A0A096N1P7_PAPAN Loading...

AP-3 complex subunit mu-2

Part of the AP-3 complex, an adaptor-related complex which is not clathrin-associated. The complex is associated with the Golgi region as well as more peripheral structures. It facilitates the budding of vesicles from the Golgi membrane and may be directly involved in trafficking to lysosomes. In concert with the BLOC-1 complex, AP-3 is required to target cargos into vesicles assembled at cell bodies for delivery into neurites and nerve terminals.

AlphaFold DB (A0A2K5Z5A2), UniProt , Accession A0A096N1P7, Species PAPAN (Papio anubis, Olive baboon), Gene AP3M2, 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
1M88.6Confident95Very high28 Ų2820.8 Ų20.814%0.13814%0.137CC..  0167.90-64.7-42.6-65.700110.8H3 T72 V74 F78 G120 F121M1-H3 PolarHBondContact O-CD2 2.89Å; M1-T72 PolarHBondContact N-OG1 2.8Å; M1-V74 HydrophobicContact SD-CG1 3.91Å; M1-F78 HydrophobicContact CE-CE1 3.59Å; M1-F78 HydrophobicContact CE-CZ 3.78Å; M1-G120 WeakPolarHBondContact CB-O 3.45Å; M1-G120 WeakPolarHBondContact CE-O 3.38Å; M1-F121 HydrophobicContact CB-CE2 4.46Å; M1-F121 HydrophobicContact CE-CB 4.24Å; M1-F121 HydrophobicContact CE-CD1 3.23Å; M1-F121 HydrophobicContact CE-CD2 4.43Å; M1-F121 HydrophobicContact CE-CE1 3.59Å; M1-F121 HydrophobicContact CE-CG 3.71Å; M1-F121 HydrophobicContact CE-CZ 4.35Å; M1-F121 HydrophobicContact CG-CD1 4.03Å; M1-F121 HydrophobicContact CG-CD2 4.19Å; M1-F121 HydrophobicContact CG-CE1 3.51Å; M1-F121 HydrophobicContact CG-CE2 3.71Å; M1-F121 HydrophobicContact CG-CG 4.34Å; M1-F121 HydrophobicContact CG-CZ 3.35Å; M1-F121 HydrophobicContact SD-CD1 3.87Å; M1-F121 HydrophobicContact SD-CE1 3.52Å; M1-F121 VanDerWaalsContact SD-CE1 3.52Å; M1-F121 HydrophobicContact SD-CZ 4.03Å
2I95.3Very high94.6Very high1 Ų120.8 Ų20.81%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-75123.6-174.2-60.7164.2000110.3W20 A68 I70 V79 F82 L117 G120I2-W20 HydrophobicContact CG2-CE3 4.42Å; I2-W20 HydrophobicContact CG2-CZ3 4.23Å; I2-A68 HydrophobicContact CG2-CB 4.39Å; I2-I70 HydrophobicContact CG1-CG2 4.22Å; I2-V79 HydrophobicContact CD1-CG1 4.08Å; I2-V79 HydrophobicContact CD1-CG2 4.4Å; I2-V79 HydrophobicContact CG1-CG1 4.1Å; I2-V79 HydrophobicContact CG1-CG2 4.14Å; I2-F82 HydrophobicContact CD1-CB 4.45Å; I2-F82 HydrophobicContact CD1-CD1 3.54Å; I2-F82 HydrophobicContact CD1-CE1 4.04Å; I2-F82 HydrophobicContact CD1-CG 4.09Å; I2-L117 HydrophobicContact CB-CD2 3.99Å; I2-L117 HydrophobicContact CD1-CD1 4Å; I2-L117 HydrophobicContact CG2-CD2 3.88Å; I2-G120 PolarHBondContact N-O 2.91Å; I2-G120 VanDerWaalsContact N-O 3.17Å; I2-G120 WeakPolarHBondContact O-CA 3.26Å
3H95.9Very high94.7Very high9 Ų926.2 Ų26.24%0.04217%0.17CC..EExtended strand (participates in β ladder)trans-95.8-44.9-179.7-76.7-144000111.3M1 W20 V24 V69 Q71M1-H3 PolarHBondContact O-CD2 2.89Å; H3-W20 PolarHBondContact O-N 2.97Å; H3-V24 HydrophobicContact CB-CG2 4.26Å; H3-V69 WeakPolarHBondContact CB-O 3.39Å; H3-V69 PolarHBondContact N-O 2.98Å; H3-Q71 VanDerWaalsContact CE1-CB 3.47Å; H3-Q71 WeakPolarHBondContact CE1-CB 3.47Å; H3-Q71 PolarHBondContact CE1-OE1 3.45Å
4S97.4Very high94.9Very high0 Ų026.1 Ų26.10%017%0.167CC..EExtended strand (participates in β ladder)trans-145.7155.6-173.2-53.10000111.5K18 H19 V24 A68 V69S4-K18 CarbonylContact C-O 3.58Å; S4-K18 WeakPolarHBondContact CA-O 3.47Å; S4-H19 WeakPolarHBondContact CB-ND1 3.14Å; S4-H19 PolarHBondContact OG-ND1 2.98Å; S4-V24 WeakPolarHBondContact OG-CB 3.4Å; S4-V24 WeakPolarHBondContact OG-CG2 3.44Å; S4-A68 CarbonylContact O-C 3.53Å; S4-A68 WeakPolarHBondContact O-CA 3.14Å; S4-V69 PolarHBondContact N-O 2.85Å; S4-V69 PolarHBondContact O-N 2.87Å
5L98.2Very high95.1Very high2 Ų226.5 Ų26.51%0.0117%0.165CC..EExtended strand (participates in β ladder)trans-128.8129171.4172.363000108.1L7 E17 K18 W20 F66 V67 L83 V86 L113L5-L7 HydrophobicContact CD1-CD1 4.05Å; L5-L7 HydrophobicContact CD2-CD1 3.91Å; L5-L7 HydrophobicContact CG-CD1 3.71Å; L5-E17 CarbonylContact O-C 3.6Å; L5-E17 VanDerWaalsContact O-CA 3.28Å; L5-E17 WeakPolarHBondContact O-CA 3.35Å; L5-K18 PolarHBondContact N-O 2.88Å; L5-K18 PolarHBondContact O-N 3.43Å; L5-W20 HydrophobicContact CB-CH2 3.55Å; L5-W20 HydrophobicContact CB-CZ3 3.48Å; L5-W20 VanDerWaalsContact CB-CZ3 3.48Å; L5-W20 HydrophobicContact CD2-CH2 4.07Å; L5-W20 HydrophobicContact CG-CH2 4.47Å; L5-F66 HydrophobicContact CD1-CB 4.26Å; L5-V67 CarbonylContact C-O 3.57Å; L5-V67 WeakPolarHBondContact CA-O 3.39Å; L5-L83 HydrophobicContact CD1-CD2 3.5Å; L5-V86 HydrophobicContact CD2-CG1 4.43Å; L5-L113 HydrophobicContact CD2-CD1 4.29Å; L5-L113 HydrophobicContact CD2-CD2 3.87Å
6F98.6Very high95.3Very high0 Ų025.3 Ų25.30%016%0.157CC..EExtended strand (participates in β ladder)trans-115.8136.8172.9-61.3-83.8000109.5I14 E17 H19 R26 V28 V67 V69F6-I14 HydrophobicContact CB-CG2 4.34Å; F6-I14 HydrophobicContact CD1-CD1 4.49Å; F6-I14 HydrophobicContact CD1-CG2 3.81Å; F6-E17 HydrophobicContact CD1-CB 3.53Å; F6-E17 HydrophobicContact CE1-CB 3.68Å; F6-E17 WeakPolarHBondContact CE1-OE2 3.44Å; F6-H19 AromaticContact CZ-CE1 3.86Å; F6-R26 HydrophobicContact CE1-CG 4.15Å; F6-V28 HydrophobicContact CE2-CG1 4Å; F6-V28 HydrophobicContact CZ-CG1 4.4Å; F6-V67 HydrophobicContact CB-CB 4.43Å; F6-V67 PolarHBondContact N-O 2.82Å; F6-V67 PolarHBondContact O-N 3.24Å; F6-V69 HydrophobicContact CD2-CG2 3.83Å; F6-V69 HydrophobicContact CE2-CG2 3.54Å
7L98.5Very high95.4Very high0 Ų026.6 Ų26.60%016%0.161CC..EExtended strand (participates in β ladder)trans-108124.6171.1-86.360.4000109.1L5 I14 F15 L16 I64 F65 F66 F90 I102L5-L7 HydrophobicContact CD1-CD1 4.05Å; L5-L7 HydrophobicContact CD2-CD1 3.91Å; L5-L7 HydrophobicContact CG-CD1 3.71Å; L7-I14 WeakPolarHBondContact O-CA 3.15Å; L7-F15 HydrophobicContact CB-CD1 4.39Å; L7-F15 HydrophobicContact CB-CE1 3.82Å; L7-F15 HydrophobicContact CB-CE2 4.11Å; L7-F15 HydrophobicContact CB-CZ 3.66Å; L7-F15 HydrophobicContact CD2-CE2 4.09Å; L7-F15 HydrophobicContact CD2-CZ 3.91Å; L7-F15 HydrophobicContact CG-CZ 4.32Å; L7-F15 WeakPolarHBondContact O-CD1 3.44Å; L7-F15 PolarHBondContact O-N 2.8Å; L7-L16 HydrophobicContact CB-CB 4.2Å; L7-L16 HydrophobicContact CD1-CD2 4.17Å; L7-L16 HydrophobicContact CD2-CB 4.46Å; L7-L16 HydrophobicContact CD2-CD2 4.39Å; L7-L16 PolarHBondContact N-O 3.48Å; L7-I64 HydrophobicContact CB-CG2 4.31Å; L7-I64 HydrophobicContact CG-CG2 4.27Å; L7-F65 WeakPolarHBondContact CA-O 3.4Å; L7-F66 HydrophobicContact CD1-CD1 3.66Å; L7-F66 HydrophobicContact CD1-CE1 3.95Å; L7-F66 HydrophobicContact CD1-CG 4.43Å; L7-F66 HydrophobicContact CD2-CD1 4.33Å; L7-F66 HydrophobicContact CD2-CE1 3.79Å; L7-F66 HydrophobicContact CD2-CZ 4.23Å; L7-F66 HydrophobicContact CG-CD1 3.84Å; L7-F66 HydrophobicContact CG-CE1 3.8Å; L7-F66 HydrophobicContact CG-CG 4.43Å; L7-F66 HydrophobicContact CG-CZ 4.34Å; L7-F90 HydrophobicContact CD2-CE2 4.15Å; L7-I102 HydrophobicContact CD2-CD1 3.99Å; L7-I102 HydrophobicContact CD2-CG2 4.31Å
8I98.1Very high95.5Very high0 Ų026.6 Ų26.60%016%0.158CC..EExtended strand (participates in β ladder)trans-122.9127.8-172.6-49.1180000108.9D13 I14 F32 F33 I64 F65 V67I8-D13 WeakPolarHBondContact CA-O 3.3Å; I8-I14 HydrophobicContact CD1-CG1 4.42Å; I8-I14 HydrophobicContact CG1-CG1 4.15Å; I8-F32 HydrophobicContact CD1-CD1 3.73Å; I8-F32 HydrophobicContact CD1-CE1 3.86Å; I8-F33 HydrophobicContact CD1-CE1 4.05Å; I8-F33 HydrophobicContact CD1-CZ 4.05Å; I8-F33 HydrophobicContact CG2-CE1 3.75Å; I8-F33 HydrophobicContact CG2-CZ 4.24Å; I8-I64 WeakPolarHBondContact O-CA 3.47Å; I8-F65 HydrophobicContact CB-CB 4.18Å; I8-F65 PolarHBondContact N-O 2.86Å; I8-F65 PolarHBondContact O-N 2.92Å; I8-V67 HydrophobicContact CD1-CG2 3.81Å; I8-V67 HydrophobicContact CG1-CG2 4.41Å
9N94.8Very high95.5Very high9 Ų927.5 Ų27.55%0.04816%0.16CC..  trans-80.9178.2178.372.513.1000112S11 G12 D13 F15 E99N9-S11 PolarHBondContact O-N 2.81Å; N9-S11 WeakPolarHBondContact OD1-CA 3.29Å; N9-S11 WeakPolarHBondContact OD1-CB 3.16Å; N9-S11 PolarHBondContact OD1-N 2.84Å; N9-G12 PolarHBondContact O-N 2.84Å; N9-G12 VanDerWaalsContact O-N 3.16Å; N9-G12 PolarHBondContact OD1-N 3.03Å; N9-G12 VanDerWaalsContact OD1-N 3.15Å; N9-D13 PolarHBondContact N-O 2.61Å; N9-D13 PolarHBondContact ND2-OD2 3.11Å; N9-D13 VanDerWaalsContact ND2-OD2 3.14Å; N9-D13 PolarHBondContact OD1-N 2.97Å; N9-F15 HydrophobicContact CB-CD1 4.05Å; N9-F15 HydrophobicContact CB-CE1 4.24Å; N9-E99 WeakPolarHBondContact CB-OE2 3.4Å; N9-E99 PolarHBondContact ND2-OE2 2.92Å
10S89.3Confident95.5Very high86 Ų8627.5 Ų27.560%0.60116%0.157SC*.THydrogen-bonded Turntrans-65.8-16.5179.255.60000114.6
11S90.4Very high95.2Very high94 Ų9430.8 Ų30.866%0.65717%0.17SC*.THydrogen-bonded Turntrans-88.5-5.6178.2-52.30000112.7N9N9-S11 PolarHBondContact O-N 2.81Å; N9-S11 WeakPolarHBondContact OD1-CA 3.29Å; N9-S11 WeakPolarHBondContact OD1-CB 3.16Å; N9-S11 PolarHBondContact OD1-N 2.84Å
12G90.9Very high95.2Very high21 Ų2132.4 Ų32.422%0.21618%0.184CC..SBendtrans88.68-175.100000114.3N9 F33N9-G12 PolarHBondContact O-N 2.84Å; N9-G12 VanDerWaalsContact O-N 3.16Å; N9-G12 PolarHBondContact OD1-N 3.03Å; N9-G12 VanDerWaalsContact OD1-N 3.15Å; G12-F33 VanDerWaalsContact O-CE1 3.27Å; G12-F33 WeakPolarHBondContact O-CE1 3.46Å; G12-F33 VanDerWaalsContact O-CZ 3.26Å; G12-F33 WeakPolarHBondContact O-CZ 3.34Å
13D95.2Very high95.2Very high91 Ų9138.2 Ų38.249%0.48722%0.219SC..  trans-82.6125.8179.2-53.2-53.5000111.3I8 N9 F15I8-D13 WeakPolarHBondContact CA-O 3.3Å; N9-D13 PolarHBondContact N-O 2.61Å; N9-D13 PolarHBondContact ND2-OD2 3.11Å; N9-D13 VanDerWaalsContact ND2-OD2 3.14Å; N9-D13 PolarHBondContact OD1-N 2.97Å; D13-F15 PolarHBondContact O-N 3.12Å
14I97.9Very high95.1Very high25 Ų2538.2 Ų38.213%0.12822%0.22CC..EExtended strand (participates in β ladder)trans-74.9103.3166.4-54174.5000108F6 L7 I8 R26 C29 F33F6-I14 HydrophobicContact CB-CG2 4.34Å; F6-I14 HydrophobicContact CD1-CD1 4.49Å; F6-I14 HydrophobicContact CD1-CG2 3.81Å; L7-I14 WeakPolarHBondContact O-CA 3.15Å; I8-I14 HydrophobicContact CD1-CG1 4.42Å; I8-I14 HydrophobicContact CG1-CG1 4.15Å; I14-R26 HydrophobicContact CD1-CB 4.06Å; I14-R26 HydrophobicContact CD1-CG 4.12Å; I14-C29 HydrophobicContact CD1-CB 3.98Å; I14-F33 HydrophobicContact CD1-CE2 4.38Å; I14-F33 HydrophobicContact CD1-CZ 4.3Å; I14-F33 HydrophobicContact CG1-CZ 4Å
15F97.5Very high95.1Very high32 Ų3241.8 Ų41.814%0.1425%0.245CC..EExtended strand (participates in β ladder)trans-101.5-13.2-17572.3-95.6000114.3L7 N9 D13 I64 E99 I102 K103L7-F15 HydrophobicContact CB-CD1 4.39Å; L7-F15 HydrophobicContact CB-CE1 3.82Å; L7-F15 HydrophobicContact CB-CE2 4.11Å; L7-F15 HydrophobicContact CB-CZ 3.66Å; L7-F15 HydrophobicContact CD2-CE2 4.09Å; L7-F15 HydrophobicContact CD2-CZ 3.91Å; L7-F15 HydrophobicContact CG-CZ 4.32Å; L7-F15 WeakPolarHBondContact O-CD1 3.44Å; L7-F15 PolarHBondContact O-N 2.8Å; N9-F15 HydrophobicContact CB-CD1 4.05Å; N9-F15 HydrophobicContact CB-CE1 4.24Å; D13-F15 PolarHBondContact O-N 3.12Å; F15-I64 HydrophobicContact CE1-CG1 4.49Å; F15-I64 HydrophobicContact CE1-CG2 4.01Å; F15-I64 HydrophobicContact CZ-CD1 4.21Å; F15-I64 HydrophobicContact CZ-CG2 4.11Å; F15-E99 HydrophobicContact CD1-CG 4.1Å; F15-E99 HydrophobicContact CD2-CG 3.93Å; F15-E99 HydrophobicContact CE1-CB 4.23Å; F15-E99 HydrophobicContact CE1-CG 4.24Å; F15-E99 HydrophobicContact CE2-CB 4.29Å; F15-E99 HydrophobicContact CE2-CG 4.08Å; F15-E99 HydrophobicContact CG-CG 3.93Å; F15-E99 HydrophobicContact CZ-CB 4.08Å; F15-E99 HydrophobicContact CZ-CG 4.22Å; F15-I102 HydrophobicContact CE2-CB 4.2Å; F15-I102 HydrophobicContact CE2-CD1 4.41Å; F15-I102 HydrophobicContact CE2-CG2 3.86Å; F15-I102 HydrophobicContact CZ-CD1 4.33Å; F15-K103 HydrophobicContact CD2-CG 4.32Å
16L98.1Very high95Very high7 Ų747.4 Ų47.44%0.03727%0.266CS..EExtended strand (participates in β ladder)trans-148.8142172.7-176.8150.3000109.9L7 I102 V106 V109 L113L7-L16 HydrophobicContact CB-CB 4.2Å; L7-L16 HydrophobicContact CD1-CD2 4.17Å; L7-L16 HydrophobicContact CD2-CB 4.46Å; L7-L16 HydrophobicContact CD2-CD2 4.39Å; L7-L16 PolarHBondContact N-O 3.48Å; L16-I102 HydrophobicContact CD1-CG2 3.85Å; L16-V106 HydrophobicContact CD1-CG2 4.26Å; L16-V109 HydrophobicContact CD1-CG1 3.66Å; L16-L113 HydrophobicContact CD2-CD1 4.25Å
17E97.3Very high94.9Very high48 Ų4850.4 Ų50.422%0.22429%0.287CS..EExtended strand (participates in β ladder)trans-140139173.571.3-162.5159.800110.7L5 F6 R26 Y110L5-E17 CarbonylContact O-C 3.6Å; L5-E17 VanDerWaalsContact O-CA 3.28Å; L5-E17 WeakPolarHBondContact O-CA 3.35Å; F6-E17 HydrophobicContact CD1-CB 3.53Å; F6-E17 HydrophobicContact CE1-CB 3.68Å; F6-E17 WeakPolarHBondContact CE1-OE2 3.44Å; E17-R26 VanDerWaalsContact CD-NH2 3.29Å; E17-R26 IonicContact OE1-CZ 2.64Å; E17-R26 IonicContact OE1-NE 2.77Å; E17-R26 PolarHBondContact OE1-NE 3.11Å; E17-R26 IonicContact OE1-NH2 3.05Å; E17-R26 PolarHBondContact OE1-NH2 3Å; E17-R26 WeakPolarHBondContact OE2-CG 3.3Å; E17-R26 IonicContact OE2-CZ 2.7Å; E17-R26 IonicContact OE2-NE 2.81Å; E17-R26 PolarHBondContact OE2-NE 3.18Å; E17-R26 IonicContact OE2-NH2 2.73Å; E17-R26 PolarHBondContact OE2-NH2 3.29Å; E17-Y110 WeakPolarHBondContact O-CE1 3.19Å; E17-Y110 PolarHBondContact O-OH 3.14Å
18K96.9Very high94.8Very high25 Ų2551 Ų5111%0.10929%0.29CS..EExtended strand (participates in β ladder)trans-130.1132.9172.7178.255.4168.8710109.5S4 L5 W20 Y110 L113 E114S4-K18 CarbonylContact C-O 3.58Å; S4-K18 WeakPolarHBondContact CA-O 3.47Å; L5-K18 PolarHBondContact N-O 2.88Å; L5-K18 PolarHBondContact O-N 3.43Å; K18-W20 HydrophobicContact CB-CH2 4.02Å; K18-W20 HydrophobicContact CB-CZ2 4.28Å; K18-W20 HydrophobicContact CB-CZ3 4.22Å; K18-W20 HydrophobicContact CG-CD2 3.93Å; K18-W20 HydrophobicContact CG-CE3 4.13Å; K18-W20 HydrophobicContact CG-CH2 3.79Å; K18-W20 HydrophobicContact CG-CZ2 3.57Å; K18-W20 HydrophobicContact CG-CZ3 4.06Å; K18-W20 VanDerWaalsContact NZ-CD1 3.27Å; K18-Y110 HydrophobicContact CB-CD1 4.4Å; K18-Y110 HydrophobicContact CB-CE1 4.05Å; K18-Y110 HydrophobicContact CD-CD1 3.83Å; K18-Y110 HydrophobicContact CD-CE1 3.97Å; K18-Y110 HydrophobicContact CG-CD1 4.42Å; K18-Y110 HydrophobicContact CG-CE1 4.47Å; K18-L113 HydrophobicContact CB-CD1 4.23Å; K18-E114 WeakPolarHBondContact CE-OE2 3.29Å; K18-E114 IonicContact NZ-OE2 3.48Å; K18-E114 PolarHBondContact NZ-OE2 3.29Å
19H96.8Very high94.7Very high44 Ų4451 Ų5120%0.20429%0.29CS..EExtended strand (participates in β ladder)trans-114.3136.1174.9-51.7-62.8000109.8S4 F6 V24S4-H19 WeakPolarHBondContact CB-ND1 3.14Å; S4-H19 PolarHBondContact OG-ND1 2.98Å; F6-H19 AromaticContact CZ-CE1 3.86Å; H19-V24 PolarHBondContact CE1-O 3.49Å
20W94.9Very high94.9Very high27 Ų2754.5 Ų54.510%0.10231%0.309CS..SBendtrans-113.9-18179.2-69.3-93.9000114.3I2 H3 L5 K18 L113 L117I2-W20 HydrophobicContact CG2-CE3 4.42Å; I2-W20 HydrophobicContact CG2-CZ3 4.23Å; H3-W20 PolarHBondContact O-N 2.97Å; L5-W20 HydrophobicContact CB-CH2 3.55Å; L5-W20 HydrophobicContact CB-CZ3 3.48Å; L5-W20 VanDerWaalsContact CB-CZ3 3.48Å; L5-W20 HydrophobicContact CD2-CH2 4.07Å; L5-W20 HydrophobicContact CG-CH2 4.47Å; K18-W20 HydrophobicContact CB-CH2 4.02Å; K18-W20 HydrophobicContact CB-CZ2 4.28Å; K18-W20 HydrophobicContact CB-CZ3 4.22Å; K18-W20 HydrophobicContact CG-CD2 3.93Å; K18-W20 HydrophobicContact CG-CE3 4.13Å; K18-W20 HydrophobicContact CG-CH2 3.79Å; K18-W20 HydrophobicContact CG-CZ2 3.57Å; K18-W20 HydrophobicContact CG-CZ3 4.06Å; K18-W20 VanDerWaalsContact NZ-CD1 3.27Å; W20-L113 HydrophobicContact CZ2-CB 3.99Å; W20-L113 HydrophobicContact CZ2-CD2 4.42Å; W20-L113 WeakPolarHBondContact CZ2-O 3.37Å; W20-L113 PolarHBondContact NE1-O 3.02Å; W20-L117 HydrophobicContact CB-CD2 4.42Å; W20-L117 HydrophobicContact CD2-CD2 3.39Å; W20-L117 HydrophobicContact CD2-CG 4.47Å; W20-L117 VanDerWaalsContact CE2-CD2 3.48Å; W20-L117 HydrophobicContact CE3-CD2 3.63Å; W20-L117 HydrophobicContact CG-CD2 3.78Å; W20-L117 HydrophobicContact CH2-CD2 4.02Å; W20-L117 HydrophobicContact CZ2-CB 4.11Å; W20-L117 HydrophobicContact CZ2-CD2 3.8Å; W20-L117 HydrophobicContact CZ3-CD2 3.93Å; W20-L117 PolarHBondContact NE1-O 2.83Å; W20-L117 VanDerWaalsContact NE1-O 3.09Å
21K89.9Confident95.3Very high98 Ų9854.8 Ų54.843%0.42630%0.298SS..SBendtrans-118.8-60.6-179.1-58.5-166.277.6-173.20112N119K21-N119 VanDerWaalsContact CE-OD1 3.24Å; K21-N119 WeakPolarHBondContact CE-OD1 3.26Å
22S88.7Confident95.6Very high61 Ų6150.3 Ų50.343%0.42727%0.266SS..SBendtrans-142.4152.4177.659.80000108.7V24S22-V24 PolarHBondContact O-N 2.95Å
23V93.6Very high95.9Very high123 Ų12351.4 Ų51.475%0.74527%0.265SS*.  trans-60.7126.4172.3179.60000108.4
24V95Very high96Very high10 Ų1051.8 Ų51.86%0.06126%0.264CS..  trans-108.2127.7175176.80000107.7H3 S4 H19 S22 V28 V69H3-V24 HydrophobicContact CB-CG2 4.26Å; S4-V24 WeakPolarHBondContact OG-CB 3.4Å; S4-V24 WeakPolarHBondContact OG-CG2 3.44Å; H19-V24 PolarHBondContact CE1-O 3.49Å; S22-V24 PolarHBondContact O-N 2.95Å; V24-V28 HydrophobicContact CG1-CB 4.12Å; V24-V28 HydrophobicContact CG1-CG1 3.73Å; V24-V69 HydrophobicContact CG1-CG1 4.3Å
25S95.9Very high95.9Very high74 Ų7451.3 Ų51.352%0.51726%0.264SS..  trans-59.2139177.6178.10000111.4S27 V28S25-S27 WeakPolarHBondContact CB-OG 3.41Å; S25-S27 PolarHBondContact O-N 3.34Å; S25-S27 VanDerWaalsContact O-N 3.15Å; S25-S27 PolarHBondContact OG-N 3.22Å; S25-S27 PolarHBondContact OG-OG 3.35Å; S25-V28 WeakPolarHBondContact O-CB 3.46Å; S25-V28 VanDerWaalsContact O-CG1 3.3Å; S25-V28 WeakPolarHBondContact O-CG1 3.32Å; S25-V28 PolarHBondContact O-N 3.48Å; S25-V28 VanDerWaalsContact O-N 3.07Å
26R96.4Very high95.8Very high121 Ų12151.9 Ų51.946%0.45727%0.267SS..G310 helixtrans-58.5-24173.9-69.1-175.4-177.2-165.82.6113.6F6 I14 E17 V28 C29F6-R26 HydrophobicContact CE1-CG 4.15Å; I14-R26 HydrophobicContact CD1-CB 4.06Å; I14-R26 HydrophobicContact CD1-CG 4.12Å; E17-R26 VanDerWaalsContact CD-NH2 3.29Å; E17-R26 IonicContact OE1-CZ 2.64Å; E17-R26 IonicContact OE1-NE 2.77Å; E17-R26 PolarHBondContact OE1-NE 3.11Å; E17-R26 IonicContact OE1-NH2 3.05Å; E17-R26 PolarHBondContact OE1-NH2 3Å; E17-R26 WeakPolarHBondContact OE2-CG 3.3Å; E17-R26 IonicContact OE2-CZ 2.7Å; E17-R26 IonicContact OE2-NE 2.81Å; E17-R26 PolarHBondContact OE2-NE 3.18Å; E17-R26 IonicContact OE2-NH2 2.73Å; E17-R26 PolarHBondContact OE2-NH2 3.29Å; R26-V28 PolarHBondContact O-N 3.07Å; R26-C29 VanDerWaalsContact O-CB 3.3Å; R26-C29 WeakPolarHBondContact O-CB 3.46Å; R26-C29 PolarHBondContact O-N 3.43Å
27S96.5Very high95.6Very high63 Ų6359.4 Ų59.444%0.44130%0.302SS..G310 helixtrans-60.4-16.2175.361.80000113.4S25 C29 D30S25-S27 WeakPolarHBondContact CB-OG 3.41Å; S25-S27 PolarHBondContact O-N 3.34Å; S25-S27 VanDerWaalsContact O-N 3.15Å; S25-S27 PolarHBondContact OG-N 3.22Å; S25-S27 PolarHBondContact OG-OG 3.35Å; S27-C29 PolarHBondContact O-N 2.95Å; S27-D30 WeakPolarHBondContact CA-OD2 3.18Å; S27-D30 WeakPolarHBondContact O-CB 3.27Å; S27-D30 VanDerWaalsContact O-CG 3.26Å; S27-D30 PolarHBondContact O-N 3.03Å
28V96.6Very high95.5Very high12 Ų1267 Ų677%0.07333%0.329CS..G310 helixtrans-62.9-28.3170.180.80000111.8F6 V24 S25 R26 D30 Y31 H54 L56 V69F6-V28 HydrophobicContact CE2-CG1 4Å; F6-V28 HydrophobicContact CZ-CG1 4.4Å; V24-V28 HydrophobicContact CG1-CB 4.12Å; V24-V28 HydrophobicContact CG1-CG1 3.73Å; S25-V28 WeakPolarHBondContact O-CB 3.46Å; S25-V28 VanDerWaalsContact O-CG1 3.3Å; S25-V28 WeakPolarHBondContact O-CG1 3.32Å; S25-V28 PolarHBondContact O-N 3.48Å; S25-V28 VanDerWaalsContact O-N 3.07Å; R26-V28 PolarHBondContact O-N 3.07Å; V28-D30 PolarHBondContact O-N 3.37Å; V28-Y31 WeakPolarHBondContact O-CD2 3.31Å; V28-H54 HydrophobicContact CG2-CB 4.19Å; V28-L56 HydrophobicContact CG1-CD2 4.31Å; V28-L56 HydrophobicContact CG2-CD2 3.98Å; V28-L56 WeakPolarHBondContact O-CD1 3.41Å; V28-V69 HydrophobicContact CG1-CG2 4.04Å; V28-V69 HydrophobicContact CG2-CG1 4.44Å
29C97.3Very high95.4Very high0 Ų067.1 Ų67.10%033%0.334CS..G310 helixtrans-75.2-11.1178.4-64.20000113I14 R26 S27 Y31 F32 F33I14-C29 HydrophobicContact CD1-CB 3.98Å; R26-C29 VanDerWaalsContact O-CB 3.3Å; R26-C29 WeakPolarHBondContact O-CB 3.46Å; R26-C29 PolarHBondContact O-N 3.43Å; S27-C29 PolarHBondContact O-N 2.95Å; C29-Y31 PolarHBondContact O-N 2.73Å; C29-F32 WeakPolarHBondContact O-CA 3.46Å; C29-F32 VanDerWaalsContact O-CB 3.3Å; C29-F32 WeakPolarHBondContact O-CB 3.45Å; C29-F32 PolarHBondContact O-N 3.3Å; C29-F33 HydrophobicContact CB-CD2 4.25Å; C29-F33 HydrophobicContact CB-CE2 3.73Å; C29-F33 HydrophobicContact CB-CZ 4.3Å; C29-F33 WeakPolarHBondContact O-CD2 3.48Å; C29-F33 PolarHBondContact O-N 2.82Å
30D97.3Very high95.2Very high83 Ų8371.1 Ų71.144%0.44436%0.362SS..Hα-helixtrans-58-39.1176.6-60.7-18.2000110.9S27 V28 F32 F33 E34S27-D30 WeakPolarHBondContact CA-OD2 3.18Å; S27-D30 WeakPolarHBondContact O-CB 3.27Å; S27-D30 VanDerWaalsContact O-CG 3.26Å; S27-D30 PolarHBondContact O-N 3.03Å; V28-D30 PolarHBondContact O-N 3.37Å; D30-F32 VanDerWaalsContact C-N 3.28Å; D30-F32 PolarHBondContact O-N 2.9Å; D30-F33 PolarHBondContact O-N 2.87Å; D30-E34 WeakPolarHBondContact O-CG 3.43Å; D30-E34 PolarHBondContact O-N 3.47Å
31Y97.7Very high95Very high91 Ų9175.7 Ų75.736%0.35738%0.384SS..Hα-helixtrans-62.6-33.1173.1-63-86.7000113.2V28 C29 A35 T51 P52V28-Y31 WeakPolarHBondContact O-CD2 3.31Å; C29-Y31 PolarHBondContact O-N 2.73Å; Y31-A35 PolarHBondContact O-N 2.81Å; Y31-T51 HydrophobicContact CD1-CG2 4.21Å; Y31-T51 HydrophobicContact CD2-CG2 3.65Å; Y31-T51 HydrophobicContact CE2-CG2 4.29Å; Y31-T51 HydrophobicContact CG-CG2 3.62Å; Y31-P52 VanDerWaalsContact CZ-CD 3.47Å; Y31-P52 VanDerWaalsContact OH-CD 3.27Å; Y31-P52 WeakPolarHBondContact OH-CD 3.4Å; Y31-P52 WeakPolarHBondContact OH-CG 3.26Å
32F97.8Very high95.2Very high0 Ų072.2 Ų72.20%037%0.374CS..Hα-helixtrans-71.5-44174.8173.5-88.6000110.8I8 C29 D30 E34 A35 Q36 V45 I49 L56 F65 V67I8-F32 HydrophobicContact CD1-CD1 3.73Å; I8-F32 HydrophobicContact CD1-CE1 3.86Å; C29-F32 WeakPolarHBondContact O-CA 3.46Å; C29-F32 VanDerWaalsContact O-CB 3.3Å; C29-F32 WeakPolarHBondContact O-CB 3.45Å; C29-F32 PolarHBondContact O-N 3.3Å; D30-F32 VanDerWaalsContact C-N 3.28Å; D30-F32 PolarHBondContact O-N 2.9Å; F32-E34 PolarHBondContact O-N 3.34Å; F32-A35 WeakPolarHBondContact O-CB 3.12Å; F32-A35 PolarHBondContact O-N 2.84Å; F32-A35 VanDerWaalsContact O-N 3.17Å; F32-Q36 HydrophobicContact CE1-CB 4.45Å; F32-Q36 WeakPolarHBondContact O-CB 3.25Å; F32-Q36 PolarHBondContact O-N 2.85Å; F32-V45 HydrophobicContact CD2-CG1 4.43Å; F32-V45 HydrophobicContact CE2-CG1 3.81Å; F32-V45 HydrophobicContact CZ-CG1 4.25Å; F32-I49 HydrophobicContact CB-CD1 4.39Å; F32-I49 HydrophobicContact CD2-CD1 3.92Å; F32-L56 HydrophobicContact CB-CD1 3.82Å; F32-F65 HydrophobicContact CE1-CB 4.39Å; F32-F65 HydrophobicContact CE1-CD2 4.22Å; F32-F65 HydrophobicContact CE1-CG 4.17Å; F32-F65 AromaticContact CE2-CD1 3.96Å; F32-F65 HydrophobicContact CE2-CD1 3.96Å; F32-F65 HydrophobicContact CE2-CE1 4.28Å; F32-F65 HydrophobicContact CE2-CG 4.31Å; F32-F65 HydrophobicContact CZ-CB 3.87Å; F32-F65 AromaticContact CZ-CD1 3.46Å; F32-F65 HydrophobicContact CZ-CD1 3.46Å; F32-F65 VanDerWaalsContact CZ-CD1 3.46Å; F32-F65 AromaticContact CZ-CD2 3.8Å; F32-F65 HydrophobicContact CZ-CD2 3.8Å; F32-F65 AromaticContact CZ-CE1 3.79Å; F32-F65 HydrophobicContact CZ-CE1 3.79Å; F32-F65 HydrophobicContact CZ-CE2 4.12Å; F32-F65 AromaticContact CZ-CG 3.44Å; F32-F65 HydrophobicContact CZ-CG 3.44Å; F32-F65 VanDerWaalsContact CZ-CG 3.44Å; F32-F65 HydrophobicContact CZ-CZ 4.1Å; F32-V67 HydrophobicContact CD1-CG2 4.46Å; F32-V67 HydrophobicContact CD2-CG1 4.42Å; F32-V67 HydrophobicContact CD2-CG2 3.95Å; F32-V67 HydrophobicContact CE1-CG2 4.42Å; F32-V67 HydrophobicContact CE2-CG2 3.9Å; F32-V67 HydrophobicContact CG-CG2 4.25Å; F32-V67 HydrophobicContact CZ-CG2 4.17Å
33F97.6Very high95.4Very high44 Ų4475.4 Ų75.419%0.19338%0.382CS..Hα-helixtrans-63-41.4177.2-63.2-53.3000112.1I8 G12 I14 C29 D30 A35 Q36 E37I8-F33 HydrophobicContact CD1-CE1 4.05Å; I8-F33 HydrophobicContact CD1-CZ 4.05Å; I8-F33 HydrophobicContact CG2-CE1 3.75Å; I8-F33 HydrophobicContact CG2-CZ 4.24Å; G12-F33 VanDerWaalsContact O-CE1 3.27Å; G12-F33 WeakPolarHBondContact O-CE1 3.46Å; G12-F33 VanDerWaalsContact O-CZ 3.26Å; G12-F33 WeakPolarHBondContact O-CZ 3.34Å; I14-F33 HydrophobicContact CD1-CE2 4.38Å; I14-F33 HydrophobicContact CD1-CZ 4.3Å; I14-F33 HydrophobicContact CG1-CZ 4Å; C29-F33 HydrophobicContact CB-CD2 4.25Å; C29-F33 HydrophobicContact CB-CE2 3.73Å; C29-F33 HydrophobicContact CB-CZ 4.3Å; C29-F33 WeakPolarHBondContact O-CD2 3.48Å; C29-F33 PolarHBondContact O-N 2.82Å; D30-F33 PolarHBondContact O-N 2.87Å; F33-A35 VanDerWaalsContact C-N 3.29Å; F33-A35 PolarHBondContact O-N 2.59Å; F33-Q36 WeakPolarHBondContact O-CB 3.43Å; F33-Q36 PolarHBondContact O-N 3.44Å; F33-Q36 VanDerWaalsContact O-N 3.12Å; F33-E37 WeakPolarHBondContact O-CG 3.34Å; F33-E37 PolarHBondContact O-N 3.05Å
34E96.5Very high95.4Very high100 Ų10073.6 Ų73.647%0.46737%0.368SS..Hα-helixtrans-59.2-39.4172.8-74.8-177.3-166.100112.5D30 F32 R38D30-E34 WeakPolarHBondContact O-CG 3.43Å; D30-E34 PolarHBondContact O-N 3.47Å; F32-E34 PolarHBondContact O-N 3.34Å; E34-R38 WeakPolarHBondContact O-CG 3.44Å; E34-R38 PolarHBondContact O-N 2.78Å
35A96.1Very high95.5Very high15 Ų1573.6 Ų73.612%0.12437%0.368CS..Hα-helixtrans-70.2-36.4176.100000111.7Y31 F32 F33 R38 A39 V45 I49Y31-A35 PolarHBondContact O-N 2.81Å; F32-A35 WeakPolarHBondContact O-CB 3.12Å; F32-A35 PolarHBondContact O-N 2.84Å; F32-A35 VanDerWaalsContact O-N 3.17Å; F33-A35 VanDerWaalsContact C-N 3.29Å; F33-A35 PolarHBondContact O-N 2.59Å; A35-R38 PolarHBondContact O-N 3.08Å; A35-A39 PolarHBondContact O-N 2.73Å; A35-V45 HydrophobicContact CB-CG1 4.43Å; A35-I49 HydrophobicContact CB-CD1 3.47Å; A35-I49 VanDerWaalsContact CB-CD1 3.47Å; A35-I49 HydrophobicContact CB-CG1 4.26Å
36Q95.2Very high95.5Very high43 Ų4373 Ų7320%0.20136%0.363CS..Hα-helixtrans-63.8-44.2175.8-172.2-178.815.400112F32 F33 R38 A39 V45F32-Q36 HydrophobicContact CE1-CB 4.45Å; F32-Q36 WeakPolarHBondContact O-CB 3.25Å; F32-Q36 PolarHBondContact O-N 2.85Å; F33-Q36 WeakPolarHBondContact O-CB 3.43Å; F33-Q36 PolarHBondContact O-N 3.44Å; F33-Q36 VanDerWaalsContact O-N 3.12Å; Q36-R38 PolarHBondContact O-N 3.05Å; Q36-A39 PolarHBondContact O-N 2.93Å; Q36-A39 VanDerWaalsContact O-N 3.16Å; Q36-V45 HydrophobicContact CB-CG2 4.25Å; Q36-V45 HydrophobicContact CG-CG2 4.2Å
37E94.8Very high95.4Very high165 Ų16570.7 Ų70.777%0.77136%0.363SS*.Hα-helixtrans-62.9-29.7177.6-73.9179.7177.400113.1F33F33-E37 WeakPolarHBondContact O-CG 3.34Å; F33-E37 PolarHBondContact O-N 3.05Å
38R95.1Very high95.5Very high209 Ų20970.4 Ų70.479%0.78936%0.358SS*.Hα-helixtrans-80.3-20.2177.4-68.1176.6-167.9-151.17.2113.3E34 A35 Q36E34-R38 WeakPolarHBondContact O-CG 3.44Å; E34-R38 PolarHBondContact O-N 2.78Å; A35-R38 PolarHBondContact O-N 3.08Å; Q36-R38 PolarHBondContact O-N 3.05Å
39A93.9Very high95.5Very high26 Ų2670.6 Ų70.622%0.21536%0.359CS..  trans-79.8138.3-178.400000110.7A35 Q36 E41 N44 V45A35-A39 PolarHBondContact O-N 2.73Å; Q36-A39 PolarHBondContact O-N 2.93Å; Q36-A39 VanDerWaalsContact O-N 3.16Å; A39-E41 VanDerWaalsContact C-N 3.34Å; A39-E41 WeakPolarHBondContact CB-O 3.32Å; A39-N44 HydrophobicContact CB-CB 4.19Å; A39-V45 HydrophobicContact CB-CB 4.5Å; A39-V45 HydrophobicContact CB-CG2 3.67Å
40T91.9Very high95.4Very high128 Ų12875 Ų7579%0.78539%0.387SS*.SBendtrans-71.9-30.5176.848.10000112.8N44T40-N44 PolarHBondContact OG1-ND2 3.31Å
41E92.3Very high95.3Very high123 Ų12372 Ų7258%0.57537%0.372SS*.SBendtrans-139.9158178.6-57.2-179.515600108.2A39 E43 N44A39-E41 VanDerWaalsContact C-N 3.34Å; A39-E41 WeakPolarHBondContact CB-O 3.32Å; E41-E43 PolarHBondContact O-N 2.78Å; E41-N44 WeakPolarHBondContact O-CB 3.4Å; E41-N44 PolarHBondContact O-N 2.88Å
42A92.9Very high95.2Very high25 Ų2571.8 Ų71.821%0.20738%0.382CS..G310 helixtrans-61.2-32.4-177.600000112.3N44 V45 Y60 F65A42-N44 PolarHBondContact O-N 2.87Å; A42-V45 WeakPolarHBondContact O-CG2 3.36Å; A42-V45 PolarHBondContact O-N 3.43Å; A42-Y60 HydrophobicContact CB-CD1 3.89Å; A42-Y60 HydrophobicContact CB-CD2 4.3Å; A42-Y60 HydrophobicContact CB-CE1 3.47Å; A42-Y60 VanDerWaalsContact CB-CE1 3.47Å; A42-Y60 HydrophobicContact CB-CE2 3.9Å; A42-Y60 HydrophobicContact CB-CG 4.28Å; A42-Y60 VanDerWaalsContact CB-CZ 3.44Å; A42-F65 HydrophobicContact CB-CE2 4.13Å; A42-F65 HydrophobicContact CB-CZ 3.78Å; A42-F65 WeakPolarHBondContact O-CZ 3.42Å
43E93.2Very high94.9Very high129 Ų12978.7 Ų78.760%0.60341%0.414SS*.G310 helixtrans-68.6-19.1176.6-65.778.1-176.200113.1E41 Y60E41-E43 PolarHBondContact O-N 2.78Å; E43-Y60 HydrophobicContact CG-CD1 4.23Å; E43-Y60 WeakPolarHBondContact OE1-CE1 3.43Å
44N94.2Very high94.8Very high85 Ų8578.4 Ų78.446%0.45541%0.413SS..G310 helixtrans-90.3-1.2-180-63.3-38.1000112.8A39 T40 E41 A42A39-N44 HydrophobicContact CB-CB 4.19Å; T40-N44 PolarHBondContact OG1-ND2 3.31Å; E41-N44 WeakPolarHBondContact O-CB 3.4Å; E41-N44 PolarHBondContact O-N 2.88Å; A42-N44 PolarHBondContact O-N 2.87Å
45V95.7Very high94.8Very high10 Ų1077.7 Ų77.76%0.06141%0.407CS..SBendtrans-65.8128173.8-178.40000109.1F32 A35 Q36 A39 A42 F65F32-V45 HydrophobicContact CD2-CG1 4.43Å; F32-V45 HydrophobicContact CE2-CG1 3.81Å; F32-V45 HydrophobicContact CZ-CG1 4.25Å; A35-V45 HydrophobicContact CB-CG1 4.43Å; Q36-V45 HydrophobicContact CB-CG2 4.25Å; Q36-V45 HydrophobicContact CG-CG2 4.2Å; A39-V45 HydrophobicContact CB-CB 4.5Å; A39-V45 HydrophobicContact CB-CG2 3.67Å; A42-V45 WeakPolarHBondContact O-CG2 3.36Å; A42-V45 PolarHBondContact O-N 3.43Å; V45-F65 HydrophobicContact CB-CE1 4.15Å; V45-F65 HydrophobicContact CB-CZ 4.31Å; V45-F65 HydrophobicContact CG2-CE1 4.21Å; V45-F65 HydrophobicContact CG2-CZ 3.86Å
46P96.2Very high94.9Very high62 Ų6277 Ų7740%0.40340%0.401SS..  trans-56.6128.4178.2-26.334.8000111.7V48 I49P46-V48 PolarHBondContact O-N 2.83Å; P46-I49 HydrophobicContact CB-CG1 4.29Å
47P95.8Very high95.1Very high71 Ų7175 Ų7546%0.46139%0.392SS..SBendtrans-73.5-11.9-176.529.3-36000113.1L57 S58P47-L57 CarbonylContact O-C 3.59Å; P47-L57 VanDerWaalsContact O-CA 3.26Å; P47-L57 WeakPolarHBondContact O-CA 3.34Å; P47-S58 PolarHBondContact O-N 3.44Å
48V96.9Very high95.2Very high57 Ų5767.5 Ų67.535%0.34536%0.358SS..EExtended strand (participates in β ladder)trans-133.2119.2176.5-175.30000108.4P46 L56 L57 P76P46-V48 PolarHBondContact O-N 2.83Å; V48-L56 CarbonylContact C-O 3.54Å; V48-L56 WeakPolarHBondContact CA-O 3.47Å; V48-L57 HydrophobicContact CG1-CG 4.47Å; V48-L57 HydrophobicContact CG2-CD2 4.18Å; V48-L57 HydrophobicContact CG2-CG 4.31Å; V48-P76 HydrophobicContact CG2-CB 4.06Å
49I97.4Very high95.4Very high16 Ų1658 Ų588%0.08232%0.323CS..EExtended strand (participates in β ladder)trans-123.1114.5-178.6-59.5165.5000108.4F32 A35 P46 L56F32-I49 HydrophobicContact CB-CD1 4.39Å; F32-I49 HydrophobicContact CD2-CD1 3.92Å; A35-I49 HydrophobicContact CB-CD1 3.47Å; A35-I49 VanDerWaalsContact CB-CD1 3.47Å; A35-I49 HydrophobicContact CB-CG1 4.26Å; P46-I49 HydrophobicContact CB-CG1 4.29Å; I49-L56 HydrophobicContact CB-CB 4.24Å; I49-L56 PolarHBondContact N-O 3.49Å; I49-L56 PolarHBondContact O-N 3.13Å
50P95.5Very high95.5Very high92 Ų9259.7 Ų59.760%0.59732%0.324SS*.EExtended strand (participates in β ladder)trans-74.7141.4173.631.1-33000110.7Y55P50-Y55 HydrophobicContact CB-CD1 4.08Å; P50-Y55 HydrophobicContact CB-CE1 4.15Å
51T95.1Very high95.7Very high21 Ų2156.6 Ų56.613%0.12930%0.298CS..  trans-126.5170.3171.878.60000108.8Y31 H53 H54 L56Y31-T51 HydrophobicContact CD1-CG2 4.21Å; Y31-T51 HydrophobicContact CD2-CG2 3.65Å; Y31-T51 HydrophobicContact CE2-CG2 4.29Å; Y31-T51 HydrophobicContact CG-CG2 3.62Å; T51-H53 PolarHBondContact O-N 3.43Å; T51-H53 VanDerWaalsContact O-N 3.09Å; T51-H54 WeakPolarHBondContact CA-O 3.27Å; T51-H54 WeakPolarHBondContact CB-O 3.22Å; T51-H54 PolarHBondContact N-O 3.11Å; T51-H54 VanDerWaalsContact OG1-C 3.27Å; T51-H54 WeakPolarHBondContact OG1-CA 3.47Å; T51-H54 WeakPolarHBondContact OG1-CB 3.36Å; T51-H54 PolarHBondContact OG1-N 3.4Å; T51-H54 PolarHBondContact OG1-O 3.43Å; T51-L56 HydrophobicContact CG2-CD1 4.11Å; T51-L56 HydrophobicContact CG2-CG 3.99Å
52P94.3Very high95.9Very high87 Ų8754.6 Ų54.657%0.56529%0.288SS*.SBendtrans-56.6-29.5-177.2-28.836.7000115.4Y31Y31-P52 VanDerWaalsContact CZ-CD 3.47Å; Y31-P52 VanDerWaalsContact OH-CD 3.27Å; Y31-P52 WeakPolarHBondContact OH-CD 3.4Å; Y31-P52 WeakPolarHBondContact OH-CG 3.26Å
53H93.1Very high96Very high145 Ų14560.6 Ų60.667%0.67131%0.31SS*.SBendtrans-131.8-8-174.1-59.3-44.6000114.4T51 Q71T51-H53 PolarHBondContact O-N 3.43Å; T51-H53 VanDerWaalsContact O-N 3.09Å; H53-Q71 WeakPolarHBondContact O-CG 3.27Å
