 PolarHBondContact O-N 3.14Å
182D98.2Very high96.5Very high62 Ų6244.5 Ų44.533%0.33222%0.223SC..EExtended strand (participates in β ladder)trans-105.4110.4178.8-68.7-20.3000108.6V184 I206 D207 K406D182-V184 HydrophobicContact CB-CG2 4.42Å; D182-V184 PolarHBondContact O-N 3.35Å; D182-I206 WeakPolarHBondContact O-CA 3.37Å; D182-D207 PolarHBondContact N-O 2.9Å; D182-D207 PolarHBondContact O-N 2.84Å; D182-K406 WeakPolarHBondContact OD1-CB 3.23Å
183V98.5Very high96.7Very high1 Ų151.2 Ų51.21%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-85.6107.8172.5-174.60000107.7V205 I206 Y262 A383 L387 I405 K406 Y407 M408V183-V205 WeakPolarHBondContact CA-O 3.42Å; V183-I206 HydrophobicContact CG2-CD1 4.35Å; V183-I206 HydrophobicContact CG2-CG1 4.19Å; V183-Y262 WeakPolarHBondContact CG1-OH 3.33Å; V183-A383 HydrophobicContact CG1-CB 4.45Å; V183-L387 HydrophobicContact CG1-CD2 4.2Å; V183-I405 HydrophobicContact CG2-CG2 4.44Å; V183-K406 PolarHBondContact N-O 3.47Å; V183-Y407 HydrophobicContact CB-CD1 3.63Å; V183-Y407 HydrophobicContact CB-CE1 4.01Å; V183-Y407 HydrophobicContact CB-CG 4.39Å; V183-Y407 HydrophobicContact CG1-CD1 3.99Å; V183-Y407 HydrophobicContact CG1-CE1 4.33Å; V183-Y407 HydrophobicContact CG2-CD1 3.91Å; V183-Y407 HydrophobicContact CG2-CE1 3.76Å; V183-Y407 CarbonylContact O-C 3.6Å; V183-Y407 VanDerWaalsContact O-CA 3.3Å; V183-Y407 WeakPolarHBondContact O-CA 3.41Å; V183-M408 PolarHBondContact O-N 2.86Å
184V98.4Very high96.8Very high26 Ų2646.8 Ų46.816%0.15824%0.242CC..EExtended strand (participates in β ladder)trans-114.4123.6-179.6-176.80000109.1D182 G204 V205 M408D182-V184 HydrophobicContact CB-CG2 4.42Å; D182-V184 PolarHBondContact O-N 3.35Å; V184-G204 CarbonylContact O-C 3.51Å; V184-G204 WeakPolarHBondContact O-CA 3.29Å; V184-V205 HydrophobicContact CB-CG2 3.85Å; V184-V205 PolarHBondContact N-O 2.72Å; V184-V205 PolarHBondContact O-N 3.09Å; V184-M408 CarbonylContact C-O 3.59Å; V184-M408 WeakPolarHBondContact CA-O 3.43Å; V184-M408 HydrophobicContact CB-CE 4.4Å; V184-M408 HydrophobicContact CG1-CE 3.58Å; V184-M408 HydrophobicContact CG2-CE 3.93Å
185E98.3Very high96.7Very high0 Ų044.8 Ų44.80%024%0.244CC..EExtended strand (participates in β ladder)trans-115134.1176.8-71.5-173.2161.800110.6I202 Y262 A383 I384 S385 M408 T409 K410E185-I202 HydrophobicContact CB-CG2 3.72Å; E185-I202 HydrophobicContact CG-CG2 3.79Å; E185-Y262 VanDerWaalsContact CG-OH 3.24Å; E185-Y262 WeakPolarHBondContact CG-OH 3.38Å; E185-Y262 PolarHBondContact OE1-OH 2.95Å; E185-A383 HydrophobicContact CG-CB 4.44Å; E185-A383 VanDerWaalsContact OE2-CA 3.25Å; E185-A383 WeakPolarHBondContact OE2-CA 3.48Å; E185-A383 WeakPolarHBondContact OE2-CB 2.97Å; E185-I384 HydrophobicContact CB-CG2 4.44Å; E185-I384 WeakPolarHBondContact OE2-CG2 3.24Å; E185-I384 PolarHBondContact OE2-N 3.02Å; E185-S385 WeakPolarHBondContact OE1-CB 3.41Å; E185-S385 PolarHBondContact OE1-OG 3.18Å; E185-S385 PolarHBondContact OE2-N 3.02Å; E185-M408 PolarHBondContact N-O 2.89Å; E185-T409 CarbonylContact O-C 3.57Å; E185-T409 VanDerWaalsContact O-CA 3.3Å; E185-T409 WeakPolarHBondContact O-CA 3.42Å; E185-K410 PolarHBondContact O-N 2.84Å
186E98.2Very high96.7Very high60 Ų6041.1 Ų41.128%0.2822%0.224SC..EExtended strand (participates in β ladder)trans-105.5131.3168-168.3163.8129.800108.3I202 Q203 K410 G412E186-I202 WeakPolarHBondContact O-CA 3.27Å; E186-Q203 PolarHBondContact N-O 2.78Å; E186-Q203 PolarHBondContact O-N 3.43Å; E186-Q203 PolarHBondContact O-OE1 2.83Å; E186-K410 WeakPolarHBondContact CA-O 3.4Å; E186-K410 HydrophobicContact CB-CG 4.44Å; E186-K410 WeakPolarHBondContact OE2-CE 3.24Å; E186-K410 IonicContact OE2-NZ 2.62Å; E186-K410 PolarHBondContact OE2-NZ 2.83Å; E186-G412 VanDerWaalsContact OE1-CA 3.25Å; E186-G412 WeakPolarHBondContact OE1-CA 3.42Å
187I97.4Very high96.6Very high0 Ų038.4 Ų38.40%021%0.212CC..EExtended strand (participates in β ladder)trans-108.3117.9176.1-178.6174.7000110.3A189 V270 I272 F377 I384 T409 K410 G412 F414I187-A189 HydrophobicContact CG1-CB 4.43Å; I187-V270 HydrophobicContact CD1-CG1 3.82Å; I187-V270 HydrophobicContact CG1-CG1 4.4Å; I187-I272 HydrophobicContact CD1-CD1 4.27Å; I187-F377 HydrophobicContact CG2-CE2 4.2Å; I187-F377 HydrophobicContact CG2-CZ 3.63Å; I187-I384 HydrophobicContact CB-CG2 4.41Å; I187-I384 HydrophobicContact CD1-CG1 4.39Å; I187-T409 HydrophobicContact CG2-CG2 4.24Å; I187-K410 PolarHBondContact N-O 3.18Å; I187-G412 PolarHBondContact O-N 2.92Å; I187-F414 HydrophobicContact CG2-CD2 4.38Å
188D97Very high96.5Very high22 Ų2241.3 Ų41.312%0.11823%0.226CC..EExtended strand (participates in β ladder)trans-95.2128.2167.9-71.2-19.2000108.1A200 E201 Q203 G412 K413D188-A200 CarbonylContact O-C 3.51Å; D188-A200 VanDerWaalsContact O-CA 3.23Å; D188-A200 WeakPolarHBondContact O-CA 3.4Å; D188-E201 HydrophobicContact CB-CG 3.76Å; D188-E201 PolarHBondContact N-O 3.39Å; D188-E201 VanDerWaalsContact N-O 3.08Å; D188-E201 PolarHBondContact O-N 2.7Å; D188-Q203 PolarHBondContact OD2-NE2 2.81Å; D188-Q203 PolarHBondContact OD2-OE1 3.45Å; D188-G412 VanDerWaalsContact OD1-CA 3.29Å; D188-G412 WeakPolarHBondContact OD1-CA 3.12Å; D188-K413 HydrophobicContact CB-CB 4.46Å; D188-K413 PolarHBondContact OD1-N 3.32Å
189A96.6Very high96.3Very high1 Ų141.4 Ų41.41%0.00823%0.23CC..EExtended strand (participates in β ladder)trans-151.5142.1-178.700000112.2I187 I191 T199 A200 I272 K413 F414 Q415I187-A189 HydrophobicContact CG1-CB 4.43Å; A189-I191 HydrophobicContact CB-CD1 4.41Å; A189-T199 CarbonylContact C-O 3.56Å; A189-T199 VanDerWaalsContact CA-O 3.27Å; A189-T199 WeakPolarHBondContact CA-O 3.38Å; A189-A200 HydrophobicContact CB-CB 4.08Å; A189-I272 HydrophobicContact CB-CD1 4.22Å; A189-K413 PolarHBondContact N-O 3.29Å; A189-K413 VanDerWaalsContact O-O 3.1Å; A189-F414 HydrophobicContact CB-CD2 3.78Å; A189-F414 HydrophobicContact CB-CE2 3.83Å; A189-F414 HydrophobicContact CB-CG 4.5Å; A189-Q415 PolarHBondContact O-N 3.15Å
190I96.9Very high96.2Very high42 Ų4241.6 Ų41.622%0.21523%0.232CC..EExtended strand (participates in β ladder)trans-116.9118.1167.8-54.3179000107.8I198 T199 Q415 R417I190-I198 HydrophobicContact CB-CB 4.36Å; I190-I198 HydrophobicContact CG2-CB 4.37Å; I190-I198 HydrophobicContact CG2-CD1 3.97Å; I190-I198 WeakPolarHBondContact O-CB 3.43Å; I190-I198 PolarHBondContact O-N 2.92Å; I190-T199 HydrophobicContact CB-CG2 3.83Å; I190-T199 HydrophobicContact CD1-CG2 3.84Å; I190-T199 HydrophobicContact CG1-CG2 3.7Å; I190-T199 PolarHBondContact N-O 2.68Å; I190-T199 PolarHBondContact O-N 3.07Å; I190-Q415 WeakPolarHBondContact CA-O 3.31Å; I190-R417 HydrophobicContact CG2-CG 4.23Å
191I96.8Very high96.1Very high12 Ų1241.4 Ų41.46%0.06223%0.233CC..EExtended strand (participates in β ladder)trans-103.9134.3175.7-49-56000108.4A189 S196 T197 I272 F414 Q415 V416 R417A189-I191 HydrophobicContact CB-CD1 4.41Å; I191-S196 CarbonylContact C-O 3.56Å; I191-S196 WeakPolarHBondContact CA-O 3.35Å; I191-T197 HydrophobicContact CD1-CG2 4.17Å; I191-I272 HydrophobicContact CD1-CD1 4.01Å; I191-I272 HydrophobicContact CD1-CG1 4.11Å; I191-I272 HydrophobicContact CD1-CG2 4.23Å; I191-F414 HydrophobicContact CG1-CE1 4.39Å; I191-F414 HydrophobicContact CG1-CZ 4.28Å; I191-Q415 PolarHBondContact N-O 2.77Å; I191-V416 HydrophobicContact CB-CB 4.45Å; I191-V416 HydrophobicContact CB-CG1 4.25Å; I191-V416 HydrophobicContact CB-CG2 4.12Å; I191-V416 HydrophobicContact CG1-CG2 4.31Å; I191-V416 HydrophobicContact CG2-CG1 4.41Å; I191-V416 WeakPolarHBondContact O-CA 3.43Å; I191-R417 PolarHBondContact O-N 3.4Å
192D95.6Very high96.1Very high44 Ų4441.4 Ų41.424%0.23523%0.233CC..  trans-76.4174.6176.482.12.5000112.6S194 G195 S196 I198 R417D192-S194 VanDerWaalsContact CG-OG 3.22Å; D192-S194 PolarHBondContact O-N 2.88Å; D192-S194 VanDerWaalsContact O-N 3.15Å; D192-S194 VanDerWaalsContact OD1-CA 3.29Å; D192-S194 WeakPolarHBondContact OD1-CA 3.44Å; D192-S194 WeakPolarHBondContact OD1-CB 3.28Å; D192-S194 PolarHBondContact OD1-N 3.12Å; D192-S194 PolarHBondContact OD1-OG 2.88Å; D192-S194 PolarHBondContact OD2-OG 3.4Å; D192-S194 VanDerWaalsContact OD2-OG 3.06Å; D192-G195 PolarHBondContact O-N 3.38Å; D192-G195 PolarHBondContact OD1-N 2.92Å; D192-S196 PolarHBondContact N-O 3.15Å; D192-S196 PolarHBondContact OD1-N 2.89Å; D192-I198 HydrophobicContact CB-CD1 3.69Å; D192-I198 HydrophobicContact CB-CG1 3.88Å; D192-R417 CarbonylContact C-O 3.55Å
193K93.8Very high96.1Very high157 Ų15741.3 Ų41.368%0.68323%0.231SC*.THydrogen-bonded Turntrans-61.8-20.6179.168.6-178.1-179.2-176.30114.8H278 R417K193-H278 PolarHBondContact O-NE2 2.87Å; K193-R417 WeakPolarHBondContact CA-O 3.45Å; K193-R417 PolarHBondContact N-O 3.23Å
194S93.7Very high96Very high83 Ų8341.3 Ų41.358%0.5823%0.231SC*.THydrogen-bonded Turntrans-86.5-10.2177.376.80000113D192 S196D192-S194 VanDerWaalsContact CG-OG 3.22Å; D192-S194 PolarHBondContact O-N 2.88Å; D192-S194 VanDerWaalsContact O-N 3.15Å; D192-S194 VanDerWaalsContact OD1-CA 3.29Å; D192-S194 WeakPolarHBondContact OD1-CA 3.44Å; D192-S194 WeakPolarHBondContact OD1-CB 3.28Å; D192-S194 PolarHBondContact OD1-N 3.12Å; D192-S194 PolarHBondContact OD1-OG 2.88Å; D192-S194 PolarHBondContact OD2-OG 3.4Å; D192-S194 VanDerWaalsContact OD2-OG 3.06Å; S194-S196 PolarHBondContact OG-OG 3.4Å
195G91.9Very high96Very high31 Ų3141.3 Ų41.332%0.3223%0.231SC..SBendtrans89.910.1-173.200000114.1D192D192-G195 PolarHBondContact O-N 3.38Å; D192-G195 PolarHBondContact OD1-N 2.92Å
196S93.6Very high96.1Very high62 Ų6241.3 Ų41.343%0.43423%0.231SC..  trans-83.8141.9175.9-55.80000110.7I191 D192 S194 I198I191-S196 CarbonylContact C-O 3.56Å; I191-S196 WeakPolarHBondContact CA-O 3.35Å; D192-S196 PolarHBondContact N-O 3.15Å; D192-S196 PolarHBondContact OD1-N 2.89Å; S194-S196 PolarHBondContact OG-OG 3.4Å; S196-I198 PolarHBondContact O-N 2.91Å
197T94.4Very high96.1Very high62 Ų6241 Ų4138%0.3823%0.231SC..EExtended strand (participates in β ladder)trans-75.6120.5176.8-520000109.8I191 A200 I272I191-T197 HydrophobicContact CD1-CG2 4.17Å; T197-A200 HydrophobicContact CG2-CB 3.64Å; T197-I272 HydrophobicContact CG2-CD1 4.05Å; T197-I272 HydrophobicContact CG2-CG1 4.42Å; T197-I272 VanDerWaalsContact OG1-CG1 3.31Å; T197-I272 WeakPolarHBondContact OG1-CG1 3.29Å
198I94.6Very high96.1Very high90 Ų9041.1 Ų41.146%0.46223%0.232SC..EExtended strand (participates in β ladder)trans-82.6-50.9171.4-64.2171000109.5I190 D192 S196I190-I198 HydrophobicContact CB-CB 4.36Å; I190-I198 HydrophobicContact CG2-CB 4.37Å; I190-I198 HydrophobicContact CG2-CD1 3.97Å; I190-I198 WeakPolarHBondContact O-CB 3.43Å; I190-I198 PolarHBondContact O-N 2.92Å; D192-I198 HydrophobicContact CB-CD1 3.69Å; D192-I198 HydrophobicContact CB-CG1 3.88Å; S196-I198 PolarHBondContact O-N 2.91Å
199T94.9Very high96.1Very high45 Ų4541.3 Ų41.328%0.27624%0.235SC..EExtended strand (participates in β ladder)trans-143.4146.3173.4-178.60000108.8A189 I190A189-T199 CarbonylContact C-O 3.56Å; A189-T199 VanDerWaalsContact CA-O 3.27Å; A189-T199 WeakPolarHBondContact CA-O 3.38Å; I190-T199 HydrophobicContact CB-CG2 3.83Å; I190-T199 HydrophobicContact CD1-CG2 3.84Å; I190-T199 HydrophobicContact CG1-CG2 3.7Å; I190-T199 PolarHBondContact N-O 2.68Å; I190-T199 PolarHBondContact O-N 3.07Å
200A95.5Very high96.1Very high6 Ų641.3 Ų41.35%0.0524%0.235CC..EExtended strand (participates in β ladder)trans-150.9128.3168.800000108.5D188 A189 T197 S266 V270 I272D188-A200 CarbonylContact O-C 3.51Å; D188-A200 VanDerWaalsContact O-CA 3.23Å; D188-A200 WeakPolarHBondContact O-CA 3.4Å; A189-A200 HydrophobicContact CB-CB 4.08Å; T197-A200 HydrophobicContact CG2-CB 3.64Å; A200-S266 WeakPolarHBondContact O-CA 3.4Å; A200-S266 WeakPolarHBondContact O-CB 3.41Å; A200-V270 HydrophobicContact CB-CB 3.77Å; A200-V270 HydrophobicContact CB-CG1 3.76Å; A200-V270 HydrophobicContact CB-CG2 4.49Å; A200-V270 WeakPolarHBondContact O-CG2 3.38Å; A200-I272 HydrophobicContact CB-CD1 3.78Å
201E96.1Very high96.1Very high62 Ų6242.8 Ų42.829%0.2924%0.24SC..EExtended strand (participates in β ladder)trans-135.6158.9178.361.4-173.4-169.600109.2D188 Q203 H263 V264D188-E201 HydrophobicContact CB-CG 3.76Å; D188-E201 PolarHBondContact N-O 3.39Å; D188-E201 VanDerWaalsContact N-O 3.08Å; D188-E201 PolarHBondContact O-N 2.7Å; E201-Q203 PolarHBondContact OE1-NE2 2.92Å; E201-Q203 VanDerWaalsContact OE1-NE2 3.13Å; E201-H263 IonicContact OE2-NE2 2.63Å; E201-V264 WeakPolarHBondContact CA-O 3.25Å
202I97.5Very high96Very high1 Ų142.2 Ų42.21%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-125.8125.8-179.2-53.6164.2000108.9E185 E186 H263 V264 V270 I384E185-I202 HydrophobicContact CB-CG2 3.72Å; E185-I202 HydrophobicContact CG-CG2 3.79Å; E186-I202 WeakPolarHBondContact O-CA 3.27Å; I202-H263 CarbonylContact O-C 3.58Å; I202-H263 WeakPolarHBondContact O-CA 3.22Å; I202-V264 HydrophobicContact CB-CB 4.01Å; I202-V264 HydrophobicContact CB-CG2 4.32Å; I202-V264 HydrophobicContact CD1-CB 4.25Å; I202-V264 HydrophobicContact CG1-CB 4.47Å; I202-V264 PolarHBondContact N-O 3.31Å; I202-V264 PolarHBondContact O-N 3.15Å; I202-V270 HydrophobicContact CD1-CG1 3.93Å; I202-V270 HydrophobicContact CD1-CG2 4.1Å; I202-V270 HydrophobicContact CG1-CG1 3.89Å; I202-V270 HydrophobicContact CG1-CG2 4.19Å; I202-I384 HydrophobicContact CD1-CG2 3.77Å; I202-I384 HydrophobicContact CG1-CG2 4.04Å; I202-I384 HydrophobicContact CG2-CG2 4.34Å
203Q97.8Very high96Very high60 Ų6041.6 Ų41.628%0.2824%0.235SC..EExtended strand (participates in β ladder)trans-102.7112.1169.2-60.884.8-5.700108.2E186 D188 E201E186-Q203 PolarHBondContact N-O 2.78Å; E186-Q203 PolarHBondContact O-N 3.43Å; E186-Q203 PolarHBondContact O-OE1 2.83Å; D188-Q203 PolarHBondContact OD2-NE2 2.81Å; D188-Q203 PolarHBondContact OD2-OE1 3.45Å; E201-Q203 PolarHBondContact OE1-NE2 2.92Å; E201-Q203 VanDerWaalsContact OE1-NE2 3.13Å
204G97.9Very high96Very high1 Ų134.8 Ų34.81%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-109.8146-176.500000112.6V184 S261 Y262V184-G204 CarbonylContact O-C 3.51Å; V184-G204 WeakPolarHBondContact O-CA 3.29Å; G204-S261 CarbonylContact O-C 3.57Å; G204-S261 VanDerWaalsContact O-CA 3.27Å; G204-S261 WeakPolarHBondContact O-CA 3.3Å; G204-Y262 VanDerWaalsContact C-CE1 3.43Å; G204-Y262 VanDerWaalsContact CA-CE1 3.49Å; G204-Y262 PolarHBondContact N-O 2.83Å; G204-Y262 WeakPolarHBondContact O-CD1 3.5Å; G204-Y262 PolarHBondContact O-N 2.8Å
205V98.5Very high95.9Very high26 Ų2633.6 Ų33.616%0.15820%0.195CC..EExtended strand (participates in β ladder)trans-132.9148.4170.2-58.40000110V183 V184 L260V183-V205 WeakPolarHBondContact CA-O 3.42Å; V184-V205 HydrophobicContact CB-CG2 3.85Å; V184-V205 PolarHBondContact N-O 2.72Å; V184-V205 PolarHBondContact O-N 3.09Å; V205-L260 WeakPolarHBondContact CA-O 3.35Å
206I98.5Very high96.1Very high1 Ų132.1 Ų32.11%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-116.8101.7166.9-55.6-176000107F181 D182 V183 F222 L259 L260 Y262 L387F181-I206 HydrophobicContact CB-CG2 4.24Å; F181-I206 HydrophobicContact CD1-CG2 4.15Å; D182-I206 WeakPolarHBondContact O-CA 3.37Å; V183-I206 HydrophobicContact CG2-CD1 4.35Å; V183-I206 HydrophobicContact CG2-CG1 4.19Å; I206-F222 HydrophobicContact CD1-CE1 3.78Å; I206-F222 HydrophobicContact CD1-CZ 3.62Å; I206-L259 HydrophobicContact CG2-CB 4.46Å; I206-L259 HydrophobicContact CG2-CD2 4.32Å; I206-L259 WeakPolarHBondContact O-CB 3.34Å; I206-L259 PolarHBondContact O-N 2.84Å; I206-L260 HydrophobicContact CB-CD1 4.07Å; I206-L260 HydrophobicContact CB-CG 4.08Å; I206-L260 HydrophobicContact CD1-CD1 3.75Å; I206-L260 HydrophobicContact CD1-CD2 4.14Å; I206-L260 HydrophobicContact CD1-CG 4.03Å; I206-L260 HydrophobicContact CG1-CD1 3.64Å; I206-L260 HydrophobicContact CG1-CG 4.11Å; I206-L260 PolarHBondContact N-O 3.5Å; I206-L260 PolarHBondContact O-N 2.8Å; I206-Y262 HydrophobicContact CG1-CE1 4.2Å; I206-L387 HydrophobicContact CD1-CD2 4.48Å
207D98.1Very high96.3Very high52 Ų5230.8 Ų30.828%0.27817%0.168SC..EExtended strand (participates in β ladder)trans-92.3138.4174.4-68.6-29.3000108.8F181 D182 R258F181-D207 CarbonylContact C-O 3.57Å; F181-D207 WeakPolarHBondContact CA-O 3.48Å; D182-D207 PolarHBondContact N-O 2.9Å; D182-D207 PolarHBondContact O-N 2.84Å; D207-R258 WeakPolarHBondContact OD1-CA 3.25Å; D207-R258 WeakPolarHBondContact OD1-CB 3.29Å; D207-R258 WeakPolarHBondContact OD1-CG 3.22Å; D207-R258 IonicContact OD1-CZ 2.86Å; D207-R258 IonicContact OD1-NE 3.88Å; D207-R258 PolarHBondContact OD1-NE 2.67Å; D207-R258 IonicContact OD1-NH2 3.42Å; D207-R258 PolarHBondContact OD1-NH2 2.92Å; D207-R258 IonicContact OD2-CZ 3.61Å; D207-R258 IonicContact OD2-NE 3.44Å; D207-R258 IonicContact OD2-NH2 3.6Å; D207-R258 PolarHBondContact OD2-NH2 3.02Å
208A97.9Very high96.4Very high4 Ų427.9 Ų27.93%0.03315%0.15CC..EExtended strand (participates in β ladder)trans-122.5141-174.300000110.9Y180 F181 V210 N256 F257Y180-A208 CarbonylContact O-C 3.51Å; Y180-A208 VanDerWaalsContact O-CA 3.24Å; Y180-A208 WeakPolarHBondContact O-CA 3.39Å; F181-A208 HydrophobicContact CD1-CB 3.77Å; F181-A208 HydrophobicContact CE1-CB 3.75Å; A208-V210 HydrophobicContact CB-CG2 4.24Å; A208-N256 CarbonylContact O-C 3.15Å; A208-N256 VanDerWaalsContact O-CA 3.28Å; A208-N256 WeakPolarHBondContact O-CA 3.41Å; A208-F257 HydrophobicContact CB-CD1 4.14Å; A208-F257 HydrophobicContact CB-CE1 3.63Å; A208-F257 HydrophobicContact CB-CE2 4.33Å; A208-F257 HydrophobicContact CB-CZ 3.71Å; A208-F257 PolarHBondContact N-O 2.96Å; A208-F257 PolarHBondContact O-N 2.62Å
209C96.9Very high96.6Very high26 Ų2624 Ų2418%0.17613%0.13CC..EExtended strand (participates in β ladder)trans-119.4106166.7-176.10000108.1A179 Y180 G255 N256A179-C209 WeakPolarHBondContact CA-O 3.35Å; Y180-C209 PolarHBondContact N-O 2.85Å; Y180-C209 PolarHBondContact O-N 3.48Å; C209-G255 WeakPolarHBondContact CA-O 3.5Å; C209-N256 VanDerWaalsContact CB-OD1 3.31Å; C209-N256 WeakPolarHBondContact CB-OD1 3.13Å; C209-N256 PolarHBondContact SG-OD1 3.49Å
210V96.8Very high96.7Very high0 Ų021.9 Ų21.90%012%0.117CC..EExtended strand (participates in β ladder)trans-115.8111.6-173.6-178.80000110.1A179 F181 A208 L212 P252 G255 F257A179-V210 HydrophobicContact CB-CG2 4.4Å; F181-V210 HydrophobicContact CZ-CG2 4.46Å; A208-V210 HydrophobicContact CB-CG2 4.24Å; V210-L212 HydrophobicContact CG1-CB 4Å; V210-L212 HydrophobicContact CG1-CD1 3.54Å; V210-L212 HydrophobicContact CG1-CG 3.54Å; V210-P252 HydrophobicContact CB-CB 4.22Å; V210-P252 HydrophobicContact CB-CG 4.4Å; V210-P252 HydrophobicContact CG1-CB 4.01Å; V210-P252 HydrophobicContact CG1-CG 3.65Å; V210-P252 HydrophobicContact CG2-CB 3.98Å; V210-P252 HydrophobicContact CG2-CG 4.38Å; V210-G255 PolarHBondContact N-O 3.11Å; V210-G255 PolarHBondContact O-N 3.09Å; V210-F257 HydrophobicContact CB-CE1 4.27Å; V210-F257 HydrophobicContact CG2-CE1 3.71Å; V210-F257 HydrophobicContact CG2-CZ 4.35Å
