A0A077ZL15_TRITR Loading...

Zinc phosphodiesterase ELAC protein 1

AlphaFold DB , UniProt , Accession A0A077ZL15, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 307 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
1M97.4Very high98.1Very high14 Ų1413 Ų137%0.0699%0.09CC..  0122.80-177.4-176.5-59.900107.4L24 K25 L26 E29 F131 E151 R204 V206 I304M1-L24 HydrophobicContact CG-CD1 3.71Å; M1-L24 HydrophobicContact SD-CD1 4.09Å; M1-K25 WeakPolarHBondContact CA-O 3.38Å; M1-L26 HydrophobicContact CB-CD2 4.35Å; M1-L26 HydrophobicContact CE-CD2 3.82Å; M1-L26 HydrophobicContact CG-CD2 3.79Å; M1-L26 HydrophobicContact SD-CD2 4.37Å; M1-E29 WeakPolarHBondContact CA-OE1 3.31Å; M1-E29 WeakPolarHBondContact CB-OE1 3.41Å; M1-E29 PolarHBondContact N-OE1 2.88Å; M1-F131 HydrophobicContact CE-CE1 3.61Å; M1-F131 HydrophobicContact CE-CZ 3.88Å; M1-E151 HydrophobicContact CE-CB 4.28Å; M1-R204 HydrophobicContact CE-CB 4.04Å; M1-R204 HydrophobicContact SD-CB 4.1Å; M1-V206 HydrophobicContact SD-CG2 3.74Å; M1-I304 HydrophobicContact CB-CB 4.44Å; M1-I304 HydrophobicContact CG-CB 4.34Å; M1-I304 HydrophobicContact CG-CD1 4.35Å; M1-I304 PolarHBondContact O-N 3.07Å; M1-I304 HydrophobicContact SD-CB 4.35Å; M1-I304 HydrophobicContact SD-CD1 4.17Å; M1-I304 HydrophobicContact SD-CG2 4.46Å
2E98.4Very high98Very high57 Ų5719.3 Ų19.327%0.26613%0.127SC..EExtended strand (participates in β ladder)trans-137146.9-177.9-47.5171.616600109.2K25 I301 I302 D303E2-K25 HydrophobicContact CB-CB 4.24Å; E2-K25 HydrophobicContact CB-CD 4.47Å; E2-K25 PolarHBondContact N-O 2.95Å; E2-K25 VanDerWaalsContact N-O 3.12Å; E2-K25 PolarHBondContact O-N 3.3Å; E2-K25 WeakPolarHBondContact OE2-CE 3.43Å; E2-K25 IonicContact OE2-NZ 2.71Å; E2-K25 PolarHBondContact OE2-NZ 3.26Å; E2-I301 HydrophobicContact CB-CG2 4.22Å; E2-I302 CarbonylContact C-O 3.49Å; E2-I302 WeakPolarHBondContact CA-O 3.41Å; E2-D303 WeakPolarHBondContact CG-OD1 3.39Å
3L98.8Very high97.9Very high0 Ų024.2 Ų24.20%016%0.159CC..EExtended strand (participates in β ladder)trans-98.2135163.6-69.1169.5000109.1F5 L22 A23 L24 V206 V227 V229 I301 I302 I304L3-F5 HydrophobicContact CB-CE2 4.33Å; L3-L22 HydrophobicContact CB-CD1 4.19Å; L3-L22 HydrophobicContact CD2-CD1 4.06Å; L3-L22 HydrophobicContact CD2-CD2 4.1Å; L3-L22 HydrophobicContact CD2-CG 4.19Å; L3-A23 CarbonylContact C-O 3.58Å; L3-A23 WeakPolarHBondContact CA-O 3.45Å; L3-L24 HydrophobicContact CD2-CB 4.23Å; L3-L24 HydrophobicContact CD2-CD1 3.67Å; L3-L24 HydrophobicContact CG-CD1 4.33Å; L3-V206 HydrophobicContact CD1-CG1 4.08Å; L3-V206 HydrophobicContact CD2-CG1 4.3Å; L3-V227 HydrophobicContact CD1-CB 4.4Å; L3-V227 HydrophobicContact CD1-CG1 3.82Å; L3-V229 HydrophobicContact CD1-CG2 3.72Å; L3-I301 CarbonylContact O-C 3.59Å; L3-I301 VanDerWaalsContact O-CA 3.26Å; L3-I301 WeakPolarHBondContact O-CA 3.34Å; L3-I302 HydrophobicContact CB-CB 4.29Å; L3-I302 PolarHBondContact N-O 3.4Å; L3-I302 PolarHBondContact O-N 3.45Å; L3-I304 HydrophobicContact CD1-CD1 3.97Å; L3-I304 HydrophobicContact CG-CD1 3.95Å
4E98.8Very high97.6Very high10 Ų1025.4 Ų25.45%0.04717%0.172CC..EExtended strand (participates in β ladder)trans-126.9113.4172.8-176.4164178.700109.2L6 A23 K25 T49 D300 I301E4-L6 PolarHBondContact O-N 3.47Å; E4-A23 HydrophobicContact CB-CB 4.38Å; E4-A23 PolarHBondContact N-O 3.18Å; E4-A23 PolarHBondContact O-N 2.95Å; E4-K25 HydrophobicContact CB-CD 3.91Å; E4-K25 WeakPolarHBondContact OE2-CD 3.23Å; E4-K25 WeakPolarHBondContact OE2-CE 3.34Å; E4-K25 IonicContact OE2-NZ 2.97Å; E4-K25 PolarHBondContact OE2-NZ 2.92Å; E4-T49 WeakPolarHBondContact OE1-CB 3.49Å; E4-T49 WeakPolarHBondContact OE1-CG2 3.39Å; E4-D300 WeakPolarHBondContact CA-O 3.23Å; E4-I301 HydrophobicContact CB-CG1 4.25Å; E4-I301 HydrophobicContact CG-CG1 3.89Å
5F98.8Very high96.9Very high1 Ų137.3 Ų37.30%0.00422%0.22CC..EExtended strand (participates in β ladder)trans-78.9114.6-176.2-72.7-94.7000110L3 T8 L22 V229 M266 A296 K297 F299 D300 I302L3-F5 HydrophobicContact CB-CE2 4.33Å; F5-T8 HydrophobicContact CB-CG2 3.82Å; F5-T8 HydrophobicContact CD1-CG2 3.86Å; F5-T8 HydrophobicContact CG-CG2 4.17Å; F5-L22 HydrophobicContact CD1-CD1 3.8Å; F5-L22 HydrophobicContact CD2-CD1 4.13Å; F5-L22 HydrophobicContact CE1-CD1 3.87Å; F5-L22 HydrophobicContact CE2-CD1 4.17Å; F5-L22 HydrophobicContact CG-CD1 3.93Å; F5-L22 HydrophobicContact CZ-CD1 4.05Å; F5-V229 HydrophobicContact CE1-CG1 3.82Å; F5-V229 HydrophobicContact CZ-CG1 4.08Å; F5-V229 HydrophobicContact CZ-CG2 4.1Å; F5-M266 HydrophobicContact CE2-CB 4.44Å; F5-M266 HydrophobicContact CE2-CE 3.95Å; F5-M266 HydrophobicContact CE2-CG 4.33Å; F5-M266 HydrophobicContact CZ-CB 3.73Å; F5-M266 HydrophobicContact CZ-CE 4.21Å; F5-M266 HydrophobicContact CZ-CG 4.06Å; F5-A296 HydrophobicContact CD1-CB 3.47Å; F5-A296 VanDerWaalsContact CD1-CB 3.47Å; F5-A296 HydrophobicContact CD2-CB 3.96Å; F5-A296 HydrophobicContact CE1-CB 3.46Å; F5-A296 VanDerWaalsContact CE1-CB 3.46Å; F5-A296 HydrophobicContact CE2-CB 3.98Å; F5-A296 HydrophobicContact CG-CB 3.73Å; F5-A296 HydrophobicContact CZ-CB 3.74Å; F5-K297 WeakPolarHBondContact CB-O 3.16Å; F5-F299 WeakPolarHBondContact O-CA 3.39Å; F5-F299 PolarHBondContact O-N 3.16Å; F5-D300 HydrophobicContact CD2-CB 4.22Å; F5-D300 PolarHBondContact N-O 3.26Å; F5-I302 HydrophobicContact CE2-CG1 3.97Å
6L98.8Very high96.5Very high0 Ų044.8 Ų44.80%025%0.251CS..EExtended strand (participates in β ladder)trans-89.9-25.6179-61.2171.7000111.9E4 G21 A23 L35 T42 Q45 I46 T49 I51E4-L6 PolarHBondContact O-N 3.47Å; L6-G21 CarbonylContact C-O 3.53Å; L6-G21 WeakPolarHBondContact CA-O 3.48Å; L6-G21 WeakPolarHBondContact CB-O 3.43Å; L6-G21 PolarHBondContact N-O 3.41Å; L6-A23 HydrophobicContact CD1-CB 4.22Å; L6-L35 HydrophobicContact CD1-CD2 3.82Å; L6-T42 HydrophobicContact CD1-CG2 3.93Å; L6-Q45 HydrophobicContact CB-CB 4.13Å; L6-Q45 HydrophobicContact CD2-CB 4.39Å; L6-Q45 WeakPolarHBondContact O-CB 2.99Å; L6-Q45 WeakPolarHBondContact O-CG 3.32Å; L6-Q45 PolarHBondContact O-NE2 2.88Å; L6-I46 HydrophobicContact CD1-CD1 4.15Å; L6-I46 HydrophobicContact CD1-CG1 3.71Å; L6-I46 HydrophobicContact CD2-CG1 4.14Å; L6-T49 HydrophobicContact CD2-CG2 3.9Å; L6-I51 HydrophobicContact CD2-CD1 4.23Å
7G98.7Very high96.5Very high2 Ų243.9 Ų43.92%0.02124%0.243CC..EExtended strand (participates in β ladder)trans-161.2140.817400000111.2N18 V19 G21 D298G7-N18 CarbonylContact C-O 3.58Å; G7-N18 WeakPolarHBondContact CA-O 3.37Å; G7-V19 VanDerWaalsContact CA-O 3.3Å; G7-V19 WeakPolarHBondContact CA-O 3.46Å; G7-G21 PolarHBondContact N-O 2.89Å; G7-G21 PolarHBondContact O-N 3.31Å; G7-D298 WeakPolarHBondContact CA-OD1 3.3Å
8T98.4Very high96.6Very high0 Ų042.7 Ų42.70%024%0.236CC..  trans-132.77.3-167.456.90000113.6F5 R17 N18 H269 I270 A296 D298F5-T8 HydrophobicContact CB-CG2 3.82Å; F5-T8 HydrophobicContact CD1-CG2 3.86Å; F5-T8 HydrophobicContact CG-CG2 4.17Å; T8-R17 WeakPolarHBondContact OG1-CG 3.39Å; T8-R17 PolarHBondContact OG1-NH1 2.79Å; T8-N18 PolarHBondContact N-O 3.14Å; T8-H269 WeakPolarHBondContact O-CA 3.2Å; T8-H269 PolarHBondContact O-N 3.15Å; T8-H269 VanDerWaalsContact O-N 3.16Å; T8-I270 PolarHBondContact O-N 3.28Å; T8-A296 HydrophobicContact CG2-CB 3.85Å; T8-D298 PolarHBondContact N-OD1 3.49Å; T8-D298 PolarHBondContact OG1-OD1 3.27Å
9G97.5Very high96.7Very high2 Ų240.6 Ų40.62%0.02123%0.225CC..BIsolated β-bridgetrans-95.7149.1-178.600000112.2N18G9-N18 WeakPolarHBondContact CA-O 3.22Å; G9-N18 PolarHBondContact N-O 2.85Å
10A97.1Very high96.8Very high13 Ų1339.1 Ų39.111%0.10722%0.217CC..SBendtrans-94.8134.717900000114V12 T233 H269 I270A10-V12 PolarHBondContact O-N 2.88Å; A10-T233 HydrophobicContact CB-CG2 4.14Å; A10-H269 VanDerWaalsContact CA-CD2 3.5Å; A10-H269 WeakPolarHBondContact CA-CD2 3.41Å; A10-H269 VanDerWaalsContact CA-NE2 3.32Å; A10-H269 WeakPolarHBondContact CA-NE2 3.42Å; A10-H269 VanDerWaalsContact CB-CE1 3.4Å; A10-H269 WeakPolarHBondContact CB-CE1 3.47Å; A10-H269 WeakPolarHBondContact CB-NE2 3.39Å; A10-H269 WeakPolarHBondContact CB-O 3.49Å; A10-I270 PolarHBondContact N-O 3.37Å; A10-I270 VanDerWaalsContact N-O 3.1Å
11G96.6Very high96.9Very high44 Ų4437.4 Ų37.445%0.45421%0.208SC..SBendtrans73.3-46.2168.300000115.6D67G11-D67 WeakPolarHBondContact CA-OD2 3.41Å; G11-D67 PolarHBondContact N-OD2 3.23Å
12V96.6Very high97Very high89 Ų8937.2 Ų37.254%0.53921%0.207SC..SBendtrans-143.1150.4-177-640000111.2A10 V19A10-V12 PolarHBondContact O-N 2.88Å; V12-V19 VanDerWaalsContact C-CG1 3.49Å
13P96.7Very high97Very high82 Ų8234.5 Ų34.553%0.53220%0.195SC..  trans-67.8141.5176.128-34.4000110.9V19P13-V19 HydrophobicContact CB-CG1 4.49Å
14A93.1Very high97Very high42 Ų4234.5 Ų34.535%0.34720%0.195SC..BIsolated β-bridgetrans-122.6164.9175.300000110.6H16 R17 A272A14-H16 PolarHBondContact O-N 2.68Å; A14-R17 PolarHBondContact N-O 3.34Å; A14-R17 CarbonylContact O-C 3.54Å; A14-R17 PolarHBondContact O-N 2.74Å; A14-R17 VanDerWaalsContact O-O 3.06Å; A14-A272 HydrophobicContact CB-CB 4.09Å
15K88.1Confident97Very high204 Ų20435 Ų3589%0.88720%0.197SC*.THydrogen-bonded Turntrans-53.4-29.7-179-70.4-176.3179.5178.40114.1
16H90.2Very high97Very high157 Ų15735 Ų3573%0.72720%0.197SC*.THydrogen-bonded Turntrans-113.4-8.9-174-57.2-58000113.9A14A14-H16 PolarHBondContact O-N 2.68Å
17R96.6Very high96.9Very high29 Ų2938.4 Ų38.411%0.10922%0.215CC..BIsolated β-bridgetrans-145.3118.5-175.3-59.5-177.6-178.9-835.8109.3T8 A14 I295 A296 D298T8-R17 WeakPolarHBondContact OG1-CG 3.39Å; T8-R17 PolarHBondContact OG1-NH1 2.79Å; A14-R17 PolarHBondContact N-O 3.34Å; A14-R17 CarbonylContact O-C 3.54Å; A14-R17 PolarHBondContact O-N 2.74Å; A14-R17 VanDerWaalsContact O-O 3.06Å; R17-I295 VanDerWaalsContact NH2-CG2 3.3Å; R17-A296 PolarHBondContact NH1-O 3.31Å; R17-D298 WeakPolarHBondContact CA-OD2 3.29Å
18N98.4Very high96.8Very high22 Ų2245.5 Ų45.512%0.11825%0.252CS..  trans-71.9164.7164.4-165.550.8000110.2G7 T8 G9 E40 Q45 D298G7-N18 CarbonylContact C-O 3.58Å; G7-N18 WeakPolarHBondContact CA-O 3.37Å; T8-N18 PolarHBondContact N-O 3.14Å; G9-N18 WeakPolarHBondContact CA-O 3.22Å; G9-N18 PolarHBondContact N-O 2.85Å; N18-E40 PolarHBondContact ND2-O 3.21Å; N18-E40 PolarHBondContact OD1-O 2.96Å; N18-Q45 HydrophobicContact CB-CG 3.99Å; N18-D298 PolarHBondContact N-OD2 3.32Å
19V98.7Very high96.6Very high4 Ų446.8 Ų46.82%0.02426%0.258CS..BIsolated β-bridgetrans-64163.2170.3-67.60000112.5G7 V12 P13 G21 E40 D67G7-V19 VanDerWaalsContact CA-O 3.3Å; G7-V19 WeakPolarHBondContact CA-O 3.46Å; V12-V19 VanDerWaalsContact C-CG1 3.49Å; P13-V19 HydrophobicContact CB-CG1 4.49Å; V19-G21 PolarHBondContact O-N 2.88Å; V19-E40 HydrophobicContact CG2-CB 4.4Å; V19-E40 WeakPolarHBondContact CG2-O 3.3Å; V19-D67 HydrophobicContact CB-CB 3.78Å; V19-D67 WeakPolarHBondContact CB-O 3.47Å; V19-D67 HydrophobicContact CG1-CB 3.61Å
20S98.8Very high96.5Very high10 Ų1049.2 Ų49.27%0.0727%0.267CS..SBendtrans-44125.2-171.8-63.40000115.2G39 D67 H68 H269S20-G39 WeakPolarHBondContact O-CA 3.45Å; S20-G39 PolarHBondContact O-N 3.03Å; S20-D67 PolarHBondContact N-O 3.34Å; S20-H68 VanDerWaalsContact CB-CE1 3.48Å; S20-H68 WeakPolarHBondContact CB-CE1 3.5Å; S20-H68 PolarHBondContact OG-CE1 3.2Å; S20-H68 PolarHBondContact OG-NE2 3.06Å; S20-H269 PolarHBondContact OG-CD2 3.09Å; S20-H269 VanDerWaalsContact OG-CD2 3.3Å
21G98.8Very high96.5Very high3 Ų353.2 Ų53.23%0.03129%0.286CS..EExtended strand (participates in β ladder)trans-169.7130.1168.700000109.9L6 G7 V19L6-G21 CarbonylContact C-O 3.53Å; L6-G21 WeakPolarHBondContact CA-O 3.48Å; L6-G21 WeakPolarHBondContact CB-O 3.43Å; L6-G21 PolarHBondContact N-O 3.41Å; G7-G21 PolarHBondContact N-O 2.89Å; G7-G21 PolarHBondContact O-N 3.31Å; V19-G21 PolarHBondContact O-N 2.88Å
22L98.9Very high96.6Very high10 Ų1051.4 Ų51.45%0.05227%0.267CS..EExtended strand (participates in β ladder)trans-136133-176.817465.4000109.6L3 F5 L35 F36 I208 V229L3-L22 HydrophobicContact CB-CD1 4.19Å; L3-L22 HydrophobicContact CD2-CD1 4.06Å; L3-L22 HydrophobicContact CD2-CD2 4.1Å; L3-L22 HydrophobicContact CD2-CG 4.19Å; F5-L22 HydrophobicContact CD1-CD1 3.8Å; F5-L22 HydrophobicContact CD2-CD1 4.13Å; F5-L22 HydrophobicContact CE1-CD1 3.87Å; F5-L22 HydrophobicContact CE2-CD1 4.17Å; F5-L22 HydrophobicContact CG-CD1 3.93Å; F5-L22 HydrophobicContact CZ-CD1 4.05Å; L22-L35 CarbonylContact O-C 3.5Å; L22-L35 WeakPolarHBondContact O-CA 3.44Å; L22-F36 HydrophobicContact CB-CB 4.2Å; L22-F36 HydrophobicContact CD2-CB 4.41Å; L22-F36 PolarHBondContact N-O 3.3Å; L22-F36 PolarHBondContact O-N 2.81Å; L22-I208 HydrophobicContact CD2-CD1 3.85Å; L22-I208 HydrophobicContact CD2-CG1 4.12Å; L22-I208 HydrophobicContact CD2-CG2 3.95Å; L22-V229 HydrophobicContact CD2-CB 4.43Å; L22-V229 HydrophobicContact CD2-CG1 4.18Å; L22-V229 HydrophobicContact CD2-CG2 4.09Å
23A98.9Very high96.7Very high0 Ų047.3 Ų47.30%024%0.242CC..EExtended strand (participates in β ladder)trans-105.9123.2173.600000110.6L3 E4 L6 I33 L35 I51L3-A23 CarbonylContact C-O 3.58Å; L3-A23 WeakPolarHBondContact CA-O 3.45Å; E4-A23 HydrophobicContact CB-CB 4.38Å; E4-A23 PolarHBondContact N-O 3.18Å; E4-A23 PolarHBondContact O-N 2.95Å; L6-A23 HydrophobicContact CD1-CB 4.22Å; A23-I33 HydrophobicContact CB-CG2 4.02Å; A23-L35 HydrophobicContact CB-CD2 3.82Å; A23-I51 HydrophobicContact CB-CD1 3.38Å
24L98.9Very high96.8Very high0 Ų043.4 Ų43.40%022%0.217CC..EExtended strand (participates in β ladder)trans-92109163.1-178.967.3000108.3M1 L3 L26 I33 W34 F36 V149 V206M1-L24 HydrophobicContact CG-CD1 3.71Å; M1-L24 HydrophobicContact SD-CD1 4.09Å; L3-L24 HydrophobicContact CD2-CB 4.23Å; L3-L24 HydrophobicContact CD2-CD1 3.67Å; L3-L24 HydrophobicContact CG-CD1 4.33Å; L24-L26 HydrophobicContact CD1-CD2 4.36Å; L24-L26 HydrophobicContact CD2-CD1 4.16Å; L24-L26 HydrophobicContact CD2-CD2 4.09Å; L24-L26 HydrophobicContact CD2-CG 4.23Å; L24-L26 HydrophobicContact CG-CD1 4.45Å; L24-L26 HydrophobicContact CG-CD2 3.92Å; L24-L26 HydrophobicContact CG-CG 4.02Å; L24-I33 WeakPolarHBondContact O-CA 3.39Å; L24-W34 HydrophobicContact CB-CB 4.37Å; L24-W34 HydrophobicContact CD2-CE3 4.13Å; L24-W34 PolarHBondContact N-O 3.12Å; L24-W34 PolarHBondContact O-N 3.49Å; L24-F36 HydrophobicContact CB-CD2 4.28Å; L24-F36 HydrophobicContact CB-CE2 3.8Å; L24-F36 HydrophobicContact CD2-CE2 4.1Å; L24-V149 HydrophobicContact CD2-CB 4.37Å; L24-V149 HydrophobicContact CD2-CG1 3.9Å; L24-V149 HydrophobicContact CD2-CG2 4.24Å; L24-V206 HydrophobicContact CD1-CG2 4.45Å
25K98.7Very high97Very high21 Ų2141.4 Ų41.49%0.09120%0.2CC..EExtended strand (participates in β ladder)trans-88.1112.1-179.6-66.7162.168.8-171.40109M1 E2 E4 I33M1-K25 WeakPolarHBondContact CA-O 3.38Å; E2-K25 HydrophobicContact CB-CB 4.24Å; E2-K25 HydrophobicContact CB-CD 4.47Å; E2-K25 PolarHBondContact N-O 2.95Å; E2-K25 VanDerWaalsContact N-O 3.12Å; E2-K25 PolarHBondContact O-N 3.3Å; E2-K25 WeakPolarHBondContact OE2-CE 3.43Å; E2-K25 IonicContact OE2-NZ 2.71Å; E2-K25 PolarHBondContact OE2-NZ 3.26Å; E4-K25 HydrophobicContact CB-CD 3.91Å; E4-K25 WeakPolarHBondContact OE2-CD 3.23Å; E4-K25 WeakPolarHBondContact OE2-CE 3.34Å; E4-K25 IonicContact OE2-NZ 2.97Å; E4-K25 PolarHBondContact OE2-NZ 2.92Å; K25-I33 HydrophobicContact CG-CD1 4.49Å; K25-I33 HydrophobicContact CG-CG1 4.29Å
26L98.4Very high97.6Very high0 Ų031.9 Ų31.90%016%0.159CC..EExtended strand (participates in β ladder)trans-113.541178.9-57.6176.6000109.8M1 L24 E29 R30 N31 A32 W34 F131M1-L26 HydrophobicContact CB-CD2 4.35Å; M1-L26 HydrophobicContact CE-CD2 3.82Å; M1-L26 HydrophobicContact CG-CD2 3.79Å; M1-L26 HydrophobicContact SD-CD2 4.37Å; L24-L26 HydrophobicContact CD1-CD2 4.36Å; L24-L26 HydrophobicContact CD2-CD1 4.16Å; L24-L26 HydrophobicContact CD2-CD2 4.09Å; L24-L26 HydrophobicContact CD2-CG 4.23Å; L24-L26 HydrophobicContact CG-CD1 4.45Å; L24-L26 HydrophobicContact CG-CD2 3.92Å; L24-L26 HydrophobicContact CG-CG 4.02Å; L26-E29 VanDerWaalsContact C-OE2 3.31Å; L26-E29 VanDerWaalsContact CA-OE2 3.22Å; L26-E29 WeakPolarHBondContact CA-OE2 3.28Å; L26-E29 HydrophobicContact CB-CB 4.27Å; L26-R30 HydrophobicContact CB-CG 3.81Å; L26-R30 HydrophobicContact CD1-CG 4.35Å; L26-R30 CarbonylContact O-C 3.59Å; L26-R30 PolarHBondContact O-N 3.14Å; L26-N31 PolarHBondContact O-N 3.07Å; L26-A32 CarbonylContact C-O 3.52Å; L26-A32 WeakPolarHBondContact CA-O 3.42Å; L26-A32 PolarHBondContact N-O 3.2Å; L26-A32 PolarHBondContact O-N 3.14Å; L26-W34 HydrophobicContact CD1-CD2 3.65Å; L26-W34 HydrophobicContact CD1-CE3 3.89Å; L26-W34 HydrophobicContact CD1-CG 4.15Å; L26-W34 HydrophobicContact CD1-CH2 4.26Å; L26-W34 HydrophobicContact CD1-CZ2 4.04Å; L26-W34 HydrophobicContact CD1-CZ3 4.17Å; L26-F131 HydrophobicContact CD1-CE1 4.44Å; L26-F131 HydrophobicContact CD1-CE2 4.21Å; L26-F131 HydrophobicContact CD1-CZ 4.09Å; L26-F131 HydrophobicContact CD2-CE1 4.22Å; L26-F131 HydrophobicContact CD2-CZ 3.79Å
27L97.3Very high98Very high72 Ų7225.2 Ų25.238%0.37713%0.128SC..Hα-helixtrans-68-41.1-171.4-65179.7000111.7N31 I33L27-N31 WeakPolarHBondContact O-CA 3.34Å; L27-N31 PolarHBondContact O-N 2.75Å; L27-I33 HydrophobicContact CD2-CD1 4.35Å; L27-I33 HydrophobicContact CD2-CG1 4.01Å
28D95.3Very high98.1Very high151 Ų15123.8 Ų23.881%0.80712%0.123SC*.Hα-helixtrans-80.5-30.8177.6-62.4-35.8000111.8
29E95.5Very high98.1Very high27 Ų2722.8 Ų22.813%0.12612%0.118CC..Hα-helixtrans-76.4-45.4-176.7-6674.8-167.600112.2M1 L26 Q130 F131 R204M1-E29 WeakPolarHBondContact CA-OE1 3.31Å; M1-E29 WeakPolarHBondContact CB-OE1 3.41Å; M1-E29 PolarHBondContact N-OE1 2.88Å; L26-E29 VanDerWaalsContact C-OE2 3.31Å; L26-E29 VanDerWaalsContact CA-OE2 3.22Å; L26-E29 WeakPolarHBondContact CA-OE2 3.28Å; L26-E29 HydrophobicContact CB-CB 4.27Å; E29-Q130 PolarHBondContact O-NE2 3.31Å; E29-Q130 PolarHBondContact O-OE1 2.9Å; E29-F131 HydrophobicContact CB-CE2 4.08Å; E29-F131 HydrophobicContact CB-CZ 4.13Å; E29-F131 HydrophobicContact CG-CZ 4.25Å; E29-R204 IonicContact OE1-CZ 3.35Å; E29-R204 IonicContact OE1-NH1 3.16Å; E29-R204 PolarHBondContact OE1-NH1 2.85Å; E29-R204 VanDerWaalsContact OE1-NH1 3.16Å; E29-R204 IonicContact OE1-NH2 3.85Å; E29-R204 PolarHBondContact OE1-NH2 2.84Å
30R95.9Very high98.1Very high54 Ų5428.4 Ų28.420%0.20414%0.144CC..Hα-helixtrans-149.313.8-174.772.2-172.7-53.6139.119.7114.8L26 A32 E57 D128L26-R30 HydrophobicContact CB-CG 3.81Å; L26-R30 HydrophobicContact CD1-CG 4.35Å; L26-R30 CarbonylContact O-C 3.59Å; L26-R30 PolarHBondContact O-N 3.14Å; R30-A32 VanDerWaalsContact C-N 3.25Å; R30-A32 HydrophobicContact CG-CB 3.96Å; R30-A32 PolarHBondContact O-N 3.42Å; R30-E57 IonicContact NE-OE2 3.19Å; R30-D128 IonicContact CZ-OD2 2.65Å; R30-D128 IonicContact NH1-OD1 3.53Å; R30-D128 IonicContact NH1-OD2 2.64Å; R30-D128 PolarHBondContact NH1-OD2 2.93Å; R30-D128 IonicContact NH2-OD2 2.72Å; R30-D128 PolarHBondContact NH2-OD2 3.42Å
31N96.9Very high98.1Very high97 Ų9728.9 Ų28.952%0.51915%0.15SC..SBendtrans56.935.7178.2-163.415.2000114.2L26 L27 K55L26-N31 PolarHBondContact O-N 3.07Å; L27-N31 WeakPolarHBondContact O-CA 3.34Å; L27-N31 PolarHBondContact O-N 2.75Å; N31-K55 PolarHBondContact ND2-NZ 2.92Å; N31-K55 VanDerWaalsContact ND2-NZ 3.12Å; N31-K55 WeakPolarHBondContact O-CD 3.38Å; N31-K55 PolarHBondContact O-NZ 3.41Å; N31-K55 PolarHBondContact OD1-NZ 2.76Å
32A97.6Very high98.1Very high6 Ų628.8 Ų28.85%0.0515%0.149CC..EExtended strand (participates in β ladder)trans-140168.6-176.100000112.8L26 R30 K55 E57L26-A32 CarbonylContact C-O 3.52Å; L26-A32 WeakPolarHBondContact CA-O 3.42Å; L26-A32 PolarHBondContact N-O 3.2Å; L26-A32 PolarHBondContact O-N 3.14Å; R30-A32 VanDerWaalsContact C-N 3.25Å; R30-A32 HydrophobicContact CG-CB 3.96Å; R30-A32 PolarHBondContact O-N 3.42Å; A32-K55 CarbonylContact C-O 3.57Å; A32-K55 WeakPolarHBondContact CA-O 3.22Å; A32-E57 HydrophobicContact CB-CB 3.8Å; A32-E57 HydrophobicContact CB-CG 4.49Å
33I98.4Very high98.1Very high3 Ų330.1 Ų30.12%0.01516%0.155CC..EExtended strand (participates in β ladder)trans-124.9136172.8-63.9171.3000107.7A23 L24 K25 L27 I51 K55 I56 E57A23-I33 HydrophobicContact CB-CG2 4.02Å; L24-I33 WeakPolarHBondContact O-CA 3.39Å; K25-I33 HydrophobicContact CG-CD1 4.49Å; K25-I33 HydrophobicContact CG-CG1 4.29Å; L27-I33 HydrophobicContact CD2-CD1 4.35Å; L27-I33 HydrophobicContact CD2-CG1 4.01Å; I33-I51 HydrophobicContact CD1-CB 4Å; I33-I51 HydrophobicContact CD1-CG1 3.84Å; I33-I51 HydrophobicContact CD1-CG2 3.57Å; I33-K55 HydrophobicContact CD1-CB 4.05Å; I33-K55 HydrophobicContact CG1-CB 4.27Å; I33-K55 PolarHBondContact N-O 2.83Å; I33-I56 HydrophobicContact CG2-CG1 4.49Å; I33-I56 WeakPolarHBondContact O-CA 3.43Å; I33-E57 PolarHBondContact O-N 3.35Å
34W98.8Very high98Very high0 Ų035.1 Ų35.10%018%0.18CC..EExtended strand (participates in β ladder)trans-108.1132.8169.2-64.4-4.8000108.8L24 L26 F36 E57 K58 F60 F126 F131 V133 V149L24-W34 HydrophobicContact CB-CB 4.37Å; L24-W34 HydrophobicContact CD2-CE3 4.13Å; L24-W34 PolarHBondContact N-O 3.12Å; L24-W34 PolarHBondContact O-N 3.49Å; L26-W34 HydrophobicContact CD1-CD2 3.65Å; L26-W34 HydrophobicContact CD1-CE3 3.89Å; L26-W34 HydrophobicContact CD1-CG 4.15Å; L26-W34 HydrophobicContact CD1-CH2 4.26Å; L26-W34 HydrophobicContact CD1-CZ2 4.04Å; L26-W34 HydrophobicContact CD1-CZ3 4.17Å; W34-F36 HydrophobicContact CB-CE2 4.1Å; W34-E57 PolarHBondContact NE1-OE2 2.97Å; W34-K58 WeakPolarHBondContact CA-O 3.29Å; W34-K58 HydrophobicContact CD2-CD 4.4Å; W34-K58 HydrophobicContact CG-CB 4.13Å; W34-K58 HydrophobicContact CZ2-CD 3.98Å; W34-F60 HydrophobicContact CB-CD2 4.42Å; W34-F60 HydrophobicContact CB-CE2 3.99Å; W34-F60 AromaticContact CD2-CE2 3.91Å; W34-F60 HydrophobicContact CD2-CE2 3.91Å; W34-F60 HydrophobicContact CD2-CZ 4.42Å; W34-F60 AromaticContact CE3-CE2 3.8Å; W34-F60 HydrophobicContact CE3-CE2 3.8Å; W34-F60 HydrophobicContact CE3-CZ 4.14Å; W34-F60 HydrophobicContact CG-CE2 4.02Å; W34-F60 HydrophobicContact CZ3-CZ 4.45Å; W34-F126 AromaticContact CH2-CD1 3.98Å; W34-F126 HydrophobicContact CH2-CD1 3.98Å; W34-F126 AromaticContact CH2-CE1 3.69Å; W34-F126 HydrophobicContact CH2-CE1 3.69Å; W34-F126 HydrophobicContact CZ2-CD1 4.45Å; W34-F126 AromaticContact CZ2-CE1 3.88Å; W34-F126 HydrophobicContact CZ2-CE1 3.88Å; W34-F126 HydrophobicContact CZ2-CZ 4.38Å; W34-F131 HydrophobicContact CH2-CB 3.76Å; W34-F131 HydrophobicContact CH2-CD1 4.4Å; W34-F131 HydrophobicContact CH2-CD2 4.41Å; W34-F131 AromaticContact CH2-CG 3.94Å; W34-F131 HydrophobicContact CH2-CG 3.94Å; W34-V133 HydrophobicContact CE3-CG2 4.37Å; W34-V133 HydrophobicContact CH2-CG2 3.91Å; W34-V133 HydrophobicContact CZ3-CG2 3.44Å; W34-V133 VanDerWaalsContact CZ3-CG2 3.44Å; W34-V149 HydrophobicContact CE3-CG1 4.28Å; W34-V149 HydrophobicContact CZ3-CG1 3.72Å; W34-V149 HydrophobicContact CZ3-CG2 4.47Å