54H95.6Very high96.2Very high37 Ų3754.6 Ų54.617%0.17128%0.282CS..  trans-140.7167-176.9-58.992.3000110.9V28 T51 V69 I70V28-H54 HydrophobicContact CG2-CB 4.19Å; T51-H54 WeakPolarHBondContact CA-O 3.27Å; T51-H54 WeakPolarHBondContact CB-O 3.22Å; T51-H54 PolarHBondContact N-O 3.11Å; T51-H54 VanDerWaalsContact OG1-C 3.27Å; T51-H54 WeakPolarHBondContact OG1-CA 3.47Å; T51-H54 WeakPolarHBondContact OG1-CB 3.36Å; T51-H54 PolarHBondContact OG1-N 3.4Å; T51-H54 PolarHBondContact OG1-O 3.43Å; H54-V69 HydrophobicContact CB-CG1 3.72Å; H54-I70 CarbonylContact C-O 3.52Å; H54-I70 VanDerWaalsContact CA-O 3.24Å; H54-I70 WeakPolarHBondContact CA-O 3.39Å; H54-I70 WeakPolarHBondContact CB-O 3.25Å
55Y96.6Very high96.4Very high86 Ų8650.7 Ų50.734%0.33726%0.261SS..EExtended strand (participates in β ladder)trans-117.5136.6162.9-54-94.7000108.6P50 I70P50-Y55 HydrophobicContact CB-CD1 4.08Å; P50-Y55 HydrophobicContact CB-CE1 4.15Å; Y55-I70 HydrophobicContact CD2-CD1 4.31Å; Y55-I70 HydrophobicContact CD2-CG1 4.1Å; Y55-I70 HydrophobicContact CG-CD1 4.44Å; Y55-I70 HydrophobicContact CG-CG1 4.3Å; Y55-I70 PolarHBondContact N-O 3.25Å; Y55-I70 PolarHBondContact O-N 2.79Å
56L98.1Very high96.5Very high1 Ų150.2 Ų50.21%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-99.5128.7172.8-52.5178.4000108.1V28 F32 V48 I49 T51 V67 A68 V69V28-L56 HydrophobicContact CG1-CD2 4.31Å; V28-L56 HydrophobicContact CG2-CD2 3.98Å; V28-L56 WeakPolarHBondContact O-CD1 3.41Å; F32-L56 HydrophobicContact CB-CD1 3.82Å; V48-L56 CarbonylContact C-O 3.54Å; V48-L56 WeakPolarHBondContact CA-O 3.47Å; I49-L56 HydrophobicContact CB-CB 4.24Å; I49-L56 PolarHBondContact N-O 3.49Å; I49-L56 PolarHBondContact O-N 3.13Å; T51-L56 HydrophobicContact CG2-CD1 4.11Å; T51-L56 HydrophobicContact CG2-CG 3.99Å; L56-V67 HydrophobicContact CB-CG1 4.12Å; L56-V67 HydrophobicContact CD2-CG1 4.37Å; L56-A68 WeakPolarHBondContact CA-O 3.43Å; L56-V69 HydrophobicContact CD2-CB 4.31Å; L56-V69 HydrophobicContact CD2-CG1 4.17Å; L56-V69 HydrophobicContact CD2-CG2 3.61Å
57L98.2Very high96.6Very high1 Ų147.3 Ų47.31%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-121.6127.3175.6-65.692.3000108.1P47 V48 V67 A68 I70 P76 V79 L83P47-L57 CarbonylContact O-C 3.59Å; P47-L57 VanDerWaalsContact O-CA 3.26Å; P47-L57 WeakPolarHBondContact O-CA 3.34Å; V48-L57 HydrophobicContact CG1-CG 4.47Å; V48-L57 HydrophobicContact CG2-CD2 4.18Å; V48-L57 HydrophobicContact CG2-CG 4.31Å; L57-V67 CarbonylContact O-C 3.59Å; L57-V67 WeakPolarHBondContact O-CA 3.23Å; L57-A68 PolarHBondContact N-O 3.27Å; L57-A68 PolarHBondContact O-N 3.01Å; L57-I70 HydrophobicContact CD1-CD1 3.45Å; L57-I70 VanDerWaalsContact CD1-CD1 3.45Å; L57-I70 HydrophobicContact CD1-CG1 3.61Å; L57-I70 HydrophobicContact CD1-CG2 4.18Å; L57-P76 HydrophobicContact CD2-CB 3.66Å; L57-P76 HydrophobicContact CD2-CG 4.48Å; L57-V79 HydrophobicContact CB-CB 4.39Å; L57-V79 HydrophobicContact CB-CG1 3.9Å; L57-V79 HydrophobicContact CD2-CB 3.89Å; L57-V79 HydrophobicContact CD2-CG1 4.29Å; L57-V79 HydrophobicContact CD2-CG2 4.22Å; L57-V79 HydrophobicContact CG-CG1 4.46Å; L57-L83 WeakPolarHBondContact O-CD1 3.24Å
58S97.7Very high96.7Very high7 Ų743.9 Ų43.95%0.04922%0.217CC..EExtended strand (participates in β ladder)trans-131.5148.7-170.566.50000113.2P47 F66P47-S58 PolarHBondContact O-N 3.44Å; S58-F66 VanDerWaalsContact CA-O 3.24Å; S58-F66 WeakPolarHBondContact CA-O 3.29Å
59V98.1Very high96.8Very high10 Ų1041.2 Ų41.26%0.06120%0.201CC..EExtended strand (participates in β ladder)trans-128.7142.7165.7-58.50000109.1F65 F66 I80 L83V59-F65 WeakPolarHBondContact O-CA 3.34Å; V59-F66 HydrophobicContact CG2-CB 3.84Å; V59-F66 HydrophobicContact CG2-CD2 4.45Å; V59-F66 HydrophobicContact CG2-CG 4.42Å; V59-F66 PolarHBondContact N-O 2.89Å; V59-F66 VanDerWaalsContact N-O 3.08Å; V59-F66 PolarHBondContact O-N 2.83Å; V59-I80 HydrophobicContact CG1-CG2 3.91Å; V59-L83 HydrophobicContact CG1-CB 4.09Å; V59-L83 HydrophobicContact CG1-CD1 4.31Å; V59-L83 HydrophobicContact CG2-CB 3.62Å; V59-L83 HydrophobicContact CG2-CD1 4.38Å
60Y97.4Very high96.7Very high61 Ų6140.6 Ų40.624%0.23920%0.198CC..EExtended strand (participates in β ladder)trans-108.6112.1176-174.7-118.2000110.1A42 E43 K63 F65A42-Y60 HydrophobicContact CB-CD1 3.89Å; A42-Y60 HydrophobicContact CB-CD2 4.3Å; A42-Y60 HydrophobicContact CB-CE1 3.47Å; A42-Y60 VanDerWaalsContact CB-CE1 3.47Å; A42-Y60 HydrophobicContact CB-CE2 3.9Å; A42-Y60 HydrophobicContact CB-CG 4.28Å; A42-Y60 VanDerWaalsContact CB-CZ 3.44Å; E43-Y60 HydrophobicContact CG-CD1 4.23Å; E43-Y60 WeakPolarHBondContact OE1-CE1 3.43Å; Y60-K63 WeakPolarHBondContact OH-CA 3.48Å; Y60-F65 AromaticContact CD2-CD1 3.71Å; Y60-F65 HydrophobicContact CD2-CD1 3.71Å; Y60-F65 AromaticContact CD2-CD2 3.65Å; Y60-F65 HydrophobicContact CD2-CD2 3.65Å; Y60-F65 AromaticContact CD2-CE1 3.64Å; Y60-F65 HydrophobicContact CD2-CE1 3.64Å; Y60-F65 AromaticContact CD2-CE2 3.55Å; Y60-F65 HydrophobicContact CD2-CE2 3.55Å; Y60-F65 AromaticContact CD2-CG 3.73Å; Y60-F65 HydrophobicContact CD2-CG 3.73Å; Y60-F65 AromaticContact CD2-CZ 3.56Å; Y60-F65 HydrophobicContact CD2-CZ 3.56Å; Y60-F65 AromaticContact CE2-CD2 3.93Å; Y60-F65 HydrophobicContact CE2-CD2 3.93Å; Y60-F65 AromaticContact CE2-CE2 3.7Å; Y60-F65 HydrophobicContact CE2-CE2 3.7Å; Y60-F65 HydrophobicContact CE2-CG 4.45Å; Y60-F65 HydrophobicContact CE2-CZ 4.05Å; Y60-F65 HydrophobicContact CG-CD1 4.17Å; Y60-F65 AromaticContact CG-CE1 3.85Å; Y60-F65 HydrophobicContact CG-CE1 3.85Å; Y60-F65 HydrophobicContact CG-CE2 4.43Å; Y60-F65 AromaticContact CG-CZ 4Å; Y60-F65 HydrophobicContact CG-CZ 4Å
61R96.1Very high96.6Very high62 Ų6241.2 Ų41.223%0.23419%0.193CC..EExtended strand (participates in β ladder)trans-144.3143.2178.3-69.9-172.266.9-168.71110.7K63 I64 H84 V87 D88R61-K63 PolarHBondContact O-N 2.93Å; R61-K63 VanDerWaalsContact O-N 3.16Å; R61-I64 PolarHBondContact N-O 2.88Å; R61-I64 PolarHBondContact O-N 2.81Å; R61-I64 VanDerWaalsContact O-O 3.07Å; R61-H84 WeakPolarHBondContact CD-ND1 3.14Å; R61-H84 PolarHBondContact NH1-O 2.99Å; R61-V87 HydrophobicContact CB-CG1 3.94Å; R61-V87 HydrophobicContact CB-CG2 4.35Å; R61-D88 IonicContact CZ-OD1 3.61Å; R61-D88 VanDerWaalsContact CZ-OD1 3.23Å; R61-D88 IonicContact NH1-OD1 2.77Å; R61-D88 PolarHBondContact NH1-OD1 2.98Å; R61-D88 IonicContact NH1-OD2 2.7Å; R61-D88 IonicContact NH2-OD1 2.75Å; R61-D88 PolarHBondContact NH2-OD1 3.11Å
62H95.1Very high96.4Very high81 Ų8144.1 Ų44.138%0.37521%0.21SC..THydrogen-bonded Turntrans5334.6-179.5-54102.1000113.6I64 V87 Q91 C97H62-I64 PolarHBondContact O-N 2.77Å; H62-V87 WeakPolarHBondContact ND1-CG1 3.29Å; H62-Q91 PolarHBondContact CE1-OE1 3.06Å; H62-Q91 VanDerWaalsContact CE1-OE1 3.28Å; H62-Q91 PolarHBondContact NE2-OE1 3.02Å; H62-C97 HydrophobicContact CB-CB 4.36Å; H62-C97 WeakPolarHBondContact CB-O 3.4Å
63K95.3Very high96Very high151 Ų15148 Ų4866%0.65722%0.221SC*.THydrogen-bonded Turntrans62.921.5-176.1-51.4-177.4178.9-176.40115.3Y60 R61Y60-K63 WeakPolarHBondContact OH-CA 3.48Å; R61-K63 PolarHBondContact O-N 2.93Å; R61-K63 VanDerWaalsContact O-N 3.16Å
64I97.4Very high95.9Very high4 Ų442 Ų422%0.02119%0.194CC..EExtended strand (participates in β ladder)trans-121.6135.3176.9-61.3164.7000108L7 I8 F15 R61 H62 F66 I102L7-I64 HydrophobicContact CB-CG2 4.31Å; L7-I64 HydrophobicContact CG-CG2 4.27Å; I8-I64 WeakPolarHBondContact O-CA 3.47Å; F15-I64 HydrophobicContact CE1-CG1 4.49Å; F15-I64 HydrophobicContact CE1-CG2 4.01Å; F15-I64 HydrophobicContact CZ-CD1 4.21Å; F15-I64 HydrophobicContact CZ-CG2 4.11Å; R61-I64 PolarHBondContact N-O 2.88Å; R61-I64 PolarHBondContact O-N 2.81Å; R61-I64 VanDerWaalsContact O-O 3.07Å; H62-I64 PolarHBondContact O-N 2.77Å; I64-F66 HydrophobicContact CB-CD2 4.46Å; I64-F66 HydrophobicContact CB-CE2 3.89Å; I64-F66 HydrophobicContact CG2-CD2 4.02Å; I64-F66 HydrophobicContact CG2-CE2 3.65Å; I64-F66 HydrophobicContact CG2-CZ 4.15Å; I64-I102 HydrophobicContact CD1-CD1 4.06Å
65F98.3Very high95.9Very high3 Ų344.7 Ų44.71%0.01322%0.215CC..EExtended strand (participates in β ladder)trans-88.5129.3165.7-73.2-81.6000110L7 I8 F32 A42 V45 V59 Y60 V67L7-F65 WeakPolarHBondContact CA-O 3.4Å; I8-F65 HydrophobicContact CB-CB 4.18Å; I8-F65 PolarHBondContact N-O 2.86Å; I8-F65 PolarHBondContact O-N 2.92Å; F32-F65 HydrophobicContact CE1-CB 4.39Å; F32-F65 HydrophobicContact CE1-CD2 4.22Å; F32-F65 HydrophobicContact CE1-CG 4.17Å; F32-F65 AromaticContact CE2-CD1 3.96Å; F32-F65 HydrophobicContact CE2-CD1 3.96Å; F32-F65 HydrophobicContact CE2-CE1 4.28Å; F32-F65 HydrophobicContact CE2-CG 4.31Å; F32-F65 HydrophobicContact CZ-CB 3.87Å; F32-F65 AromaticContact CZ-CD1 3.46Å; F32-F65 HydrophobicContact CZ-CD1 3.46Å; F32-F65 VanDerWaalsContact CZ-CD1 3.46Å; F32-F65 AromaticContact CZ-CD2 3.8Å; F32-F65 HydrophobicContact CZ-CD2 3.8Å; F32-F65 AromaticContact CZ-CE1 3.79Å; F32-F65 HydrophobicContact CZ-CE1 3.79Å; F32-F65 HydrophobicContact CZ-CE2 4.12Å; F32-F65 AromaticContact CZ-CG 3.44Å; F32-F65 HydrophobicContact CZ-CG 3.44Å; F32-F65 VanDerWaalsContact CZ-CG 3.44Å; F32-F65 HydrophobicContact CZ-CZ 4.1Å; A42-F65 HydrophobicContact CB-CE2 4.13Å; A42-F65 HydrophobicContact CB-CZ 3.78Å; A42-F65 WeakPolarHBondContact O-CZ 3.42Å; V45-F65 HydrophobicContact CB-CE1 4.15Å; V45-F65 HydrophobicContact CB-CZ 4.31Å; V45-F65 HydrophobicContact CG2-CE1 4.21Å; V45-F65 HydrophobicContact CG2-CZ 3.86Å; V59-F65 WeakPolarHBondContact O-CA 3.34Å; Y60-F65 AromaticContact CD2-CD1 3.71Å; Y60-F65 HydrophobicContact CD2-CD1 3.71Å; Y60-F65 AromaticContact CD2-CD2 3.65Å; Y60-F65 HydrophobicContact CD2-CD2 3.65Å; Y60-F65 AromaticContact CD2-CE1 3.64Å; Y60-F65 HydrophobicContact CD2-CE1 3.64Å; Y60-F65 AromaticContact CD2-CE2 3.55Å; Y60-F65 HydrophobicContact CD2-CE2 3.55Å; Y60-F65 AromaticContact CD2-CG 3.73Å; Y60-F65 HydrophobicContact CD2-CG 3.73Å; Y60-F65 AromaticContact CD2-CZ 3.56Å; Y60-F65 HydrophobicContact CD2-CZ 3.56Å; Y60-F65 AromaticContact CE2-CD2 3.93Å; Y60-F65 HydrophobicContact CE2-CD2 3.93Å; Y60-F65 AromaticContact CE2-CE2 3.7Å; Y60-F65 HydrophobicContact CE2-CE2 3.7Å; Y60-F65 HydrophobicContact CE2-CG 4.45Å; Y60-F65 HydrophobicContact CE2-CZ 4.05Å; Y60-F65 HydrophobicContact CG-CD1 4.17Å; Y60-F65 AromaticContact CG-CE1 3.85Å; Y60-F65 HydrophobicContact CG-CE1 3.85Å; Y60-F65 HydrophobicContact CG-CE2 4.43Å; Y60-F65 AromaticContact CG-CZ 4Å; Y60-F65 HydrophobicContact CG-CZ 4Å; F65-V67 HydrophobicContact CB-CG2 4.12Å
66F98.6Very high95.7Very high0 Ų043.5 Ų43.50%022%0.218CC..EExtended strand (participates in β ladder)trans-104.3110.7169.5-67.5-107.3000106.8L5 L7 S58 V59 I64 L83 V86 V87 F90L5-F66 HydrophobicContact CD1-CB 4.26Å; L7-F66 HydrophobicContact CD1-CD1 3.66Å; L7-F66 HydrophobicContact CD1-CE1 3.95Å; L7-F66 HydrophobicContact CD1-CG 4.43Å; L7-F66 HydrophobicContact CD2-CD1 4.33Å; L7-F66 HydrophobicContact CD2-CE1 3.79Å; L7-F66 HydrophobicContact CD2-CZ 4.23Å; L7-F66 HydrophobicContact CG-CD1 3.84Å; L7-F66 HydrophobicContact CG-CE1 3.8Å; L7-F66 HydrophobicContact CG-CG 4.43Å; L7-F66 HydrophobicContact CG-CZ 4.34Å; S58-F66 VanDerWaalsContact CA-O 3.24Å; S58-F66 WeakPolarHBondContact CA-O 3.29Å; V59-F66 HydrophobicContact CG2-CB 3.84Å; V59-F66 HydrophobicContact CG2-CD2 4.45Å; V59-F66 HydrophobicContact CG2-CG 4.42Å; V59-F66 PolarHBondContact N-O 2.89Å; V59-F66 VanDerWaalsContact N-O 3.08Å; V59-F66 PolarHBondContact O-N 2.83Å; I64-F66 HydrophobicContact CB-CD2 4.46Å; I64-F66 HydrophobicContact CB-CE2 3.89Å; I64-F66 HydrophobicContact CG2-CD2 4.02Å; I64-F66 HydrophobicContact CG2-CE2 3.65Å; I64-F66 HydrophobicContact CG2-CZ 4.15Å; F66-L83 HydrophobicContact CB-CD2 4.16Å; F66-V86 HydrophobicContact CD1-CG1 4.27Å; F66-V86 HydrophobicContact CE1-CG1 4.13Å; F66-V87 HydrophobicContact CD1-CG2 4.13Å; F66-V87 HydrophobicContact CD2-CG2 3.66Å; F66-V87 HydrophobicContact CE1-CG2 3.94Å; F66-V87 HydrophobicContact CE2-CG2 3.48Å; F66-V87 VanDerWaalsContact CE2-CG2 3.48Å; F66-V87 HydrophobicContact CG-CG2 4.01Å; F66-V87 HydrophobicContact CZ-CB 4.48Å; F66-V87 HydrophobicContact CZ-CG2 3.63Å; F66-F90 HydrophobicContact CE1-CD2 4.17Å; F66-F90 HydrophobicContact CE1-CE2 4.02Å; F66-F90 HydrophobicContact CZ-CD2 4.44Å
67V98.5Very high95.6Very high0 Ų049.9 Ų49.90%025%0.251CS..EExtended strand (participates in β ladder)trans-113.8106.8-173.3-173.90000109.3L5 F6 I8 F32 L56 L57 F65L5-V67 CarbonylContact C-O 3.57Å; L5-V67 WeakPolarHBondContact CA-O 3.39Å; F6-V67 HydrophobicContact CB-CB 4.43Å; F6-V67 PolarHBondContact N-O 2.82Å; F6-V67 PolarHBondContact O-N 3.24Å; I8-V67 HydrophobicContact CD1-CG2 3.81Å; I8-V67 HydrophobicContact CG1-CG2 4.41Å; F32-V67 HydrophobicContact CD1-CG2 4.46Å; F32-V67 HydrophobicContact CD2-CG1 4.42Å; F32-V67 HydrophobicContact CD2-CG2 3.95Å; F32-V67 HydrophobicContact CE1-CG2 4.42Å; F32-V67 HydrophobicContact CE2-CG2 3.9Å; F32-V67 HydrophobicContact CG-CG2 4.25Å; F32-V67 HydrophobicContact CZ-CG2 4.17Å; L56-V67 HydrophobicContact CB-CG1 4.12Å; L56-V67 HydrophobicContact CD2-CG1 4.37Å; L57-V67 CarbonylContact O-C 3.59Å; L57-V67 WeakPolarHBondContact O-CA 3.23Å; F65-V67 HydrophobicContact CB-CG2 4.12Å
68A98.2Very high95.4Very high0 Ų053.9 Ų53.90%027%0.269CS..EExtended strand (participates in β ladder)trans-83.1143.2170.400000111.1I2 S4 L56 L57 V79 L83I2-A68 HydrophobicContact CG2-CB 4.39Å; S4-A68 CarbonylContact O-C 3.53Å; S4-A68 WeakPolarHBondContact O-CA 3.14Å; L56-A68 WeakPolarHBondContact CA-O 3.43Å; L57-A68 PolarHBondContact N-O 3.27Å; L57-A68 PolarHBondContact O-N 3.01Å; A68-V79 HydrophobicContact CB-CG1 3.5Å; A68-L83 HydrophobicContact CB-CD1 4Å; A68-L83 HydrophobicContact CB-CD2 4.08Å; A68-L83 HydrophobicContact CB-CG 4.36Å
69V97.9Very high95.3Very high0 Ų053.6 Ų53.60%027%0.267CS..EExtended strand (participates in β ladder)trans-111.4127.6171.7-171.40000109.3H3 S4 F6 V24 V28 H54 L56H3-V69 WeakPolarHBondContact CB-O 3.39Å; H3-V69 PolarHBondContact N-O 2.98Å; S4-V69 PolarHBondContact N-O 2.85Å; S4-V69 PolarHBondContact O-N 2.87Å; F6-V69 HydrophobicContact CD2-CG2 3.83Å; F6-V69 HydrophobicContact CE2-CG2 3.54Å; V24-V69 HydrophobicContact CG1-CG1 4.3Å; V28-V69 HydrophobicContact CG1-CG2 4.04Å; V28-V69 HydrophobicContact CG2-CG1 4.44Å; H54-V69 HydrophobicContact CB-CG1 3.72Å; L56-V69 HydrophobicContact CD2-CB 4.31Å; L56-V69 HydrophobicContact CD2-CG1 4.17Å; L56-V69 HydrophobicContact CD2-CG2 3.61Å
70I96.3Very high95.3Very high4 Ų454.6 Ų54.62%0.02127%0.271CS..EExtended strand (participates in β ladder)trans-120.9147.2170.667.3175.5000109.8I2 H54 Y55 L57 T72 V74 V79I2-I70 HydrophobicContact CG1-CG2 4.22Å; H54-I70 CarbonylContact C-O 3.52Å; H54-I70 VanDerWaalsContact CA-O 3.24Å; H54-I70 WeakPolarHBondContact CA-O 3.39Å; H54-I70 WeakPolarHBondContact CB-O 3.25Å; Y55-I70 HydrophobicContact CD2-CD1 4.31Å; Y55-I70 HydrophobicContact CD2-CG1 4.1Å; Y55-I70 HydrophobicContact CG-CD1 4.44Å; Y55-I70 HydrophobicContact CG-CG1 4.3Å; Y55-I70 PolarHBondContact N-O 3.25Å; Y55-I70 PolarHBondContact O-N 2.79Å; L57-I70 HydrophobicContact CD1-CD1 3.45Å; L57-I70 VanDerWaalsContact CD1-CD1 3.45Å; L57-I70 HydrophobicContact CD1-CG1 3.61Å; L57-I70 HydrophobicContact CD1-CG2 4.18Å; I70-T72 WeakPolarHBondContact CD1-O 3.28Å; I70-V74 HydrophobicContact CD1-CG2 3.64Å; I70-V74 HydrophobicContact CG2-CG2 4.37Å; I70-V79 HydrophobicContact CG2-CG2 4.2Å
71Q92.7Very high95.1Very high105 Ų10556.2 Ų56.249%0.49128%0.281SS..SBendtrans-101.7-24.9175.6-165.7178.53.900112.7H3 H53H3-Q71 VanDerWaalsContact CE1-CB 3.47Å; H3-Q71 WeakPolarHBondContact CE1-CB 3.47Å; H3-Q71 PolarHBondContact CE1-OE1 3.45Å; H53-Q71 WeakPolarHBondContact O-CG 3.27Å
72T90Very high95.2Very high81 Ų8153.7 Ų53.750%0.49727%0.272SS..SBendtrans-114.5141.7-179.739.30000109.3M1 I70 V74M1-T72 PolarHBondContact N-OG1 2.8Å; I70-T72 WeakPolarHBondContact CD1-O 3.28Å; T72-V74 PolarHBondContact O-N 2.95Å
73E86.9Confident95.3Very high168 Ų16849.8 Ų49.879%0.78525%0.254SS*.  trans-59.6126.8177.1-169.1175.6174.600110.2
74V91.2Very high95.3Very high19 Ų1945.6 Ų45.612%0.11524%0.236CC..  trans-135.4157.8172-62.70000107.9M1 I70 T72 P76 V79M1-V74 HydrophobicContact SD-CG1 3.91Å; I70-V74 HydrophobicContact CD1-CG2 3.64Å; I70-V74 HydrophobicContact CG2-CG2 4.37Å; T72-V74 PolarHBondContact O-N 2.95Å; V74-P76 WeakPolarHBondContact O-CD 3.35Å; V74-P76 VanDerWaalsContact O-N 3.07Å; V74-V79 HydrophobicContact CG2-CG2 3.62Å
75P94.4Very high95.2Very high95 Ų9548.5 Ų48.562%0.61725%0.247SC*.  trans-51.7117.3174.7-27.736000111L77 F78P75-L77 VanDerWaalsContact C-N 3.26Å; P75-L77 PolarHBondContact O-N 2.77Å; P75-F78 HydrophobicContact CB-CB 4.4Å; P75-F78 VanDerWaalsContact O-CB 3.31Å; P75-F78 WeakPolarHBondContact O-CB 3.48Å; P75-F78 PolarHBondContact O-N 3.03Å
76P94.2Very high95.2Very high60 Ų6048.3 Ų48.339%0.3925%0.246SC..Hα-helixtrans-59.2-36.8-172.7-30.537.7000113.7V48 L57 V74 F78 V79 I80V48-P76 HydrophobicContact CG2-CB 4.06Å; L57-P76 HydrophobicContact CD2-CB 3.66Å; L57-P76 HydrophobicContact CD2-CG 4.48Å; V74-P76 WeakPolarHBondContact O-CD 3.35Å; V74-P76 VanDerWaalsContact O-N 3.07Å; P76-F78 PolarHBondContact O-N 2.71Å; P76-V79 PolarHBondContact O-N 2.82Å; P76-V79 VanDerWaalsContact O-N 3.1Å; P76-I80 WeakPolarHBondContact O-CG1 3.4Å; P76-I80 PolarHBondContact O-N 2.86Å
77L94.8Very high95.1Very high136 Ų13648.3 Ų48.371%0.71225%0.246SC*.Hα-helixtrans-60.1-30.2178.4-69.1176.9000113.2P75 E81P75-L77 VanDerWaalsContact C-N 3.26Å; P75-L77 PolarHBondContact O-N 2.77Å; L77-E81 VanDerWaalsContact O-CB 3.31Å; L77-E81 WeakPolarHBondContact O-CB 3.41Å; L77-E81 PolarHBondContact O-N 2.82Å
78F94.2Very high94.8Very high85 Ų8551.6 Ų51.637%0.37326%0.264SS..Hα-helixtrans-64.7-42.9176166-94000111.6M1 P75 P76 F82 P122M1-F78 HydrophobicContact CE-CE1 3.59Å; M1-F78 HydrophobicContact CE-CZ 3.78Å; P75-F78 HydrophobicContact CB-CB 4.4Å; P75-F78 VanDerWaalsContact O-CB 3.31Å; P75-F78 WeakPolarHBondContact O-CB 3.48Å; P75-F78 PolarHBondContact O-N 3.03Å; P76-F78 PolarHBondContact O-N 2.71Å; F78-F82 PolarHBondContact O-N 2.8Å; F78-F82 VanDerWaalsContact O-N 3.14Å; F78-P122 HydrophobicContact CE1-CG 4.16Å; F78-P122 HydrophobicContact CE2-CG 4.06Å; F78-P122 HydrophobicContact CZ-CG 3.57Å
79V96.6Very high94.7Very high0 Ų051.7 Ų51.70%027%0.265CS..Hα-helixtrans-71.7-41.9178-177.20000110.4I2 L57 A68 I70 V74 P76 F82 L83I2-V79 HydrophobicContact CD1-CG1 4.08Å; I2-V79 HydrophobicContact CD1-CG2 4.4Å; I2-V79 HydrophobicContact CG1-CG1 4.1Å; I2-V79 HydrophobicContact CG1-CG2 4.14Å; L57-V79 HydrophobicContact CB-CB 4.39Å; L57-V79 HydrophobicContact CB-CG1 3.9Å; L57-V79 HydrophobicContact CD2-CB 3.89Å; L57-V79 HydrophobicContact CD2-CG1 4.29Å; L57-V79 HydrophobicContact CD2-CG2 4.22Å; L57-V79 HydrophobicContact CG-CG1 4.46Å; A68-V79 HydrophobicContact CB-CG1 3.5Å; I70-V79 HydrophobicContact CG2-CG2 4.2Å; V74-V79 HydrophobicContact CG2-CG2 3.62Å; P76-V79 PolarHBondContact O-N 2.82Å; P76-V79 VanDerWaalsContact O-N 3.1Å; V79-F82 WeakPolarHBondContact O-CB 3.46Å; V79-F82 PolarHBondContact O-N 3.48Å; V79-L83 HydrophobicContact CG1-CD1 4.31Å; V79-L83 HydrophobicContact CG1-CG 4.49Å; V79-L83 VanDerWaalsContact O-CG 3.32Å; V79-L83 WeakPolarHBondContact O-CG 3.1Å; V79-L83 PolarHBondContact O-N 2.69Å
80I96.6Very high94.5Very high31 Ų3151.7 Ų51.716%0.15927%0.265CS..Hα-helixtrans-60.1-47.9178-70.2167.8000110.7V59 P76 F82 L83 H84V59-I80 HydrophobicContact CG1-CG2 3.91Å; P76-I80 WeakPolarHBondContact O-CG1 3.4Å; P76-I80 PolarHBondContact O-N 2.86Å; I80-F82 VanDerWaalsContact C-N 3.34Å; I80-F82 PolarHBondContact O-N 2.94Å; I80-L83 PolarHBondContact O-N 3.31Å; I80-H84 PolarHBondContact O-CD2 3.19Å; I80-H84 PolarHBondContact O-N 3.26Å
81E94.8Very high94.4Very high95 Ų9555.2 Ų55.244%0.44428%0.281SS..Hα-helixtrans-60.4-43.1176.2174.857-157.300111.7L77 L83 H84 R85L77-E81 VanDerWaalsContact O-CB 3.31Å; L77-E81 WeakPolarHBondContact O-CB 3.41Å; L77-E81 PolarHBondContact O-N 2.82Å; E81-L83 VanDerWaalsContact C-N 3.32Å; E81-L83 PolarHBondContact O-N 3.42Å; E81-H84 PolarHBondContact O-N 3.47Å; E81-R85 WeakPolarHBondContact O-CB 3.37Å; E81-R85 PolarHBondContact O-N 2.48Å; E81-R85 IonicContact OE1-CZ 3.51Å; E81-R85 IonicContact OE1-NE 3.23Å; E81-R85 IonicContact OE1-NH2 2.87Å; E81-R85 PolarHBondContact OE1-NH2 3.49Å
82F96.6Very high94.3Very high9 Ų953.9 Ų53.94%0.03928%0.277CS..Hα-helixtrans-58.9-44175.2173.6-100.8000111.9I2 F78 V79 I80 R85 V86 M116 L117 P122 T125I2-F82 HydrophobicContact CD1-CB 4.45Å; I2-F82 HydrophobicContact CD1-CD1 3.54Å; I2-F82 HydrophobicContact CD1-CE1 4.04Å; I2-F82 HydrophobicContact CD1-CG 4.09Å; F78-F82 PolarHBondContact O-N 2.8Å; F78-F82 VanDerWaalsContact O-N 3.14Å; V79-F82 WeakPolarHBondContact O-CB 3.46Å; V79-F82 PolarHBondContact O-N 3.48Å; I80-F82 VanDerWaalsContact C-N 3.34Å; I80-F82 PolarHBondContact O-N 2.94Å; F82-R85 WeakPolarHBondContact O-CB 3.46Å; F82-R85 PolarHBondContact O-N 3.38Å; F82-R85 VanDerWaalsContact O-N 3.14Å; F82-V86 HydrophobicContact CD1-CG2 4.3Å; F82-V86 HydrophobicContact CE1-CG2 3.76Å; F82-V86 HydrophobicContact CE2-CG2 4.2Å; F82-V86 HydrophobicContact CZ-CG2 3.69Å; F82-V86 WeakPolarHBondContact O-CG2 3.31Å; F82-V86 PolarHBondContact O-N 3.26Å; F82-M116 HydrophobicContact CE2-CB 4.16Å; F82-M116 HydrophobicContact CE2-CE 4.34Å; F82-M116 HydrophobicContact CZ-CB 4.4Å; F82-L117 HydrophobicContact CD1-CD1 4.5Å; F82-L117 HydrophobicContact CD2-CD1 4.32Å; F82-L117 HydrophobicContact CE1-CD1 4.01Å; F82-L117 HydrophobicContact CE2-CB 4.24Å; F82-L117 HydrophobicContact CE2-CD1 3.8Å; F82-L117 HydrophobicContact CZ-CB 3.82Å; F82-L117 HydrophobicContact CZ-CD1 3.64Å; F82-L117 HydrophobicContact CZ-CD2 4.41Å; F82-L117 HydrophobicContact CZ-CG 4.18Å; F82-P122 HydrophobicContact CB-CG 4.37Å; F82-P122 HydrophobicContact CD2-CB 3.84Å; F82-P122 HydrophobicContact CD2-CG 3.67Å; F82-P122 HydrophobicContact CE2-CB 4.19Å; F82-P122 HydrophobicContact CE2-CG 4.25Å; F82-P122 HydrophobicContact CG-CG 4.13Å; F82-T125 HydrophobicContact CD2-CG2 4.41Å; F82-T125 HydrophobicContact CE2-CG2 4.45Å
83L97.7Very high94.3Very high0 Ų050.6 Ų50.60%026%0.256CS..Hα-helixtrans-63.4-43.2177.3-66.5172.4000111.8L5 L57 V59 F66 A68 V79 I80 E81 R85 V86 V87L5-L83 HydrophobicContact CD1-CD2 3.5Å; L57-L83 WeakPolarHBondContact O-CD1 3.24Å; V59-L83 HydrophobicContact CG1-CB 4.09Å; V59-L83 HydrophobicContact CG1-CD1 4.31Å; V59-L83 HydrophobicContact CG2-CB 3.62Å; V59-L83 HydrophobicContact CG2-CD1 4.38Å; F66-L83 HydrophobicContact CB-CD2 4.16Å; A68-L83 HydrophobicContact CB-CD1 4Å; A68-L83 HydrophobicContact CB-CD2 4.08Å; A68-L83 HydrophobicContact CB-CG 4.36Å; V79-L83 HydrophobicContact CG1-CD1 4.31Å; V79-L83 HydrophobicContact CG1-CG 4.49Å; V79-L83 VanDerWaalsContact O-CG 3.32Å; V79-L83 WeakPolarHBondContact O-CG 3.1Å; V79-L83 PolarHBondContact O-N 2.69Å; I80-L83 PolarHBondContact O-N 3.31Å; E81-L83 VanDerWaalsContact C-N 3.32Å; E81-L83 PolarHBondContact O-N 3.42Å; L83-R85 PolarHBondContact O-N 3.17Å; L83-V86 WeakPolarHBondContact O-CB 3.39Å; L83-V86 PolarHBondContact O-N 3.33Å; L83-V87 WeakPolarHBondContact O-CG2 3.43Å; L83-V87 PolarHBondContact O-N 2.88Å; L83-V87 VanDerWaalsContact O-N 3.1Å
84H96.1Very high94.6Very high62 Ų6244.1 Ų44.129%0.28723%0.225SC..Hα-helixtrans-56.4-41.8172.5-81.1-74.9000111.6R61 I80 E81 V87 D88R61-H84 WeakPolarHBondContact CD-ND1 3.14Å; R61-H84 PolarHBondContact NH1-O 2.99Å; I80-H84 PolarHBondContact O-CD2 3.19Å; I80-H84 PolarHBondContact O-N 3.26Å; E81-H84 PolarHBondContact O-N 3.47Å; H84-V87 WeakPolarHBondContact O-CB 3.38Å; H84-V87 PolarHBondContact O-N 3.29Å; H84-D88 PolarHBondContact O-N 2.99Å
85R95.1Very high94.6Very high65 Ų6545.6 Ų45.625%0.24524%0.244CC..Hα-helixtrans-66.3-35.5178.3-161.862.563105.73.8113.4E81 F82 L83 D88 T89 M116E81-R85 WeakPolarHBondContact O-CB 3.37Å; E81-R85 PolarHBondContact O-N 2.48Å; E81-R85 IonicContact OE1-CZ 3.51Å; E81-R85 IonicContact OE1-NE 3.23Å; E81-R85 IonicContact OE1-NH2 2.87Å; E81-R85 PolarHBondContact OE1-NH2 3.49Å; F82-R85 WeakPolarHBondContact O-CB 3.46Å; F82-R85 PolarHBondContact O-N 3.38Å; F82-R85 VanDerWaalsContact O-N 3.14Å; L83-R85 PolarHBondContact O-N 3.17Å; R85-D88 PolarHBondContact O-N 3.1Å; R85-T89 WeakPolarHBondContact O-CB 3.27Å; R85-T89 PolarHBondContact O-N 3.37Å; R85-T89 PolarHBondContact O-OG1 3.05Å; R85-M116 HydrophobicContact CB-CE 4.43Å; R85-M116 HydrophobicContact CG-CE 4.16Å
86V97Very high94.4Very high0 Ų045.2 Ų45.20%024%0.24CC..Hα-helixtrans-61.1-47.6171.4170.40000110.3L5 F66 F82 L83 D88 T89 F90 L113 M116L5-V86 HydrophobicContact CD2-CG1 4.43Å; F66-V86 HydrophobicContact CD1-CG1 4.27Å; F66-V86 HydrophobicContact CE1-CG1 4.13Å; F82-V86 HydrophobicContact CD1-CG2 4.3Å; F82-V86 HydrophobicContact CE1-CG2 3.76Å; F82-V86 HydrophobicContact CE2-CG2 4.2Å; F82-V86 HydrophobicContact CZ-CG2 3.69Å; F82-V86 WeakPolarHBondContact O-CG2 3.31Å; F82-V86 PolarHBondContact O-N 3.26Å; L83-V86 WeakPolarHBondContact O-CB 3.39Å; L83-V86 PolarHBondContact O-N 3.33Å; V86-D88 PolarHBondContact O-N 2.9Å; V86-T89 PolarHBondContact O-N 2.88Å; V86-F90 HydrophobicContact CG1-CD1 4.47Å; V86-F90 HydrophobicContact CG1-CD2 4.42Å; V86-F90 HydrophobicContact CG1-CE1 4Å; V86-F90 HydrophobicContact CG1-CE2 3.95Å; V86-F90 HydrophobicContact CG1-CZ 3.7Å; V86-F90 WeakPolarHBondContact O-CG 3.31Å; V86-F90 PolarHBondContact O-N 2.87Å; V86-L113 HydrophobicContact CG1-CD2 3.76Å; V86-L113 HydrophobicContact CG2-CD2 4.1Å; V86-M116 HydrophobicContact CB-CE 4.47Å; V86-M116 HydrophobicContact CG2-CE 3.81Å; V86-M116 HydrophobicContact CG2-SD 4.18Å
87V96.9Very high94.4Very high0 Ų042.5 Ų42.50%022%0.222CC..Hα-helixtrans-59.6-46.5177.7-175.90000111.5R61 H62 F66 L83 H84 T89 F90 Q91 C97R61-V87 HydrophobicContact CB-CG1 3.94Å; R61-V87 HydrophobicContact CB-CG2 4.35Å; H62-V87 WeakPolarHBondContact ND1-CG1 3.29Å; F66-V87 HydrophobicContact CD1-CG2 4.13Å; F66-V87 HydrophobicContact CD2-CG2 3.66Å; F66-V87 HydrophobicContact CE1-CG2 3.94Å; F66-V87 HydrophobicContact CE2-CG2 3.48Å; F66-V87 VanDerWaalsContact CE2-CG2 3.48Å; F66-V87 HydrophobicContact CG-CG2 4.01Å; F66-V87 HydrophobicContact CZ-CB 4.48Å; F66-V87 HydrophobicContact CZ-CG2 3.63Å; L83-V87 WeakPolarHBondContact O-CG2 3.43Å; L83-V87 PolarHBondContact O-N 2.88Å; L83-V87 VanDerWaalsContact O-N 3.1Å; H84-V87 WeakPolarHBondContact O-CB 3.38Å; H84-V87 PolarHBondContact O-N 3.29Å; V87-T89 VanDerWaalsContact C-N 3.32Å; V87-T89 PolarHBondContact O-N 2.98Å; V87-F90 PolarHBondContact O-N 2.93Å; V87-Q91 PolarHBondContact O-N 2.81Å; V87-C97 HydrophobicContact CG1-CB 4.48Å
88D93.7Very high94.5Very high68 Ų6837.5 Ų37.536%0.36420%0.199SC..Hα-helixtrans-64.8-38179.9-67.3-25.3000111.7R61 H84 R85 V86 Q91 D92R61-D88 IonicContact CZ-OD1 3.61Å; R61-D88 VanDerWaalsContact CZ-OD1 3.23Å; R61-D88 IonicContact NH1-OD1 2.77Å; R61-D88 PolarHBondContact NH1-OD1 2.98Å; R61-D88 IonicContact NH1-OD2 2.7Å; R61-D88 IonicContact NH2-OD1 2.75Å; R61-D88 PolarHBondContact NH2-OD1 3.11Å; H84-D88 PolarHBondContact O-N 2.99Å; R85-D88 PolarHBondContact O-N 3.1Å; V86-D88 PolarHBondContact O-N 2.9Å; D88-Q91 PolarHBondContact O-N 2.69Å; D88-D92 WeakPolarHBondContact O-CB 3.23Å; D88-D92 PolarHBondContact O-N 3.18Å
89T94.3Very high94.6Very high3 Ų335.7 Ų35.72%0.01819%0.192CC..Hα-helixtrans-63.8-44.2175.4-580000111.2R85 V86 V87 Q91 D92 Y93 V112 M116 L130R85-T89 WeakPolarHBondContact O-CB 3.27Å; R85-T89 PolarHBondContact O-N 3.37Å; R85-T89 PolarHBondContact O-OG1 3.05Å; V86-T89 PolarHBondContact O-N 2.88Å; V87-T89 VanDerWaalsContact C-N 3.32Å; V87-T89 PolarHBondContact O-N 2.98Å; T89-Q91 VanDerWaalsContact C-N 3.33Å; T89-Q91 PolarHBondContact O-N 3.45Å; T89-D92 PolarHBondContact O-N 3.25Å; T89-Y93 HydrophobicContact CG2-CD2 3.83Å; T89-Y93 HydrophobicContact CG2-CE2 3.87Å; T89-Y93 WeakPolarHBondContact O-CB 3.48Å; T89-Y93 VanDerWaalsContact O-CD2 3.3Å; T89-Y93 WeakPolarHBondContact O-CD2 3.2Å; T89-Y93 PolarHBondContact O-N 3.2Å; T89-V112 HydrophobicContact CG2-CG1 3.65Å; T89-M116 HydrophobicContact CG2-SD 3.98Å; T89-L130 HydrophobicContact CG2-CD1 3.79Å
90F95.4Very high94.6Very high0 Ų039.5 Ų39.50%022%0.216CC..Hα-helixtrans-62.6-41.9176.3-72.21.7000111.8L7 F66 V86 V87 D92 Y93 F94 I102 V109 V112 L113L7-F90 HydrophobicContact CD2-CE2 4.15Å; F66-F90 HydrophobicContact CE1-CD2 4.17Å; F66-F90 HydrophobicContact CE1-CE2 4.02Å; F66-F90 HydrophobicContact CZ-CD2 4.44Å; V86-F90 HydrophobicContact CG1-CD1 4.47Å; V86-F90 HydrophobicContact CG1-CD2 4.42Å; V86-F90 HydrophobicContact CG1-CE1 4Å; V86-F90 HydrophobicContact CG1-CE2 3.95Å; V86-F90 HydrophobicContact CG1-CZ 3.7Å; V86-F90 WeakPolarHBondContact O-CG 3.31Å; V86-F90 PolarHBondContact O-N 2.87Å; V87-F90 PolarHBondContact O-N 2.93Å; F90-D92 VanDerWaalsContact C-N 3.3Å; F90-D92 PolarHBondContact O-N 2.91Å; F90-Y93 PolarHBondContact O-N 3.12Å; F90-F94 HydrophobicContact CB-CD2 4.03Å; F90-F94 HydrophobicContact CB-CE2 4.19Å; F90-F94 AromaticContact CD1-CE2 3.98Å; F90-F94 HydrophobicContact CD1-CE2 3.98Å; F90-F94 HydrophobicContact CG-CD2 4.45Å; F90-F94 HydrophobicContact CG-CE2 4.14Å; F90-F94 WeakPolarHBondContact O-CB 3.5Å; F90-F94 WeakPolarHBondContact O-CD2 3.15Å; F90-F94 PolarHBondContact O-N 3.08Å; F90-I102 HydrophobicContact CD2-CD1 4.01Å; F90-I102 HydrophobicContact CD2-CG1 4.23Å; F90-I102 HydrophobicContact CE2-CD1 4.37Å; F90-V109 HydrophobicContact CE1-CG1 4.1Å; F90-V109 HydrophobicContact CE2-CG1 4.12Å; F90-V109 HydrophobicContact CZ-CG1 3.55Å; F90-V112 HydrophobicContact CE1-CG1 4.47Å; F90-L113 HydrophobicContact CE1-CD2 4.25Å; F90-L113 HydrophobicContact CE1-CG 4.28Å; F90-L113 HydrophobicContact CZ-CD1 4.15Å; F90-L113 HydrophobicContact CZ-CD2 3.93Å; F90-L113 HydrophobicContact CZ-CG 3.97Å
91Q93.1Very high94.5Very high78 Ų7839.8 Ų39.836%0.36422%0.22SC..Hα-helixtrans-62.5-39.4175.3-171.3174.5-19.500111.7H62 V87 D88 T89 G95H62-Q91 PolarHBondContact CE1-OE1 3.06Å; H62-Q91 VanDerWaalsContact CE1-OE1 3.28Å; H62-Q91 PolarHBondContact NE2-OE1 3.02Å; V87-Q91 PolarHBondContact O-N 2.81Å; D88-Q91 PolarHBondContact O-N 2.69Å; T89-Q91 VanDerWaalsContact C-N 3.33Å; T89-Q91 PolarHBondContact O-N 3.45Å; Q91-G95 CarbonylContact O-C 3.58Å; Q91-G95 WeakPolarHBondContact O-CA 3.4Å; Q91-G95 PolarHBondContact O-N 2.88Å
92D89.7Confident94.6Very high77 Ų7735.3 Ų35.341%0.41220%0.198SC..Hα-helixtrans-76.4-22.8-179.7-167.727.9000113.9D88 T89 F90 S127 K131D88-D92 WeakPolarHBondContact O-CB 3.23Å; D88-D92 PolarHBondContact O-N 3.18Å; T89-D92 PolarHBondContact O-N 3.25Å; F90-D92 VanDerWaalsContact C-N 3.3Å; F90-D92 PolarHBondContact O-N 2.91Å; D92-S127 WeakPolarHBondContact OD2-CB 3.49Å; D92-S127 PolarHBondContact OD2-OG 2.74Å; D92-K131 WeakPolarHBondContact O-CE 3.41Å; D92-K131 PolarHBondContact O-NZ 3.32Å; D92-K131 IonicContact OD1-NZ 3.53Å; D92-K131 PolarHBondContact OD1-NZ 2.92Å; D92-K131 VanDerWaalsContact OD2-CE 3.22Å; D92-K131 WeakPolarHBondContact OD2-CE 3.36Å; D92-K131 IonicContact OD2-NZ 3.31Å; D92-K131 PolarHBondContact OD2-NZ 2.68Å
93Y91.9Very high94.6Very high12 Ų1239.6 Ų39.65%0.04722%0.217CC..Hα-helixtrans-83.8-42.4174-93.9-112.1000113.2T89 F90 V108 V112 L130 K131 I134 P136T89-Y93 HydrophobicContact CG2-CD2 3.83Å; T89-Y93 HydrophobicContact CG2-CE2 3.87Å; T89-Y93 WeakPolarHBondContact O-CB 3.48Å; T89-Y93 VanDerWaalsContact O-CD2 3.3Å; T89-Y93 WeakPolarHBondContact O-CD2 3.2Å; T89-Y93 PolarHBondContact O-N 3.2Å; F90-Y93 PolarHBondContact O-N 3.12Å; Y93-V108 HydrophobicContact CD1-CG1 4.05Å; Y93-V108 HydrophobicContact CE1-CG1 4.24Å; Y93-V112 HydrophobicContact CD1-CG2 4.07Å; Y93-V112 HydrophobicContact CE1-CG2 3.6Å; Y93-V112 HydrophobicContact CE2-CG2 4.46Å; Y93-L130 HydrophobicContact CE2-CB 4.22Å; Y93-L130 WeakPolarHBondContact OH-CB 3.37Å; Y93-L130 PolarHBondContact OH-O 2.84Å; Y93-K131 HydrophobicContact CD2-CG 4.36Å; Y93-K131 HydrophobicContact CE2-CG 3.62Å; Y93-K131 VanDerWaalsContact OH-CA 3.31Å; Y93-K131 WeakPolarHBondContact OH-CA 3.07Å; Y93-K131 PolarHBondContact OH-N 2.92Å; Y93-I134 HydrophobicContact CE1-CG2 4.35Å; Y93-I134 WeakPolarHBondContact CE1-O 3.35Å; Y93-I134 VanDerWaalsContact CZ-O 3.31Å; Y93-I134 PolarHBondContact OH-O 3.23Å; Y93-P136 HydrophobicContact CD1-CB 4.14Å; Y93-P136 HydrophobicContact CD1-CG 4.04Å; Y93-P136 HydrophobicContact CE1-CG 4.06Å; Y93-P136 HydrophobicContact CG-CG 4.4Å
94F92.2Very high94.4Very high31 Ų3146 Ų4614%0.13625%0.251CS..Hα-helixtrans-115.4-2.5-167.1-45.4-61.5000113.4F90 V96 V101 N105 V108 V109 P137F90-F94 HydrophobicContact CB-CD2 4.03Å; F90-F94 HydrophobicContact CB-CE2 4.19Å; F90-F94 AromaticContact CD1-CE2 3.98Å; F90-F94 HydrophobicContact CD1-CE2 3.98Å; F90-F94 HydrophobicContact CG-CD2 4.45Å; F90-F94 HydrophobicContact CG-CE2 4.14Å; F90-F94 WeakPolarHBondContact O-CB 3.5Å; F90-F94 WeakPolarHBondContact O-CD2 3.15Å; F90-F94 PolarHBondContact O-N 3.08Å; F94-V96 PolarHBondContact O-N 2.92Å; F94-V101 HydrophobicContact CB-CG1 3.45Å; F94-V101 VanDerWaalsContact CB-CG1 3.45Å; F94-V101 HydrophobicContact CG-CG1 4.16Å; F94-N105 HydrophobicContact CD1-CB 3.89Å; F94-N105 HydrophobicContact CE1-CB 3.54Å; F94-N105 HydrophobicContact CZ-CB 4.08Å; F94-V108 HydrophobicContact CE1-CB 4.25Å; F94-V108 HydrophobicContact CE1-CG1 4.04Å; F94-V108 HydrophobicContact CZ-CB 4.33Å; F94-V108 HydrophobicContact CZ-CG1 4.06Å; F94-V109 HydrophobicContact CE2-CG2 3.65Å; F94-V109 HydrophobicContact CZ-CG2 3.63Å; F94-P137 HydrophobicContact CD1-CG 3.82Å; F94-P137 HydrophobicContact CE1-CG 3.72Å