211K96.6Very high96.8Very high73 Ų7322.5 Ų22.532%0.31712%0.122SC..EExtended strand (participates in β ladder)trans-117.780.6173.7-60.9-176.4-157.21490108.6Y174 N177 E178Y174-K211 HydrophobicContact CD1-CB 3.93Å; Y174-K211 HydrophobicContact CD1-CD 4.45Å; Y174-K211 HydrophobicContact CD2-CB 3.98Å; Y174-K211 HydrophobicContact CE1-CB 3.78Å; Y174-K211 HydrophobicContact CE1-CD 4.04Å; Y174-K211 HydrophobicContact CE1-CG 3.95Å; Y174-K211 VanDerWaalsContact CE2-CA 3.45Å; Y174-K211 HydrophobicContact CE2-CB 3.8Å; Y174-K211 HydrophobicContact CE2-CG 4.46Å; Y174-K211 HydrophobicContact CG-CB 4.02Å; N177-K211 CarbonylContact C-O 3.39Å; N177-K211 VanDerWaalsContact CA-O 3.31Å; N177-K211 WeakPolarHBondContact CA-O 3.36Å; E178-K211 HydrophobicContact CG-CB 3.92Å; E178-K211 HydrophobicContact CG-CD 4.29Å; E178-K211 HydrophobicContact CG-CG 4.45Å; E178-K211 PolarHBondContact N-O 2.93Å; E178-K211 CarbonylContact O-C 3.47Å; E178-K211 PolarHBondContact O-N 2.93Å; E178-K211 WeakPolarHBondContact OE1-CD 3.43Å; E178-K211 WeakPolarHBondContact OE1-CE 3.41Å; E178-K211 IonicContact OE1-NZ 2.63Å; E178-K211 PolarHBondContact OE1-NZ 2.82Å
212L96.3Very high96.9Very high0 Ų020.1 Ų20.10%011%0.11CC..  trans-122.3138.9-175-67.4-177.8000109.7R168 V172 N177 A179 V210 P216 L218 M394 Y399 P401R168-L212 PolarHBondContact NH2-O 2.79Å; V172-L212 VanDerWaalsContact CG1-O 3.31Å; V172-L212 WeakPolarHBondContact CG1-O 3.44Å; N177-L212 HydrophobicContact CB-CD2 4.04Å; A179-L212 HydrophobicContact CB-CD1 4.32Å; V210-L212 HydrophobicContact CG1-CB 4Å; V210-L212 HydrophobicContact CG1-CD1 3.54Å; V210-L212 HydrophobicContact CG1-CG 3.54Å; L212-P216 HydrophobicContact CB-CB 4.41Å; L212-P216 HydrophobicContact CB-CG 3.71Å; L212-P216 HydrophobicContact CD1-CB 3.85Å; L212-P216 HydrophobicContact CD1-CG 3.68Å; L212-P216 HydrophobicContact CG-CG 4.37Å; L212-L218 HydrophobicContact CD1-CD1 4.3Å; L212-L218 HydrophobicContact CD1-CD2 4.23Å; L212-M394 HydrophobicContact CD1-SD 4.18Å; L212-M394 HydrophobicContact CD2-SD 4.48Å; L212-Y399 WeakPolarHBondContact CB-OH 3.26Å; L212-Y399 HydrophobicContact CD2-CE2 4.06Å; L212-P401 HydrophobicContact CD2-CB 3.48Å; L212-P401 VanDerWaalsContact CD2-CB 3.48Å; L212-P401 HydrophobicContact CD2-CG 4.16Å
213T95.3Very high96.8Very high31 Ų3125.6 Ų25.619%0.1914%0.137CC..SBendtrans-75144.2176.7-61.90000110.4V172 K173 Y174 N177 Y399V172-T213 CarbonylContact O-C 3.55Å; V172-T213 VanDerWaalsContact O-CA 3.29Å; V172-T213 WeakPolarHBondContact O-CA 3.48Å; V172-T213 WeakPolarHBondContact O-CG2 3.19Å; K173-T213 HydrophobicContact CG-CG2 4.2Å; Y174-T213 PolarHBondContact N-OG1 2.98Å; Y174-T213 PolarHBondContact O-OG1 2.87Å; N177-T213 VanDerWaalsContact OD1-CB 3.25Å; N177-T213 WeakPolarHBondContact OD1-CB 3.3Å; N177-T213 PolarHBondContact OD1-N 3.18Å; N177-T213 PolarHBondContact OD1-OG1 3.27Å; T213-Y399 PolarHBondContact N-OH 3.37Å; T213-Y399 VanDerWaalsContact N-OH 3.09Å; T213-Y399 PolarHBondContact O-OH 3.32Å
214G92.8Very high96.6Very high14 Ų1425 Ų2514%0.14414%0.136CC..SBendtrans74.1-141.1173.600000113.9R168 V172 P216 E397R168-G214 VanDerWaalsContact CZ-O 3.32Å; R168-G214 PolarHBondContact NE-O 3.03Å; R168-G214 PolarHBondContact NH2-O 2.91Å; V172-G214 PolarHBondContact O-N 2.98Å; G214-P216 VanDerWaalsContact C-CD 3.42Å; G214-P216 WeakPolarHBondContact O-CD 3.34Å; G214-E397 WeakPolarHBondContact CA-OE1 3.46Å
215M93.2Very high96.4Very high58 Ų5826.4 Ų26.429%0.28615%0.145SC..  trans-122.666.2-174.9-65.3-63.8-73.100110.6V165 R168 D217 I251 E397V165-M215 HydrophobicContact CB-CE 4.14Å; V165-M215 HydrophobicContact CG1-CE 4.04Å; V165-M215 HydrophobicContact CG2-CE 4.36Å; R168-M215 HydrophobicContact CB-CE 4.43Å; R168-M215 HydrophobicContact CG-CE 4.43Å; R168-M215 HydrophobicContact CG-SD 3.96Å; M215-D217 PolarHBondContact O-N 3.22Å; M215-I251 HydrophobicContact CE-CG2 4.13Å; M215-E397 PolarHBondContact N-OE1 3.19Å
216P95.7Very high96Very high0 Ų035 Ų350%018%0.175CC..  trans-64.2134.1-178.430.7-38.8000111.2L212 G214 P252 M394 E397L212-P216 HydrophobicContact CB-CB 4.41Å; L212-P216 HydrophobicContact CB-CG 3.71Å; L212-P216 HydrophobicContact CD1-CB 3.85Å; L212-P216 HydrophobicContact CD1-CG 3.68Å; L212-P216 HydrophobicContact CG-CG 4.37Å; G214-P216 VanDerWaalsContact C-CD 3.42Å; G214-P216 WeakPolarHBondContact O-CD 3.34Å; P216-P252 HydrophobicContact CG-CG 4.24Å; P216-P252 WeakPolarHBondContact O-CD 3.4Å; P216-M394 HydrophobicContact CB-CG 3.88Å; P216-M394 HydrophobicContact CB-SD 3.87Å; P216-E397 HydrophobicContact CB-CG 4.23Å
217D96.4Very high95.6Very high34 Ų3436.7 Ų36.718%0.18218%0.183CC..EExtended strand (participates in β ladder)trans-101.4115.9169.6-167.5-26.7000108.2M215 R238 I251 M394 Y395M215-D217 PolarHBondContact O-N 3.22Å; D217-R238 IonicContact OD1-CZ 3.42Å; D217-R238 IonicContact OD1-NH1 3.87Å; D217-R238 PolarHBondContact OD1-NH1 2.89Å; D217-R238 VanDerWaalsContact OD1-NH1 3.17Å; D217-R238 IonicContact OD1-NH2 3.85Å; D217-R238 IonicContact OD2-CZ 3.47Å; D217-R238 IonicContact OD2-NH1 2.74Å; D217-R238 PolarHBondContact OD2-NH1 3.13Å; D217-R238 IonicContact OD2-NH2 3.21Å; D217-R238 PolarHBondContact OD2-NH2 3.23Å; D217-I251 HydrophobicContact CB-CG1 4.38Å; D217-M394 CarbonylContact O-C 3.56Å; D217-M394 WeakPolarHBondContact O-CA 3.34Å; D217-Y395 PolarHBondContact N-O 3.11Å; D217-Y395 PolarHBondContact O-N 2.81Å
218L98.1Very high95.4Very high2 Ų234.2 Ų34.21%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-101.8143-176.7-61.7-174.5000111F181 L212 S249 F250 P252 L392 D393 M394F181-L218 HydrophobicContact CZ-CD1 4.06Å; L212-L218 HydrophobicContact CD1-CD1 4.3Å; L212-L218 HydrophobicContact CD1-CD2 4.23Å; L218-S249 WeakPolarHBondContact O-CA 3.1Å; L218-F250 HydrophobicContact CB-CD2 4.35Å; L218-F250 HydrophobicContact CB-CE1 4.19Å; L218-F250 HydrophobicContact CB-CE2 3.98Å; L218-F250 HydrophobicContact CB-CZ 3.88Å; L218-F250 HydrophobicContact CD1-CE2 3.83Å; L218-F250 HydrophobicContact CD1-CZ 4.11Å; L218-F250 HydrophobicContact CG-CE2 4.43Å; L218-F250 PolarHBondContact N-O 2.83Å; L218-F250 PolarHBondContact O-N 3.38Å; L218-P252 HydrophobicContact CD1-CB 4.42Å; L218-P252 HydrophobicContact CD1-CG 3.77Å; L218-P252 HydrophobicContact CG-CG 4.21Å; L218-L392 HydrophobicContact CB-CD1 4.46Å; L218-D393 WeakPolarHBondContact CA-O 3.43Å; L218-M394 HydrophobicContact CD2-CB 3.58Å; L218-M394 HydrophobicContact CD2-CG 3.62Å
219T97.9Very high95Very high7 Ų739.2 Ų39.24%0.04320%0.196CC..EExtended strand (participates in β ladder)trans-123.1125.3164.562.70000111.2I247 L248 L392 D393 Y395T219-I247 HydrophobicContact CG2-CG2 4.45Å; T219-L248 CarbonylContact C-O 3.49Å; T219-L248 WeakPolarHBondContact CA-O 3.44Å; T219-L392 CarbonylContact O-C 3.54Å; T219-L392 WeakPolarHBondContact O-CA 3.21Å; T219-D393 PolarHBondContact N-O 3.06Å; T219-D393 PolarHBondContact O-N 3.21Å; T219-Y395 HydrophobicContact CG2-CD2 4.35Å; T219-Y395 HydrophobicContact CG2-CE2 3.8Å
220L97.9Very high94.9Very high1 Ų142.3 Ų42.31%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-117.1123.8177.9179.964.8000109.3F181 F222 L248 F250 L259 V389 R391 L392F181-L220 HydrophobicContact CD1-CD2 4.46Å; L220-F222 HydrophobicContact CD2-CE1 4.48Å; L220-F222 HydrophobicContact CD2-CE2 4.44Å; L220-F222 HydrophobicContact CD2-CZ 3.82Å; L220-F222 HydrophobicContact CG-CE2 4.28Å; L220-F222 HydrophobicContact CG-CZ 4.02Å; L220-L248 HydrophobicContact CB-CB 4.19Å; L220-L248 HydrophobicContact CB-CD1 4.43Å; L220-L248 HydrophobicContact CD2-CD1 4.09Å; L220-L248 HydrophobicContact CG-CD1 4.44Å; L220-L248 PolarHBondContact N-O 2.87Å; L220-L248 WeakPolarHBondContact O-CB 3.38Å; L220-L248 PolarHBondContact O-N 2.74Å; L220-F250 HydrophobicContact CB-CE1 4.11Å; L220-L259 HydrophobicContact CD2-CD2 3.97Å; L220-V389 HydrophobicContact CD1-CB 4.31Å; L220-V389 HydrophobicContact CD1-CG1 3.37Å; L220-V389 HydrophobicContact CD1-CG2 3.98Å; L220-R391 WeakPolarHBondContact CA-O 3.31Å; L220-L392 HydrophobicContact CB-CD1 4.23Å; L220-L392 HydrophobicContact CD1-CB 4.13Å; L220-L392 HydrophobicContact CD1-CD1 4.22Å
221S97.3Very high94.9Very high20 Ų2043.6 Ų43.614%0.1422%0.219CC..EExtended strand (participates in β ladder)trans-120.6151.1177.767.50000111.5N390 R391S221-N390 PolarHBondContact O-N 3.37Å; S221-R391 PolarHBondContact N-O 3.02Å; S221-R391 PolarHBondContact O-N 2.83Å; S221-R391 PolarHBondContact OG-N 2.83Å
222F97.3Very high94.9Very high11 Ų1143.8 Ų43.85%0.04823%0.229CC..EExtended strand (participates in β ladder)trans-114.7152.1-179.3-57.6-89000110.6I206 L220 N224 P225 L228 L248 L387 K388 V389I206-F222 HydrophobicContact CD1-CE1 3.78Å; I206-F222 HydrophobicContact CD1-CZ 3.62Å; L220-F222 HydrophobicContact CD2-CE1 4.48Å; L220-F222 HydrophobicContact CD2-CE2 4.44Å; L220-F222 HydrophobicContact CD2-CZ 3.82Å; L220-F222 HydrophobicContact CG-CE2 4.28Å; L220-F222 HydrophobicContact CG-CZ 4.02Å; F222-N224 PolarHBondContact O-N 3.21Å; F222-P225 HydrophobicContact CB-CB 4.44Å; F222-L228 HydrophobicContact CD1-CD1 4.43Å; F222-L228 HydrophobicContact CD2-CD1 3.6Å; F222-L228 HydrophobicContact CE1-CD1 4.33Å; F222-L228 HydrophobicContact CE2-CD1 3.49Å; F222-L228 VanDerWaalsContact CE2-CD1 3.49Å; F222-L228 HydrophobicContact CG-CD1 4.09Å; F222-L228 HydrophobicContact CZ-CD1 3.88Å; F222-L248 HydrophobicContact CE2-CD1 3.51Å; F222-L248 HydrophobicContact CE2-CG 4.07Å; F222-L248 HydrophobicContact CZ-CD1 3.88Å; F222-L387 HydrophobicContact CB-CD1 4.25Å; F222-L387 HydrophobicContact CD1-CD1 3.68Å; F222-L387 HydrophobicContact CD1-CD2 4.29Å; F222-L387 HydrophobicContact CD1-CG 3.97Å; F222-L387 HydrophobicContact CE1-CD1 4.3Å; F222-L387 HydrophobicContact CE1-CD2 4.13Å; F222-L387 HydrophobicContact CE1-CG 4.3Å; F222-L387 HydrophobicContact CG-CD1 4.08Å; F222-K388 CarbonylContact C-O 3.55Å; F222-K388 WeakPolarHBondContact CA-O 3.42Å; F222-V389 HydrophobicContact CD1-CG2 4Å; F222-V389 HydrophobicContact CE1-CG2 3.72Å
223M96.5Very high94.9Very high117 Ų11745.9 Ų45.958%0.57624%0.239SC*.SBendtrans-68.2-28.6172.7-69.1-63.4-62.600111.7K388 N390M223-K388 HydrophobicContact CB-CB 4.32Å; M223-K388 HydrophobicContact CG-CB 4.28Å; M223-K388 HydrophobicContact CG-CD 4.23Å; M223-K388 HydrophobicContact CG-CG 4.19Å; M223-K388 PolarHBondContact N-O 3.17Å; M223-N390 HydrophobicContact CG-CB 3.94Å; M223-N390 HydrophobicContact SD-CB 3.69Å; M223-N390 VanDerWaalsContact SD-CG 3.53Å; M223-N390 PolarHBondContact SD-OD1 2.81Å
224N93.3Very high94.9Very high46 Ų4646.2 Ų46.225%0.24624%0.238CC..  trans-137.663.1-171.645.5-10.8000110.7F222 R226 L227 G386 K388F222-N224 PolarHBondContact O-N 3.21Å; N224-R226 PolarHBondContact O-N 3.3Å; N224-R226 VanDerWaalsContact O-N 3.11Å; N224-L227 HydrophobicContact CB-CD1 4.27Å; N224-L227 WeakPolarHBondContact ND2-CD1 3.28Å; N224-L227 PolarHBondContact O-N 2.86Å; N224-G386 VanDerWaalsContact ND2-C 3.31Å; N224-G386 PolarHBondContact ND2-O 3.11Å; N224-K388 PolarHBondContact OD1-N 3.02Å
225P93.4Very high94.9Very high32 Ų3249.6 Ų49.621%0.20826%0.258CS..G310 helixtrans-65.8-15.8-174.827.9-35.5000114F222 L227 L228 W242 R246F222-P225 HydrophobicContact CB-CB 4.44Å; P225-L227 PolarHBondContact O-N 3.29Å; P225-L228 WeakPolarHBondContact O-CB 3.49Å; P225-L228 PolarHBondContact O-N 3.1Å; P225-W242 HydrophobicContact CB-CH2 4.06Å; P225-R246 HydrophobicContact CB-CB 3.92Å; P225-R246 HydrophobicContact CG-CB 4.1Å
226R89.9Confident95Very high206 Ų20647 Ų4778%0.77725%0.245SC*.G310 helixtrans-63.6-17.7174.5-65.1-167.9-65.1-98.11.7113.7N224 L228 D229N224-R226 PolarHBondContact O-N 3.3Å; N224-R226 VanDerWaalsContact O-N 3.11Å; R226-L228 PolarHBondContact O-N 3.05Å; R226-D229 VanDerWaalsContact O-CG 3.28Å
227L91.1Very high95.1Very high36 Ų3647.6 Ų47.619%0.18825%0.249CC..G310 helixtrans-71.2-10.6171.6-65.5176.3000112.5N224 P225 S385 L387N224-L227 HydrophobicContact CB-CD1 4.27Å; N224-L227 WeakPolarHBondContact ND2-CD1 3.28Å; N224-L227 PolarHBondContact O-N 2.86Å; P225-L227 PolarHBondContact O-N 3.29Å; L227-S385 WeakPolarHBondContact CD1-O 3.42Å; L227-L387 HydrophobicContact CB-CD1 4.28Å; L227-L387 HydrophobicContact CD1-CB 4.13Å; L227-L387 HydrophobicContact CD1-CD1 4.41Å
228L93.1Very high95.1Very high1 Ų150.9 Ų50.91%0.00526%0.258CS..G310 helixtrans-109.338.3-178.9-56.9175.7000111.2F222 P225 R226 V231 W242 L260 Y262 L387F222-L228 HydrophobicContact CD1-CD1 4.43Å; F222-L228 HydrophobicContact CD2-CD1 3.6Å; F222-L228 HydrophobicContact CE1-CD1 4.33Å; F222-L228 HydrophobicContact CE2-CD1 3.49Å; F222-L228 VanDerWaalsContact CE2-CD1 3.49Å; F222-L228 HydrophobicContact CG-CD1 4.09Å; F222-L228 HydrophobicContact CZ-CD1 3.88Å; P225-L228 WeakPolarHBondContact O-CB 3.49Å; P225-L228 PolarHBondContact O-N 3.1Å; R226-L228 PolarHBondContact O-N 3.05Å; L228-V231 WeakPolarHBondContact O-CG1 3.4Å; L228-W242 HydrophobicContact CB-CH2 3.83Å; L228-W242 HydrophobicContact CB-CZ2 3.76Å; L228-W242 HydrophobicContact CD1-CH2 3.82Å; L228-W242 HydrophobicContact CG-CH2 4.45Å; L228-L260 HydrophobicContact CD2-CD1 4.48Å; L228-Y262 HydrophobicContact CD2-CD1 3.64Å; L228-Y262 HydrophobicContact CD2-CD2 3.64Å; L228-Y262 HydrophobicContact CD2-CE1 4.19Å; L228-Y262 HydrophobicContact CD2-CE2 4.2Å; L228-Y262 HydrophobicContact CD2-CG 3.32Å; L228-L387 HydrophobicContact CD1-CD1 4.23Å; L228-L387 HydrophobicContact CD2-CD1 4.35Å; L228-L387 HydrophobicContact CD2-CD2 4.07Å; L228-L387 HydrophobicContact CG-CD1 4.12Å
229D89.9Confident95Very high108 Ų10856.3 Ų56.358%0.57828%0.282SS*.SBendtrans-80.5-30.1177.3-74.8-20.9000112.2R226R226-D229 VanDerWaalsContact O-CG 3.28Å
230D94.4Very high94.9Very high91 Ų9164.2 Ų64.249%0.48732%0.316SS..EExtended strand (participates in β ladder)trans-106.494.8169.2-1766.2000108.6Y262 H263D230-Y262 CarbonylContact O-C 3.54Å; D230-Y262 WeakPolarHBondContact O-CA 3.39Å; D230-Y262 WeakPolarHBondContact O-CB 3.25Å; D230-H263 HydrophobicContact CB-CB 4.41Å; D230-H263 PolarHBondContact O-N 2.88Å; D230-H263 IonicContact OD2-CG 3.95Å; D230-H263 IonicContact OD2-ND1 2.81Å; D230-H263 PolarHBondContact OD2-ND1 3.06Å
231V95.8Very high94.8Very high28 Ų2868.3 Ų68.317%0.1733%0.331CS..EExtended strand (participates in β ladder)trans-143.1138-167.962.30000111.6L228 F233 L260 S261L228-V231 WeakPolarHBondContact O-CG1 3.4Å; V231-F233 HydrophobicContact CB-CE1 4.41Å; V231-F233 HydrophobicContact CB-CZ 4.1Å; V231-F233 HydrophobicContact CG1-CD2 4.44Å; V231-F233 HydrophobicContact CG1-CE1 4.05Å; V231-F233 HydrophobicContact CG1-CE2 3.53Å; V231-F233 HydrophobicContact CG1-CZ 3.29Å; V231-F233 HydrophobicContact CG2-CD1 3.98Å; V231-F233 HydrophobicContact CG2-CE1 3.43Å; V231-F233 VanDerWaalsContact CG2-CE1 3.43Å; V231-F233 HydrophobicContact CG2-CE2 4.27Å; V231-F233 HydrophobicContact CG2-CZ 3.61Å; V231-L260 HydrophobicContact CG2-CB 4.15Å; V231-L260 HydrophobicContact CG2-CD1 4.3Å; V231-L260 HydrophobicContact CG2-CD2 4.32Å; V231-S261 CarbonylContact C-O 3.51Å; V231-S261 WeakPolarHBondContact CA-O 3.31Å; V231-S261 WeakPolarHBondContact CG2-O 3.38Å
232S96.8Very high94.8Very high76 Ų7667.8 Ų67.853%0.53133%0.326SS..EExtended strand (participates in β ladder)trans-112.5125170.3-65.20000109.2L260 S261S232-L260 CarbonylContact O-C 3.55Å; S232-L260 WeakPolarHBondContact O-CA 3.42Å; S232-L260 WeakPolarHBondContact O-CB 3.41Å; S232-S261 PolarHBondContact N-O 3.36Å; S232-S261 PolarHBondContact O-N 2.86Å
233F97.4Very high94.7Very high45 Ų4573 Ų7320%0.19735%0.351CS..EExtended strand (participates in β ladder)trans-100149.7-176.8-62.7-65.3000112.3V231 V237 F239 W242 L248 L260V231-F233 HydrophobicContact CB-CE1 4.41Å; V231-F233 HydrophobicContact CB-CZ 4.1Å; V231-F233 HydrophobicContact CG1-CD2 4.44Å; V231-F233 HydrophobicContact CG1-CE1 4.05Å; V231-F233 HydrophobicContact CG1-CE2 3.53Å; V231-F233 HydrophobicContact CG1-CZ 3.29Å; V231-F233 HydrophobicContact CG2-CD1 3.98Å; V231-F233 HydrophobicContact CG2-CE1 3.43Å; V231-F233 VanDerWaalsContact CG2-CE1 3.43Å; V231-F233 HydrophobicContact CG2-CE2 4.27Å; V231-F233 HydrophobicContact CG2-CZ 3.61Å; F233-V237 HydrophobicContact CB-CB 3.94Å; F233-V237 HydrophobicContact CB-CG1 4.41Å; F233-V237 HydrophobicContact CB-CG2 4.09Å; F233-V237 HydrophobicContact CD1-CB 4.29Å; F233-V237 HydrophobicContact CD1-CG1 4.03Å; F233-V237 HydrophobicContact CD1-CG2 4.13Å; F233-V237 HydrophobicContact CG-CB 4.18Å; F233-V237 HydrophobicContact CG-CG1 4.11Å; F233-V237 HydrophobicContact CG-CG2 4.39Å; F233-F239 HydrophobicContact CD2-CD2 4.03Å; F233-F239 HydrophobicContact CD2-CE2 4.46Å; F233-F239 HydrophobicContact CE2-CD2 4.1Å; F233-F239 HydrophobicContact CE2-CE2 4.25Å; F233-W242 HydrophobicContact CE1-CD2 4.43Å; F233-W242 AromaticContact CE2-CD1 3.51Å; F233-W242 HydrophobicContact CE2-CD2 4.49Å; F233-W242 AromaticContact CE2-CG 3.98Å; F233-W242 HydrophobicContact CE2-CG 3.98Å; F233-W242 AromaticContact CE2-NE1 3.77Å; F233-W242 AromaticContact CZ-CD1 3.48Å; F233-W242 VanDerWaalsContact CZ-CD1 3.48Å; F233-W242 AromaticContact CZ-CD2 3.73Å; F233-W242 HydrophobicContact CZ-CD2 3.73Å; F233-W242 AromaticContact CZ-CE2 3.6Å; F233-W242 AromaticContact CZ-CG 3.67Å; F233-W242 HydrophobicContact CZ-CG 3.67Å; F233-W242 HydrophobicContact CZ-CZ2 4.31Å; F233-W242 AromaticContact CZ-NE1 3.42Å; F233-L248 HydrophobicContact CD1-CD2 3.92Å; F233-L248 HydrophobicContact CE1-CD2 3.34Å; F233-L248 HydrophobicContact CZ-CD2 4.04Å; F233-L260 HydrophobicContact CD1-CB 3.9Å; F233-L260 HydrophobicContact CD1-CD2 4.1Å; F233-L260 HydrophobicContact CE1-CB 4.35Å; F233-L260 HydrophobicContact CE1-CD2 3.86Å
234H95.4Very high94.7Very high37 Ų3771.3 Ų71.317%0.17136%0.356CS..  trans-59.8144.4158.1-166.9-85.9000109.9C236 V237 P253 F257 R258 L259H234-C236 WeakPolarHBondContact ND1-CB 3.46Å; H234-C236 PolarHBondContact ND1-N 2.93Å; H234-C236 VanDerWaalsContact ND1-N 3.12Å; H234-C236 PolarHBondContact ND1-SG 2.92Å; H234-C236 PolarHBondContact O-N 3.37Å; H234-V237 PolarHBondContact O-N 2.89Å; H234-P253 VanDerWaalsContact CE1-CG 3.47Å; H234-P253 WeakPolarHBondContact CE1-CG 3.43Å; H234-F257 AromaticContact CD2-CD2 3.98Å; H234-R258 WeakPolarHBondContact CB-O 3.49Å; H234-R258 PolarHBondContact CD2-O 2.83Å; H234-L259 VanDerWaalsContact CB-O 3.29Å; H234-L259 WeakPolarHBondContact CB-O 3.24Å; H234-L259 PolarHBondContact N-O 2.88Å