35L98.9Very high98Very high0 Ų036.1 Ų36.10%018%0.184CC..EExtended strand (participates in β ladder)trans-98.7139.9173.6-72.2-178.6000110.3L6 L22 A23 I46 I56 K58 I59 F60 L75L6-L35 HydrophobicContact CD1-CD2 3.82Å; L22-L35 CarbonylContact O-C 3.5Å; L22-L35 WeakPolarHBondContact O-CA 3.44Å; A23-L35 HydrophobicContact CB-CD2 3.82Å; L35-I46 HydrophobicContact CD1-CD1 4.44Å; L35-I56 HydrophobicContact CD1-CD1 3.62Å; L35-I56 HydrophobicContact CD1-CG1 4.22Å; L35-I56 HydrophobicContact CD1-CG2 4.05Å; L35-I56 HydrophobicContact CG-CD1 4.26Å; L35-I56 HydrophobicContact CG-CG1 4.35Å; L35-I56 HydrophobicContact CG-CG2 4.03Å; L35-K58 PolarHBondContact N-O 3.47Å; L35-I59 HydrophobicContact CB-CB 4.48Å; L35-I59 HydrophobicContact CB-CG1 4.23Å; L35-I59 HydrophobicContact CB-CG2 4.11Å; L35-I59 HydrophobicContact CD1-CG1 4.5Å; L35-I59 CarbonylContact O-C 3.16Å; L35-I59 WeakPolarHBondContact O-CA 3.13Å; L35-F60 PolarHBondContact O-N 3.04Å; L35-L75 HydrophobicContact CD1-CD2 3.57Å
36F98.9Very high98Very high4 Ų435.2 Ų35.22%0.01818%0.18CC..EExtended strand (participates in β ladder)trans-117.1116170.7-67.1-93.1000107.7L22 L24 W34 F60 F147 V149 I208L22-F36 HydrophobicContact CB-CB 4.2Å; L22-F36 HydrophobicContact CD2-CB 4.41Å; L22-F36 PolarHBondContact N-O 3.3Å; L22-F36 PolarHBondContact O-N 2.81Å; L24-F36 HydrophobicContact CB-CD2 4.28Å; L24-F36 HydrophobicContact CB-CE2 3.8Å; L24-F36 HydrophobicContact CD2-CE2 4.1Å; W34-F36 HydrophobicContact CB-CE2 4.1Å; F36-F60 CarbonylContact C-O 3.47Å; F36-F60 WeakPolarHBondContact CA-O 3.43Å; F36-F60 HydrophobicContact CD1-CB 3.67Å; F36-F60 HydrophobicContact CD1-CD2 4.2Å; F36-F60 HydrophobicContact CD1-CG 4.17Å; F36-F60 HydrophobicContact CE1-CB 3.74Å; F36-F60 AromaticContact CE1-CD2 3.66Å; F36-F60 HydrophobicContact CE1-CD2 3.66Å; F36-F60 HydrophobicContact CE1-CE2 4.41Å; F36-F60 AromaticContact CE1-CG 3.73Å; F36-F60 HydrophobicContact CE1-CG 3.73Å; F36-F60 HydrophobicContact CE2-CD2 4.19Å; F36-F60 HydrophobicContact CG-CB 4.43Å; F36-F60 AromaticContact CZ-CD2 3.64Å; F36-F60 HydrophobicContact CZ-CD2 3.64Å; F36-F60 HydrophobicContact CZ-CE2 4.05Å; F36-F60 HydrophobicContact CZ-CG 4.19Å; F36-F147 HydrophobicContact CD1-CB 4.18Å; F36-F147 AromaticContact CD1-CD2 3.7Å; F36-F147 HydrophobicContact CD1-CD2 3.7Å; F36-F147 HydrophobicContact CD1-CE2 4.38Å; F36-F147 HydrophobicContact CD1-CG 4.06Å; F36-F147 HydrophobicContact CE1-CB 3.67Å; F36-F147 AromaticContact CE1-CD2 3.99Å; F36-F147 HydrophobicContact CE1-CD2 3.99Å; F36-F147 AromaticContact CE1-CG 3.85Å; F36-F147 HydrophobicContact CE1-CG 3.85Å; F36-V149 HydrophobicContact CE1-CG2 4.18Å; F36-V149 HydrophobicContact CE2-CG2 4.43Å; F36-V149 HydrophobicContact CZ-CG2 3.55Å; F36-I208 HydrophobicContact CB-CD1 4.3Å; F36-I208 HydrophobicContact CB-CG2 4.19Å; F36-I208 HydrophobicContact CD1-CB 4.34Å; F36-I208 HydrophobicContact CD1-CD1 3.69Å; F36-I208 HydrophobicContact CD1-CG2 4.27Å; F36-I208 HydrophobicContact CD2-CD1 3.45Å; F36-I208 VanDerWaalsContact CD2-CD1 3.45Å; F36-I208 HydrophobicContact CE1-CD1 3.82Å; F36-I208 HydrophobicContact CE2-CD1 3.58Å; F36-I208 HydrophobicContact CG-CD1 3.52Å; F36-I208 HydrophobicContact CG-CG2 4.32Å; F36-I208 HydrophobicContact CZ-CD1 3.78Å
37D98.9Very high97.9Very high16 Ų1641.2 Ų41.29%0.08621%0.212CC..EExtended strand (participates in β ladder)trans55.6159.3-164.4-63-34.6000114F60 I61 S62 H68D37-F60 PolarHBondContact N-O 3.21Å; D37-I61 WeakPolarHBondContact OD1-CA 3.49Å; D37-S62 VanDerWaalsContact CG-OG 3.28Å; D37-S62 PolarHBondContact OD1-N 3Å; D37-S62 PolarHBondContact OD1-OG 2.66Å; D37-S62 PolarHBondContact OD2-OG 2.84Å; D37-H68 HydrophobicContact CB-CB 4.14Å; D37-H68 IonicContact OD1-ND1 3.74Å; D37-H68 IonicContact OD2-CE1 3.83Å; D37-H68 IonicContact OD2-CG 3.28Å; D37-H68 IonicContact OD2-ND1 3.82Å; D37-H68 PolarHBondContact OD2-ND1 3.48Å
38C98.9Very high97.9Very high0 Ų045.9 Ų45.90%022%0.224CC..EExtended strand (participates in β ladder)trans-151.364.3-177.6-1760000109.7I61 H68 I69 G71 L72C38-I61 HydrophobicContact CB-CD1 4.36Å; C38-H68 CarbonylContact C-O 3.35Å; C38-H68 WeakPolarHBondContact CA-O 3.3Å; C38-H68 PolarHBondContact N-O 3.46Å; C38-I69 CarbonylContact O-C 3.59Å; C38-G71 VanDerWaalsContact O-CA 3.23Å; C38-G71 WeakPolarHBondContact O-CA 3.35Å; C38-G71 PolarHBondContact O-N 2.81Å; C38-G71 VanDerWaalsContact SG-C 3.55Å; C38-L72 HydrophobicContact CB-CD2 3.64Å; C38-L72 HydrophobicContact CB-CG 3.91Å
39G98.9Very high98.1Very high0 Ų039.8 Ų39.80%019%0.193CC..  trans-58.2163.6173.200000113.2S20 G41 T42 D67 H68 G71S20-G39 WeakPolarHBondContact O-CA 3.45Å; S20-G39 PolarHBondContact O-N 3.03Å; G39-G41 PolarHBondContact O-N 3.48Å; G39-T42 PolarHBondContact N-OG1 3.32Å; G39-T42 VanDerWaalsContact O-CB 3.31Å; G39-T42 WeakPolarHBondContact O-CB 3.34Å; G39-T42 PolarHBondContact O-N 2.89Å; G39-T42 VanDerWaalsContact O-N 3.09Å; G39-T42 PolarHBondContact O-OG1 3.06Å; G39-D67 WeakPolarHBondContact CA-O 3.19Å; G39-H68 PolarHBondContact N-O 3.39Å; G39-G71 WeakPolarHBondContact O-CA 3.31Å
40E98.8Very high98.1Very high123 Ų12345.9 Ų45.958%0.57523%0.226SC*.THydrogen-bonded Turntrans-50.4138.9175.8-171176.6179.900111.2N18 V19 T42 F70N18-E40 PolarHBondContact ND2-O 3.21Å; N18-E40 PolarHBondContact OD1-O 2.96Å; V19-E40 HydrophobicContact CG2-CB 4.4Å; V19-E40 WeakPolarHBondContact CG2-O 3.3Å; E40-T42 VanDerWaalsContact C-N 3.28Å; E40-T42 PolarHBondContact O-N 3.32Å; E40-F70 HydrophobicContact CB-CB 4.06Å
41G98.3Very high98.2Very high20 Ų2043.8 Ų43.821%0.20622%0.219CC..THydrogen-bonded Turntrans80.6-5.6-178.800000115.3G39 Q43 M44 Q45G39-G41 PolarHBondContact O-N 3.48Å; G41-Q43 VanDerWaalsContact C-N 3.27Å; G41-Q43 PolarHBondContact O-N 3.26Å; G41-M44 CarbonylContact O-C 3.57Å; G41-M44 WeakPolarHBondContact O-CA 3.26Å; G41-M44 VanDerWaalsContact O-CB 3.29Å; G41-M44 WeakPolarHBondContact O-CB 3.45Å; G41-M44 PolarHBondContact O-N 3.49Å; G41-Q45 PolarHBondContact O-N 2.99Å
42T98.8Very high98Very high0 Ų045.3 Ų45.30%022%0.221CC..Hα-helixtrans-50.9-44.5177.2-66.50000112.7L6 G39 E40 M44 Q45 I46L6-T42 HydrophobicContact CD1-CG2 3.93Å; G39-T42 PolarHBondContact N-OG1 3.32Å; G39-T42 VanDerWaalsContact O-CB 3.31Å; G39-T42 WeakPolarHBondContact O-CB 3.34Å; G39-T42 PolarHBondContact O-N 2.89Å; G39-T42 VanDerWaalsContact O-N 3.09Å; G39-T42 PolarHBondContact O-OG1 3.06Å; E40-T42 VanDerWaalsContact C-N 3.28Å; E40-T42 PolarHBondContact O-N 3.32Å; T42-M44 VanDerWaalsContact C-N 3.27Å; T42-M44 PolarHBondContact O-N 3.13Å; T42-Q45 PolarHBondContact O-N 3.16Å; T42-I46 HydrophobicContact CG2-CD1 4.18Å; T42-I46 WeakPolarHBondContact O-CG1 3.46Å; T42-I46 PolarHBondContact O-N 3.48Å
43Q98.1Very high97.9Very high39 Ų3945.6 Ų45.618%0.18222%0.222CC..Hα-helixtrans-63.2-31.6175.767.4174.7-44.900113.3G41 I46 L47 G74 L75 S78G41-Q43 VanDerWaalsContact C-N 3.27Å; G41-Q43 PolarHBondContact O-N 3.26Å; Q43-I46 PolarHBondContact O-N 3.22Å; Q43-L47 WeakPolarHBondContact O-CG 3.39Å; Q43-L47 PolarHBondContact O-N 2.97Å; Q43-G74 VanDerWaalsContact NE2-C 3.33Å; Q43-G74 VanDerWaalsContact NE2-CA 3.33Å; Q43-G74 PolarHBondContact OE1-O 3.15Å; Q43-L75 HydrophobicContact CB-CB 4.33Å; Q43-L75 HydrophobicContact CB-CD1 3.93Å; Q43-S78 PolarHBondContact OE1-OG 3.41Å
44M98.1Very high97.7Very high105 Ų10551.1 Ų51.152%0.51724%0.243SC..Hα-helixtrans-74-36.6177.6-54.1-57.9174.600110.5G41 T42 L47G41-M44 CarbonylContact O-C 3.57Å; G41-M44 WeakPolarHBondContact O-CA 3.26Å; G41-M44 VanDerWaalsContact O-CB 3.29Å; G41-M44 WeakPolarHBondContact O-CB 3.45Å; G41-M44 PolarHBondContact O-N 3.49Å; T42-M44 VanDerWaalsContact C-N 3.27Å; T42-M44 PolarHBondContact O-N 3.13Å; M44-L47 WeakPolarHBondContact O-CB 3.49Å; M44-L47 PolarHBondContact O-N 2.71Å; M44-L47 HydrophobicContact SD-CD1 4.18Å
45Q98.6Very high97.6Very high20 Ų2054.1 Ų54.19%0.09326%0.256CS..Hα-helixtrans-64.7-41.3172.3-62.2-72.595.400110.4L6 N18 G41 T42 L47 R48 D298 F299L6-Q45 HydrophobicContact CB-CB 4.13Å; L6-Q45 HydrophobicContact CD2-CB 4.39Å; L6-Q45 WeakPolarHBondContact O-CB 2.99Å; L6-Q45 WeakPolarHBondContact O-CG 3.32Å; L6-Q45 PolarHBondContact O-NE2 2.88Å; N18-Q45 HydrophobicContact CB-CG 3.99Å; G41-Q45 PolarHBondContact O-N 2.99Å; T42-Q45 PolarHBondContact O-N 3.16Å; Q45-L47 VanDerWaalsContact C-N 3.26Å; Q45-L47 PolarHBondContact O-N 2.81Å; Q45-R48 WeakPolarHBondContact O-CB 3.49Å; Q45-R48 PolarHBondContact O-N 3.5Å; Q45-D298 PolarHBondContact NE2-OD2 2.95Å; Q45-F299 HydrophobicContact CB-CE1 4.18Å; Q45-F299 HydrophobicContact CB-CZ 4.38Å
46I98.2Very high97.5Very high3 Ų354.1 Ų54.12%0.01526%0.256CS..Hα-helixtrans-57.1-36.1173.6-73.4168.8000112.5L6 L35 T42 Q43 R48 T49 I51 P53 I56 L75L6-I46 HydrophobicContact CD1-CD1 4.15Å; L6-I46 HydrophobicContact CD1-CG1 3.71Å; L6-I46 HydrophobicContact CD2-CG1 4.14Å; L35-I46 HydrophobicContact CD1-CD1 4.44Å; T42-I46 HydrophobicContact CG2-CD1 4.18Å; T42-I46 WeakPolarHBondContact O-CG1 3.46Å; T42-I46 PolarHBondContact O-N 3.48Å; Q43-I46 PolarHBondContact O-N 3.22Å; I46-R48 PolarHBondContact O-N 2.7Å; I46-R48 VanDerWaalsContact O-N 3.07Å; I46-T49 PolarHBondContact O-N 2.75Å; I46-T49 PolarHBondContact O-OG1 2.94Å; I46-T49 VanDerWaalsContact O-OG1 3.07Å; I46-I51 HydrophobicContact CD1-CG2 4.33Å; I46-I51 HydrophobicContact CG1-CG2 4.18Å; I46-I51 HydrophobicContact CG2-CB 4.08Å; I46-I51 HydrophobicContact CG2-CG2 3.89Å; I46-I51 VanDerWaalsContact CG2-O 3.29Å; I46-I51 WeakPolarHBondContact CG2-O 3.13Å; I46-P53 HydrophobicContact CG2-CG 4.19Å; I46-I56 HydrophobicContact CD1-CD1 4.13Å; I46-L75 HydrophobicContact CD1-CD1 3.94Å
47L96.9Very high97.5Very high126 Ų12656.5 Ų56.566%0.6627%0.267SS*.THydrogen-bonded Turntrans-62.6-16.6177-66.3175.2000113.6Q43 M44 Q45Q43-L47 WeakPolarHBondContact O-CG 3.39Å; Q43-L47 PolarHBondContact O-N 2.97Å; M44-L47 WeakPolarHBondContact O-CB 3.49Å; M44-L47 PolarHBondContact O-N 2.71Å; M44-L47 HydrophobicContact SD-CD1 4.18Å; Q45-L47 VanDerWaalsContact C-N 3.26Å; Q45-L47 PolarHBondContact O-N 2.81Å
48R97.9Very high97.5Very high169 Ų16956 Ų5664%0.63826%0.264SS*.THydrogen-bonded Turntrans-95.42.5178.3-57.6173.260.7-173.2-0.5112.4Q45 I46 F299Q45-R48 WeakPolarHBondContact O-CB 3.49Å; Q45-R48 PolarHBondContact O-N 3.5Å; I46-R48 PolarHBondContact O-N 2.7Å; I46-R48 VanDerWaalsContact O-N 3.07Å; R48-F299 HydrophobicContact CB-CE1 3.86Å; R48-F299 HydrophobicContact CB-CZ 4.03Å; R48-F299 HydrophobicContact CG-CZ 4.46Å; R48-F299 VanDerWaalsContact CZ-CZ 3.41Å; R48-F299 VanDerWaalsContact NH1-CE2 3.28Å
49T97.9Very high97.5Very high23 Ų2356 Ų5614%0.14126%0.264CS..SBendtrans-121.6-178.3-179.577.50000111.3E4 L6 I46 I51 F299E4-T49 WeakPolarHBondContact OE1-CB 3.49Å; E4-T49 WeakPolarHBondContact OE1-CG2 3.39Å; L6-T49 HydrophobicContact CD2-CG2 3.9Å; I46-T49 PolarHBondContact O-N 2.75Å; I46-T49 PolarHBondContact O-OG1 2.94Å; I46-T49 VanDerWaalsContact O-OG1 3.07Å; T49-I51 VanDerWaalsContact C-N 3.3Å; T49-I51 VanDerWaalsContact OG1-CB 3.3Å; T49-I51 WeakPolarHBondContact OG1-CB 3.45Å; T49-I51 WeakPolarHBondContact OG1-CG1 3.23Å; T49-I51 PolarHBondContact OG1-N 2.88Å; T49-I51 VanDerWaalsContact OG1-N 3.09Å; T49-F299 HydrophobicContact CG2-CD1 3.75Å; T49-F299 HydrophobicContact CG2-CE1 4.02Å
50N96Very high97.5Very high156 Ų15656 Ų5683%0.83426%0.264SS*.SBendtrans-90.35.4172.7-67.4-46.5000112.9K52N50-K52 PolarHBondContact O-N 2.85Å
51I97.4Very high97.5Very high9 Ų950.1 Ų50.15%0.04624%0.237CC..  trans-70.1126178.6-65.6176.7000109L6 A23 I33 I46 T49L6-I51 HydrophobicContact CD2-CD1 4.23Å; A23-I51 HydrophobicContact CB-CD1 3.38Å; I33-I51 HydrophobicContact CD1-CB 4Å; I33-I51 HydrophobicContact CD1-CG1 3.84Å; I33-I51 HydrophobicContact CD1-CG2 3.57Å; I46-I51 HydrophobicContact CD1-CG2 4.33Å; I46-I51 HydrophobicContact CG1-CG2 4.18Å; I46-I51 HydrophobicContact CG2-CB 4.08Å; I46-I51 HydrophobicContact CG2-CG2 3.89Å; I46-I51 VanDerWaalsContact CG2-O 3.29Å; I46-I51 WeakPolarHBondContact CG2-O 3.13Å; T49-I51 VanDerWaalsContact C-N 3.3Å; T49-I51 VanDerWaalsContact OG1-CB 3.3Å; T49-I51 WeakPolarHBondContact OG1-CB 3.45Å; T49-I51 WeakPolarHBondContact OG1-CG1 3.23Å; T49-I51 PolarHBondContact OG1-N 2.88Å; T49-I51 VanDerWaalsContact OG1-N 3.09Å
52K94.5Very high97.5Very high130 Ų13049.2 Ų49.257%0.56523%0.227SC*.  trans-97.8125.1173.9-60.5-176.5-178.3178.90108.7N50 R54 K55N50-K52 PolarHBondContact O-N 2.85Å; K52-R54 HydrophobicContact CB-CG 4.08Å; K52-R54 PolarHBondContact O-N 3.31Å; K52-K55 HydrophobicContact CB-CG 4.18Å; K52-K55 WeakPolarHBondContact O-CB 3.06Å; K52-K55 PolarHBondContact O-N 3.3Å
53P95Very high97.5Very high11 Ų1149.2 Ų49.27%0.07123%0.227CC..G310 helixtrans-52.9-32.8179.4-31.236.6000114.6I46 K55 I56 R79I46-P53 HydrophobicContact CG2-CG 4.19Å; P53-K55 PolarHBondContact O-N 2.97Å; P53-I56 HydrophobicContact CB-CD1 4.42Å; P53-I56 WeakPolarHBondContact O-CB 3.47Å; P53-I56 WeakPolarHBondContact O-CG1 3.12Å; P53-I56 PolarHBondContact O-N 2.99Å; P53-I56 VanDerWaalsContact O-N 3.11Å; P53-R79 HydrophobicContact CB-CB 4.18Å; P53-R79 HydrophobicContact CB-CG 4.4Å; P53-R79 WeakPolarHBondContact O-CD 3.21Å; P53-R79 PolarHBondContact O-NE 3.09Å
54R94.5Very high97.6Very high119 Ų11949.8 Ų49.845%0.44923%0.231SC..G310 helixtrans-61.8-26.7175.169.3178.769-179.9-3.9114.2K52 I56 R79 Q82K52-R54 HydrophobicContact CB-CG 4.08Å; K52-R54 PolarHBondContact O-N 3.31Å; R54-I56 VanDerWaalsContact C-N 3.28Å; R54-R79 PolarHBondContact O-NH2 3.41Å; R54-Q82 PolarHBondContact NH2-O 3.04Å
55K95.9Very high97.6Very high63 Ų6348.2 Ų48.227%0.27422%0.222SC..G310 helixtrans-79.8-10.9178-69.5-70.8178.7-178.80112.9N31 A32 I33 K52 P53 E57N31-K55 PolarHBondContact ND2-NZ 2.92Å; N31-K55 VanDerWaalsContact ND2-NZ 3.12Å; N31-K55 WeakPolarHBondContact O-CD 3.38Å; N31-K55 PolarHBondContact O-NZ 3.41Å; N31-K55 PolarHBondContact OD1-NZ 2.76Å; A32-K55 CarbonylContact C-O 3.57Å; A32-K55 WeakPolarHBondContact CA-O 3.22Å; I33-K55 HydrophobicContact CD1-CB 4.05Å; I33-K55 HydrophobicContact CG1-CB 4.27Å; I33-K55 PolarHBondContact N-O 2.83Å; K52-K55 HydrophobicContact CB-CG 4.18Å; K52-K55 WeakPolarHBondContact O-CB 3.06Å; K52-K55 PolarHBondContact O-N 3.3Å; P53-K55 PolarHBondContact O-N 2.97Å; K55-E57 PolarHBondContact O-N 2.91Å
56I97.8Very high97.6Very high1 Ų148 Ų481%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-71.2112.4173.9-55.2164.7000107.7I33 L35 I46 P53 R54 I59 L75 I88I33-I56 HydrophobicContact CG2-CG1 4.49Å; I33-I56 WeakPolarHBondContact O-CA 3.43Å; L35-I56 HydrophobicContact CD1-CD1 3.62Å; L35-I56 HydrophobicContact CD1-CG1 4.22Å; L35-I56 HydrophobicContact CD1-CG2 4.05Å; L35-I56 HydrophobicContact CG-CD1 4.26Å; L35-I56 HydrophobicContact CG-CG1 4.35Å; L35-I56 HydrophobicContact CG-CG2 4.03Å; I46-I56 HydrophobicContact CD1-CD1 4.13Å; P53-I56 HydrophobicContact CB-CD1 4.42Å; P53-I56 WeakPolarHBondContact O-CB 3.47Å; P53-I56 WeakPolarHBondContact O-CG1 3.12Å; P53-I56 PolarHBondContact O-N 2.99Å; P53-I56 VanDerWaalsContact O-N 3.11Å; R54-I56 VanDerWaalsContact C-N 3.28Å; I56-I59 HydrophobicContact CG2-CD1 4.36Å; I56-I59 HydrophobicContact CG2-CG1 3.85Å; I56-L75 HydrophobicContact CD1-CD1 4.05Å; I56-L75 HydrophobicContact CD1-CD2 4.18Å; I56-I88 HydrophobicContact CB-CD1 4.45Å; I56-I88 HydrophobicContact CG2-CD1 3.89Å
57E98.2Very high97.6Very high54 Ų5448.7 Ų48.725%0.25223%0.23SC..EExtended strand (participates in β ladder)trans-97.8-37.3-178.4-175.2-160.2-165.100111.1R30 A32 I33 W34 K55 I88 I89R30-E57 IonicContact NE-OE2 3.19Å; A32-E57 HydrophobicContact CB-CB 3.8Å; A32-E57 HydrophobicContact CB-CG 4.49Å; I33-E57 PolarHBondContact O-N 3.35Å; W34-E57 PolarHBondContact NE1-OE2 2.97Å; K55-E57 PolarHBondContact O-N 2.91Å; E57-I88 WeakPolarHBondContact O-CG1 3.44Å; E57-I89 PolarHBondContact O-N 3.12Å
58K98.8Very high97.7Very high5 Ų542.8 Ų42.82%0.02220%0.199CC..EExtended strand (participates in β ladder)trans-138.9145-176.2-61.3-179.9177.752.50110.6W34 L35 F60 I89 Y91W34-K58 WeakPolarHBondContact CA-O 3.29Å; W34-K58 HydrophobicContact CD2-CD 4.4Å; W34-K58 HydrophobicContact CG-CB 4.13Å; W34-K58 HydrophobicContact CZ2-CD 3.98Å; L35-K58 PolarHBondContact N-O 3.47Å; K58-F60 HydrophobicContact CB-CD2 4.43Å; K58-F60 HydrophobicContact CB-CE2 3.64Å; K58-F60 HydrophobicContact CB-CZ 3.98Å; K58-F60 HydrophobicContact CD-CE2 4.33Å; K58-F60 HydrophobicContact CD-CZ 3.93Å; K58-I89 VanDerWaalsContact CA-O 3.31Å; K58-I89 WeakPolarHBondContact CA-O 3.35Å; K58-Y91 HydrophobicContact CB-CE2 4.09Å; K58-Y91 HydrophobicContact CD-CE2 3.81Å; K58-Y91 HydrophobicContact CG-CE2 3.97Å
59I98.9Very high97.8Very high0 Ų035.1 Ų35.10%017%0.17CC..EExtended strand (participates in β ladder)trans-125.8128.7171.6-51.6179.3000107.6L35 I56 I61 L72 L75 I88 I89 I90 Y91L35-I59 HydrophobicContact CB-CB 4.48Å; L35-I59 HydrophobicContact CB-CG1 4.23Å; L35-I59 HydrophobicContact CB-CG2 4.11Å; L35-I59 HydrophobicContact CD1-CG1 4.5Å; L35-I59 CarbonylContact O-C 3.16Å; L35-I59 WeakPolarHBondContact O-CA 3.13Å; I56-I59 HydrophobicContact CG2-CD1 4.36Å; I56-I59 HydrophobicContact CG2-CG1 3.85Å; I59-I61 HydrophobicContact CG2-CD1 3.8Å; I59-I61 HydrophobicContact CG2-CG1 4.36Å; I59-L72 HydrophobicContact CD1-CD2 3.87Å; I59-L72 HydrophobicContact CG2-CD2 4Å; I59-L75 HydrophobicContact CD1-CD2 4.06Å; I59-I88 HydrophobicContact CD1-CD1 3.72Å; I59-I88 HydrophobicContact CG1-CD1 3.9Å; I59-I89 PolarHBondContact N-O 3.44Å; I59-I90 HydrophobicContact CB-CG1 4.38Å; I59-I90 HydrophobicContact CB-CG2 4.35Å; I59-I90 HydrophobicContact CD1-CD1 4.47Å; I59-I90 HydrophobicContact CD1-CG1 4.49Å; I59-I90 CarbonylContact O-C 3.6Å; I59-I90 WeakPolarHBondContact O-CA 3.41Å; I59-Y91 PolarHBondContact O-N 3.28Å
60F98.9Very high97.8Very high0 Ų039.5 Ų39.50%019%0.188CC..EExtended strand (participates in β ladder)trans-113.2119.5178.1-59.3-91.1000108.2W34 L35 F36 D37 K58 Y91 I125 V133 F147W34-F60 HydrophobicContact CB-CD2 4.42Å; W34-F60 HydrophobicContact CB-CE2 3.99Å; W34-F60 AromaticContact CD2-CE2 3.91Å; W34-F60 HydrophobicContact CD2-CE2 3.91Å; W34-F60 HydrophobicContact CD2-CZ 4.42Å; W34-F60 AromaticContact CE3-CE2 3.8Å; W34-F60 HydrophobicContact CE3-CE2 3.8Å; W34-F60 HydrophobicContact CE3-CZ 4.14Å; W34-F60 HydrophobicContact CG-CE2 4.02Å; W34-F60 HydrophobicContact CZ3-CZ 4.45Å; L35-F60 PolarHBondContact O-N 3.04Å; F36-F60 CarbonylContact C-O 3.47Å; F36-F60 WeakPolarHBondContact CA-O 3.43Å; F36-F60 HydrophobicContact CD1-CB 3.67Å; F36-F60 HydrophobicContact CD1-CD2 4.2Å; F36-F60 HydrophobicContact CD1-CG 4.17Å; F36-F60 HydrophobicContact CE1-CB 3.74Å; F36-F60 AromaticContact CE1-CD2 3.66Å; F36-F60 HydrophobicContact CE1-CD2 3.66Å; F36-F60 HydrophobicContact CE1-CE2 4.41Å; F36-F60 AromaticContact CE1-CG 3.73Å; F36-F60 HydrophobicContact CE1-CG 3.73Å; F36-F60 HydrophobicContact CE2-CD2 4.19Å; F36-F60 HydrophobicContact CG-CB 4.43Å; F36-F60 AromaticContact CZ-CD2 3.64Å; F36-F60 HydrophobicContact CZ-CD2 3.64Å; F36-F60 HydrophobicContact CZ-CE2 4.05Å; F36-F60 HydrophobicContact CZ-CG 4.19Å; D37-F60 PolarHBondContact N-O 3.21Å; K58-F60 HydrophobicContact CB-CD2 4.43Å; K58-F60 HydrophobicContact CB-CE2 3.64Å; K58-F60 HydrophobicContact CB-CZ 3.98Å; K58-F60 HydrophobicContact CD-CE2 4.33Å; K58-F60 HydrophobicContact CD-CZ 3.93Å; F60-Y91 CarbonylContact C-O 3.56Å; F60-Y91 WeakPolarHBondContact CA-O 3.18Å; F60-Y91 AromaticContact CD1-CD2 3.71Å; F60-Y91 HydrophobicContact CD1-CD2 3.71Å; F60-Y91 AromaticContact CD1-CG 3.71Å; F60-Y91 HydrophobicContact CD1-CG 3.71Å; F60-Y91 HydrophobicContact CE1-CD1 4.18Å; F60-Y91 AromaticContact CE1-CD2 3.44Å; F60-Y91 HydrophobicContact CE1-CD2 3.44Å; F60-Y91 VanDerWaalsContact CE1-CD2 3.44Å; F60-Y91 AromaticContact CE1-CE2 3.83Å; F60-Y91 HydrophobicContact CE1-CE2 3.83Å; F60-Y91 AromaticContact CE1-CG 3.65Å; F60-Y91 HydrophobicContact CE1-CG 3.65Å; F60-Y91 HydrophobicContact CG-CD2 4.39Å; F60-Y91 AromaticContact CZ-CD2 3.92Å; F60-Y91 HydrophobicContact CZ-CD2 3.92Å; F60-Y91 AromaticContact CZ-CE2 3.99Å; F60-Y91 HydrophobicContact CZ-CE2 3.99Å; F60-I125 HydrophobicContact CD1-CD1 3.82Å; F60-I125 HydrophobicContact CE1-CD1 3.82Å; F60-V133 HydrophobicContact CE1-CB 4.48Å; F60-V133 HydrophobicContact CE1-CG1 4Å; F60-V133 HydrophobicContact CZ-CG1 4.47Å; F60-V133 HydrophobicContact CZ-CG2 4.26Å; F60-F147 HydrophobicContact CB-CD1 4.3Å; F60-F147 HydrophobicContact CB-CD2 4.32Å; F60-F147 HydrophobicContact CB-CE1 4.04Å; F60-F147 HydrophobicContact CB-CE2 4.05Å; F60-F147 HydrophobicContact CB-CG 4.44Å; F60-F147 HydrophobicContact CB-CZ 3.91Å; F60-F147 HydrophobicContact CD1-CD1 4.18Å; F60-F147 HydrophobicContact CD1-CE1 4.18Å
61I98.9Very high97.9Very high0 Ų032.3 Ų32.30%015%0.15CC..  trans-105121.9179.8-61.3-53.2000108.5D37 C38 I59 H63 L64 I69 L72 I90 Y91 P93 L96 L120 F147D37-I61 WeakPolarHBondContact OD1-CA 3.49Å; C38-I61 HydrophobicContact CB-CD1 4.36Å; I59-I61 HydrophobicContact CG2-CD1 3.8Å; I59-I61 HydrophobicContact CG2-CG1 4.36Å; I61-H63 VanDerWaalsContact CG2-O 3.24Å; I61-H63 WeakPolarHBondContact CG2-O 3.41Å; I61-L64 HydrophobicContact CG2-CD2 4.35Å; I61-I69 HydrophobicContact CD1-CG2 4.49Å; I61-I69 HydrophobicContact CG2-CG2 3.47Å; I61-I69 VanDerWaalsContact CG2-CG2 3.47Å; I61-L72 HydrophobicContact CD1-CD1 4.03Å; I61-L72 HydrophobicContact CD1-CD2 4.31Å; I61-L72 HydrophobicContact CD1-CG 4.45Å; I61-L72 HydrophobicContact CG1-CD1 4.11Å; I61-I90 HydrophobicContact CG1-CG2 4.37Å; I61-Y91 PolarHBondContact N-O 3.39Å; I61-P93 WeakPolarHBondContact O-CD 3.48Å; I61-L96 HydrophobicContact CB-CD2 3.82Å; I61-L96 HydrophobicContact CG1-CD1 4.29Å; I61-L96 HydrophobicContact CG1-CD2 3.58Å; I61-L96 HydrophobicContact CG2-CD1 4.5Å; I61-L96 HydrophobicContact CG2-CD2 4.33Å; I61-L120 WeakPolarHBondContact O-CD1 3.38Å; I61-F147 WeakPolarHBondContact O-CZ 3.31Å
62S98.8Very high98Very high1 Ų131.9 Ų31.91%0.00715%0.148CC..SBendtrans-68.5-49.9179.459.80000111.6D37 S144 Y145D37-S62 VanDerWaalsContact CG-OG 3.28Å; D37-S62 PolarHBondContact OD1-N 3Å; D37-S62 PolarHBondContact OD1-OG 2.66Å; D37-S62 PolarHBondContact OD2-OG 2.84Å; S62-S144 CarbonylContact O-C 3.55Å; S62-S144 WeakPolarHBondContact O-CA 3.29Å; S62-Y145 WeakPolarHBondContact CB-O 3.31Å; S62-Y145 WeakPolarHBondContact O-CD2 3.38Å; S62-Y145 PolarHBondContact O-N 3.09Å
63H98.8Very high98.2Very high0 Ų026.9 Ų26.90%013%0.128CC..  trans-155.2170.8-179.268-66.5000111.9I61 H65 H68 I69 H140 I142 D143 D211I61-H63 VanDerWaalsContact CG2-O 3.24Å; I61-H63 WeakPolarHBondContact CG2-O 3.41Å; H63-H65 AromaticContact CD2-CE1 3.97Å; H63-H65 AromaticContact CD2-CG 3.41Å; H63-H65 VanDerWaalsContact CD2-CG 3.41Å; H63-H65 AromaticContact CD2-ND1 3.15Å; H63-H65 PolarHBondContact CD2-ND1 3.28Å; H63-H65 WeakPolarHBondContact NE2-CB 3.38Å; H63-H65 AromaticContact NE2-CG 3.42Å; H63-H65 AromaticContact NE2-ND1 2.95Å; H63-H65 PolarHBondContact NE2-ND1 2.72Å; H63-H65 PolarHBondContact O-N 2.72Å; H63-H68 AromaticContact CE1-CD2 3.32Å; H63-H68 PolarHBondContact CE1-CD2 2.74Å; H63-H68 AromaticContact CE1-CE1 3.39Å; H63-H68 PolarHBondContact CE1-CE1 3.03Å; H63-H68 AromaticContact CE1-CG 3.5Å; H63-H68 AromaticContact CE1-ND1 3.53Å; H63-H68 AromaticContact CE1-NE2 3.32Å; H63-H68 PolarHBondContact CE1-NE2 3.37Å; H63-H68 VanDerWaalsContact CE1-NE2 3.32Å; H63-H68 AromaticContact ND1-CG 3.9Å; H63-H68 AromaticContact ND1-ND1 3.85Å; H63-H68 AromaticContact NE2-CD2 3.75Å; H63-H68 AromaticContact NE2-NE2 3.94Å; H63-I69 WeakPolarHBondContact O-CG2 3.43Å; H63-H140 AromaticContact CD2-CD2 3.63Å; H63-H140 AromaticContact CD2-NE2 3.73Å; H63-H140 AromaticContact NE2-CD2 3.93Å; H63-H140 AromaticContact NE2-NE2 3.63Å; H63-I142 HydrophobicContact CB-CD1 4.07Å; H63-I142 HydrophobicContact CB-CG1 4.18Å; H63-D143 WeakPolarHBondContact CB-O 3.32Å; H63-D211 IonicContact CE1-OD1 3.52Å; H63-D211 IonicContact CE1-OD2 3.61Å; H63-D211 PolarHBondContact CE1-OD2 3.39Å; H63-D211 IonicContact NE2-OD2 3.42Å