95G90.4Very high94.4Very high51 Ų5145 Ų4553%0.52625%0.248SC..SBendtrans79.9-45-178.700000113.7Q91Q91-G95 CarbonylContact O-C 3.58Å; Q91-G95 WeakPolarHBondContact O-CA 3.4Å; Q91-G95 PolarHBondContact O-N 2.88Å
96V91.6Very high94.4Very high86 Ų8644.6 Ų44.652%0.52125%0.253SS..SBendtrans-127.5131.6177.1-178.20000109.6F94 S98 V101F94-V96 PolarHBondContact O-N 2.92Å; V96-S98 PolarHBondContact O-N 2.86Å; V96-V101 WeakPolarHBondContact O-CG1 3.41Å
97C94.6Very high94.2Very high3 Ų349.1 Ų49.12%0.0228%0.28CS..  trans-88.791.6172.2-177.30000109.6H62 V87H62-C97 HydrophobicContact CB-CB 4.36Å; H62-C97 WeakPolarHBondContact CB-O 3.4Å; V87-C97 HydrophobicContact CG1-CB 4.48Å
98S96.3Very high94.1Very high32 Ų3249.4 Ų49.422%0.22428%0.282CS..  trans-137.4157.5177.469.20000111.7V96 V101 I102V96-S98 PolarHBondContact O-N 2.86Å; S98-V101 PolarHBondContact O-N 3.36Å; S98-V101 VanDerWaalsContact OG-CG2 3.32Å; S98-V101 WeakPolarHBondContact OG-CG2 3.49Å; S98-I102 WeakPolarHBondContact O-CB 3.26Å; S98-I102 VanDerWaalsContact O-CG1 3.29Å; S98-I102 WeakPolarHBondContact O-CG1 3.47Å; S98-I102 PolarHBondContact O-N 2.97Å
99E96.1Very high94.2Very high47 Ų4746.1 Ų46.122%0.2226%0.264CS..Hα-helixtrans-54.6-47.6-179.2173.6-178174.500113.3N9 F15 V101 I102 K103N9-E99 WeakPolarHBondContact CB-OE2 3.4Å; N9-E99 PolarHBondContact ND2-OE2 2.92Å; F15-E99 HydrophobicContact CD1-CG 4.1Å; F15-E99 HydrophobicContact CD2-CG 3.93Å; F15-E99 HydrophobicContact CE1-CB 4.23Å; F15-E99 HydrophobicContact CE1-CG 4.24Å; F15-E99 HydrophobicContact CE2-CB 4.29Å; F15-E99 HydrophobicContact CE2-CG 4.08Å; F15-E99 HydrophobicContact CG-CG 3.93Å; F15-E99 HydrophobicContact CZ-CB 4.08Å; F15-E99 HydrophobicContact CZ-CG 4.22Å; E99-V101 PolarHBondContact O-N 2.8Å; E99-I102 PolarHBondContact O-N 2.81Å; E99-K103 HydrophobicContact CG-CD 4.06Å; E99-K103 WeakPolarHBondContact O-CB 3.33Å; E99-K103 WeakPolarHBondContact O-CG 3.45Å; E99-K103 PolarHBondContact O-N 2.91Å; E99-K103 WeakPolarHBondContact OE1-CE 3.44Å; E99-K103 IonicContact OE1-NZ 3.96Å; E99-K103 PolarHBondContact OE1-NZ 2.86Å
100P96.4Very high94.3Very high80 Ų8050 Ų5052%0.51928%0.279SS..Hα-helixtrans-60.4-45.5178-23.834.5000112.4I102 K103 D104P100-I102 VanDerWaalsContact C-N 3.35Å; P100-I102 PolarHBondContact O-N 2.92Å; P100-K103 PolarHBondContact O-N 2.98Å; P100-D104 WeakPolarHBondContact O-CB 3.37Å; P100-D104 PolarHBondContact O-N 3.14Å
101V95.6Very high94.3Very high37 Ų3752.1 Ų52.122%0.22429%0.289CS..Hα-helixtrans-65.5-39.6-178.1174.60000111.4F94 V96 S98 E99 N105F94-V101 HydrophobicContact CB-CG1 3.45Å; F94-V101 VanDerWaalsContact CB-CG1 3.45Å; F94-V101 HydrophobicContact CG-CG1 4.16Å; V96-V101 WeakPolarHBondContact O-CG1 3.41Å; S98-V101 PolarHBondContact O-N 3.36Å; S98-V101 VanDerWaalsContact OG-CG2 3.32Å; S98-V101 WeakPolarHBondContact OG-CG2 3.49Å; E99-V101 PolarHBondContact O-N 2.8Å; V101-N105 PolarHBondContact O-N 3.4Å; V101-N105 PolarHBondContact O-ND2 2.82Å
102I96.4Very high94.4Very high0 Ų048.4 Ų48.40%027%0.272CS..Hα-helixtrans-66.1-43.7176.7-69.1167.3000110.5L7 F15 L16 I64 F90 S98 E99 P100 N105 V106 V109L7-I102 HydrophobicContact CD2-CD1 3.99Å; L7-I102 HydrophobicContact CD2-CG2 4.31Å; F15-I102 HydrophobicContact CE2-CB 4.2Å; F15-I102 HydrophobicContact CE2-CD1 4.41Å; F15-I102 HydrophobicContact CE2-CG2 3.86Å; F15-I102 HydrophobicContact CZ-CD1 4.33Å; L16-I102 HydrophobicContact CD1-CG2 3.85Å; I64-I102 HydrophobicContact CD1-CD1 4.06Å; F90-I102 HydrophobicContact CD2-CD1 4.01Å; F90-I102 HydrophobicContact CD2-CG1 4.23Å; F90-I102 HydrophobicContact CE2-CD1 4.37Å; S98-I102 WeakPolarHBondContact O-CB 3.26Å; S98-I102 VanDerWaalsContact O-CG1 3.29Å; S98-I102 WeakPolarHBondContact O-CG1 3.47Å; S98-I102 PolarHBondContact O-N 2.97Å; E99-I102 PolarHBondContact O-N 2.81Å; P100-I102 VanDerWaalsContact C-N 3.35Å; P100-I102 PolarHBondContact O-N 2.92Å; I102-N105 CarbonylContact O-C 3.42Å; I102-N105 PolarHBondContact O-N 3.5Å; I102-V106 WeakPolarHBondContact O-CA 3.12Å; I102-V106 PolarHBondContact O-N 3.39Å; I102-V106 VanDerWaalsContact O-N 3.08Å; I102-V109 HydrophobicContact CG2-CG1 4.38Å; I102-V109 HydrophobicContact CG2-CG2 4.14Å
103K95.8Very high94.7Very high100 Ų10044.8 Ų44.844%0.43525%0.252SS..Hα-helixtrans-63.2-43.6176.8-77.3179.7171.9174.70112.2F15 E99 P100 N105 V106F15-K103 HydrophobicContact CD2-CG 4.32Å; E99-K103 HydrophobicContact CG-CD 4.06Å; E99-K103 WeakPolarHBondContact O-CB 3.33Å; E99-K103 WeakPolarHBondContact O-CG 3.45Å; E99-K103 PolarHBondContact O-N 2.91Å; E99-K103 WeakPolarHBondContact OE1-CE 3.44Å; E99-K103 IonicContact OE1-NZ 3.96Å; E99-K103 PolarHBondContact OE1-NZ 2.86Å; P100-K103 PolarHBondContact O-N 2.98Å; K103-N105 PolarHBondContact O-N 3.41Å; K103-V106 WeakPolarHBondContact O-CB 3.31Å; K103-V106 PolarHBondContact O-N 2.63Å
104D94.4Very high94.8Very high134 Ų13449 Ų4972%0.71727%0.273SS*.Hα-helixtrans-64.6-25.1179.1-70.4-13.7000112.4P100P100-D104 WeakPolarHBondContact O-CB 3.37Å; P100-D104 PolarHBondContact O-N 3.14Å
105N94.8Very high94.9Very high41 Ų4149.9 Ų49.922%0.21928%0.277CS..THydrogen-bonded Turntrans-114.724.5-178.8-62.9-82.9000113.2F94 V101 I102 K103 V107 V108 V109 P137F94-N105 HydrophobicContact CD1-CB 3.89Å; F94-N105 HydrophobicContact CE1-CB 3.54Å; F94-N105 HydrophobicContact CZ-CB 4.08Å; V101-N105 PolarHBondContact O-N 3.4Å; V101-N105 PolarHBondContact O-ND2 2.82Å; I102-N105 CarbonylContact O-C 3.42Å; I102-N105 PolarHBondContact O-N 3.5Å; K103-N105 PolarHBondContact O-N 3.41Å; N105-V107 PolarHBondContact O-N 3.29Å; N105-V108 PolarHBondContact O-N 3.42Å; N105-V109 WeakPolarHBondContact O-CG2 3.42Å; N105-V109 PolarHBondContact O-N 3.35Å; N105-P137 VanDerWaalsContact OD1-CG 3.25Å; N105-P137 WeakPolarHBondContact OD1-CG 3.47Å
106V95.3Very high95.1Very high56 Ų5647.5 Ų47.534%0.33925%0.252SS..Hα-helixtrans-54.3-35.4-169.369.20000114L16 I102 K103 V109 Y110L16-V106 HydrophobicContact CD1-CG2 4.26Å; I102-V106 WeakPolarHBondContact O-CA 3.12Å; I102-V106 PolarHBondContact O-N 3.39Å; I102-V106 VanDerWaalsContact O-N 3.08Å; K103-V106 WeakPolarHBondContact O-CB 3.31Å; K103-V106 PolarHBondContact O-N 2.63Å; V106-V109 WeakPolarHBondContact O-CB 3.39Å; V106-V109 PolarHBondContact O-N 3.22Å; V106-Y110 HydrophobicContact CG2-CD2 3.74Å; V106-Y110 HydrophobicContact CG2-CE2 3.44Å; V106-Y110 VanDerWaalsContact CG2-CE2 3.44Å; V106-Y110 WeakPolarHBondContact O-CD2 3.33Å; V106-Y110 PolarHBondContact O-N 3.34Å
107V93.8Very high95.3Very high96 Ų9643.4 Ų43.458%0.58223%0.227SC*.Hα-helixtrans-62.6-51.6177.8178.10000110.8N105 V109 Y110 E111N105-V107 PolarHBondContact O-N 3.29Å; V107-V109 VanDerWaalsContact C-N 3.28Å; V107-V109 PolarHBondContact O-N 3.42Å; V107-Y110 PolarHBondContact O-N 2.89Å; V107-E111 WeakPolarHBondContact O-CG 3.28Å; V107-E111 PolarHBondContact O-N 2.89Å
108V93.9Very high95.1Very high5 Ų548 Ų483%0.0325%0.252CS..Hα-helixtrans-65.7-35.9178.9-179.60000110.8Y93 F94 N105 Y110 E111 V112 I134 P137 N152Y93-V108 HydrophobicContact CD1-CG1 4.05Å; Y93-V108 HydrophobicContact CE1-CG1 4.24Å; F94-V108 HydrophobicContact CE1-CB 4.25Å; F94-V108 HydrophobicContact CE1-CG1 4.04Å; F94-V108 HydrophobicContact CZ-CB 4.33Å; F94-V108 HydrophobicContact CZ-CG1 4.06Å; N105-V108 PolarHBondContact O-N 3.42Å; V108-Y110 VanDerWaalsContact C-N 3.34Å; V108-Y110 PolarHBondContact O-N 2.84Å; V108-E111 PolarHBondContact O-N 2.75Å; V108-V112 HydrophobicContact CG1-CG2 4.1Å; V108-V112 WeakPolarHBondContact O-CB 3.36Å; V108-V112 VanDerWaalsContact O-CG2 3.26Å; V108-V112 WeakPolarHBondContact O-CG2 3.4Å; V108-V112 PolarHBondContact O-N 2.84Å; V108-I134 HydrophobicContact CG1-CG2 3.95Å; V108-P137 HydrophobicContact CG2-CG 4.45Å; V108-N152 HydrophobicContact CG2-CB 4.43Å; V108-N152 WeakPolarHBondContact CG2-ND2 3.4Å
109V96.5Very high94.7Very high0 Ų050.4 Ų50.40%026%0.262CS..Hα-helixtrans-58.1-47.6174.4168.50000110.8L16 F90 F94 I102 N105 V106 V107 V112 L113L16-V109 HydrophobicContact CD1-CG1 3.66Å; F90-V109 HydrophobicContact CE1-CG1 4.1Å; F90-V109 HydrophobicContact CE2-CG1 4.12Å; F90-V109 HydrophobicContact CZ-CG1 3.55Å; F94-V109 HydrophobicContact CE2-CG2 3.65Å; F94-V109 HydrophobicContact CZ-CG2 3.63Å; I102-V109 HydrophobicContact CG2-CG1 4.38Å; I102-V109 HydrophobicContact CG2-CG2 4.14Å; N105-V109 WeakPolarHBondContact O-CG2 3.42Å; N105-V109 PolarHBondContact O-N 3.35Å; V106-V109 WeakPolarHBondContact O-CB 3.39Å; V106-V109 PolarHBondContact O-N 3.22Å; V107-V109 VanDerWaalsContact C-N 3.28Å; V107-V109 PolarHBondContact O-N 3.42Å; V109-V112 PolarHBondContact O-N 3.48Å; V109-L113 HydrophobicContact CG1-CD1 3.95Å; V109-L113 HydrophobicContact CG1-CG 4.44Å; V109-L113 WeakPolarHBondContact O-CB 3.41Å; V109-L113 VanDerWaalsContact O-CG 3.25Å; V109-L113 WeakPolarHBondContact O-CG 3.42Å; V109-L113 PolarHBondContact O-N 2.89Å
110Y96.6Very high94.3Very high84 Ų8448.1 Ų48.133%0.32925%0.252SS..Hα-helixtrans-65.6-42.3176.9-80.9-62.5000112.9E17 K18 V106 V107 V108 V112 L113 E114E17-Y110 WeakPolarHBondContact O-CE1 3.19Å; E17-Y110 PolarHBondContact O-OH 3.14Å; K18-Y110 HydrophobicContact CB-CD1 4.4Å; K18-Y110 HydrophobicContact CB-CE1 4.05Å; K18-Y110 HydrophobicContact CD-CD1 3.83Å; K18-Y110 HydrophobicContact CD-CE1 3.97Å; K18-Y110 HydrophobicContact CG-CD1 4.42Å; K18-Y110 HydrophobicContact CG-CE1 4.47Å; V106-Y110 HydrophobicContact CG2-CD2 3.74Å; V106-Y110 HydrophobicContact CG2-CE2 3.44Å; V106-Y110 VanDerWaalsContact CG2-CE2 3.44Å; V106-Y110 WeakPolarHBondContact O-CD2 3.33Å; V106-Y110 PolarHBondContact O-N 3.34Å; V107-Y110 PolarHBondContact O-N 2.89Å; V108-Y110 VanDerWaalsContact C-N 3.34Å; V108-Y110 PolarHBondContact O-N 2.84Å; Y110-V112 VanDerWaalsContact C-N 3.34Å; Y110-V112 PolarHBondContact O-N 3.47Å; Y110-L113 PolarHBondContact O-N 3.14Å; Y110-E114 WeakPolarHBondContact O-CB 3.39Å; Y110-E114 PolarHBondContact O-N 3.22Å
111E94.8Very high94.1Very high45 Ų4549.6 Ų49.621%0.2125%0.25CC..Hα-helixtrans-56.7-48.4174.8-70173160.200110.7V107 V108 E114 E115 I134V107-E111 WeakPolarHBondContact O-CG 3.28Å; V107-E111 PolarHBondContact O-N 2.89Å; V108-E111 PolarHBondContact O-N 2.75Å; E111-E114 PolarHBondContact O-N 3.05Å; E111-E115 PolarHBondContact O-N 2.94Å; E111-E115 VanDerWaalsContact O-N 3.08Å; E111-I134 HydrophobicContact CB-CD1 3.91Å; E111-I134 HydrophobicContact CB-CG1 4.22Å; E111-I134 HydrophobicContact CB-CG2 3.99Å; E111-I134 WeakPolarHBondContact O-CD1 3.09Å
112V95.4Very high93.9Very high0 Ų049.8 Ų49.80%025%0.252CS..Hα-helixtrans-64.5-44.8-179.6169.30000111.1T89 F90 Y93 V108 V109 Y110 E114 E115 M116 I134T89-V112 HydrophobicContact CG2-CG1 3.65Å; F90-V112 HydrophobicContact CE1-CG1 4.47Å; Y93-V112 HydrophobicContact CD1-CG2 4.07Å; Y93-V112 HydrophobicContact CE1-CG2 3.6Å; Y93-V112 HydrophobicContact CE2-CG2 4.46Å; V108-V112 HydrophobicContact CG1-CG2 4.1Å; V108-V112 WeakPolarHBondContact O-CB 3.36Å; V108-V112 VanDerWaalsContact O-CG2 3.26Å; V108-V112 WeakPolarHBondContact O-CG2 3.4Å; V108-V112 PolarHBondContact O-N 2.84Å; V109-V112 PolarHBondContact O-N 3.48Å; Y110-V112 VanDerWaalsContact C-N 3.34Å; Y110-V112 PolarHBondContact O-N 3.47Å; V112-E114 VanDerWaalsContact C-N 3.29Å; V112-E114 PolarHBondContact O-N 3.35Å; V112-E115 PolarHBondContact O-N 2.89Å; V112-M116 HydrophobicContact CG1-CG 4.13Å; V112-M116 HydrophobicContact CG1-SD 3.72Å; V112-M116 WeakPolarHBondContact O-CB 3.17Å; V112-M116 WeakPolarHBondContact O-CG 3.38Å; V112-M116 PolarHBondContact O-N 2.82Å; V112-I134 HydrophobicContact CG2-CB 4.33Å; V112-I134 HydrophobicContact CG2-CD1 4.15Å; V112-I134 HydrophobicContact CG2-CG2 3.95Å
113L96.6Very high93.5Very high0 Ų054.7 Ų54.70%028%0.278CS..Hα-helixtrans-63.6-33.7177.9-75.5177.9000112.9L5 L16 K18 W20 V86 F90 V109 Y110 L117L5-L113 HydrophobicContact CD2-CD1 4.29Å; L5-L113 HydrophobicContact CD2-CD2 3.87Å; L16-L113 HydrophobicContact CD2-CD1 4.25Å; K18-L113 HydrophobicContact CB-CD1 4.23Å; W20-L113 HydrophobicContact CZ2-CB 3.99Å; W20-L113 HydrophobicContact CZ2-CD2 4.42Å; W20-L113 WeakPolarHBondContact CZ2-O 3.37Å; W20-L113 PolarHBondContact NE1-O 3.02Å; V86-L113 HydrophobicContact CG1-CD2 3.76Å; V86-L113 HydrophobicContact CG2-CD2 4.1Å; F90-L113 HydrophobicContact CE1-CD2 4.25Å; F90-L113 HydrophobicContact CE1-CG 4.28Å; F90-L113 HydrophobicContact CZ-CD1 4.15Å; F90-L113 HydrophobicContact CZ-CD2 3.93Å; F90-L113 HydrophobicContact CZ-CG 3.97Å; V109-L113 HydrophobicContact CG1-CD1 3.95Å; V109-L113 HydrophobicContact CG1-CG 4.44Å; V109-L113 WeakPolarHBondContact O-CB 3.41Å; V109-L113 VanDerWaalsContact O-CG 3.25Å; V109-L113 WeakPolarHBondContact O-CG 3.42Å; V109-L113 PolarHBondContact O-N 2.89Å; Y110-L113 PolarHBondContact O-N 3.14Å; L113-L117 PolarHBondContact O-N 2.9Å
114E94.4Very high93Very high101 Ų10150.4 Ų50.447%0.47226%0.261SS..Hα-helixtrans-66.9-45.1174.4-166.167.6-167.300111.1K18 Y110 E111 V112 L117K18-E114 WeakPolarHBondContact CE-OE2 3.29Å; K18-E114 IonicContact NZ-OE2 3.48Å; K18-E114 PolarHBondContact NZ-OE2 3.29Å; Y110-E114 WeakPolarHBondContact O-CB 3.39Å; Y110-E114 PolarHBondContact O-N 3.22Å; E111-E114 PolarHBondContact O-N 3.05Å; V112-E114 VanDerWaalsContact C-N 3.29Å; V112-E114 PolarHBondContact O-N 3.35Å; E114-L117 CarbonylContact O-C 3.57Å; E114-L117 PolarHBondContact O-N 2.83Å
115E93.4Very high92.8Very high50 Ų5045.7 Ų45.723%0.23424%0.237CC..Hα-helixtrans-71.8-32.2-179.5-172.856.8-146.300112.9E111 V112 L117 A124 L130 L133 I134E111-E115 PolarHBondContact O-N 2.94Å; E111-E115 VanDerWaalsContact O-N 3.08Å; V112-E115 PolarHBondContact O-N 2.89Å; E115-L117 VanDerWaalsContact C-N 3.3Å; E115-L117 PolarHBondContact O-N 2.85Å; E115-A124 HydrophobicContact CG-CB 4.14Å; E115-A124 PolarHBondContact O-N 2.68Å; E115-L130 HydrophobicContact CB-CD2 3.99Å; E115-L130 HydrophobicContact CG-CD2 3.64Å; E115-L133 HydrophobicContact CG-CD1 3.68Å; E115-L133 WeakPolarHBondContact OE1-CD1 3.38Å; E115-I134 HydrophobicContact CB-CD1 3.67Å; E115-I134 HydrophobicContact CG-CD1 4.29Å
116M95.1Very high92.5Very high0 Ų045.4 Ų45.40%023%0.234CC..Hα-helixtrans-68.7-28.1178.1-75.6-176.87900113.3F82 R85 V86 T89 V112 P122 L123 A124 T125 L130F82-M116 HydrophobicContact CE2-CB 4.16Å; F82-M116 HydrophobicContact CE2-CE 4.34Å; F82-M116 HydrophobicContact CZ-CB 4.4Å; R85-M116 HydrophobicContact CB-CE 4.43Å; R85-M116 HydrophobicContact CG-CE 4.16Å; V86-M116 HydrophobicContact CB-CE 4.47Å; V86-M116 HydrophobicContact CG2-CE 3.81Å; V86-M116 HydrophobicContact CG2-SD 4.18Å; T89-M116 HydrophobicContact CG2-SD 3.98Å; V112-M116 HydrophobicContact CG1-CG 4.13Å; V112-M116 HydrophobicContact CG1-SD 3.72Å; V112-M116 WeakPolarHBondContact O-CB 3.17Å; V112-M116 WeakPolarHBondContact O-CG 3.38Å; V112-M116 PolarHBondContact O-N 2.82Å; M116-P122 WeakPolarHBondContact O-CA 3.36Å; M116-L123 PolarHBondContact O-N 3.5Å; M116-A124 WeakPolarHBondContact CA-O 3.47Å; M116-T125 HydrophobicContact CE-CG2 4.32Å; M116-L130 HydrophobicContact CG-CD1 3.72Å; M116-L130 HydrophobicContact CG-CD2 4.01Å; M116-L130 HydrophobicContact SD-CD1 4.16Å
117L94.6Very high92.1Very high0 Ų043.9 Ų43.90%023%0.226CC..EExtended strand (participates in β ladder)trans-143.4115.8-170.8-16588.9000111.4I2 W20 F82 L113 E114 E115 F121 P122I2-L117 HydrophobicContact CB-CD2 3.99Å; I2-L117 HydrophobicContact CD1-CD1 4Å; I2-L117 HydrophobicContact CG2-CD2 3.88Å; W20-L117 HydrophobicContact CB-CD2 4.42Å; W20-L117 HydrophobicContact CD2-CD2 3.39Å; W20-L117 HydrophobicContact CD2-CG 4.47Å; W20-L117 VanDerWaalsContact CE2-CD2 3.48Å; W20-L117 HydrophobicContact CE3-CD2 3.63Å; W20-L117 HydrophobicContact CG-CD2 3.78Å; W20-L117 HydrophobicContact CH2-CD2 4.02Å; W20-L117 HydrophobicContact CZ2-CB 4.11Å; W20-L117 HydrophobicContact CZ2-CD2 3.8Å; W20-L117 HydrophobicContact CZ3-CD2 3.93Å; W20-L117 PolarHBondContact NE1-O 2.83Å; W20-L117 VanDerWaalsContact NE1-O 3.09Å; F82-L117 HydrophobicContact CD1-CD1 4.5Å; F82-L117 HydrophobicContact CD2-CD1 4.32Å; F82-L117 HydrophobicContact CE1-CD1 4.01Å; F82-L117 HydrophobicContact CE2-CB 4.24Å; F82-L117 HydrophobicContact CE2-CD1 3.8Å; F82-L117 HydrophobicContact CZ-CB 3.82Å; F82-L117 HydrophobicContact CZ-CD1 3.64Å; F82-L117 HydrophobicContact CZ-CD2 4.41Å; F82-L117 HydrophobicContact CZ-CG 4.18Å; L113-L117 PolarHBondContact O-N 2.9Å; E114-L117 CarbonylContact O-C 3.57Å; E114-L117 PolarHBondContact O-N 2.83Å; E115-L117 VanDerWaalsContact C-N 3.3Å; E115-L117 PolarHBondContact O-N 2.85Å; L117-F121 CarbonylContact C-O 3.58Å; L117-F121 WeakPolarHBondContact CA-O 3.4Å; L117-P122 HydrophobicContact CD1-CB 4.31Å; L117-P122 HydrophobicContact CD1-CG 3.79Å; L117-P122 VanDerWaalsContact CD1-N 3.33Å
118D90.1Very high91.7Very high99 Ų9940.1 Ų40.153%0.52920%0.203SC..EExtended strand (participates in β ladder)trans-107.6123.9176.2-178.314.7000110.6G120 F121D118-G120 PolarHBondContact O-N 2.76Å; D118-F121 PolarHBondContact N-O 3.38Å; D118-F121 PolarHBondContact O-N 3.01Å
119N89.3Confident91.4Very high83 Ų8340.1 Ų40.144%0.44420%0.203SC..THydrogen-bonded Turntrans4831.7-179.8-167.120000114.2K21K21-N119 VanDerWaalsContact CE-OD1 3.24Å; K21-N119 WeakPolarHBondContact CE-OD1 3.26Å
120G88.3Confident91Very high0 Ų040.1 Ų40.10%020%0.203CC..THydrogen-bonded Turntrans88.14.6-178.900000116.4M1 I2 D118M1-G120 WeakPolarHBondContact CB-O 3.45Å; M1-G120 WeakPolarHBondContact CE-O 3.38Å; I2-G120 PolarHBondContact N-O 2.91Å; I2-G120 VanDerWaalsContact N-O 3.17Å; I2-G120 WeakPolarHBondContact O-CA 3.26Å; D118-G120 PolarHBondContact O-N 2.76Å
121F90.8Very high90.6Very high110 Ų11038 Ų3848%0.48220%0.195SC..EExtended strand (participates in β ladder)trans-107.8128.2175.5-64.5-93.8000110.7M1 L117 D118 L123M1-F121 HydrophobicContact CB-CE2 4.46Å; M1-F121 HydrophobicContact CE-CB 4.24Å; M1-F121 HydrophobicContact CE-CD1 3.23Å; M1-F121 HydrophobicContact CE-CD2 4.43Å; M1-F121 HydrophobicContact CE-CE1 3.59Å; M1-F121 HydrophobicContact CE-CG 3.71Å; M1-F121 HydrophobicContact CE-CZ 4.35Å; M1-F121 HydrophobicContact CG-CD1 4.03Å; M1-F121 HydrophobicContact CG-CD2 4.19Å; M1-F121 HydrophobicContact CG-CE1 3.51Å; M1-F121 HydrophobicContact CG-CE2 3.71Å; M1-F121 HydrophobicContact CG-CG 4.34Å; M1-F121 HydrophobicContact CG-CZ 3.35Å; M1-F121 HydrophobicContact SD-CD1 3.87Å; M1-F121 HydrophobicContact SD-CE1 3.52Å; M1-F121 VanDerWaalsContact SD-CE1 3.52Å; M1-F121 HydrophobicContact SD-CZ 4.03Å; L117-F121 CarbonylContact C-O 3.58Å; L117-F121 WeakPolarHBondContact CA-O 3.4Å; D118-F121 PolarHBondContact N-O 3.38Å; D118-F121 PolarHBondContact O-N 3.01Å; F121-L123 PolarHBondContact O-N 3.33Å
122P92.1Very high90Very high41 Ų4138.2 Ų38.227%0.26620%0.196SC..EExtended strand (participates in β ladder)trans-60.9130.3172.7-22.535.1000111.1F78 F82 M116 L117 T125F78-P122 HydrophobicContact CE1-CG 4.16Å; F78-P122 HydrophobicContact CE2-CG 4.06Å; F78-P122 HydrophobicContact CZ-CG 3.57Å; F82-P122 HydrophobicContact CB-CG 4.37Å; F82-P122 HydrophobicContact CD2-CB 3.84Å; F82-P122 HydrophobicContact CD2-CG 3.67Å; F82-P122 HydrophobicContact CE2-CB 4.19Å; F82-P122 HydrophobicContact CE2-CG 4.25Å; F82-P122 HydrophobicContact CG-CG 4.13Å; M116-P122 WeakPolarHBondContact O-CA 3.36Å; L117-P122 HydrophobicContact CD1-CB 4.31Å; L117-P122 HydrophobicContact CD1-CG 3.79Å; L117-P122 VanDerWaalsContact CD1-N 3.33Å; P122-T125 HydrophobicContact CB-CG2 4.15Å
123L87.1Confident89.6Confident103 Ų10339 Ų3954%0.53920%0.2SC..  trans-116.5-84.4-179.1-173.273.9000110.5M116 F121M116-L123 PolarHBondContact O-N 3.5Å; F121-L123 PolarHBondContact O-N 3.33Å
124A86.9Confident89.2Confident10 Ų1039.4 Ų39.48%0.08320%0.202CC..  trans-96.6100.9-179.200000110.7E115 M116 L130E115-A124 HydrophobicContact CG-CB 4.14Å; E115-A124 PolarHBondContact O-N 2.68Å; M116-A124 WeakPolarHBondContact CA-O 3.47Å; A124-L130 HydrophobicContact CB-CD2 4.13Å; A124-L130 WeakPolarHBondContact O-CD2 3.48Å
125T89.4Confident88.9Confident35 Ų3538.4 Ų38.422%0.21520%0.196CC..  trans-114.43.7-179.157.60000113.8F82 M116 P122F82-T125 HydrophobicContact CD2-CG2 4.41Å; F82-T125 HydrophobicContact CE2-CG2 4.45Å; M116-T125 HydrophobicContact CE-CG2 4.32Å; P122-T125 HydrophobicContact CB-CG2 4.15Å
126E88.4Confident88.6Confident36 Ų3637.6 Ų37.617%0.16820%0.196CC..  trans-86.7116.8176.6-68.6-59.8150.300110.1N128 I129 L130 P166 W167E126-N128 VanDerWaalsContact C-N 3.27Å; E126-N128 PolarHBondContact O-N 2.78Å; E126-I129 HydrophobicContact CB-CB 4.35Å; E126-I129 HydrophobicContact CB-CG1 4.12Å; E126-I129 PolarHBondContact O-N 2.91Å; E126-L130 PolarHBondContact O-N 2.66Å; E126-P166 HydrophobicContact CG-CB 4.39Å; E126-W167 HydrophobicContact CG-CB 4.5Å; E126-W167 WeakPolarHBondContact OE2-CB 3.4Å
127S86.8Confident87.9Confident24 Ų2438.8 Ų38.817%0.16820%0.203CC..Hα-helixtrans-56.1-40.1-173.9178.60000113.2D92 I129 L130 K131D92-S127 WeakPolarHBondContact OD2-CB 3.49Å; D92-S127 PolarHBondContact OD2-OG 2.74Å; S127-I129 VanDerWaalsContact C-N 3.26Å; S127-I129 PolarHBondContact O-N 3.49Å; S127-L130 PolarHBondContact O-N 2.94Å; S127-K131 WeakPolarHBondContact O-CB 3.33Å; S127-K131 VanDerWaalsContact O-CG 3.26Å; S127-K131 WeakPolarHBondContact O-CG 3.26Å; S127-K131 PolarHBondContact O-N 2.79Å; S127-K131 WeakPolarHBondContact OG-CE 3.28Å
128N85.4Confident87.1Confident17 Ų1742.5 Ų42.59%0.09123%0.226CC..Hα-helixtrans-63.6-31.6-179.9-79.3-32.9000113.2E126 W167 R169 D254E126-N128 VanDerWaalsContact C-N 3.27Å; E126-N128 PolarHBondContact O-N 2.78Å; N128-W167 PolarHBondContact ND2-O 2.83Å; N128-R169 HydrophobicContact CB-CG 4.26Å; N128-R169 WeakPolarHBondContact O-CD 3.14Å; N128-D254 PolarHBondContact ND2-N 2.9Å; N128-D254 PolarHBondContact ND2-O 2.87Å
129I86.4Confident86.2Confident5 Ų544.9 Ų44.93%0.02624%0.237CC..Hα-helixtrans-77.1-46.6175.2-62.6-61000110E126 S127 K131 E132 L133 P158 P166E126-I129 HydrophobicContact CB-CB 4.35Å; E126-I129 HydrophobicContact CB-CG1 4.12Å; E126-I129 PolarHBondContact O-N 2.91Å; S127-I129 VanDerWaalsContact C-N 3.26Å; S127-I129 PolarHBondContact O-N 3.49Å; I129-K131 VanDerWaalsContact C-N 3.25Å; I129-K131 PolarHBondContact O-N 3.44Å; I129-E132 WeakPolarHBondContact O-CB 3.31Å; I129-E132 PolarHBondContact O-N 3.25Å; I129-L133 HydrophobicContact CG2-CD1 3.9Å; I129-L133 PolarHBondContact O-N 2.84Å; I129-L133 VanDerWaalsContact O-N 3.11Å; I129-P158 HydrophobicContact CD1-CB 4.24Å; I129-P158 HydrophobicContact CG2-CB 4.27Å; I129-P158 HydrophobicContact CG2-CG 4.06Å; I129-P166 WeakPolarHBondContact CD1-O 3.5Å; I129-P166 WeakPolarHBondContact CG1-O 3.34Å
130L89.3Confident85Confident0 Ų047.8 Ų47.80%025%0.252CS..Hα-helixtrans-54.2-45.2175.7-72.2172.3000110.6T89 Y93 E115 M116 A124 E126 S127 E132 L133 I134T89-L130 HydrophobicContact CG2-CD1 3.79Å; Y93-L130 HydrophobicContact CE2-CB 4.22Å; Y93-L130 WeakPolarHBondContact OH-CB 3.37Å; Y93-L130 PolarHBondContact OH-O 2.84Å; E115-L130 HydrophobicContact CB-CD2 3.99Å; E115-L130 HydrophobicContact CG-CD2 3.64Å; M116-L130 HydrophobicContact CG-CD1 3.72Å; M116-L130 HydrophobicContact CG-CD2 4.01Å; M116-L130 HydrophobicContact SD-CD1 4.16Å; A124-L130 HydrophobicContact CB-CD2 4.13Å; A124-L130 WeakPolarHBondContact O-CD2 3.48Å; E126-L130 PolarHBondContact O-N 2.66Å; S127-L130 PolarHBondContact O-N 2.94Å; L130-E132 PolarHBondContact O-N 2.75Å; L130-L133 PolarHBondContact O-N 3.21Å; L130-L133 VanDerWaalsContact O-N 3.15Å; L130-I134 CarbonylContact O-C 3.54Å; L130-I134 PolarHBondContact O-N 3.1Å; L130-I134 VanDerWaalsContact O-O 3.12Å
131K87.4Confident84.1Confident38 Ų3850.3 Ų50.317%0.16526%0.261CS..Hα-helixtrans-67.6-16.6-179.3-72.6178.2171.2177.80114.2D92 Y93 S127 I129 I134 K135 P136D92-K131 WeakPolarHBondContact O-CE 3.41Å; D92-K131 PolarHBondContact O-NZ 3.32Å; D92-K131 IonicContact OD1-NZ 3.53Å; D92-K131 PolarHBondContact OD1-NZ 2.92Å; D92-K131 VanDerWaalsContact OD2-CE 3.22Å; D92-K131 WeakPolarHBondContact OD2-CE 3.36Å; D92-K131 IonicContact OD2-NZ 3.31Å; D92-K131 PolarHBondContact OD2-NZ 2.68Å; Y93-K131 HydrophobicContact CD2-CG 4.36Å; Y93-K131 HydrophobicContact CE2-CG 3.62Å; Y93-K131 VanDerWaalsContact OH-CA 3.31Å; Y93-K131 WeakPolarHBondContact OH-CA 3.07Å; Y93-K131 PolarHBondContact OH-N 2.92Å; S127-K131 WeakPolarHBondContact O-CB 3.33Å; S127-K131 VanDerWaalsContact O-CG 3.26Å; S127-K131 WeakPolarHBondContact O-CG 3.26Å; S127-K131 PolarHBondContact O-N 2.79Å; S127-K131 WeakPolarHBondContact OG-CE 3.28Å; I129-K131 VanDerWaalsContact C-N 3.25Å; I129-K131 PolarHBondContact O-N 3.44Å; K131-I134 WeakPolarHBondContact CA-O 3.26Å; K131-K135 WeakPolarHBondContact O-CA 3.49Å; K131-K135 WeakPolarHBondContact O-CG 3.21Å; K131-P136 HydrophobicContact CB-CG 4.39Å; K131-P136 HydrophobicContact CD-CG 4Å; K131-P136 HydrophobicContact CG-CG 3.72Å
132E83.3Confident83Confident51 Ų5148.8 Ų48.824%0.23826%0.261CS..Hα-helixtrans-84.3-42.2172.9-168.4172.417700110.8I129 L130 P158I129-E132 WeakPolarHBondContact O-CB 3.31Å; I129-E132 PolarHBondContact O-N 3.25Å; L130-E132 PolarHBondContact O-N 2.75Å; E132-P158 HydrophobicContact CB-CB 4.43Å; E132-P158 HydrophobicContact CB-CG 4.13Å; E132-P158 HydrophobicContact CG-CB 4.24Å; E132-P158 HydrophobicContact CG-CG 4.15Å; E132-P158 WeakPolarHBondContact OE2-CB 3.43Å
133L85.7Confident81.8Confident16 Ų1650.5 Ų50.58%0.08427%0.271CS..Hα-helixtrans-69.7-45.1176.3-72161.8000112.7E115 I129 L130 V153 G154 L157 P158E115-L133 HydrophobicContact CG-CD1 3.68Å; E115-L133 WeakPolarHBondContact OE1-CD1 3.38Å; I129-L133 HydrophobicContact CG2-CD1 3.9Å; I129-L133 PolarHBondContact O-N 2.84Å; I129-L133 VanDerWaalsContact O-N 3.11Å; L130-L133 PolarHBondContact O-N 3.21Å; L130-L133 VanDerWaalsContact O-N 3.15Å; L133-V153 CarbonylContact O-C 3.49Å; L133-V153 WeakPolarHBondContact O-CA 3.39Å; L133-G154 PolarHBondContact O-N 2.87Å; L133-L157 HydrophobicContact CD2-CD2 4.34Å; L133-P158 HydrophobicContact CD1-CG 3.95Å; L133-P158 HydrophobicContact CD2-CG 3.65Å; L133-P158 HydrophobicContact CG-CG 3.41Å; L133-P158 VanDerWaalsContact CG-CG 3.41Å
134I89.9Confident80.8Confident8 Ų849.1 Ų49.14%0.04127%0.267CS..BIsolated β-bridgetrans-134.297.6-174.6-57.5156.7000106.1Y93 V108 E111 V112 E115 L130 K131Y93-I134 HydrophobicContact CE1-CG2 4.35Å; Y93-I134 WeakPolarHBondContact CE1-O 3.35Å; Y93-I134 VanDerWaalsContact CZ-O 3.31Å; Y93-I134 PolarHBondContact OH-O 3.23Å; V108-I134 HydrophobicContact CG1-CG2 3.95Å; E111-I134 HydrophobicContact CB-CD1 3.91Å; E111-I134 HydrophobicContact CB-CG1 4.22Å; E111-I134 HydrophobicContact CB-CG2 3.99Å; E111-I134 WeakPolarHBondContact O-CD1 3.09Å; V112-I134 HydrophobicContact CG2-CB 4.33Å; V112-I134 HydrophobicContact CG2-CD1 4.15Å; V112-I134 HydrophobicContact CG2-CG2 3.95Å; E115-I134 HydrophobicContact CB-CD1 3.67Å; E115-I134 HydrophobicContact CG-CD1 4.29Å; L130-I134 CarbonylContact O-C 3.54Å; L130-I134 PolarHBondContact O-N 3.1Å; L130-I134 VanDerWaalsContact O-O 3.12Å; K131-I134 WeakPolarHBondContact CA-O 3.26Å
135K86.9Confident80.3Confident80 Ų8049.8 Ų49.835%0.34827%0.269SS..PPolyproline II helixtrans-74.1137.1-172-65.9173.1-174.5167.50110K131 N152K131-K135 WeakPolarHBondContact O-CA 3.49Å; K131-K135 WeakPolarHBondContact O-CG 3.21Å; K135-N152 PolarHBondContact N-O 3.3Å
136P86.6Confident79.4Confident34 Ų3453.7 Ų53.722%0.22129%0.293CS..PPolyproline II helixtrans-56.8143.9-179-2835.1000113.2Y93 K131 T138Y93-P136 HydrophobicContact CD1-CB 4.14Å; Y93-P136 HydrophobicContact CD1-CG 4.04Å; Y93-P136 HydrophobicContact CE1-CG 4.06Å; Y93-P136 HydrophobicContact CG-CG 4.4Å; K131-P136 HydrophobicContact CB-CG 4.39Å; K131-P136 HydrophobicContact CD-CG 4Å; K131-P136 HydrophobicContact CG-CG 3.72Å; P136-T138 PolarHBondContact O-N 2.99Å
137P81.6Confident78.4Confident25 Ų2558.4 Ų58.416%0.16232%0.318CS..PPolyproline II helixtrans-68.8130.6175.328.6-31.3000109.4F94 N105 V108F94-P137 HydrophobicContact CD1-CG 3.82Å; F94-P137 HydrophobicContact CE1-CG 3.72Å; N105-P137 VanDerWaalsContact OD1-CG 3.25Å; N105-P137 WeakPolarHBondContact OD1-CG 3.47Å; V108-P137 HydrophobicContact CG2-CG 4.45Å
138T77.5Confident77.8Confident77 Ų7761.4 Ų61.447%0.47234%0.335SS..  trans-132.4152.8172.556.30000108.4P136 L140 R141 T142P136-T138 PolarHBondContact O-N 2.99Å; T138-L140 VanDerWaalsContact C-N 3.27Å; T138-L140 PolarHBondContact O-N 3.3Å; T138-R141 CarbonylContact O-C 3.56Å; T138-R141 WeakPolarHBondContact O-CA 3.35Å; T138-R141 WeakPolarHBondContact O-CB 3.26Å; T138-R141 PolarHBondContact O-N 2.87Å; T138-R141 VanDerWaalsContact OG1-CB 3.26Å; T138-R141 WeakPolarHBondContact OG1-CB 3.44Å; T138-T142 PolarHBondContact O-N 3.25Å; T138-T142 PolarHBondContact O-OG1 3.35Å
139I71.7Confident77.2Confident150 Ų15063.9 Ų63.977%0.76936%0.364SS*.Hα-helixtrans-51.9-47.3-176.9-62.1171.5000111.4R141 T142 V143I139-R141 PolarHBondContact O-N 2.98Å; I139-T142 PolarHBondContact O-N 2.9Å; I139-V143 WeakPolarHBondContact O-CG2 3.42Å; I139-V143 PolarHBondContact O-N 3.05Å
140L64.3Low76.6Confident143 Ų14366.1 Ų66.175%0.74938%0.381SS*.Hα-helixtrans-59.7-38177.5-70.3173.2000111.9T138 V144T138-L140 VanDerWaalsContact C-N 3.27Å; T138-L140 PolarHBondContact O-N 3.3Å; L140-V144 VanDerWaalsContact O-CG2 3.31Å; L140-V144 WeakPolarHBondContact O-CG2 3.42Å; L140-V144 PolarHBondContact O-N 3.12Å
141R68.4Low76Confident54 Ų5470 Ų7020%0.20440%0.404CS..Hα-helixtrans-76.2-39.5-179-173.1154-169.5179.4-13.9113.4T138 I139 V143 V144 N145 T151 N152T138-R141 CarbonylContact O-C 3.56Å; T138-R141 WeakPolarHBondContact O-CA 3.35Å; T138-R141 WeakPolarHBondContact O-CB 3.26Å; T138-R141 PolarHBondContact O-N 2.87Å; T138-R141 VanDerWaalsContact OG1-CB 3.26Å; T138-R141 WeakPolarHBondContact OG1-CB 3.44Å; I139-R141 PolarHBondContact O-N 2.98Å; R141-V143 PolarHBondContact O-N 3.31Å; R141-V144 PolarHBondContact O-N 2.85Å; R141-V144 VanDerWaalsContact O-N 3.1Å; R141-N145 WeakPolarHBondContact CG-OD1 3.39Å; R141-N145 WeakPolarHBondContact O-CB 3.42Å; R141-N145 VanDerWaalsContact O-CG 3.28Å; R141-N145 PolarHBondContact O-N 2.88Å; R141-N145 PolarHBondContact O-OD1 2.85Å; R141-T151 PolarHBondContact NH2-O 2.77Å; R141-T151 VanDerWaalsContact NH2-O 3.14Å; R141-N152 PolarHBondContact NE-OD1 2.85Å
142T68.5Low75.5Confident77 Ų7769.3 Ų69.347%0.47240%0.402SS..Hα-helixtrans-56-40.6174-51.70000110.3T138 I139 T146T138-T142 PolarHBondContact O-N 3.25Å; T138-T142 PolarHBondContact O-OG1 3.35Å; I139-T142 PolarHBondContact O-N 2.9Å; T142-T146 WeakPolarHBondContact O-CB 3.33Å; T142-T146 PolarHBondContact O-N 2.86Å; T142-T146 VanDerWaalsContact O-N 3.1Å; T142-T146 PolarHBondContact O-OG1 3.35Å
143V65.8Low75.3Confident78 Ų7870 Ų7047%0.47341%0.41SS..Hα-helixtrans-66.5-47.4174.5175.40000111.7I139 R141 N145 T146 I147I139-V143 WeakPolarHBondContact O-CG2 3.42Å; I139-V143 PolarHBondContact O-N 3.05Å; R141-V143 PolarHBondContact O-N 3.31Å; V143-N145 PolarHBondContact O-N 3.24Å; V143-T146 PolarHBondContact O-N 2.67Å; V143-I147 HydrophobicContact CG1-CD1 3.64Å; V143-I147 VanDerWaalsContact O-CG1 3.29Å; V143-I147 WeakPolarHBondContact O-CG1 3.18Å; V143-I147 PolarHBondContact O-N 3.28Å
144V67.4Low74.6Confident74 Ų7470 Ų7045%0.44841%0.414SS..Hα-helixtrans-60.6-47.2178.2169.40000111.8L140 R141 T146 I147 T148L140-V144 VanDerWaalsContact O-CG2 3.31Å; L140-V144 WeakPolarHBondContact O-CG2 3.42Å; L140-V144 PolarHBondContact O-N 3.12Å; R141-V144 PolarHBondContact O-N 2.85Å; R141-V144 VanDerWaalsContact O-N 3.1Å; V144-T146 VanDerWaalsContact C-N 3.29Å; V144-T146 PolarHBondContact O-N 3.09Å; V144-I147 PolarHBondContact O-N 3.38Å; V144-I147 VanDerWaalsContact O-N 3.16Å; V144-T148 HydrophobicContact CG1-CG2 4.1Å; V144-T148 WeakPolarHBondContact O-CB 3.49Å; V144-T148 WeakPolarHBondContact O-CG2 3.44Å; V144-T148 PolarHBondContact O-N 2.98Å; V144-T148 PolarHBondContact O-OG1 3.27Å
145N75.1Confident73.6Confident24 Ų2477.3 Ų77.313%0.12845%0.453CS..Hα-helixtrans-59.6-41.2178.3-70.510.3000111R141 V143 I147 G149 S150 N152R141-N145 WeakPolarHBondContact CG-OD1 3.39Å; R141-N145 WeakPolarHBondContact O-CB 3.42Å; R141-N145 VanDerWaalsContact O-CG 3.28Å; R141-N145 PolarHBondContact O-N 2.88Å; R141-N145 PolarHBondContact O-OD1 2.85Å; V143-N145 PolarHBondContact O-N 3.24Å; N145-I147 VanDerWaalsContact C-N 3.33Å; N145-I147 PolarHBondContact O-N 3.49Å; N145-G149 VanDerWaalsContact O-CA 3.31Å; N145-G149 WeakPolarHBondContact O-CA 3.18Å; N145-G149 PolarHBondContact O-N 3.4Å; N145-S150 WeakPolarHBondContact CB-O 3.27Å; N145-S150 VanDerWaalsContact CG-O 3.23Å; N145-S150 PolarHBondContact O-N 3.16Å; N145-S150 PolarHBondContact OD1-OG 2.89Å; N145-N152 PolarHBondContact ND2-OD1 2.71Å