235P92.9Very high94.8Very high86 Ų8674 Ų7456%0.55837%0.367SS*.THydrogen-bonded Turntrans-54-15.9176.1-29.635.8000115.5W167 V237W167-P235 HydrophobicContact CE3-CB 4.17Å; W167-P235 VanDerWaalsContact CH2-O 3.31Å; W167-P235 WeakPolarHBondContact CH2-O 3.38Å; W167-P235 HydrophobicContact CZ3-CB 4.08Å; W167-P235 WeakPolarHBondContact CZ3-O 3.46Å; P235-V237 PolarHBondContact O-N 2.76Å
236C95.2Very high94.9Very high3 Ų377 Ų772%0.0237%0.374CS..THydrogen-bonded Turntrans-72.3-16.8178.770.70000113.7W167 H234 F250 I251W167-C236 HydrophobicContact CD2-CB 3.93Å; W167-C236 VanDerWaalsContact CE2-CB 3.44Å; W167-C236 HydrophobicContact CG-CB 4.19Å; W167-C236 VanDerWaalsContact CZ2-CA 3.43Å; W167-C236 HydrophobicContact CZ2-CB 3.87Å; W167-C236 VanDerWaalsContact NE1-CB 3.32Å; H234-C236 WeakPolarHBondContact ND1-CB 3.46Å; H234-C236 PolarHBondContact ND1-N 2.93Å; H234-C236 VanDerWaalsContact ND1-N 3.12Å; H234-C236 PolarHBondContact ND1-SG 2.92Å; H234-C236 PolarHBondContact O-N 3.37Å; C236-F250 HydrophobicContact CB-CB 4.32Å; C236-F250 VanDerWaalsContact O-CA 3.26Å; C236-F250 WeakPolarHBondContact O-CA 3.27Å; C236-F250 WeakPolarHBondContact O-CB 3.34Å; C236-I251 WeakPolarHBondContact CB-O 3.33Å
237V97.5Very high95.2Very high13 Ų1369.3 Ų69.38%0.07935%0.348CS..BIsolated β-bridgetrans-81.3127.4-179.6-178.50000110.6F233 H234 P235 F239 L248 F250 L259F233-V237 HydrophobicContact CB-CB 3.94Å; F233-V237 HydrophobicContact CB-CG1 4.41Å; F233-V237 HydrophobicContact CB-CG2 4.09Å; F233-V237 HydrophobicContact CD1-CB 4.29Å; F233-V237 HydrophobicContact CD1-CG1 4.03Å; F233-V237 HydrophobicContact CD1-CG2 4.13Å; F233-V237 HydrophobicContact CG-CB 4.18Å; F233-V237 HydrophobicContact CG-CG1 4.11Å; F233-V237 HydrophobicContact CG-CG2 4.39Å; H234-V237 PolarHBondContact O-N 2.89Å; P235-V237 PolarHBondContact O-N 2.76Å; V237-F239 PolarHBondContact O-N 2.83Å; V237-L248 HydrophobicContact CG1-CD2 3.86Å; V237-F250 HydrophobicContact CG2-CB 4.36Å; V237-L259 HydrophobicContact CG2-CD1 3.8Å
238R96.8Very high95.5Very high103 Ų10367.6 Ų67.639%0.38934%0.339SS..  trans-74.188.5174.5-62.8175.3-175.5146.7-3.3110.2D217 K240 R241 W242 S249D217-R238 IonicContact OD1-CZ 3.42Å; D217-R238 IonicContact OD1-NH1 3.87Å; D217-R238 PolarHBondContact OD1-NH1 2.89Å; D217-R238 VanDerWaalsContact OD1-NH1 3.17Å; D217-R238 IonicContact OD1-NH2 3.85Å; D217-R238 IonicContact OD2-CZ 3.47Å; D217-R238 IonicContact OD2-NH1 2.74Å; D217-R238 PolarHBondContact OD2-NH1 3.13Å; D217-R238 IonicContact OD2-NH2 3.21Å; D217-R238 PolarHBondContact OD2-NH2 3.23Å; R238-K240 VanDerWaalsContact C-N 3.34Å; R238-K240 PolarHBondContact O-N 2.82Å; R238-R241 HydrophobicContact CB-CB 4.4Å; R238-R241 PolarHBondContact O-N 2.9Å; R238-W242 PolarHBondContact O-N 3.03Å; R238-S249 WeakPolarHBondContact CB-O 3.39Å; R238-S249 WeakPolarHBondContact CG-O 3.39Å; R238-S249 PolarHBondContact N-O 3.39Å; R238-S249 PolarHBondContact NH1-OG 3.49Å
239F95.1Very high95.7Very high115 Ų11567.6 Ų67.650%0.50434%0.339SS..Hα-helixtrans-51-45.7-174.4-176.3-98.8000114.1F233 V237 R241 W242 E243F233-F239 HydrophobicContact CD2-CD2 4.03Å; F233-F239 HydrophobicContact CD2-CE2 4.46Å; F233-F239 HydrophobicContact CE2-CD2 4.1Å; F233-F239 HydrophobicContact CE2-CE2 4.25Å; V237-F239 PolarHBondContact O-N 2.83Å; F239-R241 PolarHBondContact O-N 2.8Å; F239-R241 VanDerWaalsContact O-N 3.16Å; F239-W242 WeakPolarHBondContact O-CB 3.24Å; F239-W242 PolarHBondContact O-N 2.91Å; F239-E243 HydrophobicContact CE1-CB 4.46Å; F239-E243 PolarHBondContact O-N 2.81Å
240K95.6Very high96.1Very high173 Ų17362.4 Ų62.475%0.75231%0.311SS*.Hα-helixtrans-56.4-35.7179.6-67.2-173.8177.7-178.10113.2R238 A244R238-K240 VanDerWaalsContact C-N 3.34Å; R238-K240 PolarHBondContact O-N 2.82Å; K240-A244 PolarHBondContact O-N 2.86Å
241R96.4Very high96.2Very high87 Ų8759.2 Ų59.233%0.32829%0.294SS..Hα-helixtrans-75.7-37.5178.3-171.4171.2178.5-1724.9111.8R238 F239 E243 A244 E245 S249R238-R241 HydrophobicContact CB-CB 4.4Å; R238-R241 PolarHBondContact O-N 2.9Å; F239-R241 PolarHBondContact O-N 2.8Å; F239-R241 VanDerWaalsContact O-N 3.16Å; R241-E243 VanDerWaalsContact C-N 3.33Å; R241-A244 PolarHBondContact O-N 3.07Å; R241-E245 HydrophobicContact CG-CG 4.43Å; R241-E245 IonicContact CZ-OE2 3.06Å; R241-E245 IonicContact NE-OE1 3.31Å; R241-E245 IonicContact NE-OE2 3.52Å; R241-E245 PolarHBondContact NE-OE2 3.09Å; R241-E245 IonicContact NH2-OE2 3.36Å; R241-E245 PolarHBondContact NH2-OE2 3.37Å; R241-E245 WeakPolarHBondContact O-CB 3.09Å; R241-E245 PolarHBondContact O-N 2.95Å; R241-S249 PolarHBondContact NH1-OG 3.49Å
242W96.7Very high96.2Very high9 Ų957.9 Ų57.93%0.03429%0.286CS..Hα-helixtrans-60.4-44170.9170.3-101.7000111.7P225 L228 F233 R238 F239 A244 R246 L248P225-W242 HydrophobicContact CB-CH2 4.06Å; L228-W242 HydrophobicContact CB-CH2 3.83Å; L228-W242 HydrophobicContact CB-CZ2 3.76Å; L228-W242 HydrophobicContact CD1-CH2 3.82Å; L228-W242 HydrophobicContact CG-CH2 4.45Å; F233-W242 HydrophobicContact CE1-CD2 4.43Å; F233-W242 AromaticContact CE2-CD1 3.51Å; F233-W242 HydrophobicContact CE2-CD2 4.49Å; F233-W242 AromaticContact CE2-CG 3.98Å; F233-W242 HydrophobicContact CE2-CG 3.98Å; F233-W242 AromaticContact CE2-NE1 3.77Å; F233-W242 AromaticContact CZ-CD1 3.48Å; F233-W242 VanDerWaalsContact CZ-CD1 3.48Å; F233-W242 AromaticContact CZ-CD2 3.73Å; F233-W242 HydrophobicContact CZ-CD2 3.73Å; F233-W242 AromaticContact CZ-CE2 3.6Å; F233-W242 AromaticContact CZ-CG 3.67Å; F233-W242 HydrophobicContact CZ-CG 3.67Å; F233-W242 HydrophobicContact CZ-CZ2 4.31Å; F233-W242 AromaticContact CZ-NE1 3.42Å; R238-W242 PolarHBondContact O-N 3.03Å; F239-W242 WeakPolarHBondContact O-CB 3.24Å; F239-W242 PolarHBondContact O-N 2.91Å; W242-A244 PolarHBondContact O-N 2.83Å; W242-R246 VanDerWaalsContact CE3-C 3.48Å; W242-R246 HydrophobicContact CH2-CB 4.46Å; W242-R246 VanDerWaalsContact CZ3-C 3.49Å; W242-R246 HydrophobicContact CZ3-CB 4.31Å; W242-R246 VanDerWaalsContact CZ3-O 3.3Å; W242-R246 WeakPolarHBondContact CZ3-O 3.36Å; W242-R246 WeakPolarHBondContact O-CA 3.15Å; W242-R246 PolarHBondContact O-N 2.79Å; W242-R246 PolarHBondContact O-NH1 3.32Å; W242-R246 VanDerWaalsContact O-NH1 3.08Å; W242-L248 HydrophobicContact CD2-CD2 4Å; W242-L248 HydrophobicContact CE3-CD2 3.46Å; W242-L248 VanDerWaalsContact CE3-CD2 3.46Å; W242-L248 HydrophobicContact CE3-CG 3.96Å; W242-L248 HydrophobicContact CZ3-CD2 3.93Å; W242-L248 HydrophobicContact CZ3-CG 4.08Å
243E95.4Very high96.1Very high120 Ų12054.6 Ų54.656%0.56126%0.263SS*.Hα-helixtrans-61.3-43.4179.6-173.5176.3-129.700112.2F239 R241 R246F239-E243 HydrophobicContact CE1-CB 4.46Å; F239-E243 PolarHBondContact O-N 2.81Å; R241-E243 VanDerWaalsContact C-N 3.33Å; E243-R246 PolarHBondContact O-NH1 2.91Å
244A96.2Very high95.8Very high83 Ų8353.2 Ų53.269%0.68626%0.257SS*.Hα-helixtrans-80.2-42.3-17800000114.1K240 R241 W242K240-A244 PolarHBondContact O-N 2.86Å; R241-A244 PolarHBondContact O-N 3.07Å; W242-A244 PolarHBondContact O-N 2.83Å
245E95.8Very high95.7Very high103 Ų10352.3 Ų52.348%0.48126%0.258SS..Hα-helixtrans-114.4-12-166.9-61.9172.5-161.600113.5R241 I247R241-E245 HydrophobicContact CG-CG 4.43Å; R241-E245 IonicContact CZ-OE2 3.06Å; R241-E245 IonicContact NE-OE1 3.31Å; R241-E245 IonicContact NE-OE2 3.52Å; R241-E245 PolarHBondContact NE-OE2 3.09Å; R241-E245 IonicContact NH2-OE2 3.36Å; R241-E245 PolarHBondContact NH2-OE2 3.37Å; R241-E245 WeakPolarHBondContact O-CB 3.09Å; R241-E245 PolarHBondContact O-N 2.95Å; E245-I247 HydrophobicContact CB-CB 4.25Å; E245-I247 HydrophobicContact CB-CD1 4.13Å; E245-I247 HydrophobicContact CB-CG1 4.11Å; E245-I247 PolarHBondContact O-N 2.92Å
246R95.3Very high95.6Very high93 Ų9354.7 Ų54.735%0.35127%0.266SS..SBendtrans53.435.7-168.4-65.8-70.1-175.6-84.8-0.5112.8P225 W242 E243P225-R246 HydrophobicContact CB-CB 3.92Å; P225-R246 HydrophobicContact CG-CB 4.1Å; W242-R246 VanDerWaalsContact CE3-C 3.48Å; W242-R246 HydrophobicContact CH2-CB 4.46Å; W242-R246 VanDerWaalsContact CZ3-C 3.49Å; W242-R246 HydrophobicContact CZ3-CB 4.31Å; W242-R246 VanDerWaalsContact CZ3-O 3.3Å; W242-R246 WeakPolarHBondContact CZ3-O 3.36Å; W242-R246 WeakPolarHBondContact O-CA 3.15Å; W242-R246 PolarHBondContact O-N 2.79Å; W242-R246 PolarHBondContact O-NH1 3.32Å; W242-R246 VanDerWaalsContact O-NH1 3.08Å; E243-R246 PolarHBondContact O-NH1 2.91Å
247I96.1Very high95.5Very high46 Ų4655.7 Ų55.724%0.23627%0.27CS..  trans-115.1126.9174.1-64.1174.1000108.4T219 E245 S249T219-I247 HydrophobicContact CG2-CG2 4.45Å; E245-I247 HydrophobicContact CB-CB 4.25Å; E245-I247 HydrophobicContact CB-CD1 4.13Å; E245-I247 HydrophobicContact CB-CG1 4.11Å; E245-I247 PolarHBondContact O-N 2.92Å; I247-S249 PolarHBondContact O-N 3.42Å
248L97.3Very high95.5Very high0 Ų061 Ų610%029%0.289CS..EExtended strand (participates in β ladder)trans-76.4120.9170.6-59.9176.2000108.4T219 L220 F222 F233 V237 W242 F250 L259 L260T219-L248 CarbonylContact C-O 3.49Å; T219-L248 WeakPolarHBondContact CA-O 3.44Å; L220-L248 HydrophobicContact CB-CB 4.19Å; L220-L248 HydrophobicContact CB-CD1 4.43Å; L220-L248 HydrophobicContact CD2-CD1 4.09Å; L220-L248 HydrophobicContact CG-CD1 4.44Å; L220-L248 PolarHBondContact N-O 2.87Å; L220-L248 WeakPolarHBondContact O-CB 3.38Å; L220-L248 PolarHBondContact O-N 2.74Å; F222-L248 HydrophobicContact CE2-CD1 3.51Å; F222-L248 HydrophobicContact CE2-CG 4.07Å; F222-L248 HydrophobicContact CZ-CD1 3.88Å; F233-L248 HydrophobicContact CD1-CD2 3.92Å; F233-L248 HydrophobicContact CE1-CD2 3.34Å; F233-L248 HydrophobicContact CZ-CD2 4.04Å; V237-L248 HydrophobicContact CG1-CD2 3.86Å; W242-L248 HydrophobicContact CD2-CD2 4Å; W242-L248 HydrophobicContact CE3-CD2 3.46Å; W242-L248 VanDerWaalsContact CE3-CD2 3.46Å; W242-L248 HydrophobicContact CE3-CG 3.96Å; W242-L248 HydrophobicContact CZ3-CD2 3.93Å; W242-L248 HydrophobicContact CZ3-CG 4.08Å; L248-F250 HydrophobicContact CB-CD1 4.21Å; L248-F250 HydrophobicContact CB-CE1 4.18Å; L248-L259 HydrophobicContact CD1-CD2 4.24Å; L248-L260 HydrophobicContact CD1-CD2 3.48Å; L248-L260 VanDerWaalsContact CD1-CD2 3.48Å; L248-L260 HydrophobicContact CD2-CD2 4.27Å
249S97.9Very high95.5Very high0 Ų056.1 Ų56.10%027%0.27CS..EExtended strand (participates in β ladder)trans-124.8126.8173.4178.70000109L218 R238 R241 I247L218-S249 WeakPolarHBondContact O-CA 3.1Å; R238-S249 WeakPolarHBondContact CB-O 3.39Å; R238-S249 WeakPolarHBondContact CG-O 3.39Å; R238-S249 PolarHBondContact N-O 3.39Å; R238-S249 PolarHBondContact NH1-OG 3.49Å; R241-S249 PolarHBondContact NH1-OG 3.49Å; I247-S249 PolarHBondContact O-N 3.42Å
250F97.8Very high95.7Very high0 Ų050.8 Ų50.80%025%0.247CC..EExtended strand (participates in β ladder)trans-159.8150.8-171.256.6-79.8000112.2F181 L218 L220 C236 V237 L248 P252 F257 L259F181-F250 HydrophobicContact CE1-CE2 4.34Å; F181-F250 AromaticContact CE1-CZ 3.94Å; F181-F250 HydrophobicContact CE1-CZ 3.94Å; F181-F250 HydrophobicContact CZ-CE2 4.45Å; F181-F250 HydrophobicContact CZ-CZ 4.1Å; L218-F250 HydrophobicContact CB-CD2 4.35Å; L218-F250 HydrophobicContact CB-CE1 4.19Å; L218-F250 HydrophobicContact CB-CE2 3.98Å; L218-F250 HydrophobicContact CB-CZ 3.88Å; L218-F250 HydrophobicContact CD1-CE2 3.83Å; L218-F250 HydrophobicContact CD1-CZ 4.11Å; L218-F250 HydrophobicContact CG-CE2 4.43Å; L218-F250 PolarHBondContact N-O 2.83Å; L218-F250 PolarHBondContact O-N 3.38Å; L220-F250 HydrophobicContact CB-CE1 4.11Å; C236-F250 HydrophobicContact CB-CB 4.32Å; C236-F250 VanDerWaalsContact O-CA 3.26Å; C236-F250 WeakPolarHBondContact O-CA 3.27Å; C236-F250 WeakPolarHBondContact O-CB 3.34Å; V237-F250 HydrophobicContact CG2-CB 4.36Å; L248-F250 HydrophobicContact CB-CD1 4.21Å; L248-F250 HydrophobicContact CB-CE1 4.18Å; F250-P252 HydrophobicContact CD2-CB 3.96Å; F250-P252 HydrophobicContact CE2-CB 3.98Å; F250-F257 HydrophobicContact CE2-CZ 4.47Å; F250-L259 HydrophobicContact CD1-CD1 4.15Å; F250-L259 HydrophobicContact CD2-CD1 3.92Å; F250-L259 HydrophobicContact CE1-CD1 4.07Å; F250-L259 HydrophobicContact CE1-CD2 4.03Å; F250-L259 HydrophobicContact CE2-CD1 3.81Å; F250-L259 HydrophobicContact CE2-CD2 4.4Å; F250-L259 HydrophobicContact CG-CD1 4.1Å; F250-L259 HydrophobicContact CZ-CD1 3.9Å; F250-L259 HydrophobicContact CZ-CD2 3.78Å
251I96.8Very high95.8Very high24 Ų2444.6 Ų44.612%0.12323%0.225CC..  trans-96.7112161.8-66.4168000106V165 W167 R168 M215 D217 C236V165-I251 HydrophobicContact CG1-CB 4.02Å; V165-I251 HydrophobicContact CG1-CD1 4.48Å; V165-I251 HydrophobicContact CG1-CG2 3.75Å; V165-I251 HydrophobicContact CG2-CD1 3.88Å; W167-I251 PolarHBondContact NE1-O 3.1Å; R168-I251 HydrophobicContact CB-CG2 4.33Å; R168-I251 HydrophobicContact CG-CG2 4.46Å; M215-I251 HydrophobicContact CE-CG2 4.13Å; D217-I251 HydrophobicContact CB-CG1 4.38Å; C236-I251 WeakPolarHBondContact CB-O 3.33Å
252P96.1Very high95.8Very high0 Ų040.9 Ų40.90%021%0.211CC..PPolyproline II helixtrans-72.1145.2-171.428.1-35.1000112.6R168 V210 P216 L218 F250 F257R168-P252 VanDerWaalsContact CD-O 3.23Å; R168-P252 WeakPolarHBondContact CD-O 3.24Å; R168-P252 PolarHBondContact NH1-O 3.36Å; V210-P252 HydrophobicContact CB-CB 4.22Å; V210-P252 HydrophobicContact CB-CG 4.4Å; V210-P252 HydrophobicContact CG1-CB 4.01Å; V210-P252 HydrophobicContact CG1-CG 3.65Å; V210-P252 HydrophobicContact CG2-CB 3.98Å; V210-P252 HydrophobicContact CG2-CG 4.38Å; P216-P252 HydrophobicContact CG-CG 4.24Å; P216-P252 WeakPolarHBondContact O-CD 3.4Å; L218-P252 HydrophobicContact CD1-CB 4.42Å; L218-P252 HydrophobicContact CD1-CG 3.77Å; L218-P252 HydrophobicContact CG-CG 4.21Å; F250-P252 HydrophobicContact CD2-CB 3.96Å; F250-P252 HydrophobicContact CE2-CB 3.98Å; P252-F257 HydrophobicContact CB-CE1 3.87Å; P252-F257 HydrophobicContact CB-CZ 3.74Å
253P94.1Very high95.8Very high7 Ų743 Ų435%0.04522%0.221CC..PPolyproline II helixtrans-49.2153.3157.2-2231.1000111.6W167 H234 F257W167-P253 HydrophobicContact CB-CG 4.08Å; W167-P253 HydrophobicContact CG-CG 4.18Å; H234-P253 VanDerWaalsContact CE1-CG 3.47Å; H234-P253 WeakPolarHBondContact CE1-CG 3.43Å; P253-F257 HydrophobicContact CB-CB 4.3Å; P253-F257 HydrophobicContact CB-CD1 3.92Å; P253-F257 HydrophobicContact CB-CE1 4.41Å; P253-F257 HydrophobicContact CB-CG 4Å; P253-F257 HydrophobicContact CG-CB 4.24Å; P253-F257 HydrophobicContact CG-CD1 4.04Å; P253-F257 HydrophobicContact CG-CD2 3.8Å; P253-F257 HydrophobicContact CG-CE1 4.36Å; P253-F257 HydrophobicContact CG-CE2 4.15Å; P253-F257 HydrophobicContact CG-CG 3.76Å; P253-F257 HydrophobicContact CG-CZ 4.44Å
254D91.5Very high95.7Very high15 Ų1537.5 Ų37.58%0.0820%0.196CC..SBendtrans-79.6136.6172.4-170.554.9000110.7N128 R169 V172 Y174N128-D254 PolarHBondContact ND2-N 3.46Å; N128-D254 PolarHBondContact ND2-O 3.31Å; R169-D254 IonicContact NH2-OD2 3.55Å; R169-D254 PolarHBondContact NH2-OD2 2.65Å; V172-D254 WeakPolarHBondContact CG1-OD1 3.38Å; Y174-D254 VanDerWaalsContact CE2-OD1 3.28Å; Y174-D254 WeakPolarHBondContact CE2-OD1 3.34Å; Y174-D254 PolarHBondContact OH-OD1 3.19Å; Y174-D254 VanDerWaalsContact OH-OD1 3.05Å; Y174-D254 PolarHBondContact OH-OD2 2.78Å
255G92.3Very high95.3Very high18 Ų1835.3 Ų35.319%0.18618%0.176CC..EExtended strand (participates in β ladder)trans84-144.4179.800000114.4C209 V210C209-G255 WeakPolarHBondContact CA-O 3.5Å; V210-G255 PolarHBondContact N-O 3.11Å; V210-G255 PolarHBondContact O-N 3.09Å
256N92.3Very high94.3Very high137 Ų13733.4 Ų33.473%0.73317%0.174SC*.EExtended strand (participates in β ladder)trans-87.5131.8-176.7-60.1-43.7000110.6A208 C209A208-N256 CarbonylContact O-C 3.15Å; A208-N256 VanDerWaalsContact O-CA 3.28Å; A208-N256 WeakPolarHBondContact O-CA 3.41Å; C209-N256 VanDerWaalsContact CB-OD1 3.31Å; C209-N256 WeakPolarHBondContact CB-OD1 3.13Å; C209-N256 PolarHBondContact SG-OD1 3.49Å
257F93.6Very high93.2Very high24 Ų2437.5 Ų37.511%0.10520%0.197CC..EExtended strand (participates in β ladder)trans-157.3158.9172.270.2-77.6000111A208 V210 H234 F250 P252 P253 L259A208-F257 HydrophobicContact CB-CD1 4.14Å; A208-F257 HydrophobicContact CB-CE1 3.63Å; A208-F257 HydrophobicContact CB-CE2 4.33Å; A208-F257 HydrophobicContact CB-CZ 3.71Å; A208-F257 PolarHBondContact N-O 2.96Å; A208-F257 PolarHBondContact O-N 2.62Å; V210-F257 HydrophobicContact CB-CE1 4.27Å; V210-F257 HydrophobicContact CG2-CE1 3.71Å; V210-F257 HydrophobicContact CG2-CZ 4.35Å; H234-F257 AromaticContact CD2-CD2 3.98Å; F250-F257 HydrophobicContact CE2-CZ 4.47Å; P252-F257 HydrophobicContact CB-CE1 3.87Å; P252-F257 HydrophobicContact CB-CZ 3.74Å; P253-F257 HydrophobicContact CB-CB 4.3Å; P253-F257 HydrophobicContact CB-CD1 3.92Å; P253-F257 HydrophobicContact CB-CE1 4.41Å; P253-F257 HydrophobicContact CB-CG 4Å; P253-F257 HydrophobicContact CG-CB 4.24Å; P253-F257 HydrophobicContact CG-CD1 4.04Å; P253-F257 HydrophobicContact CG-CD2 3.8Å; P253-F257 HydrophobicContact CG-CE1 4.36Å; P253-F257 HydrophobicContact CG-CE2 4.15Å; P253-F257 HydrophobicContact CG-CG 3.76Å; P253-F257 HydrophobicContact CG-CZ 4.44Å; F257-L259 HydrophobicContact CE2-CB 3.93Å; F257-L259 HydrophobicContact CE2-CD1 3.92Å; F257-L259 HydrophobicContact CZ-CD1 4.42Å
258R95.8Very high92.2Very high125 Ų12539.4 Ų39.447%0.47221%0.208SC..EExtended strand (participates in β ladder)trans-83.1117169.4179.4156.5-67.5168.61.7109.4D207 H234D207-R258 WeakPolarHBondContact OD1-CA 3.25Å; D207-R258 WeakPolarHBondContact OD1-CB 3.29Å; D207-R258 WeakPolarHBondContact OD1-CG 3.22Å; D207-R258 IonicContact OD1-CZ 2.86Å; D207-R258 IonicContact OD1-NE 3.88Å; D207-R258 PolarHBondContact OD1-NE 2.67Å; D207-R258 IonicContact OD1-NH2 3.42Å; D207-R258 PolarHBondContact OD1-NH2 2.92Å; D207-R258 IonicContact OD2-CZ 3.61Å; D207-R258 IonicContact OD2-NE 3.44Å; D207-R258 IonicContact OD2-NH2 3.6Å; D207-R258 PolarHBondContact OD2-NH2 3.02Å; H234-R258 WeakPolarHBondContact CB-O 3.49Å; H234-R258 PolarHBondContact CD2-O 2.83Å