64L98.8Very high98.4Very high51 Ų5127.5 Ų27.527%0.26714%0.137SC..  trans-92.218.7-170.8-56.8-170.6000115.6I61 I69 P93 A94 L96 I142I61-L64 HydrophobicContact CG2-CD2 4.35Å; L64-I69 HydrophobicContact CB-CD1 4.27Å; L64-I69 HydrophobicContact CD2-CD1 4.46Å; L64-I69 HydrophobicContact CD2-CG2 4.39Å; L64-I69 WeakPolarHBondContact O-CD1 3.41Å; L64-P93 HydrophobicContact CD2-CB 4.36Å; L64-P93 HydrophobicContact CD2-CG 4.13Å; L64-P93 HydrophobicContact CG-CB 4.18Å; L64-P93 HydrophobicContact CG-CG 4.19Å; L64-A94 VanDerWaalsContact CD1-O 3.23Å; L64-A94 WeakPolarHBondContact CD1-O 3.38Å; L64-L96 HydrophobicContact CD2-CB 3.92Å; L64-L96 HydrophobicContact CD2-CD1 3.96Å; L64-L96 HydrophobicContact CD2-CG 4.47Å; L64-I142 HydrophobicContact CB-CD1 4.19Å
65H98.8Very high98.6Very high71 Ų7122 Ų2233%0.32912%0.117SC..  trans-69.5148.8170.7-72.5155.4000111.7H63 D67 H68 I69 H140H63-H65 AromaticContact CD2-CE1 3.97Å; H63-H65 AromaticContact CD2-CG 3.41Å; H63-H65 VanDerWaalsContact CD2-CG 3.41Å; H63-H65 AromaticContact CD2-ND1 3.15Å; H63-H65 PolarHBondContact CD2-ND1 3.28Å; H63-H65 WeakPolarHBondContact NE2-CB 3.38Å; H63-H65 AromaticContact NE2-CG 3.42Å; H63-H65 AromaticContact NE2-ND1 2.95Å; H63-H65 PolarHBondContact NE2-ND1 2.72Å; H63-H65 PolarHBondContact O-N 2.72Å; H65-D67 VanDerWaalsContact C-N 3.32Å; H65-D67 WeakPolarHBondContact CB-OD1 3.43Å; H65-D67 PolarHBondContact O-N 2.88Å; H65-H68 PolarHBondContact O-N 2.67Å; H65-I69 PolarHBondContact O-N 3.26Å; H65-H140 AromaticContact CE1-CD2 3.92Å; H65-H140 AromaticContact CE1-NE2 3.05Å; H65-H140 PolarHBondContact CE1-NE2 3.33Å; H65-H140 AromaticContact ND1-NE2 3.26Å; H65-H140 PolarHBondContact ND1-NE2 2.8Å
66G98.7Very high98.7Very high16 Ų1619 Ų1917%0.16510%0.104CC..Hα-helixtrans-62.9-36-169.100000114.3H68 I69 F70G66-H68 PolarHBondContact O-N 2.65Å; G66-H68 VanDerWaalsContact O-N 3.14Å; G66-I69 PolarHBondContact O-N 2.71Å; G66-F70 VanDerWaalsContact CA-CE1 3.44Å; G66-F70 VanDerWaalsContact CA-CE2 3.47Å; G66-F70 WeakPolarHBondContact O-CB 3.4Å; G66-F70 WeakPolarHBondContact O-CG 3.44Å; G66-F70 PolarHBondContact O-N 3Å
67D98.7Very high98.6Very high18 Ų1821.1 Ų21.110%0.09612%0.118CC..Hα-helixtrans-68.4-4.217560.3-44.7000113.8G11 V19 S20 G39 H65 H269G11-D67 WeakPolarHBondContact CA-OD2 3.41Å; G11-D67 PolarHBondContact N-OD2 3.23Å; V19-D67 HydrophobicContact CB-CB 3.78Å; V19-D67 WeakPolarHBondContact CB-O 3.47Å; V19-D67 HydrophobicContact CG1-CB 3.61Å; S20-D67 PolarHBondContact N-O 3.34Å; G39-D67 WeakPolarHBondContact CA-O 3.19Å; H65-D67 VanDerWaalsContact C-N 3.32Å; H65-D67 WeakPolarHBondContact CB-OD1 3.43Å; H65-D67 PolarHBondContact O-N 2.88Å; D67-H269 IonicContact OD2-NE2 3.86Å
68H98.9Very high98.6Very high2 Ų220.1 Ų20.11%0.00912%0.117CC..Hα-helixtrans-113.2-17.2173.1-64.3-107.2000113.4S20 D37 C38 G39 H63 H65 G66 D211 H269S20-H68 VanDerWaalsContact CB-CE1 3.48Å; S20-H68 WeakPolarHBondContact CB-CE1 3.5Å; S20-H68 PolarHBondContact OG-CE1 3.2Å; S20-H68 PolarHBondContact OG-NE2 3.06Å; D37-H68 HydrophobicContact CB-CB 4.14Å; D37-H68 IonicContact OD1-ND1 3.74Å; D37-H68 IonicContact OD2-CE1 3.83Å; D37-H68 IonicContact OD2-CG 3.28Å; D37-H68 IonicContact OD2-ND1 3.82Å; D37-H68 PolarHBondContact OD2-ND1 3.48Å; C38-H68 CarbonylContact C-O 3.35Å; C38-H68 WeakPolarHBondContact CA-O 3.3Å; C38-H68 PolarHBondContact N-O 3.46Å; G39-H68 PolarHBondContact N-O 3.39Å; H63-H68 AromaticContact CE1-CD2 3.32Å; H63-H68 PolarHBondContact CE1-CD2 2.74Å; H63-H68 AromaticContact CE1-CE1 3.39Å; H63-H68 PolarHBondContact CE1-CE1 3.03Å; H63-H68 AromaticContact CE1-CG 3.5Å; H63-H68 AromaticContact CE1-ND1 3.53Å; H63-H68 AromaticContact CE1-NE2 3.32Å; H63-H68 PolarHBondContact CE1-NE2 3.37Å; H63-H68 VanDerWaalsContact CE1-NE2 3.32Å; H63-H68 AromaticContact ND1-CG 3.9Å; H63-H68 AromaticContact ND1-ND1 3.85Å; H63-H68 AromaticContact NE2-CD2 3.75Å; H63-H68 AromaticContact NE2-NE2 3.94Å; H65-H68 PolarHBondContact O-N 2.67Å; G66-H68 PolarHBondContact O-N 2.65Å; G66-H68 VanDerWaalsContact O-N 3.14Å; H68-D211 IonicContact CE1-OD1 3.54Å; H68-D211 PolarHBondContact CE1-OD1 3.3Å; H68-D211 VanDerWaalsContact CE1-OD1 3.28Å; H68-D211 IonicContact NE2-OD1 2.74Å; H68-D211 IonicContact NE2-OD2 2.69Å; H68-H269 AromaticContact NE2-CD2 3.98Å; H68-H269 AromaticContact NE2-NE2 3.6Å
69I98.9Very high98.5Very high8 Ų820 Ų204%0.04112%0.117CC..Hα-helixtrans-128.1-19.3-172.971.2173.9000116C38 I61 H63 L64 H65 G66 G71 L72 L96 Y99C38-I69 CarbonylContact O-C 3.59Å; I61-I69 HydrophobicContact CD1-CG2 4.49Å; I61-I69 HydrophobicContact CG2-CG2 3.47Å; I61-I69 VanDerWaalsContact CG2-CG2 3.47Å; H63-I69 WeakPolarHBondContact O-CG2 3.43Å; L64-I69 HydrophobicContact CB-CD1 4.27Å; L64-I69 HydrophobicContact CD2-CD1 4.46Å; L64-I69 HydrophobicContact CD2-CG2 4.39Å; L64-I69 WeakPolarHBondContact O-CD1 3.41Å; H65-I69 PolarHBondContact O-N 3.26Å; G66-I69 PolarHBondContact O-N 2.71Å; I69-G71 PolarHBondContact O-N 2.81Å; I69-L72 HydrophobicContact CB-CD1 4.13Å; I69-L72 WeakPolarHBondContact O-CB 3.38Å; I69-L72 WeakPolarHBondContact O-CG 3.37Å; I69-L72 PolarHBondContact O-N 2.81Å; I69-L96 HydrophobicContact CG2-CD1 4.3Å; I69-Y99 HydrophobicContact CB-CE1 4.17Å; I69-Y99 HydrophobicContact CD1-CD1 3.9Å; I69-Y99 HydrophobicContact CD1-CE1 4.01Å; I69-Y99 HydrophobicContact CD1-CG 4.18Å; I69-Y99 HydrophobicContact CG1-CD1 4.4Å; I69-Y99 HydrophobicContact CG1-CE1 4.04Å; I69-Y99 WeakPolarHBondContact O-CE1 3.48Å
70F98.9Very high98.4Very high115 Ų11521 Ų2150%0.50412%0.124SC..THydrogen-bonded Turntrans-65.6-15.8-171.3-71.2-9.6000114.3E40 G66 Y99E40-F70 HydrophobicContact CB-CB 4.06Å; G66-F70 VanDerWaalsContact CA-CE1 3.44Å; G66-F70 VanDerWaalsContact CA-CE2 3.47Å; G66-F70 WeakPolarHBondContact O-CB 3.4Å; G66-F70 WeakPolarHBondContact O-CG 3.44Å; G66-F70 PolarHBondContact O-N 3Å; F70-Y99 WeakPolarHBondContact CA-OH 3.34Å; F70-Y99 HydrophobicContact CD1-CE2 4.42Å
71G98.8Very high98.2Very high4 Ų430.1 Ų30.14%0.04116%0.164CC..THydrogen-bonded Turntrans-77.3-19.1173.500000114.4C38 G39 I69 G74 L75C38-G71 VanDerWaalsContact O-CA 3.23Å; C38-G71 WeakPolarHBondContact O-CA 3.35Å; C38-G71 PolarHBondContact O-N 2.81Å; C38-G71 VanDerWaalsContact SG-C 3.55Å; G39-G71 WeakPolarHBondContact O-CA 3.31Å; I69-G71 PolarHBondContact O-N 2.81Å; G71-G74 PolarHBondContact O-N 2.72Å; G71-L75 WeakPolarHBondContact O-CB 3.45Å; G71-L75 PolarHBondContact O-N 2.87Å
72L98.8Very high97.8Very high0 Ų033.7 Ų33.70%018%0.18CC..Hα-helixtrans-58.6-51.4-171.9-73.3171.3000113.7C38 I59 I61 I69 G74 L75 L76 L96 Y99 V100C38-L72 HydrophobicContact CB-CD2 3.64Å; C38-L72 HydrophobicContact CB-CG 3.91Å; I59-L72 HydrophobicContact CD1-CD2 3.87Å; I59-L72 HydrophobicContact CG2-CD2 4Å; I61-L72 HydrophobicContact CD1-CD1 4.03Å; I61-L72 HydrophobicContact CD1-CD2 4.31Å; I61-L72 HydrophobicContact CD1-CG 4.45Å; I61-L72 HydrophobicContact CG1-CD1 4.11Å; I69-L72 HydrophobicContact CB-CD1 4.13Å; I69-L72 WeakPolarHBondContact O-CB 3.38Å; I69-L72 WeakPolarHBondContact O-CG 3.37Å; I69-L72 PolarHBondContact O-N 2.81Å; L72-G74 VanDerWaalsContact C-N 3.28Å; L72-G74 PolarHBondContact O-N 3.28Å; L72-L75 PolarHBondContact O-N 3.39Å; L72-L76 WeakPolarHBondContact O-CB 3.44Å; L72-L76 VanDerWaalsContact O-CG 3.25Å; L72-L76 WeakPolarHBondContact O-CG 3.4Å; L72-L76 PolarHBondContact O-N 2.87Å; L72-L96 HydrophobicContact CD1-CD1 3.68Å; L72-Y99 HydrophobicContact CB-CE1 4.43Å; L72-V100 HydrophobicContact CB-CG2 4.35Å; L72-V100 HydrophobicContact CD1-CG2 4.07Å
73P98.7Very high97.4Very high25 Ų2535.9 Ų35.916%0.16220%0.203CC..Hα-helixtrans-60.5-41.4-175.3-2435.8000112.1S77 Y99P73-S77 WeakPolarHBondContact O-CB 3.44Å; P73-S77 PolarHBondContact O-N 2.76Å; P73-S77 VanDerWaalsContact O-N 3.09Å; P73-Y99 WeakPolarHBondContact CD-OH 3.43Å; P73-Y99 HydrophobicContact CG-CE1 4.05Å; P73-Y99 WeakPolarHBondContact CG-OH 3.43Å
74G98.2Very high97Very high25 Ų2535.9 Ų35.926%0.25820%0.203SC..Hα-helixtrans-66.5-46.7177.800000112.6Q43 G71 L72 L76 S77 S78Q43-G74 VanDerWaalsContact NE2-C 3.33Å; Q43-G74 VanDerWaalsContact NE2-CA 3.33Å; Q43-G74 PolarHBondContact OE1-O 3.15Å; G71-G74 PolarHBondContact O-N 2.72Å; L72-G74 VanDerWaalsContact C-N 3.28Å; L72-G74 PolarHBondContact O-N 3.28Å; G74-L76 PolarHBondContact O-N 2.9Å; G74-S77 PolarHBondContact O-N 2.98Å; G74-S78 WeakPolarHBondContact O-CB 3.48Å; G74-S78 PolarHBondContact O-N 3.27Å; G74-S78 PolarHBondContact O-OG 2.94Å
75L98.5Very high96.8Very high3 Ų340.4 Ų40.42%0.01622%0.222CC..Hα-helixtrans-59.2-46.1178.3177.766.4000111.9L35 Q43 I46 I56 I59 G71 L72 S78 R79L35-L75 HydrophobicContact CD1-CD2 3.57Å; Q43-L75 HydrophobicContact CB-CB 4.33Å; Q43-L75 HydrophobicContact CB-CD1 3.93Å; I46-L75 HydrophobicContact CD1-CD1 3.94Å; I56-L75 HydrophobicContact CD1-CD1 4.05Å; I56-L75 HydrophobicContact CD1-CD2 4.18Å; I59-L75 HydrophobicContact CD1-CD2 4.06Å; G71-L75 WeakPolarHBondContact O-CB 3.45Å; G71-L75 PolarHBondContact O-N 2.87Å; L72-L75 PolarHBondContact O-N 3.39Å; L75-S78 PolarHBondContact O-N 3.25Å; L75-R79 WeakPolarHBondContact O-CB 3.47Å; L75-R79 PolarHBondContact O-N 2.94Å
76L98.5Very high96.6Very high0 Ų042 Ų420%023%0.23CC..Hα-helixtrans-64.5-44.5-179.9-66.2169.7000111.4L72 G74 S78 R79 S80 I88 I90 V100 L111 Y113 L115L72-L76 WeakPolarHBondContact O-CB 3.44Å; L72-L76 VanDerWaalsContact O-CG 3.25Å; L72-L76 WeakPolarHBondContact O-CG 3.4Å; L72-L76 PolarHBondContact O-N 2.87Å; G74-L76 PolarHBondContact O-N 2.9Å; L76-S78 PolarHBondContact O-N 3.46Å; L76-R79 PolarHBondContact O-N 2.77Å; L76-S80 PolarHBondContact O-N 2.78Å; L76-S80 VanDerWaalsContact O-N 3.09Å; L76-I88 HydrophobicContact CD2-CD1 4.2Å; L76-I88 HydrophobicContact CD2-CG2 4.15Å; L76-I90 HydrophobicContact CD1-CD1 3.92Å; L76-I90 HydrophobicContact CD2-CD1 4.13Å; L76-V100 HydrophobicContact CD1-CG1 3.49Å; L76-V100 VanDerWaalsContact CD1-CG1 3.49Å; L76-L111 HydrophobicContact CB-CD2 4.37Å; L76-Y113 VanDerWaalsContact CA-OH 3.24Å; L76-Y113 WeakPolarHBondContact CA-OH 3.43Å; L76-Y113 WeakPolarHBondContact CB-OH 3.42Å; L76-Y113 WeakPolarHBondContact CD2-OH 3.41Å; L76-Y113 PolarHBondContact O-OH 3.12Å; L76-L115 HydrophobicContact CD1-CD2 4.32Å; L76-L115 HydrophobicContact CD2-CD1 4.38Å
77S97.2Very high96.5Very high45 Ų4544.5 Ų44.532%0.31524%0.243SC..Hα-helixtrans-58.8-47.4174.7-169.70000111.5P73 G74 R79 S80 F81P73-S77 WeakPolarHBondContact O-CB 3.44Å; P73-S77 PolarHBondContact O-N 2.76Å; P73-S77 VanDerWaalsContact O-N 3.09Å; G74-S77 PolarHBondContact O-N 2.98Å; S77-R79 PolarHBondContact O-N 3.27Å; S77-S80 WeakPolarHBondContact O-CB 3.3Å; S77-S80 PolarHBondContact O-N 3.07Å; S77-F81 WeakPolarHBondContact O-CB 3.39Å; S77-F81 PolarHBondContact O-N 3.29Å
78S96.5Very high96.5Very high33 Ų3343.7 Ų43.723%0.23124%0.239CC..Hα-helixtrans-62.5-40.3178-72.40000113.1Q43 G74 L75 L76 S80 F81 Q82Q43-S78 PolarHBondContact OE1-OG 3.41Å; G74-S78 WeakPolarHBondContact O-CB 3.48Å; G74-S78 PolarHBondContact O-N 3.27Å; G74-S78 PolarHBondContact O-OG 2.94Å; L75-S78 PolarHBondContact O-N 3.25Å; L76-S78 PolarHBondContact O-N 3.46Å; S78-S80 VanDerWaalsContact C-N 3.31Å; S78-S80 PolarHBondContact O-N 3.07Å; S78-F81 PolarHBondContact O-N 2.91Å; S78-Q82 WeakPolarHBondContact O-CB 3.48Å; S78-Q82 VanDerWaalsContact O-CG 3.26Å; S78-Q82 WeakPolarHBondContact O-CG 3.47Å; S78-Q82 PolarHBondContact O-N 2.81Å
79R97.1Very high96.5Very high4 Ų445.1 Ų45.12%0.01525%0.247CC..Hα-helixtrans-59.8-42.9174.5-176.8179.2-174.9-83.82111.3P53 R54 L75 L76 S77 Q82 G84 E86 Y113P53-R79 HydrophobicContact CB-CB 4.18Å; P53-R79 HydrophobicContact CB-CG 4.4Å; P53-R79 WeakPolarHBondContact O-CD 3.21Å; P53-R79 PolarHBondContact O-NE 3.09Å; R54-R79 PolarHBondContact O-NH2 3.41Å; L75-R79 WeakPolarHBondContact O-CB 3.47Å; L75-R79 PolarHBondContact O-N 2.94Å; L76-R79 PolarHBondContact O-N 2.77Å; S77-R79 PolarHBondContact O-N 3.27Å; R79-Q82 PolarHBondContact O-N 2.84Å; R79-G84 PolarHBondContact O-N 3.31Å; R79-G84 VanDerWaalsContact O-N 3.08Å; R79-E86 VanDerWaalsContact CZ-O 3.31Å; R79-E86 PolarHBondContact NH1-O 3.11Å; R79-E86 PolarHBondContact NH2-O 3.05Å; R79-Y113 HydrophobicContact CB-CE1 4.05Å; R79-Y113 HydrophobicContact CG-CE1 3.87Å; R79-Y113 VanDerWaalsContact NH1-CD2 3.34Å
80S96.6Very high96.5Very high20 Ų2044.8 Ų44.814%0.1425%0.245CC..Hα-helixtrans-65.8-42.8178.4-1740000110.9L76 S77 S78 Q82 G83 L111 A112L76-S80 PolarHBondContact O-N 2.78Å; L76-S80 VanDerWaalsContact O-N 3.09Å; S77-S80 WeakPolarHBondContact O-CB 3.3Å; S77-S80 PolarHBondContact O-N 3.07Å; S78-S80 VanDerWaalsContact C-N 3.31Å; S78-S80 PolarHBondContact O-N 3.07Å; S80-Q82 PolarHBondContact O-N 2.64Å; S80-G83 PolarHBondContact O-N 3.36Å; S80-L111 WeakPolarHBondContact OG-CA 3.35Å; S80-A112 PolarHBondContact OG-N 3.18Å
81F94.2Very high96.5Very high191 Ų19139.7 Ų39.784%0.83822%0.222SC*.Hα-helixtrans-63.3-30.8179.4-168.6-93.8000112.6S77 S78 G83S77-F81 WeakPolarHBondContact O-CB 3.39Å; S77-F81 PolarHBondContact O-N 3.29Å; S78-F81 PolarHBondContact O-N 2.91Å; F81-G83 VanDerWaalsContact C-N 3.26Å; F81-G83 PolarHBondContact O-N 3.08Å
82Q91.9Very high96.5Very high76 Ų7639.6 Ų39.636%0.35522%0.221SC..THydrogen-bonded Turntrans-8713.2179.1-66.6174.138.700114.1R54 S78 R79 S80R54-Q82 PolarHBondContact NH2-O 3.04Å; S78-Q82 WeakPolarHBondContact O-CB 3.48Å; S78-Q82 VanDerWaalsContact O-CG 3.26Å; S78-Q82 WeakPolarHBondContact O-CG 3.47Å; S78-Q82 PolarHBondContact O-N 2.81Å; R79-Q82 PolarHBondContact O-N 2.84Å; S80-Q82 PolarHBondContact O-N 2.64Å
83G89.5Confident96.5Very high46 Ų4639.8 Ų39.847%0.47422%0.223SC..THydrogen-bonded Turntrans73.729.5176.400000114.2S80 F81S80-G83 PolarHBondContact O-N 3.36Å; F81-G83 VanDerWaalsContact C-N 3.26Å; F81-G83 PolarHBondContact O-N 3.08Å
84G91.9Very high96.4Very high0 Ų041.1 Ų41.10%024%0.235CC..  trans-68.9129.9165.300000109.8R79 Y113R79-G84 PolarHBondContact O-N 3.31Å; R79-G84 VanDerWaalsContact O-N 3.08Å; G84-Y113 VanDerWaalsContact O-CD1 3.27Å; G84-Y113 WeakPolarHBondContact O-CD1 3.36Å
85E93.6Very high96.4Very high146 Ų14641.8 Ų41.868%0.68224%0.242SC*.  trans-121.6-23-179.2-66.7-177.217600111.3Y113E85-Y113 VanDerWaalsContact O-CB 3.26Å; E85-Y113 WeakPolarHBondContact O-CB 3.2Å
86E95.1Very high96.4Very high106 Ų10641.8 Ų41.850%0.49524%0.242SC..SBendtrans-66.7141.3-179.3-56.889.6155.100110.5R79 Y113R79-E86 VanDerWaalsContact CZ-O 3.31Å; R79-E86 PolarHBondContact NH1-O 3.11Å; R79-E86 PolarHBondContact NH2-O 3.05Å; E86-Y113 WeakPolarHBondContact O-CB 3.46Å
87P96.8Very high96.5Very high67 Ų6745.9 Ų45.944%0.43526%0.261SS..  trans-54.4147175.6-2432.5000112.5P114P87-P114 WeakPolarHBondContact CA-O 3.44Å; P87-P114 HydrophobicContact CB-CB 4.15Å; P87-P114 HydrophobicContact CB-CG 4.45Å; P87-P114 HydrophobicContact CG-CB 4.26Å; P87-P114 HydrophobicContact CG-CG 4.05Å
88I98Very high96.5Very high1 Ų149 Ų491%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-121.3138.7167.3-161.5173.4000109.1I56 E57 I59 L76 Y113 P114 L115 Q116I56-I88 HydrophobicContact CB-CD1 4.45Å; I56-I88 HydrophobicContact CG2-CD1 3.89Å; E57-I88 WeakPolarHBondContact O-CG1 3.44Å; I59-I88 HydrophobicContact CD1-CD1 3.72Å; I59-I88 HydrophobicContact CG1-CD1 3.9Å; L76-I88 HydrophobicContact CD2-CD1 4.2Å; L76-I88 HydrophobicContact CD2-CG2 4.15Å; I88-Y113 HydrophobicContact CB-CE2 4.37Å; I88-Y113 HydrophobicContact CG2-CD2 4.01Å; I88-Y113 HydrophobicContact CG2-CE2 3.5Å; I88-Y113 VanDerWaalsContact CG2-CE2 3.5Å; I88-P114 PolarHBondContact N-O 3.29Å; I88-L115 HydrophobicContact CG2-CD1 3.45Å; I88-L115 VanDerWaalsContact CG2-CD1 3.45Å; I88-Q116 PolarHBondContact O-N 2.85Å
89I98.7Very high96.6Very high33 Ų3350 Ų5017%0.16927%0.274CS..EExtended strand (participates in β ladder)trans-111.1126.7176.1-48.4177.9000108.2E57 K58 I59 Y91 Q116 V118E57-I89 PolarHBondContact O-N 3.12Å; K58-I89 VanDerWaalsContact CA-O 3.31Å; K58-I89 WeakPolarHBondContact CA-O 3.35Å; I59-I89 PolarHBondContact N-O 3.44Å; I89-Y91 HydrophobicContact CB-CE2 3.8Å; I89-Y91 HydrophobicContact CG2-CD2 4.11Å; I89-Y91 HydrophobicContact CG2-CE1 4.28Å; I89-Y91 HydrophobicContact CG2-CE2 3.48Å; I89-Y91 VanDerWaalsContact CG2-CE2 3.48Å; I89-Q116 WeakPolarHBondContact CA-O 3.36Å; I89-Q116 HydrophobicContact CG1-CB 4.26Å; I89-Q116 HydrophobicContact CG2-CB 4.36Å; I89-V118 HydrophobicContact CG2-CG2 3.8Å
90I98.9Very high96.7Very high0 Ų049.9 Ų49.90%027%0.273CS..EExtended strand (participates in β ladder)trans-108.8118.1176-52.3-173.9000108.7I59 I61 L76 L96 L115 Q116 F117 V118I59-I90 HydrophobicContact CB-CG1 4.38Å; I59-I90 HydrophobicContact CB-CG2 4.35Å; I59-I90 HydrophobicContact CD1-CD1 4.47Å; I59-I90 HydrophobicContact CD1-CG1 4.49Å; I59-I90 CarbonylContact O-C 3.6Å; I59-I90 WeakPolarHBondContact O-CA 3.41Å; I61-I90 HydrophobicContact CG1-CG2 4.37Å; L76-I90 HydrophobicContact CD1-CD1 3.92Å; L76-I90 HydrophobicContact CD2-CD1 4.13Å; I90-L96 HydrophobicContact CG2-CD2 3.52Å; I90-L96 HydrophobicContact CG2-CG 4.4Å; I90-L115 HydrophobicContact CD1-CD1 3.63Å; I90-L115 HydrophobicContact CG1-CD1 3.85Å; I90-Q116 PolarHBondContact N-O 3.03Å; I90-F117 HydrophobicContact CB-CD1 3.97Å; I90-F117 HydrophobicContact CB-CE1 4.08Å; I90-F117 HydrophobicContact CD1-CE1 4.04Å; I90-F117 HydrophobicContact CD1-CZ 4.48Å; I90-F117 HydrophobicContact CG1-CE1 4.48Å; I90-F117 HydrophobicContact CG2-CD1 4.44Å; I90-F117 HydrophobicContact CG2-CE1 4.45Å; I90-F117 CarbonylContact O-C 3.58Å; I90-F117 VanDerWaalsContact O-CA 3.31Å; I90-F117 WeakPolarHBondContact O-CA 3.49Å; I90-V118 PolarHBondContact O-N 3.44Å
91Y98.9Very high96.8Very high8 Ų854.5 Ų54.53%0.03129%0.288CS..EExtended strand (participates in β ladder)trans-97.2128.7175.2-58.5-99.5000108.2K58 I59 F60 I61 I89 V118 I125 F126K58-Y91 HydrophobicContact CB-CE2 4.09Å; K58-Y91 HydrophobicContact CD-CE2 3.81Å; K58-Y91 HydrophobicContact CG-CE2 3.97Å; I59-Y91 PolarHBondContact O-N 3.28Å; F60-Y91 CarbonylContact C-O 3.56Å; F60-Y91 WeakPolarHBondContact CA-O 3.18Å; F60-Y91 AromaticContact CD1-CD2 3.71Å; F60-Y91 HydrophobicContact CD1-CD2 3.71Å; F60-Y91 AromaticContact CD1-CG 3.71Å; F60-Y91 HydrophobicContact CD1-CG 3.71Å; F60-Y91 HydrophobicContact CE1-CD1 4.18Å; F60-Y91 AromaticContact CE1-CD2 3.44Å; F60-Y91 HydrophobicContact CE1-CD2 3.44Å; F60-Y91 VanDerWaalsContact CE1-CD2 3.44Å; F60-Y91 AromaticContact CE1-CE2 3.83Å; F60-Y91 HydrophobicContact CE1-CE2 3.83Å; F60-Y91 AromaticContact CE1-CG 3.65Å; F60-Y91 HydrophobicContact CE1-CG 3.65Å; F60-Y91 HydrophobicContact CG-CD2 4.39Å; F60-Y91 AromaticContact CZ-CD2 3.92Å; F60-Y91 HydrophobicContact CZ-CD2 3.92Å; F60-Y91 AromaticContact CZ-CE2 3.99Å; F60-Y91 HydrophobicContact CZ-CE2 3.99Å; I61-Y91 PolarHBondContact N-O 3.39Å; I89-Y91 HydrophobicContact CB-CE2 3.8Å; I89-Y91 HydrophobicContact CG2-CD2 4.11Å; I89-Y91 HydrophobicContact CG2-CE1 4.28Å; I89-Y91 HydrophobicContact CG2-CE2 3.48Å; I89-Y91 VanDerWaalsContact CG2-CE2 3.48Å; Y91-V118 WeakPolarHBondContact CA-O 3.26Å; Y91-V118 HydrophobicContact CD1-CB 3.55Å; Y91-V118 HydrophobicContact CD1-CG1 3.72Å; Y91-V118 HydrophobicContact CD1-CG2 4.08Å; Y91-V118 HydrophobicContact CE1-CB 3.81Å; Y91-V118 HydrophobicContact CE1-CG1 3.95Å; Y91-V118 HydrophobicContact CE1-CG2 3.81Å; Y91-V118 HydrophobicContact CG-CB 4.27Å; Y91-I125 HydrophobicContact CD1-CB 4.29Å; Y91-I125 HydrophobicContact CD1-CD1 4.06Å; Y91-I125 HydrophobicContact CD1-CG1 4.4Å; Y91-I125 WeakPolarHBondContact CE1-O 3.49Å; Y91-I125 HydrophobicContact CG-CD1 4.41Å; Y91-F126 HydrophobicContact CE1-CB 4.28Å
92G98.7Very high97Very high2 Ų248.2 Ų48.22%0.02127%0.265CS..EExtended strand (participates in β ladder)trans-174.6177.4175.100000114.6V118 E119 L120G92-V118 PolarHBondContact N-O 3.19Å; G92-E119 CarbonylContact O-C 3.56Å; G92-E119 VanDerWaalsContact O-CA 3.31Å; G92-E119 WeakPolarHBondContact O-CA 3.27Å; G92-L120 PolarHBondContact O-N 3.12Å
93P98.5Very high97.4Very high5 Ų545.7 Ų45.73%0.03226%0.256CS..SBendtrans-64.3164.6-179-1626.2000113.3I61 L64 G95 L96 Y145I61-P93 WeakPolarHBondContact O-CD 3.48Å; L64-P93 HydrophobicContact CD2-CB 4.36Å; L64-P93 HydrophobicContact CD2-CG 4.13Å; L64-P93 HydrophobicContact CG-CB 4.18Å; L64-P93 HydrophobicContact CG-CG 4.19Å; P93-G95 PolarHBondContact O-N 3.33Å; P93-L96 WeakPolarHBondContact O-CB 3.44Å; P93-L96 PolarHBondContact O-N 3.5Å; P93-L96 VanDerWaalsContact O-N 3.16Å; P93-Y145 HydrophobicContact CB-CE2 4.07Å; P93-Y145 HydrophobicContact CG-CD2 4.07Å; P93-Y145 HydrophobicContact CG-CE2 3.94Å
94A98.2Very high97.8Very high52 Ų5244.3 Ų44.343%0.4324%0.237SC..THydrogen-bonded Turntrans-50.4128.3172.600000111.4L64 E119L64-A94 VanDerWaalsContact CD1-O 3.23Å; L64-A94 WeakPolarHBondContact CD1-O 3.38Å; A94-E119 HydrophobicContact CB-CG 4.28Å; A94-E119 WeakPolarHBondContact CB-OE1 3.43Å
95G98Very high98.1Very high39 Ų3951.4 Ų51.440%0.40227%0.27SS..THydrogen-bonded Turntrans101.3-16-17900000115.2P93 E97 N98 Y99P93-G95 PolarHBondContact O-N 3.33Å; G95-E97 PolarHBondContact O-N 3.24Å; G95-N98 PolarHBondContact O-N 3.07Å; G95-Y99 PolarHBondContact O-N 3.08Å
96L98.7Very high98.3Very high4 Ų449.7 Ų49.72%0.02127%0.27CS..Hα-helixtrans-59.9-44.9177.8-176.460.8000112.8I61 L64 I69 L72 I90 P93 N98 Y99 V100I61-L96 HydrophobicContact CB-CD2 3.82Å; I61-L96 HydrophobicContact CG1-CD1 4.29Å; I61-L96 HydrophobicContact CG1-CD2 3.58Å; I61-L96 HydrophobicContact CG2-CD1 4.5Å; I61-L96 HydrophobicContact CG2-CD2 4.33Å; L64-L96 HydrophobicContact CD2-CB 3.92Å; L64-L96 HydrophobicContact CD2-CD1 3.96Å; L64-L96 HydrophobicContact CD2-CG 4.47Å; I69-L96 HydrophobicContact CG2-CD1 4.3Å; L72-L96 HydrophobicContact CD1-CD1 3.68Å; I90-L96 HydrophobicContact CG2-CD2 3.52Å; I90-L96 HydrophobicContact CG2-CG 4.4Å; P93-L96 WeakPolarHBondContact O-CB 3.44Å; P93-L96 PolarHBondContact O-N 3.5Å; P93-L96 VanDerWaalsContact O-N 3.16Å; L96-N98 VanDerWaalsContact C-N 3.29Å; L96-N98 PolarHBondContact O-N 3.28Å; L96-Y99 HydrophobicContact CD1-CD1 4.29Å; L96-Y99 WeakPolarHBondContact O-CB 3.34Å; L96-Y99 PolarHBondContact O-N 3.34Å; L96-V100 HydrophobicContact CD1-CG2 4.32Å; L96-V100 PolarHBondContact O-N 3.4Å