146T70Confident72.8Confident117 Ų11781.2 Ų81.272%0.71847%0.473SS*.Hα-helixtrans-64.5-36.7177.2-55.10000112.3T142 V143 V144T142-T146 WeakPolarHBondContact O-CB 3.33Å; T142-T146 PolarHBondContact O-N 2.86Å; T142-T146 VanDerWaalsContact O-N 3.1Å; T142-T146 PolarHBondContact O-OG1 3.35Å; V143-T146 PolarHBondContact O-N 2.67Å; V144-T146 VanDerWaalsContact C-N 3.29Å; V144-T146 PolarHBondContact O-N 3.09Å
147I69.1Low71.9Confident135 Ų13586.1 Ų86.169%0.69250%0.496SS*.Hα-helixtrans-81.6-36.3-178.2-66.7168.4000111.9V143 V144 N145V143-I147 HydrophobicContact CG1-CD1 3.64Å; V143-I147 VanDerWaalsContact O-CG1 3.29Å; V143-I147 WeakPolarHBondContact O-CG1 3.18Å; V143-I147 PolarHBondContact O-N 3.28Å; V144-I147 PolarHBondContact O-N 3.38Å; V144-I147 VanDerWaalsContact O-N 3.16Å; N145-I147 VanDerWaalsContact C-N 3.33Å; N145-I147 PolarHBondContact O-N 3.49Å
148T72.8Confident71.2Confident87 Ų8785.3 Ų85.353%0.53449%0.491SS..Hα-helixtrans-100.8-10.4-171.5600000113.7V144 S150V144-T148 HydrophobicContact CG1-CG2 4.1Å; V144-T148 WeakPolarHBondContact O-CB 3.49Å; V144-T148 WeakPolarHBondContact O-CG2 3.44Å; V144-T148 PolarHBondContact O-N 2.98Å; V144-T148 PolarHBondContact O-OG1 3.27Å; T148-S150 PolarHBondContact O-N 3.32Å; T148-S150 WeakPolarHBondContact OG1-CB 3.4Å; T148-S150 PolarHBondContact OG1-N 3.35Å; T148-S150 PolarHBondContact OG1-OG 3.12Å
149G73.4Confident70.5Confident68 Ų6886.1 Ų86.170%0.70150%0.496SS*.  trans68.514.3-172.100000114N145N145-G149 VanDerWaalsContact O-CA 3.31Å; N145-G149 WeakPolarHBondContact O-CA 3.18Å; N145-G149 PolarHBondContact O-N 3.4Å
150S74.7Confident70Confident53 Ų5379 Ų7937%0.37146%0.46SS..  trans-81.9157.1179.957.10000112.6N145 T148N145-S150 WeakPolarHBondContact CB-O 3.27Å; N145-S150 VanDerWaalsContact CG-O 3.23Å; N145-S150 PolarHBondContact O-N 3.16Å; N145-S150 PolarHBondContact OD1-OG 2.89Å; T148-S150 PolarHBondContact O-N 3.32Å; T148-S150 WeakPolarHBondContact OG1-CB 3.4Å; T148-S150 PolarHBondContact OG1-N 3.35Å; T148-S150 PolarHBondContact OG1-OG 3.12Å
151T76.8Confident69.8Low82 Ų8275.6 Ų75.650%0.50344%0.44SS..  trans-105.1175.1-179.563.60000112.1R141 V153R141-T151 PolarHBondContact NH2-O 2.77Å; R141-T151 VanDerWaalsContact NH2-O 3.14Å; T151-V153 VanDerWaalsContact C-N 3.32Å
152N76.7Confident69.5Low22 Ų2281.4 Ų81.412%0.11847%0.474CS..SBendtrans-80.9-16.3174.4-71.5-33.6000113V108 K135 R141 N145V108-N152 HydrophobicContact CG2-CB 4.43Å; V108-N152 WeakPolarHBondContact CG2-ND2 3.4Å; K135-N152 PolarHBondContact N-O 3.3Å; R141-N152 PolarHBondContact NE-OD1 2.85Å; N145-N152 PolarHBondContact ND2-OD1 2.71Å
153V77.8Confident69.8Low65 Ų6579.9 Ų79.939%0.39447%0.467SS..BIsolated β-bridgetrans-63.2135.6174.7-174.70000110.2L133 T151L133-V153 CarbonylContact O-C 3.49Å; L133-V153 WeakPolarHBondContact O-CA 3.39Å; T151-V153 VanDerWaalsContact C-N 3.32Å
154G71.8Confident70.3Confident17 Ų1782.5 Ų82.518%0.17548%0.482CS..  trans-76.1141.3177.100000112L133 Q156L133-G154 PolarHBondContact O-N 2.87Å; G154-Q156 PolarHBondContact O-N 2.89Å
155D69.1Low71.2Confident161 Ų16179.7 Ų79.786%0.86147%0.465SS*.SBendtrans-76.9-6.5178.1-55.4-52.1000113.6
156Q70.3Confident71.7Confident162 Ų16280.4 Ų80.476%0.75747%0.471SS*.SBendtrans-134.1139.3-177.7-66.6-175.3-3.800110.3G154G154-Q156 PolarHBondContact O-N 2.89Å
157L67.9Low72.6Confident137 Ų13776.2 Ų76.272%0.71744%0.442SS*.  trans-67.9139.8173.6-68.7171.5000110.4L133 T159L133-L157 HydrophobicContact CD2-CD2 4.34Å; L157-T159 PolarHBondContact O-N 3.34Å
158P65.3Low73.5Confident8 Ų869.9 Ų69.95%0.05241%0.41CS..  trans-59.2127.3176.3-21.330000110.8I129 E132 L133 G160 Q161I129-P158 HydrophobicContact CD1-CB 4.24Å; I129-P158 HydrophobicContact CG2-CB 4.27Å; I129-P158 HydrophobicContact CG2-CG 4.06Å; E132-P158 HydrophobicContact CB-CB 4.43Å; E132-P158 HydrophobicContact CB-CG 4.13Å; E132-P158 HydrophobicContact CG-CB 4.24Å; E132-P158 HydrophobicContact CG-CG 4.15Å; E132-P158 WeakPolarHBondContact OE2-CB 3.43Å; L133-P158 HydrophobicContact CD1-CG 3.95Å; L133-P158 HydrophobicContact CD2-CG 3.65Å; L133-P158 HydrophobicContact CG-CG 3.41Å; L133-P158 VanDerWaalsContact CG-CG 3.41Å; P158-G160 PolarHBondContact O-N 3.35Å; P158-G160 VanDerWaalsContact O-N 3.1Å; P158-Q161 HydrophobicContact CB-CB 4.49Å; P158-Q161 PolarHBondContact O-N 2.79Å
159T64.2Low73.9Confident94 Ų9469.4 Ų69.458%0.57740%0.398SS*.THydrogen-bonded Turntrans-62.4-18.2171.548.40000112.5L157 T170L157-T159 PolarHBondContact O-N 3.34Å; T159-T170 PolarHBondContact OG1-OG1 3.32Å
160G60Low74.3Confident1 Ų169.7 Ų69.71%0.0139%0.386CS..THydrogen-bonded Turntrans-84.1-14.8-178.900000116.1P158 L162 S163P158-G160 PolarHBondContact O-N 3.35Å; P158-G160 VanDerWaalsContact O-N 3.1Å; G160-L162 PolarHBondContact O-N 3.43Å; G160-S163 WeakPolarHBondContact O-CB 3.49Å; G160-S163 PolarHBondContact O-N 2.99Å
161Q59.9Low74.7Confident72 Ų7270 Ų7034%0.33640%0.398SS..THydrogen-bonded Turntrans-65.4-27.2-171.3-166.4172.82.400113.3P158P158-Q161 HydrophobicContact CB-CB 4.49Å; P158-Q161 PolarHBondContact O-N 2.79Å
162L63.7Low75.3Confident176 Ų17666.7 Ų66.792%0.92138%0.378SS*.THydrogen-bonded Turntrans-107.19.5173.7-61.1175.1000112.8G160G160-L162 PolarHBondContact O-N 3.43Å
163S73.5Confident76Confident45 Ų4574.1 Ų74.132%0.31541%0.409SS..SBendtrans-78.6151.7179.8-179.20000111G160 V165 P166G160-S163 WeakPolarHBondContact O-CB 3.49Å; G160-S163 PolarHBondContact O-N 2.99Å; S163-V165 PolarHBondContact O-N 2.87Å; S163-V165 PolarHBondContact OG-N 2.85Å; S163-P166 WeakPolarHBondContact O-CD 3.23Å
164V77.1Confident76.8Confident132 Ų13274.3 Ų74.380%0.840%0.403SS*.SBendtrans-70.3-3.5166.8-61.40000112.8P166V164-P166 VanDerWaalsContact C-CD 3.43Å
165V85.3Confident77.9Confident15 Ų1580.2 Ų80.29%0.09144%0.436CS..  trans-125.464.4176.1-166.50000109.6S163 W167 R168 M215 I251S163-V165 PolarHBondContact O-N 2.87Å; S163-V165 PolarHBondContact OG-N 2.85Å; V165-W167 HydrophobicContact CB-CZ2 4.33Å; V165-W167 HydrophobicContact CG1-CD2 4.38Å; V165-W167 HydrophobicContact CG1-CZ2 3.8Å; V165-W167 VanDerWaalsContact CG1-NE1 3.28Å; V165-W167 PolarHBondContact O-N 2.92Å; V165-R168 HydrophobicContact CG1-CB 3.94Å; V165-R168 PolarHBondContact O-N 2.92Å; V165-M215 HydrophobicContact CB-CE 4.16Å; V165-M215 HydrophobicContact CG1-CE 4.03Å; V165-M215 HydrophobicContact CG2-CE 4.4Å; V165-I251 HydrophobicContact CG1-CB 4.02Å; V165-I251 HydrophobicContact CG1-CG2 3.75Å; V165-I251 HydrophobicContact CG2-CD1 3.92Å
166P85.8Confident79.2Confident39 Ų3978.4 Ų78.425%0.25343%0.426SS..THydrogen-bonded Turntrans-66.5-23.1-173.828-36000112.5E126 I129 S163 V164 R168E126-P166 HydrophobicContact CG-CB 4.39Å; I129-P166 WeakPolarHBondContact CD1-O 3.5Å; I129-P166 WeakPolarHBondContact CG1-O 3.34Å; S163-P166 WeakPolarHBondContact O-CD 3.23Å; V164-P166 VanDerWaalsContact C-CD 3.43Å; P166-R168 VanDerWaalsContact C-N 3.3Å; P166-R168 PolarHBondContact O-N 2.89Å
167W88.6Confident80.5Confident30 Ų3072.1 Ų72.111%0.11440%0.398CS..THydrogen-bonded Turntrans-79.5-3.5-177.952.876.6000114.9E126 N128 V165 P235 C236 I251 P253E126-W167 HydrophobicContact CG-CB 4.5Å; E126-W167 WeakPolarHBondContact OE2-CB 3.4Å; N128-W167 PolarHBondContact ND2-O 2.83Å; V165-W167 HydrophobicContact CB-CZ2 4.33Å; V165-W167 HydrophobicContact CG1-CD2 4.38Å; V165-W167 HydrophobicContact CG1-CZ2 3.8Å; V165-W167 VanDerWaalsContact CG1-NE1 3.28Å; V165-W167 PolarHBondContact O-N 2.92Å; W167-P235 HydrophobicContact CE3-CB 4.05Å; W167-P235 VanDerWaalsContact CH2-O 3.27Å; W167-P235 WeakPolarHBondContact CH2-O 3.11Å; W167-P235 HydrophobicContact CZ3-CB 3.95Å; W167-P235 WeakPolarHBondContact CZ3-O 3.48Å; W167-C236 HydrophobicContact CD2-CB 3.93Å; W167-C236 VanDerWaalsContact CE2-CB 3.43Å; 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 3.28Å; W167-I251 PolarHBondContact NE1-O 2.88Å; W167-P253 HydrophobicContact CB-CG 4.06Å; W167-P253 HydrophobicContact CG-CG 4.16Å; W167-P253 WeakPolarHBondContact O-CA 3.3Å
168R88.9Confident81.9Confident1 Ų167.5 Ų67.50%0.00437%0.373CS..SBendtrans-132128.5-177.6-170.6-178-177.773.66.9112.2V165 P166 L212 G214 M215 I251 P252V165-R168 HydrophobicContact CG1-CB 3.94Å; V165-R168 PolarHBondContact O-N 2.92Å; P166-R168 VanDerWaalsContact C-N 3.3Å; P166-R168 PolarHBondContact O-N 2.89Å; R168-L212 PolarHBondContact NH2-O 3.5Å; R168-G214 VanDerWaalsContact CZ-O 3.32Å; R168-G214 PolarHBondContact NE-O 2.78Å; R168-G214 PolarHBondContact NH2-O 2.83Å; R168-M215 HydrophobicContact CB-CE 4.48Å; R168-M215 HydrophobicContact CG-CE 4.5Å; R168-M215 HydrophobicContact CG-SD 3.98Å; R168-I251 HydrophobicContact CB-CG2 4.4Å; R168-I251 VanDerWaalsContact CD-CG2 3.41Å; R168-P252 VanDerWaalsContact CD-O 3.22Å; R168-P252 WeakPolarHBondContact CD-O 3.47Å; R168-P252 PolarHBondContact NH1-O 2.88Å
169R82.3Confident83.4Confident77 Ų7767.1 Ų67.129%0.29137%0.37SS..  trans-72.6147.2176.2-65.4178.2-67176.82.1112.1N128 V172 D254N128-R169 HydrophobicContact CB-CG 4.26Å; N128-R169 WeakPolarHBondContact O-CD 3.14Å; R169-V172 HydrophobicContact CB-CG2 3.94Å; R169-V172 WeakPolarHBondContact O-CG2 3.3Å; R169-D254 IonicContact NH2-OD2 2.79Å; R169-D254 PolarHBondContact NH2-OD2 2.84Å
170T80.6Confident85Confident74 Ų7465.9 Ų65.945%0.45436%0.356SS..THydrogen-bonded Turntrans-77.2152.5170.463.40000110.4T159 V172T159-T170 PolarHBondContact OG1-OG1 3.32Å; T170-V172 VanDerWaalsContact C-N 3.27Å; T170-V172 PolarHBondContact O-N 2.89Å
171G83.3Confident86.9Confident60 Ų6065.8 Ų65.862%0.61936%0.355SS*.THydrogen-bonded Turntrans70.512.6173.400000116.5K173G171-K173 PolarHBondContact O-N 3.04Å
172V88.8Confident88.7Confident13 Ų1365.2 Ų65.28%0.07935%0.354CS..  trans-53.6133.8172.9175.90000110.1R169 T170 Y174 L212 T213 G214 D254R169-V172 HydrophobicContact CB-CG2 3.94Å; R169-V172 WeakPolarHBondContact O-CG2 3.3Å; T170-V172 VanDerWaalsContact C-N 3.27Å; T170-V172 PolarHBondContact O-N 2.89Å; V172-Y174 HydrophobicContact CG1-CD2 3.84Å; V172-Y174 HydrophobicContact CG1-CE2 3.37Å; V172-L212 WeakPolarHBondContact CG1-O 3.4Å; V172-T213 CarbonylContact O-C 3.55Å; V172-T213 VanDerWaalsContact O-CA 3.29Å; V172-T213 WeakPolarHBondContact O-CA 3.43Å; V172-T213 WeakPolarHBondContact O-CG2 3.31Å; V172-G214 PolarHBondContact O-N 2.79Å; V172-D254 WeakPolarHBondContact CG1-OD1 3.49Å
173K92.7Very high90.4Very high178 Ų17856.9 Ų56.977%0.77431%0.31SS*.  trans-134.4135.2178.5-67.8-176-175.7-1800111.4G171 T213G171-K173 PolarHBondContact O-N 3.04Å; K173-T213 HydrophobicContact CG-CG2 4.22Å
174Y94.4Very high91.5Very high69 Ų6956.1 Ų56.127%0.27130%0.303SS..  trans-131.2139.9172.3-70.1-79.1000111V172 N176 N177 K211 T213 D254V172-Y174 HydrophobicContact CG1-CD2 3.84Å; V172-Y174 HydrophobicContact CG1-CE2 3.37Å; Y174-N176 VanDerWaalsContact C-N 3.33Å; Y174-N176 WeakPolarHBondContact CB-O 3.49Å; Y174-N177 PolarHBondContact O-ND2 2.73Å; Y174-K211 HydrophobicContact CD1-CB 3.96Å; Y174-K211 HydrophobicContact CD1-CD 4.48Å; Y174-K211 HydrophobicContact CD2-CB 4Å; Y174-K211 HydrophobicContact CE1-CB 3.78Å; Y174-K211 HydrophobicContact CE1-CD 4.05Å; Y174-K211 HydrophobicContact CE1-CG 3.96Å; Y174-K211 VanDerWaalsContact CE2-CA 3.44Å; Y174-K211 HydrophobicContact CE2-CB 3.78Å; Y174-K211 HydrophobicContact CE2-CG 4.46Å; Y174-K211 HydrophobicContact CG-CB 4.06Å; Y174-T213 PolarHBondContact N-OG1 2.91Å; Y174-T213 PolarHBondContact O-OG1 3.39Å; Y174-D254 VanDerWaalsContact CE2-OD1 3.28Å; Y174-D254 WeakPolarHBondContact CE2-OD1 3.44Å; Y174-D254 PolarHBondContact OH-OD1 2.91Å; Y174-D254 PolarHBondContact OH-OD2 3.11Å; Y174-D254 VanDerWaalsContact OH-OD2 3.13Å
175T94.3Very high92.5Very high140 Ų14049.9 Ų49.986%0.85927%0.265SS*.SBendtrans-63.1-44.1169.6-48.70000110.6
176N95.6Very high93.1Very high123 Ų12351.9 Ų51.966%0.65827%0.273SS*.SBendtrans-114.1118.8177.3-63.7-32.1000108.9Y174Y174-N176 VanDerWaalsContact C-N 3.33Å; Y174-N176 WeakPolarHBondContact CB-O 3.49Å
177N97.6Very high93.6Very high30 Ų3050 Ų5016%0.1626%0.261CS..  trans-95.5115.8-178.3-67.3-86.8000109.4Y174 K211 L212 T213 Y399 P401 F402Y174-N177 PolarHBondContact O-ND2 2.73Å; N177-K211 CarbonylContact C-O 3.44Å; N177-K211 WeakPolarHBondContact CA-O 3.32Å; N177-L212 HydrophobicContact CB-CD2 4.03Å; N177-T213 VanDerWaalsContact OD1-CB 3.22Å; N177-T213 WeakPolarHBondContact OD1-CB 3.27Å; N177-T213 PolarHBondContact OD1-N 2.94Å; N177-T213 PolarHBondContact OD1-OG1 2.81Å; N177-Y399 HydrophobicContact CB-CD2 3.62Å; N177-Y399 HydrophobicContact CB-CE2 3.35Å; N177-Y399 VanDerWaalsContact CG-CE2 3.5Å; N177-P401 HydrophobicContact CB-CB 4.26Å; N177-P401 CarbonylContact O-C 3.47Å; N177-P401 VanDerWaalsContact O-CA 3.24Å; N177-P401 WeakPolarHBondContact O-CA 3.25Å; N177-P401 WeakPolarHBondContact O-CB 3.4Å; N177-F402 PolarHBondContact O-N 2.88Å
178E97.5Very high93.9Very high40 Ų4050.4 Ų50.419%0.18727%0.265CS..EExtended strand (participates in β ladder)trans-140.5143.9-172.757.6-178.6-167.400111.9Y180 K211 F402E178-Y180 HydrophobicContact CB-CD2 4.49Å; E178-Y180 HydrophobicContact CB-CE2 3.78Å; E178-Y180 VanDerWaalsContact CD-CE2 3.45Å; E178-Y180 HydrophobicContact CG-CE2 3.81Å; E178-Y180 VanDerWaalsContact OE2-CE2 3.26Å; E178-Y180 WeakPolarHBondContact OE2-CE2 3.46Å; E178-Y180 PolarHBondContact OE2-OH 3.26Å; E178-K211 HydrophobicContact CG-CB 3.94Å; E178-K211 HydrophobicContact CG-CD 4.32Å; E178-K211 HydrophobicContact CG-CG 4.49Å; E178-K211 PolarHBondContact N-O 2.79Å; E178-K211 CarbonylContact O-C 3.52Å; E178-K211 PolarHBondContact O-N 3.26Å; E178-K211 WeakPolarHBondContact OE1-CD 3.49Å; E178-K211 IonicContact OE1-NZ 2.62Å; E178-K211 PolarHBondContact OE1-NZ 3.12Å; E178-F402 CarbonylContact C-O 3.49Å; E178-F402 WeakPolarHBondContact CA-O 3.41Å; E178-F402 HydrophobicContact CB-CB 4.22Å
179A97.9Very high94.2Very high1 Ų150.4 Ų50.41%0.00827%0.265CS..EExtended strand (participates in β ladder)trans-135.6118.2173.300000109.7F181 C209 V210 L212 F402 K403 G404A179-F181 HydrophobicContact CB-CE2 3.95Å; A179-C209 WeakPolarHBondContact CA-O 3.34Å; A179-V210 HydrophobicContact CB-CG2 4.36Å; A179-L212 HydrophobicContact CB-CD1 4.33Å; A179-F402 PolarHBondContact N-O 3.1Å; A179-K403 CarbonylContact O-C 3.54Å; A179-K403 WeakPolarHBondContact O-CA 3.39Å; A179-G404 PolarHBondContact O-N 3.27Å
180Y98.2Very high94.9Very high67 Ų6748.8 Ų48.826%0.26326%0.262SS..EExtended strand (participates in β ladder)trans-111.3141.9176.4-60-90.1000110.6E178 A208 C209 F402 G404E178-Y180 HydrophobicContact CB-CD2 4.49Å; E178-Y180 HydrophobicContact CB-CE2 3.78Å; E178-Y180 VanDerWaalsContact CD-CE2 3.45Å; E178-Y180 HydrophobicContact CG-CE2 3.81Å; E178-Y180 VanDerWaalsContact OE2-CE2 3.26Å; E178-Y180 WeakPolarHBondContact OE2-CE2 3.46Å; E178-Y180 PolarHBondContact OE2-OH 3.26Å; Y180-A208 CarbonylContact O-C 3.46Å; Y180-A208 VanDerWaalsContact O-CA 3.25Å; Y180-A208 WeakPolarHBondContact O-CA 3.45Å; Y180-C209 PolarHBondContact N-O 2.85Å; Y180-C209 PolarHBondContact O-N 3.37Å; Y180-F402 HydrophobicContact CD1-CE1 4.32Å; Y180-F402 AromaticContact CE1-CD1 3.85Å; Y180-F402 HydrophobicContact CE1-CD1 3.85Å; Y180-F402 AromaticContact CE1-CE1 3.43Å; Y180-F402 HydrophobicContact CE1-CE1 3.43Å; Y180-F402 VanDerWaalsContact CE1-CE1 3.43Å; Y180-F402 AromaticContact CZ-CD1 3.76Å; Y180-F402 AromaticContact CZ-CE1 3.79Å; Y180-G404 CarbonylContact C-O 3.56Å; Y180-G404 VanDerWaalsContact CA-O 3.29Å; Y180-G404 WeakPolarHBondContact CA-O 3.17Å
181F98.4Very high95.6Very high0 Ų045.8 Ų45.80%024%0.243CC..EExtended strand (participates in β ladder)trans-129.8120.7174.7-61-93.3000109.3A179 I206 D207 A208 V210 L218 L220 F250 L259 L392 G404 I405 K406A179-F181 HydrophobicContact CB-CE2 3.95Å; F181-I206 HydrophobicContact CB-CG2 4.27Å; F181-I206 HydrophobicContact CD1-CG2 4.17Å; F181-D207 CarbonylContact C-O 3.47Å; F181-D207 WeakPolarHBondContact CA-O 3.47Å; F181-A208 HydrophobicContact CD1-CB 3.74Å; F181-A208 HydrophobicContact CE1-CB 3.74Å; F181-V210 HydrophobicContact CZ-CG2 4.41Å; F181-L218 HydrophobicContact CZ-CD1 4.16Å; F181-L220 HydrophobicContact CD1-CD1 4.06Å; F181-L220 HydrophobicContact CE1-CD1 4.22Å; F181-L220 HydrophobicContact CG-CD1 4.24Å; F181-F250 HydrophobicContact CE1-CE2 4.38Å; F181-F250 AromaticContact CE1-CZ 3.95Å; F181-F250 HydrophobicContact CE1-CZ 3.95Å; F181-F250 HydrophobicContact CZ-CZ 4.13Å; F181-L259 HydrophobicContact CD1-CD2 4.16Å; F181-L259 HydrophobicContact CE1-CD2 3.96Å; F181-L392 HydrophobicContact CD2-CD2 3.94Å; F181-L392 HydrophobicContact CE2-CD1 4.21Å; F181-L392 HydrophobicContact CE2-CD2 3.35Å; F181-L392 HydrophobicContact CE2-CG 4.43Å; F181-L392 HydrophobicContact CZ-CD1 4.28Å; F181-L392 HydrophobicContact CZ-CD2 4.19Å; F181-G404 PolarHBondContact N-O 3.15Å; F181-I405 HydrophobicContact CB-CG1 4.49Å; F181-I405 CarbonylContact O-C 3.52Å; F181-I405 VanDerWaalsContact O-CA 3.24Å; F181-I405 WeakPolarHBondContact O-CA 3.38Å; F181-K406 PolarHBondContact O-N 3.4Å
182D98.3Very high96.2Very high59 Ų5945.1 Ų45.132%0.31623%0.225SC..EExtended strand (participates in β ladder)trans-105110.3177.4-68.6-20.7000108.4I184 I206 D207 K406D182-I184 HydrophobicContact CB-CD1 4.28Å; D182-I184 HydrophobicContact CB-CG1 4.25Å; D182-I206 WeakPolarHBondContact O-CA 3.24Å; D182-D207 PolarHBondContact N-O 3.13Å; D182-D207 PolarHBondContact O-N 2.93Å; D182-K406 WeakPolarHBondContact OD1-CB 3.41Å
183V98.4Very high96.4Very high1 Ų151.9 Ų51.91%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-86.2108.5172.8-176.40000107.6I206 Y262 A383 L387 I405 K406 Y407 M408V183-I206 HydrophobicContact CG2-CD1 4.38Å; V183-I206 HydrophobicContact CG2-CG1 4.25Å; V183-Y262 WeakPolarHBondContact CG1-OH 3.38Å; V183-A383 HydrophobicContact CG1-CB 4.36Å; V183-L387 HydrophobicContact CG1-CD2 4.04Å; V183-I405 HydrophobicContact CG2-CG2 4.45Å; V183-K406 PolarHBondContact N-O 2.85Å; V183-Y407 HydrophobicContact CB-CD1 3.64Å; V183-Y407 HydrophobicContact CB-CE1 4Å; V183-Y407 HydrophobicContact CB-CG 4.43Å; V183-Y407 HydrophobicContact CG1-CD1 3.99Å; V183-Y407 HydrophobicContact CG1-CE1 4.33Å; V183-Y407 HydrophobicContact CG2-CD1 3.95Å; V183-Y407 HydrophobicContact CG2-CE1 3.79Å; V183-Y407 CarbonylContact O-C 3.57Å; V183-Y407 VanDerWaalsContact O-CA 3.3Å; V183-Y407 WeakPolarHBondContact O-CA 3.24Å; V183-M408 PolarHBondContact O-N 3.26Å
184I98.4Very high96.4Very high30 Ų3047.4 Ų47.415%0.15425%0.245CC..EExtended strand (participates in β ladder)trans-116.2122.2-175.8-54.9169000108.2D182 G204 V205 M408D182-I184 HydrophobicContact CB-CD1 4.28Å; D182-I184 HydrophobicContact CB-CG1 4.25Å; I184-G204 CarbonylContact O-C 3.58Å; I184-G204 WeakPolarHBondContact O-CA 3.05Å; I184-V205 HydrophobicContact CB-CG2 3.81Å; I184-V205 HydrophobicContact CD1-CG2 4.48Å; I184-V205 PolarHBondContact N-O 2.72Å; I184-V205 PolarHBondContact O-N 2.84Å; I184-M408 CarbonylContact C-O 3.47Å; I184-M408 WeakPolarHBondContact CA-O 3.39Å; I184-M408 HydrophobicContact CB-CE 4.44Å; I184-M408 HydrophobicContact CD1-CE 4.19Å; I184-M408 HydrophobicContact CG1-CE 4.04Å; I184-M408 HydrophobicContact CG2-CE 3.63Å
185E97.8Very high96.3Very high0 Ų045.5 Ų45.50%025%0.246CC..EExtended strand (participates in β ladder)trans-115.1133.1177.5-72.7-175.1170.200110.6I202 Q203 Y262 A383 I384 S385 M408 T409 K410E185-I202 HydrophobicContact CB-CG2 3.72Å; E185-I202 HydrophobicContact CG-CG2 3.76Å; E185-Q203 WeakPolarHBondContact CA-O 3.47Å; E185-Y262 VanDerWaalsContact CG-OH 3.26Å; E185-Y262 WeakPolarHBondContact CG-OH 3.28Å; E185-Y262 PolarHBondContact OE1-OH 2.95Å; E185-A383 HydrophobicContact CG-CB 4.46Å; E185-A383 VanDerWaalsContact OE2-CA 3.31Å; E185-A383 WeakPolarHBondContact OE2-CA 3.48Å; E185-I384 WeakPolarHBondContact OE2-CG2 3.41Å; E185-I384 PolarHBondContact OE2-N 2.9Å; E185-S385 WeakPolarHBondContact OE1-CB 3.49Å; E185-S385 PolarHBondContact OE1-OG 3.08Å; E185-S385 PolarHBondContact OE2-N 3.34Å; E185-M408 PolarHBondContact N-O 2.67Å; E185-T409 CarbonylContact O-C 3.59Å; E185-T409 VanDerWaalsContact O-CA 3.26Å; E185-T409 WeakPolarHBondContact O-CA 3.24Å; E185-K410 PolarHBondContact O-N 3.14Å
186E97.6Very high96.2Very high58 Ų5841.8 Ų41.827%0.27123%0.226SC..EExtended strand (participates in β ladder)trans-107.6125.8171.4-170.8166.6130.800108.6I202 Q203 K410 G412E186-I202 WeakPolarHBondContact O-CA 3.25Å; E186-Q203 HydrophobicContact CB-CB 4.39Å; E186-Q203 PolarHBondContact N-O 3.07Å; E186-Q203 PolarHBondContact O-N 2.92Å; E186-K410 WeakPolarHBondContact CA-O 3.41Å; E186-K410 HydrophobicContact CB-CG 4.34Å; E186-K410 HydrophobicContact CG-CG 4.42Å; E186-K410 WeakPolarHBondContact OE2-CE 3.44Å; E186-K410 IonicContact OE2-NZ 3.97Å; E186-K410 PolarHBondContact OE2-NZ 2.96Å; E186-G412 WeakPolarHBondContact OE1-CA 3.29Å
187I96.1Very high96.1Very high0 Ų038.9 Ų38.90%021%0.213CC..EExtended strand (participates in β ladder)trans-101.4116.2177.9-175.6173.4000110.6A189 V270 I272 P273 F377 T409 K410 G412 F414I187-A189 HydrophobicContact CG1-CB 4.44Å; I187-V270 HydrophobicContact CD1-CG1 3.81Å; I187-V270 HydrophobicContact CG1-CG1 4.36Å; I187-I272 HydrophobicContact CD1-CD1 4.16Å; I187-P273 HydrophobicContact CD1-CG 4.43Å; I187-F377 HydrophobicContact CG2-CE2 4.19Å; I187-F377 HydrophobicContact CG2-CZ 3.72Å; I187-T409 HydrophobicContact CG2-CG2 4.3Å; I187-K410 PolarHBondContact N-O 3.18Å; I187-G412 PolarHBondContact O-N 2.87Å; I187-F414 HydrophobicContact CD1-CE2 4.48Å; I187-F414 HydrophobicContact CG2-CD2 4.25Å
188D95.3Very high95.9Very high37 Ų3741.6 Ų41.620%0.19823%0.226CC..EExtended strand (participates in β ladder)trans-94.4126.4168.2-70.5-29.5000108A200 E201 G412 K413D188-A200 CarbonylContact O-C 3.5Å; D188-A200 VanDerWaalsContact O-CA 3.27Å; D188-A200 WeakPolarHBondContact O-CA 3.31Å; D188-E201 PolarHBondContact N-O 3.21Å; D188-E201 PolarHBondContact O-N 2.9Å; D188-G412 WeakPolarHBondContact OD1-CA 3.42Å; D188-K413 PolarHBondContact OD1-N 3.44Å
189A95.1Very high95.7Very high1 Ų142.5 Ų42.51%0.00824%0.235CC..EExtended strand (participates in β ladder)trans-150.7140.6-178.700000112.2I187 I191 T199 A200 I272 K413 F414 Q415I187-A189 HydrophobicContact CG1-CB 4.44Å; A189-I191 HydrophobicContact CB-CD1 4.34Å; A189-T199 CarbonylContact C-O 3.57Å; A189-T199 VanDerWaalsContact CA-O 3.27Å; A189-T199 WeakPolarHBondContact CA-O 3.44Å; A189-A200 HydrophobicContact CB-CB 4.24Å; A189-I272 HydrophobicContact CB-CD1 4.16Å; A189-K413 PolarHBondContact N-O 3.05Å; A189-F414 HydrophobicContact CB-CD2 3.8Å; A189-F414 HydrophobicContact CB-CE2 3.79Å; A189-F414 HydrophobicContact CB-CG 4.48Å; A189-F414 HydrophobicContact CB-CZ 4.46Å; A189-Q415 PolarHBondContact O-N 3.18Å
190I96.1Very high95.4Very high44 Ų4442.8 Ų42.823%0.22624%0.237CC..EExtended strand (participates in β ladder)trans-115.8116.9168.1-55.6177.1000107.8I198 T199 Q415 R417I190-I198 HydrophobicContact CB-CB 4.39Å; I190-I198 HydrophobicContact CG2-CB 4.37Å; I190-I198 HydrophobicContact CG2-CD1 4.01Å; I190-I198 WeakPolarHBondContact O-CB 3.12Å; I190-I198 PolarHBondContact O-N 3.35Å; I190-T199 WeakPolarHBondContact CG1-OG1 3.37Å; I190-T199 PolarHBondContact N-O 3.22Å; I190-T199 PolarHBondContact O-N 3.28Å; I190-Q415 WeakPolarHBondContact CA-O 3.36Å; I190-R417 HydrophobicContact CG2-CG 4.26Å
191I96.1Very high95.2Very high10 Ų1043.2 Ų43.25%0.05124%0.242CC..EExtended strand (participates in β ladder)trans-104.4135.6177.1-48.4-57000108.6A189 S196 T197 I272 F414 Q415 V416 R417A189-I191 HydrophobicContact CB-CD1 4.34Å; I191-S196 CarbonylContact C-O 3.6Å; I191-S196 WeakPolarHBondContact CA-O 3.4Å; I191-T197 HydrophobicContact CD1-CG2 4.19Å; I191-I272 HydrophobicContact CD1-CD1 4.1Å; I191-I272 HydrophobicContact CD1-CG1 4.13Å; I191-I272 HydrophobicContact CD1-CG2 4.26Å; I191-F414 HydrophobicContact CG1-CE1 4.28Å; I191-F414 HydrophobicContact CG1-CZ 4.25Å; I191-Q415 PolarHBondContact N-O 3.04Å; I191-V416 HydrophobicContact CB-CB 4.45Å; I191-V416 HydrophobicContact CB-CG1 4.28Å; I191-V416 HydrophobicContact CB-CG2 4.12Å; I191-V416 HydrophobicContact CG1-CG2 4.33Å; I191-V416 HydrophobicContact CG2-CG1 4.45Å; I191-V416 WeakPolarHBondContact O-CA 3.38Å; I191-R417 PolarHBondContact O-N 3.5Å
192D95.3Very high95.1Very high46 Ų4643.3 Ų43.325%0.24624%0.242CC..  trans-78.5174175.881.73.7000112.6S194 G195 S196 I198 R417D192-S194 VanDerWaalsContact CG-OG 3.25Å; D192-S194 PolarHBondContact O-N 2.95Å; D192-S194 VanDerWaalsContact O-N 3.12Å; D192-S194 VanDerWaalsContact OD1-CA 3.29Å; D192-S194 WeakPolarHBondContact OD1-CA 3.46Å; D192-S194 WeakPolarHBondContact OD1-CB 3.3Å; D192-S194 PolarHBondContact OD1-N 2.89Å; D192-S194 PolarHBondContact OD1-OG 2.77Å; D192-S194 PolarHBondContact OD2-OG 3.08Å; D192-S194 VanDerWaalsContact OD2-OG 3.11Å; D192-G195 PolarHBondContact O-N 2.97Å; D192-G195 PolarHBondContact OD1-N 3.4Å; D192-S196 PolarHBondContact N-O 3.17Å; D192-S196 WeakPolarHBondContact OD1-CB 3.38Å; D192-S196 PolarHBondContact OD1-N 3.5Å; D192-I198 HydrophobicContact CB-CD1 3.78Å; D192-I198 HydrophobicContact CB-CG1 3.87Å; D192-R417 CarbonylContact C-O 3.51Å
193K93.5Very high95Very high156 Ų15644.7 Ų44.768%0.67825%0.247SC*.THydrogen-bonded Turntrans-62.4-16.3178.969.1-178.8-178.3-175.90115.1H278 R417K193-H278 PolarHBondContact O-NE2 2.81Å; K193-R417 WeakPolarHBondContact CA-O 3.48Å; K193-R417 PolarHBondContact N-O 2.95Å; K193-R417 VanDerWaalsContact N-O 3.14Å
194S93.1Very high95Very high83 Ų8344.7 Ų44.758%0.5825%0.247SC*.THydrogen-bonded Turntrans-89.2-9.917677.30000112.4D192 S196D192-S194 VanDerWaalsContact CG-OG 3.25Å; D192-S194 PolarHBondContact O-N 2.95Å; D192-S194 VanDerWaalsContact O-N 3.12Å; D192-S194 VanDerWaalsContact OD1-CA 3.29Å; D192-S194 WeakPolarHBondContact OD1-CA 3.46Å; D192-S194 WeakPolarHBondContact OD1-CB 3.3Å; D192-S194 PolarHBondContact OD1-N 2.89Å; D192-S194 PolarHBondContact OD1-OG 2.77Å; D192-S194 PolarHBondContact OD2-OG 3.08Å; D192-S194 VanDerWaalsContact OD2-OG 3.11Å; S194-S196 PolarHBondContact OG-OG 2.86Å
195G91.3Very high95Very high29 Ų2944.5 Ų44.530%0.29925%0.247SC..SBendtrans87.811.5-172.400000113.8D192D192-G195 PolarHBondContact O-N 2.97Å; D192-G195 PolarHBondContact OD1-N 3.4Å
196S92.9Very high95Very high63 Ų6344.5 Ų44.544%0.44125%0.247SC..  trans-85.6140.8176.7-57.80000110.6I191 D192 S194 I198I191-S196 CarbonylContact C-O 3.6Å; I191-S196 WeakPolarHBondContact CA-O 3.4Å; D192-S196 PolarHBondContact N-O 3.17Å; D192-S196 WeakPolarHBondContact OD1-CB 3.38Å; D192-S196 PolarHBondContact OD1-N 3.5Å; S194-S196 PolarHBondContact OG-OG 2.86Å; S196-I198 PolarHBondContact O-N 2.9Å
197T93.3Very high95Very high62 Ų6243.9 Ų43.938%0.3825%0.245SC..EExtended strand (participates in β ladder)trans-75121178.1-51.80000109.8I191 T199 A200 I272I191-T197 HydrophobicContact CD1-CG2 4.19Å; T197-T199 WeakPolarHBondContact CG2-O 3.35Å; T197-A200 HydrophobicContact CG2-CB 3.55Å; T197-I272 HydrophobicContact CG2-CD1 4.1Å; T197-I272 HydrophobicContact CG2-CG1 4.41Å; T197-I272 WeakPolarHBondContact OG1-CG1 3.45Å
198I93.4Very high95.1Very high86 Ų8644.1 Ų44.144%0.44125%0.247SC..EExtended strand (participates in β ladder)trans-84.1-52.9170.9-57.4178.5000109.1I190 D192 S196I190-I198 HydrophobicContact CB-CB 4.39Å; I190-I198 HydrophobicContact CG2-CB 4.37Å; I190-I198 HydrophobicContact CG2-CD1 4.01Å; I190-I198 WeakPolarHBondContact O-CB 3.12Å; I190-I198 PolarHBondContact O-N 3.35Å; D192-I198 HydrophobicContact CB-CD1 3.78Å; D192-I198 HydrophobicContact CB-CG1 3.87Å; S196-I198 PolarHBondContact O-N 2.9Å
199T92.7Very high95.2Very high60 Ų6043.6 Ų43.637%0.36825%0.246SC..EExtended strand (participates in β ladder)trans-136.7145174.760.80000109.1A189 I190 T197A189-T199 CarbonylContact C-O 3.57Å; A189-T199 VanDerWaalsContact CA-O 3.27Å; A189-T199 WeakPolarHBondContact CA-O 3.44Å; I190-T199 WeakPolarHBondContact CG1-OG1 3.37Å; I190-T199 PolarHBondContact N-O 3.22Å; I190-T199 PolarHBondContact O-N 3.28Å; T197-T199 WeakPolarHBondContact CG2-O 3.35Å
200A92.8Very high95.3Very high6 Ų643.5 Ų43.55%0.0525%0.246CC..EExtended strand (participates in β ladder)trans-152.8127.5169.700000109.3D188 A189 T197 A266 V270 I272D188-A200 CarbonylContact O-C 3.5Å; D188-A200 VanDerWaalsContact O-CA 3.27Å; D188-A200 WeakPolarHBondContact O-CA 3.31Å; A189-A200 HydrophobicContact CB-CB 4.24Å; T197-A200 HydrophobicContact CG2-CB 3.55Å; A200-A266 WeakPolarHBondContact O-CA 3.34Å; A200-A266 VanDerWaalsContact O-CB 3.31Å; A200-A266 WeakPolarHBondContact O-CB 3.35Å; A200-V270 HydrophobicContact CB-CB 3.72Å; A200-V270 HydrophobicContact CB-CG1 3.86Å; A200-V270 HydrophobicContact CB-CG2 4.35Å; A200-V270 WeakPolarHBondContact O-CG2 2.96Å; A200-I272 HydrophobicContact CB-CD1 3.79Å
201E93.5Very high95.3Very high77 Ų7744.8 Ų44.836%0.3625%0.25SC..EExtended strand (participates in β ladder)trans-137.7152-177.1-73.2178.1-169.200109D188 H263 A266D188-E201 PolarHBondContact N-O 3.21Å; D188-E201 PolarHBondContact O-N 2.9Å; E201-H263 IonicContact OE2-CE1 2.73Å; E201-H263 PolarHBondContact OE2-CE1 3.44Å; E201-A266 HydrophobicContact CG-CB 4.17Å
202I95.9Very high95.3Very high1 Ų144.3 Ų44.31%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-119.3125.3177.1-55164.5000108.6E185 E186 H263 V264 V270 I384E185-I202 HydrophobicContact CB-CG2 3.72Å; E185-I202 HydrophobicContact CG-CG2 3.76Å; E186-I202 WeakPolarHBondContact O-CA 3.25Å; I202-H263 WeakPolarHBondContact O-CA 3.39Å; I202-H263 PolarHBondContact O-ND1 3.42Å; I202-V264 HydrophobicContact CB-CB 3.96Å; I202-V264 HydrophobicContact CB-CG2 4.01Å; I202-V264 HydrophobicContact CD1-CB 4.21Å; I202-V264 HydrophobicContact CD1-CG2 4.37Å; I202-V264 HydrophobicContact CG1-CB 4.5Å; I202-V264 HydrophobicContact CG2-CG2 4.34Å; I202-V264 PolarHBondContact N-O 3.31Å; I202-V264 PolarHBondContact O-N 3.45Å; I202-V270 HydrophobicContact CD1-CG1 3.97Å; I202-V270 HydrophobicContact CD1-CG2 4.15Å; I202-V270 HydrophobicContact CG1-CG1 3.91Å; I202-V270 HydrophobicContact CG1-CG2 4.19Å; I202-I384 HydrophobicContact CD1-CG2 3.72Å; I202-I384 HydrophobicContact CG1-CG2 4.03Å; I202-I384 HydrophobicContact CG2-CG2 4.46Å
203Q96.8Very high95.4Very high89 Ų8943.6 Ų43.642%0.41624%0.244SC..EExtended strand (participates in β ladder)trans-101.4114.5168.5-67.4-68.5-17.200108.2E185 E186 H263E185-Q203 WeakPolarHBondContact CA-O 3.47Å; E186-Q203 HydrophobicContact CB-CB 4.39Å; E186-Q203 PolarHBondContact N-O 3.07Å; E186-Q203 PolarHBondContact O-N 2.92Å; Q203-H263 PolarHBondContact NE2-ND1 2.94Å; Q203-H263 VanDerWaalsContact NE2-ND1 3.11Å
204G97.4Very high95.3Very high1 Ų136.8 Ų36.81%0.0122%0.218CC..EExtended strand (participates in β ladder)trans-112.4144.1-175.300000112.7I184 S261 Y262I184-G204 CarbonylContact O-C 3.58Å; I184-G204 WeakPolarHBondContact O-CA 3.05Å; G204-S261 CarbonylContact O-C 3.6Å; G204-S261 VanDerWaalsContact O-CA 3.26Å; G204-S261 WeakPolarHBondContact O-CA 3.35Å; G204-Y262 VanDerWaalsContact CA-CE1 3.48Å; G204-Y262 VanDerWaalsContact CA-CZ 3.49Å; G204-Y262 PolarHBondContact N-O 2.83Å; G204-Y262 WeakPolarHBondContact O-CD1 3.48Å; G204-Y262 PolarHBondContact O-N 3.47Å
205V98.4Very high95.4Very high25 Ų2535.6 Ų35.615%0.15220%0.204CC..EExtended strand (participates in β ladder)trans-133149.5169.7-57.70000110.2I184 L260I184-V205 HydrophobicContact CB-CG2 3.81Å; I184-V205 HydrophobicContact CD1-CG2 4.48Å; I184-V205 PolarHBondContact N-O 2.72Å; I184-V205 PolarHBondContact O-N 2.84Å; V205-L260 WeakPolarHBondContact CA-O 3.25Å
206I98.4Very high95.6Very high1 Ų134.2 Ų34.21%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-118102.5168.1-55.6-175.8000107.1F181 D182 V183 F222 L259 L260 Y262F181-I206 HydrophobicContact CB-CG2 4.27Å; F181-I206 HydrophobicContact CD1-CG2 4.17Å; D182-I206 WeakPolarHBondContact O-CA 3.24Å; V183-I206 HydrophobicContact CG2-CD1 4.38Å; V183-I206 HydrophobicContact CG2-CG1 4.25Å; I206-F222 HydrophobicContact CD1-CE1 3.69Å; I206-F222 HydrophobicContact CD1-CZ 3.51Å; I206-L259 HydrophobicContact CG2-CB 4.44Å; I206-L259 HydrophobicContact CG2-CD2 4.29Å; I206-L259 WeakPolarHBondContact O-CB 3.22Å; I206-L259 PolarHBondContact O-N 3.02Å; I206-L260 HydrophobicContact CB-CD1 4.15Å; I206-L260 HydrophobicContact CB-CG 4.14Å; I206-L260 HydrophobicContact CD1-CD1 3.78Å; I206-L260 HydrophobicContact CD1-CD2 4.19Å; I206-L260 HydrophobicContact CD1-CG 4.06Å; I206-L260 HydrophobicContact CG1-CD1 3.71Å; I206-L260 HydrophobicContact CG1-CG 4.15Å; I206-L260 PolarHBondContact N-O 3.35Å; I206-L260 PolarHBondContact O-N 2.92Å; I206-Y262 HydrophobicContact CG1-CE1 4.12Å