259L97.9Very high91.4Very high0 Ų048.2 Ų48.20%025%0.254CS..EExtended strand (participates in β ladder)trans-74.5-44.6177.717664.3000111.4F181 I206 L220 H234 V237 L248 F250 F257F181-L259 HydrophobicContact CD1-CD2 4.16Å; F181-L259 HydrophobicContact CE1-CD2 3.96Å; I206-L259 HydrophobicContact CG2-CB 4.46Å; I206-L259 HydrophobicContact CG2-CD2 4.32Å; I206-L259 WeakPolarHBondContact O-CB 3.34Å; I206-L259 PolarHBondContact O-N 2.84Å; L220-L259 HydrophobicContact CD2-CD2 3.97Å; H234-L259 VanDerWaalsContact CB-O 3.29Å; H234-L259 WeakPolarHBondContact CB-O 3.24Å; H234-L259 PolarHBondContact N-O 2.88Å; V237-L259 HydrophobicContact CG2-CD1 3.8Å; L248-L259 HydrophobicContact CD1-CD2 4.24Å; F250-L259 HydrophobicContact CD1-CD1 4.15Å; F250-L259 HydrophobicContact CD2-CD1 3.92Å; F250-L259 HydrophobicContact CE1-CD1 4.07Å; F250-L259 HydrophobicContact CE1-CD2 4.03Å; F250-L259 HydrophobicContact CE2-CD1 3.81Å; F250-L259 HydrophobicContact CE2-CD2 4.4Å; F250-L259 HydrophobicContact CG-CD1 4.1Å; F250-L259 HydrophobicContact CZ-CD1 3.9Å; F250-L259 HydrophobicContact CZ-CD2 3.78Å; F257-L259 HydrophobicContact CE2-CB 3.93Å; F257-L259 HydrophobicContact CE2-CD1 3.92Å; F257-L259 HydrophobicContact CZ-CD1 4.42Å
260L98.2Very high90.9Very high2 Ų249.2 Ų49.21%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-159.1161.4176.761.480.8000111.7V205 I206 L228 V231 S232 F233 L248 Y262V205-L260 WeakPolarHBondContact CA-O 3.35Å; I206-L260 HydrophobicContact CB-CD1 4.07Å; I206-L260 HydrophobicContact CB-CG 4.08Å; I206-L260 HydrophobicContact CD1-CD1 3.75Å; I206-L260 HydrophobicContact CD1-CD2 4.14Å; I206-L260 HydrophobicContact CD1-CG 4.03Å; I206-L260 HydrophobicContact CG1-CD1 3.64Å; I206-L260 HydrophobicContact CG1-CG 4.11Å; I206-L260 PolarHBondContact N-O 3.5Å; I206-L260 PolarHBondContact O-N 2.8Å; L228-L260 HydrophobicContact CD2-CD1 4.48Å; V231-L260 HydrophobicContact CG2-CB 4.15Å; V231-L260 HydrophobicContact CG2-CD1 4.3Å; V231-L260 HydrophobicContact CG2-CD2 4.32Å; S232-L260 CarbonylContact O-C 3.55Å; S232-L260 WeakPolarHBondContact O-CA 3.42Å; S232-L260 WeakPolarHBondContact O-CB 3.41Å; F233-L260 HydrophobicContact CD1-CB 3.9Å; F233-L260 HydrophobicContact CD1-CD2 4.1Å; F233-L260 HydrophobicContact CE1-CB 4.35Å; F233-L260 HydrophobicContact CE1-CD2 3.86Å; L248-L260 HydrophobicContact CD1-CD2 3.48Å; L248-L260 VanDerWaalsContact CD1-CD2 3.48Å; L248-L260 HydrophobicContact CD2-CD2 4.27Å; L260-Y262 HydrophobicContact CD1-CD1 3.49Å; L260-Y262 VanDerWaalsContact CD1-CD1 3.49Å; L260-Y262 HydrophobicContact CD1-CE1 4.13Å; L260-Y262 HydrophobicContact CD1-CG 4.43Å
261S98.1Very high90.6Very high43 Ų4350.4 Ų50.430%0.30127%0.27SS..EExtended strand (participates in β ladder)trans-124.1147.2162.555.50000109.4G204 V231 S232G204-S261 CarbonylContact O-C 3.57Å; G204-S261 VanDerWaalsContact O-CA 3.27Å; G204-S261 WeakPolarHBondContact O-CA 3.3Å; V231-S261 CarbonylContact C-O 3.51Å; V231-S261 WeakPolarHBondContact CA-O 3.31Å; V231-S261 WeakPolarHBondContact CG2-O 3.38Å; S232-S261 PolarHBondContact N-O 3.36Å; S232-S261 PolarHBondContact O-N 2.86Å
262Y97.4Very high90.5Very high9 Ų949.5 Ų49.54%0.03527%0.265CS..EExtended strand (participates in β ladder)trans-142160.1-178.661.5-79.9000110.9V183 E185 G204 I206 L228 D230 L260 V264 L387V183-Y262 WeakPolarHBondContact CG1-OH 3.33Å; E185-Y262 VanDerWaalsContact CG-OH 3.24Å; E185-Y262 WeakPolarHBondContact CG-OH 3.38Å; E185-Y262 PolarHBondContact OE1-OH 2.95Å; G204-Y262 VanDerWaalsContact C-CE1 3.43Å; G204-Y262 VanDerWaalsContact CA-CE1 3.49Å; G204-Y262 PolarHBondContact N-O 2.83Å; G204-Y262 WeakPolarHBondContact O-CD1 3.5Å; G204-Y262 PolarHBondContact O-N 2.8Å; I206-Y262 HydrophobicContact CG1-CE1 4.2Å; L228-Y262 HydrophobicContact CD2-CD1 3.64Å; L228-Y262 HydrophobicContact CD2-CD2 3.64Å; L228-Y262 HydrophobicContact CD2-CE1 4.19Å; L228-Y262 HydrophobicContact CD2-CE2 4.2Å; L228-Y262 HydrophobicContact CD2-CG 3.32Å; D230-Y262 CarbonylContact O-C 3.54Å; D230-Y262 WeakPolarHBondContact O-CA 3.39Å; D230-Y262 WeakPolarHBondContact O-CB 3.25Å; L260-Y262 HydrophobicContact CD1-CD1 3.49Å; L260-Y262 VanDerWaalsContact CD1-CD1 3.49Å; L260-Y262 HydrophobicContact CD1-CE1 4.13Å; L260-Y262 HydrophobicContact CD1-CG 4.43Å; Y262-V264 HydrophobicContact CD2-CG2 4.19Å; Y262-V264 HydrophobicContact CE2-CG2 4.33Å; Y262-L387 HydrophobicContact CE1-CD2 3.96Å; Y262-L387 HydrophobicContact CE2-CD2 4.07Å; Y262-L387 WeakPolarHBondContact OH-CD2 3.35Å
263H96.3Very high90.5Very high53 Ų5349.5 Ų49.525%0.24527%0.265CS..EExtended strand (participates in β ladder)trans-131.3129.7179.9166.3-118.4000110.1E201 I202 D230E201-H263 IonicContact OE2-NE2 2.63Å; I202-H263 CarbonylContact O-C 3.58Å; I202-H263 WeakPolarHBondContact O-CA 3.22Å; D230-H263 HydrophobicContact CB-CB 4.41Å; D230-H263 PolarHBondContact O-N 2.88Å; D230-H263 IonicContact OD2-CG 3.95Å; D230-H263 IonicContact OD2-ND1 2.81Å; D230-H263 PolarHBondContact OD2-ND1 3.06Å
264V94.1Very high90.6Very high6 Ų649.2 Ų49.24%0.03626%0.264CS..EExtended strand (participates in β ladder)trans-105.4103.3172.4-173.20000107.9E201 I202 Y262 N268E201-V264 WeakPolarHBondContact CA-O 3.25Å; I202-V264 HydrophobicContact CB-CB 4.01Å; I202-V264 HydrophobicContact CB-CG2 4.32Å; I202-V264 HydrophobicContact CD1-CB 4.25Å; I202-V264 HydrophobicContact CG1-CB 4.47Å; I202-V264 PolarHBondContact N-O 3.31Å; I202-V264 PolarHBondContact O-N 3.15Å; Y262-V264 HydrophobicContact CD2-CG2 4.19Å; Y262-V264 HydrophobicContact CE2-CG2 4.33Å; V264-N268 HydrophobicContact CG1-CB 3.89Å
265S86.1Confident90.8Very high37 Ų3751.7 Ų51.726%0.25927%0.272SS..  trans-59.8151.9-179.8173.70000112.9Q267 N268S265-Q267 PolarHBondContact O-N 2.87Å; S265-Q267 VanDerWaalsContact O-N 3.09Å; S265-Q267 PolarHBondContact OG-N 2.87Å; S265-N268 WeakPolarHBondContact O-CB 3.27Å; S265-N268 PolarHBondContact O-N 2.89Å; S265-N268 PolarHBondContact O-ND2 2.89Å
266S76.1Confident91Very high63 Ų6351.6 Ų51.644%0.44127%0.268SS..THydrogen-bonded Turntrans-60-12.9173.869.50000115.8A200 N268A200-S266 WeakPolarHBondContact O-CA 3.4Å; A200-S266 WeakPolarHBondContact O-CB 3.41Å; S266-N268 PolarHBondContact O-N 3.38Å
267Q71.1Confident91.2Very high179 Ų17951.4 Ų51.484%0.83626%0.261SS*.THydrogen-bonded Turntrans-67.4-22.8170.1-64.5-179.92.300111.9S265S265-Q267 PolarHBondContact O-N 2.87Å; S265-Q267 VanDerWaalsContact O-N 3.09Å; S265-Q267 PolarHBondContact OG-N 2.87Å
268N75.9Confident91.3Very high85 Ų8552.4 Ų52.446%0.45527%0.266SS..SBendtrans-82.5146.7171-63.4-65.6000110.2V264 S265 S266 V270V264-N268 HydrophobicContact CG1-CB 3.89Å; S265-N268 WeakPolarHBondContact O-CB 3.27Å; S265-N268 PolarHBondContact O-N 2.89Å; S265-N268 PolarHBondContact O-ND2 2.89Å; S266-N268 PolarHBondContact O-N 3.38Å; N268-V270 VanDerWaalsContact C-N 3.34Å; N268-V270 PolarHBondContact O-N 2.82Å
269L79.2Confident91.3Very high186 Ų18649.9 Ų49.997%0.97426%0.262SS*.  trans-69.791.4173-71.1171.4000109.9
270V87.7Confident91.2Very high20 Ų2050.1 Ų50.112%0.12126%0.263CS..PPolyproline II helixtrans-77.9125.2175.3173.50000110I187 A200 I202 N268I187-V270 HydrophobicContact CD1-CG1 3.82Å; I187-V270 HydrophobicContact CG1-CG1 4.4Å; A200-V270 HydrophobicContact CB-CB 3.77Å; A200-V270 HydrophobicContact CB-CG1 3.76Å; A200-V270 HydrophobicContact CB-CG2 4.49Å; A200-V270 WeakPolarHBondContact O-CG2 3.38Å; I202-V270 HydrophobicContact CD1-CG1 3.93Å; I202-V270 HydrophobicContact CD1-CG2 4.1Å; I202-V270 HydrophobicContact CG1-CG1 3.89Å; I202-V270 HydrophobicContact CG1-CG2 4.19Å; N268-V270 VanDerWaalsContact C-N 3.34Å; N268-V270 PolarHBondContact O-N 2.82Å
271A91.4Very high91Very high26 Ų2652.4 Ų52.422%0.21528%0.277CS..PPolyproline II helixtrans-69.7135.8175.900000110.8Q299 I384A271-Q299 HydrophobicContact CB-CB 4.03Å; A271-I384 HydrophobicContact CB-CD1 3.8Å; A271-I384 HydrophobicContact CB-CG1 4.28Å; A271-I384 VanDerWaalsContact O-CG1 3.29Å; A271-I384 WeakPolarHBondContact O-CG1 3.49Å
272I95.5Very high90.6Very high4 Ų451 Ų512%0.02127%0.265CS..PPolyproline II helixtrans-97.4118.3178-59.3-54.7000109.1I187 A189 I191 T197 A200 V274 K298 Q299 F414I187-I272 HydrophobicContact CD1-CD1 4.27Å; A189-I272 HydrophobicContact CB-CD1 4.22Å; I191-I272 HydrophobicContact CD1-CD1 4.01Å; I191-I272 HydrophobicContact CD1-CG1 4.11Å; I191-I272 HydrophobicContact CD1-CG2 4.23Å; T197-I272 HydrophobicContact CG2-CD1 4.05Å; T197-I272 HydrophobicContact CG2-CG1 4.42Å; T197-I272 VanDerWaalsContact OG1-CG1 3.31Å; T197-I272 WeakPolarHBondContact OG1-CG1 3.29Å; A200-I272 HydrophobicContact CB-CD1 3.78Å; I272-V274 VanDerWaalsContact CG2-O 3.25Å; I272-V274 WeakPolarHBondContact CG2-O 3.25Å; I272-K298 HydrophobicContact CB-CD 4.22Å; I272-K298 HydrophobicContact CG2-CD 4.37Å; I272-K298 WeakPolarHBondContact O-CB 3.48Å; I272-Q299 WeakPolarHBondContact O-CB 3.23Å; I272-Q299 PolarHBondContact O-N 3.08Å; I272-Q299 VanDerWaalsContact O-N 3.08Å; I272-F414 HydrophobicContact CG2-CE2 4.21Å; I272-F414 HydrophobicContact CG2-CZ 3.85Å
273P95.4Very high90Very high0 Ų059.5 Ų59.50%030%0.298CS..  trans-78.7-27.8-171.727.5-33.8000113.9K298 T300 F377 I379 I384P273-K298 PolarHBondContact O-N 3.46Å; P273-T300 HydrophobicContact CB-CG2 4.39Å; P273-T300 WeakPolarHBondContact O-CG2 3.43Å; P273-F377 HydrophobicContact CB-CE2 4.34Å; P273-F377 HydrophobicContact CB-CZ 4.38Å; P273-F377 HydrophobicContact CG-CE1 4.16Å; P273-F377 HydrophobicContact CG-CE2 3.66Å; P273-F377 HydrophobicContact CG-CZ 3.3Å; P273-I379 HydrophobicContact CB-CD1 3.53Å; P273-I379 HydrophobicContact CG-CD1 4.39Å; P273-I384 HydrophobicContact CB-CD1 4.18Å
274V96.4Very high89.1Confident2 Ų265.3 Ų65.31%0.01233%0.325CS..EExtended strand (participates in β ladder)trans-132139.2-174.7-178.30000109.5I272 G296 V305 F377I272-V274 VanDerWaalsContact CG2-O 3.25Å; I272-V274 WeakPolarHBondContact CG2-O 3.25Å; V274-G296 WeakPolarHBondContact CA-O 3.36Å; V274-V305 HydrophobicContact CG2-CG1 3.8Å; V274-V305 HydrophobicContact CG2-CG2 4.27Å; V274-F377 HydrophobicContact CG2-CD1 4.16Å; V274-F377 HydrophobicContact CG2-CE1 4.32Å; V274-F377 HydrophobicContact CG2-CG 4.43Å
275Y95.8Very high88.2Confident66 Ų6668.8 Ų68.826%0.25936%0.362SS..EExtended strand (participates in β ladder)trans-113.3156.2169.874.8-93000111K277 G296 P297 K298 L351Y275-K277 HydrophobicContact CD2-CG 4.15Å; Y275-K277 HydrophobicContact CE2-CD 4.08Å; Y275-K277 HydrophobicContact CE2-CG 3.93Å; Y275-G296 VanDerWaalsContact CD1-O 3.24Å; Y275-G296 WeakPolarHBondContact CD1-O 3.31Å; Y275-G296 PolarHBondContact N-O 2.91Å; Y275-G296 PolarHBondContact O-N 2.67Å; Y275-P297 WeakPolarHBondContact CD1-O 3.28Å; Y275-P297 VanDerWaalsContact CE1-O 3.29Å; Y275-P297 WeakPolarHBondContact CE1-O 3.4Å; Y275-K298 HydrophobicContact CD1-CB 4.02Å; Y275-L351 VanDerWaalsContact OH-CD1 3.26Å; Y275-L351 WeakPolarHBondContact OH-CD1 3.44Å
276V96.7Very high88.1Confident17 Ų1769 Ų6910%0.10336%0.363CS..EExtended strand (participates in β ladder)trans-125.3126.1177.2-176.70000109.1H278 L293 L295 I375 V416V276-H278 HydrophobicContact CG1-CB 4.43Å; V276-L293 HydrophobicContact CG1-CD1 3.59Å; V276-L293 HydrophobicContact CG1-CD2 4.3Å; V276-L293 HydrophobicContact CG1-CG 3.81Å; V276-L295 HydrophobicContact CB-CD2 4.28Å; V276-L295 HydrophobicContact CG1-CD2 4.12Å; V276-L295 HydrophobicContact CG2-CD2 3.51Å; V276-I375 HydrophobicContact CG2-CD1 3.3Å; V276-V416 HydrophobicContact CB-CG1 4.28Å; V276-V416 HydrophobicContact CB-CG2 4.2Å; V276-V416 HydrophobicContact CG2-CG2 3.77Å
277K96.6Very high88.6Confident132 Ų13269.2 Ų69.257%0.57437%0.365SS*.EExtended strand (participates in β ladder)trans-98.6128.1163.3-69178.1-179.2179.10107.5Y275 L293 T294Y275-K277 HydrophobicContact CD2-CG 4.15Å; Y275-K277 HydrophobicContact CE2-CD 4.08Å; Y275-K277 HydrophobicContact CE2-CG 3.93Å; K277-L293 CarbonylContact O-C 3.22Å; K277-L293 WeakPolarHBondContact O-CA 3.48Å; K277-T294 PolarHBondContact N-O 3.34Å; K277-T294 PolarHBondContact O-N 2.47Å
278H96.4Very high89.5Confident46 Ų4665.6 Ų65.621%0.21335%0.348CS..EExtended strand (participates in β ladder)trans-133.3153.7-178.268.680.5000110.8K193 V276 D292 L293 T418K193-H278 PolarHBondContact O-NE2 2.87Å; V276-H278 HydrophobicContact CG1-CB 4.43Å; H278-D292 CarbonylContact C-O 3.55Å; H278-D292 VanDerWaalsContact CA-O 3.26Å; H278-D292 WeakPolarHBondContact CA-O 3.5Å; H278-L293 HydrophobicContact CB-CD1 3.86Å; H278-T418 HydrophobicContact CB-CG2 4.22Å; H278-T418 WeakPolarHBondContact CE1-CA 3.4Å; H278-T418 PolarHBondContact CE1-OXT 2.81Å; H278-T418 WeakPolarHBondContact ND1-CB 3.44Å
279N96Very high90.2Very high72 Ų7261.9 Ų61.939%0.38533%0.33SS..EExtended strand (participates in β ladder)trans-146.587.4167.8176.819.1000107.5T281 D292N279-T281 WeakPolarHBondContact OD1-CG2 3.09Å; N279-D292 HydrophobicContact CB-CB 4.21Å; N279-D292 PolarHBondContact N-O 2.73Å; N279-D292 PolarHBondContact O-N 3.44Å; N279-D292 VanDerWaalsContact O-N 3.13Å
280I95.2Very high91Very high4 Ų459 Ų592%0.02131%0.306CS..EExtended strand (participates in β ladder)trans-107.9119.9179.7-56.2175.3000107.8F282 R290 F291 M358 N370 P371 I373 T418I280-F282 HydrophobicContact CG2-CE2 3.78Å; I280-F282 HydrophobicContact CG2-CZ 4.26Å; I280-R290 WeakPolarHBondContact CA-O 3.22Å; I280-F291 HydrophobicContact CD1-CD2 3.87Å; I280-F291 HydrophobicContact CD1-CE2 3.57Å; I280-F291 HydrophobicContact CD1-CZ 4.24Å; I280-F291 HydrophobicContact CG1-CD2 3.95Å; I280-F291 HydrophobicContact CG1-CE2 4.14Å; I280-F291 HydrophobicContact CG2-CD2 4.31Å; I280-M358 HydrophobicContact CG2-CE 4.15Å; I280-N370 PolarHBondContact O-ND2 3.39Å; I280-P371 HydrophobicContact CD1-CG 4.45Å; I280-P371 HydrophobicContact CG2-CG 4.26Å; I280-I373 HydrophobicContact CD1-CD1 4.07Å; I280-T418 HydrophobicContact CD1-CG2 4.04Å
281T93.3Very high91.5Very high51 Ų5158.1 Ų58.131%0.31330%0.301SS..EExtended strand (participates in β ladder)trans-138.1138.4-176.7560000112N279 G289 R290N279-T281 WeakPolarHBondContact OD1-CG2 3.09Å; T281-G289 CarbonylContact O-C 3.51Å; T281-G289 WeakPolarHBondContact O-CA 3.45Å; T281-R290 PolarHBondContact N-O 3.32Å; T281-R290 PolarHBondContact O-N 3.45Å; T281-R290 WeakPolarHBondContact OG1-CB 3.3Å
282F90.8Very high91.8Very high12 Ų1257.8 Ų57.85%0.05330%0.295CS..EExtended strand (participates in β ladder)trans-119.7126.9170.9-58.2-89.6000107.4I280 P315 V318 M358 L360 K366 P367I280-F282 HydrophobicContact CG2-CE2 3.78Å; I280-F282 HydrophobicContact CG2-CZ 4.26Å; F282-P315 HydrophobicContact CE1-CG 4.04Å; F282-P315 HydrophobicContact CE2-CG 4.19Å; F282-P315 HydrophobicContact CZ-CG 3.65Å; F282-V318 HydrophobicContact CE1-CG2 4.07Å; F282-M358 HydrophobicContact CD1-CE 4.38Å; F282-M358 HydrophobicContact CE1-CE 3.5Å; F282-M358 VanDerWaalsContact CE1-CE 3.5Å; F282-M358 HydrophobicContact CE1-SD 4.4Å; F282-M358 HydrophobicContact CE2-CE 4.25Å; F282-M358 HydrophobicContact CZ-CE 3.41Å; F282-M358 VanDerWaalsContact CZ-CE 3.41Å; F282-M358 HydrophobicContact CZ-SD 4.33Å; F282-L360 HydrophobicContact CD1-CD1 4Å; F282-L360 HydrophobicContact CD1-CD2 3.91Å; F282-L360 HydrophobicContact CE1-CD2 3.99Å; F282-K366 HydrophobicContact CB-CG 4.05Å; F282-P367 HydrophobicContact CB-CG 4.35Å; F282-P367 HydrophobicContact CD1-CG 4.01Å; F282-P367 HydrophobicContact CD2-CG 3.92Å; F282-P367 HydrophobicContact CE1-CG 4.29Å; F282-P367 HydrophobicContact CE2-CG 4.2Å; F282-P367 HydrophobicContact CG-CG 3.83Å; F282-P367 HydrophobicContact CZ-CG 4.39Å
283R83.3Confident91.9Very high189 Ų18957.6 Ų57.671%0.71329%0.294SS*.  trans-103135.8179.5-66.4-176.2-178.6-169.9-0.9109.7S286R283-S286 WeakPolarHBondContact O-CB 3.34Å; R283-S286 PolarHBondContact O-N 3.01Å
284E78.9Confident92Very high174 Ų17458.9 Ų58.981%0.81330%0.302SS*.THydrogen-bonded Turntrans-62.5136.8176.4-168.5170.6-165.800110.7S286E284-S286 PolarHBondContact O-N 2.97Å; E284-S286 VanDerWaalsContact O-N 3.12Å
285G75.2Confident92Very high80 Ų8058.8 Ų58.883%0.82530%0.301SS*.THydrogen-bonded Turntrans69.60.7-177.300000115.5
286S82.6Confident92.1Very high41 Ų4155.6 Ų55.629%0.28729%0.289SS..  trans-94.8135.5176.9179.80000111.1R283 E284 Q288R283-S286 WeakPolarHBondContact O-CB 3.34Å; R283-S286 PolarHBondContact O-N 3.01Å; E284-S286 PolarHBondContact O-N 2.97Å; E284-S286 VanDerWaalsContact O-N 3.12Å; S286-Q288 PolarHBondContact O-N 3.45Å; S286-Q288 PolarHBondContact OG-N 3Å; S286-Q288 PolarHBondContact OG-O 2.9Å
287S86.7Confident92Very high67 Ų6756.4 Ų56.447%0.46930%0.295SS..SBendtrans-80.35.4167.560.80000113.1L360S287-L360 PolarHBondContact O-N 3.25Å
288Q89.8Confident91.9Very high104 Ų10455.3 Ų55.349%0.48629%0.29SS..EExtended strand (participates in β ladder)trans-129.6136.2179.5-68.3-171.7-12.900112.4S286 M358S286-Q288 PolarHBondContact O-N 3.45Å; S286-Q288 PolarHBondContact OG-N 3Å; S286-Q288 PolarHBondContact OG-O 2.9Å; Q288-M358 CarbonylContact C-O 3.59Å; Q288-M358 WeakPolarHBondContact CA-O 3.31Å
289G92.5Very high91.8Very high7 Ų757.6 Ų57.67%0.07230%0.3CS..EExtended strand (participates in β ladder)trans-115168.116700000111.8T281 T357 M358T281-G289 CarbonylContact O-C 3.51Å; T281-G289 WeakPolarHBondContact O-CA 3.45Å; G289-T357 CarbonylContact O-C 3.56Å; G289-T357 VanDerWaalsContact O-CA 3.28Å; G289-T357 WeakPolarHBondContact O-CA 3.2Å; G289-M358 PolarHBondContact N-O 3.36Å; G289-M358 PolarHBondContact O-N 2.79Å
290R95.4Very high91.6Very high124 Ų12454.8 Ų54.847%0.46829%0.286SS..EExtended strand (participates in β ladder)trans-113.5138.9176.2-174.1174.1-177.5132.61.7110.2I280 T281 D292I280-R290 WeakPolarHBondContact CA-O 3.22Å; T281-R290 PolarHBondContact N-O 3.32Å; T281-R290 PolarHBondContact O-N 3.45Å; T281-R290 WeakPolarHBondContact OG1-CB 3.3Å; R290-D292 IonicContact CZ-OD2 3.17Å; R290-D292 IonicContact NE-OD1 3.73Å; R290-D292 IonicContact NE-OD2 2.75Å; R290-D292 PolarHBondContact NE-OD2 3.36Å; R290-D292 IonicContact NH2-OD2 2.72Å; R290-D292 PolarHBondContact NH2-OD2 3.44Å
291F97.1Very high91.4Very high3 Ų362.4 Ų62.41%0.01332%0.323CS..EExtended strand (participates in β ladder)trans-132.5104.8174.4-171.5-80.1000109I280 L293 L314 L323 L339 L354 K355 G356 M358 I373I280-F291 HydrophobicContact CD1-CD2 3.87Å; I280-F291 HydrophobicContact CD1-CE2 3.57Å; I280-F291 HydrophobicContact CD1-CZ 4.24Å; I280-F291 HydrophobicContact CG1-CD2 3.95Å; I280-F291 HydrophobicContact CG1-CE2 4.14Å; I280-F291 HydrophobicContact CG2-CD2 4.31Å; F291-L293 HydrophobicContact CE1-CB 4.1Å; F291-L314 HydrophobicContact CD2-CD2 4.36Å; F291-L314 HydrophobicContact CE2-CD2 4.11Å; F291-L323 HydrophobicContact CB-CD2 3.85Å; F291-L323 HydrophobicContact CD1-CD1 3.91Å; F291-L323 HydrophobicContact CD1-CD2 4.25Å; F291-L323 HydrophobicContact CE1-CD1 4.37Å; F291-L323 HydrophobicContact CG-CD1 4.41Å; F291-L323 HydrophobicContact CG-CD2 4.37Å; F291-L339 HydrophobicContact CD1-CD2 4.31Å; F291-L339 HydrophobicContact CD2-CD2 4.34Å; F291-L339 HydrophobicContact CE1-CD2 3.75Å; F291-L339 HydrophobicContact CE2-CD2 3.77Å; F291-L339 HydrophobicContact CZ-CD2 3.46Å; F291-L339 VanDerWaalsContact CZ-CD2 3.46Å; F291-L354 HydrophobicContact CE1-CD2 4.1Å; F291-L354 HydrophobicContact CE1-CG 4.47Å; F291-K355 CarbonylContact O-C 3.5Å; F291-K355 WeakPolarHBondContact O-CA 3.41Å; F291-G356 PolarHBondContact N-O 3.49Å; F291-G356 PolarHBondContact O-N 3.38Å; F291-M358 HydrophobicContact CB-CE 3.99Å; F291-M358 HydrophobicContact CB-CG 4.05Å; F291-M358 HydrophobicContact CB-SD 4Å; F291-M358 HydrophobicContact CD2-CE 4.26Å; F291-M358 HydrophobicContact CD2-SD 3.95Å; F291-M358 HydrophobicContact CG-SD 4.38Å; F291-I373 HydrophobicContact CE2-CD1 4.34Å; F291-I373 HydrophobicContact CZ-CD1 4.08Å