97E98.7Very high98.5Very high85 Ų8548.9 Ų48.940%0.39727%0.272SS..Hα-helixtrans-58.4-43.5177.7176164.2-16100111.2G95 V100 R101 F117G95-E97 PolarHBondContact O-N 3.24Å; E97-V100 PolarHBondContact O-N 3.49Å; E97-R101 HydrophobicContact CG-CG 4.13Å; E97-R101 VanDerWaalsContact O-CB 3.29Å; E97-R101 WeakPolarHBondContact O-CB 3.47Å; E97-R101 VanDerWaalsContact O-CG 3.3Å; E97-R101 WeakPolarHBondContact O-CG 3.15Å; E97-R101 PolarHBondContact O-N 2.98Å; E97-R101 IonicContact OE1-CZ 3.55Å; E97-R101 IonicContact OE1-NE 3.27Å; E97-R101 PolarHBondContact OE1-NE 3.32Å; E97-R101 IonicContact OE1-NH2 3.6Å; E97-R101 PolarHBondContact OE1-NH2 2.64Å; E97-F117 HydrophobicContact CB-CB 4.06Å; E97-F117 HydrophobicContact CB-CD1 3.77Å; E97-F117 HydrophobicContact CB-CD2 3.98Å; E97-F117 HydrophobicContact CB-CE1 4.17Å; E97-F117 HydrophobicContact CB-CE2 4.35Å; E97-F117 HydrophobicContact CB-CG 3.66Å; E97-F117 HydrophobicContact CB-CZ 4.44Å; E97-F117 HydrophobicContact CG-CB 4.28Å; E97-F117 HydrophobicContact CG-CD1 4.24Å; E97-F117 HydrophobicContact CG-CD2 3.52Å; E97-F117 HydrophobicContact CG-CE1 4.49Å; E97-F117 HydrophobicContact CG-CE2 3.8Å; E97-F117 HydrophobicContact CG-CG 3.75Å; E97-F117 HydrophobicContact CG-CZ 4.28Å; E97-F117 WeakPolarHBondContact OE1-CD2 3.41Å
98N98.7Very high98.6Very high110 Ų11054.4 Ų54.459%0.58829%0.289SS*.Hα-helixtrans-63.9-43.5178.5-175.647.8000111.9G95 L96 T102G95-N98 PolarHBondContact O-N 3.07Å; L96-N98 VanDerWaalsContact C-N 3.29Å; L96-N98 PolarHBondContact O-N 3.28Å; N98-T102 WeakPolarHBondContact O-CB 3.15Å; N98-T102 PolarHBondContact O-N 3.08Å; N98-T102 PolarHBondContact O-OG1 3.22Å; N98-T102 PolarHBondContact OD1-OG1 2.99Å
99Y98.8Very high98.5Very high56 Ų5656.2 Ų56.222%0.2230%0.3CS..Hα-helixtrans-56.9-51.6175.5166.3-109.5000111.7I69 F70 L72 P73 G95 L96 S103I69-Y99 HydrophobicContact CB-CE1 4.17Å; I69-Y99 HydrophobicContact CD1-CD1 3.9Å; I69-Y99 HydrophobicContact CD1-CE1 4.01Å; I69-Y99 HydrophobicContact CD1-CG 4.18Å; I69-Y99 HydrophobicContact CG1-CD1 4.4Å; I69-Y99 HydrophobicContact CG1-CE1 4.04Å; I69-Y99 WeakPolarHBondContact O-CE1 3.48Å; F70-Y99 WeakPolarHBondContact CA-OH 3.34Å; F70-Y99 HydrophobicContact CD1-CE2 4.42Å; L72-Y99 HydrophobicContact CB-CE1 4.43Å; P73-Y99 WeakPolarHBondContact CD-OH 3.43Å; P73-Y99 HydrophobicContact CG-CE1 4.05Å; P73-Y99 WeakPolarHBondContact CG-OH 3.43Å; G95-Y99 PolarHBondContact O-N 3.08Å; L96-Y99 HydrophobicContact CD1-CD1 4.29Å; L96-Y99 WeakPolarHBondContact O-CB 3.34Å; L96-Y99 PolarHBondContact O-N 3.34Å; Y99-S103 WeakPolarHBondContact O-CB 3.39Å; Y99-S103 PolarHBondContact O-N 3.42Å; Y99-S103 PolarHBondContact O-OG 3.17Å
100V98.8Very high98.4Very high0 Ų065.6 Ų65.60%033%0.334CS..Hα-helixtrans-66.8-47.7-178.5175.80000110.9L72 L76 L96 E97 T102 S103 L104 L115 F117L72-V100 HydrophobicContact CB-CG2 4.35Å; L72-V100 HydrophobicContact CD1-CG2 4.07Å; L76-V100 HydrophobicContact CD1-CG1 3.49Å; L76-V100 VanDerWaalsContact CD1-CG1 3.49Å; L96-V100 HydrophobicContact CD1-CG2 4.32Å; L96-V100 PolarHBondContact O-N 3.4Å; E97-V100 PolarHBondContact O-N 3.49Å; V100-T102 PolarHBondContact O-N 3.03Å; V100-S103 PolarHBondContact O-N 3.32Å; V100-L104 HydrophobicContact CG1-CD1 3.94Å; V100-L104 HydrophobicContact CG1-CG 4.39Å; V100-L104 WeakPolarHBondContact O-CG 3.34Å; V100-L104 PolarHBondContact O-N 2.94Å; V100-L115 HydrophobicContact CG1-CD2 3.97Å; V100-F117 HydrophobicContact CB-CE1 3.94Å; V100-F117 HydrophobicContact CB-CZ 3.72Å; V100-F117 HydrophobicContact CG1-CE1 4.28Å; V100-F117 HydrophobicContact CG1-CZ 3.73Å; V100-F117 HydrophobicContact CG2-CE1 4.05Å; V100-F117 HydrophobicContact CG2-CZ 4.32Å
101R98.5Very high98.4Very high118 Ų11867.5 Ų67.545%0.44534%0.344SS..Hα-helixtrans-63.6-42.3-178.9-73.6-168-174.9-68.4-4.6112.4E97 L104 Q105 F117E97-R101 HydrophobicContact CG-CG 4.13Å; E97-R101 VanDerWaalsContact O-CB 3.29Å; E97-R101 WeakPolarHBondContact O-CB 3.47Å; E97-R101 VanDerWaalsContact O-CG 3.3Å; E97-R101 WeakPolarHBondContact O-CG 3.15Å; E97-R101 PolarHBondContact O-N 2.98Å; E97-R101 IonicContact OE1-CZ 3.55Å; E97-R101 IonicContact OE1-NE 3.27Å; E97-R101 PolarHBondContact OE1-NE 3.32Å; E97-R101 IonicContact OE1-NH2 3.6Å; E97-R101 PolarHBondContact OE1-NH2 2.64Å; R101-L104 PolarHBondContact O-N 2.81Å; R101-Q105 VanDerWaalsContact O-CB 3.23Å; R101-Q105 WeakPolarHBondContact O-CB 3.39Å; R101-Q105 PolarHBondContact O-N 2.93Å; R101-F117 HydrophobicContact CG-CE2 4.37Å
102T98.8Very high98.2Very high58 Ų5870.2 Ų70.236%0.35637%0.368SS..Hα-helixtrans-62.7-46.4177.1-65.60000110.2N98 V100 L104 Q105 V106N98-T102 WeakPolarHBondContact O-CB 3.15Å; N98-T102 PolarHBondContact O-N 3.08Å; N98-T102 PolarHBondContact O-OG1 3.22Å; N98-T102 PolarHBondContact OD1-OG1 2.99Å; V100-T102 PolarHBondContact O-N 3.03Å; T102-L104 PolarHBondContact O-N 2.86Å; T102-Q105 PolarHBondContact O-N 2.97Å; T102-Q105 VanDerWaalsContact O-N 3.17Å; T102-V106 HydrophobicContact CG2-CG1 4.27Å; T102-V106 WeakPolarHBondContact O-CG1 3.32Å; T102-V106 WeakPolarHBondContact O-CG2 3.5Å; T102-V106 PolarHBondContact O-N 2.9Å
103S98.8Very high98.2Very high24 Ų2470.6 Ų70.617%0.16837%0.369CS..Hα-helixtrans-56.7-47.7177.7-59.80000111.8Y99 V100 V106 T107Y99-S103 WeakPolarHBondContact O-CB 3.39Å; Y99-S103 PolarHBondContact O-N 3.42Å; Y99-S103 PolarHBondContact O-OG 3.17Å; V100-S103 PolarHBondContact O-N 3.32Å; S103-V106 WeakPolarHBondContact O-CG2 3.43Å; S103-T107 WeakPolarHBondContact O-CG2 3.43Å; S103-T107 PolarHBondContact O-N 3.01Å; S103-T107 PolarHBondContact O-OG1 2.87Å
104L98.6Very high98.1Very high16 Ų1673.7 Ų73.78%0.08439%0.389CS..Hα-helixtrans-67.3-36.7177.7-63174.2000112.5V100 R101 T102 T107 K108 T109 L111 L115V100-L104 HydrophobicContact CG1-CD1 3.94Å; V100-L104 HydrophobicContact CG1-CG 4.39Å; V100-L104 WeakPolarHBondContact O-CG 3.34Å; V100-L104 PolarHBondContact O-N 2.94Å; R101-L104 PolarHBondContact O-N 2.81Å; T102-L104 PolarHBondContact O-N 2.86Å; L104-T107 PolarHBondContact O-OG1 3Å; L104-K108 PolarHBondContact O-N 3.49Å; L104-K108 VanDerWaalsContact O-N 3.13Å; L104-T109 HydrophobicContact CD2-CG2 3.71Å; L104-T109 PolarHBondContact O-N 2.65Å; L104-L111 HydrophobicContact CD1-CD1 3.78Å; L104-L111 HydrophobicContact CD1-CG 4.23Å; L104-L111 HydrophobicContact CD2-CD2 4.36Å; L104-L115 HydrophobicContact CD1-CD2 4.03Å
105Q98.5Very high98.1Very high149 Ų14972.5 Ų72.570%0.69638%0.375SS*.Hα-helixtrans-66.1-48.7179.6-179.2-177.9-6.800111.7R101 T102 T107 K108R101-Q105 VanDerWaalsContact O-CB 3.23Å; R101-Q105 WeakPolarHBondContact O-CB 3.39Å; R101-Q105 PolarHBondContact O-N 2.93Å; T102-Q105 PolarHBondContact O-N 2.97Å; T102-Q105 VanDerWaalsContact O-N 3.17Å; Q105-T107 VanDerWaalsContact C-N 3.29Å; Q105-T107 PolarHBondContact O-N 2.98Å; Q105-K108 PolarHBondContact O-N 2.69Å
106V98.6Very high98.1Very high110 Ų11075.4 Ų75.467%0.66738%0.378SS*.Hα-helixtrans-68.8-29.7-176.8-60.30000112.2T102 S103 K108T102-V106 HydrophobicContact CG2-CG1 4.27Å; T102-V106 WeakPolarHBondContact O-CG1 3.32Å; T102-V106 WeakPolarHBondContact O-CG2 3.5Å; T102-V106 PolarHBondContact O-N 2.9Å; S103-V106 WeakPolarHBondContact O-CG2 3.43Å; V106-K108 VanDerWaalsContact C-N 3.28Å
107T98.4Very high98.1Very high89 Ų8976.9 Ų76.955%0.54639%0.385SS..THydrogen-bonded Turntrans-83.8-3172.762.50000113.3S103 L104 Q105 T109S103-T107 WeakPolarHBondContact O-CG2 3.43Å; S103-T107 PolarHBondContact O-N 3.01Å; S103-T107 PolarHBondContact O-OG1 2.87Å; L104-T107 PolarHBondContact O-OG1 3Å; Q105-T107 VanDerWaalsContact C-N 3.29Å; Q105-T107 PolarHBondContact O-N 2.98Å; T107-T109 PolarHBondContact O-N 2.82Å; T107-T109 PolarHBondContact OG1-OG1 2.78Å
108K98Very high98.1Very high184 Ų18475.4 Ų75.480%0.838%0.381SS*.THydrogen-bonded Turntrans55.628.8-173.4-55.1-179.4-179.6177.80113.2L104 Q105 V106 R110L104-K108 PolarHBondContact O-N 3.49Å; L104-K108 VanDerWaalsContact O-N 3.13Å; Q105-K108 PolarHBondContact O-N 2.69Å; V106-K108 VanDerWaalsContact C-N 3.28Å; K108-R110 PolarHBondContact O-N 2.76Å
109T97.9Very high98.1Very high38 Ų3876.4 Ų76.423%0.23338%0.382CS..  trans-71.3128.5178-61.60000110L104 T107 L111L104-T109 HydrophobicContact CD2-CG2 3.71Å; L104-T109 PolarHBondContact O-N 2.65Å; T107-T109 PolarHBondContact O-N 2.82Å; T107-T109 PolarHBondContact OG1-OG1 2.78Å; T109-L111 HydrophobicContact CG2-CD2 3.96Å
110R96.2Very high98.1Very high230 Ų23074.1 Ų74.187%0.86837%0.374SS*.  trans-111.9119.6170.5-63.8-177-179.6-169.1-0.9108.4K108K108-R110 PolarHBondContact O-N 2.76Å
111L97.6Very high97.9Very high41 Ų4178 Ų7822%0.21540%0.401CS..  trans-80.9139.2177.5-57.4178.9000109.9L76 S80 L104 T109 Y113 L115L76-L111 HydrophobicContact CB-CD2 4.37Å; S80-L111 WeakPolarHBondContact OG-CA 3.35Å; L104-L111 HydrophobicContact CD1-CD1 3.78Å; L104-L111 HydrophobicContact CD1-CG 4.23Å; L104-L111 HydrophobicContact CD2-CD2 4.36Å; T109-L111 HydrophobicContact CG2-CD2 3.96Å; L111-Y113 HydrophobicContact CB-CD1 4.45Å; L111-Y113 HydrophobicContact CB-CE1 4.34Å; L111-Y113 HydrophobicContact CB-CE2 4.43Å; L111-Y113 HydrophobicContact CD1-CE2 3.9Å; L111-Y113 HydrophobicContact CD2-CE1 4.35Å; L111-Y113 PolarHBondContact O-N 2.94Å; L111-L115 HydrophobicContact CD1-CB 4.11Å; L111-L115 HydrophobicContact CD1-CD2 3.76Å; L111-L115 HydrophobicContact CD1-CG 4.49Å
112A95.9Very high97.8Very high65 Ų6578.1 Ų78.154%0.53741%0.407SS..SBendtrans-78.1-1.2176.100000113.3S80S80-A112 PolarHBondContact OG-N 3.18Å
113Y97.5Very high97.7Very high10 Ų1076.9 Ų76.94%0.03941%0.405CS..SBendtrans-133.9156.5-17556.7-96.8000111.7L76 R79 G84 E85 E86 I88 L111 L115L76-Y113 VanDerWaalsContact CA-OH 3.24Å; L76-Y113 WeakPolarHBondContact CA-OH 3.43Å; L76-Y113 WeakPolarHBondContact CB-OH 3.42Å; L76-Y113 WeakPolarHBondContact CD2-OH 3.41Å; L76-Y113 PolarHBondContact O-OH 3.12Å; R79-Y113 HydrophobicContact CB-CE1 4.05Å; R79-Y113 HydrophobicContact CG-CE1 3.87Å; R79-Y113 VanDerWaalsContact NH1-CD2 3.34Å; G84-Y113 VanDerWaalsContact O-CD1 3.27Å; G84-Y113 WeakPolarHBondContact O-CD1 3.36Å; E85-Y113 VanDerWaalsContact O-CB 3.26Å; E85-Y113 WeakPolarHBondContact O-CB 3.2Å; E86-Y113 WeakPolarHBondContact O-CB 3.46Å; I88-Y113 HydrophobicContact CB-CE2 4.37Å; I88-Y113 HydrophobicContact CG2-CD2 4.01Å; I88-Y113 HydrophobicContact CG2-CE2 3.5Å; I88-Y113 VanDerWaalsContact CG2-CE2 3.5Å; L111-Y113 HydrophobicContact CB-CD1 4.45Å; L111-Y113 HydrophobicContact CB-CE1 4.34Å; L111-Y113 HydrophobicContact CB-CE2 4.43Å; L111-Y113 HydrophobicContact CD1-CE2 3.9Å; L111-Y113 HydrophobicContact CD2-CE1 4.35Å; L111-Y113 PolarHBondContact O-N 2.94Å; Y113-L115 PolarHBondContact O-N 3.35Å
114P97.5Very high97.7Very high70 Ų7080.2 Ų80.246%0.45542%0.42SS..  trans-66.5131.1174.6-21.234.8000112P87 I88P87-P114 WeakPolarHBondContact CA-O 3.44Å; P87-P114 HydrophobicContact CB-CB 4.15Å; P87-P114 HydrophobicContact CB-CG 4.45Å; P87-P114 HydrophobicContact CG-CB 4.26Å; P87-P114 HydrophobicContact CG-CG 4.05Å; I88-P114 PolarHBondContact N-O 3.29Å
115L98Very high97.7Very high26 Ų2680.6 Ų80.614%0.13642%0.422CS..EExtended strand (participates in β ladder)trans-112.4118.8175.1176.161000109.3L76 I88 I90 V100 L104 L111 Y113 F117L76-L115 HydrophobicContact CD1-CD2 4.32Å; L76-L115 HydrophobicContact CD2-CD1 4.38Å; I88-L115 HydrophobicContact CG2-CD1 3.45Å; I88-L115 VanDerWaalsContact CG2-CD1 3.45Å; I90-L115 HydrophobicContact CD1-CD1 3.63Å; I90-L115 HydrophobicContact CG1-CD1 3.85Å; V100-L115 HydrophobicContact CG1-CD2 3.97Å; L104-L115 HydrophobicContact CD1-CD2 4.03Å; L111-L115 HydrophobicContact CD1-CB 4.11Å; L111-L115 HydrophobicContact CD1-CD2 3.76Å; L111-L115 HydrophobicContact CD1-CG 4.49Å; Y113-L115 PolarHBondContact O-N 3.35Å; L115-F117 HydrophobicContact CD1-CE2 4.34Å; L115-F117 HydrophobicContact CD1-CZ 4.2Å; L115-F117 HydrophobicContact CD2-CE2 3.76Å; L115-F117 HydrophobicContact CD2-CZ 3.66Å; L115-F117 HydrophobicContact CG-CD2 4.47Å; L115-F117 HydrophobicContact CG-CE2 3.64Å; L115-F117 HydrophobicContact CG-CZ 3.84Å
116Q98.4Very high97.7Very high100 Ų10075 Ų7547%0.46740%0.395SS..EExtended strand (participates in β ladder)trans-115148.3179.6-64.9179.6-7.800110.6I88 I89 I90I88-Q116 PolarHBondContact O-N 2.85Å; I89-Q116 WeakPolarHBondContact CA-O 3.36Å; I89-Q116 HydrophobicContact CG1-CB 4.26Å; I89-Q116 HydrophobicContact CG2-CB 4.36Å; I90-Q116 PolarHBondContact N-O 3.03Å
117F98.7Very high97.7Very high36 Ų3676.4 Ų76.416%0.15839%0.393CS..EExtended strand (participates in β ladder)trans-122142.3177.1-65.8-88.8000110.1I90 E97 V100 R101 L115I90-F117 HydrophobicContact CB-CD1 3.97Å; I90-F117 HydrophobicContact CB-CE1 4.08Å; I90-F117 HydrophobicContact CD1-CE1 4.04Å; I90-F117 HydrophobicContact CD1-CZ 4.48Å; I90-F117 HydrophobicContact CG1-CE1 4.48Å; I90-F117 HydrophobicContact CG2-CD1 4.44Å; I90-F117 HydrophobicContact CG2-CE1 4.45Å; I90-F117 CarbonylContact O-C 3.58Å; I90-F117 VanDerWaalsContact O-CA 3.31Å; I90-F117 WeakPolarHBondContact O-CA 3.49Å; E97-F117 HydrophobicContact CB-CB 4.06Å; E97-F117 HydrophobicContact CB-CD1 3.77Å; E97-F117 HydrophobicContact CB-CD2 3.98Å; E97-F117 HydrophobicContact CB-CE1 4.17Å; E97-F117 HydrophobicContact CB-CE2 4.35Å; E97-F117 HydrophobicContact CB-CG 3.66Å; E97-F117 HydrophobicContact CB-CZ 4.44Å; E97-F117 HydrophobicContact CG-CB 4.28Å; E97-F117 HydrophobicContact CG-CD1 4.24Å; E97-F117 HydrophobicContact CG-CD2 3.52Å; E97-F117 HydrophobicContact CG-CE1 4.49Å; E97-F117 HydrophobicContact CG-CE2 3.8Å; E97-F117 HydrophobicContact CG-CG 3.75Å; E97-F117 HydrophobicContact CG-CZ 4.28Å; E97-F117 WeakPolarHBondContact OE1-CD2 3.41Å; V100-F117 HydrophobicContact CB-CE1 3.94Å; V100-F117 HydrophobicContact CB-CZ 3.72Å; V100-F117 HydrophobicContact CG1-CE1 4.28Å; V100-F117 HydrophobicContact CG1-CZ 3.73Å; V100-F117 HydrophobicContact CG2-CE1 4.05Å; V100-F117 HydrophobicContact CG2-CZ 4.32Å; R101-F117 HydrophobicContact CG-CE2 4.37Å; L115-F117 HydrophobicContact CD1-CE2 4.34Å; L115-F117 HydrophobicContact CD1-CZ 4.2Å; L115-F117 HydrophobicContact CD2-CE2 3.76Å; L115-F117 HydrophobicContact CD2-CZ 3.66Å; L115-F117 HydrophobicContact CG-CD2 4.47Å; L115-F117 HydrophobicContact CG-CE2 3.64Å; L115-F117 HydrophobicContact CG-CZ 3.84Å
118V98.6Very high97.7Very high53 Ų5374.8 Ų74.832%0.32138%0.381SS..EExtended strand (participates in β ladder)trans-127.8114.2170.5177.50000107.1I89 I90 Y91 G92I89-V118 HydrophobicContact CG2-CG2 3.8Å; I90-V118 PolarHBondContact O-N 3.44Å; Y91-V118 WeakPolarHBondContact CA-O 3.26Å; Y91-V118 HydrophobicContact CD1-CB 3.55Å; Y91-V118 HydrophobicContact CD1-CG1 3.72Å; Y91-V118 HydrophobicContact CD1-CG2 4.08Å; Y91-V118 HydrophobicContact CE1-CB 3.81Å; Y91-V118 HydrophobicContact CE1-CG1 3.95Å; Y91-V118 HydrophobicContact CE1-CG2 3.81Å; Y91-V118 HydrophobicContact CG-CB 4.27Å; G92-V118 PolarHBondContact N-O 3.19Å
119E98.4Very high97.6Very high131 Ų13175.6 Ų75.661%0.61238%0.384SS*.EExtended strand (participates in β ladder)trans-71.8133.1173.4-165.2170.3128.300109.8G92 A94G92-E119 CarbonylContact O-C 3.56Å; G92-E119 VanDerWaalsContact O-CA 3.31Å; G92-E119 WeakPolarHBondContact O-CA 3.27Å; A94-E119 HydrophobicContact CB-CG 4.28Å; A94-E119 WeakPolarHBondContact CB-OE1 3.43Å
120L98.3Very high97.5Very high8 Ų877.8 Ų77.84%0.04239%0.392CS..  trans-74.6139.4-175.1-67.8175.8000112.5I61 G92 I125 Y145 F147I61-L120 WeakPolarHBondContact O-CD1 3.38Å; G92-L120 PolarHBondContact O-N 3.12Å; L120-I125 HydrophobicContact CD2-CB 4.34Å; L120-I125 HydrophobicContact CD2-CD1 3.54Å; L120-I125 HydrophobicContact CD2-CG2 3.84Å; L120-Y145 HydrophobicContact CB-CD1 4.21Å; L120-Y145 HydrophobicContact CB-CD2 4.18Å; L120-Y145 HydrophobicContact CB-CE1 3.99Å; L120-Y145 HydrophobicContact CB-CE2 3.98Å; L120-Y145 HydrophobicContact CB-CG 4.29Å; L120-Y145 HydrophobicContact CD1-CD1 4.36Å; L120-Y145 HydrophobicContact CD1-CD2 3.57Å; L120-Y145 HydrophobicContact CD1-CE2 4.14Å; L120-Y145 HydrophobicContact CD1-CG 3.7Å; L120-Y145 PolarHBondContact O-OH 3.25Å; L120-F147 HydrophobicContact CD1-CE1 3.78Å; L120-F147 HydrophobicContact CD1-CZ 3.78Å; L120-F147 HydrophobicContact CD2-CE1 4.01Å
121S93.9Very high97.6Very high82 Ų8266.9 Ų66.957%0.57335%0.351SS*.  trans-142.1149.5166.259.70000108.9G123 C135S121-G123 PolarHBondContact O-N 3.06Å; S121-C135 PolarHBondContact O-SG 2.8Å
122E96.7Very high97.7Very high121 Ų12166.1 Ų66.157%0.56535%0.348SS*.SBendtrans-55.4138-177.3-66.4-164.6101.700112.1C135 M136 L137E122-C135 WeakPolarHBondContact CA-O 3.39Å; E122-M136 WeakPolarHBondContact OE1-CG 3.38Å; E122-L137 HydrophobicContact CG-CB 3.86Å; E122-L137 PolarHBondContact OE1-N 2.76Å
123G98.1Very high97.8Very high32 Ų3263 Ų6333%0.3332%0.322SS..EExtended strand (participates in β ladder)trans109.5-154-177.900000113.1S121 I125 E134 C135S121-G123 PolarHBondContact O-N 3.06Å; G123-I125 PolarHBondContact O-N 3.03Å; G123-E134 CarbonylContact O-C 3.32Å; G123-E134 WeakPolarHBondContact O-CA 3.44Å; G123-C135 PolarHBondContact N-O 2.93Å; G123-C135 PolarHBondContact O-N 2.81Å
124I98.5Very high97.9Very high94 Ų9465.3 Ų65.348%0.48233%0.333SS..EExtended strand (participates in β ladder)trans-76.2114.3-174.4-62.5170.4000110.1K127 T132 E134I124-K127 HydrophobicContact CG2-CB 3.92Å; I124-T132 HydrophobicContact CD1-CG2 4.14Å; I124-T132 HydrophobicContact CG1-CG2 3.98Å; I124-T132 HydrophobicContact CG2-CG2 3.99Å; I124-E134 HydrophobicContact CB-CG 4.38Å; I124-E134 HydrophobicContact CG1-CG 3.59Å
125I98.4Very high97.9Very high24 Ų2462.1 Ų62.112%0.12331%0.313CS..EExtended strand (participates in β ladder)trans-97.6-20.8176.761.5169.9000112.7F60 Y91 L120 G123 V133 C135 F147F60-I125 HydrophobicContact CD1-CD1 3.82Å; F60-I125 HydrophobicContact CE1-CD1 3.82Å; Y91-I125 HydrophobicContact CD1-CB 4.29Å; Y91-I125 HydrophobicContact CD1-CD1 4.06Å; Y91-I125 HydrophobicContact CD1-CG1 4.4Å; Y91-I125 WeakPolarHBondContact CE1-O 3.49Å; Y91-I125 HydrophobicContact CG-CD1 4.41Å; L120-I125 HydrophobicContact CD2-CB 4.34Å; L120-I125 HydrophobicContact CD2-CD1 3.54Å; L120-I125 HydrophobicContact CD2-CG2 3.84Å; G123-I125 PolarHBondContact O-N 3.03Å; I125-V133 HydrophobicContact CD1-CG1 3.87Å; I125-V133 HydrophobicContact CG1-CB 4.09Å; I125-V133 HydrophobicContact CG1-CG1 3.9Å; I125-V133 WeakPolarHBondContact CG1-O 3.21Å; I125-V133 PolarHBondContact N-O 2.97Å; I125-C135 HydrophobicContact CD1-CB 4.33Å; I125-C135 HydrophobicContact CG2-CB 4.33Å; I125-C135 VanDerWaalsContact CG2-SG 3.52Å; I125-F147 HydrophobicContact CD1-CD1 3.95Å; I125-F147 HydrophobicContact CD1-CE1 3.99Å
126F98.5Very high97.9Very high30 Ų3061.7 Ų61.713%0.13231%0.31CS..EExtended strand (participates in β ladder)trans-150.3138.1176.4170.1-97.8000110.3W34 Y91 D128 F131 T132 V133W34-F126 AromaticContact CH2-CD1 3.98Å; W34-F126 HydrophobicContact CH2-CD1 3.98Å; W34-F126 AromaticContact CH2-CE1 3.69Å; W34-F126 HydrophobicContact CH2-CE1 3.69Å; W34-F126 HydrophobicContact CZ2-CD1 4.45Å; W34-F126 AromaticContact CZ2-CE1 3.88Å; W34-F126 HydrophobicContact CZ2-CE1 3.88Å; W34-F126 HydrophobicContact CZ2-CZ 4.38Å; Y91-F126 HydrophobicContact CE1-CB 4.28Å; F126-D128 HydrophobicContact CZ-CB 4.04Å; F126-D128 WeakPolarHBondContact CZ-OD2 3.48Å; F126-F131 HydrophobicContact CE1-CB 4.09Å; F126-T132 CarbonylContact O-C 3.58Å; F126-T132 WeakPolarHBondContact O-CA 3.3Å; F126-V133 HydrophobicContact CB-CB 4.16Å; F126-V133 HydrophobicContact CB-CG2 4.39Å; F126-V133 HydrophobicContact CD1-CG2 3.97Å; F126-V133 PolarHBondContact N-O 2.8Å; F126-V133 PolarHBondContact O-N 2.75Å
127K98.3Very high97.9Very high140 Ų14060.3 Ų60.361%0.60931%0.306SS*.EExtended strand (participates in β ladder)trans-151131.9172.9-176.3167.1-175169.50110.9I124 F131 T132I124-K127 HydrophobicContact CG2-CB 3.92Å; K127-F131 WeakPolarHBondContact CA-O 3.43Å; K127-T132 HydrophobicContact CD-CG2 4.43Å
128D97.7Very high97.9Very high55 Ų5559.4 Ų59.429%0.29430%0.302SS..  trans-136.6-157.5166.168.618.3000110.5R30 F126 Q130 F131R30-D128 IonicContact CZ-OD2 2.65Å; R30-D128 IonicContact NH1-OD1 3.53Å; R30-D128 IonicContact NH1-OD2 2.64Å; R30-D128 PolarHBondContact NH1-OD2 2.93Å; R30-D128 IonicContact NH2-OD2 2.72Å; R30-D128 PolarHBondContact NH2-OD2 3.42Å; F126-D128 HydrophobicContact CZ-CB 4.04Å; F126-D128 WeakPolarHBondContact CZ-OD2 3.48Å; D128-Q130 WeakPolarHBondContact OD1-CA 3.37Å; D128-Q130 PolarHBondContact OD1-N 3.25Å; D128-F131 PolarHBondContact N-O 2.89Å; D128-F131 PolarHBondContact OD1-N 2.9Å
129K95.7Very high97.8Very high202 Ų20259.8 Ų59.888%0.87830%0.303SS*.SBendtrans-73.9-24.8179.6-66.7-176178.2-178.60113.9A152K129-A152 WeakPolarHBondContact O-CB 3.5Å
130Q96.7Very high97.8Very high83 Ų8354.4 Ų54.439%0.38828%0.277SS..SBendtrans-106.5-30.4-172.9-71.6-175.6-36.700112.6E29 D128 E151 A152E29-Q130 PolarHBondContact O-NE2 3.31Å; E29-Q130 PolarHBondContact O-OE1 2.9Å; D128-Q130 WeakPolarHBondContact OD1-CA 3.37Å; D128-Q130 PolarHBondContact OD1-N 3.25Å; Q130-E151 CarbonylContact O-C 3.56Å; Q130-E151 WeakPolarHBondContact O-CA 3.45Å; Q130-A152 PolarHBondContact O-N 3.38Å
131F98.5Very high97.6Very high2 Ų256.2 Ų56.21%0.00930%0.298CS..EExtended strand (participates in β ladder)trans-141.1144.9-174.1-72.8-85.3000112.6M1 L26 E29 W34 F126 K127 D128 V149 M150 E151M1-F131 HydrophobicContact CE-CE1 3.61Å; M1-F131 HydrophobicContact CE-CZ 3.88Å; L26-F131 HydrophobicContact CD1-CE1 4.44Å; L26-F131 HydrophobicContact CD1-CE2 4.21Å; L26-F131 HydrophobicContact CD1-CZ 4.09Å; L26-F131 HydrophobicContact CD2-CE1 4.22Å; L26-F131 HydrophobicContact CD2-CZ 3.79Å; E29-F131 HydrophobicContact CB-CE2 4.08Å; E29-F131 HydrophobicContact CB-CZ 4.13Å; E29-F131 HydrophobicContact CG-CZ 4.25Å; W34-F131 HydrophobicContact CH2-CB 3.76Å; W34-F131 HydrophobicContact CH2-CD1 4.4Å; W34-F131 HydrophobicContact CH2-CD2 4.41Å; W34-F131 AromaticContact CH2-CG 3.94Å; W34-F131 HydrophobicContact CH2-CG 3.94Å; F126-F131 HydrophobicContact CE1-CB 4.09Å; K127-F131 WeakPolarHBondContact CA-O 3.43Å; D128-F131 PolarHBondContact N-O 2.89Å; D128-F131 PolarHBondContact OD1-N 2.9Å; F131-V149 HydrophobicContact CD1-CG1 3.87Å; F131-V149 HydrophobicContact CE1-CG1 4.25Å; F131-M150 CarbonylContact C-O 3.2Å; F131-M150 VanDerWaalsContact CA-O 3.25Å; F131-M150 WeakPolarHBondContact CA-O 3.41Å; F131-E151 HydrophobicContact CD1-CB 4.09Å; F131-E151 HydrophobicContact CD1-CG 4.47Å; F131-E151 HydrophobicContact CE1-CB 3.59Å; F131-E151 HydrophobicContact CE1-CG 3.81Å; F131-E151 HydrophobicContact CE2-CG 4.48Å; F131-E151 HydrophobicContact CZ-CB 4.14Å; F131-E151 HydrophobicContact CZ-CG 3.82Å
132T98.7Very high97.8Very high25 Ų2555.6 Ų55.615%0.15329%0.287CS..EExtended strand (participates in β ladder)trans-118.3132.5162.4-57.60000108I124 F126 K127 E134 M150I124-T132 HydrophobicContact CD1-CG2 4.14Å; I124-T132 HydrophobicContact CG1-CG2 3.98Å; I124-T132 HydrophobicContact CG2-CG2 3.99Å; F126-T132 CarbonylContact O-C 3.58Å; F126-T132 WeakPolarHBondContact O-CA 3.3Å; K127-T132 HydrophobicContact CD-CG2 4.43Å; T132-E134 HydrophobicContact CG2-CG 4.31Å; T132-M150 HydrophobicContact CG2-CE 3.84Å; T132-M150 PolarHBondContact N-O 2.64Å; T132-M150 PolarHBondContact O-N 2.78Å