207D98.2Very high95.8Very high44 Ų4432.9 Ų32.924%0.23518%0.178CC..EExtended strand (participates in β ladder)trans-92.6139.2174.4-68.3-24.2000108.7F181 D182 R258F181-D207 CarbonylContact C-O 3.47Å; F181-D207 WeakPolarHBondContact CA-O 3.47Å; D182-D207 PolarHBondContact N-O 3.13Å; D182-D207 PolarHBondContact O-N 2.93Å; D207-R258 WeakPolarHBondContact OD1-CA 3.33Å; D207-R258 WeakPolarHBondContact OD1-CB 3.36Å; D207-R258 WeakPolarHBondContact OD1-CG 3.5Å; D207-R258 IonicContact OD1-CZ 2.77Å; D207-R258 IonicContact OD1-NE 3.3Å; D207-R258 PolarHBondContact OD1-NE 2.74Å; D207-R258 IonicContact OD1-NH2 3.66Å; D207-R258 PolarHBondContact OD1-NH2 2.93Å; D207-R258 IonicContact OD2-NE 3.1Å; D207-R258 IonicContact OD2-NH2 2.71Å; D207-R258 PolarHBondContact OD2-NH2 3.46Å; D207-R258 VanDerWaalsContact OD2-NH2 3.12Å
208A98Very high96Very high5 Ų530 Ų304%0.04116%0.161CC..EExtended strand (participates in β ladder)trans-124.3141.3-174.300000110.9Y180 F181 V210 N256 F257Y180-A208 CarbonylContact O-C 3.46Å; Y180-A208 VanDerWaalsContact O-CA 3.25Å; Y180-A208 WeakPolarHBondContact O-CA 3.45Å; F181-A208 HydrophobicContact CD1-CB 3.74Å; F181-A208 HydrophobicContact CE1-CB 3.74Å; A208-V210 HydrophobicContact CB-CG2 4.26Å; A208-N256 CarbonylContact O-C 3.49Å; A208-N256 VanDerWaalsContact O-CA 3.28Å; A208-N256 WeakPolarHBondContact O-CA 3.27Å; A208-F257 HydrophobicContact CB-CD1 4.16Å; A208-F257 HydrophobicContact CB-CE1 3.64Å; A208-F257 HydrophobicContact CB-CE2 4.32Å; A208-F257 HydrophobicContact CB-CZ 3.71Å; A208-F257 PolarHBondContact N-O 3.49Å; A208-F257 PolarHBondContact O-N 2.96Å
209C97Very high96.2Very high26 Ų2626.3 Ų26.318%0.17614%0.142CC..EExtended strand (participates in β ladder)trans-119.3105.6167.2-175.20000108.1A179 Y180 G255 N256A179-C209 WeakPolarHBondContact CA-O 3.34Å; Y180-C209 PolarHBondContact N-O 2.85Å; Y180-C209 PolarHBondContact O-N 3.37Å; C209-G255 CarbonylContact C-O 3.57Å; C209-G255 WeakPolarHBondContact CA-O 3.26Å; C209-N256 VanDerWaalsContact CB-OD1 3.3Å; C209-N256 WeakPolarHBondContact CB-OD1 3.46Å; C209-N256 PolarHBondContact SG-OD1 3.39Å
210V97.1Very high96.5Very high0 Ų023.4 Ų23.40%012%0.124CC..EExtended strand (participates in β ladder)trans-115.7111.8-174.2-178.50000110.3A179 F181 A208 L212 P252 G255 F257A179-V210 HydrophobicContact CB-CG2 4.36Å; F181-V210 HydrophobicContact CZ-CG2 4.41Å; A208-V210 HydrophobicContact CB-CG2 4.26Å; V210-L212 HydrophobicContact CG1-CB 4.01Å; V210-L212 HydrophobicContact CG1-CD1 3.54Å; V210-L212 HydrophobicContact CG1-CG 3.53Å; V210-P252 HydrophobicContact CB-CB 4.16Å; V210-P252 HydrophobicContact CB-CG 4.36Å; V210-P252 HydrophobicContact CG1-CB 3.99Å; V210-P252 HydrophobicContact CG1-CG 3.63Å; V210-P252 HydrophobicContact CG2-CB 3.97Å; V210-P252 HydrophobicContact CG2-CG 4.39Å; V210-G255 PolarHBondContact N-O 3.4Å; V210-G255 PolarHBondContact O-N 3Å; V210-F257 HydrophobicContact CB-CE1 4.25Å; V210-F257 HydrophobicContact CG2-CE1 3.73Å; V210-F257 HydrophobicContact CG2-CZ 4.33Å
211K96.7Very high96.7Very high71 Ų7124 Ų2431%0.30913%0.128SC..EExtended strand (participates in β ladder)trans-118.180.6174.1-61.4-176.5-156.31490108.7Y174 N177 E178Y174-K211 HydrophobicContact CD1-CB 3.96Å; Y174-K211 HydrophobicContact CD1-CD 4.48Å; Y174-K211 HydrophobicContact CD2-CB 4Å; Y174-K211 HydrophobicContact CE1-CB 3.78Å; Y174-K211 HydrophobicContact CE1-CD 4.05Å; Y174-K211 HydrophobicContact CE1-CG 3.96Å; Y174-K211 VanDerWaalsContact CE2-CA 3.44Å; Y174-K211 HydrophobicContact CE2-CB 3.78Å; Y174-K211 HydrophobicContact CE2-CG 4.46Å; Y174-K211 HydrophobicContact CG-CB 4.06Å; N177-K211 CarbonylContact C-O 3.44Å; N177-K211 WeakPolarHBondContact CA-O 3.32Å; E178-K211 HydrophobicContact CG-CB 3.94Å; E178-K211 HydrophobicContact CG-CD 4.32Å; E178-K211 HydrophobicContact CG-CG 4.49Å; E178-K211 PolarHBondContact N-O 2.79Å; E178-K211 CarbonylContact O-C 3.52Å; E178-K211 PolarHBondContact O-N 3.26Å; E178-K211 WeakPolarHBondContact OE1-CD 3.49Å; E178-K211 IonicContact OE1-NZ 2.62Å; E178-K211 PolarHBondContact OE1-NZ 3.12Å
212L96.5Very high96.8Very high0 Ų020.8 Ų20.80%011%0.113CC..  trans-121.4140.1-175.2-67.5-177.5000109.6R168 V172 N177 A179 V210 P216 L218 M394 Y399 P401R168-L212 PolarHBondContact NH2-O 3.5Å; V172-L212 WeakPolarHBondContact CG1-O 3.4Å; N177-L212 HydrophobicContact CB-CD2 4.03Å; A179-L212 HydrophobicContact CB-CD1 4.33Å; V210-L212 HydrophobicContact CG1-CB 4.01Å; V210-L212 HydrophobicContact CG1-CD1 3.54Å; V210-L212 HydrophobicContact CG1-CG 3.53Å; L212-P216 HydrophobicContact CB-CB 4.44Å; L212-P216 HydrophobicContact CB-CG 3.72Å; L212-P216 HydrophobicContact CD1-CB 3.9Å; L212-P216 HydrophobicContact CD1-CG 3.7Å; L212-P216 HydrophobicContact CG-CG 4.38Å; L212-L218 HydrophobicContact CD1-CD1 4.22Å; L212-L218 HydrophobicContact CD1-CD2 4.12Å; L212-M394 HydrophobicContact CD1-SD 4.19Å; L212-Y399 WeakPolarHBondContact CB-OH 3.22Å; 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 4.21Å
213T95.6Very high96.9Very high30 Ų3026.7 Ų26.718%0.18414%0.142CC..SBendtrans-75.3144.2176.7-62.70000110.4V172 K173 Y174 N177 Y399V172-T213 CarbonylContact O-C 3.55Å; V172-T213 VanDerWaalsContact O-CA 3.29Å; V172-T213 WeakPolarHBondContact O-CA 3.43Å; V172-T213 WeakPolarHBondContact O-CG2 3.31Å; K173-T213 HydrophobicContact CG-CG2 4.22Å; Y174-T213 PolarHBondContact N-OG1 2.91Å; Y174-T213 PolarHBondContact O-OG1 3.39Å; N177-T213 VanDerWaalsContact OD1-CB 3.22Å; N177-T213 WeakPolarHBondContact OD1-CB 3.27Å; N177-T213 PolarHBondContact OD1-N 2.94Å; N177-T213 PolarHBondContact OD1-OG1 2.81Å; T213-Y399 HydrophobicContact CG2-CE1 4.46Å; T213-Y399 PolarHBondContact N-OH 3.29Å; T213-Y399 PolarHBondContact O-OH 2.79Å
214G93.1Very high96.7Very high13 Ų1325 Ų2513%0.13414%0.135CC..SBendtrans72.9-141.5174.100000114R168 V172 P216 E397R168-G214 VanDerWaalsContact CZ-O 3.32Å; R168-G214 PolarHBondContact NE-O 2.78Å; R168-G214 PolarHBondContact NH2-O 2.83Å; V172-G214 PolarHBondContact O-N 2.79Å; G214-P216 VanDerWaalsContact C-CD 3.43Å; G214-P216 WeakPolarHBondContact O-CD 3.37Å; G214-E397 WeakPolarHBondContact CA-OE1 3.42Å
215M93.4Very high96.4Very high58 Ų5826.1 Ų26.129%0.28614%0.143SC..  trans-121.967.4-174.8-65.8-63.6-74.200110.5V165 R168 D217 I251 E397V165-M215 HydrophobicContact CB-CE 4.16Å; V165-M215 HydrophobicContact CG1-CE 4.03Å; V165-M215 HydrophobicContact CG2-CE 4.4Å; R168-M215 HydrophobicContact CB-CE 4.48Å; R168-M215 HydrophobicContact CG-CE 4.5Å; R168-M215 HydrophobicContact CG-SD 3.98Å; M215-D217 PolarHBondContact O-N 2.7Å; M215-I251 HydrophobicContact CE-CG2 4.08Å; M215-E397 PolarHBondContact N-OE1 3.21Å
216P95.9Very high96Very high0 Ų034.4 Ų34.40%017%0.171CC..  trans-65.7131.9-178.130.7-38000111.1L212 G214 L218 P252 M394 E397L212-P216 HydrophobicContact CB-CB 4.44Å; L212-P216 HydrophobicContact CB-CG 3.72Å; L212-P216 HydrophobicContact CD1-CB 3.9Å; L212-P216 HydrophobicContact CD1-CG 3.7Å; L212-P216 HydrophobicContact CG-CG 4.38Å; G214-P216 VanDerWaalsContact C-CD 3.43Å; G214-P216 WeakPolarHBondContact O-CD 3.37Å; P216-L218 HydrophobicContact CB-CD2 4.41Å; P216-P252 HydrophobicContact CG-CG 4.24Å; P216-P252 WeakPolarHBondContact O-CD 3.3Å; P216-M394 HydrophobicContact CB-CG 3.86Å; P216-M394 HydrophobicContact CB-SD 3.87Å; P216-E397 HydrophobicContact CB-CG 4.2Å
217D96.6Very high95.6Very high36 Ų3635.7 Ų35.719%0.19318%0.178CC..EExtended strand (participates in β ladder)trans-97.6112.8168.9-164.3-26.8000108.1M215 R238 I251 M394 Y395M215-D217 PolarHBondContact O-N 2.7Å; D217-R238 IonicContact OD1-NH2 2.83Å; D217-R238 IonicContact OD2-CZ 3.5Å; D217-R238 IonicContact OD2-NH2 3.46Å; D217-R238 PolarHBondContact OD2-NH2 3.34Å; D217-I251 HydrophobicContact CB-CG1 4.36Å; D217-M394 CarbonylContact O-C 3.1Å; D217-M394 WeakPolarHBondContact O-CA 3.4Å; D217-Y395 PolarHBondContact N-O 3.32Å; D217-Y395 PolarHBondContact O-N 3.17Å
218L98.1Very high95.3Very high2 Ų234.2 Ų34.21%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-98.2143.5-176.6-62-172.2000111.1F181 L212 P216 S249 F250 P252 L392 D393 M394F181-L218 HydrophobicContact CZ-CD1 4.16Å; L212-L218 HydrophobicContact CD1-CD1 4.22Å; L212-L218 HydrophobicContact CD1-CD2 4.12Å; P216-L218 HydrophobicContact CB-CD2 4.41Å; L218-S249 WeakPolarHBondContact O-CA 3.43Å; L218-F250 HydrophobicContact CB-CD2 4.3Å; L218-F250 HydrophobicContact CB-CE1 4.15Å; L218-F250 HydrophobicContact CB-CE2 3.95Å; L218-F250 HydrophobicContact CB-CZ 3.86Å; L218-F250 HydrophobicContact CD1-CE2 3.82Å; L218-F250 HydrophobicContact CD1-CZ 4.1Å; L218-F250 HydrophobicContact CG-CE2 4.4Å; L218-F250 PolarHBondContact N-O 2.86Å; L218-F250 PolarHBondContact O-N 2.96Å; L218-P252 HydrophobicContact CD1-CB 4.36Å; L218-P252 HydrophobicContact CD1-CG 3.72Å; L218-P252 HydrophobicContact CG-CG 4.12Å; L218-L392 HydrophobicContact CB-CD1 4.36Å; L218-D393 WeakPolarHBondContact CA-O 3.33Å; L218-M394 HydrophobicContact CD2-CB 3.63Å; L218-M394 HydrophobicContact CD2-CG 3.66Å
219T98Very high94.9Very high7 Ų736.3 Ų36.34%0.04318%0.181CC..EExtended strand (participates in β ladder)trans-126.2116.6171.2-61.90000109.6I247 L248 L392 D393T219-I247 HydrophobicContact CG2-CG2 3.23Å; T219-L248 CarbonylContact C-O 3.57Å; T219-L248 VanDerWaalsContact CA-O 3.25Å; T219-L248 WeakPolarHBondContact CA-O 3.41Å; T219-L392 CarbonylContact O-C 3.5Å; T219-L392 VanDerWaalsContact O-CA 3.31Å; T219-L392 WeakPolarHBondContact O-CA 3.44Å; T219-D393 PolarHBondContact N-O 3.43Å; T219-D393 PolarHBondContact O-N 3.14Å
220L98.1Very high94.6Very high0 Ų041.7 Ų41.70%021%0.208CC..EExtended strand (participates in β ladder)trans-114.3129.8177.8-170.3152.8000109.9F181 F222 L248 F250 V389 R391 L392F181-L220 HydrophobicContact CD1-CD1 4.06Å; F181-L220 HydrophobicContact CE1-CD1 4.22Å; F181-L220 HydrophobicContact CG-CD1 4.24Å; L220-F222 HydrophobicContact CD2-CD1 4.17Å; L220-F222 HydrophobicContact CD2-CD2 4.25Å; L220-F222 HydrophobicContact CD2-CE1 3.59Å; L220-F222 HydrophobicContact CD2-CE2 3.68Å; L220-F222 HydrophobicContact CD2-CG 4.47Å; L220-F222 HydrophobicContact CD2-CZ 3.31Å; L220-L248 HydrophobicContact CB-CB 4.21Å; L220-L248 HydrophobicContact CB-CD1 4.36Å; L220-L248 HydrophobicContact CD2-CD1 3.88Å; L220-L248 PolarHBondContact N-O 3.05Å; L220-L248 WeakPolarHBondContact O-CB 3.34Å; L220-L248 PolarHBondContact O-N 3.21Å; L220-F250 HydrophobicContact CB-CE1 4.15Å; L220-V389 HydrophobicContact CD1-CG1 4.35Å; L220-V389 HydrophobicContact CD2-CG1 4.17Å; L220-V389 HydrophobicContact CD2-CG2 4.25Å; L220-V389 HydrophobicContact CG-CG1 4.04Å; L220-R391 WeakPolarHBondContact CA-O 3.4Å; L220-L392 HydrophobicContact CB-CD1 4.05Å; L220-L392 HydrophobicContact CD1-CD1 4.32Å; L220-L392 HydrophobicContact CG-CD1 4.48Å
221S97.2Very high94.5Very high18 Ų1843.2 Ų43.213%0.12622%0.217CC..EExtended strand (participates in β ladder)trans-125.4150.2178.662.30000111.1N390 R391S221-N390 PolarHBondContact O-N 3.27Å; S221-R391 PolarHBondContact N-O 2.92Å; S221-R391 PolarHBondContact O-N 3.43Å; S221-R391 PolarHBondContact OG-N 3.35Å; S221-R391 PolarHBondContact OG-O 2.75Å
222F97Very high94.5Very high10 Ų1043.2 Ų43.24%0.04423%0.226CC..EExtended strand (participates in β ladder)trans-108.1152.9177.7-57.2-81.4000110.8I206 L220 N224 P225 L228 W242 L248 L387 K388 V389I206-F222 HydrophobicContact CD1-CE1 3.69Å; I206-F222 HydrophobicContact CD1-CZ 3.51Å; L220-F222 HydrophobicContact CD2-CD1 4.17Å; L220-F222 HydrophobicContact CD2-CD2 4.25Å; L220-F222 HydrophobicContact CD2-CE1 3.59Å; L220-F222 HydrophobicContact CD2-CE2 3.68Å; L220-F222 HydrophobicContact CD2-CG 4.47Å; L220-F222 HydrophobicContact CD2-CZ 3.31Å; F222-N224 VanDerWaalsContact C-N 3.28Å; F222-N224 PolarHBondContact O-N 3.26Å; F222-P225 HydrophobicContact CB-CB 4.33Å; F222-P225 HydrophobicContact CD2-CB 4.46Å; F222-L228 HydrophobicContact CD2-CD1 3.92Å; F222-L228 HydrophobicContact CE2-CD1 3.64Å; F222-L228 HydrophobicContact CZ-CD1 4.08Å; F222-W242 HydrophobicContact CD2-CZ3 4.4Å; F222-W242 HydrophobicContact CE2-CZ3 4.39Å; F222-L248 HydrophobicContact CE2-CD1 3.69Å; F222-L248 HydrophobicContact CE2-CG 4.1Å; F222-L248 HydrophobicContact CZ-CD1 3.86Å; F222-L387 HydrophobicContact CB-CD1 4.15Å; F222-L387 HydrophobicContact CD1-CD1 3.66Å; F222-L387 HydrophobicContact CD1-CD2 4.22Å; F222-L387 HydrophobicContact CD1-CG 3.96Å; F222-L387 HydrophobicContact CE1-CD1 4.26Å; F222-L387 HydrophobicContact CE1-CD2 4.04Å; F222-L387 HydrophobicContact CE1-CG 4.28Å; F222-L387 HydrophobicContact CG-CD1 3.98Å; F222-K388 CarbonylContact C-O 3.58Å; F222-K388 WeakPolarHBondContact CA-O 3.24Å; F222-V389 HydrophobicContact CD1-CG2 4.1Å; F222-V389 HydrophobicContact CE1-CG2 3.93Å
223M96.3Very high94.5Very high124 Ų12445.2 Ų45.261%0.61123%0.234SC*.SBendtrans-62.6-38.7174.1-71.7-63.8-64.300111.4K388 N390M223-K388 HydrophobicContact CB-CB 4.27Å; M223-K388 HydrophobicContact CG-CB 3.95Å; M223-K388 PolarHBondContact N-O 3.19Å; M223-N390 HydrophobicContact CG-CB 4.02Å; M223-N390 HydrophobicContact SD-CB 3.71Å; M223-N390 PolarHBondContact SD-OD1 3.1Å
224N93Very high94.5Very high53 Ų5345.3 Ų45.328%0.28323%0.233SC..  trans-139.390173.8-175.712.4000109.8F222 R226 L227F222-N224 VanDerWaalsContact C-N 3.28Å; F222-N224 PolarHBondContact O-N 3.26Å; N224-R226 PolarHBondContact O-N 2.98Å; N224-R226 WeakPolarHBondContact OD1-CB 3.29Å; N224-R226 PolarHBondContact OD1-N 3.22Å; N224-L227 HydrophobicContact CB-CD1 4.18Å; N224-L227 HydrophobicContact CB-CG 4.28Å; N224-L227 PolarHBondContact O-N 3.41Å
225P92.6Very high94.6Very high26 Ų2648.4 Ų48.417%0.16925%0.25CS..G310 helixtrans-70.7-12-179.628.8-34.6000113.2F222 L227 L228 W242 R246F222-P225 HydrophobicContact CB-CB 4.33Å; F222-P225 HydrophobicContact CD2-CB 4.46Å; P225-L227 PolarHBondContact O-N 2.93Å; P225-L228 PolarHBondContact O-N 3.34Å; P225-W242 HydrophobicContact CB-CH2 3.85Å; P225-W242 HydrophobicContact CB-CZ3 4.33Å; P225-R246 HydrophobicContact CB-CB 3.91Å; P225-R246 HydrophobicContact CG-CB 3.73Å; P225-R246 HydrophobicContact CG-CG 4.41Å
226R89.8Confident94.7Very high198 Ų19845.8 Ų45.875%0.74724%0.238SC*.G310 helixtrans-70.8-8.7176.8-60.7-171.5-65.9-94.9-2113.7N224N224-R226 PolarHBondContact O-N 2.98Å; N224-R226 WeakPolarHBondContact OD1-CB 3.29Å; N224-R226 PolarHBondContact OD1-N 3.22Å
227L90.3Very high94.7Very high28 Ų2846.3 Ų46.315%0.14724%0.241CC..G310 helixtrans-74.5-16.9172.3-64.5173.2000112.2N224 P225 D229 V264 L387N224-L227 HydrophobicContact CB-CD1 4.18Å; N224-L227 HydrophobicContact CB-CG 4.28Å; N224-L227 PolarHBondContact O-N 3.41Å; P225-L227 PolarHBondContact O-N 2.93Å; L227-D229 PolarHBondContact O-N 3.28Å; L227-V264 WeakPolarHBondContact O-CG2 3.43Å; L227-L387 HydrophobicContact CB-CD1 4.48Å
228L91.4Very high94.8Very high13 Ų1350.4 Ų50.47%0.06825%0.254CS..  trans-89.7103.5-178.9-53.3-176.6000109.2F222 P225 V231 W242 Y262 L387F222-L228 HydrophobicContact CD2-CD1 3.92Å; F222-L228 HydrophobicContact CE2-CD1 3.64Å; F222-L228 HydrophobicContact CZ-CD1 4.08Å; P225-L228 PolarHBondContact O-N 3.34Å; L228-V231 HydrophobicContact CB-CG2 3.59Å; L228-W242 HydrophobicContact CD1-CH2 3.8Å; L228-W242 HydrophobicContact CD1-CZ2 4.34Å; L228-Y262 HydrophobicContact CD2-CD1 3.94Å; L228-Y262 HydrophobicContact CD2-CD2 3.38Å; L228-Y262 HydrophobicContact CD2-CE1 4.21Å; L228-Y262 HydrophobicContact CD2-CE2 3.67Å; L228-Y262 HydrophobicContact CD2-CG 3.51Å; L228-L387 HydrophobicContact CD2-CD1 3.73Å; L228-L387 HydrophobicContact CD2-CD2 3.68Å; L228-L387 HydrophobicContact CD2-CG 4.33Å; L228-L387 HydrophobicContact CG-CD1 4.13Å
229D88.9Confident94.6Very high49 Ų4955.9 Ų55.926%0.26228%0.278SS..EExtended strand (participates in β ladder)trans-99157171-56.5-41.2000109.7L227 V231 H263 S265 N268L227-D229 PolarHBondContact O-N 3.28Å; D229-V231 VanDerWaalsContact C-N 3.29Å; D229-V231 PolarHBondContact O-N 2.97Å; D229-V231 VanDerWaalsContact O-N 3.1Å; D229-H263 CarbonylContact C-O 3.57Å; D229-H263 WeakPolarHBondContact CA-O 3.3Å; D229-H263 WeakPolarHBondContact CB-O 3.38Å; D229-H263 PolarHBondContact N-O 3.41Å; D229-H263 PolarHBondContact O-N 2.87Å; D229-H263 VanDerWaalsContact O-O 3.05Å; D229-S265 PolarHBondContact OD2-N 3.2Å; D229-S265 VanDerWaalsContact OD2-N 3.13Å; D229-N268 PolarHBondContact OD2-ND2 3.27Å
230D91.3Very high94.5Very high139 Ų13963.9 Ų63.974%0.74331%0.312SS*.EExtended strand (participates in β ladder)trans41.451.5175.7-61.5-26.4000114.7S232 H263D230-S232 PolarHBondContact O-N 2.8Å; D230-H263 HydrophobicContact CB-CB 4.19Å
231V94.9Very high94.4Very high32 Ų3267.8 Ų67.819%0.19433%0.327CS..EExtended strand (participates in β ladder)trans-76.6127.9-173.1-164.70000111L228 D229 F233 L260 S261L228-V231 HydrophobicContact CB-CG2 3.59Å; D229-V231 VanDerWaalsContact C-N 3.29Å; D229-V231 PolarHBondContact O-N 2.97Å; D229-V231 VanDerWaalsContact O-N 3.1Å; V231-F233 HydrophobicContact CB-CE1 4.23Å; V231-F233 HydrophobicContact CB-CE2 4.07Å; V231-F233 HydrophobicContact CB-CZ 3.7Å; V231-F233 HydrophobicContact CG1-CD1 3.98Å; V231-F233 HydrophobicContact CG1-CE1 3.32Å; V231-F233 HydrophobicContact CG1-CE2 3.98Å; V231-F233 HydrophobicContact CG1-CZ 3.31Å; V231-L260 HydrophobicContact CG1-CB 4.22Å; V231-L260 HydrophobicContact CG1-CD1 4.34Å; V231-L260 HydrophobicContact CG1-CD2 4.3Å; V231-S261 CarbonylContact C-O 3.55Å; V231-S261 WeakPolarHBondContact CA-O 3.46Å; V231-S261 WeakPolarHBondContact CG1-O 3.37Å
232S96.5Very high94.4Very high71 Ų7167.7 Ų67.750%0.49732%0.324SS..EExtended strand (participates in β ladder)trans-107.5128.8168.9-175.60000109.7D230 L260 S261D230-S232 PolarHBondContact O-N 2.8Å; S232-L260 CarbonylContact O-C 3.49Å; S232-L260 WeakPolarHBondContact O-CA 3.37Å; S232-L260 VanDerWaalsContact O-CB 3.29Å; S232-L260 WeakPolarHBondContact O-CB 3.37Å; S232-S261 PolarHBondContact N-O 3.16Å; S232-S261 PolarHBondContact O-N 3.01Å
233F97.4Very high94.3Very high42 Ų4272.8 Ų72.818%0.18435%0.348CS..EExtended strand (participates in β ladder)trans-107148.4-173.9-61.6-71.1000112.1V231 V237 F239 W242 L248 L260V231-F233 HydrophobicContact CB-CE1 4.23Å; V231-F233 HydrophobicContact CB-CE2 4.07Å; V231-F233 HydrophobicContact CB-CZ 3.7Å; V231-F233 HydrophobicContact CG1-CD1 3.98Å; V231-F233 HydrophobicContact CG1-CE1 3.32Å; V231-F233 HydrophobicContact CG1-CE2 3.98Å; V231-F233 HydrophobicContact CG1-CZ 3.31Å; F233-V237 HydrophobicContact CB-CB 3.95Å; F233-V237 HydrophobicContact CB-CG1 4.46Å; F233-V237 HydrophobicContact CB-CG2 4.15Å; F233-V237 HydrophobicContact CD1-CB 4.17Å; F233-V237 HydrophobicContact CD1-CG1 3.89Å; F233-V237 HydrophobicContact CD1-CG2 4.13Å; F233-V237 HydrophobicContact CE1-CG1 4.4Å; F233-V237 HydrophobicContact CG-CB 4.2Å; F233-V237 HydrophobicContact CG-CG1 4.16Å; F233-V237 HydrophobicContact CG-CG2 4.48Å; F233-F239 HydrophobicContact CD2-CD2 4.06Å; F233-F239 HydrophobicContact CD2-CE2 4.47Å; F233-F239 HydrophobicContact CE2-CD2 4.08Å; F233-F239 HydrophobicContact CE2-CE2 4.2Å; F233-W242 HydrophobicContact CE1-CD2 4.29Å; F233-W242 HydrophobicContact CE1-CG 4.35Å; F233-W242 AromaticContact CE2-CD1 3.63Å; F233-W242 HydrophobicContact CE2-CG 4.13Å; F233-W242 AromaticContact CE2-NE1 3.93Å; F233-W242 HydrophobicContact CZ-CB 4.47Å; F233-W242 AromaticContact CZ-CD1 3.4Å; F233-W242 AromaticContact CZ-CD2 3.77Å; F233-W242 HydrophobicContact CZ-CD2 3.77Å; F233-W242 AromaticContact CZ-CE2 3.68Å; F233-W242 AromaticContact CZ-CG 3.62Å; F233-W242 HydrophobicContact CZ-CG 3.62Å; F233-W242 HydrophobicContact CZ-CZ2 4.46Å; F233-W242 AromaticContact CZ-NE1 3.42Å; F233-L248 HydrophobicContact CD1-CD2 4.04Å; F233-L248 HydrophobicContact CE1-CD2 3.5Å; F233-L248 VanDerWaalsContact CE1-CD2 3.5Å; F233-L248 HydrophobicContact CZ-CD2 4.42Å; F233-L260 HydrophobicContact CD1-CB 3.93Å; F233-L260 HydrophobicContact CD1-CD2 4.19Å; F233-L260 HydrophobicContact CE1-CB 4.37Å; F233-L260 HydrophobicContact CE1-CD2 3.95Å
234H95.6Very high94.3Very high33 Ų3371 Ų7115%0.15335%0.348CS..  trans-58.6144.1157.8-165.9-86.2000109.8C236 V237 P253 F257 R258 L259H234-C236 WeakPolarHBondContact ND1-CB 3.36Å; H234-C236 PolarHBondContact ND1-N 2.85Å; H234-C236 VanDerWaalsContact ND1-N 3.13Å; H234-C236 PolarHBondContact ND1-SG 2.83Å; H234-C236 PolarHBondContact O-N 2.84Å; H234-V237 PolarHBondContact O-N 2.92Å; H234-P253 VanDerWaalsContact CE1-CG 3.43Å; H234-P253 WeakPolarHBondContact CE1-CG 3.5Å; H234-F257 AromaticContact CD2-CD2 3.94Å; H234-R258 WeakPolarHBondContact CB-O 3.47Å; H234-R258 PolarHBondContact CD2-O 3.09Å; H234-L259 WeakPolarHBondContact CB-O 3.48Å; H234-L259 PolarHBondContact N-O 3.27Å
235P93.5Very high94.4Very high77 Ų7773.3 Ų73.350%0.536%0.357SS..THydrogen-bonded Turntrans-53.4-16175.7-29.935.9000115.6W167 V237W167-P235 HydrophobicContact CE3-CB 4.05Å; W167-P235 VanDerWaalsContact CH2-O 3.27Å; W167-P235 WeakPolarHBondContact CH2-O 3.11Å; W167-P235 HydrophobicContact CZ3-CB 3.95Å; W167-P235 WeakPolarHBondContact CZ3-O 3.48Å; P235-V237 PolarHBondContact O-N 3.47Å
236C95.6Very high94.5Very high3 Ų377.3 Ų77.32%0.0237%0.368CS..THydrogen-bonded Turntrans-73-17.5178.871.10000113.8W167 H234 F250 I251W167-C236 HydrophobicContact CD2-CB 3.93Å; W167-C236 VanDerWaalsContact CE2-CB 3.43Å; 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 3.28Å; H234-C236 WeakPolarHBondContact ND1-CB 3.36Å; H234-C236 PolarHBondContact ND1-N 2.85Å; H234-C236 VanDerWaalsContact ND1-N 3.13Å; H234-C236 PolarHBondContact ND1-SG 2.83Å; H234-C236 PolarHBondContact O-N 2.84Å; C236-F250 HydrophobicContact CB-CB 4.3Å; C236-F250 VanDerWaalsContact O-CA 3.24Å; C236-F250 WeakPolarHBondContact O-CA 3.39Å; C236-F250 WeakPolarHBondContact O-CB 3.46Å; C236-I251 WeakPolarHBondContact CB-O 3.47Å
237V97.6Very high94.8Very high12 Ų1270 Ų707%0.07334%0.343CS..BIsolated β-bridgetrans-82.1127.3-178.9-177.10000110.7F233 H234 P235 F239 L248 F250 L259F233-V237 HydrophobicContact CB-CB 3.95Å; F233-V237 HydrophobicContact CB-CG1 4.46Å; F233-V237 HydrophobicContact CB-CG2 4.15Å; F233-V237 HydrophobicContact CD1-CB 4.17Å; F233-V237 HydrophobicContact CD1-CG1 3.89Å; F233-V237 HydrophobicContact CD1-CG2 4.13Å; F233-V237 HydrophobicContact CE1-CG1 4.4Å; F233-V237 HydrophobicContact CG-CB 4.2Å; F233-V237 HydrophobicContact CG-CG1 4.16Å; F233-V237 HydrophobicContact CG-CG2 4.48Å; H234-V237 PolarHBondContact O-N 2.92Å; P235-V237 PolarHBondContact O-N 3.47Å; V237-F239 PolarHBondContact O-N 3.34Å; V237-L248 HydrophobicContact CG1-CD2 3.97Å; V237-F250 HydrophobicContact CG2-CB 4.35Å; V237-L259 HydrophobicContact CG2-CD1 3.72Å
238R96.9Very high95.1Very high122 Ų12268.6 Ų68.646%0.4634%0.336SS..  trans-75.291.3175.7-61-178.3-166.8-167.914.9110.3D217 K240 R241 W242 S249D217-R238 IonicContact OD1-NH2 2.83Å; D217-R238 IonicContact OD2-CZ 3.5Å; D217-R238 IonicContact OD2-NH2 3.46Å; D217-R238 PolarHBondContact OD2-NH2 3.34Å; R238-K240 VanDerWaalsContact C-N 3.33Å; R238-K240 PolarHBondContact O-N 3.2Å; R238-R241 HydrophobicContact CB-CB 4.44Å; R238-R241 PolarHBondContact O-N 2.81Å; R238-W242 PolarHBondContact O-N 3.15Å; R238-S249 WeakPolarHBondContact CG-O 3.49Å; R238-S249 PolarHBondContact N-O 2.89Å
239F95.3Very high95.4Very high116 Ų11668 Ų6851%0.50933%0.333SS..Hα-helixtrans-50.2-45.9-175-175.4-98.5000114.2F233 V237 R241 W242 E243F233-F239 HydrophobicContact CD2-CD2 4.06Å; F233-F239 HydrophobicContact CD2-CE2 4.47Å; F233-F239 HydrophobicContact CE2-CD2 4.08Å; F233-F239 HydrophobicContact CE2-CE2 4.2Å; V237-F239 PolarHBondContact O-N 3.34Å; F239-R241 PolarHBondContact O-N 3.07Å; F239-R241 VanDerWaalsContact O-N 3.14Å; F239-W242 WeakPolarHBondContact O-CB 3.45Å; F239-W242 PolarHBondContact O-N 3.16Å; F239-E243 HydrophobicContact CE1-CB 4.37Å; F239-E243 PolarHBondContact O-N 3.34Å
240K95.9Very high95.8Very high176 Ų17665.7 Ų65.777%0.76532%0.321SS*.Hα-helixtrans-56.9-33.4-179.9-66.8-172.7177.9-1780113.6R238 S244R238-K240 VanDerWaalsContact C-N 3.33Å; R238-K240 PolarHBondContact O-N 3.2Å; K240-S244 PolarHBondContact O-N 3.07Å; K240-S244 PolarHBondContact O-OG 2.75Å
241R96.1Very high96.1Very high81 Ų8160.2 Ų60.231%0.30629%0.291SS..Hα-helixtrans-77.7-36.7178.5-170.6165.5177.3-164.15111.7R238 F239 E243 S244 E245 S249R238-R241 HydrophobicContact CB-CB 4.44Å; R238-R241 PolarHBondContact O-N 2.81Å; F239-R241 PolarHBondContact O-N 3.07Å; F239-R241 VanDerWaalsContact O-N 3.14Å; R241-E243 VanDerWaalsContact C-N 3.34Å; R241-S244 PolarHBondContact O-OG 2.99Å; R241-E245 HydrophobicContact CG-CG 4.45Å; R241-E245 IonicContact CZ-OE2 3.61Å; R241-E245 IonicContact NE-OE1 3.56Å; R241-E245 IonicContact NE-OE2 3.64Å; R241-E245 PolarHBondContact NE-OE2 2.8Å; R241-E245 IonicContact NH2-OE2 2.78Å; R241-E245 WeakPolarHBondContact O-CB 3.46Å; R241-E245 PolarHBondContact O-N 3.19Å; R241-S249 PolarHBondContact NH1-OG 2.72Å; R241-S249 VanDerWaalsContact NH1-OG 3.07Å
242W96.3Very high96.2Very high16 Ų1658.7 Ų58.76%0.06128%0.282CS..Hα-helixtrans-61.5-43.8169.9172-102000111.8F222 P225 L228 F233 R238 F239 S244 R246 L248F222-W242 HydrophobicContact CD2-CZ3 4.4Å; F222-W242 HydrophobicContact CE2-CZ3 4.39Å; P225-W242 HydrophobicContact CB-CH2 3.85Å; P225-W242 HydrophobicContact CB-CZ3 4.33Å; L228-W242 HydrophobicContact CD1-CH2 3.8Å; L228-W242 HydrophobicContact CD1-CZ2 4.34Å; F233-W242 HydrophobicContact CE1-CD2 4.29Å; F233-W242 HydrophobicContact CE1-CG 4.35Å; F233-W242 AromaticContact CE2-CD1 3.63Å; F233-W242 HydrophobicContact CE2-CG 4.13Å; F233-W242 AromaticContact CE2-NE1 3.93Å; F233-W242 HydrophobicContact CZ-CB 4.47Å; F233-W242 AromaticContact CZ-CD1 3.4Å; F233-W242 AromaticContact CZ-CD2 3.77Å; F233-W242 HydrophobicContact CZ-CD2 3.77Å; F233-W242 AromaticContact CZ-CE2 3.68Å; F233-W242 AromaticContact CZ-CG 3.62Å; F233-W242 HydrophobicContact CZ-CG 3.62Å; F233-W242 HydrophobicContact CZ-CZ2 4.46Å; F233-W242 AromaticContact CZ-NE1 3.42Å; R238-W242 PolarHBondContact O-N 3.15Å; F239-W242 WeakPolarHBondContact O-CB 3.45Å; F239-W242 PolarHBondContact O-N 3.16Å; W242-S244 VanDerWaalsContact C-N 3.34Å; W242-S244 PolarHBondContact O-N 3.3Å; W242-R246 VanDerWaalsContact CE3-C 3.46Å; W242-R246 HydrophobicContact CH2-CB 4.42Å; W242-R246 VanDerWaalsContact CZ3-C 3.45Å; W242-R246 HydrophobicContact CZ3-CB 4.29Å; W242-R246 VanDerWaalsContact CZ3-O 3.28Å; W242-R246 WeakPolarHBondContact CZ3-O 3.49Å; W242-R246 WeakPolarHBondContact O-CA 3.16Å; W242-R246 PolarHBondContact O-N 3.45Å; W242-R246 PolarHBondContact O-NH1 2.82Å; W242-L248 HydrophobicContact CD2-CD2 4.2Å; W242-L248 HydrophobicContact CE3-CD2 3.58Å; W242-L248 HydrophobicContact CE3-CG 4.16Å; W242-L248 HydrophobicContact CZ3-CD2 4.02Å; W242-L248 HydrophobicContact CZ3-CG 4.29Å
243E95.1Very high96.1Very high118 Ų11855.6 Ų55.655%0.55126%0.26SS*.Hα-helixtrans-63.3-36.9-178.9-174.7176-126.600113.1F239 R241 R246F239-E243 HydrophobicContact CE1-CB 4.37Å; F239-E243 PolarHBondContact O-N 3.34Å; R241-E243 VanDerWaalsContact C-N 3.34Å; E243-R246 VanDerWaalsContact CA-NH1 3.33Å; E243-R246 PolarHBondContact O-NH1 2.88Å
244S95.8Very high95.8Very high87 Ų8754.2 Ų54.261%0.60826%0.255SS*.Hα-helixtrans-89-43.7-178.847.70000113.7K240 R241 W242K240-S244 PolarHBondContact O-N 3.07Å; K240-S244 PolarHBondContact O-OG 2.75Å; R241-S244 PolarHBondContact O-OG 2.99Å; W242-S244 VanDerWaalsContact C-N 3.34Å; W242-S244 PolarHBondContact O-N 3.3Å
245E95.4Very high95.7Very high101 Ų10153.5 Ų53.547%0.47226%0.256SS..Hα-helixtrans-109.3-12.6-169.1-62.2172.5-16300113.4R241 I247R241-E245 HydrophobicContact CG-CG 4.45Å; R241-E245 IonicContact CZ-OE2 3.61Å; R241-E245 IonicContact NE-OE1 3.56Å; R241-E245 IonicContact NE-OE2 3.64Å; R241-E245 PolarHBondContact NE-OE2 2.8Å; R241-E245 IonicContact NH2-OE2 2.78Å; R241-E245 WeakPolarHBondContact O-CB 3.46Å; R241-E245 PolarHBondContact O-N 3.19Å; E245-I247 HydrophobicContact CB-CB 4.14Å; E245-I247 HydrophobicContact CB-CD1 4.06Å; E245-I247 HydrophobicContact CB-CG1 4.08Å; E245-I247 PolarHBondContact O-N 2.9Å
246R94.6Very high95.7Very high110 Ų11056 Ų5642%0.41527%0.265SS..SBendtrans53.937.7-168.3-64.8-70.5-178.5-79.6-3.6112.7P225 W242 E243P225-R246 HydrophobicContact CB-CB 3.91Å; P225-R246 HydrophobicContact CG-CB 3.73Å; P225-R246 HydrophobicContact CG-CG 4.41Å; W242-R246 VanDerWaalsContact CE3-C 3.46Å; W242-R246 HydrophobicContact CH2-CB 4.42Å; W242-R246 VanDerWaalsContact CZ3-C 3.45Å; W242-R246 HydrophobicContact CZ3-CB 4.29Å; W242-R246 VanDerWaalsContact CZ3-O 3.28Å; W242-R246 WeakPolarHBondContact CZ3-O 3.49Å; W242-R246 WeakPolarHBondContact O-CA 3.16Å; W242-R246 PolarHBondContact O-N 3.45Å; W242-R246 PolarHBondContact O-NH1 2.82Å; E243-R246 VanDerWaalsContact CA-NH1 3.33Å; E243-R246 PolarHBondContact O-NH1 2.88Å
247I95.7Very high95.6Very high43 Ų4357 Ų5722%0.22127%0.269CS..  trans-119.1131.2177.4-68.2175.7000108.6T219 E245T219-I247 HydrophobicContact CG2-CG2 3.23Å; E245-I247 HydrophobicContact CB-CB 4.14Å; E245-I247 HydrophobicContact CB-CD1 4.06Å; E245-I247 HydrophobicContact CB-CG1 4.08Å; E245-I247 PolarHBondContact O-N 2.9Å
248L97.6Very high95.5Very high0 Ų062.5 Ų62.50%029%0.289CS..EExtended strand (participates in β ladder)trans-79122.6171.7-57.5176.4000108.7T219 L220 F222 F233 V237 W242 F250 L259 L260T219-L248 CarbonylContact C-O 3.57Å; T219-L248 VanDerWaalsContact CA-O 3.25Å; T219-L248 WeakPolarHBondContact CA-O 3.41Å; L220-L248 HydrophobicContact CB-CB 4.21Å; L220-L248 HydrophobicContact CB-CD1 4.36Å; L220-L248 HydrophobicContact CD2-CD1 3.88Å; L220-L248 PolarHBondContact N-O 3.05Å; L220-L248 WeakPolarHBondContact O-CB 3.34Å; L220-L248 PolarHBondContact O-N 3.21Å; F222-L248 HydrophobicContact CE2-CD1 3.69Å; F222-L248 HydrophobicContact CE2-CG 4.1Å; F222-L248 HydrophobicContact CZ-CD1 3.86Å; F233-L248 HydrophobicContact CD1-CD2 4.04Å; F233-L248 HydrophobicContact CE1-CD2 3.5Å; F233-L248 VanDerWaalsContact CE1-CD2 3.5Å; F233-L248 HydrophobicContact CZ-CD2 4.42Å; V237-L248 HydrophobicContact CG1-CD2 3.97Å; W242-L248 HydrophobicContact CD2-CD2 4.2Å; W242-L248 HydrophobicContact CE3-CD2 3.58Å; W242-L248 HydrophobicContact CE3-CG 4.16Å; W242-L248 HydrophobicContact CZ3-CD2 4.02Å; W242-L248 HydrophobicContact CZ3-CG 4.29Å; L248-F250 HydrophobicContact CB-CD1 4.15Å; L248-F250 HydrophobicContact CB-CE1 4.08Å; L248-L259 HydrophobicContact CD1-CD2 3.99Å; L248-L260 HydrophobicContact CD1-CD2 3.51Å; L248-L260 HydrophobicContact CD2-CD2 3.94Å; L248-L260 HydrophobicContact CG-CD2 4.37Å
249S97.8Very high95.6Very high0 Ų056.7 Ų56.70%027%0.267CS..EExtended strand (participates in β ladder)trans-127.3125.8173.3175.10000109L218 R238 R241L218-S249 WeakPolarHBondContact O-CA 3.43Å; R238-S249 WeakPolarHBondContact CG-O 3.49Å; R238-S249 PolarHBondContact N-O 2.89Å; R241-S249 PolarHBondContact NH1-OG 2.72Å; R241-S249 VanDerWaalsContact NH1-OG 3.07Å
250F97.9Very high95.7Very high0 Ų051.2 Ų51.20%024%0.243CC..EExtended strand (participates in β ladder)trans-160.7149.4-169.956.8-79.4000112.3F181 L218 L220 C236 V237 L248 P252 F257 L259F181-F250 HydrophobicContact CE1-CE2 4.38Å; F181-F250 AromaticContact CE1-CZ 3.95Å; F181-F250 HydrophobicContact CE1-CZ 3.95Å; F181-F250 HydrophobicContact CZ-CZ 4.13Å; L218-F250 HydrophobicContact CB-CD2 4.3Å; L218-F250 HydrophobicContact CB-CE1 4.15Å; L218-F250 HydrophobicContact CB-CE2 3.95Å; L218-F250 HydrophobicContact CB-CZ 3.86Å; L218-F250 HydrophobicContact CD1-CE2 3.82Å; L218-F250 HydrophobicContact CD1-CZ 4.1Å; L218-F250 HydrophobicContact CG-CE2 4.4Å; L218-F250 PolarHBondContact N-O 2.86Å; L218-F250 PolarHBondContact O-N 2.96Å; L220-F250 HydrophobicContact CB-CE1 4.15Å; C236-F250 HydrophobicContact CB-CB 4.3Å; C236-F250 VanDerWaalsContact O-CA 3.24Å; C236-F250 WeakPolarHBondContact O-CA 3.39Å; C236-F250 WeakPolarHBondContact O-CB 3.46Å; V237-F250 HydrophobicContact CG2-CB 4.35Å; L248-F250 HydrophobicContact CB-CD1 4.15Å; L248-F250 HydrophobicContact CB-CE1 4.08Å; F250-P252 HydrophobicContact CD2-CB 3.93Å; F250-P252 HydrophobicContact CE2-CB 3.95Å; F250-F257 HydrophobicContact CE2-CZ 4.42Å; F250-L259 HydrophobicContact CD1-CD1 4.13Å; F250-L259 HydrophobicContact CD2-CD1 3.92Å; F250-L259 HydrophobicContact CE1-CD1 4.04Å; F250-L259 HydrophobicContact CE1-CD2 4.07Å; F250-L259 HydrophobicContact CE2-CD1 3.8Å; F250-L259 HydrophobicContact CE2-CD2 4.44Å; F250-L259 HydrophobicContact CG-CD1 4.09Å; F250-L259 HydrophobicContact CZ-CD1 3.88Å; F250-L259 HydrophobicContact CZ-CD2 3.83Å
251I96.9Very high95.8Very high25 Ų2544.7 Ų44.713%0.12822%0.219CC..  trans-95.7111.3161.6-66.3167.8000105.9V165 W167 R168 M215 D217 C236V165-I251 HydrophobicContact CG1-CB 4.02Å; V165-I251 HydrophobicContact CG1-CG2 3.75Å; V165-I251 HydrophobicContact CG2-CD1 3.92Å; W167-I251 PolarHBondContact NE1-O 2.88Å; R168-I251 HydrophobicContact CB-CG2 4.4Å; R168-I251 VanDerWaalsContact CD-CG2 3.41Å; M215-I251 HydrophobicContact CE-CG2 4.08Å; D217-I251 HydrophobicContact CB-CG1 4.36Å; C236-I251 WeakPolarHBondContact CB-O 3.47Å