292D97.9Very high91.3Very high18 Ų1863.7 Ų63.710%0.09635%0.347CS..EExtended strand (participates in β ladder)trans-121.7126.8172.2-66.9-15.3000109.9H278 N279 R290 L354 K355 G356H278-D292 CarbonylContact C-O 3.55Å; H278-D292 VanDerWaalsContact CA-O 3.26Å; H278-D292 WeakPolarHBondContact CA-O 3.5Å; N279-D292 HydrophobicContact CB-CB 4.21Å; N279-D292 PolarHBondContact N-O 2.73Å; N279-D292 PolarHBondContact O-N 3.44Å; N279-D292 VanDerWaalsContact O-N 3.13Å; R290-D292 IonicContact CZ-OD2 3.17Å; R290-D292 IonicContact NE-OD1 3.73Å; R290-D292 IonicContact NE-OD2 2.75Å; R290-D292 PolarHBondContact NE-OD2 3.36Å; R290-D292 IonicContact NH2-OD2 2.72Å; R290-D292 PolarHBondContact NH2-OD2 3.44Å; D292-L354 CarbonylContact C-O 3.57Å; D292-L354 WeakPolarHBondContact CA-O 3.44Å; D292-K355 HydrophobicContact CB-CG 4.07Å; D292-K355 WeakPolarHBondContact OD1-CA 3.4Å; D292-K355 VanDerWaalsContact OD1-CB 3.29Å; D292-K355 WeakPolarHBondContact OD1-CB 3.38Å; D292-G356 PolarHBondContact OD1-N 2.81Å
293L98Very high91.5Very high1 Ų166.7 Ų66.71%0.00536%0.36CS..EExtended strand (participates in β ladder)trans-128.2144.3174.5-151.385.8000110V276 K277 H278 F291 L295 V310 W341 S353 L354 I373V276-L293 HydrophobicContact CG1-CD1 3.59Å; V276-L293 HydrophobicContact CG1-CD2 4.3Å; V276-L293 HydrophobicContact CG1-CG 3.81Å; K277-L293 CarbonylContact O-C 3.22Å; K277-L293 WeakPolarHBondContact O-CA 3.48Å; H278-L293 HydrophobicContact CB-CD1 3.86Å; F291-L293 HydrophobicContact CE1-CB 4.1Å; L293-L295 HydrophobicContact CD2-CD2 3.89Å; L293-L295 HydrophobicContact CD2-CG 4.44Å; L293-V310 HydrophobicContact CD2-CG1 3.86Å; L293-V310 HydrophobicContact CD2-CG2 4.43Å; L293-W341 HydrophobicContact CD2-CE3 4.01Å; L293-W341 HydrophobicContact CD2-CZ3 3.86Å; L293-S353 CarbonylContact O-C 3.59Å; L293-S353 WeakPolarHBondContact O-CA 3.33Å; L293-S353 VanDerWaalsContact O-CB 3.23Å; L293-S353 WeakPolarHBondContact O-CB 3.45Å; L293-L354 PolarHBondContact N-O 3.39Å; L293-L354 PolarHBondContact O-N 3.09Å; L293-I373 HydrophobicContact CD1-CD1 3.92Å; L293-I373 HydrophobicContact CD1-CG1 3.88Å; L293-I373 HydrophobicContact CD1-CG2 4.47Å; L293-I373 HydrophobicContact CD2-CG2 4.31Å
294T97.8Very high92.1Very high26 Ų2659.3 Ų59.316%0.1634%0.34CS..EExtended strand (participates in β ladder)trans-142.8127.5169.1-59.10000108.9K277 L351 P352 S353K277-T294 PolarHBondContact N-O 3.34Å; K277-T294 PolarHBondContact O-N 2.47Å; T294-L351 HydrophobicContact CG2-CB 3.99Å; T294-L351 HydrophobicContact CG2-CD1 4.46Å; T294-P352 WeakPolarHBondContact CA-O 3.45Å; T294-S353 WeakPolarHBondContact OG1-CB 3.17Å
295L97.1Very high93Very high0 Ų051.2 Ų51.20%030%0.302CS..EExtended strand (participates in β ladder)trans-103.8148.8178.9-48.6169.2000109.7V276 L293 V308 V310 W341 V343 I346 P352 I375V276-L295 HydrophobicContact CB-CD2 4.28Å; V276-L295 HydrophobicContact CG1-CD2 4.12Å; V276-L295 HydrophobicContact CG2-CD2 3.51Å; L293-L295 HydrophobicContact CD2-CD2 3.89Å; L293-L295 HydrophobicContact CD2-CG 4.44Å; L295-V308 HydrophobicContact CD1-CG1 3.84Å; L295-V310 HydrophobicContact CD1-CG2 3.54Å; L295-V310 HydrophobicContact CD2-CG2 4.17Å; L295-V310 HydrophobicContact CG-CG2 4.41Å; L295-W341 HydrophobicContact CD1-CE3 4.29Å; L295-W341 HydrophobicContact CD1-CH2 4.09Å; L295-W341 HydrophobicContact CD1-CZ3 3.64Å; L295-W341 HydrophobicContact CG-CH2 4.24Å; L295-W341 HydrophobicContact CG-CZ3 3.79Å; L295-V343 HydrophobicContact CD1-CG2 3.87Å; L295-I346 HydrophobicContact CB-CD1 4.39Å; L295-P352 HydrophobicContact CB-CG 4.13Å; L295-P352 PolarHBondContact N-O 2.82Å; L295-P352 WeakPolarHBondContact O-CD 3.27Å; L295-I375 HydrophobicContact CD2-CD1 4.36Å
296G96.1Very high94.1Very high0 Ų050.3 Ų50.30%028%0.276CS..EExtended strand (participates in β ladder)trans-152.5158.1169.500000113V274 Y275V274-G296 WeakPolarHBondContact CA-O 3.36Å; Y275-G296 VanDerWaalsContact CD1-O 3.24Å; Y275-G296 WeakPolarHBondContact CD1-O 3.31Å; Y275-G296 PolarHBondContact N-O 2.91Å; Y275-G296 PolarHBondContact O-N 2.67Å
297P95.9Very high94.8Very high34 Ų3451.7 Ų51.722%0.22129%0.286CS..EExtended strand (participates in β ladder)trans-68.3142.1172.731.4-32.8000109.6Y275 T300 V305 P348Y275-P297 WeakPolarHBondContact CD1-O 3.28Å; Y275-P297 VanDerWaalsContact CE1-O 3.29Å; Y275-P297 WeakPolarHBondContact CE1-O 3.4Å; P297-T300 HydrophobicContact CB-CG2 3.8Å; P297-V305 HydrophobicContact CB-CG2 4.43Å; P297-P348 HydrophobicContact CG-CB 4.31Å; P297-P348 HydrophobicContact CG-CG 4.37Å
298K94Very high95.4Very high109 Ų10948.5 Ų48.547%0.47426%0.264SS..SBendtrans-114.5-77.4176-169.6-177.1-176.5178.50110.5I272 P273 Y275I272-K298 HydrophobicContact CB-CD 4.22Å; I272-K298 HydrophobicContact CG2-CD 4.37Å; I272-K298 WeakPolarHBondContact O-CB 3.48Å; P273-K298 PolarHBondContact O-N 3.46Å; Y275-K298 HydrophobicContact CD1-CB 4.02Å
299Q93.7Very high95.8Very high93 Ų9346.7 Ų46.744%0.43526%0.257SS..SBendtrans-115.373.6179.3-68.8170-50.600111.2A271 I272 M382A271-Q299 HydrophobicContact CB-CB 4.03Å; I272-Q299 WeakPolarHBondContact O-CB 3.23Å; I272-Q299 PolarHBondContact O-N 3.08Å; I272-Q299 VanDerWaalsContact O-N 3.08Å; Q299-M382 WeakPolarHBondContact O-CE 3.26Å
300T92.8Very high96.1Very high13 Ų1346.7 Ų46.78%0.0826%0.256CS..  trans-107.11.1-178.7710000113.9P273 P297 G302 K303 V305 I379 M382P273-T300 HydrophobicContact CB-CG2 4.39Å; P273-T300 WeakPolarHBondContact O-CG2 3.43Å; P297-T300 HydrophobicContact CB-CG2 3.8Å; T300-G302 PolarHBondContact O-N 2.82Å; T300-G302 VanDerWaalsContact O-N 3.09Å; T300-K303 WeakPolarHBondContact CB-O 3.2Å; T300-K303 VanDerWaalsContact O-CB 3.27Å; T300-K303 WeakPolarHBondContact O-CB 3.4Å; T300-K303 WeakPolarHBondContact O-CG 3.47Å; T300-K303 PolarHBondContact O-N 2.83Å; T300-K303 PolarHBondContact OG1-O 2.77Å; T300-K303 VanDerWaalsContact OG1-O 3.05Å; T300-V305 HydrophobicContact CG2-CG2 3.58Å; T300-I379 HydrophobicContact CG2-CD1 4.18Å; T300-M382 VanDerWaalsContact O-SD 3.39Å
301M90.2Very high96.2Very high164 Ų16442.3 Ų42.381%0.80824%0.244SC*.THydrogen-bonded Turntrans51.735.1-177.2-55.8-59.3-74.200113.2K303 M382M301-K303 PolarHBondContact O-N 2.86Å; M301-M382 HydrophobicContact CB-CE 4.45Å; M301-M382 HydrophobicContact CG-CE 3.92Å
302G91.1Very high96.2Very high79 Ų7942.3 Ų42.381%0.81424%0.244SC*.THydrogen-bonded Turntrans76.90.7-178.100000114.9T300T300-G302 PolarHBondContact O-N 2.82Å; T300-G302 VanDerWaalsContact O-N 3.09Å
303K95.9Very high96.2Very high74 Ų7446.2 Ų46.232%0.32226%0.262SS..PPolyproline II helixtrans-76.5147.5174.3-56.9-60.6-173.6177.10110.8T300 M301 I379 Q381 M382T300-K303 WeakPolarHBondContact CB-O 3.2Å; T300-K303 VanDerWaalsContact O-CB 3.27Å; T300-K303 WeakPolarHBondContact O-CB 3.4Å; T300-K303 WeakPolarHBondContact O-CG 3.47Å; T300-K303 PolarHBondContact O-N 2.83Å; T300-K303 PolarHBondContact OG1-O 2.77Å; T300-K303 VanDerWaalsContact OG1-O 3.05Å; M301-K303 PolarHBondContact O-N 2.86Å; K303-I379 HydrophobicContact CB-CG2 3.55Å; K303-I379 HydrophobicContact CG-CG2 4.45Å; K303-Q381 HydrophobicContact CD-CB 4.42Å; K303-Q381 WeakPolarHBondContact CE-O 3.46Å; K303-M382 HydrophobicContact CG-CB 4.27Å; K303-M382 HydrophobicContact CG-SD 4.47Å
304A96.2Very high96.1Very high35 Ų3546.3 Ų46.329%0.28926%0.263SS..PPolyproline II helixtrans-73.2140.7179.200000111.1E306A304-E306 HydrophobicContact CB-CG 3.98Å; A304-E306 WeakPolarHBondContact CB-OE1 3.49Å
305V97.9Very high95.9Very high3 Ų346.3 Ų46.32%0.01826%0.263CS..EExtended strand (participates in β ladder)trans-98.7118.4170.5-168.50000107.7V274 P297 T300 V308 I346 F377 I379V274-V305 HydrophobicContact CG2-CG1 3.8Å; V274-V305 HydrophobicContact CG2-CG2 4.27Å; P297-V305 HydrophobicContact CB-CG2 4.43Å; T300-V305 HydrophobicContact CG2-CG2 3.58Å; V305-V308 HydrophobicContact CB-CG2 4.4Å; V305-V308 HydrophobicContact CG1-CG2 3.59Å; V305-I346 HydrophobicContact CB-CB 4.33Å; V305-I346 HydrophobicContact CB-CD1 4.01Å; V305-I346 HydrophobicContact CB-CG1 4.25Å; V305-I346 HydrophobicContact CG1-CD1 4.03Å; V305-I346 PolarHBondContact O-N 2.63Å; V305-F377 HydrophobicContact CG1-CB 3.75Å; V305-F377 HydrophobicContact CG1-CD2 4.32Å; V305-F377 HydrophobicContact CG1-CG 4.14Å; V305-I379 HydrophobicContact CG1-CG1 4.36Å; V305-I379 HydrophobicContact CG2-CD1 4.15Å; V305-I379 HydrophobicContact CG2-CG1 4.24Å
306E97.5Very high95.5Very high61 Ų6157.1 Ų57.129%0.28530%0.304SS..EExtended strand (participates in β ladder)trans-127.9167.2-169.2-44.8-168.4159.600110.8A304 V308 G344 K345 K378A304-E306 HydrophobicContact CB-CG 3.98Å; A304-E306 WeakPolarHBondContact CB-OE1 3.49Å; E306-V308 PolarHBondContact O-N 2.95Å; E306-G344 CarbonylContact C-O 3.5Å; E306-K345 HydrophobicContact CG-CD 4.18Å; E306-K345 HydrophobicContact CG-CG 4.16Å; E306-K345 WeakPolarHBondContact OE1-CE 3.42Å; E306-K345 IonicContact OE1-NZ 2.76Å; E306-K345 PolarHBondContact OE1-NZ 2.81Å; E306-K378 PolarHBondContact N-O 2.76Å; E306-K378 PolarHBondContact O-N 2.89Å
307S97.7Very high95.3Very high70 Ų7058 Ų5849%0.4931%0.312SS..EExtended strand (participates in β ladder)trans52.440.7-177.6-50.20000112.4L309 G344S307-L309 PolarHBondContact O-N 2.76Å; S307-G344 PolarHBondContact N-O 2.81Å; S307-G344 VanDerWaalsContact N-O 3.13Å
308V98.5Very high95.1Very high1 Ų156.3 Ų56.31%0.00630%0.302CS..EExtended strand (participates in β ladder)trans-80.9115.4-175.7-179.50000110.3L295 V305 E306 V343 G344 I346 I375 Q376 F377L295-V308 HydrophobicContact CD1-CG1 3.84Å; V305-V308 HydrophobicContact CB-CG2 4.4Å; V305-V308 HydrophobicContact CG1-CG2 3.59Å; E306-V308 PolarHBondContact O-N 2.95Å; V308-V343 HydrophobicContact CB-CB 4Å; V308-V343 HydrophobicContact CG1-CB 4.04Å; V308-V343 HydrophobicContact CG1-CG2 4.03Å; V308-V343 WeakPolarHBondContact O-CB 3.49Å; V308-V343 PolarHBondContact O-N 2.91Å; V308-G344 PolarHBondContact N-O 2.87Å; V308-G344 PolarHBondContact O-N 3.01Å; V308-I346 HydrophobicContact CB-CG1 4.43Å; V308-I346 HydrophobicContact CG1-CD1 4.44Å; V308-I346 HydrophobicContact CG2-CD1 3.98Å; V308-I346 HydrophobicContact CG2-CG1 3.83Å; V308-I375 HydrophobicContact CG1-CG2 4.33Å; V308-Q376 VanDerWaalsContact CA-O 3.25Å; V308-Q376 WeakPolarHBondContact CA-O 3.37Å; V308-F377 HydrophobicContact CG2-CB 3.91Å
309L98.4Very high95.1Very high66 Ų6655.4 Ų55.435%0.34630%0.302SS..EExtended strand (participates in β ladder)trans-123.9126176.3-175.772.6000108.5S307 T340 D342 Q376S307-L309 PolarHBondContact O-N 2.76Å; L309-T340 HydrophobicContact CD1-CG2 3.43Å; L309-T340 VanDerWaalsContact CD1-CG2 3.43Å; L309-T340 HydrophobicContact CD2-CG2 4.43Å; L309-T340 HydrophobicContact CG-CG2 4.06Å; L309-D342 HydrophobicContact CD1-CB 3.9Å; L309-Q376 HydrophobicContact CB-CB 4.2Å; L309-Q376 PolarHBondContact N-O 2.87Å; L309-Q376 PolarHBondContact O-N 3.13Å
310V98.5Very high95.2Very high7 Ų754.2 Ų54.24%0.04230%0.298CS..EExtended strand (participates in β ladder)trans-107.3135.9175.3-1790000109.3L293 L295 T340 W341 I373 N374 I375L293-V310 HydrophobicContact CD2-CG1 3.86Å; L293-V310 HydrophobicContact CD2-CG2 4.43Å; L295-V310 HydrophobicContact CD1-CG2 3.54Å; L295-V310 HydrophobicContact CD2-CG2 4.17Å; L295-V310 HydrophobicContact CG-CG2 4.41Å; V310-T340 CarbonylContact O-C 3.56Å; V310-T340 WeakPolarHBondContact O-CA 3.26Å; V310-W341 HydrophobicContact CB-CB 4.31Å; V310-W341 HydrophobicContact CB-CE3 4.19Å; V310-W341 HydrophobicContact CG2-CE3 4.02Å; V310-W341 HydrophobicContact CG2-CZ3 4.49Å; V310-W341 PolarHBondContact N-O 3.31Å; V310-W341 PolarHBondContact O-N 2.88Å; V310-I373 HydrophobicContact CG1-CG2 3.4Å; V310-N374 WeakPolarHBondContact CA-O 3.47Å; V310-I375 HydrophobicContact CG2-CG2 4.48Å
311S98.3Very high95.3Very high32 Ų3253.7 Ų53.722%0.22430%0.295CS..EExtended strand (participates in β ladder)trans-130.4147.5171.566.20000112.1L339 N374S311-L339 CarbonylContact C-O 3.57Å; S311-L339 VanDerWaalsContact CA-O 3.26Å; S311-L339 WeakPolarHBondContact CA-O 3.5Å; S311-N374 PolarHBondContact N-O 3.01Å; S311-N374 PolarHBondContact O-N 3.26Å
312S97.8Very high95.6Very high2 Ų249.2 Ų49.21%0.01427%0.274CS..EExtended strand (participates in β ladder)trans-146.3127.5176.3-167.50000110.2L314 L339 T372S312-L314 PolarHBondContact O-N 2.85Å; S312-L339 PolarHBondContact N-O 3.47Å; S312-L339 PolarHBondContact O-N 3.46Å; S312-T372 WeakPolarHBondContact CB-O 3.39Å; S312-T372 PolarHBondContact OG-O 2.87Å
313Q96.6Very high96Very high100 Ų10045.7 Ų45.747%0.46724%0.237SC..EExtended strand (participates in β ladder)trans-81.5102.8174.3-175.759.960.500108.3T336 K337 P371Q313-T336 PolarHBondContact NE2-O 3.41Å; Q313-K337 PolarHBondContact NE2-O 2.83Å; Q313-P371 VanDerWaalsContact O-CB 3.22Å; Q313-P371 WeakPolarHBondContact O-CB 3.21Å
314L95.4Very high96.1Very high4 Ų447.8 Ų47.82%0.02125%0.251CS..  trans-77.9155.3-176.2-61-173.3000111.7F291 S312 V318 F332 K337 L339 M358 P371F291-L314 HydrophobicContact CD2-CD2 4.36Å; F291-L314 HydrophobicContact CE2-CD2 4.11Å; S312-L314 PolarHBondContact O-N 2.85Å; L314-V318 HydrophobicContact CB-CB 4.35Å; L314-V318 HydrophobicContact CB-CG2 4.2Å; L314-V318 HydrophobicContact CD1-CG1 4.09Å; L314-F332 HydrophobicContact CB-CE2 4.34Å; L314-F332 HydrophobicContact CD1-CD2 3.95Å; L314-F332 HydrophobicContact CD1-CE2 3.7Å; L314-F332 HydrophobicContact CG-CE2 4.34Å; L314-K337 WeakPolarHBondContact CB-O 3.45Å; L314-K337 PolarHBondContact N-O 3.13Å; L314-K337 WeakPolarHBondContact O-CB 3.49Å; L314-L339 HydrophobicContact CD1-CB 3.97Å; L314-L339 HydrophobicContact CD1-CD2 4.36Å; L314-L339 HydrophobicContact CG-CB 4.02Å; L314-M358 HydrophobicContact CD1-SD 3.84Å; L314-M358 HydrophobicContact CD2-SD 4.12Å; L314-P371 HydrophobicContact CD2-CB 4.32Å; L314-P371 HydrophobicContact CD2-CG 3.94Å
315P93.7Very high96.1Very high26 Ų2648.3 Ų48.317%0.16925%0.252CS..  trans-57.2147.3176.6-25.434.4000112.9F282 G317 V318 P367F282-P315 HydrophobicContact CE1-CG 4.04Å; F282-P315 HydrophobicContact CE2-CG 4.19Å; F282-P315 HydrophobicContact CZ-CG 3.65Å; P315-G317 PolarHBondContact O-N 2.91Å; P315-V318 HydrophobicContact CB-CG2 4.47Å; P315-V318 WeakPolarHBondContact O-CB 3.29Å; P315-V318 PolarHBondContact O-N 3.05Å; P315-P367 HydrophobicContact CB-CB 4.23Å; P315-P367 HydrophobicContact CB-CG 3.7Å; P315-P367 HydrophobicContact CG-CB 3.95Å; P315-P367 HydrophobicContact CG-CG 3.48Å; P315-P367 VanDerWaalsContact CG-CG 3.48Å
316R90.1Very high96.1Very high227 Ų22750.3 Ų50.386%0.85727%0.266SS*.THydrogen-bonded Turntrans-55.2-31-177.8-66.7-175.3-178.6-174.90.8113.9V318 K337R316-V318 PolarHBondContact O-N 2.81Å; R316-K337 VanDerWaalsContact O-CE 3.26Å; R316-K337 WeakPolarHBondContact O-CE 3.36Å
317G90.3Very high96.1Very high17 Ų1749.7 Ų49.718%0.17526%0.263CS..THydrogen-bonded Turntrans-69.1-12.8177.700000114.8P315 L319 L360 Q361P315-G317 PolarHBondContact O-N 2.91Å; G317-L319 PolarHBondContact O-N 3.37Å; G317-L360 CarbonylContact O-C 3.54Å; G317-L360 VanDerWaalsContact O-CA 3.29Å; G317-L360 WeakPolarHBondContact O-CA 3.31Å; G317-Q361 PolarHBondContact O-N 2.84Å
318V93.6Very high96.1Very high0 Ų048.1 Ų48.10%026%0.258CS..EExtended strand (participates in β ladder)trans-74.4119.3176.9-179.40000109.9F282 L314 P315 R316 F332 K337 M358 L360F282-V318 HydrophobicContact CE1-CG2 4.07Å; L314-V318 HydrophobicContact CB-CB 4.35Å; L314-V318 HydrophobicContact CB-CG2 4.2Å; L314-V318 HydrophobicContact CD1-CG1 4.09Å; P315-V318 HydrophobicContact CB-CG2 4.47Å; P315-V318 WeakPolarHBondContact O-CB 3.29Å; P315-V318 PolarHBondContact O-N 3.05Å; R316-V318 PolarHBondContact O-N 2.81Å; V318-F332 HydrophobicContact CB-CZ 4.42Å; V318-F332 HydrophobicContact CG1-CE1 4.34Å; V318-F332 HydrophobicContact CG1-CE2 4.4Å; V318-F332 HydrophobicContact CG1-CZ 3.84Å; V318-K337 WeakPolarHBondContact O-CD 3.31Å; V318-K337 WeakPolarHBondContact O-CE 3.17Å; V318-K337 PolarHBondContact O-NZ 3.32Å; V318-M358 HydrophobicContact CG1-CB 4.2Å; V318-M358 HydrophobicContact CG2-SD 4.33Å; V318-L360 HydrophobicContact CB-CD2 4.49Å; V318-L360 HydrophobicContact CG2-CD2 3.69Å
319L93.8Very high96.1Very high90 Ų9052.9 Ų52.947%0.47129%0.287SS..EExtended strand (participates in β ladder)trans-93.1-37.3179.2-61.6-179000112.2G317 N359 Q361G317-L319 PolarHBondContact O-N 3.37Å; L319-N359 PolarHBondContact N-O 3.44Å; L319-Q361 HydrophobicContact CD1-CB 4.19Å; L319-Q361 HydrophobicContact CD2-CB 4.35Å; L319-Q361 HydrophobicContact CG-CB 4.26Å
320N94.3Very high96.1Very high68 Ų6852.9 Ų52.936%0.36428%0.283SS..EExtended strand (participates in β ladder)trans-154.2155.8179.3-174.325.3000110.7N322 M358 N359N320-N322 PolarHBondContact ND2-OD1 3.37Å; N320-N322 VanDerWaalsContact ND2-OD1 3.11Å; N320-M358 WeakPolarHBondContact O-CA 3.29Å; N320-N359 PolarHBondContact N-O 2.74Å; N320-N359 PolarHBondContact O-N 3.38Å
321A95.8Very high96.1Very high2 Ų256.8 Ų56.82%0.01731%0.307CS..EExtended strand (participates in β ladder)trans-123.2112.5174.700000109.8L323 Y330 F332 M358A321-L323 HydrophobicContact CB-CD1 4.08Å; A321-L323 HydrophobicContact CB-CG 3.98Å; A321-L323 PolarHBondContact O-N 2.84Å; A321-Y330 PolarHBondContact O-OH 2.93Å; A321-F332 HydrophobicContact CB-CB 4.28Å; A321-F332 HydrophobicContact CB-CD1 4.38Å; A321-F332 HydrophobicContact CB-CG 4.18Å; A321-M358 HydrophobicContact CB-CG 4.39Å
322N96.6Very high96.1Very high69 Ų6956.8 Ų56.837%0.36930%0.303SS..EExtended strand (participates in β ladder)trans-97.582.2176.7-62.5-55.1000108.9N320 G356 T357 N359N320-N322 PolarHBondContact ND2-OD1 3.37Å; N320-N322 VanDerWaalsContact ND2-OD1 3.11Å; N322-G356 WeakPolarHBondContact O-CA 3.29Å; N322-T357 PolarHBondContact N-O 3.05Å; N322-T357 PolarHBondContact O-N 2.83Å; N322-T357 VanDerWaalsContact O-N 3.15Å; N322-N359 PolarHBondContact ND2-ND2 2.79Å