133V98.8Very high97.9Very high0 Ų054.1 Ų54.10%028%0.283CS..EExtended strand (participates in β ladder)trans-116.4122.1170.8-174.10000108.3W34 F60 I125 F126 R148 V149W34-V133 HydrophobicContact CE3-CG2 4.37Å; W34-V133 HydrophobicContact CH2-CG2 3.91Å; W34-V133 HydrophobicContact CZ3-CG2 3.44Å; W34-V133 VanDerWaalsContact CZ3-CG2 3.44Å; F60-V133 HydrophobicContact CE1-CB 4.48Å; F60-V133 HydrophobicContact CE1-CG1 4Å; F60-V133 HydrophobicContact CZ-CG1 4.47Å; F60-V133 HydrophobicContact CZ-CG2 4.26Å; I125-V133 HydrophobicContact CD1-CG1 3.87Å; I125-V133 HydrophobicContact CG1-CB 4.09Å; I125-V133 HydrophobicContact CG1-CG1 3.9Å; I125-V133 WeakPolarHBondContact CG1-O 3.21Å; I125-V133 PolarHBondContact N-O 2.97Å; F126-V133 HydrophobicContact CB-CB 4.16Å; F126-V133 HydrophobicContact CB-CG2 4.39Å; F126-V133 HydrophobicContact CD1-CG2 3.97Å; F126-V133 PolarHBondContact N-O 2.8Å; F126-V133 PolarHBondContact O-N 2.75Å; V133-R148 WeakPolarHBondContact CA-O 3.47Å; V133-V149 HydrophobicContact CG1-CG2 4.38Å; V133-V149 HydrophobicContact CG2-CG1 4.38Å; V133-V149 HydrophobicContact CG2-CG2 4.23Å
134E98.6Very high97.9Very high58 Ų5852.6 Ų52.627%0.27127%0.267SS..EExtended strand (participates in β ladder)trans-107.6149.2172.6-71.5173.8-178.500110G123 I124 T132 F147 R148 M150 F221G123-E134 CarbonylContact O-C 3.32Å; G123-E134 WeakPolarHBondContact O-CA 3.44Å; I124-E134 HydrophobicContact CB-CG 4.38Å; I124-E134 HydrophobicContact CG1-CG 3.59Å; T132-E134 HydrophobicContact CG2-CG 4.31Å; E134-F147 CarbonylContact O-C 3.6Å; E134-F147 WeakPolarHBondContact O-CA 3.39Å; E134-R148 HydrophobicContact CB-CB 4.43Å; E134-R148 PolarHBondContact N-O 2.76Å; E134-R148 PolarHBondContact O-N 2.97Å; E134-M150 HydrophobicContact CB-CE 4.35Å; E134-M150 VanDerWaalsContact CD-CE 3.4Å; E134-M150 HydrophobicContact CG-CE 3.76Å; E134-F221 HydrophobicContact CB-CE2 4.41Å
135C98.1Very high97.9Very high3 Ų349 Ų492%0.0225%0.248CC..EExtended strand (participates in β ladder)trans-123.9153.6166.978.30000112.7S121 E122 G123 I125 Y145 G146 F147S121-C135 PolarHBondContact O-SG 2.8Å; E122-C135 WeakPolarHBondContact CA-O 3.39Å; G123-C135 PolarHBondContact N-O 2.93Å; G123-C135 PolarHBondContact O-N 2.81Å; I125-C135 HydrophobicContact CD1-CB 4.33Å; I125-C135 HydrophobicContact CG2-CB 4.33Å; I125-C135 VanDerWaalsContact CG2-SG 3.52Å; C135-Y145 HydrophobicContact CB-CD1 4.39Å; C135-G146 WeakPolarHBondContact CA-O 3.33Å; C135-G146 VanDerWaalsContact CB-O 3.29Å; C135-G146 WeakPolarHBondContact CB-O 3.41Å; C135-F147 HydrophobicContact CB-CD1 3.94Å; C135-F147 HydrophobicContact CB-CE1 4.1Å
136M98.3Very high97.9Very high17 Ų1747.9 Ų47.98%0.08424%0.242CC..EExtended strand (participates in β ladder)trans-129.4140.4175.9-179.2-174.872.300108.8E122 L138 Y145 G146 F209 K217 F221E122-M136 WeakPolarHBondContact OE1-CG 3.38Å; M136-L138 HydrophobicContact CE-CD2 3.62Å; M136-Y145 VanDerWaalsContact O-CA 3.29Å; M136-Y145 WeakPolarHBondContact O-CA 3.35Å; M136-G146 PolarHBondContact N-O 2.94Å; M136-G146 VanDerWaalsContact N-O 3.07Å; M136-G146 PolarHBondContact O-N 3.18Å; M136-F209 HydrophobicContact CE-CE1 4.28Å; M136-K217 HydrophobicContact CE-CB 4.45Å; M136-K217 HydrophobicContact SD-CB 4.04Å; M136-F221 HydrophobicContact CB-CD1 4.18Å; M136-F221 HydrophobicContact CB-CD2 3.61Å; M136-F221 HydrophobicContact CB-CE1 4.2Å; M136-F221 HydrophobicContact CB-CE2 3.62Å; M136-F221 HydrophobicContact CB-CG 3.88Å; M136-F221 HydrophobicContact CB-CZ 3.91Å; M136-F221 HydrophobicContact CE-CB 3.74Å; M136-F221 HydrophobicContact CE-CD1 4.08Å; M136-F221 HydrophobicContact CE-CG 3.95Å; M136-F221 HydrophobicContact CG-CD2 4.41Å; M136-F221 HydrophobicContact CG-CG 4.49Å; M136-F221 HydrophobicContact SD-CB 3.57Å; M136-F221 VanDerWaalsContact SD-CB 3.57Å; M136-F221 HydrophobicContact SD-CD2 4.19Å; M136-F221 HydrophobicContact SD-CG 3.87Å
137L98.3Very high97.9Very high71 Ų7146.6 Ų46.637%0.37224%0.237SC..EExtended strand (participates in β ladder)trans-71.7133.4174.4-173.569.5000109.9E122 D143 Y145E122-L137 HydrophobicContact CG-CB 3.86Å; E122-L137 PolarHBondContact OE1-N 2.76Å; L137-D143 HydrophobicContact CD1-CB 4.31Å; L137-Y145 HydrophobicContact CB-CE1 4.37Å; L137-Y145 HydrophobicContact CD1-CD1 4.36Å; L137-Y145 HydrophobicContact CD1-CE1 3.84Å; L137-Y145 HydrophobicContact CD1-CE2 4.33Å
138L98.1Very high97.9Very high16 Ų1641.2 Ų41.28%0.08421%0.212CC..  trans-102.6168.3-177.5-59.4-177.3000112M136 H140 S144 G146 F209 T212M136-L138 HydrophobicContact CE-CD2 3.62Å; L138-H140 PolarHBondContact O-N 2.92Å; L138-S144 WeakPolarHBondContact CB-O 3.37Å; L138-S144 PolarHBondContact N-O 2.87Å; L138-G146 VanDerWaalsContact CD1-N 3.34Å; L138-F209 HydrophobicContact CD1-CB 4.49Å; L138-F209 HydrophobicContact CD1-CD1 4.11Å; L138-F209 HydrophobicContact CD2-CD1 3.71Å; L138-F209 HydrophobicContact CD2-CE1 3.94Å; L138-T212 HydrophobicContact CD1-CG2 4.16Å
139D97.5Very high98Very high62 Ų6238.6 Ų38.633%0.33220%0.198SC..  trans-94.685.5175.1-179.63.6000109.3T212 R213 T215D139-T212 PolarHBondContact N-OG1 2.77Å; D139-R213 HydrophobicContact CB-CB 4.2Å; D139-R213 PolarHBondContact O-N 2.78Å; D139-R213 IonicContact OD1-NH1 3.18Å; D139-R213 PolarHBondContact OD1-NH1 2.85Å; D139-R213 VanDerWaalsContact OD2-CD 3.32Å; D139-R213 WeakPolarHBondContact OD2-CD 3.36Å; D139-R213 IonicContact OD2-NH1 3.62Å; D139-T215 HydrophobicContact CB-CG2 3.83Å
140H97.8Very high98.1Very high18 Ų1830.6 Ų30.68%0.08317%0.165CC..SBendtrans-125.6168.6176-163.353.6000112.4H63 H65 L138 I142 S144 D211 F246 H247H63-H140 AromaticContact CD2-CD2 3.63Å; H63-H140 AromaticContact CD2-NE2 3.73Å; H63-H140 AromaticContact NE2-CD2 3.93Å; H63-H140 AromaticContact NE2-NE2 3.63Å; H65-H140 AromaticContact CE1-CD2 3.92Å; H65-H140 AromaticContact CE1-NE2 3.05Å; H65-H140 PolarHBondContact CE1-NE2 3.33Å; H65-H140 AromaticContact ND1-NE2 3.26Å; H65-H140 PolarHBondContact ND1-NE2 2.8Å; L138-H140 PolarHBondContact O-N 2.92Å; H140-I142 CarbonylContact C-O 3.43Å; H140-I142 WeakPolarHBondContact CB-O 3.25Å; H140-I142 PolarHBondContact O-N 3.22Å; H140-S144 VanDerWaalsContact CB-CB 3.46Å; H140-D211 WeakPolarHBondContact CB-O 3.49Å; H140-F246 PolarHBondContact ND1-O 2.92Å; H140-H247 AromaticContact CE1-CE1 3.89Å
141G95.4Very high98.2Very high46 Ų4627.4 Ų27.447%0.47415%0.15SC..SBendtrans-65.5-19.2-177.500000114.1
142I97.4Very high98.1Very high68 Ų6829.3 Ų29.335%0.34917%0.166SC..SBendtrans-132.1173.7168.862.5171.3000108.2H63 L64 H140 S144H63-I142 HydrophobicContact CB-CD1 4.07Å; H63-I142 HydrophobicContact CB-CG1 4.18Å; L64-I142 HydrophobicContact CB-CD1 4.19Å; H140-I142 CarbonylContact C-O 3.43Å; H140-I142 WeakPolarHBondContact CB-O 3.25Å; H140-I142 PolarHBondContact O-N 3.22Å; I142-S144 PolarHBondContact O-N 3.33Å; I142-S144 VanDerWaalsContact O-N 3.1Å
143D97.6Very high97.9Very high90 Ų9032.6 Ų32.648%0.48118%0.183SC..  trans-54.7120.8172.4-67.3-20.7000110.3H63 L137 Y145H63-D143 WeakPolarHBondContact CB-O 3.32Å; L137-D143 HydrophobicContact CD1-CB 4.31Å; D143-Y145 HydrophobicContact CB-CE2 4.1Å
144S98.4Very high97.5Very high0 Ų036.2 Ų36.20%020%0.199CC..  trans-132.9144.9177.4179.70000109.4S62 L138 H140 I142 D211S62-S144 CarbonylContact O-C 3.55Å; S62-S144 WeakPolarHBondContact O-CA 3.29Å; L138-S144 WeakPolarHBondContact CB-O 3.37Å; L138-S144 PolarHBondContact N-O 2.87Å; H140-S144 VanDerWaalsContact CB-CB 3.46Å; I142-S144 PolarHBondContact O-N 3.33Å; I142-S144 VanDerWaalsContact O-N 3.1Å; S144-D211 WeakPolarHBondContact CB-O 3.37Å; S144-D211 PolarHBondContact OG-O 2.71Å
145Y98.7Very high96.9Very high20 Ų2040.5 Ų40.58%0.07822%0.219CC..EExtended strand (participates in β ladder)trans-126.9141.3-174.8-62.7-93.6000111.8S62 P93 L120 C135 M136 L137 D143 G210S62-Y145 WeakPolarHBondContact CB-O 3.31Å; S62-Y145 WeakPolarHBondContact O-CD2 3.38Å; S62-Y145 PolarHBondContact O-N 3.09Å; P93-Y145 HydrophobicContact CB-CE2 4.07Å; P93-Y145 HydrophobicContact CG-CD2 4.07Å; P93-Y145 HydrophobicContact CG-CE2 3.94Å; L120-Y145 HydrophobicContact CB-CD1 4.21Å; L120-Y145 HydrophobicContact CB-CD2 4.18Å; L120-Y145 HydrophobicContact CB-CE1 3.99Å; L120-Y145 HydrophobicContact CB-CE2 3.98Å; L120-Y145 HydrophobicContact CB-CG 4.29Å; L120-Y145 HydrophobicContact CD1-CD1 4.36Å; L120-Y145 HydrophobicContact CD1-CD2 3.57Å; L120-Y145 HydrophobicContact CD1-CE2 4.14Å; L120-Y145 HydrophobicContact CD1-CG 3.7Å; L120-Y145 PolarHBondContact O-OH 3.25Å; C135-Y145 HydrophobicContact CB-CD1 4.39Å; M136-Y145 VanDerWaalsContact O-CA 3.29Å; M136-Y145 WeakPolarHBondContact O-CA 3.35Å; L137-Y145 HydrophobicContact CB-CE1 4.37Å; L137-Y145 HydrophobicContact CD1-CD1 4.36Å; L137-Y145 HydrophobicContact CD1-CE1 3.84Å; L137-Y145 HydrophobicContact CD1-CE2 4.33Å; D143-Y145 HydrophobicContact CB-CE2 4.1Å; Y145-G210 PolarHBondContact O-N 3.42Å
146G98.7Very high96.3Very high0 Ų040.5 Ų40.50%022%0.22CC..EExtended strand (participates in β ladder)trans-94.4148.4163.500000109.4C135 M136 L138 I208 F221C135-G146 WeakPolarHBondContact CA-O 3.33Å; C135-G146 VanDerWaalsContact CB-O 3.29Å; C135-G146 WeakPolarHBondContact CB-O 3.41Å; M136-G146 PolarHBondContact N-O 2.94Å; M136-G146 VanDerWaalsContact N-O 3.07Å; M136-G146 PolarHBondContact O-N 3.18Å; L138-G146 VanDerWaalsContact CD1-N 3.34Å; G146-I208 CarbonylContact C-O 3.58Å; G146-I208 WeakPolarHBondContact CA-O 3.23Å; G146-F221 WeakPolarHBondContact O-CZ 3.25Å
147F98.9Very high95.8Very high2 Ų246.9 Ų46.91%0.00925%0.251CS..EExtended strand (participates in β ladder)trans-118.1131.6179-56.1-76.8000110.5F36 F60 I61 L120 I125 E134 C135 T207 I208F36-F147 HydrophobicContact CD1-CB 4.18Å; F36-F147 AromaticContact CD1-CD2 3.7Å; F36-F147 HydrophobicContact CD1-CD2 3.7Å; F36-F147 HydrophobicContact CD1-CE2 4.38Å; F36-F147 HydrophobicContact CD1-CG 4.06Å; F36-F147 HydrophobicContact CE1-CB 3.67Å; F36-F147 AromaticContact CE1-CD2 3.99Å; F36-F147 HydrophobicContact CE1-CD2 3.99Å; F36-F147 AromaticContact CE1-CG 3.85Å; F36-F147 HydrophobicContact CE1-CG 3.85Å; F60-F147 HydrophobicContact CB-CD1 4.3Å; F60-F147 HydrophobicContact CB-CD2 4.32Å; F60-F147 HydrophobicContact CB-CE1 4.04Å; F60-F147 HydrophobicContact CB-CE2 4.05Å; F60-F147 HydrophobicContact CB-CG 4.44Å; F60-F147 HydrophobicContact CB-CZ 3.91Å; F60-F147 HydrophobicContact CD1-CD1 4.18Å; F60-F147 HydrophobicContact CD1-CE1 4.18Å; I61-F147 WeakPolarHBondContact O-CZ 3.31Å; L120-F147 HydrophobicContact CD1-CE1 3.78Å; L120-F147 HydrophobicContact CD1-CZ 3.78Å; L120-F147 HydrophobicContact CD2-CE1 4.01Å; I125-F147 HydrophobicContact CD1-CD1 3.95Å; I125-F147 HydrophobicContact CD1-CE1 3.99Å; E134-F147 CarbonylContact O-C 3.6Å; E134-F147 WeakPolarHBondContact O-CA 3.39Å; C135-F147 HydrophobicContact CB-CD1 3.94Å; C135-F147 HydrophobicContact CB-CE1 4.1Å; F147-T207 CarbonylContact O-C 3.55Å; F147-T207 WeakPolarHBondContact O-CA 3.37Å; F147-I208 PolarHBondContact N-O 2.99Å; F147-I208 PolarHBondContact O-N 2.82Å
148R98.8Very high95.5Very high27 Ų2744.8 Ų44.810%0.10224%0.24CC..EExtended strand (participates in β ladder)trans-113.5107.5173.1-175.4-175.5178.989.32.4108.2V133 E134 M150 I205 F221 A222 K223 S225V133-R148 WeakPolarHBondContact CA-O 3.47Å; E134-R148 HydrophobicContact CB-CB 4.43Å; E134-R148 PolarHBondContact N-O 2.76Å; E134-R148 PolarHBondContact O-N 2.97Å; R148-M150 HydrophobicContact CG-CG 4Å; R148-M150 HydrophobicContact CG-SD 4.26Å; R148-M150 PolarHBondContact NE-SD 2.85Å; R148-I205 HydrophobicContact CG-CG2 4.14Å; R148-F221 HydrophobicContact CB-CE1 4.03Å; R148-F221 HydrophobicContact CB-CE2 3.84Å; R148-F221 HydrophobicContact CB-CZ 3.52Å; R148-F221 WeakPolarHBondContact CD-O 3.22Å; R148-F221 PolarHBondContact NH1-O 2.93Å; R148-A222 VanDerWaalsContact NH1-C 3.27Å; R148-K223 VanDerWaalsContact CZ-O 3.24Å; R148-K223 PolarHBondContact NH1-O 2.91Å; R148-K223 PolarHBondContact NH2-O 3.03Å; R148-S225 PolarHBondContact NH1-OG 3.03Å
149V98.8Very high95.3Very high0 Ų046.9 Ų46.90%025%0.251CS..EExtended strand (participates in β ladder)trans-95114.7178-1770000108.5L24 W34 F36 F131 V133 I205 V206L24-V149 HydrophobicContact CD2-CB 4.37Å; L24-V149 HydrophobicContact CD2-CG1 3.9Å; L24-V149 HydrophobicContact CD2-CG2 4.24Å; W34-V149 HydrophobicContact CE3-CG1 4.28Å; W34-V149 HydrophobicContact CZ3-CG1 3.72Å; W34-V149 HydrophobicContact CZ3-CG2 4.47Å; F36-V149 HydrophobicContact CE1-CG2 4.18Å; F36-V149 HydrophobicContact CE2-CG2 4.43Å; F36-V149 HydrophobicContact CZ-CG2 3.55Å; F131-V149 HydrophobicContact CD1-CG1 3.87Å; F131-V149 HydrophobicContact CE1-CG1 4.25Å; V133-V149 HydrophobicContact CG1-CG2 4.38Å; V133-V149 HydrophobicContact CG2-CG1 4.38Å; V133-V149 HydrophobicContact CG2-CG2 4.23Å; V149-I205 WeakPolarHBondContact O-CA 3.36Å; V149-V206 HydrophobicContact CB-CB 4.49Å; V149-V206 PolarHBondContact N-O 2.81Å; V149-V206 PolarHBondContact O-N 3.44Å
150M98.6Very high95Very high35 Ų3547 Ų4717%0.17225%0.254CS..EExtended strand (participates in β ladder)trans-115.7119.2-179.1-61.8171.6-75.200109.1F131 T132 E134 R148 I205F131-M150 CarbonylContact C-O 3.2Å; F131-M150 VanDerWaalsContact CA-O 3.25Å; F131-M150 WeakPolarHBondContact CA-O 3.41Å; T132-M150 HydrophobicContact CG2-CE 3.84Å; T132-M150 PolarHBondContact N-O 2.64Å; T132-M150 PolarHBondContact O-N 2.78Å; E134-M150 HydrophobicContact CB-CE 4.35Å; E134-M150 VanDerWaalsContact CD-CE 3.4Å; E134-M150 HydrophobicContact CG-CE 3.76Å; R148-M150 HydrophobicContact CG-CG 4Å; R148-M150 HydrophobicContact CG-SD 4.26Å; R148-M150 PolarHBondContact NE-SD 2.85Å; M150-I205 HydrophobicContact CG-CD1 4.45Å; M150-I205 HydrophobicContact CG-CG1 4.21Å; M150-I205 HydrophobicContact CG-CG2 4.1Å
151E98.4Very high94.8Very high15 Ų1554.5 Ų54.57%0.0729%0.289CS..EExtended strand (participates in β ladder)trans-73.9145166.6-166.4179.4-162.300109.8M1 Q130 F131 H154 G203 R204 F306M1-E151 HydrophobicContact CE-CB 4.28Å; Q130-E151 CarbonylContact O-C 3.56Å; Q130-E151 WeakPolarHBondContact O-CA 3.45Å; F131-E151 HydrophobicContact CD1-CB 4.09Å; F131-E151 HydrophobicContact CD1-CG 4.47Å; F131-E151 HydrophobicContact CE1-CB 3.59Å; F131-E151 HydrophobicContact CE1-CG 3.81Å; F131-E151 HydrophobicContact CE2-CG 4.48Å; F131-E151 HydrophobicContact CZ-CB 4.14Å; F131-E151 HydrophobicContact CZ-CG 3.82Å; E151-H154 VanDerWaalsContact CD-NE2 3.29Å; E151-H154 IonicContact OE1-CE1 2.88Å; E151-H154 IonicContact OE1-NE2 3.86Å; E151-H154 PolarHBondContact OE1-NE2 3.21Å; E151-H154 IonicContact OE2-NE2 2.85Å; E151-G203 WeakPolarHBondContact O-CA 3.48Å; E151-R204 WeakPolarHBondContact CB-O 3.36Å; E151-R204 VanDerWaalsContact CD-NH2 3.26Å; E151-R204 PolarHBondContact N-O 3.49Å; E151-R204 IonicContact OE1-CZ 3.87Å; E151-R204 IonicContact OE1-NH2 2.94Å; E151-R204 PolarHBondContact OE1-NH2 3.41Å; E151-R204 IonicContact OE2-CZ 3.24Å; E151-R204 VanDerWaalsContact OE2-CZ 3.24Å; E151-R204 PolarHBondContact OE2-N 2.8Å; E151-R204 IonicContact OE2-NE 3.96Å; E151-R204 PolarHBondContact OE2-NE 3.3Å; E151-R204 IonicContact OE2-NH2 2.75Å; E151-R204 PolarHBondContact OE2-NH2 2.89Å; E151-F306 WeakPolarHBondContact OE2-CE1 3.48Å
152A96.6Very high94.7Very high42 Ų4257.8 Ų57.835%0.34729%0.291SS..PPolyproline II helixtrans-68.4150.7171.700000110.6K129 Q130 H154K129-A152 WeakPolarHBondContact O-CB 3.5Å; Q130-A152 PolarHBondContact O-N 3.38Å; A152-H154 PolarHBondContact O-CD2 3.25Å; A152-H154 VanDerWaalsContact O-CD2 3.31Å
153D94.8Very high94.5Very high95 Ų9554.6 Ų54.651%0.50827%0.274SS..PPolyproline II helixtrans-61.6143176.4-61.3-25.9000111.3K201 M202 G203D153-K201 WeakPolarHBondContact CA-O 3.46Å; D153-M202 WeakPolarHBondContact OD1-CA 3.47Å; D153-M202 VanDerWaalsContact OD1-CE 3.31Å; D153-M202 WeakPolarHBondContact OD1-CE 3.49Å; D153-G203 PolarHBondContact OD1-N 2.79Å
154H90.5Very high94.3Very high76 Ų7654.7 Ų54.735%0.35228%0.278SS..BIsolated β-bridgetrans-94.3114.9178.3-71.6-111.8000108.9E151 A152 S200 K201 F306E151-H154 VanDerWaalsContact CD-NE2 3.29Å; E151-H154 IonicContact OE1-CE1 2.88Å; E151-H154 IonicContact OE1-NE2 3.86Å; E151-H154 PolarHBondContact OE1-NE2 3.21Å; E151-H154 IonicContact OE2-NE2 2.85Å; A152-H154 PolarHBondContact O-CD2 3.25Å; A152-H154 VanDerWaalsContact O-CD2 3.31Å; H154-S200 CarbonylContact O-C 3.48Å; H154-S200 VanDerWaalsContact O-CA 3.23Å; H154-S200 WeakPolarHBondContact O-CA 3.39Å; H154-S200 WeakPolarHBondContact O-CB 3.18Å; H154-K201 HydrophobicContact CB-CB 4.28Å; H154-K201 PolarHBondContact N-O 3.01Å; H154-K201 PolarHBondContact O-N 2.8Å; H154-F306 AromaticContact CD2-CE1 3.46Å; H154-F306 VanDerWaalsContact CD2-CE1 3.46Å; H154-F306 WeakPolarHBondContact CD2-CE1 3.23Å; H154-F306 AromaticContact CD2-CZ 3.62Å; H154-F306 AromaticContact CE1-CZ 3.67Å; H154-F306 AromaticContact NE2-CE1 3.59Å; H154-F306 AromaticContact NE2-CZ 3.32Å; H154-F306 VanDerWaalsContact NE2-CZ 3.32Å; H154-F306 WeakPolarHBondContact NE2-CZ 3.32Å
155E85.6Confident94.1Very high147 Ų14758.8 Ų58.869%0.68731%0.311SS*.PPolyproline II helixtrans-59.3140.2170.8-66.5-178.2171.800110.6M157E155-M157 PolarHBondContact O-N 3.37Å
156G86.1Confident93.8Very high3 Ų361.6 Ų61.63%0.03133%0.327CS..PPolyproline II helixtrans-49.4139.6174.600000113.2V197 G198 S200G156-V197 WeakPolarHBondContact O-CG1 3.21Å; G156-G198 VanDerWaalsContact CA-O 3.28Å; G156-G198 WeakPolarHBondContact CA-O 3.35Å; G156-S200 PolarHBondContact N-OG 2.82Å
157M87.8Confident93.4Very high151 Ų15164.1 Ų64.174%0.74435%0.353SS*.PPolyproline II helixtrans-74.1146.1175.5-72.3-165-83.800110.9E155 L159 G198E155-M157 PolarHBondContact O-N 3.37Å; M157-L159 PolarHBondContact O-N 3.45Å; M157-G198 PolarHBondContact O-N 3.23Å
158L91.6Very high93.1Very high28 Ų2864.1 Ų64.115%0.14735%0.354CS..BIsolated β-bridgetrans-65.5125171.8-170.771.6000109.3V160 L163 Y174 L177 K178 F196L158-V160 HydrophobicContact CB-CG2 4.43Å; L158-V160 HydrophobicContact CD2-CG2 4.09Å; L158-V160 HydrophobicContact CG-CG2 4.28Å; L158-V160 PolarHBondContact O-N 3.45Å; L158-L163 HydrophobicContact CD1-CD1 3.86Å; L158-L163 HydrophobicContact CD2-CD1 3.66Å; L158-L163 HydrophobicContact CG-CD1 3.71Å; L158-Y174 HydrophobicContact CD2-CD2 3.61Å; L158-Y174 HydrophobicContact CD2-CE2 4.49Å; L158-Y174 HydrophobicContact CD2-CG 3.73Å; L158-L177 HydrophobicContact CD1-CB 4.01Å; L158-K178 HydrophobicContact CB-CB 4.3Å; L158-K178 HydrophobicContact CB-CG 4.34Å; L158-K178 HydrophobicContact CD1-CB 4.07Å; L158-F196 CarbonylContact C-O 3.55Å; L158-F196 WeakPolarHBondContact CA-O 3.32Å; L158-F196 HydrophobicContact CD1-CB 4.3Å
159L92.6Very high92.5Very high60 Ų6066.9 Ų66.931%0.31438%0.375SS..  trans-77.668.9177.6-58.6178.5000109.9M157 E161 K162 L163 F196M157-L159 PolarHBondContact O-N 3.45Å; L159-E161 PolarHBondContact O-N 2.89Å; L159-K162 HydrophobicContact CB-CB 4.31Å; L159-K162 HydrophobicContact CB-CD 4.18Å; L159-K162 HydrophobicContact CB-CG 4.27Å; L159-K162 HydrophobicContact CD1-CD 3.85Å; L159-K162 WeakPolarHBondContact O-CB 3.48Å; L159-K162 PolarHBondContact O-N 2.93Å; L159-L163 PolarHBondContact O-N 2.92Å; L159-F196 WeakPolarHBondContact CB-O 3.46Å; L159-F196 PolarHBondContact N-O 2.87Å
160V92.4Very high92.1Very high65 Ų6570.9 Ų70.939%0.39441%0.408SS..Hα-helixtrans-53.9-39.5-175171.40000112L158 K162 L163 V164 Y174L158-V160 HydrophobicContact CB-CG2 4.43Å; L158-V160 HydrophobicContact CD2-CG2 4.09Å; L158-V160 HydrophobicContact CG-CG2 4.28Å; L158-V160 PolarHBondContact O-N 3.45Å; V160-K162 VanDerWaalsContact C-N 3.3Å; V160-K162 PolarHBondContact O-N 3.19Å; V160-L163 WeakPolarHBondContact O-CB 3.24Å; V160-L163 PolarHBondContact O-N 3.34Å; V160-V164 HydrophobicContact CG1-CG2 4.06Å; V160-V164 WeakPolarHBondContact O-CG2 3.33Å; V160-V164 PolarHBondContact O-N 2.84Å; V160-Y174 HydrophobicContact CG1-CE2 3.95Å; V160-Y174 HydrophobicContact CG2-CD2 4.28Å; V160-Y174 HydrophobicContact CG2-CE2 4.13Å
161E93.6Very high91.7Very high174 Ų17471 Ų7181%0.81342%0.418SS*.Hα-helixtrans-59.5-39.7179.2-65.2172.5-176.900112.4L159 V164 A165L159-E161 PolarHBondContact O-N 2.89Å; E161-V164 PolarHBondContact O-N 3.46Å; E161-A165 WeakPolarHBondContact O-CB 3.49Å; E161-A165 PolarHBondContact O-N 3.35Å
162K93.1Very high91.4Very high116 Ų11676.1 Ų76.150%0.50445%0.453SS..Hα-helixtrans-66.5-37.9174.6-70.7-171.9178.2178.10111.8L159 V160 A165 L166 F196L159-K162 HydrophobicContact CB-CB 4.31Å; L159-K162 HydrophobicContact CB-CD 4.18Å; L159-K162 HydrophobicContact CB-CG 4.27Å; L159-K162 HydrophobicContact CD1-CD 3.85Å; L159-K162 WeakPolarHBondContact O-CB 3.48Å; L159-K162 PolarHBondContact O-N 2.93Å; V160-K162 VanDerWaalsContact C-N 3.3Å; V160-K162 PolarHBondContact O-N 3.19Å; K162-A165 PolarHBondContact O-N 3.09Å; K162-L166 WeakPolarHBondContact O-CG 3.42Å; K162-L166 PolarHBondContact O-N 2.88Å; K162-F196 HydrophobicContact CB-CD1 3.85Å; K162-F196 HydrophobicContact CB-CE1 4.03Å
163L93.2Very high91.1Very high0 Ų075.9 Ų75.90%045%0.445CS..Hα-helixtrans-66.1-44177.1-64.3175.2000111.5L158 L159 V160 L166 G167 I168 Y174 L177 F196L158-L163 HydrophobicContact CD1-CD1 3.86Å; L158-L163 HydrophobicContact CD2-CD1 3.66Å; L158-L163 HydrophobicContact CG-CD1 3.71Å; L159-L163 PolarHBondContact O-N 2.92Å; V160-L163 WeakPolarHBondContact O-CB 3.24Å; V160-L163 PolarHBondContact O-N 3.34Å; L163-L166 PolarHBondContact O-N 3.06Å; L163-G167 PolarHBondContact O-N 2.88Å; L163-I168 HydrophobicContact CB-CB 4.31Å; L163-I168 HydrophobicContact CD2-CD1 3.66Å; L163-I168 WeakPolarHBondContact O-CB 3.26Å; L163-I168 PolarHBondContact O-N 3.34Å; L163-Y174 HydrophobicContact CB-CE1 4.18Å; L163-Y174 HydrophobicContact CD1-CD1 3.98Å; L163-Y174 HydrophobicContact CD1-CD2 4.15Å; L163-Y174 HydrophobicContact CD1-CE1 3.84Å; L163-Y174 HydrophobicContact CD1-CE2 4.02Å; L163-Y174 HydrophobicContact CD1-CG 4.14Å; L163-L177 HydrophobicContact CD1-CD1 4.19Å; L163-L177 HydrophobicContact CD2-CD1 3.77Å; L163-F196 HydrophobicContact CD2-CB 3.88Å; L163-F196 HydrophobicContact CD2-CD1 3.38Å; L163-F196 HydrophobicContact CD2-CD2 3.98Å; L163-F196 HydrophobicContact CD2-CE1 3.89Å; L163-F196 HydrophobicContact CD2-CE2 4.45Å; L163-F196 HydrophobicContact CD2-CG 3.43Å; L163-F196 VanDerWaalsContact CD2-CG 3.43Å; L163-F196 HydrophobicContact CD2-CZ 4.4Å; L163-F196 HydrophobicContact CG-CB 4.27Å; L163-F196 HydrophobicContact CG-CD1 3.92Å; L163-F196 HydrophobicContact CG-CG 4.18Å
164V93.3Very high91.1Very high92 Ų9272.7 Ų72.756%0.55843%0.426SS*.Hα-helixtrans-63.4-42.4176.41730000110.7V160 E161 L166 G167V160-V164 HydrophobicContact CG1-CG2 4.06Å; V160-V164 WeakPolarHBondContact O-CG2 3.33Å; V160-V164 PolarHBondContact O-N 2.84Å; E161-V164 PolarHBondContact O-N 3.46Å; V164-L166 PolarHBondContact O-N 2.89Å; V164-G167 WeakPolarHBondContact O-CA 3.28Å; V164-G167 PolarHBondContact O-N 3.39Å
165A93.8Very high91Very high86 Ų8670.9 Ų70.971%0.71143%0.428SS*.Hα-helixtrans-61.7-29176.600000113.3E161 K162 G167E161-A165 WeakPolarHBondContact O-CB 3.49Å; E161-A165 PolarHBondContact O-N 3.35Å; K162-A165 PolarHBondContact O-N 3.09Å; A165-G167 VanDerWaalsContact C-N 3.28Å