252P96.4Very high95.8Very high0 Ų041 Ų410%021%0.205CC..PPolyproline II helixtrans-71.6145.4-17128.1-35.3000112.6R168 V210 P216 L218 F250 F257R168-P252 VanDerWaalsContact CD-O 3.22Å; R168-P252 WeakPolarHBondContact CD-O 3.47Å; R168-P252 PolarHBondContact NH1-O 2.88Å; V210-P252 HydrophobicContact CB-CB 4.16Å; V210-P252 HydrophobicContact CB-CG 4.36Å; V210-P252 HydrophobicContact CG1-CB 3.99Å; V210-P252 HydrophobicContact CG1-CG 3.63Å; V210-P252 HydrophobicContact CG2-CB 3.97Å; V210-P252 HydrophobicContact CG2-CG 4.39Å; P216-P252 HydrophobicContact CG-CG 4.24Å; P216-P252 WeakPolarHBondContact O-CD 3.3Å; L218-P252 HydrophobicContact CD1-CB 4.36Å; L218-P252 HydrophobicContact CD1-CG 3.72Å; L218-P252 HydrophobicContact CG-CG 4.12Å; F250-P252 HydrophobicContact CD2-CB 3.93Å; F250-P252 HydrophobicContact CE2-CB 3.95Å; P252-F257 HydrophobicContact CB-CE1 3.91Å; P252-F257 HydrophobicContact CB-CZ 3.77Å
253P94.6Very high95.7Very high6 Ų641.4 Ų41.44%0.03921%0.208CC..PPolyproline II helixtrans-49.4152.6157.5-21.830.9000111.6W167 H234 F257W167-P253 HydrophobicContact CB-CG 4.06Å; W167-P253 HydrophobicContact CG-CG 4.16Å; W167-P253 WeakPolarHBondContact O-CA 3.3Å; H234-P253 VanDerWaalsContact CE1-CG 3.43Å; H234-P253 WeakPolarHBondContact CE1-CG 3.5Å; P253-F257 HydrophobicContact CB-CB 4.29Å; P253-F257 HydrophobicContact CB-CD1 3.91Å; P253-F257 HydrophobicContact CB-CE1 4.4Å; P253-F257 HydrophobicContact CB-CG 4.01Å; P253-F257 HydrophobicContact CG-CB 4.2Å; P253-F257 HydrophobicContact CG-CD1 4.01Å; P253-F257 HydrophobicContact CG-CD2 3.79Å; P253-F257 HydrophobicContact CG-CE1 4.34Å; P253-F257 HydrophobicContact CG-CE2 4.15Å; P253-F257 HydrophobicContact CG-CG 3.73Å; P253-F257 HydrophobicContact CG-CZ 4.43Å
254D91.9Very high95.5Very high13 Ų1336 Ų367%0.0718%0.183CC..SBendtrans-78135.8171.5-167.352.1000110.2N128 R169 V172 Y174N128-D254 PolarHBondContact ND2-N 2.9Å; N128-D254 PolarHBondContact ND2-O 2.87Å; R169-D254 IonicContact NH2-OD2 2.79Å; R169-D254 PolarHBondContact NH2-OD2 2.84Å; V172-D254 WeakPolarHBondContact CG1-OD1 3.49Å; Y174-D254 VanDerWaalsContact CE2-OD1 3.28Å; Y174-D254 WeakPolarHBondContact CE2-OD1 3.44Å; Y174-D254 PolarHBondContact OH-OD1 2.91Å; Y174-D254 PolarHBondContact OH-OD2 3.11Å; Y174-D254 VanDerWaalsContact OH-OD2 3.13Å
255G92.8Very high94.4Very high17 Ų1733.3 Ų33.318%0.17516%0.164CC..EExtended strand (participates in β ladder)trans83.7-144.7179.700000114.7C209 V210C209-G255 CarbonylContact C-O 3.57Å; C209-G255 WeakPolarHBondContact CA-O 3.26Å; V210-G255 PolarHBondContact N-O 3.4Å; V210-G255 PolarHBondContact O-N 3Å
256N92.9Very high93.1Very high131 Ų13131 Ų3170%0.70116%0.162SC*.EExtended strand (participates in β ladder)trans-88.2132.5-175.7-58.7-50.5000110.7A208 C209A208-N256 CarbonylContact O-C 3.49Å; A208-N256 VanDerWaalsContact O-CA 3.28Å; A208-N256 WeakPolarHBondContact O-CA 3.27Å; C209-N256 VanDerWaalsContact CB-OD1 3.3Å; C209-N256 WeakPolarHBondContact CB-OD1 3.46Å; C209-N256 PolarHBondContact SG-OD1 3.39Å
257F94.2Very high91.6Very high24 Ų2434.2 Ų34.211%0.10518%0.182CC..EExtended strand (participates in β ladder)trans-157.6158.5172.669.3-77000110.9A208 V210 H234 F250 P252 P253 L259A208-F257 HydrophobicContact CB-CD1 4.16Å; A208-F257 HydrophobicContact CB-CE1 3.64Å; A208-F257 HydrophobicContact CB-CE2 4.32Å; A208-F257 HydrophobicContact CB-CZ 3.71Å; A208-F257 PolarHBondContact N-O 3.49Å; A208-F257 PolarHBondContact O-N 2.96Å; V210-F257 HydrophobicContact CB-CE1 4.25Å; V210-F257 HydrophobicContact CG2-CE1 3.73Å; V210-F257 HydrophobicContact CG2-CZ 4.33Å; H234-F257 AromaticContact CD2-CD2 3.94Å; F250-F257 HydrophobicContact CE2-CZ 4.42Å; P252-F257 HydrophobicContact CB-CE1 3.91Å; P252-F257 HydrophobicContact CB-CZ 3.77Å; P253-F257 HydrophobicContact CB-CB 4.29Å; P253-F257 HydrophobicContact CB-CD1 3.91Å; P253-F257 HydrophobicContact CB-CE1 4.4Å; P253-F257 HydrophobicContact CB-CG 4.01Å; P253-F257 HydrophobicContact CG-CB 4.2Å; P253-F257 HydrophobicContact CG-CD1 4.01Å; P253-F257 HydrophobicContact CG-CD2 3.79Å; P253-F257 HydrophobicContact CG-CE1 4.34Å; P253-F257 HydrophobicContact CG-CE2 4.15Å; P253-F257 HydrophobicContact CG-CG 3.73Å; P253-F257 HydrophobicContact CG-CZ 4.43Å; F257-L259 HydrophobicContact CE2-CB 3.94Å; F257-L259 HydrophobicContact CE2-CD1 3.9Å; F257-L259 HydrophobicContact CZ-CD1 4.41Å
258R96.2Very high90.1Very high127 Ų12735.4 Ų35.448%0.47919%0.189SC..EExtended strand (participates in β ladder)trans-82.3117.9168.6179.1156.6-671682.3109.3D207 H234D207-R258 WeakPolarHBondContact OD1-CA 3.33Å; D207-R258 WeakPolarHBondContact OD1-CB 3.36Å; D207-R258 WeakPolarHBondContact OD1-CG 3.5Å; D207-R258 IonicContact OD1-CZ 2.77Å; D207-R258 IonicContact OD1-NE 3.3Å; D207-R258 PolarHBondContact OD1-NE 2.74Å; D207-R258 IonicContact OD1-NH2 3.66Å; D207-R258 PolarHBondContact OD1-NH2 2.93Å; D207-R258 IonicContact OD2-NE 3.1Å; D207-R258 IonicContact OD2-NH2 2.71Å; D207-R258 PolarHBondContact OD2-NH2 3.46Å; D207-R258 VanDerWaalsContact OD2-NH2 3.12Å; H234-R258 WeakPolarHBondContact CB-O 3.47Å; H234-R258 PolarHBondContact CD2-O 3.09Å
259L97.9Very high88.9Confident0 Ų044 Ų440%023%0.234CC..EExtended strand (participates in β ladder)trans-74.9-45.717817664.2000111.4F181 I206 H234 V237 L248 F250 F257F181-L259 HydrophobicContact CD1-CD2 4.16Å; F181-L259 HydrophobicContact CE1-CD2 3.96Å; I206-L259 HydrophobicContact CG2-CB 4.44Å; I206-L259 HydrophobicContact CG2-CD2 4.29Å; I206-L259 WeakPolarHBondContact O-CB 3.22Å; I206-L259 PolarHBondContact O-N 3.02Å; H234-L259 WeakPolarHBondContact CB-O 3.48Å; H234-L259 PolarHBondContact N-O 3.27Å; V237-L259 HydrophobicContact CG2-CD1 3.72Å; L248-L259 HydrophobicContact CD1-CD2 3.99Å; F250-L259 HydrophobicContact CD1-CD1 4.13Å; F250-L259 HydrophobicContact CD2-CD1 3.92Å; F250-L259 HydrophobicContact CE1-CD1 4.04Å; F250-L259 HydrophobicContact CE1-CD2 4.07Å; F250-L259 HydrophobicContact CE2-CD1 3.8Å; F250-L259 HydrophobicContact CE2-CD2 4.44Å; F250-L259 HydrophobicContact CG-CD1 4.09Å; F250-L259 HydrophobicContact CZ-CD1 3.88Å; F250-L259 HydrophobicContact CZ-CD2 3.83Å; F257-L259 HydrophobicContact CE2-CB 3.94Å; F257-L259 HydrophobicContact CE2-CD1 3.9Å; F257-L259 HydrophobicContact CZ-CD1 4.41Å
260L98.1Very high88.3Confident1 Ų145 Ų451%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-158.2160.7176.362.180.6000111.4V205 I206 V231 S232 F233 L248 Y262V205-L260 WeakPolarHBondContact CA-O 3.25Å; I206-L260 HydrophobicContact CB-CD1 4.15Å; I206-L260 HydrophobicContact CB-CG 4.14Å; I206-L260 HydrophobicContact CD1-CD1 3.78Å; I206-L260 HydrophobicContact CD1-CD2 4.19Å; I206-L260 HydrophobicContact CD1-CG 4.06Å; I206-L260 HydrophobicContact CG1-CD1 3.71Å; I206-L260 HydrophobicContact CG1-CG 4.15Å; I206-L260 PolarHBondContact N-O 3.35Å; I206-L260 PolarHBondContact O-N 2.92Å; V231-L260 HydrophobicContact CG1-CB 4.22Å; V231-L260 HydrophobicContact CG1-CD1 4.34Å; V231-L260 HydrophobicContact CG1-CD2 4.3Å; S232-L260 CarbonylContact O-C 3.49Å; S232-L260 WeakPolarHBondContact O-CA 3.37Å; S232-L260 VanDerWaalsContact O-CB 3.29Å; S232-L260 WeakPolarHBondContact O-CB 3.37Å; F233-L260 HydrophobicContact CD1-CB 3.93Å; F233-L260 HydrophobicContact CD1-CD2 4.19Å; F233-L260 HydrophobicContact CE1-CB 4.37Å; F233-L260 HydrophobicContact CE1-CD2 3.95Å; L248-L260 HydrophobicContact CD1-CD2 3.51Å; L248-L260 HydrophobicContact CD2-CD2 3.94Å; L248-L260 HydrophobicContact CG-CD2 4.37Å; L260-Y262 HydrophobicContact CD1-CD1 3.45Å; L260-Y262 VanDerWaalsContact CD1-CD1 3.45Å; L260-Y262 HydrophobicContact CD1-CE1 4.12Å; L260-Y262 HydrophobicContact CD1-CG 4.37Å
261S98Very high87.9Confident39 Ų3946 Ų4627%0.27325%0.248SC..EExtended strand (participates in β ladder)trans-120.3152.3159.859.30000109.4G204 V231 S232G204-S261 CarbonylContact O-C 3.6Å; G204-S261 VanDerWaalsContact O-CA 3.26Å; G204-S261 WeakPolarHBondContact O-CA 3.35Å; V231-S261 CarbonylContact C-O 3.55Å; V231-S261 WeakPolarHBondContact CA-O 3.46Å; V231-S261 WeakPolarHBondContact CG1-O 3.37Å; S232-S261 PolarHBondContact N-O 3.16Å; S232-S261 PolarHBondContact O-N 3.01Å
262Y96.4Very high87.8Confident3 Ų345 Ų451%0.01224%0.243CC..EExtended strand (participates in β ladder)trans-146.7158.8-178.761-81.4000110V183 E185 G204 I206 L228 L260 V264 L387V183-Y262 WeakPolarHBondContact CG1-OH 3.38Å; E185-Y262 VanDerWaalsContact CG-OH 3.26Å; E185-Y262 WeakPolarHBondContact CG-OH 3.28Å; E185-Y262 PolarHBondContact OE1-OH 2.95Å; G204-Y262 VanDerWaalsContact CA-CE1 3.48Å; G204-Y262 VanDerWaalsContact CA-CZ 3.49Å; G204-Y262 PolarHBondContact N-O 2.83Å; G204-Y262 WeakPolarHBondContact O-CD1 3.48Å; G204-Y262 PolarHBondContact O-N 3.47Å; I206-Y262 HydrophobicContact CG1-CE1 4.12Å; L228-Y262 HydrophobicContact CD2-CD1 3.94Å; L228-Y262 HydrophobicContact CD2-CD2 3.38Å; L228-Y262 HydrophobicContact CD2-CE1 4.21Å; L228-Y262 HydrophobicContact CD2-CE2 3.67Å; L228-Y262 HydrophobicContact CD2-CG 3.51Å; L260-Y262 HydrophobicContact CD1-CD1 3.45Å; L260-Y262 VanDerWaalsContact CD1-CD1 3.45Å; L260-Y262 HydrophobicContact CD1-CE1 4.12Å; L260-Y262 HydrophobicContact CD1-CG 4.37Å; Y262-V264 HydrophobicContact CD2-CG2 3.97Å; Y262-V264 HydrophobicContact CE2-CG2 3.96Å; Y262-L387 HydrophobicContact CE1-CD2 4.17Å; Y262-L387 HydrophobicContact CE2-CD2 4.19Å; Y262-L387 WeakPolarHBondContact OH-CD2 3.44Å
263H94.3Very high87.8Confident25 Ų2545 Ų4512%0.11624%0.243CC..EExtended strand (participates in β ladder)trans-110.8154.2169.8-175.769.4000109E201 I202 Q203 D229 D230E201-H263 IonicContact OE2-CE1 2.73Å; E201-H263 PolarHBondContact OE2-CE1 3.44Å; I202-H263 WeakPolarHBondContact O-CA 3.39Å; I202-H263 PolarHBondContact O-ND1 3.42Å; Q203-H263 PolarHBondContact NE2-ND1 2.94Å; Q203-H263 VanDerWaalsContact NE2-ND1 3.11Å; D229-H263 CarbonylContact C-O 3.57Å; D229-H263 WeakPolarHBondContact CA-O 3.3Å; D229-H263 WeakPolarHBondContact CB-O 3.38Å; D229-H263 PolarHBondContact N-O 3.41Å; D229-H263 PolarHBondContact O-N 2.87Å; D229-H263 VanDerWaalsContact O-O 3.05Å; D230-H263 HydrophobicContact CB-CB 4.19Å
264V89.6Confident87.8Confident3 Ų344.8 Ų44.82%0.01824%0.241CC..EExtended strand (participates in β ladder)trans-122.5112.3164.8-169.10000106.9I202 L227 Y262 N268I202-V264 HydrophobicContact CB-CB 3.96Å; I202-V264 HydrophobicContact CB-CG2 4.01Å; I202-V264 HydrophobicContact CD1-CB 4.21Å; I202-V264 HydrophobicContact CD1-CG2 4.37Å; I202-V264 HydrophobicContact CG1-CB 4.5Å; I202-V264 HydrophobicContact CG2-CG2 4.34Å; I202-V264 PolarHBondContact N-O 3.31Å; I202-V264 PolarHBondContact O-N 3.45Å; L227-V264 WeakPolarHBondContact O-CG2 3.43Å; Y262-V264 HydrophobicContact CD2-CG2 3.97Å; Y262-V264 HydrophobicContact CE2-CG2 3.96Å; V264-N268 HydrophobicContact CG1-CB 4.18Å
265S74.2Confident88Confident32 Ų3247 Ų4722%0.22425%0.249CC..  trans-64.2147.1-173.9-1760000112.3D229 Q267 N268D229-S265 PolarHBondContact OD2-N 3.2Å; D229-S265 VanDerWaalsContact OD2-N 3.13Å; S265-Q267 PolarHBondContact O-N 3Å; S265-N268 WeakPolarHBondContact O-CB 3.38Å; S265-N268 PolarHBondContact O-N 2.96Å
266A66.9Low88.2Confident51 Ų5147 Ų4742%0.42125%0.245SC..THydrogen-bonded Turntrans-57.4-16173.900000114.5A200 E201 N268A200-A266 WeakPolarHBondContact O-CA 3.34Å; A200-A266 VanDerWaalsContact O-CB 3.31Å; A200-A266 WeakPolarHBondContact O-CB 3.35Å; E201-A266 HydrophobicContact CG-CB 4.17Å; A266-N268 CarbonylContact C-O 3.49Å; A266-N268 PolarHBondContact O-N 2.89Å
267Q63.3Low88.4Confident179 Ų17947.3 Ų47.384%0.83624%0.241SC*.THydrogen-bonded Turntrans-64.4-28.9172.3-64.3177.66.400112S265S265-Q267 PolarHBondContact O-N 3Å
268N63.9Low88.5Confident67 Ų6748.3 Ų48.336%0.35825%0.246SC..SBendtrans-78.3123.1165.9-63.7-49.5000107.2D229 V264 S265 A266 V270D229-N268 PolarHBondContact OD2-ND2 3.27Å; V264-N268 HydrophobicContact CG1-CB 4.18Å; S265-N268 WeakPolarHBondContact O-CB 3.38Å; S265-N268 PolarHBondContact O-N 2.96Å; A266-N268 CarbonylContact C-O 3.49Å; A266-N268 PolarHBondContact O-N 2.89Å; N268-V270 VanDerWaalsContact C-N 3.34Å; N268-V270 WeakPolarHBondContact O-CG2 3.39Å; N268-V270 PolarHBondContact O-N 2.85Å
269L72.5Confident88.5Confident181 Ų18145.8 Ų45.895%0.94824%0.242SC*.  trans-57.594.2178.5-72.4166.8000110.5A271L269-A271 PolarHBondContact O-N 2.8Å
270V85.3Confident88.3Confident21 Ų2146.2 Ų46.213%0.12724%0.244CC..PPolyproline II helixtrans-68.6121.2-179.5173.80000109.1I187 A200 I202 N268 I272I187-V270 HydrophobicContact CD1-CG1 3.81Å; I187-V270 HydrophobicContact CG1-CG1 4.36Å; A200-V270 HydrophobicContact CB-CB 3.72Å; A200-V270 HydrophobicContact CB-CG1 3.86Å; A200-V270 HydrophobicContact CB-CG2 4.35Å; A200-V270 WeakPolarHBondContact O-CG2 2.96Å; I202-V270 HydrophobicContact CD1-CG1 3.97Å; I202-V270 HydrophobicContact CD1-CG2 4.15Å; I202-V270 HydrophobicContact CG1-CG1 3.91Å; I202-V270 HydrophobicContact CG1-CG2 4.19Å; N268-V270 VanDerWaalsContact C-N 3.34Å; N268-V270 WeakPolarHBondContact O-CG2 3.39Å; N268-V270 PolarHBondContact O-N 2.85Å; V270-I272 PolarHBondContact O-N 2.87Å
271A90.3Very high88Confident20 Ų2048 Ų4817%0.16526%0.256CS..PPolyproline II helixtrans-68.2126.9176.700000110.2L269 P273 Q299 I384L269-A271 PolarHBondContact O-N 2.8Å; A271-P273 WeakPolarHBondContact O-CD 3.37Å; A271-Q299 HydrophobicContact CB-CB 4.07Å; A271-I384 HydrophobicContact CB-CD1 4.01Å; A271-I384 HydrophobicContact CB-CG1 4.32Å; A271-I384 VanDerWaalsContact O-CG1 3.26Å; A271-I384 WeakPolarHBondContact O-CG1 3.49Å
272I94.7Very high87.7Confident4 Ų446.9 Ų46.92%0.02125%0.247CC..PPolyproline II helixtrans-89.9116.8178.8-59.1-55.3000108.9I187 A189 I191 T197 A200 V270 V274 K298 Q299 F414I187-I272 HydrophobicContact CD1-CD1 4.16Å; A189-I272 HydrophobicContact CB-CD1 4.16Å; I191-I272 HydrophobicContact CD1-CD1 4.1Å; I191-I272 HydrophobicContact CD1-CG1 4.13Å; I191-I272 HydrophobicContact CD1-CG2 4.26Å; T197-I272 HydrophobicContact CG2-CD1 4.1Å; T197-I272 HydrophobicContact CG2-CG1 4.41Å; T197-I272 WeakPolarHBondContact OG1-CG1 3.45Å; A200-I272 HydrophobicContact CB-CD1 3.79Å; V270-I272 PolarHBondContact O-N 2.87Å; I272-V274 WeakPolarHBondContact CG2-O 3.09Å; I272-K298 HydrophobicContact CB-CD 4.24Å; I272-K298 HydrophobicContact CG2-CD 4.37Å; I272-K298 WeakPolarHBondContact O-CB 3.24Å; I272-Q299 WeakPolarHBondContact O-CB 3.36Å; I272-Q299 PolarHBondContact O-N 2.7Å; I272-Q299 VanDerWaalsContact O-N 3.11Å; I272-F414 HydrophobicContact CG2-CE2 4.18Å; I272-F414 HydrophobicContact CG2-CZ 3.82Å
273P95.1Very high86.9Confident0 Ų055 Ų550%028%0.277CS..  trans-77.9-23.3-171.928.3-33.9000113.7I187 A271 K298 T300 F377 I379 I384I187-P273 HydrophobicContact CD1-CG 4.43Å; A271-P273 WeakPolarHBondContact O-CD 3.37Å; P273-K298 PolarHBondContact O-N 3.24Å; P273-T300 HydrophobicContact CB-CG2 4.42Å; P273-T300 VanDerWaalsContact O-CG2 3.23Å; P273-T300 WeakPolarHBondContact O-CG2 3.46Å; P273-F377 HydrophobicContact CG-CE2 3.74Å; P273-F377 HydrophobicContact CG-CZ 3.56Å; P273-I379 HydrophobicContact CB-CD1 3.54Å; P273-I379 HydrophobicContact CG-CD1 4.25Å; P273-I384 HydrophobicContact CB-CD1 4.16Å
274V95.9Very high85.7Confident2 Ų259.4 Ų59.41%0.01230%0.302CS..EExtended strand (participates in β ladder)trans-130.1137.1-173-173.10000110I272 V295 G296 I305 L375 F377I272-V274 WeakPolarHBondContact CG2-O 3.09Å; V274-V295 HydrophobicContact CG1-CG1 3.41Å; V274-V295 VanDerWaalsContact CG1-CG1 3.41Å; V274-G296 WeakPolarHBondContact CA-O 3.4Å; V274-G296 WeakPolarHBondContact CG1-O 3.24Å; V274-I305 HydrophobicContact CG2-CD1 3.75Å; V274-I305 HydrophobicContact CG2-CG1 4.45Å; V274-I305 HydrophobicContact CG2-CG2 4.33Å; V274-L375 HydrophobicContact CG1-CD2 3.97Å; V274-F377 HydrophobicContact CB-CE1 4.45Å; V274-F377 HydrophobicContact CG2-CD1 3.92Å; V274-F377 HydrophobicContact CG2-CD2 4.4Å; V274-F377 HydrophobicContact CG2-CE1 3.83Å; V274-F377 HydrophobicContact CG2-CE2 4.33Å; V274-F377 HydrophobicContact CG2-CG 4.23Å; V274-F377 HydrophobicContact CG2-CZ 4.06Å
275Y95.7Very high84.7Confident60 Ų6065.2 Ų65.224%0.23534%0.343CS..EExtended strand (participates in β ladder)trans-106.5153.6167.173.6-98.1000110.6K277 G296 P297 K298 P351Y275-K277 HydrophobicContact CD2-CG 3.98Å; Y275-K277 HydrophobicContact CE2-CD 4.13Å; Y275-K277 HydrophobicContact CE2-CG 3.97Å; Y275-G296 WeakPolarHBondContact CD1-O 3.33Å; Y275-G296 VanDerWaalsContact CE1-C 3.49Å; Y275-G296 PolarHBondContact N-O 3.38Å; Y275-G296 PolarHBondContact O-N 2.97Å; Y275-P297 VanDerWaalsContact CD1-O 3.29Å; Y275-P297 WeakPolarHBondContact CD1-O 3.36Å; Y275-P297 VanDerWaalsContact CE1-O 3.23Å; Y275-P297 WeakPolarHBondContact CE1-O 3.49Å; Y275-K298 HydrophobicContact CD1-CB 4.21Å; Y275-P351 WeakPolarHBondContact OH-CG 3.32Å
276V97.1Very high84.7Confident16 Ų1665.7 Ų65.710%0.09735%0.346CS..EExtended strand (participates in β ladder)trans-126.4123.3170.8-176.50000108.7I293 T294 V295 I373 L375 V416V276-I293 HydrophobicContact CG1-CG2 3.72Å; V276-T294 WeakPolarHBondContact CA-O 3.4Å; V276-V295 HydrophobicContact CG2-CG2 4.19Å; V276-I373 HydrophobicContact CG1-CD1 3.87Å; V276-L375 HydrophobicContact CG2-CD1 3.74Å; V276-L375 HydrophobicContact CG2-CD2 3.79Å; V276-L375 HydrophobicContact CG2-CG 4.38Å; V276-V416 HydrophobicContact CB-CG1 4.31Å; V276-V416 HydrophobicContact CB-CG2 4.03Å; V276-V416 HydrophobicContact CG2-CG2 3.84Å
277K96.5Very high85.6Confident138 Ų13866.6 Ų66.660%0.635%0.349SS*.EExtended strand (participates in β ladder)trans-99.6132.3166.7-67.6179.9179.4-177.90107.5Y275 I293 T294Y275-K277 HydrophobicContact CD2-CG 3.98Å; Y275-K277 HydrophobicContact CE2-CD 4.13Å; Y275-K277 HydrophobicContact CE2-CG 3.97Å; K277-I293 CarbonylContact O-C 3.52Å; K277-I293 WeakPolarHBondContact O-CA 3.34Å; K277-T294 PolarHBondContact N-O 2.91Å; K277-T294 PolarHBondContact O-N 3.37Å
278H96.3Very high86.8Confident45 Ų4562.2 Ų62.221%0.20833%0.331CS..EExtended strand (participates in β ladder)trans-134.4152.2-179.961.986.2000111K193 E292 I293 I373 T418K193-H278 PolarHBondContact O-NE2 2.81Å; H278-E292 CarbonylContact C-O 3.57Å; H278-E292 VanDerWaalsContact CA-O 3.25Å; H278-E292 WeakPolarHBondContact CA-O 3.17Å; H278-I293 HydrophobicContact CB-CG1 4.3Å; H278-I373 HydrophobicContact CB-CD1 3.98Å; H278-T418 HydrophobicContact CB-CG2 4.31Å; H278-T418 WeakPolarHBondContact CE1-CA 3.33Å; H278-T418 PolarHBondContact CE1-OXT 3.46Å; H278-T418 WeakPolarHBondContact ND1-CB 3.28Å; H278-T418 PolarHBondContact ND1-OXT 2.77Å
279N95.8Very high88.2Confident75 Ų7559.3 Ų59.340%0.40132%0.317SS..EExtended strand (participates in β ladder)trans-143.392.5168.2-178.15.1000107.5E292N279-E292 HydrophobicContact CB-CB 4.28Å; N279-E292 PolarHBondContact N-O 3.22Å; N279-E292 PolarHBondContact O-N 3.06Å; N279-E292 VanDerWaalsContact O-N 3.08Å
280I95.1Very high89.3Confident9 Ų956.4 Ų56.45%0.04629%0.293CS..EExtended strand (participates in β ladder)trans-112.9121.1-179.4-54.7174.2000106.9F282 R290 F291 M358 N370 P371 T418I280-F282 HydrophobicContact CG2-CE2 3.88Å; I280-F282 HydrophobicContact CG2-CZ 4.23Å; I280-R290 WeakPolarHBondContact CA-O 3.33Å; I280-F291 HydrophobicContact CD1-CD2 4.01Å; I280-F291 HydrophobicContact CD1-CE2 3.67Å; I280-F291 HydrophobicContact CG1-CD2 3.87Å; I280-F291 HydrophobicContact CG1-CE2 4.03Å; I280-F291 HydrophobicContact CG2-CD2 4.23Å; I280-M358 HydrophobicContact CG2-CE 4.09Å; I280-N370 PolarHBondContact O-ND2 2.87Å; I280-P371 HydrophobicContact CD1-CG 4.22Å; I280-P371 HydrophobicContact CG2-CG 4.4Å; I280-T418 HydrophobicContact CD1-CG2 4.1Å
281S92.3Very high89.8Confident38 Ų3855.4 Ų55.427%0.26629%0.287SS..EExtended strand (participates in β ladder)trans-140.3132.7-177.871.40000111.3G289 R290S281-G289 CarbonylContact O-C 3.42Å; S281-G289 VanDerWaalsContact O-CA 3.3Å; S281-G289 WeakPolarHBondContact O-CA 3.48Å; S281-R290 PolarHBondContact N-O 3.03Å; S281-R290 PolarHBondContact O-N 3.07Å
282F89.9Confident90.2Very high15 Ų1556.8 Ų56.87%0.06629%0.29CS..EExtended strand (participates in β ladder)trans-104.7127.8169.3-56.5-91.4000107.4I280 P315 V318 M358 L360 K366 P367 N370I280-F282 HydrophobicContact CG2-CE2 3.88Å; I280-F282 HydrophobicContact CG2-CZ 4.23Å; F282-P315 HydrophobicContact CE1-CG 4.2Å; F282-P315 HydrophobicContact CE2-CG 4.48Å; F282-P315 HydrophobicContact CZ-CG 3.77Å; F282-V318 HydrophobicContact CE1-CG2 3.96Å; F282-M358 HydrophobicContact CD1-CE 4Å; F282-M358 HydrophobicContact CE1-CE 3.53Å; F282-M358 HydrophobicContact CE1-SD 4.14Å; F282-M358 HydrophobicContact CE2-CE 4.35Å; F282-M358 HydrophobicContact CZ-CE 3.72Å; F282-M358 HydrophobicContact CZ-SD 4.27Å; F282-L360 HydrophobicContact CD1-CD1 3.98Å; F282-L360 HydrophobicContact CD1-CD2 3.84Å; F282-L360 HydrophobicContact CE1-CD2 4.01Å; F282-K366 HydrophobicContact CB-CG 4.18Å; F282-P367 HydrophobicContact CD1-CG 3.99Å; F282-P367 HydrophobicContact CD2-CG 3.95Å; F282-P367 HydrophobicContact CE1-CG 4.05Å; F282-P367 HydrophobicContact CE2-CG 4.02Å; F282-P367 HydrophobicContact CG-CG 3.95Å; F282-P367 HydrophobicContact CZ-CG 4.09Å; F282-N370 WeakPolarHBondContact CE2-OD1 3.34Å
283R79.8Confident90.3Very high174 Ų17456.7 Ų56.766%0.65729%0.29SS*.  trans-99.5127.8-178.9-76179.6-177.7-169-0.2109.7S286R283-S286 WeakPolarHBondContact CB-OG 3.4Å; R283-S286 PolarHBondContact O-N 2.97Å; R283-S286 PolarHBondContact O-OG 2.94Å
284D70.6Confident90.4Very high117 Ų11758 Ų5863%0.62630%0.298SS*.THydrogen-bonded Turntrans-57139.4178.8-66.1-42.6000111.5S286 K366D284-S286 PolarHBondContact O-N 3.15Å; D284-K366 WeakPolarHBondContact OD1-CB 3.38Å
285S68Low90.5Very high126 Ų12658 Ų5888%0.88130%0.297SS*.THydrogen-bonded Turntrans58.314.7176.9-53.80000115.3
286S74.7Confident90.5Very high41 Ų4155.1 Ų55.129%0.28729%0.286SS..  trans-114.2144.7175.282.40000110.7R283 D284 L288R283-S286 WeakPolarHBondContact CB-OG 3.4Å; R283-S286 PolarHBondContact O-N 2.97Å; R283-S286 PolarHBondContact O-OG 2.94Å; D284-S286 PolarHBondContact O-N 3.15Å; S286-L288 PolarHBondContact O-N 3.14Å; S286-L288 PolarHBondContact OG-N 2.89Å; S286-L288 PolarHBondContact OG-O 2.8Å
287S85.3Confident90.4Very high70 Ų7056 Ų5649%0.4929%0.292SS..SBendtrans-78.512.4172.853.20000113L360S287-L360 PolarHBondContact O-N 3.15Å
288L89.4Confident90.3Very high88 Ų8854.3 Ų54.346%0.46129%0.285SS..EExtended strand (participates in β ladder)trans-133.4128.4-172.4-64.9175.3000112.6S286 M358S286-L288 PolarHBondContact O-N 3.14Å; S286-L288 PolarHBondContact OG-N 2.89Å; S286-L288 PolarHBondContact OG-O 2.8Å; L288-M358 CarbonylContact C-O 3.52Å; L288-M358 WeakPolarHBondContact CA-O 3.32Å
289G92.1Very high90.1Very high6 Ų656.4 Ų56.46%0.06230%0.295CS..EExtended strand (participates in β ladder)trans-109167.3167.300000112.2S281 T357 M358S281-G289 CarbonylContact O-C 3.42Å; S281-G289 VanDerWaalsContact O-CA 3.3Å; S281-G289 WeakPolarHBondContact O-CA 3.48Å; G289-T357 CarbonylContact O-C 3.55Å; G289-T357 VanDerWaalsContact O-CA 3.28Å; G289-T357 WeakPolarHBondContact O-CA 3.22Å; G289-M358 PolarHBondContact N-O 3.05Å; G289-M358 PolarHBondContact O-N 3.3Å
290R94.9Very high89.9Confident120 Ų12053.6 Ų53.645%0.45328%0.28SS..EExtended strand (participates in β ladder)trans-113136.7171.7-177.4177.5177.2157.5-1.5109.5I280 S281 E292 M358I280-R290 WeakPolarHBondContact CA-O 3.33Å; S281-R290 PolarHBondContact N-O 3.03Å; S281-R290 PolarHBondContact O-N 3.07Å; R290-E292 IonicContact CZ-OE2 3.49Å; R290-E292 IonicContact NE-OE2 3.37Å; R290-E292 PolarHBondContact NE-OE2 2.9Å; R290-E292 IonicContact NH2-OE2 3.12Å; R290-E292 PolarHBondContact NH2-OE2 2.87Å; R290-M358 WeakPolarHBondContact O-CE 3.38Å
291F96.9Very high89.6Confident0 Ų060.4 Ų60.40%031%0.314CS..EExtended strand (participates in β ladder)trans-130124.7175.6-173-90.4000109.2I280 I293 M314 M321 L323 L339 L354 K355 G356 M358I280-F291 HydrophobicContact CD1-CD2 4.01Å; I280-F291 HydrophobicContact CD1-CE2 3.67Å; I280-F291 HydrophobicContact CG1-CD2 3.87Å; I280-F291 HydrophobicContact CG1-CE2 4.03Å; I280-F291 HydrophobicContact CG2-CD2 4.23Å; F291-I293 HydrophobicContact CE1-CB 4.5Å; F291-I293 HydrophobicContact CE1-CD1 3.55Å; F291-I293 HydrophobicContact CE1-CG1 3.8Å; F291-I293 HydrophobicContact CE2-CD1 3.95Å; F291-I293 HydrophobicContact CE2-CG1 4.44Å; F291-I293 HydrophobicContact CZ-CD1 3.12Å; F291-I293 HydrophobicContact CZ-CG1 3.77Å; F291-M314 HydrophobicContact CD2-CE 4.17Å; F291-M314 HydrophobicContact CE2-CE 3.45Å; F291-M314 VanDerWaalsContact CE2-CE 3.45Å; F291-M314 HydrophobicContact CE2-SD 4.34Å; F291-M314 HydrophobicContact CZ-CE 3.89Å; F291-M321 HydrophobicContact CB-CE 3.96Å; F291-M321 HydrophobicContact CD1-CE 4.03Å; F291-M321 HydrophobicContact CD2-CE 3.67Å; F291-M321 HydrophobicContact CE1-CE 4.4Å; F291-M321 HydrophobicContact CE2-CE 4.1Å; F291-M321 HydrophobicContact CG-CE 3.61Å; F291-M321 HydrophobicContact CZ-CE 4.4Å; F291-L323 HydrophobicContact CB-CD2 3.96Å; F291-L323 HydrophobicContact CD1-CD1 3.94Å; F291-L323 HydrophobicContact CD1-CD2 3.99Å; F291-L323 HydrophobicContact CE1-CD1 4.2Å; F291-L323 HydrophobicContact CG-CD2 4.33Å; F291-L339 HydrophobicContact CD1-CD2 4.43Å; F291-L339 HydrophobicContact CE1-CD2 3.51Å; F291-L339 HydrophobicContact CE2-CD2 4.13Å; F291-L339 HydrophobicContact CZ-CD2 3.29Å; F291-L354 HydrophobicContact CE1-CD2 4.22Å; F291-K355 CarbonylContact O-C 3.5Å; F291-K355 VanDerWaalsContact O-CA 3.25Å; F291-K355 WeakPolarHBondContact O-CA 3.36Å; F291-G356 PolarHBondContact N-O 2.9Å; F291-G356 PolarHBondContact O-N 2.92Å; F291-M358 HydrophobicContact CB-CE 4.45Å; F291-M358 HydrophobicContact CB-CG 3.94Å; F291-M358 HydrophobicContact CB-SD 4.05Å; F291-M358 HydrophobicContact CD2-SD 4.07Å; F291-M358 HydrophobicContact CG-SD 4.49Å
292E97.8Very high89.5Confident48 Ų4862.2 Ų62.222%0.22434%0.338CS..EExtended strand (participates in β ladder)trans-146.9126.2176.7179.5165.6-160.100109.5H278 N279 R290 L354 K355H278-E292 CarbonylContact C-O 3.57Å; H278-E292 VanDerWaalsContact CA-O 3.25Å; H278-E292 WeakPolarHBondContact CA-O 3.17Å; N279-E292 HydrophobicContact CB-CB 4.28Å; N279-E292 PolarHBondContact N-O 3.22Å; N279-E292 PolarHBondContact O-N 3.06Å; N279-E292 VanDerWaalsContact O-N 3.08Å; R290-E292 IonicContact CZ-OE2 3.49Å; R290-E292 IonicContact NE-OE2 3.37Å; R290-E292 PolarHBondContact NE-OE2 2.9Å; R290-E292 IonicContact NH2-OE2 3.12Å; R290-E292 PolarHBondContact NH2-OE2 2.87Å; E292-L354 CarbonylContact C-O 3.54Å; E292-L354 WeakPolarHBondContact CA-O 3.19Å; E292-K355 HydrophobicContact CB-CB 4.15Å; E292-K355 HydrophobicContact CG-CB 3.97Å
293I97.8Very high89.8Confident2 Ų264.9 Ų64.91%0.0135%0.35CS..EExtended strand (participates in β ladder)trans-132.4140.4176-64.3178.6000108.5V276 K277 H278 F291 V295 W341 N353 L354 I373V276-I293 HydrophobicContact CG1-CG2 3.72Å; K277-I293 CarbonylContact O-C 3.52Å; K277-I293 WeakPolarHBondContact O-CA 3.34Å; H278-I293 HydrophobicContact CB-CG1 4.3Å; F291-I293 HydrophobicContact CE1-CB 4.5Å; F291-I293 HydrophobicContact CE1-CD1 3.55Å; F291-I293 HydrophobicContact CE1-CG1 3.8Å; F291-I293 HydrophobicContact CE2-CD1 3.95Å; F291-I293 HydrophobicContact CE2-CG1 4.44Å; F291-I293 HydrophobicContact CZ-CD1 3.12Å; F291-I293 HydrophobicContact CZ-CG1 3.77Å; I293-V295 HydrophobicContact CG2-CG2 4.02Å; I293-W341 HydrophobicContact CG2-CZ3 4.23Å; I293-N353 CarbonylContact O-C 3.49Å; I293-N353 WeakPolarHBondContact O-CA 3.41Å; I293-N353 WeakPolarHBondContact O-CB 3.36Å; I293-L354 PolarHBondContact N-O 2.8Å; I293-L354 PolarHBondContact O-N 2.74Å; I293-I373 HydrophobicContact CD1-CD1 3.38Å; I293-I373 HydrophobicContact CD1-CG1 3.75Å; I293-I373 HydrophobicContact CG1-CD1 3.87Å; I293-I373 HydrophobicContact CG2-CD1 4.46Å
294T97.4Very high90.5Very high29 Ų2959.4 Ų59.418%0.17834%0.336CS..EExtended strand (participates in β ladder)trans-128.8128.2167.5-58.40000108.9V276 K277 P351 P352 N353V276-T294 WeakPolarHBondContact CA-O 3.4Å; K277-T294 PolarHBondContact N-O 2.91Å; K277-T294 PolarHBondContact O-N 3.37Å; T294-P351 HydrophobicContact CG2-CB 3.76Å; T294-P352 WeakPolarHBondContact CA-O 3.37Å; T294-P352 WeakPolarHBondContact CG2-O 3.07Å; T294-N353 HydrophobicContact CG2-CB 4.47Å; T294-N353 WeakPolarHBondContact OG1-CB 3.49Å
295V97.4Very high91.7Very high0 Ų054 Ų540%031%0.307CS..EExtended strand (participates in β ladder)trans-111137.3177.2-1770000108.6V274 V276 I293 V308 V310 W341 I346 P352 L375V274-V295 HydrophobicContact CG1-CG1 3.41Å; V274-V295 VanDerWaalsContact CG1-CG1 3.41Å; V276-V295 HydrophobicContact CG2-CG2 4.19Å; I293-V295 HydrophobicContact CG2-CG2 4.02Å; V295-V308 HydrophobicContact CG1-CG1 4.41Å; V295-V310 HydrophobicContact CG2-CG2 3.86Å; V295-W341 HydrophobicContact CG2-CZ3 3.94Å; V295-I346 HydrophobicContact CG1-CD1 3.87Å; V295-P352 PolarHBondContact N-O 2.88Å; V295-P352 WeakPolarHBondContact O-CD 3.46Å; V295-P352 WeakPolarHBondContact O-CG 3.49Å; V295-L375 HydrophobicContact CG1-CD2 3.86Å; V295-L375 HydrophobicContact CG2-CD2 4.37Å
296G95.8Very high93.1Very high0 Ų051 Ų510%028%0.279CS..EExtended strand (participates in β ladder)trans-156166.9179.100000113.9V274 Y275V274-G296 WeakPolarHBondContact CA-O 3.4Å; V274-G296 WeakPolarHBondContact CG1-O 3.24Å; Y275-G296 WeakPolarHBondContact CD1-O 3.33Å; Y275-G296 VanDerWaalsContact CE1-C 3.49Å; Y275-G296 PolarHBondContact N-O 3.38Å; Y275-G296 PolarHBondContact O-N 2.97Å
297P95.5Very high94.2Very high34 Ų3451.2 Ų51.222%0.22129%0.288CS..EExtended strand (participates in β ladder)trans-70.5140.5178.830.3-32.7000111Y275 T300 I305 P348Y275-P297 VanDerWaalsContact CD1-O 3.29Å; Y275-P297 WeakPolarHBondContact CD1-O 3.36Å; Y275-P297 VanDerWaalsContact CE1-O 3.23Å; Y275-P297 WeakPolarHBondContact CE1-O 3.49Å; P297-T300 HydrophobicContact CB-CG2 3.83Å; P297-I305 HydrophobicContact CB-CD1 3.8Å; P297-P348 HydrophobicContact CG-CB 4.04Å; P297-P348 HydrophobicContact CG-CG 4.41Å
298K93.6Very high94.8Very high104 Ų10448 Ų4845%0.45227%0.265SS..SBendtrans-115.6-77.3174.2-171.4-177.8-176.8179.20110.6I272 P273 Y275I272-K298 HydrophobicContact CB-CD 4.24Å; I272-K298 HydrophobicContact CG2-CD 4.37Å; I272-K298 WeakPolarHBondContact O-CB 3.24Å; P273-K298 PolarHBondContact O-N 3.24Å; Y275-K298 HydrophobicContact CD1-CB 4.21Å
299Q92.7Very high95.2Very high89 Ų8946 Ų4642%0.41626%0.256SS..SBendtrans-117.470.9179.2-69.7171.6-4100111.9A271 I272A271-Q299 HydrophobicContact CB-CB 4.07Å; I272-Q299 WeakPolarHBondContact O-CB 3.36Å; I272-Q299 PolarHBondContact O-N 2.7Å; I272-Q299 VanDerWaalsContact O-N 3.11Å
300T91Very high95.5Very high15 Ų1545.9 Ų45.99%0.09226%0.255CS..  trans-98.9-0.3-177.569.20000114.4P273 P297 G302 K303 I305 I379P273-T300 HydrophobicContact CB-CG2 4.42Å; P273-T300 VanDerWaalsContact O-CG2 3.23Å; P273-T300 WeakPolarHBondContact O-CG2 3.46Å; P297-T300 HydrophobicContact CB-CG2 3.83Å; T300-G302 PolarHBondContact O-N 2.83Å; T300-K303 VanDerWaalsContact CB-O 3.27Å; T300-K303 WeakPolarHBondContact CB-O 3.22Å; T300-K303 VanDerWaalsContact O-CB 3.29Å; T300-K303 WeakPolarHBondContact O-CB 3.28Å; T300-K303 PolarHBondContact O-N 2.83Å; T300-K303 PolarHBondContact OG1-O 2.99Å; T300-I305 HydrophobicContact CG2-CD1 3.7Å; T300-I305 HydrophobicContact CG2-CG1 3.74Å; T300-I379 HydrophobicContact CG2-CD1 4.36Å
301M89.6Confident95.7Very high152 Ų15242.2 Ų42.275%0.74925%0.246SC*.THydrogen-bonded Turntrans52.436.2-174.1-56.1-61.1179.600113K303 L382M301-K303 PolarHBondContact O-N 2.92Å; M301-L382 HydrophobicContact CB-CD1 4.31Å; M301-L382 HydrophobicContact CG-CD1 4.3Å
302G90.1Very high95.7Very high76 Ų7642.3 Ų42.378%0.78425%0.246SC*.THydrogen-bonded Turntrans76.20.6-178.400000114.8T300T300-G302 PolarHBondContact O-N 2.83Å
303K94.9Very high95.7Very high72 Ų7244.4 Ų44.431%0.31326%0.256SS..PPolyproline II helixtrans-77.6149.9174.6-56.7-59-174.1176.50110.8T300 M301 I379 Q381 L382T300-K303 VanDerWaalsContact CB-O 3.27Å; T300-K303 WeakPolarHBondContact CB-O 3.22Å; T300-K303 VanDerWaalsContact O-CB 3.29Å; T300-K303 WeakPolarHBondContact O-CB 3.28Å; T300-K303 PolarHBondContact O-N 2.83Å; T300-K303 PolarHBondContact OG1-O 2.99Å; M301-K303 PolarHBondContact O-N 2.92Å; K303-I379 HydrophobicContact CB-CG2 3.52Å; K303-I379 HydrophobicContact CG-CG2 4.48Å; K303-Q381 HydrophobicContact CD-CB 4.34Å; K303-Q381 WeakPolarHBondContact CE-O 3.42Å; K303-L382 HydrophobicContact CG-CB 4.24Å
304T94.3Very high95.6Very high58 Ų5844.5 Ų44.536%0.35626%0.257SS..PPolyproline II helixtrans-85.1141.7-178.6-50.50000110.9K345T304-K345 HydrophobicContact CG2-CD 4.1Å; T304-K345 HydrophobicContact CG2-CG 3.67Å