323L98.1Very high96Very high6 Ų659.6 Ų59.63%0.03132%0.318CS..EExtended strand (participates in β ladder)trans-109.1152.3-174-48.8178.9000111.4F291 A321 Y330 L339 L354 K355F291-L323 HydrophobicContact CB-CD2 3.85Å; F291-L323 HydrophobicContact CD1-CD1 3.91Å; F291-L323 HydrophobicContact CD1-CD2 4.25Å; F291-L323 HydrophobicContact CE1-CD1 4.37Å; F291-L323 HydrophobicContact CG-CD1 4.41Å; F291-L323 HydrophobicContact CG-CD2 4.37Å; A321-L323 HydrophobicContact CB-CD1 4.08Å; A321-L323 HydrophobicContact CB-CG 3.98Å; A321-L323 PolarHBondContact O-N 2.84Å; L323-Y330 HydrophobicContact CB-CD1 4.4Å; L323-Y330 HydrophobicContact CB-CD2 4.4Å; L323-Y330 HydrophobicContact CB-CE1 4Å; L323-Y330 HydrophobicContact CB-CE2 3.97Å; L323-Y330 HydrophobicContact CD1-CD2 4.27Å; L323-Y330 HydrophobicContact CD1-CE2 4.28Å; L323-Y330 HydrophobicContact CG-CE2 4.2Å; L323-Y330 PolarHBondContact N-OH 2.98Å; L323-Y330 WeakPolarHBondContact O-CE1 3.4Å; L323-Y330 PolarHBondContact O-OH 2.8Å; L323-Y330 VanDerWaalsContact O-OH 3.06Å; L323-L339 HydrophobicContact CD1-CD1 3.82Å; L323-L339 HydrophobicContact CD1-CD2 3.8Å; L323-L339 HydrophobicContact CD1-CG 4.49Å; L323-L354 HydrophobicContact CB-CD1 3.55Å; L323-L354 HydrophobicContact CB-CG 3.96Å; L323-L354 HydrophobicContact CD1-CD1 4.26Å; L323-L354 HydrophobicContact CD1-CD2 3.74Å; L323-L354 HydrophobicContact CD1-CG 3.89Å; L323-K355 CarbonylContact C-O 3.58Å
324N98.1Very high95.9Very high117 Ų11758.1 Ų58.163%0.62632%0.317SS*.EExtended strand (participates in β ladder)trans-120.1106.7178.5-65.2-78000109K355N324-K355 PolarHBondContact N-O 2.85Å; N324-K355 PolarHBondContact O-N 3.49Å; N324-K355 VanDerWaalsContact O-N 3.14Å
325P97.9Very high95.9Very high47 Ų4764 Ų6431%0.30535%0.353SS..EExtended strand (participates in β ladder)trans-75.5132.5172.928.8-31.1000110.2Q327 Y330 S353 L354P325-Q327 VanDerWaalsContact C-N 3.25Å; P325-Y330 HydrophobicContact CG-CD1 4.12Å; P325-S353 CarbonylContact C-O 3.55Å; P325-S353 WeakPolarHBondContact CA-O 3.49Å; P325-L354 HydrophobicContact CB-CD1 3.93Å; P325-L354 HydrophobicContact CG-CD1 4.48Å
326S97.6Very high96Very high44 Ų4466.1 Ų66.131%0.30837%0.366SS..SBendtrans-78.5-15.5167.366.90000112.7S353S326-S353 WeakPolarHBondContact CB-OG 3.48Å; S326-S353 PolarHBondContact N-O 3.06Å; S326-S353 PolarHBondContact OG-N 3.08Å; S326-S353 PolarHBondContact OG-O 3.32Å; S326-S353 PolarHBondContact OG-OG 2.87Å
327Q97.6Very high96.2Very high49 Ų4956.8 Ų56.823%0.22933%0.331CS..SBendtrans-155.6144.1176.9176.5176.1-30.400109.3P325 W341 V343 K345 P352P325-Q327 VanDerWaalsContact C-N 3.25Å; Q327-W341 PolarHBondContact O-NE1 3.33Å; Q327-V343 HydrophobicContact CG-CG1 4.38Å; Q327-V343 PolarHBondContact NE2-O 2.97Å; Q327-K345 PolarHBondContact NE2-O 2.97Å; Q327-P352 HydrophobicContact CB-CB 3.98Å; Q327-P352 HydrophobicContact CG-CB 4.5Å
328G97Very high96.6Very high37 Ų3759 Ų5938%0.38134%0.339SS..SBendtrans77.1-166.6176.100000113.2D342G328-D342 CarbonylContact C-O 3.5Å; G328-D342 WeakPolarHBondContact CA-O 3.33Å
329T98.1Very high96.8Very high100 Ų10059.2 Ų59.261%0.61334%0.34SS*.EExtended strand (participates in β ladder)trans-131.9147.9-178.3620000110.5D342T329-D342 PolarHBondContact N-O 2.62Å; T329-D342 PolarHBondContact O-N 2.91Å
330Y98.4Very high97Very high66 Ų6656.4 Ų56.426%0.25933%0.327SS..EExtended strand (participates in β ladder)trans-121.6154.9176.481.6-79.7000110.8A321 L323 P325 L339 T340 L354A321-Y330 PolarHBondContact O-OH 2.93Å; L323-Y330 HydrophobicContact CB-CD1 4.4Å; L323-Y330 HydrophobicContact CB-CD2 4.4Å; L323-Y330 HydrophobicContact CB-CE1 4Å; L323-Y330 HydrophobicContact CB-CE2 3.97Å; L323-Y330 HydrophobicContact CD1-CD2 4.27Å; L323-Y330 HydrophobicContact CD1-CE2 4.28Å; L323-Y330 HydrophobicContact CG-CE2 4.2Å; L323-Y330 PolarHBondContact N-OH 2.98Å; L323-Y330 WeakPolarHBondContact O-CE1 3.4Å; L323-Y330 PolarHBondContact O-OH 2.8Å; L323-Y330 VanDerWaalsContact O-OH 3.06Å; P325-Y330 HydrophobicContact CG-CD1 4.12Å; Y330-L339 HydrophobicContact CD2-CD1 3.74Å; Y330-L339 HydrophobicContact CE2-CD1 4.49Å; Y330-T340 CarbonylContact C-O 3.48Å; Y330-T340 WeakPolarHBondContact CA-O 3.36Å; Y330-T340 VanDerWaalsContact CB-O 3.31Å; Y330-T340 WeakPolarHBondContact CB-O 3.25Å; Y330-L354 HydrophobicContact CD1-CD1 3.87Å; Y330-L354 HydrophobicContact CG-CD1 4.05Å
331T98.3Very high97.2Very high90 Ų9053.3 Ų53.355%0.55231%0.31SS*.EExtended strand (participates in β ladder)trans-133143172.757.10000108.8T340T331-T340 PolarHBondContact N-O 3.06Å; T331-T340 PolarHBondContact O-N 2.93Å
332F98.3Very high97.4Very high31 Ų3157.1 Ų57.114%0.13633%0.33CS..EExtended strand (participates in β ladder)trans-126.4121.8171.7172.8-112.8000108.4L314 V318 A321 P334 K337 L339L314-F332 HydrophobicContact CB-CE2 4.34Å; L314-F332 HydrophobicContact CD1-CD2 3.95Å; L314-F332 HydrophobicContact CD1-CE2 3.7Å; L314-F332 HydrophobicContact CG-CE2 4.34Å; V318-F332 HydrophobicContact CB-CZ 4.42Å; V318-F332 HydrophobicContact CG1-CE1 4.34Å; V318-F332 HydrophobicContact CG1-CE2 4.4Å; V318-F332 HydrophobicContact CG1-CZ 3.84Å; A321-F332 HydrophobicContact CB-CB 4.28Å; A321-F332 HydrophobicContact CB-CD1 4.38Å; A321-F332 HydrophobicContact CB-CG 4.18Å; F332-P334 HydrophobicContact CE1-CB 4.03Å; F332-P334 WeakPolarHBondContact O-CD 3.26Å; F332-K337 HydrophobicContact CE2-CB 4.48Å; F332-K337 HydrophobicContact CZ-CD 4.11Å; F332-L339 HydrophobicContact CB-CD1 4.16Å; F332-L339 HydrophobicContact CD2-CB 4.27Å
333D97.1Very high97.4Very high62 Ų6254 Ų5433%0.33231%0.313SS..  trans-91.5112.3172.8177.1-2000109.4V335 T336 K337 L338D333-V335 PolarHBondContact O-N 3.43Å; D333-V335 WeakPolarHBondContact OD1-CB 3.46Å; D333-V335 PolarHBondContact OD1-N 3.29Å; D333-T336 VanDerWaalsContact CB-OG1 3.31Å; D333-T336 WeakPolarHBondContact CB-OG1 3.4Å; D333-T336 PolarHBondContact OD1-N 2.73Å; D333-T336 WeakPolarHBondContact OD2-CB 3.05Å; D333-T336 WeakPolarHBondContact OD2-CG2 3.42Å; D333-T336 PolarHBondContact OD2-OG1 3.02Å; D333-K337 WeakPolarHBondContact O-CA 3.1Å; D333-K337 PolarHBondContact O-N 2.8Å; D333-L338 PolarHBondContact N-O 3.02Å
334P94.3Very high97.4Very high69 Ų6955 Ų5545%0.44833%0.325SS..THydrogen-bonded Turntrans-71.6-12.7-178.931.2-36.3000113.6F332 K337F332-P334 HydrophobicContact CE1-CB 4.03Å; F332-P334 WeakPolarHBondContact O-CD 3.26Å; P334-K337 WeakPolarHBondContact O-CD 3.33Å; P334-K337 WeakPolarHBondContact O-CE 3.4Å; P334-K337 PolarHBondContact O-NZ 3.15Å
335V94.3Very high97.4Very high127 Ų12755 Ų5577%0.7732%0.319SS*.THydrogen-bonded Turntrans-85.8-58.7177.6-179.70000109.8D333 K337D333-V335 PolarHBondContact O-N 3.43Å; D333-V335 WeakPolarHBondContact OD1-CB 3.46Å; D333-V335 PolarHBondContact OD1-N 3.29Å; V335-K337 VanDerWaalsContact C-N 3.26Å; V335-K337 PolarHBondContact O-N 2.83Å
336T95.6Very high97.3Very high71 Ų7153 Ų5344%0.43631%0.306SS..THydrogen-bonded Turntrans-76.2-15.9178.961.80000112.7Q313 D333 L338Q313-T336 PolarHBondContact NE2-O 3.41Å; D333-T336 VanDerWaalsContact CB-OG1 3.31Å; D333-T336 WeakPolarHBondContact CB-OG1 3.4Å; D333-T336 PolarHBondContact OD1-N 2.73Å; D333-T336 WeakPolarHBondContact OD2-CB 3.05Å; D333-T336 WeakPolarHBondContact OD2-CG2 3.42Å; D333-T336 PolarHBondContact OD2-OG1 3.02Å; T336-L338 PolarHBondContact O-N 2.65Å; T336-L338 WeakPolarHBondContact OG1-CB 3.43Å; T336-L338 PolarHBondContact OG1-N 2.81Å
337K95.7Very high96.9Very high31 Ų3154.1 Ų54.114%0.13531%0.308CS..  trans62.720.5-172.8-47-64.2-178.2-174.10113.8Q313 L314 R316 V318 F332 D333 P334 V335Q313-K337 PolarHBondContact NE2-O 2.83Å; L314-K337 WeakPolarHBondContact CB-O 3.45Å; L314-K337 PolarHBondContact N-O 3.13Å; L314-K337 WeakPolarHBondContact O-CB 3.49Å; R316-K337 VanDerWaalsContact O-CE 3.26Å; R316-K337 WeakPolarHBondContact O-CE 3.36Å; V318-K337 WeakPolarHBondContact O-CD 3.31Å; V318-K337 WeakPolarHBondContact O-CE 3.17Å; V318-K337 PolarHBondContact O-NZ 3.32Å; F332-K337 HydrophobicContact CE2-CB 4.48Å; F332-K337 HydrophobicContact CZ-CD 4.11Å; D333-K337 WeakPolarHBondContact O-CA 3.1Å; D333-K337 PolarHBondContact O-N 2.8Å; P334-K337 WeakPolarHBondContact O-CD 3.33Å; P334-K337 WeakPolarHBondContact O-CE 3.4Å; P334-K337 PolarHBondContact O-NZ 3.15Å; V335-K337 VanDerWaalsContact C-N 3.26Å; V335-K337 PolarHBondContact O-N 2.83Å
338L97.6Very high96.5Very high63 Ų6355.6 Ų55.633%0.3332%0.322SS..EExtended strand (participates in β ladder)trans-83.8119178.1-17562.8000110.5D333 T336D333-L338 PolarHBondContact N-O 3.02Å; T336-L338 PolarHBondContact O-N 2.65Å; T336-L338 WeakPolarHBondContact OG1-CB 3.43Å; T336-L338 PolarHBondContact OG1-N 2.81Å
339L98.4Very high96.1Very high4 Ų461.8 Ų61.82%0.02134%0.341CS..EExtended strand (participates in β ladder)trans-92.9128.5166.2176.268.9000108.8F291 S311 S312 L314 L323 Y330 F332 L354F291-L339 HydrophobicContact CD1-CD2 4.31Å; F291-L339 HydrophobicContact CD2-CD2 4.34Å; F291-L339 HydrophobicContact CE1-CD2 3.75Å; F291-L339 HydrophobicContact CE2-CD2 3.77Å; F291-L339 HydrophobicContact CZ-CD2 3.46Å; F291-L339 VanDerWaalsContact CZ-CD2 3.46Å; S311-L339 CarbonylContact C-O 3.57Å; S311-L339 VanDerWaalsContact CA-O 3.26Å; S311-L339 WeakPolarHBondContact CA-O 3.5Å; S312-L339 PolarHBondContact N-O 3.47Å; S312-L339 PolarHBondContact O-N 3.46Å; L314-L339 HydrophobicContact CD1-CB 3.97Å; L314-L339 HydrophobicContact CD1-CD2 4.36Å; L314-L339 HydrophobicContact CG-CB 4.02Å; L323-L339 HydrophobicContact CD1-CD1 3.82Å; L323-L339 HydrophobicContact CD1-CD2 3.8Å; L323-L339 HydrophobicContact CD1-CG 4.49Å; Y330-L339 HydrophobicContact CD2-CD1 3.74Å; Y330-L339 HydrophobicContact CE2-CD1 4.49Å; F332-L339 HydrophobicContact CB-CD1 4.16Å; F332-L339 HydrophobicContact CD2-CB 4.27Å; L339-L354 HydrophobicContact CD2-CD2 4.45Å
340T98.5Very high95.9Very high32 Ų3263.6 Ų63.620%0.19634%0.341CS..EExtended strand (participates in β ladder)trans-125.4138.2175.2-56.40000110L309 V310 Y330 T331L309-T340 HydrophobicContact CD1-CG2 3.43Å; L309-T340 VanDerWaalsContact CD1-CG2 3.43Å; L309-T340 HydrophobicContact CD2-CG2 4.43Å; L309-T340 HydrophobicContact CG-CG2 4.06Å; V310-T340 CarbonylContact O-C 3.56Å; V310-T340 WeakPolarHBondContact O-CA 3.26Å; Y330-T340 CarbonylContact C-O 3.48Å; Y330-T340 WeakPolarHBondContact CA-O 3.36Å; Y330-T340 VanDerWaalsContact CB-O 3.31Å; Y330-T340 WeakPolarHBondContact CB-O 3.25Å; T331-T340 PolarHBondContact N-O 3.06Å; T331-T340 PolarHBondContact O-N 2.93Å
341W98.6Very high95.8Very high3 Ų363.2 Ų63.21%0.01134%0.343CS..EExtended strand (participates in β ladder)trans-131.8109.1176.4176.432.8000110.2L293 L295 V310 Q327 V343 P352 L354L293-W341 HydrophobicContact CD2-CE3 4.01Å; L293-W341 HydrophobicContact CD2-CZ3 3.86Å; L295-W341 HydrophobicContact CD1-CE3 4.29Å; L295-W341 HydrophobicContact CD1-CH2 4.09Å; L295-W341 HydrophobicContact CD1-CZ3 3.64Å; L295-W341 HydrophobicContact CG-CH2 4.24Å; L295-W341 HydrophobicContact CG-CZ3 3.79Å; V310-W341 HydrophobicContact CB-CB 4.31Å; V310-W341 HydrophobicContact CB-CE3 4.19Å; V310-W341 HydrophobicContact CG2-CE3 4.02Å; V310-W341 HydrophobicContact CG2-CZ3 4.49Å; V310-W341 PolarHBondContact N-O 3.31Å; V310-W341 PolarHBondContact O-N 2.88Å; Q327-W341 PolarHBondContact O-NE1 3.33Å; W341-V343 HydrophobicContact CD2-CG2 3.57Å; W341-V343 HydrophobicContact CE3-CG2 3.84Å; W341-V343 HydrophobicContact CG-CG2 4.1Å; W341-V343 HydrophobicContact CH2-CG2 3.97Å; W341-V343 HydrophobicContact CZ2-CG1 4.35Å; W341-V343 HydrophobicContact CZ2-CG2 3.73Å; W341-V343 HydrophobicContact CZ3-CG2 4.03Å; W341-P352 HydrophobicContact CH2-CB 3.79Å; W341-P352 HydrophobicContact CH2-CG 4.49Å; W341-P352 HydrophobicContact CZ2-CB 3.84Å; W341-L354 HydrophobicContact CB-CD2 3.89Å; W341-L354 HydrophobicContact CD2-CB 3.9Å; W341-L354 HydrophobicContact CD2-CD2 4.07Å; W341-L354 HydrophobicContact CE3-CB 3.9Å; W341-L354 HydrophobicContact CE3-CD2 4.33Å; W341-L354 HydrophobicContact CG-CD2 3.89Å; W341-L354 HydrophobicContact CH2-CB 4.29Å; W341-L354 HydrophobicContact CZ2-CB 4.26Å; W341-L354 HydrophobicContact CZ3-CB 4.1Å
342D98.5Very high95.8Very high81 Ų8158.9 Ų58.943%0.43332%0.316SS..EExtended strand (participates in β ladder)trans-87.4108.2173.7-173.7-10.3000109.3L309 G328 T329 G344L309-D342 HydrophobicContact CD1-CB 3.9Å; G328-D342 CarbonylContact C-O 3.5Å; G328-D342 WeakPolarHBondContact CA-O 3.33Å; T329-D342 PolarHBondContact N-O 2.62Å; T329-D342 PolarHBondContact O-N 2.91Å; D342-G344 PolarHBondContact OD1-N 2.88Å
343V98.3Very high95.8Very high5 Ų558.3 Ų58.33%0.0332%0.316CS..EExtended strand (participates in β ladder)trans-90.4-27.5-177.6-172.30000111.1L295 V308 Q327 W341 K345 P352L295-V343 HydrophobicContact CD1-CG2 3.87Å; V308-V343 HydrophobicContact CB-CB 4Å; V308-V343 HydrophobicContact CG1-CB 4.04Å; V308-V343 HydrophobicContact CG1-CG2 4.03Å; V308-V343 WeakPolarHBondContact O-CB 3.49Å; V308-V343 PolarHBondContact O-N 2.91Å; Q327-V343 HydrophobicContact CG-CG1 4.38Å; Q327-V343 PolarHBondContact NE2-O 2.97Å; W341-V343 HydrophobicContact CD2-CG2 3.57Å; W341-V343 HydrophobicContact CE3-CG2 3.84Å; W341-V343 HydrophobicContact CG-CG2 4.1Å; W341-V343 HydrophobicContact CH2-CG2 3.97Å; W341-V343 HydrophobicContact CZ2-CG1 4.35Å; W341-V343 HydrophobicContact CZ2-CG2 3.73Å; W341-V343 HydrophobicContact CZ3-CG2 4.03Å; V343-K345 PolarHBondContact O-N 3.42Å; V343-P352 HydrophobicContact CG1-CB 3.52Å; V343-P352 HydrophobicContact CG1-CG 3.74Å
344G97.6Very high95.8Very high26 Ų2655.4 Ų55.427%0.26830%0.3SS..EExtended strand (participates in β ladder)trans69.6-116.7-16900000112.6E306 S307 V308 D342E306-G344 CarbonylContact C-O 3.5Å; S307-G344 PolarHBondContact N-O 2.81Å; S307-G344 VanDerWaalsContact N-O 3.13Å; V308-G344 PolarHBondContact N-O 2.87Å; V308-G344 PolarHBondContact O-N 3.01Å; D342-G344 PolarHBondContact OD1-N 2.88Å
345K97.1Very high96Very high116 Ų11656.7 Ų56.750%0.50430%0.299SS..SBendtrans-102.8123.8-176.7175.1168.6178.9148.90111.6E306 Q327 V343 N347E306-K345 HydrophobicContact CG-CD 4.18Å; E306-K345 HydrophobicContact CG-CG 4.16Å; E306-K345 WeakPolarHBondContact OE1-CE 3.42Å; E306-K345 IonicContact OE1-NZ 2.76Å; E306-K345 PolarHBondContact OE1-NZ 2.81Å; Q327-K345 PolarHBondContact NE2-O 2.97Å; V343-K345 PolarHBondContact O-N 3.42Å; K345-N347 PolarHBondContact O-N 3.02Å
346I96.3Very high96.2Very high6 Ų651.4 Ų51.43%0.03127%0.27CS..  trans-66.6126.6179.6-62-175.9000110L295 V305 V308 P348 P352L295-I346 HydrophobicContact CB-CD1 4.39Å; V305-I346 HydrophobicContact CB-CB 4.33Å; V305-I346 HydrophobicContact CB-CD1 4.01Å; V305-I346 HydrophobicContact CB-CG1 4.25Å; V305-I346 HydrophobicContact CG1-CD1 4.03Å; V305-I346 PolarHBondContact O-N 2.63Å; V308-I346 HydrophobicContact CB-CG1 4.43Å; V308-I346 HydrophobicContact CG1-CD1 4.44Å; V308-I346 HydrophobicContact CG2-CD1 3.98Å; V308-I346 HydrophobicContact CG2-CG1 3.83Å; I346-P348 WeakPolarHBondContact O-CD 3.25Å; I346-P352 HydrophobicContact CG1-CG 4.32Å; I346-P352 HydrophobicContact CG2-CG 4.29Å
347N89.8Confident96.2Very high67 Ų6750.6 Ų50.636%0.35827%0.265SS..  trans-94.1110.7170.6-176.6-29000109.7K345 Q349 K350K345-N347 PolarHBondContact O-N 3.02Å; N347-Q349 VanDerWaalsContact C-N 3.25Å; N347-Q349 PolarHBondContact O-N 2.81Å; N347-Q349 WeakPolarHBondContact OD1-CB 3.35Å; N347-Q349 PolarHBondContact OD1-N 3.31Å; N347-Q349 PolarHBondContact OD1-OE1 3.15Å; N347-K350 CarbonylContact O-C 3.48Å; N347-K350 PolarHBondContact O-N 2.86Å; N347-K350 PolarHBondContact OD1-N 2.9Å
348P88.3Confident96.2Very high80 Ų8049.1 Ų49.152%0.51926%0.259SS..THydrogen-bonded Turntrans-64.4-26-178.3-22.234.1000114.2P297 I346P297-P348 HydrophobicContact CG-CB 4.31Å; P297-P348 HydrophobicContact CG-CG 4.37Å; I346-P348 WeakPolarHBondContact O-CD 3.25Å
349Q89.8Confident96Very high167 Ų16748.5 Ų48.578%0.7826%0.256SS*.THydrogen-bonded Turntrans-75.5-28.6180-67.276.59.900112.3N347N347-Q349 VanDerWaalsContact C-N 3.25Å; N347-Q349 PolarHBondContact O-N 2.81Å; N347-Q349 WeakPolarHBondContact OD1-CB 3.35Å; N347-Q349 PolarHBondContact OD1-N 3.31Å; N347-Q349 PolarHBondContact OD1-OE1 3.15Å
350K93.1Very high95.7Very high139 Ų13949.1 Ų49.160%0.60426%0.259SS*.SBendtrans-135.993.6176.4-173.5-175.9179.3-172.40109.2N347N347-K350 CarbonylContact O-C 3.48Å; N347-K350 PolarHBondContact O-N 2.86Å; N347-K350 PolarHBondContact OD1-N 2.9Å
351L96.3Very high95.2Very high57 Ų5753.1 Ų53.130%0.29828%0.276SS..  trans-59.5131.5-175.6-62.4-179.4000111.5Y275 T294Y275-L351 VanDerWaalsContact OH-CD1 3.26Å; Y275-L351 WeakPolarHBondContact OH-CD1 3.44Å; T294-L351 HydrophobicContact CG2-CB 3.99Å; T294-L351 HydrophobicContact CG2-CD1 4.46Å
352P97.8Very high94.6Very high0 Ų057.2 Ų57.20%031%0.31CS..  trans-67.7139.7177.729.6-36.6000110T294 L295 Q327 W341 V343 I346T294-P352 WeakPolarHBondContact CA-O 3.45Å; L295-P352 HydrophobicContact CB-CG 4.13Å; L295-P352 PolarHBondContact N-O 2.82Å; L295-P352 WeakPolarHBondContact O-CD 3.27Å; Q327-P352 HydrophobicContact CB-CB 3.98Å; Q327-P352 HydrophobicContact CG-CB 4.5Å; W341-P352 HydrophobicContact CH2-CB 3.79Å; W341-P352 HydrophobicContact CH2-CG 4.49Å; W341-P352 HydrophobicContact CZ2-CB 3.84Å; V343-P352 HydrophobicContact CG1-CB 3.52Å; V343-P352 HydrophobicContact CG1-CG 3.74Å; I346-P352 HydrophobicContact CG1-CG 4.32Å; I346-P352 HydrophobicContact CG2-CG 4.29Å
353S98.1Very high93.7Very high18 Ų1857.3 Ų57.313%0.12633%0.33CS..EExtended strand (participates in β ladder)trans-143.3151.5178.566.60000111.5L293 T294 P325 S326L293-S353 CarbonylContact O-C 3.59Å; L293-S353 WeakPolarHBondContact O-CA 3.33Å; L293-S353 VanDerWaalsContact O-CB 3.23Å; L293-S353 WeakPolarHBondContact O-CB 3.45Å; T294-S353 WeakPolarHBondContact OG1-CB 3.17Å; P325-S353 CarbonylContact C-O 3.55Å; P325-S353 WeakPolarHBondContact CA-O 3.49Å; S326-S353 WeakPolarHBondContact CB-OG 3.48Å; S326-S353 PolarHBondContact N-O 3.06Å; S326-S353 PolarHBondContact OG-N 3.08Å; S326-S353 PolarHBondContact OG-O 3.32Å; S326-S353 PolarHBondContact OG-OG 2.87Å
354L98.5Very high92.8Very high2 Ų258.7 Ų58.71%0.0134%0.342CS..EExtended strand (participates in β ladder)trans-130114173.9-179.164.8000107.6F291 D292 L293 L323 P325 Y330 L339 W341F291-L354 HydrophobicContact CE1-CD2 4.1Å; F291-L354 HydrophobicContact CE1-CG 4.47Å; D292-L354 CarbonylContact C-O 3.57Å; D292-L354 WeakPolarHBondContact CA-O 3.44Å; L293-L354 PolarHBondContact N-O 3.39Å; L293-L354 PolarHBondContact O-N 3.09Å; L323-L354 HydrophobicContact CB-CD1 3.55Å; L323-L354 HydrophobicContact CB-CG 3.96Å; L323-L354 HydrophobicContact CD1-CD1 4.26Å; L323-L354 HydrophobicContact CD1-CD2 3.74Å; L323-L354 HydrophobicContact CD1-CG 3.89Å; P325-L354 HydrophobicContact CB-CD1 3.93Å; P325-L354 HydrophobicContact CG-CD1 4.48Å; Y330-L354 HydrophobicContact CD1-CD1 3.87Å; Y330-L354 HydrophobicContact CG-CD1 4.05Å; L339-L354 HydrophobicContact CD2-CD2 4.45Å; W341-L354 HydrophobicContact CB-CD2 3.89Å; W341-L354 HydrophobicContact CD2-CB 3.9Å; W341-L354 HydrophobicContact CD2-CD2 4.07Å; W341-L354 HydrophobicContact CE3-CB 3.9Å; W341-L354 HydrophobicContact CE3-CD2 4.33Å; W341-L354 HydrophobicContact CG-CD2 3.89Å; W341-L354 HydrophobicContact CH2-CB 4.29Å; W341-L354 HydrophobicContact CZ2-CB 4.26Å; W341-L354 HydrophobicContact CZ3-CB 4.1Å