166L91.7Very high91.4Very high79 Ų7969 Ų6941%0.41442%0.418SS..THydrogen-bonded Turntrans-85.93.6173.1-68.4174.9000113.3K162 L163 V164 I168 R189 F196K162-L166 WeakPolarHBondContact O-CG 3.42Å; K162-L166 PolarHBondContact O-N 2.88Å; L163-L166 PolarHBondContact O-N 3.06Å; V164-L166 PolarHBondContact O-N 2.89Å; L166-I168 VanDerWaalsContact C-N 3.28Å; L166-I168 HydrophobicContact CB-CD1 4.08Å; L166-I168 HydrophobicContact CB-CG1 3.97Å; L166-I168 HydrophobicContact CD1-CD1 4.32Å; L166-I168 PolarHBondContact O-N 3.21Å; L166-R189 PolarHBondContact O-NH1 2.91Å; L166-R189 PolarHBondContact O-NH2 3.45Å; L166-F196 HydrophobicContact CD1-CE1 3.45Å; L166-F196 VanDerWaalsContact CD1-CE1 3.45Å; L166-F196 HydrophobicContact CD1-CZ 3.38Å
167G92.2Very high91.7Very high53 Ų5368.8 Ų68.855%0.54642%0.416SS..THydrogen-bonded Turntrans6629.1-17800000113.2L163 V164 A165 P169L163-G167 PolarHBondContact O-N 2.88Å; V164-G167 WeakPolarHBondContact O-CA 3.28Å; V164-G167 PolarHBondContact O-N 3.39Å; A165-G167 VanDerWaalsContact C-N 3.28Å; G167-P169 WeakPolarHBondContact O-CD 3.14Å
168I91Very high91.8Very high3 Ų366.2 Ų66.22%0.01540%0.401CS..  trans-84.6115.8177.1-55.6177.1000108.3L163 L166 I173 Y174 L177 L185 I191L163-I168 HydrophobicContact CB-CB 4.31Å; L163-I168 HydrophobicContact CD2-CD1 3.66Å; L163-I168 WeakPolarHBondContact O-CB 3.26Å; L163-I168 PolarHBondContact O-N 3.34Å; L166-I168 VanDerWaalsContact C-N 3.28Å; L166-I168 HydrophobicContact CB-CD1 4.08Å; L166-I168 HydrophobicContact CB-CG1 3.97Å; L166-I168 HydrophobicContact CD1-CD1 4.32Å; L166-I168 PolarHBondContact O-N 3.21Å; I168-I173 HydrophobicContact CG2-CG2 4.41Å; I168-Y174 HydrophobicContact CG2-CE1 4.04Å; I168-Y174 PolarHBondContact O-OH 2.92Å; I168-L177 HydrophobicContact CG2-CD1 4.47Å; I168-L185 HydrophobicContact CD1-CD1 4.39Å; I168-L185 HydrophobicContact CG1-CD1 3.92Å; I168-L185 HydrophobicContact CG2-CD1 4.47Å; I168-L185 HydrophobicContact CG2-CD2 3.99Å; I168-I191 HydrophobicContact CD1-CD1 3.94Å; I168-I191 HydrophobicContact CD1-CG1 3.88Å; I168-I191 HydrophobicContact CD1-CG2 3.99Å
169P87.1Confident91.7Very high85 Ų8571.5 Ų71.555%0.55243%0.425SS*.  trans-66.6140.2-174.826.8-33.8000111.4G167 Y174G167-P169 WeakPolarHBondContact O-CD 3.14Å; P169-Y174 WeakPolarHBondContact O-CE1 3.32Å
170A90.4Very high91.6Very high83 Ų8369.5 Ų69.569%0.68642%0.419SS*.SBendtrans-62.3143.6173.300000110.9Y174A170-Y174 HydrophobicContact CB-CE2 4.13Å
171G90.8Very high91.6Very high38 Ų3870.3 Ų70.339%0.39242%0.418SS..SBendtrans154.8-161.3179.100000113.3I173 Y174G171-I173 PolarHBondContact O-N 3.4Å; G171-Y174 WeakPolarHBondContact O-CB 3.23Å; G171-Y174 PolarHBondContact O-N 3.13Å
172P90.9Very high91.7Very high122 Ų12269.4 Ų69.479%0.79241%0.411SS*.Hα-helixtrans-55.1-25.9-177.9-26.734.7000114.3Y174 G175 K176P172-Y174 VanDerWaalsContact C-N 3.25Å; P172-Y174 PolarHBondContact O-N 3.35Å; P172-G175 PolarHBondContact O-N 3.08Å; P172-K176 PolarHBondContact O-N 2.81Å
173I91.2Very high91.7Very high37 Ų3764.6 Ų64.619%0.1939%0.392CS..Hα-helixtrans-64-29.4177.8-162.4160.9000113I168 G171 G175 K176 L177 V183 L185I168-I173 HydrophobicContact CG2-CG2 4.41Å; G171-I173 PolarHBondContact O-N 3.4Å; I173-G175 VanDerWaalsContact C-N 3.29Å; I173-G175 PolarHBondContact O-N 3.36Å; I173-K176 PolarHBondContact O-N 3.29Å; I173-L177 HydrophobicContact CG1-CD1 4.29Å; I173-L177 HydrophobicContact CG1-CG 4.48Å; I173-L177 WeakPolarHBondContact O-CG 3.49Å; I173-L177 PolarHBondContact O-N 2.85Å; I173-V183 HydrophobicContact CD1-CB 4.01Å; I173-V183 HydrophobicContact CD1-CG2 3.91Å; I173-V183 HydrophobicContact CG1-CB 4.09Å; I173-V183 HydrophobicContact CG1-CG1 4.22Å; I173-V183 HydrophobicContact CG1-CG2 3.79Å; I173-L185 HydrophobicContact CD1-CD2 3.3Å
174Y93.3Very high91.7Very high28 Ų2868.8 Ų68.811%0.1142%0.417CS..Hα-helixtrans-65.1-35.6176.4-81.228.7000111.3L158 V160 L163 I168 P169 A170 G171 P172 L177 K178L158-Y174 HydrophobicContact CD2-CD2 3.61Å; L158-Y174 HydrophobicContact CD2-CE2 4.49Å; L158-Y174 HydrophobicContact CD2-CG 3.73Å; V160-Y174 HydrophobicContact CG1-CE2 3.95Å; V160-Y174 HydrophobicContact CG2-CD2 4.28Å; V160-Y174 HydrophobicContact CG2-CE2 4.13Å; L163-Y174 HydrophobicContact CB-CE1 4.18Å; L163-Y174 HydrophobicContact CD1-CD1 3.98Å; L163-Y174 HydrophobicContact CD1-CD2 4.15Å; L163-Y174 HydrophobicContact CD1-CE1 3.84Å; L163-Y174 HydrophobicContact CD1-CE2 4.02Å; L163-Y174 HydrophobicContact CD1-CG 4.14Å; I168-Y174 HydrophobicContact CG2-CE1 4.04Å; I168-Y174 PolarHBondContact O-OH 2.92Å; P169-Y174 WeakPolarHBondContact O-CE1 3.32Å; A170-Y174 HydrophobicContact CB-CE2 4.13Å; G171-Y174 WeakPolarHBondContact O-CB 3.23Å; G171-Y174 PolarHBondContact O-N 3.13Å; P172-Y174 VanDerWaalsContact C-N 3.25Å; P172-Y174 PolarHBondContact O-N 3.35Å; Y174-L177 PolarHBondContact O-N 2.91Å; Y174-K178 VanDerWaalsContact O-CB 3.31Å; Y174-K178 WeakPolarHBondContact O-CB 3.39Å; Y174-K178 PolarHBondContact O-N 3.08Å
175G90.1Very high91.5Very high38 Ų3865.2 Ų65.239%0.39240%0.395SS..Hα-helixtrans-63.6-42.5174.300000112.1P172 I173 K178 Q179P172-G175 PolarHBondContact O-N 3.08Å; I173-G175 VanDerWaalsContact C-N 3.29Å; I173-G175 PolarHBondContact O-N 3.36Å; G175-K178 PolarHBondContact O-N 3.27Å; G175-Q179 WeakPolarHBondContact O-CG 3.34Å; G175-Q179 PolarHBondContact O-N 2.89Å; G175-Q179 VanDerWaalsContact O-N 3.15Å
176K92.5Very high91.3Very high107 Ų10767.3 Ų67.347%0.46541%0.405SS..Hα-helixtrans-64.5-44.5175.5-63.7-174.3179.2-176.30111.8P172 I173 Q179 Q181 V183P172-K176 PolarHBondContact O-N 2.81Å; I173-K176 PolarHBondContact O-N 3.29Å; K176-Q179 PolarHBondContact O-N 3.01Å; K176-Q181 HydrophobicContact CB-CB 4.36Å; K176-Q181 VanDerWaalsContact O-CB 3.3Å; K176-Q181 WeakPolarHBondContact O-CB 3.36Å; K176-Q181 WeakPolarHBondContact O-CG 3.46Å; K176-Q181 PolarHBondContact O-N 3.39Å; K176-V183 HydrophobicContact CB-CG1 3.76Å; K176-V183 HydrophobicContact CD-CG1 3.69Å; K176-V183 HydrophobicContact CG-CG1 4.4Å
177L92.8Very high91.2Very high0 Ų067.9 Ų67.90%041%0.408CS..Hα-helixtrans-63.2-40.9176.6-70.7167.3000111.6L158 L163 I168 I173 Y174 Q179 G180 V183 I191 G193 V197L158-L177 HydrophobicContact CD1-CB 4.01Å; L163-L177 HydrophobicContact CD1-CD1 4.19Å; L163-L177 HydrophobicContact CD2-CD1 3.77Å; I168-L177 HydrophobicContact CG2-CD1 4.47Å; I173-L177 HydrophobicContact CG1-CD1 4.29Å; I173-L177 HydrophobicContact CG1-CG 4.48Å; I173-L177 WeakPolarHBondContact O-CG 3.49Å; I173-L177 PolarHBondContact O-N 2.85Å; Y174-L177 PolarHBondContact O-N 2.91Å; L177-Q179 PolarHBondContact O-N 3.13Å; L177-G180 WeakPolarHBondContact O-CA 3.49Å; L177-G180 PolarHBondContact O-N 3.28Å; L177-V183 HydrophobicContact CD1-CG2 4.36Å; L177-V183 HydrophobicContact CD2-CG2 3.31Å; L177-V183 HydrophobicContact CG-CG2 3.7Å; L177-I191 HydrophobicContact CD2-CB 4.12Å; L177-I191 HydrophobicContact CD2-CG2 3.56Å; L177-G193 CarbonylContact O-C 3.52Å; L177-G193 VanDerWaalsContact O-CA 3.23Å; L177-G193 WeakPolarHBondContact O-CA 3.46Å; L177-V197 WeakPolarHBondContact O-CG2 3.43Å
178K90.3Very high91.1Very high97 Ų9767.9 Ų67.942%0.42241%0.408SS..Hα-helixtrans-61.2-33.3175.9-173.9176.4176.7-177.10112.3L158 Y174 G175 G180 V197L158-K178 HydrophobicContact CB-CB 4.3Å; L158-K178 HydrophobicContact CB-CG 4.34Å; L158-K178 HydrophobicContact CD1-CB 4.07Å; Y174-K178 VanDerWaalsContact O-CB 3.31Å; Y174-K178 WeakPolarHBondContact O-CB 3.39Å; Y174-K178 PolarHBondContact O-N 3.08Å; G175-K178 PolarHBondContact O-N 3.27Å; K178-G180 PolarHBondContact O-N 3.39Å; K178-V197 WeakPolarHBondContact O-CG2 3.32Å
179Q89.6Confident91.2Very high139 Ų13972 Ų7265%0.6542%0.423SS*.THydrogen-bonded Turntrans-78.38.8173.6-67.2170.37.900113.1G175 K176 L177 Q181G175-Q179 WeakPolarHBondContact O-CG 3.34Å; G175-Q179 PolarHBondContact O-N 2.89Å; G175-Q179 VanDerWaalsContact O-N 3.15Å; K176-Q179 PolarHBondContact O-N 3.01Å; L177-Q179 PolarHBondContact O-N 3.13Å; Q179-Q181 VanDerWaalsContact C-N 3.25Å; Q179-Q181 HydrophobicContact CB-CG 4.2Å; Q179-Q181 PolarHBondContact O-N 3.47Å
180G89.4Confident91.5Very high18 Ų1875 Ų7519%0.18643%0.43CS..THydrogen-bonded Turntrans72.113.2-179.700000114.6L177 K178L177-G180 WeakPolarHBondContact O-CA 3.49Å; L177-G180 PolarHBondContact O-N 3.28Å; K178-G180 PolarHBondContact O-N 3.39Å
181Q93.1Very high91.7Very high82 Ų8272 Ų7238%0.38340%0.402SS..  trans-74.9147-177.6-59.3-179.49.100111.7K176 Q179 G193K176-Q181 HydrophobicContact CB-CB 4.36Å; K176-Q181 VanDerWaalsContact O-CB 3.3Å; K176-Q181 WeakPolarHBondContact O-CB 3.36Å; K176-Q181 WeakPolarHBondContact O-CG 3.46Å; K176-Q181 PolarHBondContact O-N 3.39Å; Q179-Q181 VanDerWaalsContact C-N 3.25Å; Q179-Q181 HydrophobicContact CB-CG 4.2Å; Q179-Q181 PolarHBondContact O-N 3.47Å; Q181-G193 WeakPolarHBondContact O-CA 3.41Å; Q181-G193 PolarHBondContact O-N 2.89Å
182K95.1Very high91.8Very high155 Ų15572 Ų7267%0.67439%0.393SS*.EExtended strand (participates in β ladder)trans-76.6131.6163.5-72.3-175.5178-174.80110I191 N192K182-I191 CarbonylContact C-O 3.56Å; K182-I191 WeakPolarHBondContact CA-O 3.09Å; K182-N192 HydrophobicContact CG-CB 4.01Å
183V93.2Very high91.8Very high15 Ų1566.1 Ų66.19%0.09136%0.355CS..EExtended strand (participates in β ladder)trans-134.5140.3-180-79.70000110.9I173 K176 L177 I191I173-V183 HydrophobicContact CD1-CB 4.01Å; I173-V183 HydrophobicContact CD1-CG2 3.91Å; I173-V183 HydrophobicContact CG1-CB 4.09Å; I173-V183 HydrophobicContact CG1-CG1 4.22Å; I173-V183 HydrophobicContact CG1-CG2 3.79Å; K176-V183 HydrophobicContact CB-CG1 3.76Å; K176-V183 HydrophobicContact CD-CG1 3.69Å; K176-V183 HydrophobicContact CG-CG1 4.4Å; L177-V183 HydrophobicContact CD1-CG2 4.36Å; L177-V183 HydrophobicContact CD2-CG2 3.31Å; L177-V183 HydrophobicContact CG-CG2 3.7Å; V183-I191 HydrophobicContact CG2-CB 4.31Å; V183-I191 PolarHBondContact N-O 2.99Å; V183-I191 PolarHBondContact O-N 2.91Å
184T93.4Very high91.7Very high88 Ų8871 Ų7154%0.5438%0.377SS..EExtended strand (participates in β ladder)trans-95.1125.3172.3-45.20000109.1R189 E190T184-R189 CarbonylContact C-O 3.57Å; T184-R189 WeakPolarHBondContact CA-O 3.42Å; T184-E190 HydrophobicContact CG2-CG 4.41Å
185L90.6Very high91.7Very high16 Ų1674.5 Ų74.58%0.08440%0.398CS..  trans-75.6163.8176.4-59.5-173.3000111.1I168 I173 D187 G188 R189 I191I168-L185 HydrophobicContact CD1-CD1 4.39Å; I168-L185 HydrophobicContact CG1-CD1 3.92Å; I168-L185 HydrophobicContact CG2-CD1 4.47Å; I168-L185 HydrophobicContact CG2-CD2 3.99Å; I173-L185 HydrophobicContact CD1-CD2 3.3Å; L185-D187 WeakPolarHBondContact CB-OD1 3.47Å; L185-D187 PolarHBondContact O-N 3.14Å; L185-G188 PolarHBondContact O-N 3.02Å; L185-R189 HydrophobicContact CB-CB 4.43Å; L185-R189 HydrophobicContact CD1-CB 4.08Å; L185-R189 HydrophobicContact CG-CB 4.35Å; L185-R189 PolarHBondContact N-O 3.3Å; L185-I191 HydrophobicContact CD1-CD1 4.22Å; L185-I191 HydrophobicContact CD1-CG1 3.82Å; L185-I191 HydrophobicContact CD2-CG1 4.23Å; L185-I191 HydrophobicContact CG-CG1 3.83Å
186S88.1Confident91.8Very high131 Ų13173.5 Ų73.592%0.91638%0.383SS*.THydrogen-bonded Turntrans-62.3-22.6175.453.30000113.7G188S186-G188 VanDerWaalsContact C-N 3.28Å
187D89.5Confident91.6Very high90 Ų9070.1 Ų70.148%0.48137%0.371SS..THydrogen-bonded Turntrans-88.67.3174.663.217.1000113.3L185 R189L185-D187 WeakPolarHBondContact CB-OD1 3.47Å; L185-D187 PolarHBondContact O-N 3.14Å; D187-R189 VanDerWaalsContact C-N 3.35Å; D187-R189 VanDerWaalsContact CG-NE 3.27Å; D187-R189 PolarHBondContact O-N 3.36Å; D187-R189 WeakPolarHBondContact OD1-CB 3.33Å; D187-R189 WeakPolarHBondContact OD1-CG 3.47Å; D187-R189 PolarHBondContact OD1-N 3.05Å; D187-R189 VanDerWaalsContact OD1-N 3.12Å; D187-R189 IonicContact OD1-NE 3.14Å; D187-R189 PolarHBondContact OD1-NE 3.32Å; D187-R189 VanDerWaalsContact OD1-NE 3.14Å; D187-R189 IonicContact OD2-CZ 3.11Å; D187-R189 IonicContact OD2-NE 2.79Å; D187-R189 PolarHBondContact OD2-NE 2.72Å; D187-R189 IonicContact OD2-NH2 2.68Å; D187-R189 PolarHBondContact OD2-NH2 3.16Å
188G91.2Very high91.4Very high53 Ų5371.3 Ų71.355%0.54638%0.383SS..SBendtrans85.4-5.1176.600000115.2L185 S186L185-G188 PolarHBondContact O-N 3.02Å; S186-G188 VanDerWaalsContact C-N 3.28Å
189R92.7Very high91.2Very high89 Ų8975.3 Ų75.334%0.33640%0.403SS..  trans-67.9135.4176.3-66.5-178.7-71.5166.6-3.3111L166 T184 L185 D187 I191L166-R189 PolarHBondContact O-NH1 2.91Å; L166-R189 PolarHBondContact O-NH2 3.45Å; T184-R189 CarbonylContact C-O 3.57Å; T184-R189 WeakPolarHBondContact CA-O 3.42Å; L185-R189 HydrophobicContact CB-CB 4.43Å; L185-R189 HydrophobicContact CD1-CB 4.08Å; L185-R189 HydrophobicContact CG-CB 4.35Å; L185-R189 PolarHBondContact N-O 3.3Å; D187-R189 VanDerWaalsContact C-N 3.35Å; D187-R189 VanDerWaalsContact CG-NE 3.27Å; D187-R189 PolarHBondContact O-N 3.36Å; D187-R189 WeakPolarHBondContact OD1-CB 3.33Å; D187-R189 WeakPolarHBondContact OD1-CG 3.47Å; D187-R189 PolarHBondContact OD1-N 3.05Å; D187-R189 VanDerWaalsContact OD1-N 3.12Å; D187-R189 IonicContact OD1-NE 3.14Å; D187-R189 PolarHBondContact OD1-NE 3.32Å; D187-R189 VanDerWaalsContact OD1-NE 3.14Å; D187-R189 IonicContact OD2-CZ 3.11Å; D187-R189 IonicContact OD2-NE 2.79Å; D187-R189 PolarHBondContact OD2-NE 2.72Å; D187-R189 IonicContact OD2-NH2 2.68Å; D187-R189 PolarHBondContact OD2-NH2 3.16Å; R189-I191 HydrophobicContact CB-CD1 4.32Å
190E94.2Very high91.2Very high150 Ų15072.9 Ų72.970%0.70140%0.401SS*.EExtended strand (participates in β ladder)trans-92.4127.4168-68.4-166.1160.500110.4T184T184-E190 HydrophobicContact CG2-CG 4.41Å
191I93.5Very high91.2Very high18 Ų1877.1 Ų77.19%0.09242%0.415CS..EExtended strand (participates in β ladder)trans-120.2127.2-178.8-52.8-62000108.2I168 L177 K182 V183 L185 R189 F196I168-I191 HydrophobicContact CD1-CD1 3.94Å; I168-I191 HydrophobicContact CD1-CG1 3.88Å; I168-I191 HydrophobicContact CD1-CG2 3.99Å; L177-I191 HydrophobicContact CD2-CB 4.12Å; L177-I191 HydrophobicContact CD2-CG2 3.56Å; K182-I191 CarbonylContact C-O 3.56Å; K182-I191 WeakPolarHBondContact CA-O 3.09Å; V183-I191 HydrophobicContact CG2-CB 4.31Å; V183-I191 PolarHBondContact N-O 2.99Å; V183-I191 PolarHBondContact O-N 2.91Å; L185-I191 HydrophobicContact CD1-CD1 4.22Å; L185-I191 HydrophobicContact CD1-CG1 3.82Å; L185-I191 HydrophobicContact CD2-CG1 4.23Å; L185-I191 HydrophobicContact CG-CG1 3.83Å; R189-I191 HydrophobicContact CB-CD1 4.32Å; I191-F196 HydrophobicContact CG2-CD2 3.77Å; I191-F196 HydrophobicContact CG2-CE2 3.28Å; I191-F196 HydrophobicContact CG2-CZ 4.04Å
192N93.3Very high91.3Very high38 Ų3879.7 Ų79.720%0.20343%0.428CS..EExtended strand (participates in β ladder)trans-91.8115.4173.8-177.310.7000110.2K182 Q194 D195 F196K182-N192 HydrophobicContact CG-CB 4.01Å; N192-Q194 PolarHBondContact O-N 2.96Å; N192-Q194 VanDerWaalsContact O-N 3.14Å; N192-Q194 PolarHBondContact OD1-N 2.79Å; N192-D195 PolarHBondContact O-N 2.94Å; N192-F196 VanDerWaalsContact O-CD2 3.3Å; N192-F196 WeakPolarHBondContact O-CD2 3.27Å
193G90.3Very high91.4Very high0 Ų072.7 Ų72.70%040%0.4CS..G310 helixtrans-53.6-34.1-178.900000114.3L177 Q181 D195 F196 V197L177-G193 CarbonylContact O-C 3.52Å; L177-G193 VanDerWaalsContact O-CA 3.23Å; L177-G193 WeakPolarHBondContact O-CA 3.46Å; Q181-G193 WeakPolarHBondContact O-CA 3.41Å; Q181-G193 PolarHBondContact O-N 2.89Å; G193-D195 PolarHBondContact O-N 3.36Å; G193-D195 VanDerWaalsContact O-N 3.14Å; G193-F196 CarbonylContact O-C 3.45Å; G193-F196 WeakPolarHBondContact O-CA 3.36Å; G193-F196 PolarHBondContact O-N 2.69Å; G193-V197 WeakPolarHBondContact O-CG2 3.34Å; G193-V197 PolarHBondContact O-N 2.69Å
194Q90.3Very high91.6Very high140 Ų14072.5 Ų72.565%0.65440%0.398SS*.G310 helixtrans-58-28.9179.3-65-172.31.300113.3N192 F196N192-Q194 PolarHBondContact O-N 2.96Å; N192-Q194 VanDerWaalsContact O-N 3.14Å; N192-Q194 PolarHBondContact OD1-N 2.79Å; Q194-F196 PolarHBondContact O-N 3.42Å
195D92.2Very high91.9Very high100 Ų10069.8 Ų69.854%0.53538%0.38SS..G310 helixtrans-74.2-10.8179.2-55.8-27000112.5N192 G193N192-D195 PolarHBondContact O-N 2.94Å; G193-D195 PolarHBondContact O-N 3.36Å; G193-D195 VanDerWaalsContact O-N 3.14Å
196F91.9Very high92.3Very high18 Ų1869 Ų698%0.07938%0.376CS..G310 helixtrans-122.19.7-175-56.5-82.7000113L158 L159 K162 L163 L166 I191 N192 G193 Q194L158-F196 CarbonylContact C-O 3.55Å; L158-F196 WeakPolarHBondContact CA-O 3.32Å; L158-F196 HydrophobicContact CD1-CB 4.3Å; L159-F196 WeakPolarHBondContact CB-O 3.46Å; L159-F196 PolarHBondContact N-O 2.87Å; K162-F196 HydrophobicContact CB-CD1 3.85Å; K162-F196 HydrophobicContact CB-CE1 4.03Å; L163-F196 HydrophobicContact CD2-CB 3.88Å; L163-F196 HydrophobicContact CD2-CD1 3.38Å; L163-F196 HydrophobicContact CD2-CD2 3.98Å; L163-F196 HydrophobicContact CD2-CE1 3.89Å; L163-F196 HydrophobicContact CD2-CE2 4.45Å; L163-F196 HydrophobicContact CD2-CG 3.43Å; L163-F196 VanDerWaalsContact CD2-CG 3.43Å; L163-F196 HydrophobicContact CD2-CZ 4.4Å; L163-F196 HydrophobicContact CG-CB 4.27Å; L163-F196 HydrophobicContact CG-CD1 3.92Å; L163-F196 HydrophobicContact CG-CG 4.18Å; L166-F196 HydrophobicContact CD1-CE1 3.45Å; L166-F196 VanDerWaalsContact CD1-CE1 3.45Å; L166-F196 HydrophobicContact CD1-CZ 3.38Å; I191-F196 HydrophobicContact CG2-CD2 3.77Å; I191-F196 HydrophobicContact CG2-CE2 3.28Å; I191-F196 HydrophobicContact CG2-CZ 4.04Å; N192-F196 VanDerWaalsContact O-CD2 3.3Å; N192-F196 WeakPolarHBondContact O-CD2 3.27Å; G193-F196 CarbonylContact O-C 3.45Å; G193-F196 WeakPolarHBondContact O-CA 3.36Å; G193-F196 PolarHBondContact O-N 2.69Å; Q194-F196 PolarHBondContact O-N 3.42Å
197V89.3Confident92.8Very high36 Ų3662.8 Ų62.822%0.21833%0.332CS..BIsolated β-bridgetrans-105.8129.2172179.40000107.5G156 L177 K178 G193G156-V197 WeakPolarHBondContact O-CG1 3.21Å; L177-V197 WeakPolarHBondContact O-CG2 3.43Å; K178-V197 WeakPolarHBondContact O-CG2 3.32Å; G193-V197 WeakPolarHBondContact O-CG2 3.34Å; G193-V197 PolarHBondContact O-N 2.69Å
198G87.8Confident93.2Very high24 Ų2459 Ų5925%0.24731%0.311CS..  trans-64.6176.8175.300000112.1G156 M157 S200G156-G198 VanDerWaalsContact CA-O 3.28Å; G156-G198 WeakPolarHBondContact CA-O 3.35Å; M157-G198 PolarHBondContact O-N 3.23Å; G198-S200 PolarHBondContact O-N 2.75Å
199E87.1Confident93.6Very high181 Ų18156.9 Ų56.985%0.84629%0.287SS*.  trans-66.8135.2175.6-65.9-17916800110.6
200S88.2Confident93.8Very high88 Ų8852.7 Ų52.762%0.61527%0.272SS*.  trans-66.5145.2168.5-62.50000109.6H154 G156 G198H154-S200 CarbonylContact O-C 3.48Å; H154-S200 VanDerWaalsContact O-CA 3.23Å; H154-S200 WeakPolarHBondContact O-CA 3.39Å; H154-S200 WeakPolarHBondContact O-CB 3.18Å; G156-S200 PolarHBondContact N-OG 2.82Å; G198-S200 PolarHBondContact O-N 2.75Å
201K91.2Very high94.1Very high107 Ų10745.8 Ų45.847%0.46524%0.24SC..BIsolated β-bridgetrans-111.1132.5176.8-60.3-177.1178-173.30109.5D153 H154 G203 F306D153-K201 WeakPolarHBondContact CA-O 3.46Å; H154-K201 HydrophobicContact CB-CB 4.28Å; H154-K201 PolarHBondContact N-O 3.01Å; H154-K201 PolarHBondContact O-N 2.8Å; K201-G203 PolarHBondContact O-N 3.33Å; K201-F306 HydrophobicContact CB-CD1 4.2Å; K201-F306 HydrophobicContact CD-CB 4.14Å; K201-F306 HydrophobicContact CD-CG 4.16Å
202M94.3Very high94.3Very high136 Ų13645 Ų4567%0.6724%0.236SC*.PPolyproline II helixtrans-61.9138171.2-65.6-58.2-59.200109.5D153 F306D153-M202 WeakPolarHBondContact OD1-CA 3.47Å; D153-M202 VanDerWaalsContact OD1-CE 3.31Å; D153-M202 WeakPolarHBondContact OD1-CE 3.49Å; M202-F306 WeakPolarHBondContact O-CD1 3.32Å
203G96.5Very high94.5Very high8 Ų845.3 Ų45.38%0.08223%0.234CC..PPolyproline II helixtrans-63.1150.1173.800000111.5E151 D153 K201E151-G203 WeakPolarHBondContact O-CA 3.48Å; D153-G203 PolarHBondContact OD1-N 2.79Å; K201-G203 PolarHBondContact O-N 3.33Å
204R98.4Very high94.8Very high12 Ų1248.7 Ų48.75%0.04525%0.249CC..PPolyproline II helixtrans-74.3146.5177.2-67.9160.5-69.5-174.11.3111.6M1 E29 E151 D226 I304 F306M1-R204 HydrophobicContact CE-CB 4.04Å; M1-R204 HydrophobicContact SD-CB 4.1Å; E29-R204 IonicContact OE1-CZ 3.35Å; E29-R204 IonicContact OE1-NH1 3.16Å; E29-R204 PolarHBondContact OE1-NH1 2.85Å; E29-R204 VanDerWaalsContact OE1-NH1 3.16Å; E29-R204 IonicContact OE1-NH2 3.85Å; E29-R204 PolarHBondContact OE1-NH2 2.84Å; E151-R204 WeakPolarHBondContact CB-O 3.36Å; E151-R204 VanDerWaalsContact CD-NH2 3.26Å; E151-R204 PolarHBondContact N-O 3.49Å; E151-R204 IonicContact OE1-CZ 3.87Å; E151-R204 IonicContact OE1-NH2 2.94Å; E151-R204 PolarHBondContact OE1-NH2 3.41Å; E151-R204 IonicContact OE2-CZ 3.24Å; E151-R204 VanDerWaalsContact OE2-CZ 3.24Å; E151-R204 PolarHBondContact OE2-N 2.8Å; E151-R204 IonicContact OE2-NE 3.96Å; E151-R204 PolarHBondContact OE2-NE 3.3Å; E151-R204 IonicContact OE2-NH2 2.75Å; E151-R204 PolarHBondContact OE2-NH2 2.89Å; R204-D226 WeakPolarHBondContact CA-OD2 3.48Å; R204-I304 HydrophobicContact CB-CG2 4.13Å; R204-I304 WeakPolarHBondContact CD-O 3.41Å; R204-I304 HydrophobicContact CG-CG2 4.1Å; R204-I304 PolarHBondContact NH1-O 3.1Å; R204-I304 VanDerWaalsContact NH1-O 3.13Å; R204-F306 HydrophobicContact CG-CD1 4.13Å; R204-F306 HydrophobicContact CG-CE1 4.3Å
205I98.7Very high95Very high31 Ų3143.4 Ų43.416%0.15923%0.226CC..EExtended strand (participates in β ladder)trans-124.4124.1-179.5-54.4-178.6000109.9R148 V149 M150 S225 D226 V227R148-I205 HydrophobicContact CG-CG2 4.14Å; V149-I205 WeakPolarHBondContact O-CA 3.36Å; M150-I205 HydrophobicContact CG-CD1 4.45Å; M150-I205 HydrophobicContact CG-CG1 4.21Å; M150-I205 HydrophobicContact CG-CG2 4.1Å; I205-S225 WeakPolarHBondContact CG2-OG 3.35Å; I205-D226 PolarHBondContact N-OD2 2.7Å; I205-D226 WeakPolarHBondContact O-CB 3.34Å; I205-D226 PolarHBondContact O-N 3.08Å; I205-V227 PolarHBondContact O-N 2.88Å
206V98.8Very high94.9Very high0 Ų043 Ų430%023%0.231CC..EExtended strand (participates in β ladder)trans-119.6124.5174.2-169.20000109M1 L3 L24 V149 I208 V227 I304M1-V206 HydrophobicContact SD-CG2 3.74Å; L3-V206 HydrophobicContact CD1-CG1 4.08Å; L3-V206 HydrophobicContact CD2-CG1 4.3Å; L24-V206 HydrophobicContact CD1-CG2 4.45Å; V149-V206 HydrophobicContact CB-CB 4.49Å; V149-V206 PolarHBondContact N-O 2.81Å; V149-V206 PolarHBondContact O-N 3.44Å; V206-I208 HydrophobicContact CG1-CD1 4.19Å; V206-I208 HydrophobicContact CG1-CG1 3.92Å; V206-V227 WeakPolarHBondContact CA-O 3.38Å; V206-V227 HydrophobicContact CG1-CB 4.45Å; V206-I304 HydrophobicContact CG1-CD1 4.39Å; V206-I304 HydrophobicContact CG2-CD1 3.34Å
207T98.9Very high95.1Very high0 Ų048.4 Ų48.40%026%0.255CS..EExtended strand (participates in β ladder)trans-108.7125172-54.20000109.7F147 F209 F221 A222 S225 V227 I228 V229F147-T207 CarbonylContact O-C 3.55Å; F147-T207 WeakPolarHBondContact O-CA 3.37Å; T207-F209 HydrophobicContact CG2-CD2 3.99Å; T207-F209 HydrophobicContact CG2-CE2 3.45Å; T207-F209 VanDerWaalsContact CG2-CE2 3.45Å; T207-F209 HydrophobicContact CG2-CZ 3.96Å; T207-F221 HydrophobicContact CG2-CD1 3.79Å; T207-F221 HydrophobicContact CG2-CE1 3.76Å; T207-A222 HydrophobicContact CG2-CB 3.94Å; T207-S225 PolarHBondContact OG1-OG 3.45Å; T207-V227 PolarHBondContact N-O 3.47Å; T207-I228 CarbonylContact O-C 3.57Å; T207-I228 WeakPolarHBondContact O-CA 3.17Å; T207-V229 PolarHBondContact O-N 3.25Å