305I96.9Very high95.4Very high3 Ų344.5 Ų44.52%0.01526%0.257CS..EExtended strand (participates in β ladder)trans-95127.9173.3-49.1156.9000108.1V274 P297 T300 V308 I346 F377 I379V274-I305 HydrophobicContact CG2-CD1 3.75Å; V274-I305 HydrophobicContact CG2-CG1 4.45Å; V274-I305 HydrophobicContact CG2-CG2 4.33Å; P297-I305 HydrophobicContact CB-CD1 3.8Å; T300-I305 HydrophobicContact CG2-CD1 3.7Å; T300-I305 HydrophobicContact CG2-CG1 3.74Å; I305-V308 HydrophobicContact CB-CG2 4.31Å; I305-V308 HydrophobicContact CG2-CG2 3.43Å; I305-V308 VanDerWaalsContact CG2-CG2 3.43Å; I305-I346 HydrophobicContact CB-CB 4.4Å; I305-I346 HydrophobicContact CB-CD1 4.33Å; I305-I346 HydrophobicContact CD1-CD1 4.14Å; I305-I346 HydrophobicContact CG2-CD1 4.41Å; I305-I346 PolarHBondContact O-N 2.81Å; I305-F377 HydrophobicContact CG2-CB 3.67Å; I305-F377 HydrophobicContact CG2-CD2 4.19Å; I305-F377 HydrophobicContact CG2-CG 4.09Å; I305-I379 HydrophobicContact CB-CG1 4.43Å; I305-I379 HydrophobicContact CG1-CD1 4.05Å; I305-I379 HydrophobicContact CG1-CG1 4.08Å; I305-I379 HydrophobicContact CG2-CG1 4.3Å
306E96.9Very high95.1Very high65 Ų6553.6 Ų53.630%0.30430%0.296SS..EExtended strand (participates in β ladder)trans-131.3165.5-177.564-179.3-16700112.2V308 K345 K378 Q380E306-V308 PolarHBondContact O-N 3.21Å; E306-K345 HydrophobicContact CB-CG 4.48Å; E306-K378 HydrophobicContact CG-CB 4.23Å; E306-K378 PolarHBondContact N-O 2.99Å; E306-K378 PolarHBondContact O-N 3.21Å; E306-Q380 WeakPolarHBondContact OE1-CG 3.17Å; E306-Q380 PolarHBondContact OE1-NE2 3.32Å
307G97.2Very high94.8Very high45 Ų4554.5 Ų54.546%0.46431%0.306SS..EExtended strand (participates in β ladder)trans57.538-177.700000112.5T309 G344G307-T309 PolarHBondContact O-N 3.33Å; G307-G344 PolarHBondContact N-O 2.94Å
308V98.3Very high94.8Very high1 Ų153 Ų531%0.00630%0.296CS..EExtended strand (participates in β ladder)trans-78.5119.4-176.3-179.40000110V295 I305 E306 V343 G344 I346 Q376 F377V295-V308 HydrophobicContact CG1-CG1 4.41Å; I305-V308 HydrophobicContact CB-CG2 4.31Å; I305-V308 HydrophobicContact CG2-CG2 3.43Å; I305-V308 VanDerWaalsContact CG2-CG2 3.43Å; E306-V308 PolarHBondContact O-N 3.21Å; V308-V343 HydrophobicContact CB-CB 3.94Å; V308-V343 HydrophobicContact CB-CG1 4.41Å; V308-V343 HydrophobicContact CB-CG2 4.48Å; V308-V343 HydrophobicContact CG1-CB 4.01Å; V308-V343 HydrophobicContact CG1-CG1 4.49Å; V308-V343 HydrophobicContact CG1-CG2 4.01Å; V308-V343 WeakPolarHBondContact O-CB 3.43Å; V308-V343 PolarHBondContact O-N 2.62Å; V308-G344 WeakPolarHBondContact CB-O 3.29Å; V308-G344 PolarHBondContact N-O 3.36Å; V308-G344 PolarHBondContact O-N 3.43Å; V308-I346 HydrophobicContact CB-CD1 4.4Å; V308-I346 HydrophobicContact CB-CG1 4.37Å; V308-I346 HydrophobicContact CG1-CD1 4.23Å; V308-I346 HydrophobicContact CG2-CD1 3.78Å; V308-I346 HydrophobicContact CG2-CG1 3.81Å; V308-Q376 CarbonylContact C-O 3.4Å; V308-Q376 VanDerWaalsContact CA-O 3.26Å; V308-Q376 WeakPolarHBondContact CA-O 3.46Å; V308-F377 HydrophobicContact CG2-CB 3.88Å
309T98.3Very high94.8Very high46 Ų4652 Ų5228%0.28230%0.295SS..EExtended strand (participates in β ladder)trans-126.6135.1172.9-51.10000109.2G307 T311 W341 L375 Q376G307-T309 PolarHBondContact O-N 3.33Å; T309-T311 HydrophobicContact CG2-CG2 4.35Å; T309-W341 CarbonylContact C-O 3.56Å; T309-W341 WeakPolarHBondContact CA-O 3.26Å; T309-L375 WeakPolarHBondContact O-CA 3.47Å; T309-Q376 PolarHBondContact N-O 3Å; T309-Q376 PolarHBondContact O-N 3.48Å
310V98.4Very high94.9Very high5 Ų551.5 Ų51.53%0.0330%0.295CS..EExtended strand (participates in β ladder)trans-114.2128.8177.5-1770000108.5V295 S340 W341 V343 I373 N374 L375V295-V310 HydrophobicContact CG2-CG2 3.86Å; V310-S340 CarbonylContact O-C 3.54Å; V310-S340 WeakPolarHBondContact O-CA 3.45Å; V310-W341 HydrophobicContact CB-CB 4.29Å; V310-W341 HydrophobicContact CB-CE3 4Å; V310-W341 HydrophobicContact CG2-CE3 3.79Å; V310-W341 HydrophobicContact CG2-CZ3 4.23Å; V310-W341 PolarHBondContact N-O 3.05Å; V310-W341 PolarHBondContact O-N 2.87Å; V310-V343 HydrophobicContact CG2-CG2 4.33Å; V310-I373 HydrophobicContact CG1-CG2 3.4Å; V310-I373 VanDerWaalsContact CG1-CG2 3.4Å; V310-N374 WeakPolarHBondContact CA-O 3.33Å; V310-L375 HydrophobicContact CG2-CG 4.49Å
311T98.3Very high95.2Very high43 Ų4351.2 Ų51.226%0.26429%0.293SS..EExtended strand (participates in β ladder)trans-124.9146.9174.3630000111.1T309 L339 N374T309-T311 HydrophobicContact CG2-CG2 4.35Å; T311-L339 CarbonylContact C-O 3.55Å; T311-L339 VanDerWaalsContact CA-O 3.26Å; T311-L339 WeakPolarHBondContact CA-O 3.19Å; T311-N374 PolarHBondContact N-O 3.35Å; T311-N374 PolarHBondContact O-N 3.46Å
312S97.9Very high95.5Very high2 Ų247.3 Ų47.31%0.01428%0.281CS..EExtended strand (participates in β ladder)trans-150.4123.8178.5-178.90000109.5M314 L339 T372S312-M314 PolarHBondContact O-N 3.01Å; S312-M314 VanDerWaalsContact OG-CE 3.27Å; S312-M314 WeakPolarHBondContact OG-CE 2.88Å; S312-L339 PolarHBondContact N-O 3.28Å; S312-L339 PolarHBondContact O-N 3Å; S312-T372 PolarHBondContact OG-O 3.42Å
313Q96.7Very high95.9Very high91 Ų9144.4 Ų44.443%0.42525%0.247SC..EExtended strand (participates in β ladder)trans-80.2113.8175.3-177.162.83700108.8T336 P371Q313-T336 PolarHBondContact NE2-O 3.28Å; Q313-P371 WeakPolarHBondContact O-CB 3.41Å
314M96Very high96.1Very high5 Ų545.6 Ų45.63%0.02526%0.261CS..  trans-82152.1-176.5-64.1-59.6153.700112.2F291 S312 V318 M321 F332 K337 L339 M358 P371F291-M314 HydrophobicContact CD2-CE 4.17Å; F291-M314 HydrophobicContact CE2-CE 3.45Å; F291-M314 VanDerWaalsContact CE2-CE 3.45Å; F291-M314 HydrophobicContact CE2-SD 4.34Å; F291-M314 HydrophobicContact CZ-CE 3.89Å; S312-M314 PolarHBondContact O-N 3.01Å; S312-M314 VanDerWaalsContact OG-CE 3.27Å; S312-M314 WeakPolarHBondContact OG-CE 2.88Å; M314-V318 HydrophobicContact CB-CB 4.05Å; M314-V318 HydrophobicContact CB-CG1 4.36Å; M314-V318 HydrophobicContact CB-CG2 4.06Å; M314-M321 HydrophobicContact CE-CE 3.81Å; M314-M321 HydrophobicContact CE-SD 4Å; M314-M321 HydrophobicContact CG-SD 3.95Å; M314-M321 HydrophobicContact SD-CE 4.1Å; M314-M321 HydrophobicContact SD-SD 4.27Å; M314-F332 HydrophobicContact CB-CE2 4.05Å; M314-F332 HydrophobicContact CG-CD2 4.42Å; M314-F332 HydrophobicContact CG-CE2 3.76Å; M314-K337 HydrophobicContact CB-CB 4.32Å; M314-K337 WeakPolarHBondContact CB-O 3.42Å; M314-K337 PolarHBondContact N-O 3.29Å; M314-K337 WeakPolarHBondContact O-CB 3.46Å; M314-L339 HydrophobicContact CE-CB 3.61Å; M314-L339 HydrophobicContact CE-CD2 3.6Å; M314-L339 HydrophobicContact CE-CG 4.25Å; M314-M358 HydrophobicContact SD-SD 4.42Å; M314-P371 HydrophobicContact SD-CB 4.33Å; M314-P371 HydrophobicContact SD-CG 3.88Å
315P94Very high96.2Very high28 Ų2844.6 Ų44.618%0.18226%0.255CS..  trans-56.7148.2171.5-25.135000112.2F282 G317 V318 P367F282-P315 HydrophobicContact CE1-CG 4.2Å; F282-P315 HydrophobicContact CE2-CG 4.48Å; F282-P315 HydrophobicContact CZ-CG 3.77Å; P315-G317 PolarHBondContact O-N 3.19Å; P315-V318 WeakPolarHBondContact O-CB 3.26Å; P315-V318 PolarHBondContact O-N 2.48Å; P315-P367 HydrophobicContact CB-CB 4.22Å; P315-P367 HydrophobicContact CB-CG 3.76Å; P315-P367 HydrophobicContact CG-CB 4Å; P315-P367 HydrophobicContact CG-CG 3.64Å
316K90.4Very high96.3Very high191 Ų19146.7 Ų46.783%0.8327%0.27SS*.THydrogen-bonded Turntrans-54.9-31.4-177.1-66.7-176180179.60113.7V318 K337K316-V318 PolarHBondContact O-N 2.7Å; K316-K337 WeakPolarHBondContact O-CE 3.46Å
317G90.6Very high96.3Very high20 Ų2046.2 Ų46.221%0.20627%0.268CS..THydrogen-bonded Turntrans-69.7-10.8177.900000115P315 L319 L360 Q361P315-G317 PolarHBondContact O-N 3.19Å; G317-L319 PolarHBondContact O-N 2.83Å; G317-L360 CarbonylContact O-C 3.57Å; G317-L360 WeakPolarHBondContact O-CA 3.37Å; G317-Q361 PolarHBondContact O-N 3.19Å
318V93.9Very high96.2Very high1 Ų146 Ų461%0.00627%0.265CS..EExtended strand (participates in β ladder)trans-77.9117.1174.7-178.60000109.5F282 M314 P315 K316 M321 F332 K337 M358 L360F282-V318 HydrophobicContact CE1-CG2 3.96Å; M314-V318 HydrophobicContact CB-CB 4.05Å; M314-V318 HydrophobicContact CB-CG1 4.36Å; M314-V318 HydrophobicContact CB-CG2 4.06Å; P315-V318 WeakPolarHBondContact O-CB 3.26Å; P315-V318 PolarHBondContact O-N 2.48Å; K316-V318 PolarHBondContact O-N 2.7Å; V318-M321 HydrophobicContact CG1-CG 4.05Å; V318-F332 HydrophobicContact CG1-CE1 4.39Å; V318-F332 HydrophobicContact CG1-CE2 4.45Å; V318-F332 HydrophobicContact CG1-CZ 3.87Å; V318-K337 WeakPolarHBondContact O-CD 3.4Å; V318-K337 WeakPolarHBondContact O-CE 3.09Å; V318-K337 PolarHBondContact O-NZ 3.08Å; V318-M358 HydrophobicContact CG1-CB 4.43Å; V318-M358 HydrophobicContact CG2-SD 4.46Å; V318-L360 HydrophobicContact CG2-CD2 3.8Å
319L94.4Very high96.2Very high83 Ų8350.5 Ų50.544%0.43529%0.293SS..EExtended strand (participates in β ladder)trans-90.9-41.1-179.4-61.8-178.1000112.2G317 S359 Q361G317-L319 PolarHBondContact O-N 2.83Å; L319-S359 PolarHBondContact N-O 2.73Å; L319-Q361 HydrophobicContact CD1-CB 4.22Å; L319-Q361 HydrophobicContact CD2-CB 4.32Å; L319-Q361 HydrophobicContact CG-CB 4.26Å
320N95.4Very high96.2Very high79 Ų7950.8 Ų50.842%0.42229%0.291SS..EExtended strand (participates in β ladder)trans-154.8165179.4-165.220.7000111S359N320-S359 PolarHBondContact N-O 3.11Å; N320-S359 PolarHBondContact O-N 3.13Å
321M96.6Very high96.2Very high10 Ų1055.1 Ų55.15%0.04932%0.318CS..EExtended strand (participates in β ladder)trans-130.9126.6174.2-54.7-175.18200110.5F291 M314 V318 L323 F332 L339 M358F291-M321 HydrophobicContact CB-CE 3.96Å; F291-M321 HydrophobicContact CD1-CE 4.03Å; F291-M321 HydrophobicContact CD2-CE 3.67Å; F291-M321 HydrophobicContact CE1-CE 4.4Å; F291-M321 HydrophobicContact CE2-CE 4.1Å; F291-M321 HydrophobicContact CG-CE 3.61Å; F291-M321 HydrophobicContact CZ-CE 4.4Å; M314-M321 HydrophobicContact CE-CE 3.81Å; M314-M321 HydrophobicContact CE-SD 4Å; M314-M321 HydrophobicContact CG-SD 3.95Å; M314-M321 HydrophobicContact SD-CE 4.1Å; M314-M321 HydrophobicContact SD-SD 4.27Å; V318-M321 HydrophobicContact CG1-CG 4.05Å; M321-L323 HydrophobicContact CB-CD1 4.11Å; M321-L323 HydrophobicContact CB-CD2 4.33Å; M321-L323 HydrophobicContact CB-CG 3.9Å; M321-L323 HydrophobicContact CE-CD1 3.77Å; M321-L323 HydrophobicContact CE-CD2 4.2Å; M321-L323 HydrophobicContact CE-CG 4.39Å; M321-L323 HydrophobicContact SD-CD1 4.21Å; M321-F332 HydrophobicContact CB-CB 4.39Å; M321-F332 HydrophobicContact CB-CD1 4.48Å; M321-F332 HydrophobicContact CB-CG 4.3Å; M321-F332 HydrophobicContact CG-CB 4.41Å; M321-F332 HydrophobicContact CG-CD1 4.07Å; M321-F332 HydrophobicContact CG-CD2 3.96Å; M321-F332 HydrophobicContact CG-CE1 4.33Å; M321-F332 HydrophobicContact CG-CE2 4.23Å; M321-F332 HydrophobicContact CG-CG 3.86Å; M321-F332 HydrophobicContact CG-CZ 4.41Å; M321-F332 HydrophobicContact SD-CB 4.43Å; M321-F332 HydrophobicContact SD-CD2 3.6Å; M321-F332 VanDerWaalsContact SD-CD2 3.6Å; M321-F332 HydrophobicContact SD-CE2 4Å; M321-F332 HydrophobicContact SD-CG 4.01Å; M321-L339 HydrophobicContact CE-CD2 4.06Å; M321-L339 HydrophobicContact SD-CB 4.1Å; M321-L339 HydrophobicContact SD-CD1 4Å; M321-L339 HydrophobicContact SD-CD2 4.12Å; M321-L339 HydrophobicContact SD-CG 4.29Å; M321-M358 HydrophobicContact CE-CG 3.61Å; M321-M358 HydrophobicContact CE-SD 3.8Å; M321-M358 HydrophobicContact CG-CG 4.3Å
322S96.6Very high96.2Very high70 Ų7054.4 Ų54.449%0.4931%0.311SS..EExtended strand (participates in β ladder)trans-106.187.8174.1-65.90000108.5G356 T357S322-G356 WeakPolarHBondContact O-CA 3.29Å; S322-T357 PolarHBondContact N-O 3.1Å; S322-T357 PolarHBondContact O-N 3.2Å
323L98.1Very high96.2Very high14 Ų1457.3 Ų57.37%0.07333%0.326CS..EExtended strand (participates in β ladder)trans-112.8151-174.2-48.1177000112F291 M321 H330 L339 L354 K355F291-L323 HydrophobicContact CB-CD2 3.96Å; F291-L323 HydrophobicContact CD1-CD1 3.94Å; F291-L323 HydrophobicContact CD1-CD2 3.99Å; F291-L323 HydrophobicContact CE1-CD1 4.2Å; F291-L323 HydrophobicContact CG-CD2 4.33Å; M321-L323 HydrophobicContact CB-CD1 4.11Å; M321-L323 HydrophobicContact CB-CD2 4.33Å; M321-L323 HydrophobicContact CB-CG 3.9Å; M321-L323 HydrophobicContact CE-CD1 3.77Å; M321-L323 HydrophobicContact CE-CD2 4.2Å; M321-L323 HydrophobicContact CE-CG 4.39Å; M321-L323 HydrophobicContact SD-CD1 4.21Å; L323-H330 PolarHBondContact O-CE1 2.9Å; L323-L339 HydrophobicContact CD1-CD1 3.8Å; L323-L339 HydrophobicContact CD1-CD2 4.06Å; L323-L354 HydrophobicContact CB-CD1 3.58Å; L323-L354 HydrophobicContact CB-CG 4.1Å; L323-L354 HydrophobicContact CD1-CD1 4.2Å; L323-L354 HydrophobicContact CD1-CD2 3.78Å; L323-L354 HydrophobicContact CD1-CG 3.94Å; L323-K355 CarbonylContact C-O 3.57Å; L323-K355 WeakPolarHBondContact CA-O 3.37Å
324T98.3Very high96.1Very high97 Ų9756 Ų5660%0.59533%0.326SS*.EExtended strand (participates in β ladder)trans-122.3111.1175.8-54.10000109.1K355T324-K355 PolarHBondContact N-O 2.8Å; T324-K355 PolarHBondContact O-N 3.3Å
325P97.8Very high96Very high37 Ų3761.8 Ų61.824%0.2436%0.361CS..EExtended strand (participates in β ladder)trans-76.2140.4172.828.4-30.2000110.5Q327 G328 N353 L354P325-Q327 VanDerWaalsContact C-N 3.27Å; P325-Q327 WeakPolarHBondContact CB-O 3.34Å; P325-G328 WeakPolarHBondContact CG-O 3.22Å; P325-N353 CarbonylContact C-O 3.57Å; P325-N353 WeakPolarHBondContact CA-O 3.33Å; P325-L354 HydrophobicContact CB-CD1 3.91Å; P325-L354 HydrophobicContact CG-CD1 4.47Å
326S97.3Very high96.1Very high48 Ų4863.8 Ų63.834%0.33637%0.373SS..SBendtrans-78.8-17165.575.80000112.6N353S326-N353 WeakPolarHBondContact CB-ND2 3.35Å; S326-N353 PolarHBondContact N-O 2.82Å; S326-N353 PolarHBondContact OG-N 2.86Å; S326-N353 PolarHBondContact OG-ND2 3.39Å; S326-N353 PolarHBondContact OG-O 2.92Å
327Q97Very high96.4Very high55 Ų5556.3 Ų56.326%0.25734%0.34SS..SBendtrans-157.6143.1-179.9176.1176.1-28.900109.1P325 W341 V343 K345 P352P325-Q327 VanDerWaalsContact C-N 3.27Å; P325-Q327 WeakPolarHBondContact CB-O 3.34Å; Q327-W341 PolarHBondContact O-NE1 2.83Å; Q327-V343 PolarHBondContact NE2-O 3.05Å; Q327-K345 PolarHBondContact NE2-O 2.93Å; Q327-P352 HydrophobicContact CB-CB 3.97Å
328G96.6Very high96.7Very high39 Ų3959.2 Ų59.240%0.40235%0.35SS..SBendtrans78-169176.300000113.3P325 D342P325-G328 WeakPolarHBondContact CG-O 3.22Å; G328-D342 CarbonylContact C-O 3.58Å; G328-D342 WeakPolarHBondContact CA-O 3.25Å
329T98Very high96.9Very high97 Ų9759.4 Ų59.460%0.59535%0.351SS*.EExtended strand (participates in β ladder)trans-127.3150-176.955.40000110.4D342T329-D342 PolarHBondContact N-O 3.01Å; T329-D342 PolarHBondContact O-N 2.91Å
330H98.3Very high97.1Very high51 Ų5157 Ų5724%0.23634%0.341CS..EExtended strand (participates in β ladder)trans-128.2153.9178.377.2-73000110.6L323 S340 W341 L354L323-H330 PolarHBondContact O-CE1 2.9Å; H330-S340 CarbonylContact C-O 3.57Å; H330-S340 WeakPolarHBondContact CA-O 3.36Å; H330-S340 WeakPolarHBondContact CB-O 3.39Å; H330-W341 HydrophobicContact CB-CB 4.26Å; H330-L354 HydrophobicContact CB-CD1 4.32Å; H330-L354 HydrophobicContact CB-CD2 4.2Å
331T98.2Very high97.3Very high96 Ų9653.4 Ų53.459%0.58932%0.321SS*.EExtended strand (participates in β ladder)trans-136.1140.417354.40000108.7S340T331-S340 PolarHBondContact N-O 3.38Å; T331-S340 PolarHBondContact O-N 2.94Å
332F98.3Very high97.4Very high28 Ų2856.8 Ų56.812%0.12334%0.34CS..EExtended strand (participates in β ladder)trans-122.4122.1170.2175.1-108.8000108.2M314 V318 M321 P334 K337 L339M314-F332 HydrophobicContact CB-CE2 4.05Å; M314-F332 HydrophobicContact CG-CD2 4.42Å; M314-F332 HydrophobicContact CG-CE2 3.76Å; V318-F332 HydrophobicContact CG1-CE1 4.39Å; V318-F332 HydrophobicContact CG1-CE2 4.45Å; V318-F332 HydrophobicContact CG1-CZ 3.87Å; M321-F332 HydrophobicContact CB-CB 4.39Å; M321-F332 HydrophobicContact CB-CD1 4.48Å; M321-F332 HydrophobicContact CB-CG 4.3Å; M321-F332 HydrophobicContact CG-CB 4.41Å; M321-F332 HydrophobicContact CG-CD1 4.07Å; M321-F332 HydrophobicContact CG-CD2 3.96Å; M321-F332 HydrophobicContact CG-CE1 4.33Å; M321-F332 HydrophobicContact CG-CE2 4.23Å; M321-F332 HydrophobicContact CG-CG 3.86Å; M321-F332 HydrophobicContact CG-CZ 4.41Å; M321-F332 HydrophobicContact SD-CB 4.43Å; M321-F332 HydrophobicContact SD-CD2 3.6Å; M321-F332 VanDerWaalsContact SD-CD2 3.6Å; M321-F332 HydrophobicContact SD-CE2 4Å; M321-F332 HydrophobicContact SD-CG 4.01Å; F332-P334 HydrophobicContact CE1-CB 4.06Å; F332-P334 WeakPolarHBondContact O-CD 3.33Å; F332-K337 HydrophobicContact CZ-CD 4.23Å; F332-L339 HydrophobicContact CB-CD1 4.33Å; F332-L339 HydrophobicContact CD2-CB 4.21Å
333D97.3Very high97.4Very high63 Ų6353.7 Ų53.734%0.33732%0.318SS..EExtended strand (participates in β ladder)trans-91.8111.5173.1176.70.5000109.4V335 T336 K337 M338D333-V335 PolarHBondContact O-N 3.43Å; D333-V335 WeakPolarHBondContact OD1-CB 3.34Å; D333-V335 PolarHBondContact OD1-N 2.9Å; D333-T336 VanDerWaalsContact CB-OG1 3.31Å; D333-T336 WeakPolarHBondContact CB-OG1 3.3Å; D333-T336 PolarHBondContact OD1-N 3.19Å; D333-T336 WeakPolarHBondContact OD2-CB 3.2Å; D333-T336 WeakPolarHBondContact OD2-CG2 3.44Å; D333-T336 PolarHBondContact OD2-N 3.45Å; D333-T336 PolarHBondContact OD2-OG1 3.44Å; D333-K337 WeakPolarHBondContact O-CA 3.45Å; D333-K337 PolarHBondContact O-N 3.09Å; D333-M338 PolarHBondContact N-O 3.17Å; D333-M338 PolarHBondContact O-N 3.31Å
334P95.1Very high97.4Very high65 Ų6554.2 Ų54.242%0.42233%0.326SS..THydrogen-bonded Turntrans-71.7-13.1-178.931.2-36.5000113.7F332 K337F332-P334 HydrophobicContact CE1-CB 4.06Å; F332-P334 WeakPolarHBondContact O-CD 3.33Å; P334-K337 VanDerWaalsContact O-CD 3.31Å; P334-K337 WeakPolarHBondContact O-CD 3.1Å; P334-K337 WeakPolarHBondContact O-CE 2.95Å; P334-K337 PolarHBondContact O-NZ 3.41Å
335V94.7Very high97.3Very high126 Ų12655.7 Ų55.776%0.76433%0.325SS*.THydrogen-bonded Turntrans-84.6-59.2177.21800000109.7D333 K337D333-V335 PolarHBondContact O-N 3.43Å; D333-V335 WeakPolarHBondContact OD1-CB 3.34Å; D333-V335 PolarHBondContact OD1-N 2.9Å; V335-K337 PolarHBondContact O-N 3.28Å
336T95.6Very high97.1Very high69 Ų6954.1 Ų54.142%0.42331%0.314SS..THydrogen-bonded Turntrans-75.3-14.2178.561.80000112.7Q313 D333 M338Q313-T336 PolarHBondContact NE2-O 3.28Å; D333-T336 VanDerWaalsContact CB-OG1 3.31Å; D333-T336 WeakPolarHBondContact CB-OG1 3.3Å; D333-T336 PolarHBondContact OD1-N 3.19Å; D333-T336 WeakPolarHBondContact OD2-CB 3.2Å; D333-T336 WeakPolarHBondContact OD2-CG2 3.44Å; D333-T336 PolarHBondContact OD2-N 3.45Å; D333-T336 PolarHBondContact OD2-OG1 3.44Å; T336-M338 PolarHBondContact O-N 3.36Å; T336-M338 PolarHBondContact OG1-N 2.94Å
337K96.1Very high96.6Very high34 Ų3455.6 Ų55.615%0.14832%0.318CS..THydrogen-bonded Turntrans62.723.2-173.2-48.9-62.6-177.5-172.60113.5M314 K316 V318 F332 D333 P334 V335M314-K337 HydrophobicContact CB-CB 4.32Å; M314-K337 WeakPolarHBondContact CB-O 3.42Å; M314-K337 PolarHBondContact N-O 3.29Å; M314-K337 WeakPolarHBondContact O-CB 3.46Å; K316-K337 WeakPolarHBondContact O-CE 3.46Å; V318-K337 WeakPolarHBondContact O-CD 3.4Å; V318-K337 WeakPolarHBondContact O-CE 3.09Å; V318-K337 PolarHBondContact O-NZ 3.08Å; F332-K337 HydrophobicContact CZ-CD 4.23Å; D333-K337 WeakPolarHBondContact O-CA 3.45Å; D333-K337 PolarHBondContact O-N 3.09Å; P334-K337 VanDerWaalsContact O-CD 3.31Å; P334-K337 WeakPolarHBondContact O-CD 3.1Å; P334-K337 WeakPolarHBondContact O-CE 2.95Å; P334-K337 PolarHBondContact O-NZ 3.41Å; V335-K337 PolarHBondContact O-N 3.28Å
338M97.6Very high95.8Very high82 Ų8256.4 Ų56.440%0.40433%0.328SS..EExtended strand (participates in β ladder)trans-91.2120.9-179-167.6171-6500111.1D333 T336D333-M338 PolarHBondContact N-O 3.17Å; D333-M338 PolarHBondContact O-N 3.31Å; T336-M338 PolarHBondContact O-N 3.36Å; T336-M338 PolarHBondContact OG1-N 2.94Å
339L98.4Very high95.3Very high4 Ų462.2 Ų62.22%0.02135%0.345CS..EExtended strand (participates in β ladder)trans-88.9131.4163.7175.170.1000109F291 T311 S312 M314 M321 L323 F332 L354F291-L339 HydrophobicContact CD1-CD2 4.43Å; F291-L339 HydrophobicContact CE1-CD2 3.51Å; F291-L339 HydrophobicContact CE2-CD2 4.13Å; F291-L339 HydrophobicContact CZ-CD2 3.29Å; T311-L339 CarbonylContact C-O 3.55Å; T311-L339 VanDerWaalsContact CA-O 3.26Å; T311-L339 WeakPolarHBondContact CA-O 3.19Å; S312-L339 PolarHBondContact N-O 3.28Å; S312-L339 PolarHBondContact O-N 3Å; M314-L339 HydrophobicContact CE-CB 3.61Å; M314-L339 HydrophobicContact CE-CD2 3.6Å; M314-L339 HydrophobicContact CE-CG 4.25Å; M321-L339 HydrophobicContact CE-CD2 4.06Å; M321-L339 HydrophobicContact SD-CB 4.1Å; M321-L339 HydrophobicContact SD-CD1 4Å; M321-L339 HydrophobicContact SD-CD2 4.12Å; M321-L339 HydrophobicContact SD-CG 4.29Å; L323-L339 HydrophobicContact CD1-CD1 3.8Å; L323-L339 HydrophobicContact CD1-CD2 4.06Å; F332-L339 HydrophobicContact CB-CD1 4.33Å; F332-L339 HydrophobicContact CD2-CB 4.21Å; L339-L354 HydrophobicContact CD2-CD2 4.28Å
340S98.3Very high94.8Very high34 Ų3464.4 Ų64.424%0.23835%0.346CS..EExtended strand (participates in β ladder)trans-125134.8169.7-62.40000110.3V310 H330 T331V310-S340 CarbonylContact O-C 3.54Å; V310-S340 WeakPolarHBondContact O-CA 3.45Å; H330-S340 CarbonylContact C-O 3.57Å; H330-S340 WeakPolarHBondContact CA-O 3.36Å; H330-S340 WeakPolarHBondContact CB-O 3.39Å; T331-S340 PolarHBondContact N-O 3.38Å; T331-S340 PolarHBondContact O-N 2.94Å
341W98.6Very high94.6Very high2 Ų263.8 Ų63.81%0.00835%0.347CS..EExtended strand (participates in β ladder)trans-129.7111.7175.1175.432.3000109.7I293 V295 T309 V310 Q327 H330 V343 P352 L354I293-W341 HydrophobicContact CG2-CZ3 4.23Å; V295-W341 HydrophobicContact CG2-CZ3 3.94Å; T309-W341 CarbonylContact C-O 3.56Å; T309-W341 WeakPolarHBondContact CA-O 3.26Å; V310-W341 HydrophobicContact CB-CB 4.29Å; V310-W341 HydrophobicContact CB-CE3 4Å; V310-W341 HydrophobicContact CG2-CE3 3.79Å; V310-W341 HydrophobicContact CG2-CZ3 4.23Å; V310-W341 PolarHBondContact N-O 3.05Å; V310-W341 PolarHBondContact O-N 2.87Å; Q327-W341 PolarHBondContact O-NE1 2.83Å; H330-W341 HydrophobicContact CB-CB 4.26Å; W341-V343 HydrophobicContact CD2-CG2 3.58Å; W341-V343 VanDerWaalsContact CE2-CG2 3.5Å; W341-V343 HydrophobicContact CE3-CG2 3.86Å; W341-V343 HydrophobicContact CG-CG2 4.14Å; W341-V343 HydrophobicContact CH2-CG2 3.96Å; W341-V343 HydrophobicContact CZ2-CG2 3.71Å; W341-V343 HydrophobicContact CZ3-CG2 4.03Å; W341-P352 HydrophobicContact CH2-CB 3.89Å; W341-P352 HydrophobicContact CZ2-CB 3.85Å; W341-L354 HydrophobicContact CB-CD2 3.86Å; W341-L354 HydrophobicContact CD2-CB 3.87Å; W341-L354 HydrophobicContact CD2-CD2 3.95Å; W341-L354 HydrophobicContact CD2-CG 4.48Å; W341-L354 HydrophobicContact CE3-CB 3.87Å; W341-L354 HydrophobicContact CE3-CD2 4.2Å; W341-L354 HydrophobicContact CG-CD2 3.81Å; W341-L354 HydrophobicContact CH2-CB 4.11Å; W341-L354 HydrophobicContact CZ2-CB 4.08Å; W341-L354 HydrophobicContact CZ3-CB 3.99Å
342D98.4Very high94.6Very high82 Ų8259.2 Ų59.244%0.43932%0.319SS..EExtended strand (participates in β ladder)trans-89.4107.6173.2-174.6-2.9000109.2G328 T329 G344G328-D342 CarbonylContact C-O 3.58Å; G328-D342 WeakPolarHBondContact CA-O 3.25Å; T329-D342 PolarHBondContact N-O 3.01Å; T329-D342 PolarHBondContact O-N 2.91Å; D342-G344 PolarHBondContact OD1-N 3.4Å; D342-G344 VanDerWaalsContact OD1-N 3.12Å
343V98.1Very high94.5Very high5 Ų559.6 Ų59.63%0.0332%0.322CS..EExtended strand (participates in β ladder)trans-88-30.9-178.2-177.30000110.9V308 V310 Q327 W341 I346 P352V308-V343 HydrophobicContact CB-CB 3.94Å; V308-V343 HydrophobicContact CB-CG1 4.41Å; V308-V343 HydrophobicContact CB-CG2 4.48Å; V308-V343 HydrophobicContact CG1-CB 4.01Å; V308-V343 HydrophobicContact CG1-CG1 4.49Å; V308-V343 HydrophobicContact CG1-CG2 4.01Å; V308-V343 WeakPolarHBondContact O-CB 3.43Å; V308-V343 PolarHBondContact O-N 2.62Å; V310-V343 HydrophobicContact CG2-CG2 4.33Å; Q327-V343 PolarHBondContact NE2-O 3.05Å; W341-V343 HydrophobicContact CD2-CG2 3.58Å; W341-V343 VanDerWaalsContact CE2-CG2 3.5Å; W341-V343 HydrophobicContact CE3-CG2 3.86Å; W341-V343 HydrophobicContact CG-CG2 4.14Å; W341-V343 HydrophobicContact CH2-CG2 3.96Å; W341-V343 HydrophobicContact CZ2-CG2 3.71Å; W341-V343 HydrophobicContact CZ3-CG2 4.03Å; V343-I346 HydrophobicContact CG1-CG1 4.28Å; V343-P352 HydrophobicContact CG1-CB 3.66Å; V343-P352 HydrophobicContact CG1-CG 3.5Å; V343-P352 VanDerWaalsContact CG1-CG 3.5Å
344G96.9Very high94.6Very high24 Ų2456.6 Ų56.625%0.24731%0.306CS..EExtended strand (participates in β ladder)trans70.8-123.8-169.900000113.1G307 V308 D342G307-G344 PolarHBondContact N-O 2.94Å; V308-G344 WeakPolarHBondContact CB-O 3.29Å; V308-G344 PolarHBondContact N-O 3.36Å; V308-G344 PolarHBondContact O-N 3.43Å; D342-G344 PolarHBondContact OD1-N 3.4Å; D342-G344 VanDerWaalsContact OD1-N 3.12Å
345K96.2Very high94.7Very high129 Ų12958.5 Ų58.556%0.56131%0.308SS*.SBendtrans-95124.2-175.2-175.8178178.7175.30111.6T304 E306 Q327 N347T304-K345 HydrophobicContact CG2-CD 4.1Å; T304-K345 HydrophobicContact CG2-CG 3.67Å; E306-K345 HydrophobicContact CB-CG 4.48Å; Q327-K345 PolarHBondContact NE2-O 2.93Å; K345-N347 PolarHBondContact O-N 3.45Å
346I94.5Very high94.9Very high4 Ų453.6 Ų53.62%0.02128%0.283CS..  trans-77.1127.5-179.3-64.3-176.6000110.7V295 I305 V308 V343 P352V295-I346 HydrophobicContact CG1-CD1 3.87Å; I305-I346 HydrophobicContact CB-CB 4.4Å; I305-I346 HydrophobicContact CB-CD1 4.33Å; I305-I346 HydrophobicContact CD1-CD1 4.14Å; I305-I346 HydrophobicContact CG2-CD1 4.41Å; I305-I346 PolarHBondContact O-N 2.81Å; V308-I346 HydrophobicContact CB-CD1 4.4Å; V308-I346 HydrophobicContact CB-CG1 4.37Å; V308-I346 HydrophobicContact CG1-CD1 4.23Å; V308-I346 HydrophobicContact CG2-CD1 3.78Å; V308-I346 HydrophobicContact CG2-CG1 3.81Å; V343-I346 HydrophobicContact CG1-CG1 4.28Å; I346-P352 HydrophobicContact CD1-CG 4.48Å; I346-P352 HydrophobicContact CG1-CG 4.15Å
347N86.1Confident94.9Very high78 Ų7853.4 Ų53.442%0.41728%0.282SS..  trans-90.9114.6167.5-176.7-31.9000109.4K345 Q349 K350K345-N347 PolarHBondContact O-N 3.45Å; N347-Q349 PolarHBondContact O-N 3.24Å; N347-Q349 WeakPolarHBondContact OD1-CB 3.46Å; N347-Q349 PolarHBondContact OD1-N 2.77Å; N347-Q349 PolarHBondContact OD1-OE1 2.64Å; N347-K350 CarbonylContact O-C 3.56Å; N347-K350 PolarHBondContact O-N 2.97Å
348P80Confident94.8Very high73 Ų7351.8 Ų51.847%0.47428%0.275SS..THydrogen-bonded Turntrans-59.2-30.2-176.7-25.935.2000114.8P297 K350P297-P348 HydrophobicContact CG-CB 4.04Å; P297-P348 HydrophobicContact CG-CG 4.41Å; P348-K350 VanDerWaalsContact C-N 3.31Å; P348-K350 PolarHBondContact O-N 3.31Å
349Q85.8Confident94.6Very high161 Ų16149.8 Ų49.875%0.75227%0.269SS*.THydrogen-bonded Turntrans-71.7-25.8-176.7-71.177.90.500112.8N347N347-Q349 PolarHBondContact O-N 3.24Å; N347-Q349 WeakPolarHBondContact OD1-CB 3.46Å; N347-Q349 PolarHBondContact OD1-N 2.77Å; N347-Q349 PolarHBondContact OD1-OE1 2.64Å
350K89.1Confident94.4Very high143 Ų14350.6 Ų50.662%0.62227%0.273SS*.SBendtrans-138.687179.9-170.6179.2-179.6-177.20109.4N347 P348N347-K350 CarbonylContact O-C 3.56Å; N347-K350 PolarHBondContact O-N 2.97Å; P348-K350 VanDerWaalsContact C-N 3.31Å; P348-K350 PolarHBondContact O-N 3.31Å
351P93.7Very high93.9Very high38 Ų3854.2 Ų54.225%0.24729%0.286CS..  trans-54.6127.6179.7-27.635.4000111.4Y275 T294Y275-P351 WeakPolarHBondContact OH-CG 3.32Å; T294-P351 HydrophobicContact CG2-CB 3.76Å
352P97.4Very high93.3Very high0 Ų058.3 Ų58.30%032%0.32CS..  trans-62.2139.1178.825.1-35.8000110.8T294 V295 Q327 W341 V343 I346T294-P352 WeakPolarHBondContact CA-O 3.37Å; T294-P352 WeakPolarHBondContact CG2-O 3.07Å; V295-P352 PolarHBondContact N-O 2.88Å; V295-P352 WeakPolarHBondContact O-CD 3.46Å; V295-P352 WeakPolarHBondContact O-CG 3.49Å; Q327-P352 HydrophobicContact CB-CB 3.97Å; W341-P352 HydrophobicContact CH2-CB 3.89Å; W341-P352 HydrophobicContact CZ2-CB 3.85Å; V343-P352 HydrophobicContact CG1-CB 3.66Å; V343-P352 HydrophobicContact CG1-CG 3.5Å; V343-P352 VanDerWaalsContact CG1-CG 3.5Å; I346-P352 HydrophobicContact CD1-CG 4.48Å; I346-P352 HydrophobicContact CG1-CG 4.15Å
353N97.4Very high92.5Very high35 Ų3558.2 Ų58.219%0.18734%0.339CS..EExtended strand (participates in β ladder)trans-130.4152.9173.564.186.1000111.9I293 T294 P325 S326I293-N353 CarbonylContact O-C 3.49Å; I293-N353 WeakPolarHBondContact O-CA 3.41Å; I293-N353 WeakPolarHBondContact O-CB 3.36Å; T294-N353 HydrophobicContact CG2-CB 4.47Å; T294-N353 WeakPolarHBondContact OG1-CB 3.49Å; P325-N353 CarbonylContact C-O 3.57Å; P325-N353 WeakPolarHBondContact CA-O 3.33Å; S326-N353 WeakPolarHBondContact CB-ND2 3.35Å; S326-N353 PolarHBondContact N-O 2.82Å; S326-N353 PolarHBondContact OG-N 2.86Å; S326-N353 PolarHBondContact OG-ND2 3.39Å; S326-N353 PolarHBondContact OG-O 2.92Å
354L98.4Very high91.6Very high1 Ų159.9 Ų59.91%0.00535%0.353CS..EExtended strand (participates in β ladder)trans-129.6119.6171.9178.464.1000107.5F291 E292 I293 L323 P325 H330 L339 W341F291-L354 HydrophobicContact CE1-CD2 4.22Å; E292-L354 CarbonylContact C-O 3.54Å; E292-L354 WeakPolarHBondContact CA-O 3.19Å; I293-L354 PolarHBondContact N-O 2.8Å; I293-L354 PolarHBondContact O-N 2.74Å; L323-L354 HydrophobicContact CB-CD1 3.58Å; L323-L354 HydrophobicContact CB-CG 4.1Å; L323-L354 HydrophobicContact CD1-CD1 4.2Å; L323-L354 HydrophobicContact CD1-CD2 3.78Å; L323-L354 HydrophobicContact CD1-CG 3.94Å; P325-L354 HydrophobicContact CB-CD1 3.91Å; P325-L354 HydrophobicContact CG-CD1 4.47Å; H330-L354 HydrophobicContact CB-CD1 4.32Å; H330-L354 HydrophobicContact CB-CD2 4.2Å; L339-L354 HydrophobicContact CD2-CD2 4.28Å; W341-L354 HydrophobicContact CB-CD2 3.86Å; W341-L354 HydrophobicContact CD2-CB 3.87Å; W341-L354 HydrophobicContact CD2-CD2 3.95Å; W341-L354 HydrophobicContact CD2-CG 4.48Å; W341-L354 HydrophobicContact CE3-CB 3.87Å; W341-L354 HydrophobicContact CE3-CD2 4.2Å; W341-L354 HydrophobicContact CG-CD2 3.81Å; W341-L354 HydrophobicContact CH2-CB 4.11Å; W341-L354 HydrophobicContact CZ2-CB 4.08Å; W341-L354 HydrophobicContact CZ3-CB 3.99Å
355K98.2Very high90.8Very high105 Ų10563.9 Ų63.946%0.45738%0.377SS..EExtended strand (participates in β ladder)trans-140.8149.8-175.166.6-175.5-179.3-178.90112.8F291 E292 L323 T324F291-K355 CarbonylContact O-C 3.5Å; F291-K355 VanDerWaalsContact O-CA 3.25Å; F291-K355 WeakPolarHBondContact O-CA 3.36Å; E292-K355 HydrophobicContact CB-CB 4.15Å; E292-K355 HydrophobicContact CG-CB 3.97Å; L323-K355 CarbonylContact C-O 3.57Å; L323-K355 WeakPolarHBondContact CA-O 3.37Å; T324-K355 PolarHBondContact N-O 2.8Å; T324-K355 PolarHBondContact O-N 3.3Å
356G97.3Very high90.3Very high23 Ų2363 Ų6324%0.23737%0.373CS..EExtended strand (participates in β ladder)trans164.5-151.3175.400000113.2F291 S322F291-G356 PolarHBondContact N-O 2.9Å; F291-G356 PolarHBondContact O-N 2.92Å; S322-G356 WeakPolarHBondContact O-CA 3.29Å
357T95.8Very high89.9Confident65 Ų6564.3 Ų64.340%0.39938%0.382SS..EExtended strand (participates in β ladder)trans-117.8148.3-174.856.10000111.5G289 S322G289-T357 CarbonylContact O-C 3.55Å; G289-T357 VanDerWaalsContact O-CA 3.28Å; G289-T357 WeakPolarHBondContact O-CA 3.22Å; S322-T357 PolarHBondContact N-O 3.1Å; S322-T357 PolarHBondContact O-N 3.2Å
358M95.3Very high89.9Confident0 Ų068.7 Ų68.70%041%0.405CS..EExtended strand (participates in β ladder)trans-107.3129.7172.9-61.1-178.6-67.100108.4I280 F282 L288 G289 R290 F291 M314 V318 M321 L360I280-M358 HydrophobicContact CG2-CE 4.09Å; F282-M358 HydrophobicContact CD1-CE 4Å; F282-M358 HydrophobicContact CE1-CE 3.53Å; F282-M358 HydrophobicContact CE1-SD 4.14Å; F282-M358 HydrophobicContact CE2-CE 4.35Å; F282-M358 HydrophobicContact CZ-CE 3.72Å; F282-M358 HydrophobicContact CZ-SD 4.27Å; L288-M358 CarbonylContact C-O 3.52Å; L288-M358 WeakPolarHBondContact CA-O 3.32Å; G289-M358 PolarHBondContact N-O 3.05Å; G289-M358 PolarHBondContact O-N 3.3Å; R290-M358 WeakPolarHBondContact O-CE 3.38Å; F291-M358 HydrophobicContact CB-CE 4.45Å; F291-M358 HydrophobicContact CB-CG 3.94Å; F291-M358 HydrophobicContact CB-SD 4.05Å; F291-M358 HydrophobicContact CD2-SD 4.07Å; F291-M358 HydrophobicContact CG-SD 4.49Å; M314-M358 HydrophobicContact SD-SD 4.42Å; V318-M358 HydrophobicContact CG1-CB 4.43Å; V318-M358 HydrophobicContact CG2-SD 4.46Å; M321-M358 HydrophobicContact CE-CG 3.61Å; M321-M358 HydrophobicContact CE-SD 3.8Å; M321-M358 HydrophobicContact CG-CG 4.3Å; M358-L360 HydrophobicContact CB-CD2 4.34Å
359S93.8Very high90.2Very high40 Ų4073 Ų7328%0.2842%0.419SS..EExtended strand (participates in β ladder)trans-85.7123.8171.2-60.10000109L319 N320L319-S359 PolarHBondContact N-O 2.73Å; N320-S359 PolarHBondContact N-O 3.11Å; N320-S359 PolarHBondContact O-N 3.13Å
360L92.2Very high90.4Very high20 Ų2067.3 Ų67.311%0.10539%0.394CS..EExtended strand (participates in β ladder)trans-106.5149.9-177.6-53.8177.6000110.4F282 S287 G317 V318 M358 A362F282-L360 HydrophobicContact CD1-CD1 3.98Å; F282-L360 HydrophobicContact CD1-CD2 3.84Å; F282-L360 HydrophobicContact CE1-CD2 4.01Å; S287-L360 PolarHBondContact O-N 3.15Å; G317-L360 CarbonylContact O-C 3.57Å; G317-L360 WeakPolarHBondContact O-CA 3.37Å; V318-L360 HydrophobicContact CG2-CD2 3.8Å; M358-L360 HydrophobicContact CB-CD2 4.34Å; L360-A362 PolarHBondContact O-N 3.01Å