355K98.4Very high92Very high95 Ų9562.7 Ų62.741%0.41337%0.366SS..EExtended strand (participates in β ladder)trans-134.4141.4-169.9-61.3-172.7-174.7178.40112.2F291 D292 L323 N324F291-K355 CarbonylContact O-C 3.5Å; F291-K355 WeakPolarHBondContact O-CA 3.41Å; D292-K355 HydrophobicContact CB-CG 4.07Å; D292-K355 WeakPolarHBondContact OD1-CA 3.4Å; D292-K355 VanDerWaalsContact OD1-CB 3.29Å; D292-K355 WeakPolarHBondContact OD1-CB 3.38Å; L323-K355 CarbonylContact C-O 3.58Å; N324-K355 PolarHBondContact N-O 2.85Å; N324-K355 PolarHBondContact O-N 3.49Å; N324-K355 VanDerWaalsContact O-N 3.14Å
356G97.5Very high91.4Very high16 Ų1662.7 Ų62.717%0.16537%0.366CS..EExtended strand (participates in β ladder)trans161.7-155175.600000114.1F291 D292 N322F291-G356 PolarHBondContact N-O 3.49Å; F291-G356 PolarHBondContact O-N 3.38Å; D292-G356 PolarHBondContact OD1-N 2.81Å; N322-G356 WeakPolarHBondContact O-CA 3.29Å
357T96Very high90.9Very high55 Ų5563.7 Ų63.734%0.33737%0.373SS..EExtended strand (participates in β ladder)trans-117.4147.9-175.858.20000111.6G289 N322G289-T357 CarbonylContact O-C 3.56Å; G289-T357 VanDerWaalsContact O-CA 3.28Å; G289-T357 WeakPolarHBondContact O-CA 3.2Å; N322-T357 PolarHBondContact N-O 3.05Å; N322-T357 PolarHBondContact O-N 2.83Å; N322-T357 VanDerWaalsContact O-N 3.15Å
358M95.4Very high90.7Very high0 Ų068.7 Ų68.70%040%0.4CS..EExtended strand (participates in β ladder)trans-108.9130.6171-65.2179.1-66.100108.4I280 F282 Q288 G289 F291 L314 V318 N320 A321I280-M358 HydrophobicContact CG2-CE 4.15Å; F282-M358 HydrophobicContact CD1-CE 4.38Å; F282-M358 HydrophobicContact CE1-CE 3.5Å; F282-M358 VanDerWaalsContact CE1-CE 3.5Å; F282-M358 HydrophobicContact CE1-SD 4.4Å; F282-M358 HydrophobicContact CE2-CE 4.25Å; F282-M358 HydrophobicContact CZ-CE 3.41Å; F282-M358 VanDerWaalsContact CZ-CE 3.41Å; F282-M358 HydrophobicContact CZ-SD 4.33Å; Q288-M358 CarbonylContact C-O 3.59Å; Q288-M358 WeakPolarHBondContact CA-O 3.31Å; G289-M358 PolarHBondContact N-O 3.36Å; G289-M358 PolarHBondContact O-N 2.79Å; F291-M358 HydrophobicContact CB-CE 3.99Å; F291-M358 HydrophobicContact CB-CG 4.05Å; F291-M358 HydrophobicContact CB-SD 4Å; F291-M358 HydrophobicContact CD2-CE 4.26Å; F291-M358 HydrophobicContact CD2-SD 3.95Å; F291-M358 HydrophobicContact CG-SD 4.38Å; L314-M358 HydrophobicContact CD1-SD 3.84Å; L314-M358 HydrophobicContact CD2-SD 4.12Å; V318-M358 HydrophobicContact CG1-CB 4.2Å; V318-M358 HydrophobicContact CG2-SD 4.33Å; N320-M358 WeakPolarHBondContact O-CA 3.29Å; A321-M358 HydrophobicContact CB-CG 4.39Å
359N93.5Very high90.5Very high49 Ų4972.7 Ų72.726%0.26241%0.411SS..EExtended strand (participates in β ladder)trans-89.9128.2174.6-69.4-18.1000109.1L319 N320 N322L319-N359 PolarHBondContact N-O 3.44Å; N320-N359 PolarHBondContact N-O 2.74Å; N320-N359 PolarHBondContact O-N 3.38Å; N322-N359 PolarHBondContact ND2-ND2 2.79Å
360L91.6Very high90.6Very high18 Ų1866.9 Ų66.99%0.09439%0.385CS..EExtended strand (participates in β ladder)trans-105.4152.3-177.9-61.6163.6000110.1F282 S287 G317 V318 A362F282-L360 HydrophobicContact CD1-CD1 4Å; F282-L360 HydrophobicContact CD1-CD2 3.91Å; F282-L360 HydrophobicContact CE1-CD2 3.99Å; S287-L360 PolarHBondContact O-N 3.25Å; G317-L360 CarbonylContact O-C 3.54Å; G317-L360 VanDerWaalsContact O-CA 3.29Å; G317-L360 WeakPolarHBondContact O-CA 3.31Å; V318-L360 HydrophobicContact CB-CD2 4.49Å; V318-L360 HydrophobicContact CG2-CD2 3.69Å; L360-A362 PolarHBondContact O-N 2.85Å
361Q89.3Confident90.6Very high116 Ų11660.8 Ų60.854%0.54236%0.36SS..  trans-58.3136.2168.9-177.5176-8.400110.2G317 L319 G363 A364G317-Q361 PolarHBondContact O-N 2.84Å; L319-Q361 HydrophobicContact CD1-CB 4.19Å; L319-Q361 HydrophobicContact CD2-CB 4.35Å; L319-Q361 HydrophobicContact CG-CB 4.26Å; Q361-G363 PolarHBondContact O-N 3.07Å; Q361-A364 HydrophobicContact CB-CB 4.34Å; Q361-A364 WeakPolarHBondContact O-CB 3.12Å; Q361-A364 PolarHBondContact O-N 3.12Å
362A85.1Confident90.6Very high88 Ų8860.2 Ų60.273%0.72736%0.359SS*.THydrogen-bonded Turntrans-58.8131.7178.300000110.6L360 A364L360-A362 PolarHBondContact O-N 2.85Å; A362-A364 PolarHBondContact O-N 2.85Å
363G80.1Confident90.6Very high84 Ų8460.2 Ų60.287%0.86636%0.359SS*.THydrogen-bonded Turntrans74.47.6-177.400000115Q361 S365Q361-G363 PolarHBondContact O-N 3.07Å; G363-S365 PolarHBondContact O-N 3.24Å
364A79.7Confident90.6Very high34 Ų3461.9 Ų61.928%0.28137%0.367SS..PPolyproline II helixtrans-61.5135.7173.600000110.8Q361 A362Q361-A364 HydrophobicContact CB-CB 4.34Å; Q361-A364 WeakPolarHBondContact O-CB 3.12Å; Q361-A364 PolarHBondContact O-N 3.12Å; A362-A364 PolarHBondContact O-N 2.85Å
365S81.5Confident90.6Very high109 Ų10961.8 Ų61.876%0.76237%0.366SS*.PPolyproline II helixtrans-65.3152.2169.155.20000110.1G363G363-S365 PolarHBondContact O-N 3.24Å
366K83.9Confident90.6Very high117 Ų11761.5 Ų61.551%0.50937%0.366SS..PPolyproline II helixtrans-58.2136.7167.1-174.8-170.5167-169.80108.4F282F282-K366 HydrophobicContact CB-CG 4.05Å
367P85.8Confident90.7Very high27 Ų2760.9 Ų60.918%0.17536%0.359CS..PPolyproline II helixtrans-58.2143.2170.8-20.431.3000111.2F282 P315 E369F282-P367 HydrophobicContact CB-CG 4.35Å; F282-P367 HydrophobicContact CD1-CG 4.01Å; F282-P367 HydrophobicContact CD2-CG 3.92Å; F282-P367 HydrophobicContact CE1-CG 4.29Å; F282-P367 HydrophobicContact CE2-CG 4.2Å; F282-P367 HydrophobicContact CG-CG 3.83Å; F282-P367 HydrophobicContact CZ-CG 4.39Å; P315-P367 HydrophobicContact CB-CB 4.23Å; P315-P367 HydrophobicContact CB-CG 3.7Å; P315-P367 HydrophobicContact CG-CB 3.95Å; P315-P367 HydrophobicContact CG-CG 3.48Å; P315-P367 VanDerWaalsContact CG-CG 3.48Å; P367-E369 WeakPolarHBondContact CB-O 3.36Å; P367-E369 PolarHBondContact O-N 2.89Å
368D84.8Confident90.8Very high172 Ų17262.8 Ų62.892%0.9236%0.363SS*.SBendtrans-61-35176.1-62-37.9000111.3
369E85.1Confident90.9Very high163 Ų16362.8 Ų62.876%0.76236%0.363SS*.SBendtrans-136.4150.3179.7-61.5-174.3170.200111.7P367P367-E369 WeakPolarHBondContact CB-O 3.36Å; P367-E369 PolarHBondContact O-N 2.89Å
370N90.6Very high91.1Very high45 Ų4564.8 Ų64.824%0.24137%0.37CS..PPolyproline II helixtrans-71.3148170.7-85.5-11000110.3I280 T418I280-N370 PolarHBondContact O-ND2 3.39Å; N370-T418 WeakPolarHBondContact CB-OG1 3.4Å; N370-T418 PolarHBondContact ND2-OXT 3.43Å
371P93.6Very high91.3Very high11 Ų1170.3 Ų70.37%0.07140%0.396CS..PPolyproline II helixtrans-68.9140-178.831-37.1000111.5I280 Q313 L314 T418I280-P371 HydrophobicContact CD1-CG 4.45Å; I280-P371 HydrophobicContact CG2-CG 4.26Å; Q313-P371 VanDerWaalsContact O-CB 3.22Å; Q313-P371 WeakPolarHBondContact O-CB 3.21Å; L314-P371 HydrophobicContact CD2-CB 4.32Å; L314-P371 HydrophobicContact CD2-CG 3.94Å; P371-T418 PolarHBondContact O-OG1 2.97Å
372T96.1Very high91.6Very high45 Ų4565.7 Ų65.728%0.27637%0.374SS..PPolyproline II helixtrans-73.3155.4174.558.70000111.5S312 Q415 R417S312-T372 WeakPolarHBondContact CB-O 3.39Å; S312-T372 PolarHBondContact OG-O 2.87Å; T372-Q415 HydrophobicContact CG2-CG 4.28Å; T372-Q415 PolarHBondContact OG1-NE2 3.13Å; T372-R417 HydrophobicContact CG2-CG 4.39Å
373I98.1Very high92.1Very high0 Ų062 Ų620%034%0.344CS..EExtended strand (participates in β ladder)trans-108.8122.3175.2-56.3-61.8000108.6I280 F291 L293 V310 I375 Q415 V416 T418I280-I373 HydrophobicContact CD1-CD1 4.07Å; F291-I373 HydrophobicContact CE2-CD1 4.34Å; F291-I373 HydrophobicContact CZ-CD1 4.08Å; L293-I373 HydrophobicContact CD1-CD1 3.92Å; L293-I373 HydrophobicContact CD1-CG1 3.88Å; L293-I373 HydrophobicContact CD1-CG2 4.47Å; L293-I373 HydrophobicContact CD2-CG2 4.31Å; V310-I373 HydrophobicContact CG1-CG2 3.4Å; I373-I375 HydrophobicContact CG2-CG1 4.2Å; I373-Q415 CarbonylContact O-C 3.56Å; I373-Q415 WeakPolarHBondContact O-CA 3.43Å; I373-V416 HydrophobicContact CB-CB 4.27Å; I373-V416 PolarHBondContact N-O 2.99Å; I373-V416 PolarHBondContact O-N 2.8Å; I373-T418 HydrophobicContact CD1-CG2 4.48Å; I373-T418 HydrophobicContact CG1-CG2 3.58Å
374N98.4Very high92.9Very high53 Ų5358.4 Ų58.428%0.28331%0.305SS..EExtended strand (participates in β ladder)trans-101.8140.8171.9-55.4-63.4000109.3V310 S311 F414V310-N374 WeakPolarHBondContact CA-O 3.47Å; S311-N374 PolarHBondContact N-O 3.01Å; S311-N374 PolarHBondContact O-N 3.26Å; N374-F414 WeakPolarHBondContact CA-O 3.42Å
375I98.3Very high93.6Very high0 Ų057.9 Ų57.90%030%0.299CS..EExtended strand (participates in β ladder)trans-127.8127.2-176.6-45.5177.4000109.3V276 L295 V308 V310 I373 F377 A411 F414 V416V276-I375 HydrophobicContact CG2-CD1 3.3Å; L295-I375 HydrophobicContact CD2-CD1 4.36Å; V308-I375 HydrophobicContact CG1-CG2 4.33Å; V310-I375 HydrophobicContact CG2-CG2 4.48Å; I373-I375 HydrophobicContact CG2-CG1 4.2Å; I375-F377 HydrophobicContact CG2-CD1 4.02Å; I375-A411 VanDerWaalsContact O-CB 3.31Å; I375-A411 WeakPolarHBondContact O-CB 3.5Å; I375-F414 HydrophobicContact CB-CD1 3.92Å; I375-F414 HydrophobicContact CD1-CD1 3.81Å; I375-F414 HydrophobicContact CD1-CE1 3.74Å; I375-F414 HydrophobicContact CG1-CD1 4.04Å; I375-F414 HydrophobicContact CG1-CE1 4.47Å; I375-F414 PolarHBondContact N-O 3.28Å; I375-F414 WeakPolarHBondContact O-CB 3.37Å; I375-V416 HydrophobicContact CD1-CG2 4.08Å
376Q98.5Very high94.2Very high89 Ų8954.7 Ų54.742%0.41628%0.283SS..EExtended strand (participates in β ladder)trans-104.3139.7165.6-64.9-63.8-36.200108.7V308 L309 A411 G412V308-Q376 VanDerWaalsContact CA-O 3.25Å; V308-Q376 WeakPolarHBondContact CA-O 3.37Å; L309-Q376 HydrophobicContact CB-CB 4.2Å; L309-Q376 PolarHBondContact N-O 2.87Å; L309-Q376 PolarHBondContact O-N 3.13Å; Q376-A411 PolarHBondContact OE1-O 2.82Å; Q376-G412 PolarHBondContact NE2-O 3.02Å; Q376-G412 VanDerWaalsContact NE2-O 3.09Å
377F98.3Very high94.7Very high4 Ų449.3 Ų49.32%0.01826%0.26CS..EExtended strand (participates in β ladder)trans-159.1166.3176.262-99.5000111.4I187 P273 V274 V305 V308 I375 I379 T409 K410 A411 F414I187-F377 HydrophobicContact CG2-CE2 4.2Å; I187-F377 HydrophobicContact CG2-CZ 3.63Å; P273-F377 HydrophobicContact CB-CE2 4.34Å; P273-F377 HydrophobicContact CB-CZ 4.38Å; P273-F377 HydrophobicContact CG-CE1 4.16Å; P273-F377 HydrophobicContact CG-CE2 3.66Å; P273-F377 HydrophobicContact CG-CZ 3.3Å; V274-F377 HydrophobicContact CG2-CD1 4.16Å; V274-F377 HydrophobicContact CG2-CE1 4.32Å; V274-F377 HydrophobicContact CG2-CG 4.43Å; V305-F377 HydrophobicContact CG1-CB 3.75Å; V305-F377 HydrophobicContact CG1-CD2 4.32Å; V305-F377 HydrophobicContact CG1-CG 4.14Å; V308-F377 HydrophobicContact CG2-CB 3.91Å; I375-F377 HydrophobicContact CG2-CD1 4.02Å; F377-I379 HydrophobicContact CD2-CD1 4.3Å; F377-I379 HydrophobicContact CD2-CG1 4.09Å; F377-I379 HydrophobicContact CE2-CD1 4.18Å; F377-I379 HydrophobicContact CE2-CG1 4.38Å; F377-T409 HydrophobicContact CE2-CG2 4.45Å; F377-K410 VanDerWaalsContact O-CA 3.28Å; F377-K410 WeakPolarHBondContact O-CA 3.37Å; F377-A411 HydrophobicContact CD1-CB 3.71Å; F377-A411 HydrophobicContact CE1-CB 3.65Å; F377-A411 HydrophobicContact CE2-CB 4.46Å; F377-A411 HydrophobicContact CG-CB 4.14Å; F377-A411 HydrophobicContact CZ-CB 4.02Å; F377-A411 PolarHBondContact O-N 3.31Å; F377-F414 HydrophobicContact CE1-CB 4.46Å; F377-F414 AromaticContact CE1-CD2 3.8Å; F377-F414 HydrophobicContact CE1-CD2 3.8Å; F377-F414 HydrophobicContact CE1-CE2 4.14Å; F377-F414 HydrophobicContact CE1-CG 4Å; F377-F414 HydrophobicContact CZ-CD2 4.16Å; F377-F414 HydrophobicContact CZ-CE2 4.39Å
378K98.3Very high95.2Very high94 Ų9454.1 Ų54.141%0.40928%0.278SS..EExtended strand (participates in β ladder)trans-133.8142.8170.3-64.4-179.4-179.1174.70110.6E306 T409 K410E306-K378 PolarHBondContact N-O 2.76Å; E306-K378 PolarHBondContact O-N 2.89Å; K378-T409 CarbonylContact C-O 3.55Å; K378-T409 WeakPolarHBondContact CA-O 3.23Å; K378-K410 HydrophobicContact CG-CB 4.19Å
379I98.2Very high95.7Very high0 Ų046.6 Ų46.60%024%0.239CC..EExtended strand (participates in β ladder)trans-129.6111.2173.8-53.8176.7000107.5P273 T300 K303 V305 F377 M382 M408 T409P273-I379 HydrophobicContact CB-CD1 3.53Å; P273-I379 HydrophobicContact CG-CD1 4.39Å; T300-I379 HydrophobicContact CG2-CD1 4.18Å; K303-I379 HydrophobicContact CB-CG2 3.55Å; K303-I379 HydrophobicContact CG-CG2 4.45Å; V305-I379 HydrophobicContact CG1-CG1 4.36Å; V305-I379 HydrophobicContact CG2-CD1 4.15Å; V305-I379 HydrophobicContact CG2-CG1 4.24Å; F377-I379 HydrophobicContact CD2-CD1 4.3Å; F377-I379 HydrophobicContact CD2-CG1 4.09Å; F377-I379 HydrophobicContact CE2-CD1 4.18Å; F377-I379 HydrophobicContact CE2-CG1 4.38Å; I379-M382 HydrophobicContact CG2-CB 3.77Å; I379-M382 HydrophobicContact CG2-CG 4.39Å; I379-M382 HydrophobicContact CG2-SD 3.85Å; I379-M408 WeakPolarHBondContact O-CA 3.42Å; I379-T409 PolarHBondContact N-O 2.72Å; I379-T409 PolarHBondContact O-N 2.83Å
380Q97.4Very high96.3Very high91 Ų9143.4 Ų43.443%0.42523%0.227SC..EExtended strand (participates in β ladder)trans-80152.1178.5-64.4-67.1-4.800111.1M382Q380-M382 VanDerWaalsContact C-N 3.26Å; Q380-M382 PolarHBondContact O-N 2.79Å
381Q96Very high96.6Very high135 Ų13548.1 Ų48.163%0.63124%0.241SC*.THydrogen-bonded Turntrans59.333.4179.2-51176.1-8.800113.8K303 Y407K303-Q381 HydrophobicContact CD-CB 4.42Å; K303-Q381 WeakPolarHBondContact CE-O 3.46Å; Q381-Y407 WeakPolarHBondContact CA-O 3.09Å; Q381-Y407 PolarHBondContact N-O 3Å
382M95.7Very high96.7Very high18 Ų1848.3 Ų48.39%0.08924%0.242CC..  trans-145.5132.7179.8-172.5170.9-18000111.4Q299 T300 M301 K303 I379 Q380 I384 Y407 M408 T409Q299-M382 WeakPolarHBondContact O-CE 3.26Å; T300-M382 VanDerWaalsContact O-SD 3.39Å; M301-M382 HydrophobicContact CB-CE 4.45Å; M301-M382 HydrophobicContact CG-CE 3.92Å; K303-M382 HydrophobicContact CG-CB 4.27Å; K303-M382 HydrophobicContact CG-SD 4.47Å; I379-M382 HydrophobicContact CG2-CB 3.77Å; I379-M382 HydrophobicContact CG2-CG 4.39Å; I379-M382 HydrophobicContact CG2-SD 3.85Å; Q380-M382 VanDerWaalsContact C-N 3.26Å; Q380-M382 PolarHBondContact O-N 2.79Å; M382-I384 HydrophobicContact CE-CD1 3.52Å; M382-Y407 PolarHBondContact N-O 3.39Å; M382-M408 CarbonylContact O-C 3.5Å; M382-M408 WeakPolarHBondContact O-CA 3.34Å; M382-M408 PolarHBondContact O-N 3.14Å; M382-T409 PolarHBondContact O-N 2.75Å; M382-T409 PolarHBondContact O-OG1 2.81Å
383A96.3Very high96.7Very high11 Ų1147.8 Ų47.89%0.09124%0.237CC..  trans-102.2120.515600000107V183 E185 S385 G386 L387 Y407V183-A383 HydrophobicContact CG1-CB 4.45Å; E185-A383 HydrophobicContact CG-CB 4.44Å; E185-A383 VanDerWaalsContact OE2-CA 3.25Å; E185-A383 WeakPolarHBondContact OE2-CA 3.48Å; E185-A383 WeakPolarHBondContact OE2-CB 2.97Å; A383-S385 VanDerWaalsContact C-N 3.26Å; A383-S385 PolarHBondContact O-N 2.84Å; A383-G386 PolarHBondContact O-N 3.05Å; A383-L387 HydrophobicContact CB-CB 4.46Å; A383-Y407 HydrophobicContact CB-CD1 3.9Å
384I95.6Very high96.7Very high9 Ų949 Ų495%0.04624%0.243CC..THydrogen-bonded Turntrans-68.8-23.5-178.8-168.662.8000112.6E185 I187 I202 A271 P273 M382 G386 T409E185-I384 HydrophobicContact CB-CG2 4.44Å; E185-I384 WeakPolarHBondContact OE2-CG2 3.24Å; E185-I384 PolarHBondContact OE2-N 3.02Å; I187-I384 HydrophobicContact CB-CG2 4.41Å; I187-I384 HydrophobicContact CD1-CG1 4.39Å; I202-I384 HydrophobicContact CD1-CG2 3.77Å; I202-I384 HydrophobicContact CG1-CG2 4.04Å; I202-I384 HydrophobicContact CG2-CG2 4.34Å; A271-I384 HydrophobicContact CB-CD1 3.8Å; A271-I384 HydrophobicContact CB-CG1 4.28Å; A271-I384 VanDerWaalsContact O-CG1 3.29Å; A271-I384 WeakPolarHBondContact O-CG1 3.49Å; P273-I384 HydrophobicContact CB-CD1 4.18Å; M382-I384 HydrophobicContact CE-CD1 3.52Å; I384-G386 PolarHBondContact O-N 3.28Å; I384-T409 HydrophobicContact CB-CG2 3.77Å; I384-T409 HydrophobicContact CG2-CG2 3.6Å; I384-T409 PolarHBondContact N-OG1 2.94Å; I384-T409 VanDerWaalsContact N-OG1 3.13Å
385S94.9Very high96.5Very high23 Ų2352.1 Ų52.116%0.16125%0.251CS..THydrogen-bonded Turntrans-67.3-18.8168.372.10000112.9E185 L227 A383 L387E185-S385 WeakPolarHBondContact OE1-CB 3.41Å; E185-S385 PolarHBondContact OE1-OG 3.18Å; E185-S385 PolarHBondContact OE2-N 3.02Å; L227-S385 WeakPolarHBondContact CD1-O 3.42Å; A383-S385 VanDerWaalsContact C-N 3.26Å; A383-S385 PolarHBondContact O-N 2.84Å; S385-L387 VanDerWaalsContact C-N 3.3Å; S385-L387 VanDerWaalsContact OG-CB 3.27Å; S385-L387 WeakPolarHBondContact OG-CB 3.36Å; S385-L387 PolarHBondContact OG-N 3.06Å
386G93.9Very high96.2Very high41 Ų4155.6 Ų55.642%0.42329%0.287SS..  trans79.85.7-168.900000114N224 A383 I384 K388N224-G386 VanDerWaalsContact ND2-C 3.31Å; N224-G386 PolarHBondContact ND2-O 3.11Å; A383-G386 PolarHBondContact O-N 3.05Å; I384-G386 PolarHBondContact O-N 3.28Å; G386-K388 PolarHBondContact O-N 2.8Å
387L95.3Very high96Very high4 Ų454.1 Ų54.12%0.02128%0.28CS..  trans-52.1126.9175.5-175.770.1000110.2V183 I206 F222 L227 L228 Y262 A383 S385 Y407V183-L387 HydrophobicContact CG1-CD2 4.2Å; I206-L387 HydrophobicContact CD1-CD2 4.48Å; F222-L387 HydrophobicContact CB-CD1 4.25Å; F222-L387 HydrophobicContact CD1-CD1 3.68Å; F222-L387 HydrophobicContact CD1-CD2 4.29Å; F222-L387 HydrophobicContact CD1-CG 3.97Å; F222-L387 HydrophobicContact CE1-CD1 4.3Å; F222-L387 HydrophobicContact CE1-CD2 4.13Å; F222-L387 HydrophobicContact CE1-CG 4.3Å; F222-L387 HydrophobicContact CG-CD1 4.08Å; L227-L387 HydrophobicContact CB-CD1 4.28Å; L227-L387 HydrophobicContact CD1-CB 4.13Å; L227-L387 HydrophobicContact CD1-CD1 4.41Å; L228-L387 HydrophobicContact CD1-CD1 4.23Å; L228-L387 HydrophobicContact CD2-CD1 4.35Å; L228-L387 HydrophobicContact CD2-CD2 4.07Å; L228-L387 HydrophobicContact CG-CD1 4.12Å; Y262-L387 HydrophobicContact CE1-CD2 3.96Å; Y262-L387 HydrophobicContact CE2-CD2 4.07Å; Y262-L387 WeakPolarHBondContact OH-CD2 3.35Å; A383-L387 HydrophobicContact CB-CB 4.46Å; S385-L387 VanDerWaalsContact C-N 3.3Å; S385-L387 VanDerWaalsContact OG-CB 3.27Å; S385-L387 WeakPolarHBondContact OG-CB 3.36Å; S385-L387 PolarHBondContact OG-N 3.06Å; L387-Y407 WeakPolarHBondContact O-CE1 3.29Å