208I98.9Very high95.5Very high9 Ų946.7 Ų46.75%0.04625%0.245CC..EExtended strand (participates in β ladder)trans-120.7111.1-177.3-57.8165.9000107.1L22 F36 G146 F147 V206 V229L22-I208 HydrophobicContact CD2-CD1 3.85Å; L22-I208 HydrophobicContact CD2-CG1 4.12Å; L22-I208 HydrophobicContact CD2-CG2 3.95Å; F36-I208 HydrophobicContact CB-CD1 4.3Å; F36-I208 HydrophobicContact CB-CG2 4.19Å; F36-I208 HydrophobicContact CD1-CB 4.34Å; F36-I208 HydrophobicContact CD1-CD1 3.69Å; F36-I208 HydrophobicContact CD1-CG2 4.27Å; F36-I208 HydrophobicContact CD2-CD1 3.45Å; F36-I208 VanDerWaalsContact CD2-CD1 3.45Å; F36-I208 HydrophobicContact CE1-CD1 3.82Å; F36-I208 HydrophobicContact CE2-CD1 3.58Å; F36-I208 HydrophobicContact CG-CD1 3.52Å; F36-I208 HydrophobicContact CG-CG2 4.32Å; F36-I208 HydrophobicContact CZ-CD1 3.78Å; G146-I208 CarbonylContact C-O 3.58Å; G146-I208 WeakPolarHBondContact CA-O 3.23Å; F147-I208 PolarHBondContact N-O 2.99Å; F147-I208 PolarHBondContact O-N 2.82Å; V206-I208 HydrophobicContact CG1-CD1 4.19Å; V206-I208 HydrophobicContact CG1-CG1 3.92Å; I208-V229 HydrophobicContact CG1-CB 4.27Å; I208-V229 HydrophobicContact CG1-CG2 4.23Å; I208-V229 HydrophobicContact CG2-CB 4.33Å
209F98.8Very high95.9Very high9 Ų946 Ų464%0.03924%0.235CC..EExtended strand (participates in β ladder)trans-85.8136.6174.6-72.1-94.3000110.1M136 L138 T207 T212 S218 F221 A222 I228 V229 H230M136-F209 HydrophobicContact CE-CE1 4.28Å; L138-F209 HydrophobicContact CD1-CB 4.49Å; L138-F209 HydrophobicContact CD1-CD1 4.11Å; L138-F209 HydrophobicContact CD2-CD1 3.71Å; L138-F209 HydrophobicContact CD2-CE1 3.94Å; T207-F209 HydrophobicContact CG2-CD2 3.99Å; T207-F209 HydrophobicContact CG2-CE2 3.45Å; T207-F209 VanDerWaalsContact CG2-CE2 3.45Å; T207-F209 HydrophobicContact CG2-CZ 3.96Å; F209-T212 HydrophobicContact CD1-CG2 4.26Å; F209-S218 WeakPolarHBondContact CZ-O 3.44Å; F209-F221 HydrophobicContact CE1-CD1 4.22Å; F209-F221 HydrophobicContact CZ-CD1 4.03Å; F209-A222 HydrophobicContact CE2-CB 3.9Å; F209-A222 HydrophobicContact CZ-CB 4.02Å; F209-I228 HydrophobicContact CD2-CG2 4.11Å; F209-I228 HydrophobicContact CE2-CG2 4.07Å; F209-V229 PolarHBondContact N-O 3.49Å; F209-H230 AromaticContact CD2-CD2 3.41Å; F209-H230 VanDerWaalsContact CD2-CD2 3.41Å; F209-H230 WeakPolarHBondContact CD2-CD2 3.22Å; F209-H230 AromaticContact CE2-CD2 3.88Å; F209-H230 AromaticContact CG-CD2 3.57Å; F209-H230 AromaticContact CG-NE2 3.88Å
210G98.4Very high96.4Very high2 Ų244.6 Ų44.62%0.02123%0.229CC..  trans-72.2-171155.500000111.6Y145 T212Y145-G210 PolarHBondContact O-N 3.42Å; G210-T212 PolarHBondContact O-N 2.9Å
211D98.7Very high96.9Very high5 Ų541.5 Ų41.53%0.02720%0.204CC..SBendtrans-62.4132.8176.3-67.213.4000110.1H63 H68 H140 S144 E231 H247 H269H63-D211 IonicContact CE1-OD1 3.52Å; H63-D211 IonicContact CE1-OD2 3.61Å; H63-D211 PolarHBondContact CE1-OD2 3.39Å; H63-D211 IonicContact NE2-OD2 3.42Å; H68-D211 IonicContact CE1-OD1 3.54Å; H68-D211 PolarHBondContact CE1-OD1 3.3Å; H68-D211 VanDerWaalsContact CE1-OD1 3.28Å; H68-D211 IonicContact NE2-OD1 2.74Å; H68-D211 IonicContact NE2-OD2 2.69Å; H140-D211 WeakPolarHBondContact CB-O 3.49Å; S144-D211 WeakPolarHBondContact CB-O 3.37Å; S144-D211 PolarHBondContact OG-O 2.71Å; D211-E231 WeakPolarHBondContact CA-OE1 3.36Å; D211-H247 IonicContact OD2-CE1 2.76Å; D211-H247 PolarHBondContact OD2-CE1 2.88Å; D211-H247 VanDerWaalsContact OD2-CE1 3.27Å; D211-H247 IonicContact OD2-ND1 3Å; D211-H269 IonicContact OD1-CD2 3.05Å; D211-H269 IonicContact OD1-CE1 3.69Å; D211-H269 PolarHBondContact OD1-CE1 2.9Å; D211-H269 IonicContact OD1-CG 3.49Å; D211-H269 IonicContact OD1-ND1 3.7Å; D211-H269 IonicContact OD1-NE2 3.53Å; D211-H269 IonicContact OD2-CE1 3.47Å; D211-H269 PolarHBondContact OD2-CE1 2.68Å; D211-H269 IonicContact OD2-ND1 2.85Å; D211-H269 IonicContact OD2-NE2 3.64Å; D211-H269 PolarHBondContact OD2-NE2 3.15Å
212T98.5Very high97.3Very high0 Ų036.4 Ų36.40%018%0.182CC..  trans-166.3149.8-174.9-172.40000112.5L138 D139 F209 G210 E231 F246 H247 S248L138-T212 HydrophobicContact CD1-CG2 4.16Å; D139-T212 PolarHBondContact N-OG1 2.77Å; F209-T212 HydrophobicContact CD1-CG2 4.26Å; G210-T212 PolarHBondContact O-N 2.9Å; T212-E231 PolarHBondContact N-OE1 3.47Å; T212-F246 CarbonylContact C-O 3.58Å; T212-F246 VanDerWaalsContact C-O 3.32Å; T212-H247 CarbonylContact O-C 3.57Å; T212-H247 WeakPolarHBondContact O-CA 3.49Å; T212-S248 PolarHBondContact O-N 3.47Å; T212-S248 VanDerWaalsContact O-N 3.17Å; T212-S248 PolarHBondContact O-OG 3.49Å
213R97.9Very high97.5Very high45 Ų4535.5 Ų35.517%0.1718%0.175CC..  trans-68.5161.5157.2-65-179.5177.5137.83.4111.4D139 T215 R243 F246D139-R213 HydrophobicContact CB-CB 4.2Å; D139-R213 PolarHBondContact O-N 2.78Å; D139-R213 IonicContact OD1-NH1 3.18Å; D139-R213 PolarHBondContact OD1-NH1 2.85Å; D139-R213 VanDerWaalsContact OD2-CD 3.32Å; D139-R213 WeakPolarHBondContact OD2-CD 3.36Å; D139-R213 IonicContact OD2-NH1 3.62Å; R213-T215 PolarHBondContact O-N 2.91Å; R213-R243 PolarHBondContact NE-O 3.1Å; R213-R243 PolarHBondContact NH2-O 3.04Å; R213-F246 HydrophobicContact CG-CB 4.3Å; R213-F246 PolarHBondContact N-O 3.27Å; R213-F246 VanDerWaalsContact NH1-CD1 3.29Å; R213-F246 VanDerWaalsContact NH2-CD1 3.27Å; R213-F246 VanDerWaalsContact NH2-CD2 3.28Å; R213-F246 VanDerWaalsContact NH2-CG 3.31Å
214F96.1Very high97.5Very high72 Ų7238.4 Ų38.432%0.31619%0.189SC..  trans-59.4126.7165175.9-98.1000111.3S248 Q252 T255 I256F214-S248 PolarHBondContact N-OG 3.3Å; F214-Q252 HydrophobicContact CB-CB 3.89Å; F214-Q252 HydrophobicContact CB-CG 3.69Å; F214-Q252 HydrophobicContact CD2-CB 3.85Å; F214-Q252 HydrophobicContact CD2-CG 4.01Å; F214-Q252 HydrophobicContact CG-CB 4.15Å; F214-Q252 HydrophobicContact CG-CG 3.91Å; F214-T255 HydrophobicContact CE2-CG2 4.22Å; F214-T255 HydrophobicContact CZ-CG2 4.49Å; F214-I256 HydrophobicContact CD2-CD1 3.8Å; F214-I256 HydrophobicContact CD2-CG1 3.81Å; F214-I256 HydrophobicContact CE2-CD1 4.27Å; F214-I256 HydrophobicContact CE2-CG1 3.76Å
215T94.1Very high97.5Very high28 Ų2837.9 Ų37.917%0.17219%0.186CC..  trans-136147.8169.388.90000109.1D139 R213 K217 S218D139-T215 HydrophobicContact CB-CG2 3.83Å; R213-T215 PolarHBondContact O-N 2.91Å; T215-K217 PolarHBondContact O-N 2.8Å; T215-K217 PolarHBondContact OG1-N 3.26Å; T215-S218 VanDerWaalsContact O-CB 3.28Å; T215-S218 WeakPolarHBondContact O-CB 3.43Å; T215-S218 PolarHBondContact O-N 3.29Å; T215-S218 PolarHBondContact O-OG 3.42Å; T215-S218 PolarHBondContact OG1-N 2.97Å; T215-S218 PolarHBondContact OG1-OG 2.98Å; T215-S218 VanDerWaalsContact OG1-OG 3.04Å
216S90.1Very high97.5Very high91 Ų9137 Ų3764%0.63618%0.182SC*.Hα-helixtrans-66.6-24.317557.80000112.8S218 S219S216-S218 PolarHBondContact O-N 2.96Å; S216-S219 PolarHBondContact O-N 2.86Å
217K95.9Very high97.5Very high133 Ų13337.2 Ų37.258%0.57818%0.184SC*.Hα-helixtrans-64.9-28.6175.2-63.7-175.1177.8-175.20111.8M136 T215 S219 E220 F221M136-K217 HydrophobicContact CE-CB 4.45Å; M136-K217 HydrophobicContact SD-CB 4.04Å; T215-K217 PolarHBondContact O-N 2.8Å; T215-K217 PolarHBondContact OG1-N 3.26Å; K217-S219 VanDerWaalsContact C-N 3.29Å; K217-S219 PolarHBondContact O-N 3.01Å; K217-E220 PolarHBondContact O-N 3Å; K217-F221 WeakPolarHBondContact O-CB 3.48Å; K217-F221 PolarHBondContact O-N 2.75Å
218S97.8Very high97.5Very high0 Ų037.2 Ų37.20%018%0.184CC..Hα-helixtrans-59.9-39.7176.8-56.60000111.9F209 T215 S216 F221 A222F209-S218 WeakPolarHBondContact CZ-O 3.44Å; T215-S218 VanDerWaalsContact O-CB 3.28Å; T215-S218 WeakPolarHBondContact O-CB 3.43Å; T215-S218 PolarHBondContact O-N 3.29Å; T215-S218 PolarHBondContact O-OG 3.42Å; T215-S218 PolarHBondContact OG1-N 2.97Å; T215-S218 PolarHBondContact OG1-OG 2.98Å; T215-S218 VanDerWaalsContact OG1-OG 3.04Å; S216-S218 PolarHBondContact O-N 2.96Å; S218-F221 PolarHBondContact O-N 3.48Å; S218-A222 VanDerWaalsContact O-CB 3.27Å; S218-A222 WeakPolarHBondContact O-CB 3.37Å; S218-A222 PolarHBondContact O-N 3.49Å
219S97.7Very high97.5Very high8 Ų837 Ų376%0.05618%0.182CC..Hα-helixtrans-65.7-40.6177.3-50.80000112S216 K217 A222 K223 E259 A260S216-S219 PolarHBondContact O-N 2.86Å; K217-S219 VanDerWaalsContact C-N 3.29Å; K217-S219 PolarHBondContact O-N 3.01Å; S219-A222 PolarHBondContact O-N 2.79Å; S219-K223 PolarHBondContact O-N 3.09Å; S219-E259 WeakPolarHBondContact CB-OE2 3.4Å; S219-E259 PolarHBondContact OG-OE2 2.85Å; S219-A260 WeakPolarHBondContact O-CB 3.47Å
220E97.5Very high97.5Very high152 Ų15236.5 Ų36.571%0.7118%0.18SC*.Hα-helixtrans-66.9-45.1176.4-175.6176.1-173.500111.6K217 A222 K223K217-E220 PolarHBondContact O-N 3Å; E220-A222 VanDerWaalsContact C-N 3.26Å; E220-A222 PolarHBondContact O-N 3.1Å; E220-K223 WeakPolarHBondContact O-CB 3.4Å; E220-K223 PolarHBondContact O-N 2.53Å
221F98.2Very high97.5Very high23 Ų2336.5 Ų36.510%0.10118%0.18CC..Hα-helixtrans-64.4-30.4177.8-178-111.5000113.1E134 M136 G146 R148 T207 F209 K217 S218E134-F221 HydrophobicContact CB-CE2 4.41Å; M136-F221 HydrophobicContact CB-CD1 4.18Å; M136-F221 HydrophobicContact CB-CD2 3.61Å; M136-F221 HydrophobicContact CB-CE1 4.2Å; M136-F221 HydrophobicContact CB-CE2 3.62Å; M136-F221 HydrophobicContact CB-CG 3.88Å; M136-F221 HydrophobicContact CB-CZ 3.91Å; M136-F221 HydrophobicContact CE-CB 3.74Å; M136-F221 HydrophobicContact CE-CD1 4.08Å; M136-F221 HydrophobicContact CE-CG 3.95Å; M136-F221 HydrophobicContact CG-CD2 4.41Å; M136-F221 HydrophobicContact CG-CG 4.49Å; M136-F221 HydrophobicContact SD-CB 3.57Å; M136-F221 VanDerWaalsContact SD-CB 3.57Å; M136-F221 HydrophobicContact SD-CD2 4.19Å; M136-F221 HydrophobicContact SD-CG 3.87Å; G146-F221 WeakPolarHBondContact O-CZ 3.25Å; R148-F221 HydrophobicContact CB-CE1 4.03Å; R148-F221 HydrophobicContact CB-CE2 3.84Å; R148-F221 HydrophobicContact CB-CZ 3.52Å; R148-F221 WeakPolarHBondContact CD-O 3.22Å; R148-F221 PolarHBondContact NH1-O 2.93Å; T207-F221 HydrophobicContact CG2-CD1 3.79Å; T207-F221 HydrophobicContact CG2-CE1 3.76Å; F209-F221 HydrophobicContact CE1-CD1 4.22Å; F209-F221 HydrophobicContact CZ-CD1 4.03Å; K217-F221 WeakPolarHBondContact O-CB 3.48Å; K217-F221 PolarHBondContact O-N 2.75Å; S218-F221 PolarHBondContact O-N 3.48Å
222A98.5Very high97.4Very high0 Ų036.3 Ų36.30%018%0.179CC..THydrogen-bonded Turntrans-94.67.6179.800000114R148 T207 F209 S218 S219 E220 D224 S225 I228 A260R148-A222 VanDerWaalsContact NH1-C 3.27Å; T207-A222 HydrophobicContact CG2-CB 3.94Å; F209-A222 HydrophobicContact CE2-CB 3.9Å; F209-A222 HydrophobicContact CZ-CB 4.02Å; S218-A222 VanDerWaalsContact O-CB 3.27Å; S218-A222 WeakPolarHBondContact O-CB 3.37Å; S218-A222 PolarHBondContact O-N 3.49Å; S219-A222 PolarHBondContact O-N 2.79Å; E220-A222 VanDerWaalsContact C-N 3.26Å; E220-A222 PolarHBondContact O-N 3.1Å; A222-D224 PolarHBondContact O-N 2.99Å; A222-S225 WeakPolarHBondContact O-CB 3.48Å; A222-S225 PolarHBondContact O-N 3.26Å; A222-S225 PolarHBondContact O-OG 3.14Å; A222-I228 HydrophobicContact CB-CD1 3.48Å; A222-I228 VanDerWaalsContact CB-CD1 3.48Å; A222-I228 HydrophobicContact CB-CG1 4Å; A222-A260 HydrophobicContact CB-CB 3.96Å; A222-A260 WeakPolarHBondContact O-CB 3.24Å
223K98.4Very high97.3Very high117 Ų11736.5 Ų36.551%0.50918%0.18SC..THydrogen-bonded Turntrans-52.4134.1-173.8-177.7178.5177.4-175.20113.1R148 S219 E220 S225 A260R148-K223 VanDerWaalsContact CZ-O 3.24Å; R148-K223 PolarHBondContact NH1-O 2.91Å; R148-K223 PolarHBondContact NH2-O 3.03Å; S219-K223 PolarHBondContact O-N 3.09Å; E220-K223 WeakPolarHBondContact O-CB 3.4Å; E220-K223 PolarHBondContact O-N 2.53Å; K223-S225 PolarHBondContact O-N 3.34Å; K223-S225 VanDerWaalsContact O-N 3.12Å; K223-A260 CarbonylContact C-O 3.57Å; K223-A260 WeakPolarHBondContact CA-O 3.49Å
224D98.1Very high97.2Very high70 Ų7034.8 Ų34.837%0.37417%0.174SC..THydrogen-bonded Turntrans55.721.3177.1-57.6-47.1000114.9A222 A260 N261A222-D224 PolarHBondContact O-N 2.99Å; D224-A260 PolarHBondContact N-O 3.03Å; D224-N261 PolarHBondContact OD1-ND2 3.31Å
225S98.6Very high97.2Very high0 Ų032.7 Ų32.70%017%0.166CC..  trans-67.9137178.7-66.50000112.6R148 I205 T207 A222 K223 V227 A262 K263R148-S225 PolarHBondContact NH1-OG 3.03Å; I205-S225 WeakPolarHBondContact CG2-OG 3.35Å; T207-S225 PolarHBondContact OG1-OG 3.45Å; A222-S225 WeakPolarHBondContact O-CB 3.48Å; A222-S225 PolarHBondContact O-N 3.26Å; A222-S225 PolarHBondContact O-OG 3.14Å; K223-S225 PolarHBondContact O-N 3.34Å; K223-S225 VanDerWaalsContact O-N 3.12Å; S225-V227 VanDerWaalsContact C-N 3.33Å; S225-A262 CarbonylContact O-C 3.11Å; S225-A262 WeakPolarHBondContact O-CA 3.35Å; S225-K263 PolarHBondContact O-N 3.17Å
226D98.7Very high97.3Very high13 Ų1334.9 Ų34.97%0.0717%0.173CC..SBendtrans-63.6-43.6172.6-64.9-73.2000110.8R204 I205 K263 K264 I304R204-D226 WeakPolarHBondContact CA-OD2 3.48Å; I205-D226 PolarHBondContact N-OD2 2.7Å; I205-D226 WeakPolarHBondContact O-CB 3.34Å; I205-D226 PolarHBondContact O-N 3.08Å; D226-K263 WeakPolarHBondContact O-CB 3.49Å; D226-K263 WeakPolarHBondContact OD1-CD 3.37Å; D226-K263 WeakPolarHBondContact OD1-CE 3.45Å; D226-K263 IonicContact OD1-NZ 2.72Å; D226-K263 PolarHBondContact OD1-NZ 2.86Å; D226-K264 PolarHBondContact O-N 3.13Å; D226-I304 HydrophobicContact CB-CG2 3.83Å
227V98.8Very high97.6Very high5 Ų536.8 Ų36.83%0.0318%0.176CC..EExtended strand (participates in β ladder)trans-134130.5175.7-176.10000110L3 I205 V206 T207 S225 V229 K264 M266 I304L3-V227 HydrophobicContact CD1-CB 4.4Å; L3-V227 HydrophobicContact CD1-CG1 3.82Å; I205-V227 PolarHBondContact O-N 2.88Å; V206-V227 WeakPolarHBondContact CA-O 3.38Å; V206-V227 HydrophobicContact CG1-CB 4.45Å; T207-V227 PolarHBondContact N-O 3.47Å; S225-V227 VanDerWaalsContact C-N 3.33Å; V227-V229 HydrophobicContact CG1-CG2 4.35Å; V227-K264 WeakPolarHBondContact CA-O 3.33Å; V227-K264 HydrophobicContact CG2-CB 4.36Å; V227-M266 HydrophobicContact CG1-CG 3.83Å; V227-I304 HydrophobicContact CB-CD1 4.13Å; V227-I304 HydrophobicContact CG2-CD1 3.74Å; V227-I304 HydrophobicContact CG2-CG1 3.85Å; V227-I304 HydrophobicContact CG2-CG2 4.28Å
228I98.9Very high97.6Very high0 Ų032.8 Ų32.80%016%0.16CC..EExtended strand (participates in β ladder)trans-102.9128.2163.3-65.1176.1000108.2T207 F209 A222 H230 A257 A260 A262 K264 L265 M266T207-I228 CarbonylContact O-C 3.57Å; T207-I228 WeakPolarHBondContact O-CA 3.17Å; F209-I228 HydrophobicContact CD2-CG2 4.11Å; F209-I228 HydrophobicContact CE2-CG2 4.07Å; A222-I228 HydrophobicContact CB-CD1 3.48Å; A222-I228 VanDerWaalsContact CB-CD1 3.48Å; A222-I228 HydrophobicContact CB-CG1 4Å; I228-H230 HydrophobicContact CG2-CB 4.05Å; I228-A257 HydrophobicContact CD1-CB 4.14Å; I228-A260 HydrophobicContact CD1-CB 3.94Å; I228-A262 HydrophobicContact CD1-CB 3.44Å; I228-A262 VanDerWaalsContact CD1-CB 3.44Å; I228-A262 HydrophobicContact CG1-CB 3.84Å; I228-K264 PolarHBondContact N-O 3.4Å; I228-L265 HydrophobicContact CB-CD1 4.11Å; I228-L265 HydrophobicContact CG2-CD1 3.85Å; I228-L265 WeakPolarHBondContact O-CA 3.41Å; I228-M266 PolarHBondContact O-N 3.4Å
229V98.9Very high97.5Very high3 Ų334.8 Ų34.82%0.01818%0.176CC..EExtended strand (participates in β ladder)trans-103.2117.6163.9-174.80000107.4L3 F5 L22 T207 I208 F209 V227 M266 T268L3-V229 HydrophobicContact CD1-CG2 3.72Å; F5-V229 HydrophobicContact CE1-CG1 3.82Å; F5-V229 HydrophobicContact CZ-CG1 4.08Å; F5-V229 HydrophobicContact CZ-CG2 4.1Å; L22-V229 HydrophobicContact CD2-CB 4.43Å; L22-V229 HydrophobicContact CD2-CG1 4.18Å; L22-V229 HydrophobicContact CD2-CG2 4.09Å; T207-V229 PolarHBondContact O-N 3.25Å; I208-V229 HydrophobicContact CG1-CB 4.27Å; I208-V229 HydrophobicContact CG1-CG2 4.23Å; I208-V229 HydrophobicContact CG2-CB 4.33Å; F209-V229 PolarHBondContact N-O 3.49Å; V227-V229 HydrophobicContact CG1-CG2 4.35Å; V229-M266 WeakPolarHBondContact CA-O 3.37Å; V229-M266 HydrophobicContact CG2-CB 4.2Å; V229-T268 HydrophobicContact CG1-CG2 3.72Å
230H98.8Very high97.4Very high0 Ų043.7 Ų43.70%021%0.214CC..EExtended strand (participates in β ladder)trans-131.5141-176.2-157.4-67.3000111F209 I228 A253 I256 L265 M266 L267 T268F209-H230 AromaticContact CD2-CD2 3.41Å; F209-H230 VanDerWaalsContact CD2-CD2 3.41Å; F209-H230 WeakPolarHBondContact CD2-CD2 3.22Å; F209-H230 AromaticContact CE2-CD2 3.88Å; F209-H230 AromaticContact CG-CD2 3.57Å; F209-H230 AromaticContact CG-NE2 3.88Å; I228-H230 HydrophobicContact CG2-CB 4.05Å; H230-A253 HydrophobicContact CB-CB 4.04Å; H230-I256 VanDerWaalsContact NE2-CD1 3.28Å; H230-I256 WeakPolarHBondContact NE2-CD1 3.18Å; H230-L265 HydrophobicContact CB-CD1 3.99Å; H230-M266 PolarHBondContact N-O 2.74Å; H230-L267 WeakPolarHBondContact O-CA 3.32Å; H230-T268 PolarHBondContact O-N 3.02Å
231E98.2Very high97.4Very high2 Ų239 Ų391%0.00919%0.193CC..EExtended strand (participates in β ladder)trans-63.2144.8170.373.8122.8116.800111D211 T212 T233 H247 S248 H269D211-E231 WeakPolarHBondContact CA-OE1 3.36Å; T212-E231 PolarHBondContact N-OE1 3.47Å; E231-T233 PolarHBondContact OE2-N 3.32Å; E231-T233 PolarHBondContact OE2-OG1 3.44Å; E231-H247 WeakPolarHBondContact OE1-CA 3.44Å; E231-H247 IonicContact OE1-CE1 3.83Å; E231-H247 IonicContact OE1-CG 3.15Å; E231-H247 IonicContact OE1-ND1 3.58Å; E231-H247 PolarHBondContact OE1-ND1 2.83Å; E231-H247 WeakPolarHBondContact OE2-CB 3.12Å; E231-H247 IonicContact OE2-CG 3.83Å; E231-H247 IonicContact OE2-ND1 2.74Å; E231-S248 PolarHBondContact OE2-N 3.05Å; E231-H269 HydrophobicContact CB-CB 3.76Å
232S96.1Very high97.3Very high0 Ų037.9 Ų37.90%019%0.188CC..  trans-147.159.9177.2179.30000109.5F234 T250 T268 I270S232-F234 PolarHBondContact O-N 3.36Å; S232-F234 VanDerWaalsContact O-N 3.11Å; S232-T250 VanDerWaalsContact OG-CA 3.22Å; S232-T250 WeakPolarHBondContact OG-CA 3.05Å; S232-T250 WeakPolarHBondContact OG-CG2 3.44Å; S232-T250 PolarHBondContact OG-N 3.28Å; S232-T250 VanDerWaalsContact OG-N 3.14Å; S232-T268 PolarHBondContact N-O 2.87Å; S232-I270 WeakPolarHBondContact O-CD1 3.4Å
233T96.3Very high97.2Very high5 Ų546.3 Ų46.33%0.03122%0.22CC..  trans-57.6-30-172.5-51.50000112.9A10 E231 H247 S248 H269 S271 Y274A10-T233 HydrophobicContact CB-CG2 4.14Å; E231-T233 PolarHBondContact OE2-N 3.32Å; E231-T233 PolarHBondContact OE2-OG1 3.44Å; T233-H247 HydrophobicContact CG2-CB 4.47Å; T233-H247 PolarHBondContact OG1-ND1 2.92Å; T233-S248 PolarHBondContact N-O 3.06Å; T233-H269 VanDerWaalsContact CA-O 3.25Å; T233-H269 WeakPolarHBondContact CA-O 3.37Å; T233-H269 PolarHBondContact OG1-ND1 3.18Å; T233-H269 PolarHBondContact OG1-O 3Å; T233-S271 VanDerWaalsContact O-CB 3.27Å; T233-S271 WeakPolarHBondContact O-CB 3.37Å; T233-Y274 WeakPolarHBondContact O-CE2 3.44Å
234F96.4Very high97.1Very high8 Ų843.8 Ų43.84%0.03522%0.221CC..BIsolated β-bridgetrans-128.9159.2-173.7-59.6-73.1000113.7S232 E238 L241 A242 Y245 H247 S248 T249 T250S232-F234 PolarHBondContact O-N 3.36Å; S232-F234 VanDerWaalsContact O-N 3.11Å; F234-E238 HydrophobicContact CB-CB 3.87Å; F234-E238 HydrophobicContact CD1-CB 4.43Å; F234-E238 WeakPolarHBondContact CD1-OE2 3.49Å; F234-E238 HydrophobicContact CG-CB 4.41Å; F234-L241 HydrophobicContact CD1-CD2 3.85Å; F234-L241 HydrophobicContact CD1-CG 4.33Å; F234-L241 HydrophobicContact CE1-CD2 3.41Å; F234-L241 VanDerWaalsContact CE1-CD2 3.41Å; F234-L241 HydrophobicContact CE1-CG 3.79Å; F234-L241 HydrophobicContact CZ-CD2 4.08Å; F234-L241 HydrophobicContact CZ-CG 3.95Å; F234-A242 HydrophobicContact CB-CB 4.16Å; F234-A242 HydrophobicContact CD2-CB 3.48Å; F234-A242 VanDerWaalsContact CD2-CB 3.48Å; F234-A242 HydrophobicContact CE2-CB 4.22Å; F234-A242 HydrophobicContact CG-CB 4.14Å; F234-Y245 HydrophobicContact CZ-CD2 4.35Å; F234-H247 HydrophobicContact CD2-CB 3.94Å; F234-H247 HydrophobicContact CE2-CB 3.77Å; F234-H247 AromaticContact CE2-CD2 3.88Å; F234-S248 PolarHBondContact N-O 2.93Å; F234-T249 HydrophobicContact CB-CG2 4.25Å; F234-T249 CarbonylContact O-C 3.6Å; F234-T249 WeakPolarHBondContact O-CA 3.45Å; F234-T250 PolarHBondContact O-N 3.34Å; F234-T250 VanDerWaalsContact O-N 3.08Å
235N96.1Very high97Very high29 Ų2947.5 Ų47.516%0.15523%0.231CC..  trans-75.7173.1174.270.238.4000112.3N237 E238 T249 Y274 L282N235-N237 PolarHBondContact O-N 3.42Å; N235-N237 VanDerWaalsContact O-N 3.15Å; N235-N237 WeakPolarHBondContact OD1-CA 3.27Å; N235-N237 WeakPolarHBondContact OD1-CB 3.5Å; N235-N237 PolarHBondContact OD1-N 3.11Å; N235-E238 PolarHBondContact O-N 3.32Å; N235-E238 WeakPolarHBondContact OD1-CG 3.25Å; N235-E238 PolarHBondContact OD1-N 3.26Å; N235-E238 VanDerWaalsContact OD1-N 3.09Å; N235-T249 WeakPolarHBondContact O-CB 3.42Å; N235-T249 WeakPolarHBondContact O-CG2 3.47Å; N235-Y274 HydrophobicContact CB-CE1 4.29Å; N235-Y274 WeakPolarHBondContact CB-OH 3.16Å; N235-Y274 VanDerWaalsContact CG-OH 3.3Å; N235-Y274 PolarHBondContact N-OH 3.18Å; N235-Y274 PolarHBondContact ND2-OH 2.98Å; N235-Y274 VanDerWaalsContact ND2-OH 3.1Å; N235-L282 HydrophobicContact CB-CD2 3.39Å
236K95.8Very high97Very high74 Ų7450.7 Ų50.732%0.32225%0.245SC..G310 helixtrans-60.4-25.1-178.672.4-174.1170.5-168.80115.1T250 H251 E285K236-T250 PolarHBondContact N-OG1 3.03Å; K236-H251 HydrophobicContact CB-CB 4.16Å; K236-H251 VanDerWaalsContact CD-NE2 3.34Å; K236-H251 WeakPolarHBondContact CD-NE2 3.48Å; K236-E285 HydrophobicContact CD-CB 4.18Å; K236-E285 HydrophobicContact CD-CG 3.73Å; K236-E285 WeakPolarHBondContact CE-OE1 3.37Å; K236-E285 HydrophobicContact CG-CG 4.28Å; K236-E285 WeakPolarHBondContact CG-OE2 3.2Å; K236-E285 PolarHBondContact N-OE2 3.05Å
237N95.9Very high97Very high131 Ų13151.3 Ų51.370%0.70125%0.247SC*.G310 helixtrans-87.8-10.3-176.6-59.9-48.8000112.9N235N235-N237 PolarHBondContact O-N 3.42Å; N235-N237 VanDerWaalsContact O-N 3.15Å; N235-N237 WeakPolarHBondContact OD1-CA 3.27Å; N235-N237 WeakPolarHBondContact OD1-CB 3.5Å; N235-N237 PolarHBondContact OD1-N 3.11Å
238E95.3Very high97Very high49 Ų4951 Ų5123%0.22925%0.246CC..G310 helixtrans-102.422-174.6-76.6-173.2146.100113F234 N235 K240 L241 A242 R273 Y274F234-E238 HydrophobicContact CB-CB 3.87Å; F234-E238 HydrophobicContact CD1-CB 4.43Å; F234-E238 WeakPolarHBondContact CD1-OE2 3.49Å; F234-E238 HydrophobicContact CG-CB 4.41Å; N235-E238 PolarHBondContact O-N 3.32Å; N235-E238 WeakPolarHBondContact OD1-CG 3.25Å; N235-E238 PolarHBondContact OD1-N 3.26Å; N235-E238 VanDerWaalsContact OD1-N 3.09Å; E238-K240 PolarHBondContact O-N 2.85Å; E238-K240 VanDerWaalsContact O-N 3.08Å; E238-L241 HydrophobicContact CB-CB 4.27Å; E238-L241 WeakPolarHBondContact O-CA 3.43Å; E238-L241 WeakPolarHBondContact O-CB 3.28Å; E238-L241 PolarHBondContact O-N 3.35Å; E238-A242 PolarHBondContact O-N 3Å; E238-R273 IonicContact OE1-NH1 3.5Å; E238-R273 PolarHBondContact OE1-NH1 3.34Å; E238-R273 IonicContact OE2-NH1 3.98Å; E238-Y274 PolarHBondContact OE2-OH 3.17Å
239A95.7Very high96.9Very high42 Ų4251.2 Ų51.235%0.34725%0.247SC..Hα-helixtrans-54.4-33.5-177.300000114.5R243 T249A239-R243 WeakPolarHBondContact O-CB 3.45Å; A239-R243 PolarHBondContact O-N 3.02Å; A239-T249 HydrophobicContact CB-CG2 4.2Å