361Q89.8Confident90.7Very high111 Ų11161 Ų6152%0.51937%0.367SS..  trans-59.5133.4170.1-178.9176.7-9.900110.2G317 L319 G363 A364G317-Q361 PolarHBondContact O-N 3.19Å; L319-Q361 HydrophobicContact CD1-CB 4.22Å; L319-Q361 HydrophobicContact CD2-CB 4.32Å; L319-Q361 HydrophobicContact CG-CB 4.26Å; Q361-G363 PolarHBondContact O-N 3.29Å; Q361-A364 HydrophobicContact CB-CB 4.23Å; Q361-A364 WeakPolarHBondContact O-CB 3.33Å; Q361-A364 PolarHBondContact O-N 3.05Å
362A85.9Confident90.8Very high87 Ų8761.4 Ų61.472%0.71937%0.369SS*.THydrogen-bonded Turntrans-59.1131.7179.700000110.8L360 A364L360-A362 PolarHBondContact O-N 3.01Å; A362-A364 PolarHBondContact O-N 2.71Å
363G80Confident90.8Very high81 Ų8161.4 Ų61.484%0.83537%0.369SS*.THydrogen-bonded Turntrans73.76.2-177.900000115Q361 S365Q361-G363 PolarHBondContact O-N 3.29Å; G363-S365 PolarHBondContact O-N 2.73Å
364A79.7Confident90.9Very high39 Ų3962.2 Ų62.232%0.32237%0.374SS..PPolyproline II helixtrans-63.5135.4173.100000110.6Q361 A362Q361-A364 HydrophobicContact CB-CB 4.23Å; Q361-A364 WeakPolarHBondContact O-CB 3.33Å; Q361-A364 PolarHBondContact O-N 3.05Å; A362-A364 PolarHBondContact O-N 2.71Å
365S81.2Confident90.9Very high108 Ų10862.2 Ų62.276%0.75537%0.374SS*.PPolyproline II helixtrans-66.4152.2168.856.70000110.1G363G363-S365 PolarHBondContact O-N 2.73Å
366K84.3Confident90.9Very high112 Ų11262 Ų6249%0.48737%0.374SS..PPolyproline II helixtrans-54.7135.6165.9175.9175.2174.3-1690109.3F282 D284F282-K366 HydrophobicContact CB-CG 4.18Å; D284-K366 WeakPolarHBondContact OD1-CB 3.38Å
367P86.6Confident90.9Very high30 Ų3061.1 Ų61.120%0.19536%0.364CS..PPolyproline II helixtrans-59.5144.2171.9-21.432.1000111.4F282 P315 E369F282-P367 HydrophobicContact CD1-CG 3.99Å; F282-P367 HydrophobicContact CD2-CG 3.95Å; F282-P367 HydrophobicContact CE1-CG 4.05Å; F282-P367 HydrophobicContact CE2-CG 4.02Å; F282-P367 HydrophobicContact CG-CG 3.95Å; F282-P367 HydrophobicContact CZ-CG 4.09Å; P315-P367 HydrophobicContact CB-CB 4.22Å; P315-P367 HydrophobicContact CB-CG 3.76Å; P315-P367 HydrophobicContact CG-CB 4Å; P315-P367 HydrophobicContact CG-CG 3.64Å; P367-E369 WeakPolarHBondContact CB-O 3.49Å; P367-E369 PolarHBondContact O-N 2.88Å
368D85.6Confident91Very high171 Ų17163 Ų6391%0.91437%0.367SS*.SBendtrans-60.5-33.7176.8-61.9-38.5000111.7
369E86.4Confident91.1Very high163 Ų16363 Ų6376%0.76237%0.367SS*.SBendtrans-136148.7180-61.3-174.817000111.6P367P367-E369 WeakPolarHBondContact CB-O 3.49Å; P367-E369 PolarHBondContact O-N 2.88Å
370N91.2Very high91.3Very high42 Ų4265.2 Ų65.223%0.22537%0.372CS..PPolyproline II helixtrans-72.3151.2170.5-80.9-18.9000110.5I280 F282 T418I280-N370 PolarHBondContact O-ND2 2.87Å; F282-N370 WeakPolarHBondContact CE2-OD1 3.34Å; N370-T418 WeakPolarHBondContact CB-OG1 3.35Å; N370-T418 PolarHBondContact ND2-OXT 2.7Å
371P94.1Very high91.5Very high9 Ų970.7 Ų70.76%0.05840%0.397CS..PPolyproline II helixtrans-69.3138.1-178.830-36.6000112.2I280 Q313 M314 T418I280-P371 HydrophobicContact CD1-CG 4.22Å; I280-P371 HydrophobicContact CG2-CG 4.4Å; Q313-P371 WeakPolarHBondContact O-CB 3.41Å; M314-P371 HydrophobicContact SD-CB 4.33Å; M314-P371 HydrophobicContact SD-CG 3.88Å; P371-T418 PolarHBondContact O-OG1 2.82Å
372T96.5Very high91.8Very high47 Ų4766.1 Ų66.129%0.28838%0.377SS..PPolyproline II helixtrans-71.8144.3175.4580000111.7S312 Q415 R417S312-T372 PolarHBondContact OG-O 3.42Å; T372-Q415 HydrophobicContact CG2-CG 4.41Å; T372-R417 HydrophobicContact CG2-CG 4.44Å
373I98Very high92.3Very high0 Ų062.4 Ų62.40%035%0.345CS..EExtended strand (participates in β ladder)trans-99.4128.2174.8-61.1164.6000108.7V276 H278 I293 V310 L375 Q415 V416 T418V276-I373 HydrophobicContact CG1-CD1 3.87Å; H278-I373 HydrophobicContact CB-CD1 3.98Å; I293-I373 HydrophobicContact CD1-CD1 3.38Å; I293-I373 HydrophobicContact CD1-CG1 3.75Å; I293-I373 HydrophobicContact CG1-CD1 3.87Å; I293-I373 HydrophobicContact CG2-CD1 4.46Å; V310-I373 HydrophobicContact CG1-CG2 3.4Å; V310-I373 VanDerWaalsContact CG1-CG2 3.4Å; I373-L375 HydrophobicContact CG2-CD1 3.97Å; I373-Q415 CarbonylContact O-C 3.57Å; I373-Q415 WeakPolarHBondContact O-CA 3.36Å; I373-V416 HydrophobicContact CB-CB 4.27Å; I373-V416 PolarHBondContact N-O 3.1Å; I373-V416 PolarHBondContact O-N 3.28Å; I373-T418 HydrophobicContact CD1-CG2 3.37Å; I373-T418 HydrophobicContact CG1-CG2 3.65Å
374N98.3Very high93Very high53 Ų5359.2 Ų59.228%0.28331%0.309SS..EExtended strand (participates in β ladder)trans-108.3143.5171.9-53.7-66.2000110V310 T311 F414V310-N374 WeakPolarHBondContact CA-O 3.33Å; T311-N374 PolarHBondContact N-O 3.35Å; T311-N374 PolarHBondContact O-N 3.46Å; N374-F414 WeakPolarHBondContact CA-O 3.42Å
375L97.9Very high93.6Very high1 Ų158.5 Ų58.51%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-121.4140.2179.5-6993.4000111.4V274 V276 V295 T309 V310 I373 F377 A411 F414 V416V274-L375 HydrophobicContact CG1-CD2 3.97Å; V276-L375 HydrophobicContact CG2-CD1 3.74Å; V276-L375 HydrophobicContact CG2-CD2 3.79Å; V276-L375 HydrophobicContact CG2-CG 4.38Å; V295-L375 HydrophobicContact CG1-CD2 3.86Å; V295-L375 HydrophobicContact CG2-CD2 4.37Å; T309-L375 WeakPolarHBondContact O-CA 3.47Å; V310-L375 HydrophobicContact CG2-CG 4.49Å; I373-L375 HydrophobicContact CG2-CD1 3.97Å; L375-F377 HydrophobicContact CB-CD1 4.29Å; L375-A411 WeakPolarHBondContact O-CB 3.31Å; L375-F414 HydrophobicContact CB-CB 4.43Å; L375-F414 HydrophobicContact CB-CD1 3.95Å; L375-F414 HydrophobicContact CB-CG 4.47Å; L375-F414 HydrophobicContact CD1-CD1 3.71Å; L375-F414 HydrophobicContact CD1-CE1 4.04Å; L375-F414 HydrophobicContact CG-CD1 4.34Å; L375-F414 PolarHBondContact N-O 3.38Å; L375-V416 HydrophobicContact CD1-CG2 3.82Å
376Q98.4Very high94.2Very high101 Ų10155.4 Ų55.447%0.47229%0.287SS..EExtended strand (participates in β ladder)trans-117.2137.2162.5-68.9-61.9-40.900108.2V308 T309 G412V308-Q376 CarbonylContact C-O 3.4Å; V308-Q376 VanDerWaalsContact CA-O 3.26Å; V308-Q376 WeakPolarHBondContact CA-O 3.46Å; T309-Q376 PolarHBondContact N-O 3Å; T309-Q376 PolarHBondContact O-N 3.48Å; Q376-G412 PolarHBondContact NE2-O 3.44Å; Q376-G412 VanDerWaalsContact NE2-O 3.12Å
377F98.1Very high94.7Very high4 Ų450.1 Ų50.12%0.01826%0.264CS..EExtended strand (participates in β ladder)trans-162.2165.8177.461.6-99.7000111.5I187 P273 V274 I305 V308 L375 I379 K410 A411 F414I187-F377 HydrophobicContact CG2-CE2 4.19Å; I187-F377 HydrophobicContact CG2-CZ 3.72Å; P273-F377 HydrophobicContact CG-CE2 3.74Å; P273-F377 HydrophobicContact CG-CZ 3.56Å; V274-F377 HydrophobicContact CB-CE1 4.45Å; V274-F377 HydrophobicContact CG2-CD1 3.92Å; V274-F377 HydrophobicContact CG2-CD2 4.4Å; V274-F377 HydrophobicContact CG2-CE1 3.83Å; V274-F377 HydrophobicContact CG2-CE2 4.33Å; V274-F377 HydrophobicContact CG2-CG 4.23Å; V274-F377 HydrophobicContact CG2-CZ 4.06Å; I305-F377 HydrophobicContact CG2-CB 3.67Å; I305-F377 HydrophobicContact CG2-CD2 4.19Å; I305-F377 HydrophobicContact CG2-CG 4.09Å; V308-F377 HydrophobicContact CG2-CB 3.88Å; L375-F377 HydrophobicContact CB-CD1 4.29Å; F377-I379 HydrophobicContact CD2-CD1 4.37Å; F377-I379 HydrophobicContact CD2-CG1 4.19Å; F377-I379 HydrophobicContact CE2-CD1 4.22Å; F377-I379 HydrophobicContact CE2-CG1 4.46Å; F377-K410 CarbonylContact O-C 3.59Å; F377-K410 VanDerWaalsContact O-CA 3.28Å; F377-K410 WeakPolarHBondContact O-CA 3.31Å; F377-A411 HydrophobicContact CD1-CB 3.69Å; F377-A411 HydrophobicContact CD2-CB 4.42Å; F377-A411 HydrophobicContact CE1-CB 3.65Å; F377-A411 HydrophobicContact CE2-CB 4.38Å; F377-A411 HydrophobicContact CG-CB 4.07Å; F377-A411 HydrophobicContact CZ-CB 4Å; F377-A411 PolarHBondContact O-N 3.49Å; F377-F414 HydrophobicContact CE1-CB 4.45Å; F377-F414 HydrophobicContact CE1-CD1 4.47Å; F377-F414 AromaticContact CE1-CD2 3.8Å; F377-F414 HydrophobicContact CE1-CD2 3.8Å; F377-F414 HydrophobicContact CE1-CE2 4.13Å; F377-F414 AromaticContact CE1-CG 3.98Å; F377-F414 HydrophobicContact CE1-CG 3.98Å; F377-F414 HydrophobicContact CZ-CD2 4.02Å; F377-F414 HydrophobicContact CZ-CE2 4.22Å
378K98Very high95.1Very high105 Ų10555 Ų5546%0.45728%0.282SS..EExtended strand (participates in β ladder)trans-135.1148.9171.3-60.2-177.3-176.9177.20111E306 M408 T409 K410E306-K378 HydrophobicContact CG-CB 4.23Å; E306-K378 PolarHBondContact N-O 2.99Å; E306-K378 PolarHBondContact O-N 3.21Å; K378-M408 HydrophobicContact CD-SD 4.48Å; K378-T409 CarbonylContact C-O 3.53Å; K378-T409 WeakPolarHBondContact CA-O 3.47Å; K378-K410 HydrophobicContact CG-CB 4.06Å
379I97.8Very high95.6Very high0 Ų047.8 Ų47.80%024%0.244CC..EExtended strand (participates in β ladder)trans-135109.8175.9-51.5175.2000107.6P273 T300 K303 I305 F377 L382 M408 T409P273-I379 HydrophobicContact CB-CD1 3.54Å; P273-I379 HydrophobicContact CG-CD1 4.25Å; T300-I379 HydrophobicContact CG2-CD1 4.36Å; K303-I379 HydrophobicContact CB-CG2 3.52Å; K303-I379 HydrophobicContact CG-CG2 4.48Å; I305-I379 HydrophobicContact CB-CG1 4.43Å; I305-I379 HydrophobicContact CG1-CD1 4.05Å; I305-I379 HydrophobicContact CG1-CG1 4.08Å; I305-I379 HydrophobicContact CG2-CG1 4.3Å; F377-I379 HydrophobicContact CD2-CD1 4.37Å; F377-I379 HydrophobicContact CD2-CG1 4.19Å; F377-I379 HydrophobicContact CE2-CD1 4.22Å; F377-I379 HydrophobicContact CE2-CG1 4.46Å; I379-L382 HydrophobicContact CB-CB 4.47Å; I379-L382 HydrophobicContact CB-CD2 4.37Å; I379-L382 HydrophobicContact CD1-CD2 4.2Å; I379-L382 HydrophobicContact CG2-CB 3.79Å; I379-L382 HydrophobicContact CG2-CD2 3.72Å; I379-L382 HydrophobicContact CG2-CG 4.42Å; I379-M408 WeakPolarHBondContact O-CA 3.31Å; I379-T409 PolarHBondContact N-O 3.02Å; I379-T409 PolarHBondContact O-N 2.64Å
380Q97.1Very high96.1Very high86 Ų8644.6 Ų44.640%0.40223%0.233SC..EExtended strand (participates in β ladder)trans-77.1152.9177.4-59-68.3-0.100111.2E306 L382E306-Q380 WeakPolarHBondContact OE1-CG 3.17Å; E306-Q380 PolarHBondContact OE1-NE2 3.32Å; Q380-L382 PolarHBondContact O-N 3.41Å
381Q96.1Very high96.3Very high134 Ų13449.3 Ų49.363%0.62625%0.247SC*.THydrogen-bonded Turntrans59.530.7178.5-50.2176.2-4.900113.6K303 Y407K303-Q381 HydrophobicContact CD-CB 4.34Å; K303-Q381 WeakPolarHBondContact CE-O 3.42Å; Q381-Y407 VanDerWaalsContact CA-O 3.23Å; Q381-Y407 WeakPolarHBondContact CA-O 3.15Å; Q381-Y407 PolarHBondContact N-O 3.22Å
382L96.2Very high96.5Very high16 Ų1649.6 Ų49.68%0.08425%0.248CC..  trans-139.3127.8177.5-173.664.1000110.4M301 K303 I379 Q380 I384 Y407 M408 T409M301-L382 HydrophobicContact CB-CD1 4.31Å; M301-L382 HydrophobicContact CG-CD1 4.3Å; K303-L382 HydrophobicContact CG-CB 4.24Å; I379-L382 HydrophobicContact CB-CB 4.47Å; I379-L382 HydrophobicContact CB-CD2 4.37Å; I379-L382 HydrophobicContact CD1-CD2 4.2Å; I379-L382 HydrophobicContact CG2-CB 3.79Å; I379-L382 HydrophobicContact CG2-CD2 3.72Å; I379-L382 HydrophobicContact CG2-CG 4.42Å; Q380-L382 PolarHBondContact O-N 3.41Å; L382-I384 HydrophobicContact CD2-CD1 4.08Å; L382-Y407 PolarHBondContact N-O 3.39Å; L382-M408 CarbonylContact O-C 3.6Å; L382-M408 WeakPolarHBondContact O-CA 3.26Å; L382-M408 PolarHBondContact O-N 2.98Å; L382-T409 PolarHBondContact O-N 3.48Å; L382-T409 PolarHBondContact O-OG1 3.35Å
383A95.9Very high96.5Very high8 Ų848.9 Ų48.97%0.06624%0.242CC..  trans-100116.4152.600000106.2V183 E185 S385 G386 L387 Y407V183-A383 HydrophobicContact CG1-CB 4.36Å; E185-A383 HydrophobicContact CG-CB 4.46Å; E185-A383 VanDerWaalsContact OE2-CA 3.31Å; E185-A383 WeakPolarHBondContact OE2-CA 3.48Å; A383-S385 PolarHBondContact O-N 3.03Å; A383-G386 PolarHBondContact O-N 3.26Å; A383-L387 HydrophobicContact CB-CB 4.4Å; A383-Y407 HydrophobicContact CB-CD1 3.85Å
384I94.8Very high96.4Very high15 Ų1550.1 Ų50.18%0.07725%0.249CC..THydrogen-bonded Turntrans-68-23.1-175.7-167.163.9000112.2E185 I202 A271 P273 L382 G386 T409E185-I384 WeakPolarHBondContact OE2-CG2 3.41Å; E185-I384 PolarHBondContact OE2-N 2.9Å; I202-I384 HydrophobicContact CD1-CG2 3.72Å; I202-I384 HydrophobicContact CG1-CG2 4.03Å; I202-I384 HydrophobicContact CG2-CG2 4.46Å; A271-I384 HydrophobicContact CB-CD1 4.01Å; A271-I384 HydrophobicContact CB-CG1 4.32Å; A271-I384 VanDerWaalsContact O-CG1 3.26Å; A271-I384 WeakPolarHBondContact O-CG1 3.49Å; P273-I384 HydrophobicContact CB-CD1 4.16Å; L382-I384 HydrophobicContact CD2-CD1 4.08Å; I384-G386 PolarHBondContact O-N 3.29Å; I384-T409 HydrophobicContact CB-CG2 3.84Å; I384-T409 HydrophobicContact CG2-CG2 3.7Å; I384-T409 PolarHBondContact N-OG1 3.07Å
385S93.8Very high96.3Very high23 Ų2353 Ų5316%0.16126%0.256CS..THydrogen-bonded Turntrans-65.7-18.3168.871.50000113.4E185 A383 L387E185-S385 WeakPolarHBondContact OE1-CB 3.49Å; E185-S385 PolarHBondContact OE1-OG 3.08Å; E185-S385 PolarHBondContact OE2-N 3.34Å; A383-S385 PolarHBondContact O-N 3.03Å; S385-L387 VanDerWaalsContact C-N 3.3Å; S385-L387 VanDerWaalsContact OG-CB 3.24Å; S385-L387 WeakPolarHBondContact OG-CB 3.17Å; S385-L387 PolarHBondContact OG-N 2.84Å
386G92.9Very high96Very high43 Ų4356.4 Ų56.444%0.44329%0.291SS..  trans80.66.7-169.500000114.1A383 I384 K388A383-G386 PolarHBondContact O-N 3.26Å; I384-G386 PolarHBondContact O-N 3.29Å; G386-K388 PolarHBondContact O-N 3.19Å
387L94.3Very high95.8Very high1 Ų154.3 Ų54.31%0.00528%0.282CS..  trans-55.5129174.5-173.872.1000110.6V183 F222 L227 L228 Y262 A383 S385 Y407V183-L387 HydrophobicContact CG1-CD2 4.04Å; F222-L387 HydrophobicContact CB-CD1 4.15Å; F222-L387 HydrophobicContact CD1-CD1 3.66Å; F222-L387 HydrophobicContact CD1-CD2 4.22Å; F222-L387 HydrophobicContact CD1-CG 3.96Å; F222-L387 HydrophobicContact CE1-CD1 4.26Å; F222-L387 HydrophobicContact CE1-CD2 4.04Å; F222-L387 HydrophobicContact CE1-CG 4.28Å; F222-L387 HydrophobicContact CG-CD1 3.98Å; L227-L387 HydrophobicContact CB-CD1 4.48Å; L228-L387 HydrophobicContact CD2-CD1 3.73Å; L228-L387 HydrophobicContact CD2-CD2 3.68Å; L228-L387 HydrophobicContact CD2-CG 4.33Å; L228-L387 HydrophobicContact CG-CD1 4.13Å; Y262-L387 HydrophobicContact CE1-CD2 4.17Å; Y262-L387 HydrophobicContact CE2-CD2 4.19Å; Y262-L387 WeakPolarHBondContact OH-CD2 3.44Å; A383-L387 HydrophobicContact CB-CB 4.4Å; S385-L387 VanDerWaalsContact C-N 3.3Å; S385-L387 VanDerWaalsContact OG-CB 3.24Å; S385-L387 WeakPolarHBondContact OG-CB 3.17Å; S385-L387 PolarHBondContact OG-N 2.84Å; L387-Y407 WeakPolarHBondContact O-CE1 3.48Å
388K95.7Very high95.6Very high132 Ų13264.3 Ų64.357%0.57433%0.325SS*.  trans-135.6130.4176.8-70.4178.9-176.7177.60109.6F222 M223 G386 N390F222-K388 CarbonylContact C-O 3.58Å; F222-K388 WeakPolarHBondContact CA-O 3.24Å; M223-K388 HydrophobicContact CB-CB 4.27Å; M223-K388 HydrophobicContact CG-CB 3.95Å; M223-K388 PolarHBondContact N-O 3.19Å; G386-K388 PolarHBondContact O-N 3.19Å; K388-N390 PolarHBondContact O-N 2.88Å
389V96.6Very high95.4Very high20 Ų2061.9 Ų61.912%0.12131%0.314CS..EExtended strand (participates in β ladder)trans-67.2127.1167.3-1800000108.3L220 F222 I405 Y407L220-V389 HydrophobicContact CD1-CG1 4.35Å; L220-V389 HydrophobicContact CD2-CG1 4.17Å; L220-V389 HydrophobicContact CD2-CG2 4.25Å; L220-V389 HydrophobicContact CG-CG1 4.04Å; F222-V389 HydrophobicContact CD1-CG2 4.1Å; F222-V389 HydrophobicContact CE1-CG2 3.93Å; V389-I405 HydrophobicContact CB-CD1 3.56Å; V389-I405 HydrophobicContact CG1-CD1 3.45Å; V389-I405 VanDerWaalsContact CG1-CD1 3.45Å; V389-I405 HydrophobicContact CG2-CD1 3.92Å; V389-I405 HydrophobicContact CG2-CG2 4.21Å; V389-Y407 PolarHBondContact N-OH 3.34Å
390N96.8Very high95.3Very high97 Ų9771.8 Ų71.852%0.51936%0.357SS..EExtended strand (participates in β ladder)trans-84.1-55.3176.3176.926.9000110.1S221 M223 K388S221-N390 PolarHBondContact O-N 3.27Å; M223-N390 HydrophobicContact CG-CB 4.02Å; M223-N390 HydrophobicContact SD-CB 3.71Å; M223-N390 PolarHBondContact SD-OD1 3.1Å; K388-N390 PolarHBondContact O-N 2.88Å
391R96Very high95.2Very high140 Ų14068.7 Ų68.753%0.52834%0.344SS..EExtended strand (participates in β ladder)trans-150.2144.3-174.2-159170.675.2-172.36.3111.9L220 S221 D393L220-R391 WeakPolarHBondContact CA-O 3.4Å; S221-R391 PolarHBondContact N-O 2.92Å; S221-R391 PolarHBondContact O-N 3.43Å; S221-R391 PolarHBondContact OG-N 3.35Å; S221-R391 PolarHBondContact OG-O 2.75Å; R391-D393 IonicContact CZ-OD2 3.43Å; R391-D393 IonicContact NE-OD1 3.89Å; R391-D393 PolarHBondContact NE-OD1 2.89Å; R391-D393 IonicContact NE-OD2 2.66Å; R391-D393 PolarHBondContact NE-OD2 3.43Å; R391-D393 IonicContact NH2-OD2 3.44Å; R391-D393 PolarHBondContact NH2-OD2 2.88Å
392L97Very high95.3Very high15 Ų1568.2 Ų68.28%0.07934%0.34CS..EExtended strand (participates in β ladder)trans-124.9114.6168.9174.666.8000108.9F181 L218 T219 L220 K403F181-L392 HydrophobicContact CD2-CD2 3.94Å; F181-L392 HydrophobicContact CE2-CD1 4.21Å; F181-L392 HydrophobicContact CE2-CD2 3.35Å; F181-L392 HydrophobicContact CE2-CG 4.43Å; F181-L392 HydrophobicContact CZ-CD1 4.28Å; F181-L392 HydrophobicContact CZ-CD2 4.19Å; L218-L392 HydrophobicContact CB-CD1 4.36Å; T219-L392 CarbonylContact O-C 3.5Å; T219-L392 VanDerWaalsContact O-CA 3.31Å; T219-L392 WeakPolarHBondContact O-CA 3.44Å; L220-L392 HydrophobicContact CB-CD1 4.05Å; L220-L392 HydrophobicContact CD1-CD1 4.32Å; L220-L392 HydrophobicContact CG-CD1 4.48Å; L392-K403 HydrophobicContact CB-CD 4.36Å; L392-K403 HydrophobicContact CD2-CB 4.15Å; L392-K403 HydrophobicContact CD2-CD 3.91Å; L392-K403 HydrophobicContact CD2-CG 3.89Å; L392-K403 HydrophobicContact CG-CD 4.12Å; L392-K403 PolarHBondContact O-NZ 3.14Å
393D96.6Very high95.3Very high32 Ų3271.6 Ų71.617%0.17135%0.354CS..EExtended strand (participates in β ladder)trans-108.9153.6176.8-57.6-44.2000110.9L218 T219 R391 Y395L218-D393 WeakPolarHBondContact CA-O 3.33Å; T219-D393 PolarHBondContact N-O 3.43Å; T219-D393 PolarHBondContact O-N 3.14Å; R391-D393 IonicContact CZ-OD2 3.43Å; R391-D393 IonicContact NE-OD1 3.89Å; R391-D393 PolarHBondContact NE-OD1 2.89Å; R391-D393 IonicContact NE-OD2 2.66Å; R391-D393 PolarHBondContact NE-OD2 3.43Å; R391-D393 IonicContact NH2-OD2 3.44Å; R391-D393 PolarHBondContact NH2-OD2 2.88Å; D393-Y395 HydrophobicContact CB-CE2 3.66Å
394M96.4Very high95.3Very high27 Ų2771.7 Ų71.713%0.13336%0.356CS..EExtended strand (participates in β ladder)trans-128.1134.5174.5-177.7-174.677.200108.8L212 P216 D217 L218 E397 Y399 P401L212-M394 HydrophobicContact CD1-SD 4.19Å; P216-M394 HydrophobicContact CB-CG 3.86Å; P216-M394 HydrophobicContact CB-SD 3.87Å; D217-M394 CarbonylContact O-C 3.1Å; D217-M394 WeakPolarHBondContact O-CA 3.4Å; L218-M394 HydrophobicContact CD2-CB 3.63Å; L218-M394 HydrophobicContact CD2-CG 3.66Å; M394-E397 HydrophobicContact CE-CB 3.74Å; M394-E397 HydrophobicContact SD-CB 4.27Å; M394-Y399 HydrophobicContact CE-CD2 3.99Å; M394-Y399 HydrophobicContact CE-CE2 3.68Å; M394-Y399 WeakPolarHBondContact CE-O 3.26Å; M394-Y399 HydrophobicContact SD-CE2 3.85Å; M394-P401 HydrophobicContact CE-CG 4.03Å; M394-P401 HydrophobicContact SD-CG 3.77Å
395Y95.4Very high95.5Very high113 Ų11373.9 Ų73.944%0.44337%0.367SS..EExtended strand (participates in β ladder)trans-125.1167.8176.9-52.7-88.6000110D217 D393 E397D217-Y395 PolarHBondContact N-O 3.32Å; D217-Y395 PolarHBondContact O-N 3.17Å; D393-Y395 HydrophobicContact CB-CE2 3.66Å; Y395-E397 PolarHBondContact O-N 2.85Å
396G92.1Very high95.6Very high72 Ų7279.1 Ų79.174%0.74239%0.387SS*.SBendtrans83.5-25.3179.100000114.7
397E94.5Very high95.9Very high58 Ų5879.3 Ų79.327%0.27138%0.375SS..  trans-118.9145.3-177.9-62.2-60.9156.600112.3G214 M215 P216 M394 Y395 Y399G214-E397 WeakPolarHBondContact CA-OE1 3.42Å; M215-E397 PolarHBondContact N-OE1 3.21Å; P216-E397 HydrophobicContact CB-CG 4.2Å; M394-E397 HydrophobicContact CE-CB 3.74Å; M394-E397 HydrophobicContact SD-CB 4.27Å; Y395-E397 PolarHBondContact O-N 2.85Å; E397-Y399 HydrophobicContact CB-CD1 4.04Å; E397-Y399 HydrophobicContact CB-CE1 3.54Å; E397-Y399 HydrophobicContact CG-CE1 3.88Å
398K92.9Very high96.1Very high214 Ų21481 Ų8193%0.9338%0.384SS*.  trans-88.9-16-172.9-65.9-176.2-178.4178.40114.9
399Y94.8Very high96.2Very high54 Ų5474.8 Ų74.821%0.21236%0.356CS..SBendtrans-82.3162.8-178.262.5-98.2000111.5N177 L212 T213 M394 E397 P401N177-Y399 HydrophobicContact CB-CD2 3.62Å; N177-Y399 HydrophobicContact CB-CE2 3.35Å; N177-Y399 VanDerWaalsContact CG-CE2 3.5Å; L212-Y399 WeakPolarHBondContact CB-OH 3.22Å; L212-Y399 HydrophobicContact CD2-CE2 4.06Å; T213-Y399 HydrophobicContact CG2-CE1 4.46Å; T213-Y399 PolarHBondContact N-OH 3.29Å; T213-Y399 PolarHBondContact O-OH 2.79Å; M394-Y399 HydrophobicContact CE-CD2 3.99Å; M394-Y399 HydrophobicContact CE-CE2 3.68Å; M394-Y399 WeakPolarHBondContact CE-O 3.26Å; M394-Y399 HydrophobicContact SD-CE2 3.85Å; E397-Y399 HydrophobicContact CB-CD1 4.04Å; E397-Y399 HydrophobicContact CB-CE1 3.54Å; E397-Y399 HydrophobicContact CG-CE1 3.88Å; Y399-P401 HydrophobicContact CD2-CB 4.43Å; Y399-P401 HydrophobicContact CE2-CB 4.08Å; Y399-P401 HydrophobicContact CE2-CG 4.41Å; Y399-P401 WeakPolarHBondContact O-CD 3.43Å
400K94.8Very high96.3Very high207 Ų20777 Ų7790%0.936%0.364SS*.  trans-102.4109174.5-67.1-176.2-178.61800109.7
401P95.9Very high96.3Very high22 Ų2272.6 Ų72.614%0.14334%0.341CS..  trans-77.4154.7178.731-34.8000111.5N177 L212 M394 Y399 K403N177-P401 HydrophobicContact CB-CB 4.26Å; N177-P401 CarbonylContact O-C 3.47Å; N177-P401 VanDerWaalsContact O-CA 3.24Å; N177-P401 WeakPolarHBondContact O-CA 3.25Å; N177-P401 WeakPolarHBondContact O-CB 3.4Å; L212-P401 HydrophobicContact CD2-CB 3.48Å; L212-P401 VanDerWaalsContact CD2-CB 3.48Å; L212-P401 HydrophobicContact CD2-CG 4.21Å; M394-P401 HydrophobicContact CE-CG 4.03Å; M394-P401 HydrophobicContact SD-CG 3.77Å; Y399-P401 HydrophobicContact CD2-CB 4.43Å; Y399-P401 HydrophobicContact CE2-CB 4.08Å; Y399-P401 HydrophobicContact CE2-CG 4.41Å; Y399-P401 WeakPolarHBondContact O-CD 3.43Å; P401-K403 HydrophobicContact CG-CG 4.42Å
402F97.4Very high96.3Very high123 Ų12366.2 Ų66.254%0.53932%0.32SS..EExtended strand (participates in β ladder)trans-68.6136.7160.3-176.2-90.3000109.6N177 E178 A179 Y180N177-F402 PolarHBondContact O-N 2.88Å; E178-F402 CarbonylContact C-O 3.49Å; E178-F402 WeakPolarHBondContact CA-O 3.41Å; E178-F402 HydrophobicContact CB-CB 4.22Å; A179-F402 PolarHBondContact N-O 3.1Å; Y180-F402 HydrophobicContact CD1-CE1 4.32Å; Y180-F402 AromaticContact CE1-CD1 3.85Å; Y180-F402 HydrophobicContact CE1-CD1 3.85Å; Y180-F402 AromaticContact CE1-CE1 3.43Å; Y180-F402 HydrophobicContact CE1-CE1 3.43Å; Y180-F402 VanDerWaalsContact CE1-CE1 3.43Å; Y180-F402 AromaticContact CZ-CD1 3.76Å; Y180-F402 AromaticContact CZ-CE1 3.79Å
403K96.4Very high96.2Very high87 Ų8773.8 Ų73.838%0.37835%0.352SS..EExtended strand (participates in β ladder)trans-125.8117.6-179.4-63.4172.1-175.3175.80108.6A179 L392 P401A179-K403 CarbonylContact O-C 3.54Å; A179-K403 WeakPolarHBondContact O-CA 3.39Å; L392-K403 HydrophobicContact CB-CD 4.36Å; L392-K403 HydrophobicContact CD2-CB 4.15Å; L392-K403 HydrophobicContact CD2-CD 3.91Å; L392-K403 HydrophobicContact CD2-CG 3.89Å; L392-K403 HydrophobicContact CG-CD 4.12Å; L392-K403 PolarHBondContact O-NZ 3.14Å; P401-K403 HydrophobicContact CG-CG 4.42Å
404G96.8Very high96.3Very high11 Ų1172.4 Ų72.411%0.11334%0.344CS..EExtended strand (participates in β ladder)trans-116.8140.5178.600000111.3A179 Y180 F181A179-G404 PolarHBondContact O-N 3.27Å; Y180-G404 CarbonylContact C-O 3.56Å; Y180-G404 VanDerWaalsContact CA-O 3.29Å; Y180-G404 WeakPolarHBondContact CA-O 3.17Å; F181-G404 PolarHBondContact N-O 3.15Å
405I97.6Very high96.3Very high60 Ų6073.4 Ų73.431%0.30835%0.349SS..EExtended strand (participates in β ladder)trans-133.6130.9172.5-54177.3000108.3F181 V183 V389 Y407F181-I405 HydrophobicContact CB-CG1 4.49Å; F181-I405 CarbonylContact O-C 3.52Å; F181-I405 VanDerWaalsContact O-CA 3.24Å; F181-I405 WeakPolarHBondContact O-CA 3.38Å; V183-I405 HydrophobicContact CG2-CG2 4.45Å; V389-I405 HydrophobicContact CB-CD1 3.56Å; V389-I405 HydrophobicContact CG1-CD1 3.45Å; V389-I405 VanDerWaalsContact CG1-CD1 3.45Å; V389-I405 HydrophobicContact CG2-CD1 3.92Å; V389-I405 HydrophobicContact CG2-CG2 4.21Å; I405-Y407 HydrophobicContact CG2-CD2 4.38Å; I405-Y407 HydrophobicContact CG2-CE1 4.45Å; I405-Y407 HydrophobicContact CG2-CE2 3.66Å
406K97.6Very high96.4Very high134 Ų13468.2 Ų68.258%0.58333%0.328SS*.EExtended strand (participates in β ladder)trans-121.9155171.8-60.7176.7-179.1167.50109.9F181 D182 V183F181-K406 PolarHBondContact O-N 3.4Å; D182-K406 WeakPolarHBondContact OD1-CB 3.41Å; V183-K406 PolarHBondContact N-O 2.85Å
407Y98.3Very high96.6Very high46 Ų4670.2 Ų70.218%0.1831%0.314CS..EExtended strand (participates in β ladder)trans-126.7137.4177.2-59.4-93.2000108V183 Q381 L382 A383 L387 V389 I405V183-Y407 HydrophobicContact CB-CD1 3.64Å; V183-Y407 HydrophobicContact CB-CE1 4Å; V183-Y407 HydrophobicContact CB-CG 4.43Å; V183-Y407 HydrophobicContact CG1-CD1 3.99Å; V183-Y407 HydrophobicContact CG1-CE1 4.33Å; V183-Y407 HydrophobicContact CG2-CD1 3.95Å; V183-Y407 HydrophobicContact CG2-CE1 3.79Å; V183-Y407 CarbonylContact O-C 3.57Å; V183-Y407 VanDerWaalsContact O-CA 3.3Å; V183-Y407 WeakPolarHBondContact O-CA 3.24Å; Q381-Y407 VanDerWaalsContact CA-O 3.23Å; Q381-Y407 WeakPolarHBondContact CA-O 3.15Å; Q381-Y407 PolarHBondContact N-O 3.22Å; L382-Y407 PolarHBondContact N-O 3.39Å; A383-Y407 HydrophobicContact CB-CD1 3.85Å; L387-Y407 WeakPolarHBondContact O-CE1 3.48Å; V389-Y407 PolarHBondContact N-OH 3.34Å; I405-Y407 HydrophobicContact CG2-CD2 4.38Å; I405-Y407 HydrophobicContact CG2-CE1 4.45Å; I405-Y407 HydrophobicContact CG2-CE2 3.66Å
408M98.2Very high96.4Very high38 Ų3869 Ų6919%0.18731%0.31CS..EExtended strand (participates in β ladder)trans-144.3132.3174.6-179176.363.100109.3V183 I184 E185 K378 I379 L382V183-M408 PolarHBondContact O-N 3.26Å; I184-M408 CarbonylContact C-O 3.47Å; I184-M408 WeakPolarHBondContact CA-O 3.39Å; I184-M408 HydrophobicContact CB-CE 4.44Å; I184-M408 HydrophobicContact CD1-CE 4.19Å; I184-M408 HydrophobicContact CG1-CE 4.04Å; I184-M408 HydrophobicContact CG2-CE 3.63Å; E185-M408 PolarHBondContact N-O 2.67Å; K378-M408 HydrophobicContact CD-SD 4.48Å; I379-M408 WeakPolarHBondContact O-CA 3.31Å; L382-M408 CarbonylContact O-C 3.6Å; L382-M408 WeakPolarHBondContact O-CA 3.26Å; L382-M408 PolarHBondContact O-N 2.98Å
409T98Very high96.5Very high0 Ų061.7 Ų61.70%028%0.279CS..EExtended strand (participates in β ladder)trans-106.9136.4166.7-57.70000108.3E185 I187 K378 I379 L382 I384E185-T409 CarbonylContact O-C 3.59Å; E185-T409 VanDerWaalsContact O-CA 3.26Å; E185-T409 WeakPolarHBondContact O-CA 3.24Å; I187-T409 HydrophobicContact CG2-CG2 4.3Å; K378-T409 CarbonylContact C-O 3.53Å; K378-T409 WeakPolarHBondContact CA-O 3.47Å; I379-T409 PolarHBondContact N-O 3.02Å; I379-T409 PolarHBondContact O-N 2.64Å; L382-T409 PolarHBondContact O-N 3.48Å; L382-T409 PolarHBondContact O-OG1 3.35Å; I384-T409 HydrophobicContact CB-CG2 3.84Å; I384-T409 HydrophobicContact CG2-CG2 3.7Å; I384-T409 PolarHBondContact N-OG1 3.07Å
410K98Very high96.6Very high67 Ų6762.1 Ų62.129%0.29128%0.282SS..EExtended strand (participates in β ladder)trans-131.4156.8172.458.7172.3-177.9144.80110.5E185 E186 I187 F377 K378E185-K410 PolarHBondContact O-N 3.14Å; E186-K410 WeakPolarHBondContact CA-O 3.41Å; E186-K410 HydrophobicContact CB-CG 4.34Å; E186-K410 HydrophobicContact CG-CG 4.42Å; E186-K410 WeakPolarHBondContact OE2-CE 3.44Å; E186-K410 IonicContact OE2-NZ 3.97Å; E186-K410 PolarHBondContact OE2-NZ 2.96Å; I187-K410 PolarHBondContact N-O 3.18Å; F377-K410 CarbonylContact O-C 3.59Å; F377-K410 VanDerWaalsContact O-CA 3.28Å; F377-K410 WeakPolarHBondContact O-CA 3.31Å; K378-K410 HydrophobicContact CG-CB 4.06Å
411A97.8Very high96.7Very high4 Ų454.1 Ų54.13%0.03325%0.248CC..EExtended strand (participates in β ladder)trans-67.9136.9170.500000110.4L375 F377 F414L375-A411 WeakPolarHBondContact O-CB 3.31Å; F377-A411 HydrophobicContact CD1-CB 3.69Å; F377-A411 HydrophobicContact CD2-CB 4.42Å; F377-A411 HydrophobicContact CE1-CB 3.65Å; F377-A411 HydrophobicContact CE2-CB 4.38Å; F377-A411 HydrophobicContact CG-CB 4.07Å; F377-A411 HydrophobicContact CZ-CB 4Å; F377-A411 PolarHBondContact O-N 3.49Å; A411-F414 HydrophobicContact CB-CB 4.19Å
412G96Very high96.8Very high7 Ų755.9 Ų55.97%0.07225%0.254CS..EExtended strand (participates in β ladder)trans-95.7-121159.400000109.7E186 I187 D188 Q376 F414E186-G412 WeakPolarHBondContact OE1-CA 3.29Å; I187-G412 PolarHBondContact O-N 2.87Å; D188-G412 WeakPolarHBondContact OD1-CA 3.42Å; Q376-G412 PolarHBondContact NE2-O 3.44Å; Q376-G412 VanDerWaalsContact NE2-O 3.12Å; G412-F414 VanDerWaalsContact C-N 3.31Å; G412-F414 PolarHBondContact O-N 3.16Å; G412-F414 VanDerWaalsContact O-N 3.08Å
413K94.8Very high96.7Very high173 Ų17351.8 Ų51.875%0.75224%0.237SC*.EExtended strand (participates in β ladder)trans-78.278.3167.1-63.7-179.5-177.4175.50109.9D188 A189D188-K413 PolarHBondContact OD1-N 3.44Å; A189-K413 PolarHBondContact N-O 3.05Å
414F97.6Very high96.7Very high3 Ų349.4 Ų49.41%0.01323%0.227CC..EExtended strand (participates in β ladder)trans-97.8106.1175.5-160.6-74.1000110.8I187 A189 I191 I272 N374 L375 F377 A411 G412 V416I187-F414 HydrophobicContact CD1-CE2 4.48Å; I187-F414 HydrophobicContact CG2-CD2 4.25Å; A189-F414 HydrophobicContact CB-CD2 3.8Å; A189-F414 HydrophobicContact CB-CE2 3.79Å; A189-F414 HydrophobicContact CB-CG 4.48Å; A189-F414 HydrophobicContact CB-CZ 4.46Å; I191-F414 HydrophobicContact CG1-CE1 4.28Å; I191-F414 HydrophobicContact CG1-CZ 4.25Å; I272-F414 HydrophobicContact CG2-CE2 4.18Å; I272-F414 HydrophobicContact CG2-CZ 3.82Å; N374-F414 WeakPolarHBondContact CA-O 3.42Å; L375-F414 HydrophobicContact CB-CB 4.43Å; L375-F414 HydrophobicContact CB-CD1 3.95Å; L375-F414 HydrophobicContact CB-CG 4.47Å; L375-F414 HydrophobicContact CD1-CD1 3.71Å; L375-F414 HydrophobicContact CD1-CE1 4.04Å; L375-F414 HydrophobicContact CG-CD1 4.34Å; L375-F414 PolarHBondContact N-O 3.38Å; F377-F414 HydrophobicContact CE1-CB 4.45Å; F377-F414 HydrophobicContact CE1-CD1 4.47Å; F377-F414 AromaticContact CE1-CD2 3.8Å; F377-F414 HydrophobicContact CE1-CD2 3.8Å; F377-F414 HydrophobicContact CE1-CE2 4.13Å; F377-F414 AromaticContact CE1-CG 3.98Å; F377-F414 HydrophobicContact CE1-CG 3.98Å; F377-F414 HydrophobicContact CZ-CD2 4.02Å; F377-F414 HydrophobicContact CZ-CE2 4.22Å; A411-F414 HydrophobicContact CB-CB 4.19Å; G412-F414 VanDerWaalsContact C-N 3.31Å; G412-F414 PolarHBondContact O-N 3.16Å; G412-F414 VanDerWaalsContact O-N 3.08Å; F414-V416 HydrophobicContact CE1-CG2 4.18Å
415Q97.6Very high96.7Very high49 Ų4952.1 Ų52.123%0.22924%0.235CC..EExtended strand (participates in β ladder)trans-120.7140.6-175.6-176178.878.600111.9A189 I190 I191 T372 I373A189-Q415 PolarHBondContact O-N 3.18Å; I190-Q415 WeakPolarHBondContact CA-O 3.36Å; I191-Q415 PolarHBondContact N-O 3.04Å; T372-Q415 HydrophobicContact CG2-CG 4.41Å; I373-Q415 CarbonylContact O-C 3.57Å; I373-Q415 WeakPolarHBondContact O-CA 3.36Å
416V97.6Very high96.7Very high3 Ų351.5 Ų51.52%0.01823%0.23CC..EExtended strand (participates in β ladder)trans-120.3119.6170.2-173.10000108.6I191 V276 I373 L375 F414I191-V416 HydrophobicContact CB-CB 4.45Å; I191-V416 HydrophobicContact CB-CG1 4.28Å; I191-V416 HydrophobicContact CB-CG2 4.12Å; I191-V416 HydrophobicContact CG1-CG2 4.33Å; I191-V416 HydrophobicContact CG2-CG1 4.45Å; I191-V416 WeakPolarHBondContact O-CA 3.38Å; V276-V416 HydrophobicContact CB-CG1 4.31Å; V276-V416 HydrophobicContact CB-CG2 4.03Å; V276-V416 HydrophobicContact CG2-CG2 3.84Å; I373-V416 HydrophobicContact CB-CB 4.27Å; I373-V416 PolarHBondContact N-O 3.1Å; I373-V416 PolarHBondContact O-N 3.28Å; L375-V416 HydrophobicContact CD1-CG2 3.82Å; F414-V416 HydrophobicContact CE1-CG2 4.18Å
417R95.3Very high96.6Very high114 Ų11444.7 Ų44.743%0.4320%0.2SC..  trans-80.9137.5173.8-61.2-179178.7174.5-0.5108.9I190 I191 D192 K193 T372I190-R417 HydrophobicContact CG2-CG 4.26Å; I191-R417 PolarHBondContact O-N 3.5Å; D192-R417 CarbonylContact C-O 3.51Å; K193-R417 WeakPolarHBondContact CA-O 3.48Å; K193-R417 PolarHBondContact N-O 2.95Å; K193-R417 VanDerWaalsContact N-O 3.14Å; T372-R417 HydrophobicContact CG2-CG 4.44Å
418T90.1Very high96.4Very high32 Ų3244.5 Ų44.520%0.19620%0.202CC..  trans-118.90-167.463.20000115.4H278 I280 N370 P371 I373H278-T418 HydrophobicContact CB-CG2 4.31Å; H278-T418 WeakPolarHBondContact CE1-CA 3.33Å; H278-T418 PolarHBondContact CE1-OXT 3.46Å; H278-T418 WeakPolarHBondContact ND1-CB 3.28Å; H278-T418 PolarHBondContact ND1-OXT 2.77Å; I280-T418 HydrophobicContact CD1-CG2 4.1Å; N370-T418 WeakPolarHBondContact CB-OG1 3.35Å; N370-T418 PolarHBondContact ND2-OXT 2.7Å; P371-T418 PolarHBondContact O-OG1 2.82Å; I373-T418 HydrophobicContact CD1-CG2 3.37Å; I373-T418 HydrophobicContact CG1-CG2 3.65Å

Retrieved 418 of 418 residues in 132.2 ms (Link to these results)

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