388K95.4Very high95.7Very high128 Ų12864.2 Ų64.256%0.55733%0.325SS*.  trans-136.5124.9-177.8-175.5175.7177.9-176.60110.5F222 M223 N224 G386 N390F222-K388 CarbonylContact C-O 3.55Å; F222-K388 WeakPolarHBondContact CA-O 3.42Å; M223-K388 HydrophobicContact CB-CB 4.32Å; M223-K388 HydrophobicContact CG-CB 4.28Å; M223-K388 HydrophobicContact CG-CD 4.23Å; M223-K388 HydrophobicContact CG-CG 4.19Å; M223-K388 PolarHBondContact N-O 3.17Å; N224-K388 PolarHBondContact OD1-N 3.02Å; G386-K388 PolarHBondContact O-N 2.8Å; K388-N390 PolarHBondContact O-N 2.83Å
389V96.4Very high95.5Very high15 Ų1562.3 Ų62.39%0.09132%0.315CS..EExtended strand (participates in β ladder)trans-64.5127.9168.8175.60000109.2L220 F222 I405 Y407L220-V389 HydrophobicContact CD1-CB 4.31Å; L220-V389 HydrophobicContact CD1-CG1 3.37Å; L220-V389 HydrophobicContact CD1-CG2 3.98Å; F222-V389 HydrophobicContact CD1-CG2 4Å; F222-V389 HydrophobicContact CE1-CG2 3.72Å; V389-I405 HydrophobicContact CB-CD1 3.62Å; V389-I405 HydrophobicContact CG1-CD1 3.39Å; V389-I405 HydrophobicContact CG2-CD1 3.93Å; V389-I405 HydrophobicContact CG2-CG2 4.18Å; V389-Y407 WeakPolarHBondContact CB-OH 3.29Å; V389-Y407 PolarHBondContact N-OH 2.95Å
390N96.8Very high95.4Very high96 Ų9672.1 Ų72.151%0.51336%0.358SS..EExtended strand (participates in β ladder)trans-85.7-56.1173.5-179.622.7000110.3S221 M223 K388S221-N390 PolarHBondContact O-N 3.37Å; M223-N390 HydrophobicContact CG-CB 3.94Å; M223-N390 HydrophobicContact SD-CB 3.69Å; M223-N390 VanDerWaalsContact SD-CG 3.53Å; M223-N390 PolarHBondContact SD-OD1 2.81Å; K388-N390 PolarHBondContact O-N 2.83Å
391R96.2Very high95.3Very high143 Ų14368.8 Ų68.854%0.5434%0.344SS..EExtended strand (participates in β ladder)trans-149145.6-173.9-155.3170.872.7-179.18.8112.1L220 S221 D393L220-R391 WeakPolarHBondContact CA-O 3.31Å; S221-R391 PolarHBondContact N-O 3.02Å; S221-R391 PolarHBondContact O-N 2.83Å; S221-R391 PolarHBondContact OG-N 2.83Å; R391-D393 IonicContact CZ-OD2 2.65Å; R391-D393 IonicContact NE-OD1 3.08Å; R391-D393 IonicContact NE-OD2 2.78Å; R391-D393 PolarHBondContact NE-OD2 3.44Å; R391-D393 IonicContact NH2-OD2 2.9Å; R391-D393 PolarHBondContact NH2-OD2 3.17Å
392L96.9Very high95.4Very high16 Ų1668.2 Ų68.28%0.08434%0.339CS..EExtended strand (participates in β ladder)trans-128.3113.5170.7174.164.9000109F181 L218 T219 L220 K403F181-L392 HydrophobicContact CD2-CD2 3.8Å; F181-L392 HydrophobicContact CE2-CD1 4.12Å; F181-L392 HydrophobicContact CE2-CD2 3.37Å; F181-L392 HydrophobicContact CE2-CG 4.4Å; F181-L392 HydrophobicContact CZ-CD1 4.29Å; F181-L392 HydrophobicContact CZ-CD2 4.31Å; L218-L392 HydrophobicContact CB-CD1 4.46Å; T219-L392 CarbonylContact O-C 3.54Å; T219-L392 WeakPolarHBondContact O-CA 3.21Å; L220-L392 HydrophobicContact CB-CD1 4.23Å; L220-L392 HydrophobicContact CD1-CB 4.13Å; L220-L392 HydrophobicContact CD1-CD1 4.22Å; L392-K403 HydrophobicContact CB-CD 4.4Å; L392-K403 HydrophobicContact CD2-CB 4.02Å; L392-K403 HydrophobicContact CD2-CD 3.92Å; L392-K403 HydrophobicContact CD2-CG 3.87Å; L392-K403 HydrophobicContact CG-CD 4.02Å; L392-K403 PolarHBondContact O-NZ 2.86Å
393D96.6Very high95.4Very high33 Ų3371.3 Ų71.318%0.17635%0.352CS..EExtended strand (participates in β ladder)trans-112.1156178-54.3-53.7000111.2L218 T219 R391 Y395L218-D393 WeakPolarHBondContact CA-O 3.43Å; T219-D393 PolarHBondContact N-O 3.06Å; T219-D393 PolarHBondContact O-N 3.21Å; R391-D393 IonicContact CZ-OD2 2.65Å; R391-D393 IonicContact NE-OD1 3.08Å; R391-D393 IonicContact NE-OD2 2.78Å; R391-D393 PolarHBondContact NE-OD2 3.44Å; R391-D393 IonicContact NH2-OD2 2.9Å; R391-D393 PolarHBondContact NH2-OD2 3.17Å; D393-Y395 HydrophobicContact CB-CE2 3.75Å
394M96.4Very high95.4Very high27 Ų2771.3 Ų71.313%0.13335%0.353CS..EExtended strand (participates in β ladder)trans-129.2136174.9-176.5-172.975.700108.7L212 P216 D217 L218 E397 Y399 P401L212-M394 HydrophobicContact CD1-SD 4.18Å; L212-M394 HydrophobicContact CD2-SD 4.48Å; P216-M394 HydrophobicContact CB-CG 3.88Å; P216-M394 HydrophobicContact CB-SD 3.87Å; D217-M394 CarbonylContact O-C 3.56Å; D217-M394 WeakPolarHBondContact O-CA 3.34Å; L218-M394 HydrophobicContact CD2-CB 3.58Å; L218-M394 HydrophobicContact CD2-CG 3.62Å; M394-E397 HydrophobicContact CE-CB 3.74Å; M394-E397 HydrophobicContact SD-CB 4.32Å; M394-Y399 HydrophobicContact CE-CD2 4Å; M394-Y399 HydrophobicContact CE-CE2 3.67Å; M394-Y399 WeakPolarHBondContact CE-O 3.48Å; M394-Y399 HydrophobicContact SD-CE2 3.85Å; M394-P401 VanDerWaalsContact CE-CD 3.46Å; M394-P401 HydrophobicContact CE-CG 3.96Å; M394-P401 HydrophobicContact SD-CG 3.7Å
395Y95.4Very high95.5Very high117 Ų11773.8 Ų73.846%0.45937%0.366SS..EExtended strand (participates in β ladder)trans-126.4169.1177.5-52.6-86.8000110D217 T219 D393 E397D217-Y395 PolarHBondContact N-O 3.11Å; D217-Y395 PolarHBondContact O-N 2.81Å; T219-Y395 HydrophobicContact CG2-CD2 4.35Å; T219-Y395 HydrophobicContact CG2-CE2 3.8Å; D393-Y395 HydrophobicContact CB-CE2 3.75Å; Y395-E397 PolarHBondContact O-N 2.96Å
396G91.7Very high95.6Very high73 Ų7378.9 Ų78.975%0.75339%0.385SS*.SBendtrans82.8-23.4178.400000114.8
397E94.3Very high95.8Very high58 Ų5879 Ų7927%0.27137%0.374SS..  trans-120145.3-177.9-62.1-61.2157.800112.2G214 M215 P216 M394 Y395 Y399G214-E397 WeakPolarHBondContact CA-OE1 3.46Å; M215-E397 PolarHBondContact N-OE1 3.19Å; P216-E397 HydrophobicContact CB-CG 4.23Å; M394-E397 HydrophobicContact CE-CB 3.74Å; M394-E397 HydrophobicContact SD-CB 4.32Å; Y395-E397 PolarHBondContact O-N 2.96Å; E397-Y399 HydrophobicContact CB-CD1 3.99Å; E397-Y399 HydrophobicContact CB-CE1 3.53Å; E397-Y399 HydrophobicContact CG-CE1 3.83Å
398K92.4Very high96Very high217 Ų21780.9 Ų80.994%0.94338%0.383SS*.SBendtrans-85.8-18.7-174.1-67.4-177.4179.8177.80114.5
399Y94.7Very high96.1Very high54 Ų5474.8 Ų74.821%0.21236%0.356CS..SBendtrans-81.5162.6-177.963.3-98.5000111.5N177 L212 T213 M394 E397 P401N177-Y399 HydrophobicContact CB-CD2 3.65Å; N177-Y399 HydrophobicContact CB-CE2 3.37Å; L212-Y399 WeakPolarHBondContact CB-OH 3.26Å; L212-Y399 HydrophobicContact CD2-CE2 4.06Å; T213-Y399 PolarHBondContact N-OH 3.37Å; T213-Y399 VanDerWaalsContact N-OH 3.09Å; T213-Y399 PolarHBondContact O-OH 3.32Å; M394-Y399 HydrophobicContact CE-CD2 4Å; M394-Y399 HydrophobicContact CE-CE2 3.67Å; M394-Y399 WeakPolarHBondContact CE-O 3.48Å; M394-Y399 HydrophobicContact SD-CE2 3.85Å; E397-Y399 HydrophobicContact CB-CD1 3.99Å; E397-Y399 HydrophobicContact CB-CE1 3.53Å; E397-Y399 HydrophobicContact CG-CE1 3.83Å; Y399-P401 HydrophobicContact CD2-CB 4.42Å; Y399-P401 HydrophobicContact CE2-CB 4.06Å; Y399-P401 HydrophobicContact CE2-CG 4.35Å
400K94.6Very high96.2Very high205 Ų20577.3 Ų77.389%0.89137%0.366SS*.  trans-104.4108174.9-67.5-177-179.4179.40109.6
401P95.9Very high96.2Very high21 Ų2172.9 Ų72.914%0.13634%0.343CS..  trans-77156178.931-35.6000111.6N177 L212 M394 Y399 K403N177-P401 HydrophobicContact CB-CB 4.22Å; N177-P401 CarbonylContact O-C 3.56Å; N177-P401 WeakPolarHBondContact O-CA 3.36Å; N177-P401 WeakPolarHBondContact O-CB 3.48Å; L212-P401 HydrophobicContact CD2-CB 3.48Å; L212-P401 VanDerWaalsContact CD2-CB 3.48Å; L212-P401 HydrophobicContact CD2-CG 4.16Å; M394-P401 VanDerWaalsContact CE-CD 3.46Å; M394-P401 HydrophobicContact CE-CG 3.96Å; M394-P401 HydrophobicContact SD-CG 3.7Å; Y399-P401 HydrophobicContact CD2-CB 4.42Å; Y399-P401 HydrophobicContact CE2-CB 4.06Å; Y399-P401 HydrophobicContact CE2-CG 4.35Å; P401-K403 HydrophobicContact CG-CG 4.42Å
402F97.4Very high96.2Very high123 Ų12366.5 Ų66.554%0.53932%0.321SS..EExtended strand (participates in β ladder)trans-68.7137.5160.4-175.9-89.6000109.7N177 E178 A179 Y180N177-F402 PolarHBondContact O-N 2.79Å; E178-F402 CarbonylContact C-O 3.53Å; E178-F402 WeakPolarHBondContact CA-O 3.04Å; E178-F402 HydrophobicContact CB-CB 4.25Å; A179-F402 PolarHBondContact N-O 2.9Å; Y180-F402 HydrophobicContact CD1-CE1 4.36Å; Y180-F402 AromaticContact CE1-CD1 3.88Å; Y180-F402 HydrophobicContact CE1-CD1 3.88Å; Y180-F402 AromaticContact CE1-CE1 3.42Å; Y180-F402 HydrophobicContact CE1-CE1 3.42Å; Y180-F402 VanDerWaalsContact CE1-CE1 3.42Å; Y180-F402 HydrophobicContact CE2-CD1 4.44Å; Y180-F402 AromaticContact CZ-CD1 3.66Å; Y180-F402 AromaticContact CZ-CE1 3.64Å; Y180-F402 WeakPolarHBondContact OH-CD1 3.28Å; Y180-F402 WeakPolarHBondContact OH-CE1 3.22Å
403K96.4Very high96.2Very high83 Ų8373.8 Ų73.836%0.36135%0.352SS..EExtended strand (participates in β ladder)trans-127117.3-179.2-66.3172.6-173.5177.70109A179 L392 P401A179-K403 CarbonylContact O-C 3.6Å; A179-K403 WeakPolarHBondContact O-CA 3.27Å; L392-K403 HydrophobicContact CB-CD 4.4Å; L392-K403 HydrophobicContact CD2-CB 4.02Å; L392-K403 HydrophobicContact CD2-CD 3.92Å; L392-K403 HydrophobicContact CD2-CG 3.87Å; L392-K403 HydrophobicContact CG-CD 4.02Å; L392-K403 PolarHBondContact O-NZ 2.86Å; P401-K403 HydrophobicContact CG-CG 4.42Å
404G96.6Very high96.2Very high11 Ų1172.3 Ų72.311%0.11334%0.344CS..EExtended strand (participates in β ladder)trans-117.4138.717900000111.6A179 Y180 F181A179-G404 PolarHBondContact O-N 3.41Å; Y180-G404 CarbonylContact C-O 3.51Å; Y180-G404 WeakPolarHBondContact CA-O 3.37Å; F181-G404 PolarHBondContact N-O 3.41Å
405I97.3Very high96.3Very high61 Ų6173.3 Ų73.331%0.31335%0.349SS..EExtended strand (participates in β ladder)trans-130.8129171.6-55169.7000108.1F181 V183 V389 Y407F181-I405 HydrophobicContact CB-CG1 4.45Å; F181-I405 CarbonylContact O-C 3.56Å; F181-I405 VanDerWaalsContact O-CA 3.25Å; F181-I405 WeakPolarHBondContact O-CA 3.3Å; V183-I405 HydrophobicContact CG2-CG2 4.44Å; V389-I405 HydrophobicContact CB-CD1 3.62Å; V389-I405 HydrophobicContact CG1-CD1 3.39Å; V389-I405 HydrophobicContact CG2-CD1 3.93Å; V389-I405 HydrophobicContact CG2-CG2 4.18Å; I405-Y407 HydrophobicContact CG2-CD2 4.35Å; I405-Y407 HydrophobicContact CG2-CE1 4.49Å; I405-Y407 HydrophobicContact CG2-CE2 3.62Å
406K97.4Very high96.4Very high130 Ų13067.9 Ų67.957%0.56533%0.328SS*.EExtended strand (participates in β ladder)trans-121.4154.9172.7-61.8177-178.7167.90109.8F181 D182 V183F181-K406 PolarHBondContact O-N 3.14Å; D182-K406 WeakPolarHBondContact OD1-CB 3.23Å; V183-K406 PolarHBondContact N-O 3.47Å
407Y98.3Very high96.6Very high44 Ų4469.9 Ų69.917%0.17331%0.313CS..EExtended strand (participates in β ladder)trans-127.3138.1177.8-60.3-94.4000108.2V183 Q381 M382 A383 L387 V389 I405V183-Y407 HydrophobicContact CB-CD1 3.63Å; V183-Y407 HydrophobicContact CB-CE1 4.01Å; V183-Y407 HydrophobicContact CB-CG 4.39Å; V183-Y407 HydrophobicContact CG1-CD1 3.99Å; V183-Y407 HydrophobicContact CG1-CE1 4.33Å; V183-Y407 HydrophobicContact CG2-CD1 3.91Å; V183-Y407 HydrophobicContact CG2-CE1 3.76Å; V183-Y407 CarbonylContact O-C 3.6Å; V183-Y407 VanDerWaalsContact O-CA 3.3Å; V183-Y407 WeakPolarHBondContact O-CA 3.41Å; Q381-Y407 WeakPolarHBondContact CA-O 3.09Å; Q381-Y407 PolarHBondContact N-O 3Å; M382-Y407 PolarHBondContact N-O 3.39Å; A383-Y407 HydrophobicContact CB-CD1 3.9Å; L387-Y407 WeakPolarHBondContact O-CE1 3.29Å; V389-Y407 WeakPolarHBondContact CB-OH 3.29Å; V389-Y407 PolarHBondContact N-OH 2.95Å; I405-Y407 HydrophobicContact CG2-CD2 4.35Å; I405-Y407 HydrophobicContact CG2-CE1 4.49Å; I405-Y407 HydrophobicContact CG2-CE2 3.62Å
408M98.2Very high96.4Very high43 Ų4368.5 Ų68.521%0.21231%0.308CS..EExtended strand (participates in β ladder)trans-145.2131.5173.9-178.9176.864.600109.3V183 V184 E185 I379 M382V183-M408 PolarHBondContact O-N 2.86Å; V184-M408 CarbonylContact C-O 3.59Å; V184-M408 WeakPolarHBondContact CA-O 3.43Å; V184-M408 HydrophobicContact CB-CE 4.4Å; V184-M408 HydrophobicContact CG1-CE 3.58Å; V184-M408 HydrophobicContact CG2-CE 3.93Å; E185-M408 PolarHBondContact N-O 2.89Å; I379-M408 WeakPolarHBondContact O-CA 3.42Å; M382-M408 CarbonylContact O-C 3.5Å; M382-M408 WeakPolarHBondContact O-CA 3.34Å; M382-M408 PolarHBondContact O-N 3.14Å
409T98.3Very high96.6Very high0 Ų061.1 Ų61.10%028%0.277CS..EExtended strand (participates in β ladder)trans-106.2137.3166.7-57.60000108.4E185 I187 F377 K378 I379 M382 I384E185-T409 CarbonylContact O-C 3.57Å; E185-T409 VanDerWaalsContact O-CA 3.3Å; E185-T409 WeakPolarHBondContact O-CA 3.42Å; I187-T409 HydrophobicContact CG2-CG2 4.24Å; F377-T409 HydrophobicContact CE2-CG2 4.45Å; K378-T409 CarbonylContact C-O 3.55Å; K378-T409 WeakPolarHBondContact CA-O 3.23Å; I379-T409 PolarHBondContact N-O 2.72Å; I379-T409 PolarHBondContact O-N 2.83Å; M382-T409 PolarHBondContact O-N 2.75Å; M382-T409 PolarHBondContact O-OG1 2.81Å; I384-T409 HydrophobicContact CB-CG2 3.77Å; I384-T409 HydrophobicContact CG2-CG2 3.6Å; I384-T409 PolarHBondContact N-OG1 2.94Å; I384-T409 VanDerWaalsContact N-OG1 3.13Å
410K98.2Very high96.7Very high68 Ų6861.5 Ų61.530%0.29628%0.28SS..EExtended strand (participates in β ladder)trans-131.4157.1170.856.6170.9-178.2143.10110.4E185 E186 I187 F377 K378E185-K410 PolarHBondContact O-N 2.84Å; E186-K410 WeakPolarHBondContact CA-O 3.4Å; E186-K410 HydrophobicContact CB-CG 4.44Å; E186-K410 WeakPolarHBondContact OE2-CE 3.24Å; E186-K410 IonicContact OE2-NZ 2.62Å; E186-K410 PolarHBondContact OE2-NZ 2.83Å; I187-K410 PolarHBondContact N-O 3.18Å; F377-K410 VanDerWaalsContact O-CA 3.28Å; F377-K410 WeakPolarHBondContact O-CA 3.37Å; K378-K410 HydrophobicContact CG-CB 4.19Å
411A97.9Very high96.9Very high4 Ų453.5 Ų53.53%0.03325%0.246CC..EExtended strand (participates in β ladder)trans-68.4139.417000000110.7I375 Q376 F377 F414I375-A411 VanDerWaalsContact O-CB 3.31Å; I375-A411 WeakPolarHBondContact O-CB 3.5Å; Q376-A411 PolarHBondContact OE1-O 2.82Å; F377-A411 HydrophobicContact CD1-CB 3.71Å; F377-A411 HydrophobicContact CE1-CB 3.65Å; F377-A411 HydrophobicContact CE2-CB 4.46Å; F377-A411 HydrophobicContact CG-CB 4.14Å; F377-A411 HydrophobicContact CZ-CB 4.02Å; F377-A411 PolarHBondContact O-N 3.31Å; A411-F414 HydrophobicContact CB-CB 4.14Å
412G96.4Very high96.9Very high8 Ų855.4 Ų55.48%0.08225%0.253CS..EExtended strand (participates in β ladder)trans-97.4-117.5158.200000109.6E186 I187 D188 Q376 F414E186-G412 VanDerWaalsContact OE1-CA 3.25Å; E186-G412 WeakPolarHBondContact OE1-CA 3.42Å; I187-G412 PolarHBondContact O-N 2.92Å; D188-G412 VanDerWaalsContact OD1-CA 3.29Å; D188-G412 WeakPolarHBondContact OD1-CA 3.12Å; Q376-G412 PolarHBondContact NE2-O 3.02Å; Q376-G412 VanDerWaalsContact NE2-O 3.09Å; G412-F414 VanDerWaalsContact C-N 3.31Å; G412-F414 PolarHBondContact O-N 2.73Å; G412-F414 VanDerWaalsContact O-N 3.11Å
413K95.6Very high96.9Very high169 Ų16951.2 Ų51.274%0.73524%0.235SC*.EExtended strand (participates in β ladder)trans-80.374.4168.9-61.8-179-176.31740110.3D188 A189D188-K413 HydrophobicContact CB-CB 4.46Å; D188-K413 PolarHBondContact OD1-N 3.32Å; A189-K413 PolarHBondContact N-O 3.29Å; A189-K413 VanDerWaalsContact O-O 3.1Å
414F97.8Very high96.9Very high3 Ų349.1 Ų49.11%0.01323%0.226CC..EExtended strand (participates in β ladder)trans-95.2104.7175.5-162.5-76.2000110.8I187 A189 I191 I272 N374 I375 F377 A411 G412 V416I187-F414 HydrophobicContact CG2-CD2 4.38Å; A189-F414 HydrophobicContact CB-CD2 3.78Å; A189-F414 HydrophobicContact CB-CE2 3.83Å; A189-F414 HydrophobicContact CB-CG 4.5Å; I191-F414 HydrophobicContact CG1-CE1 4.39Å; I191-F414 HydrophobicContact CG1-CZ 4.28Å; I272-F414 HydrophobicContact CG2-CE2 4.21Å; I272-F414 HydrophobicContact CG2-CZ 3.85Å; N374-F414 WeakPolarHBondContact CA-O 3.42Å; I375-F414 HydrophobicContact CB-CD1 3.92Å; I375-F414 HydrophobicContact CD1-CD1 3.81Å; I375-F414 HydrophobicContact CD1-CE1 3.74Å; I375-F414 HydrophobicContact CG1-CD1 4.04Å; I375-F414 HydrophobicContact CG1-CE1 4.47Å; I375-F414 PolarHBondContact N-O 3.28Å; I375-F414 WeakPolarHBondContact O-CB 3.37Å; F377-F414 HydrophobicContact CE1-CB 4.46Å; F377-F414 AromaticContact CE1-CD2 3.8Å; F377-F414 HydrophobicContact CE1-CD2 3.8Å; F377-F414 HydrophobicContact CE1-CE2 4.14Å; F377-F414 HydrophobicContact CE1-CG 4Å; F377-F414 HydrophobicContact CZ-CD2 4.16Å; F377-F414 HydrophobicContact CZ-CE2 4.39Å; A411-F414 HydrophobicContact CB-CB 4.14Å; G412-F414 VanDerWaalsContact C-N 3.31Å; G412-F414 PolarHBondContact O-N 2.73Å; G412-F414 VanDerWaalsContact O-N 3.11Å; F414-V416 HydrophobicContact CE1-CG2 4.18Å
415Q97.9Very high96.9Very high47 Ų4751.8 Ų51.822%0.2223%0.234CC..EExtended strand (participates in β ladder)trans-118.8139.3-175.5-174.6-178.376.600111.9A189 I190 I191 T372 I373A189-Q415 PolarHBondContact O-N 3.15Å; I190-Q415 WeakPolarHBondContact CA-O 3.31Å; I191-Q415 PolarHBondContact N-O 2.77Å; T372-Q415 HydrophobicContact CG2-CG 4.28Å; T372-Q415 PolarHBondContact OG1-NE2 3.13Å; I373-Q415 CarbonylContact O-C 3.56Å; I373-Q415 WeakPolarHBondContact O-CA 3.43Å
416V97.8Very high96.9Very high4 Ų451.1 Ų51.12%0.02423%0.228CC..EExtended strand (participates in β ladder)trans-118.1121.6168.8-172.80000109I191 V276 I373 I375 F414I191-V416 HydrophobicContact CB-CB 4.45Å; I191-V416 HydrophobicContact CB-CG1 4.25Å; I191-V416 HydrophobicContact CB-CG2 4.12Å; I191-V416 HydrophobicContact CG1-CG2 4.31Å; I191-V416 HydrophobicContact CG2-CG1 4.41Å; I191-V416 WeakPolarHBondContact O-CA 3.43Å; V276-V416 HydrophobicContact CB-CG1 4.28Å; V276-V416 HydrophobicContact CB-CG2 4.2Å; V276-V416 HydrophobicContact CG2-CG2 3.77Å; I373-V416 HydrophobicContact CB-CB 4.27Å; I373-V416 PolarHBondContact N-O 2.99Å; I373-V416 PolarHBondContact O-N 2.8Å; I375-V416 HydrophobicContact CD1-CG2 4.08Å; F414-V416 HydrophobicContact CE1-CG2 4.18Å
417R95.6Very high96.9Very high114 Ų11444.5 Ų44.543%0.4320%0.2SC..  trans-79.3139173.4-61.7-178.9178175.2-0.8109.1I190 I191 D192 K193 T372I190-R417 HydrophobicContact CG2-CG 4.23Å; I191-R417 PolarHBondContact O-N 3.4Å; D192-R417 CarbonylContact C-O 3.55Å; K193-R417 WeakPolarHBondContact CA-O 3.45Å; K193-R417 PolarHBondContact N-O 3.23Å; T372-R417 HydrophobicContact CG2-CG 4.39Å
418T90.5Very high96.7Very high30 Ų3044.5 Ų44.518%0.18420%0.203CC..  trans-119.90-173.468.60000114.2H278 I280 N370 P371 I373H278-T418 HydrophobicContact CB-CG2 4.22Å; H278-T418 WeakPolarHBondContact CE1-CA 3.4Å; H278-T418 PolarHBondContact CE1-OXT 2.81Å; H278-T418 WeakPolarHBondContact ND1-CB 3.44Å; I280-T418 HydrophobicContact CD1-CG2 4.04Å; N370-T418 WeakPolarHBondContact CB-OG1 3.4Å; N370-T418 PolarHBondContact ND2-OXT 3.43Å; P371-T418 PolarHBondContact O-OG1 2.97Å; I373-T418 HydrophobicContact CD1-CG2 4.48Å; I373-T418 HydrophobicContact CG1-CG2 3.58Å

Retrieved 418 of 418 residues in 184.9 ms (Link to these results)

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