240K96.9Very high96.9Very high195 Ų19551 Ų5185%0.84825%0.246SC*.Hα-helixtrans-65.9-40.9173.9-70.5-175.9-178.5177.80111.9E238 A244E238-K240 PolarHBondContact O-N 2.85Å; E238-K240 VanDerWaalsContact O-N 3.08Å; K240-A244 WeakPolarHBondContact O-CB 3.4Å; K240-A244 PolarHBondContact O-N 3.47Å
241L95.9Very high96.8Very high53 Ų5353.9 Ų53.928%0.27726%0.259SS..Hα-helixtrans-69.7-46.5178.9-167.367.3000110.3F234 E238 R243 A244 Y245F234-L241 HydrophobicContact CD1-CD2 3.85Å; F234-L241 HydrophobicContact CD1-CG 4.33Å; F234-L241 HydrophobicContact CE1-CD2 3.41Å; F234-L241 VanDerWaalsContact CE1-CD2 3.41Å; F234-L241 HydrophobicContact CE1-CG 3.79Å; F234-L241 HydrophobicContact CZ-CD2 4.08Å; F234-L241 HydrophobicContact CZ-CG 3.95Å; E238-L241 HydrophobicContact CB-CB 4.27Å; E238-L241 WeakPolarHBondContact O-CA 3.43Å; E238-L241 WeakPolarHBondContact O-CB 3.28Å; E238-L241 PolarHBondContact O-N 3.35Å; L241-R243 VanDerWaalsContact C-N 3.32Å; L241-R243 PolarHBondContact O-N 3.46Å; L241-A244 PolarHBondContact O-N 3.37Å; L241-A244 VanDerWaalsContact O-N 3.08Å; L241-Y245 HydrophobicContact CD1-CD2 3.77Å; L241-Y245 HydrophobicContact CD1-CE2 3.48Å; L241-Y245 VanDerWaalsContact CD1-CE2 3.48Å; L241-Y245 HydrophobicContact CG-CD2 4.02Å; L241-Y245 HydrophobicContact CG-CE2 4.2Å; L241-Y245 WeakPolarHBondContact O-CD2 3.41Å; L241-Y245 PolarHBondContact O-N 3.22Å
242A96.7Very high96.8Very high0 Ų055.9 Ų55.90%027%0.268CS..Hα-helixtrans-52.1-51.2173.200000111.2F234 E238 A244 Y245 F246 H247 T249F234-A242 HydrophobicContact CB-CB 4.16Å; F234-A242 HydrophobicContact CD2-CB 3.48Å; F234-A242 VanDerWaalsContact CD2-CB 3.48Å; F234-A242 HydrophobicContact CE2-CB 4.22Å; F234-A242 HydrophobicContact CG-CB 4.14Å; E238-A242 PolarHBondContact O-N 3Å; A242-A244 PolarHBondContact O-N 2.72Å; A242-Y245 CarbonylContact O-C 3.52Å; A242-Y245 PolarHBondContact O-N 3.32Å; A242-F246 PolarHBondContact O-N 3.39Å; A242-H247 CarbonylContact C-O 3.55Å; A242-H247 WeakPolarHBondContact CB-O 3.32Å; A242-H247 PolarHBondContact O-N 3.47Å; A242-T249 HydrophobicContact CB-CG2 3.73Å
243R96.5Very high96.9Very high177 Ų17755.9 Ų55.967%0.66827%0.268SS*.Hα-helixtrans-59.8-45.8175.7-171.2173.8-175.9152.92.4112.3R213 A239 L241 Y245 F246R213-R243 PolarHBondContact NE-O 3.1Å; R213-R243 PolarHBondContact NH2-O 3.04Å; A239-R243 WeakPolarHBondContact O-CB 3.45Å; A239-R243 PolarHBondContact O-N 3.02Å; L241-R243 VanDerWaalsContact C-N 3.32Å; L241-R243 PolarHBondContact O-N 3.46Å; R243-Y245 VanDerWaalsContact C-N 3.28Å; R243-Y245 PolarHBondContact O-N 3.34Å; R243-F246 PolarHBondContact O-N 3.47Å; R243-F246 VanDerWaalsContact O-N 3.16Å
244A96.6Very high97Very high64 Ų6455.6 Ų55.653%0.52927%0.267SS..Hα-helixtrans-59.5-38.9-178.700000112.7K240 L241 A242K240-A244 WeakPolarHBondContact O-CB 3.4Å; K240-A244 PolarHBondContact O-N 3.47Å; L241-A244 PolarHBondContact O-N 3.37Å; L241-A244 VanDerWaalsContact O-N 3.08Å; A242-A244 PolarHBondContact O-N 2.72Å
245Y96.7Very high97.1Very high148 Ų14857 Ų5758%0.5828%0.276SS*.THydrogen-bonded Turntrans-93.711.2179.4-71.9-82.1000114.2F234 L241 A242 R243 H247F234-Y245 HydrophobicContact CZ-CD2 4.35Å; L241-Y245 HydrophobicContact CD1-CD2 3.77Å; L241-Y245 HydrophobicContact CD1-CE2 3.48Å; L241-Y245 VanDerWaalsContact CD1-CE2 3.48Å; L241-Y245 HydrophobicContact CG-CD2 4.02Å; L241-Y245 HydrophobicContact CG-CE2 4.2Å; L241-Y245 WeakPolarHBondContact O-CD2 3.41Å; L241-Y245 PolarHBondContact O-N 3.22Å; A242-Y245 CarbonylContact O-C 3.52Å; A242-Y245 PolarHBondContact O-N 3.32Å; R243-Y245 VanDerWaalsContact C-N 3.28Å; R243-Y245 PolarHBondContact O-N 3.34Å; Y245-H247 PolarHBondContact O-CD2 3.24Å; Y245-H247 PolarHBondContact O-N 2.99Å
246F98.2Very high97.3Very high66 Ų6655.7 Ų55.729%0.28927%0.269SS..THydrogen-bonded Turntrans60.840178.9-64-107000115.2H140 T212 R213 A242 R243H140-F246 PolarHBondContact ND1-O 2.92Å; T212-F246 CarbonylContact C-O 3.58Å; T212-F246 VanDerWaalsContact C-O 3.32Å; R213-F246 HydrophobicContact CG-CB 4.3Å; R213-F246 PolarHBondContact N-O 3.27Å; R213-F246 VanDerWaalsContact NH1-CD1 3.29Å; R213-F246 VanDerWaalsContact NH2-CD1 3.27Å; R213-F246 VanDerWaalsContact NH2-CD2 3.28Å; R213-F246 VanDerWaalsContact NH2-CG 3.31Å; A242-F246 PolarHBondContact O-N 3.39Å; R243-F246 PolarHBondContact O-N 3.47Å; R243-F246 VanDerWaalsContact O-N 3.16Å
247H98.1Very high97.4Very high26 Ų2652.1 Ų52.112%0.1225%0.253CS..  trans-124.5177.3-179.1-71-57.4000112.9H140 D211 T212 E231 T233 F234 A242 Y245 H269H140-H247 AromaticContact CE1-CE1 3.89Å; D211-H247 IonicContact OD2-CE1 2.76Å; D211-H247 PolarHBondContact OD2-CE1 2.88Å; D211-H247 VanDerWaalsContact OD2-CE1 3.27Å; D211-H247 IonicContact OD2-ND1 3Å; T212-H247 CarbonylContact O-C 3.57Å; T212-H247 WeakPolarHBondContact O-CA 3.49Å; E231-H247 WeakPolarHBondContact OE1-CA 3.44Å; E231-H247 IonicContact OE1-CE1 3.83Å; E231-H247 IonicContact OE1-CG 3.15Å; E231-H247 IonicContact OE1-ND1 3.58Å; E231-H247 PolarHBondContact OE1-ND1 2.83Å; E231-H247 WeakPolarHBondContact OE2-CB 3.12Å; E231-H247 IonicContact OE2-CG 3.83Å; E231-H247 IonicContact OE2-ND1 2.74Å; T233-H247 HydrophobicContact CG2-CB 4.47Å; T233-H247 PolarHBondContact OG1-ND1 2.92Å; F234-H247 HydrophobicContact CD2-CB 3.94Å; F234-H247 HydrophobicContact CE2-CB 3.77Å; F234-H247 AromaticContact CE2-CD2 3.88Å; A242-H247 CarbonylContact C-O 3.55Å; A242-H247 WeakPolarHBondContact CB-O 3.32Å; A242-H247 PolarHBondContact O-N 3.47Å; Y245-H247 PolarHBondContact O-CD2 3.24Å; Y245-H247 PolarHBondContact O-N 2.99Å; H247-H269 AromaticContact CE1-CE1 3.64Å
248S98.2Very high97.5Very high0 Ų052.2 Ų52.20%025%0.247CC..  trans-113.2160.7179.2-69.90000113.2T212 F214 E231 T233 F234T212-S248 PolarHBondContact O-N 3.47Å; T212-S248 VanDerWaalsContact O-N 3.17Å; T212-S248 PolarHBondContact O-OG 3.49Å; F214-S248 PolarHBondContact N-OG 3.3Å; E231-S248 PolarHBondContact OE2-N 3.05Å; T233-S248 PolarHBondContact N-O 3.06Å; F234-S248 PolarHBondContact N-O 2.93Å
249T98.1Very high97.7Very high3 Ų355.3 Ų55.32%0.01826%0.262CS..BIsolated β-bridgetrans-102.1164172.360.10000111.7F234 N235 A239 A242 H251 Q252 A253F234-T249 HydrophobicContact CB-CG2 4.25Å; F234-T249 CarbonylContact O-C 3.6Å; F234-T249 WeakPolarHBondContact O-CA 3.45Å; N235-T249 WeakPolarHBondContact O-CB 3.42Å; N235-T249 WeakPolarHBondContact O-CG2 3.47Å; A239-T249 HydrophobicContact CB-CG2 4.2Å; A242-T249 HydrophobicContact CB-CG2 3.73Å; T249-H251 VanDerWaalsContact C-N 3.31Å; T249-H251 PolarHBondContact O-N 3.32Å; T249-Q252 WeakPolarHBondContact O-CB 3.5Å; T249-Q252 PolarHBondContact O-N 3.32Å; T249-Q252 WeakPolarHBondContact OG1-CB 3.4Å; T249-Q252 VanDerWaalsContact OG1-CD 3.28Å; T249-Q252 VanDerWaalsContact OG1-CG 3.25Å; T249-Q252 WeakPolarHBondContact OG1-CG 3.46Å; T249-Q252 PolarHBondContact OG1-N 2.97Å; T249-Q252 PolarHBondContact OG1-OE1 3.15Å; T249-A253 PolarHBondContact O-N 3.41Å
250T97.6Very high97.8Very high0 Ų053.3 Ų53.30%025%0.246CC..Hα-helixtrans-49.5-49.1171.748.30000112.6S232 F234 K236 Q252 A254 L267 L282 E285S232-T250 VanDerWaalsContact OG-CA 3.22Å; S232-T250 WeakPolarHBondContact OG-CA 3.05Å; S232-T250 WeakPolarHBondContact OG-CG2 3.44Å; S232-T250 PolarHBondContact OG-N 3.28Å; S232-T250 VanDerWaalsContact OG-N 3.14Å; F234-T250 PolarHBondContact O-N 3.34Å; F234-T250 VanDerWaalsContact O-N 3.08Å; K236-T250 PolarHBondContact N-OG1 3.03Å; T250-Q252 PolarHBondContact O-N 2.79Å; T250-A254 WeakPolarHBondContact O-CB 3.29Å; T250-A254 PolarHBondContact O-N 2.96Å; T250-L267 HydrophobicContact CG2-CD1 4.35Å; T250-L282 HydrophobicContact CG2-CB 3.74Å; T250-L282 HydrophobicContact CG2-CD2 3.67Å; T250-L282 HydrophobicContact CG2-CG 4.24Å; T250-L282 WeakPolarHBondContact CG2-O 3.41Å; T250-E285 PolarHBondContact OG1-OE2 3.23Å
251H97.7Very high97.9Very high59 Ų5949.3 Ų49.327%0.27323%0.233SC..Hα-helixtrans-62.6-39.5177.6-92.8-148.9000113K236 T249 A254 T255 E285 I289K236-H251 HydrophobicContact CB-CB 4.16Å; K236-H251 VanDerWaalsContact CD-NE2 3.34Å; K236-H251 WeakPolarHBondContact CD-NE2 3.48Å; T249-H251 VanDerWaalsContact C-N 3.31Å; T249-H251 PolarHBondContact O-N 3.32Å; H251-A254 PolarHBondContact O-N 3.39Å; H251-T255 WeakPolarHBondContact O-CB 3.47Å; H251-T255 PolarHBondContact O-N 2.99Å; H251-T255 PolarHBondContact O-OG1 3.05Å; H251-E285 PolarHBondContact CD2-O 3.38Å; H251-E285 VanDerWaalsContact CD2-O 3.29Å; H251-E285 PolarHBondContact NE2-O 3.16Å; H251-I289 HydrophobicContact CB-CD1 3.78Å; H251-I289 VanDerWaalsContact CG-CD1 3.46Å
252Q98.2Very high98Very high44 Ų4447.2 Ų47.221%0.20622%0.223CC..Hα-helixtrans-68.4-45.8-179.2-78.4167.2-36.400111.7F214 T249 T250 A254 T255 I256F214-Q252 HydrophobicContact CB-CB 3.89Å; F214-Q252 HydrophobicContact CB-CG 3.69Å; F214-Q252 HydrophobicContact CD2-CB 3.85Å; F214-Q252 HydrophobicContact CD2-CG 4.01Å; F214-Q252 HydrophobicContact CG-CB 4.15Å; F214-Q252 HydrophobicContact CG-CG 3.91Å; T249-Q252 WeakPolarHBondContact O-CB 3.5Å; T249-Q252 PolarHBondContact O-N 3.32Å; T249-Q252 WeakPolarHBondContact OG1-CB 3.4Å; T249-Q252 VanDerWaalsContact OG1-CD 3.28Å; T249-Q252 VanDerWaalsContact OG1-CG 3.25Å; T249-Q252 WeakPolarHBondContact OG1-CG 3.46Å; T249-Q252 PolarHBondContact OG1-N 2.97Å; T249-Q252 PolarHBondContact OG1-OE1 3.15Å; T250-Q252 PolarHBondContact O-N 2.79Å; Q252-A254 VanDerWaalsContact C-N 3.33Å; Q252-A254 PolarHBondContact O-N 2.76Å; Q252-T255 PolarHBondContact O-N 2.77Å; Q252-I256 WeakPolarHBondContact O-CG1 3.4Å; Q252-I256 PolarHBondContact O-N 3.14Å
253A98.4Very high98.1Very high0 Ų051.8 Ų51.80%024%0.243CC..Hα-helixtrans-60.4-43.3174.600000111.6H230 T249 T255 I256 A257 L265 L267H230-A253 HydrophobicContact CB-CB 4.04Å; T249-A253 PolarHBondContact O-N 3.41Å; A253-T255 VanDerWaalsContact C-N 3.35Å; A253-T255 PolarHBondContact O-N 3.07Å; A253-I256 PolarHBondContact O-N 3.32Å; A253-A257 PolarHBondContact O-N 3.23Å; A253-L265 HydrophobicContact CB-CD2 4.4Å; A253-L267 HydrophobicContact CB-CD2 3.56Å
254A98.6Very high98.2Very high0 Ų045.5 Ų45.50%022%0.221CC..Hα-helixtrans-65.1-36.3176.300000113.3T250 H251 Q252 A257 K258 L265 A286 I289 F290T250-A254 WeakPolarHBondContact O-CB 3.29Å; T250-A254 PolarHBondContact O-N 2.96Å; H251-A254 PolarHBondContact O-N 3.39Å; Q252-A254 VanDerWaalsContact C-N 3.33Å; Q252-A254 PolarHBondContact O-N 2.76Å; A254-A257 PolarHBondContact O-N 2.79Å; A254-K258 WeakPolarHBondContact O-CB 3.22Å; A254-K258 PolarHBondContact O-N 3.06Å; A254-L265 HydrophobicContact CB-CD2 4.17Å; A254-A286 HydrophobicContact CB-CB 4Å; A254-A286 WeakPolarHBondContact CB-O 3.36Å; A254-I289 HydrophobicContact CB-CB 3.74Å; A254-I289 HydrophobicContact CB-CG2 3.91Å; A254-F290 HydrophobicContact CB-CB 4.08Å
255T98.4Very high98.3Very high38 Ų3842.5 Ų42.523%0.23320%0.196CC..Hα-helixtrans-64.1-45.3175.3-58.80000110.6F214 H251 Q252 A253 A257 K258 E259F214-T255 HydrophobicContact CE2-CG2 4.22Å; F214-T255 HydrophobicContact CZ-CG2 4.49Å; H251-T255 WeakPolarHBondContact O-CB 3.47Å; H251-T255 PolarHBondContact O-N 2.99Å; H251-T255 PolarHBondContact O-OG1 3.05Å; Q252-T255 PolarHBondContact O-N 2.77Å; A253-T255 VanDerWaalsContact C-N 3.35Å; A253-T255 PolarHBondContact O-N 3.07Å; T255-A257 VanDerWaalsContact C-N 3.35Å; T255-A257 PolarHBondContact O-N 2.84Å; T255-K258 PolarHBondContact O-N 2.91Å; T255-E259 HydrophobicContact CG2-CG 4.31Å; T255-E259 WeakPolarHBondContact O-CB 3.11Å; T255-E259 WeakPolarHBondContact O-CG 3.18Å; T255-E259 PolarHBondContact O-N 3.32Å
256I98.6Very high98.4Very high0 Ų035.4 Ų35.40%017%0.168CC..Hα-helixtrans-56.8-48.8174.9-70.4165.7000110.5F214 H230 Q252 A253 K258 E259 A260F214-I256 HydrophobicContact CD2-CD1 3.8Å; F214-I256 HydrophobicContact CD2-CG1 3.81Å; F214-I256 HydrophobicContact CE2-CD1 4.27Å; F214-I256 HydrophobicContact CE2-CG1 3.76Å; H230-I256 VanDerWaalsContact NE2-CD1 3.28Å; H230-I256 WeakPolarHBondContact NE2-CD1 3.18Å; Q252-I256 WeakPolarHBondContact O-CG1 3.4Å; Q252-I256 PolarHBondContact O-N 3.14Å; A253-I256 PolarHBondContact O-N 3.32Å; I256-K258 VanDerWaalsContact C-N 3.33Å; I256-K258 PolarHBondContact O-N 3.31Å; I256-E259 PolarHBondContact O-N 3.24Å; I256-A260 WeakPolarHBondContact O-CB 3.46Å; I256-A260 PolarHBondContact O-N 2.91Å
257A98.7Very high98.4Very high0 Ų032.3 Ų32.30%015%0.154CC..Hα-helixtrans-62.5-39.3-179.500000113.6I228 A253 A254 T255 N261 A262 L265 F290I228-A257 HydrophobicContact CD1-CB 4.14Å; A253-A257 PolarHBondContact O-N 3.23Å; A254-A257 PolarHBondContact O-N 2.79Å; T255-A257 VanDerWaalsContact C-N 3.35Å; T255-A257 PolarHBondContact O-N 2.84Å; A257-N261 PolarHBondContact O-N 3.25Å; A257-A262 HydrophobicContact CB-CB 4.3Å; A257-A262 WeakPolarHBondContact O-CB 3.35Å; A257-A262 PolarHBondContact O-N 2.8Å; A257-L265 HydrophobicContact CB-CB 3.94Å; A257-L265 HydrophobicContact CB-CD1 4.22Å; A257-L265 HydrophobicContact CB-CD2 3.86Å; A257-L265 HydrophobicContact CB-CG 4.24Å; A257-F290 HydrophobicContact CB-CD1 3.94Å; A257-F290 HydrophobicContact CB-CD2 4.22Å; A257-F290 HydrophobicContact CB-CE1 4.19Å; A257-F290 HydrophobicContact CB-CE2 4.44Å; A257-F290 HydrophobicContact CB-CG 3.97Å; A257-F290 HydrophobicContact CB-CZ 4.44Å
258K98.6Very high98.4Very high133 Ų13331.9 Ų31.958%0.57815%0.154SC*.Hα-helixtrans-65.7-49.1176.1-176.6-178.9-176.2171.30111.9A254 T255 I256 A260 N261 I289 F290A254-K258 WeakPolarHBondContact O-CB 3.22Å; A254-K258 PolarHBondContact O-N 3.06Å; T255-K258 PolarHBondContact O-N 2.91Å; I256-K258 VanDerWaalsContact C-N 3.33Å; I256-K258 PolarHBondContact O-N 3.31Å; K258-A260 VanDerWaalsContact C-N 3.29Å; K258-A260 PolarHBondContact O-N 3.47Å; K258-N261 PolarHBondContact O-N 3Å; K258-N261 VanDerWaalsContact O-N 3.14Å; K258-I289 HydrophobicContact CB-CG2 4.46Å; K258-I289 HydrophobicContact CD-CG2 4.14Å; K258-F290 HydrophobicContact CB-CD2 4.13Å
259E98.4Very high98.4Very high113 Ų11332 Ų3253%0.52815%0.154SC..Hα-helixtrans-66.3-33.6-179.9-72.4178.6175.200112.3S219 T255 I256 N261S219-E259 WeakPolarHBondContact CB-OE2 3.4Å; S219-E259 PolarHBondContact OG-OE2 2.85Å; T255-E259 HydrophobicContact CG2-CG 4.31Å; T255-E259 WeakPolarHBondContact O-CB 3.11Å; T255-E259 WeakPolarHBondContact O-CG 3.18Å; T255-E259 PolarHBondContact O-N 3.32Å; I256-E259 PolarHBondContact O-N 3.24Å; E259-N261 PolarHBondContact O-N 3.19Å
260A98.4Very high98.3Very high1 Ų131.9 Ų31.91%0.00815%0.154CC..THydrogen-bonded Turntrans-71.9-7.7174.800000113.5S219 A222 K223 D224 I228 I256 K258 A262S219-A260 WeakPolarHBondContact O-CB 3.47Å; A222-A260 HydrophobicContact CB-CB 3.96Å; A222-A260 WeakPolarHBondContact O-CB 3.24Å; K223-A260 CarbonylContact C-O 3.57Å; K223-A260 WeakPolarHBondContact CA-O 3.49Å; D224-A260 PolarHBondContact N-O 3.03Å; I228-A260 HydrophobicContact CD1-CB 3.94Å; I256-A260 WeakPolarHBondContact O-CB 3.46Å; I256-A260 PolarHBondContact O-N 2.91Å; K258-A260 VanDerWaalsContact C-N 3.29Å; K258-A260 PolarHBondContact O-N 3.47Å; A260-A262 PolarHBondContact O-N 3.41Å
261N98.3Very high98.2Very high111 Ų11132.9 Ų32.959%0.59416%0.16SC*.THydrogen-bonded Turntrans54.139-171-172.750000112.2D224 A257 K258 E259D224-N261 PolarHBondContact OD1-ND2 3.31Å; A257-N261 PolarHBondContact O-N 3.25Å; K258-N261 PolarHBondContact O-N 3Å; K258-N261 VanDerWaalsContact O-N 3.14Å; E259-N261 PolarHBondContact O-N 3.19Å
262A98.4Very high97.9Very high8 Ų832.4 Ų32.47%0.06617%0.167CC..  trans-71.2157.9178.100000111.4S225 I228 A257 A260 F290S225-A262 CarbonylContact O-C 3.11Å; S225-A262 WeakPolarHBondContact O-CA 3.35Å; I228-A262 HydrophobicContact CD1-CB 3.44Å; I228-A262 VanDerWaalsContact CD1-CB 3.44Å; I228-A262 HydrophobicContact CG1-CB 3.84Å; A257-A262 HydrophobicContact CB-CB 4.3Å; A257-A262 WeakPolarHBondContact O-CB 3.35Å; A257-A262 PolarHBondContact O-N 2.8Å; A260-A262 PolarHBondContact O-N 3.41Å; A262-F290 HydrophobicContact CB-CZ 4.45Å; A262-F290 WeakPolarHBondContact O-CE2 3.15Å; A262-F290 WeakPolarHBondContact O-CZ 3.41Å
263K98.3Very high97.5Very high97 Ų9736 Ų3642%0.42218%0.178SC..SBendtrans-88.8-36.9177-56.4175.7-166.8157.80112.1S225 D226 N292 S307S225-K263 PolarHBondContact O-N 3.17Å; D226-K263 WeakPolarHBondContact O-CB 3.49Å; D226-K263 WeakPolarHBondContact OD1-CD 3.37Å; D226-K263 WeakPolarHBondContact OD1-CE 3.45Å; D226-K263 IonicContact OD1-NZ 2.72Å; D226-K263 PolarHBondContact OD1-NZ 2.86Å; K263-N292 WeakPolarHBondContact O-CB 3.29Å; K263-N292 PolarHBondContact O-ND2 3.08Å; K263-S307 PolarHBondContact NZ-OG 3.35Å
264K98.6Very high97.2Very high45 Ų4537.1 Ų37.120%0.19618%0.183CC..EExtended strand (participates in β ladder)trans-143.6143.7178.9-176.4161.4178.8160.30112.2D226 V227 I228 M266 Q294 I302D226-K264 PolarHBondContact O-N 3.13Å; V227-K264 WeakPolarHBondContact CA-O 3.33Å; V227-K264 HydrophobicContact CG2-CB 4.36Å; I228-K264 PolarHBondContact N-O 3.4Å; K264-M266 HydrophobicContact CD-SD 4.32Å; K264-M266 WeakPolarHBondContact CE-SD 3.31Å; K264-M266 HydrophobicContact CG-SD 4.33Å; K264-Q294 VanDerWaalsContact NZ-OE1 3.16Å; K264-I302 HydrophobicContact CD-CG2 4.36Å
265L98.8Very high96.6Very high0 Ų042.4 Ų42.40%021%0.21CC..EExtended strand (participates in β ladder)trans-115.3124.8174.2175.960.2000110.4I228 H230 A253 A254 A257 L267 F290 N292 T293 Q294I228-L265 HydrophobicContact CB-CD1 4.11Å; I228-L265 HydrophobicContact CG2-CD1 3.85Å; I228-L265 WeakPolarHBondContact O-CA 3.41Å; H230-L265 HydrophobicContact CB-CD1 3.99Å; A253-L265 HydrophobicContact CB-CD2 4.4Å; A254-L265 HydrophobicContact CB-CD2 4.17Å; A257-L265 HydrophobicContact CB-CB 3.94Å; A257-L265 HydrophobicContact CB-CD1 4.22Å; A257-L265 HydrophobicContact CB-CD2 3.86Å; A257-L265 HydrophobicContact CB-CG 4.24Å; L265-L267 HydrophobicContact CD1-CD2 4.08Å; L265-L267 HydrophobicContact CD2-CD2 3.7Å; L265-L267 HydrophobicContact CD2-CG 4.46Å; L265-L267 HydrophobicContact CG-CD2 3.8Å; L265-L267 HydrophobicContact CG-CG 4.35Å; L265-F290 HydrophobicContact CB-CD1 3.68Å; L265-F290 HydrophobicContact CB-CE1 3.84Å; L265-F290 HydrophobicContact CD2-CD1 4.47Å; L265-N292 PolarHBondContact N-O 2.69Å; L265-T293 HydrophobicContact CB-CG2 4.27Å; L265-T293 HydrophobicContact CD2-CG2 4Å; L265-T293 HydrophobicContact CG-CG2 4.06Å; L265-T293 CarbonylContact O-C 3.35Å; L265-T293 WeakPolarHBondContact O-CA 3.46Å; L265-Q294 PolarHBondContact O-N 2.99Å
266M98.7Very high95.7Very high0 Ų044.8 Ų44.80%023%0.234CC..EExtended strand (participates in β ladder)trans-105.7114.2170.1-60.4-55.3-56.400109.3F5 V227 I228 V229 H230 K264 Q294 A296 I302F5-M266 HydrophobicContact CE2-CB 4.44Å; F5-M266 HydrophobicContact CE2-CE 3.95Å; F5-M266 HydrophobicContact CE2-CG 4.33Å; F5-M266 HydrophobicContact CZ-CB 3.73Å; F5-M266 HydrophobicContact CZ-CE 4.21Å; F5-M266 HydrophobicContact CZ-CG 4.06Å; V227-M266 HydrophobicContact CG1-CG 3.83Å; I228-M266 PolarHBondContact O-N 3.4Å; V229-M266 WeakPolarHBondContact CA-O 3.37Å; V229-M266 HydrophobicContact CG2-CB 4.2Å; H230-M266 PolarHBondContact N-O 2.74Å; K264-M266 HydrophobicContact CD-SD 4.32Å; K264-M266 WeakPolarHBondContact CE-SD 3.31Å; K264-M266 HydrophobicContact CG-SD 4.33Å; M266-Q294 CarbonylContact C-O 3.53Å; M266-Q294 WeakPolarHBondContact CA-O 3.38Å; M266-Q294 HydrophobicContact CE-CB 3.98Å; M266-Q294 HydrophobicContact CE-CG 3.9Å; M266-Q294 HydrophobicContact SD-CB 3.97Å; M266-Q294 HydrophobicContact SD-CG 4.48Å; M266-A296 HydrophobicContact CE-CB 4.03Å; M266-I302 HydrophobicContact CE-CD1 3.65Å; M266-I302 HydrophobicContact CE-CG1 3.75Å; M266-I302 HydrophobicContact CG-CG1 4.45Å; M266-I302 HydrophobicContact SD-CD1 3.91Å; M266-I302 HydrophobicContact SD-CG1 3.91Å; M266-I302 HydrophobicContact SD-CG2 4.47Å
267L98.5Very high94.9Very high0 Ų052.2 Ų52.20%027%0.266CS..EExtended strand (participates in β ladder)trans-87128.1174.6-59-179.4000109.7H230 T250 A253 L265 A286 T293 Q294 I295 A296H230-L267 WeakPolarHBondContact O-CA 3.32Å; T250-L267 HydrophobicContact CG2-CD1 4.35Å; A253-L267 HydrophobicContact CB-CD2 3.56Å; L265-L267 HydrophobicContact CD1-CD2 4.08Å; L265-L267 HydrophobicContact CD2-CD2 3.7Å; L265-L267 HydrophobicContact CD2-CG 4.46Å; L265-L267 HydrophobicContact CG-CD2 3.8Å; L265-L267 HydrophobicContact CG-CG 4.35Å; L267-A286 HydrophobicContact CD1-CB 3.6Å; L267-T293 HydrophobicContact CD1-CG2 3.67Å; L267-T293 HydrophobicContact CD2-CG2 4.38Å; L267-T293 HydrophobicContact CG-CG2 3.68Å; L267-Q294 PolarHBondContact N-O 3.41Å; L267-I295 HydrophobicContact CB-CG1 3.69Å; L267-I295 HydrophobicContact CD1-CD1 4.38Å; L267-I295 HydrophobicContact CD1-CG1 3.88Å; L267-I295 HydrophobicContact CG-CG1 4.34Å; L267-A296 WeakPolarHBondContact O-CB 3.31Å; L267-A296 PolarHBondContact O-N 3.03Å
268T98.4Very high94.3Very high17 Ų1755.5 Ų55.510%0.10428%0.282CS..EExtended strand (participates in β ladder)trans-134.1-171.8178.2-167.20000110.6V229 H230 S232 I270V229-T268 HydrophobicContact CG1-CG2 3.72Å; H230-T268 PolarHBondContact O-N 3.02Å; S232-T268 PolarHBondContact N-O 2.87Å; T268-I270 PolarHBondContact O-N 2.66Å
269H98.2Very high93.8Very high3 Ų349.8 Ų49.81%0.01426%0.259CS..  trans5750.2179-159.6-112.3000111.2T8 A10 S20 D67 H68 D211 E231 T233 H247T8-H269 WeakPolarHBondContact O-CA 3.2Å; T8-H269 PolarHBondContact O-N 3.15Å; T8-H269 VanDerWaalsContact O-N 3.16Å; A10-H269 VanDerWaalsContact CA-CD2 3.5Å; A10-H269 WeakPolarHBondContact CA-CD2 3.41Å; A10-H269 VanDerWaalsContact CA-NE2 3.32Å; A10-H269 WeakPolarHBondContact CA-NE2 3.42Å; A10-H269 VanDerWaalsContact CB-CE1 3.4Å; A10-H269 WeakPolarHBondContact CB-CE1 3.47Å; A10-H269 WeakPolarHBondContact CB-NE2 3.39Å; A10-H269 WeakPolarHBondContact CB-O 3.49Å; S20-H269 PolarHBondContact OG-CD2 3.09Å; S20-H269 VanDerWaalsContact OG-CD2 3.3Å; D67-H269 IonicContact OD2-NE2 3.86Å; H68-H269 AromaticContact NE2-CD2 3.98Å; H68-H269 AromaticContact NE2-NE2 3.6Å; D211-H269 IonicContact OD1-CD2 3.05Å; D211-H269 IonicContact OD1-CE1 3.69Å; D211-H269 PolarHBondContact OD1-CE1 2.9Å; D211-H269 IonicContact OD1-CG 3.49Å; D211-H269 IonicContact OD1-ND1 3.7Å; D211-H269 IonicContact OD1-NE2 3.53Å; D211-H269 IonicContact OD2-CE1 3.47Å; D211-H269 PolarHBondContact OD2-CE1 2.68Å; D211-H269 IonicContact OD2-ND1 2.85Å; D211-H269 IonicContact OD2-NE2 3.64Å; D211-H269 PolarHBondContact OD2-NE2 3.15Å; E231-H269 HydrophobicContact CB-CB 3.76Å; T233-H269 VanDerWaalsContact CA-O 3.25Å; T233-H269 WeakPolarHBondContact CA-O 3.37Å; T233-H269 PolarHBondContact OG1-ND1 3.18Å; T233-H269 PolarHBondContact OG1-O 3Å; H247-H269 AromaticContact CE1-CE1 3.64Å
270I96.5Very high93.4Very high1 Ų150.6 Ų50.61%0.00526%0.261CS..BIsolated β-bridgetrans-83.9129-175-53.5-57.5000109.4T8 A10 S232 T268 A272 Y274 L282 I295T8-I270 PolarHBondContact O-N 3.28Å; A10-I270 PolarHBondContact N-O 3.37Å; A10-I270 VanDerWaalsContact N-O 3.1Å; S232-I270 WeakPolarHBondContact O-CD1 3.4Å; T268-I270 PolarHBondContact O-N 2.66Å; I270-A272 PolarHBondContact O-N 3.19Å; I270-Y274 HydrophobicContact CG2-CD2 4.14Å; I270-L282 HydrophobicContact CG2-CD1 3.87Å; I270-I295 HydrophobicContact CD1-CD1 4.39Å; I270-I295 HydrophobicContact CD1-CG1 4.41Å; I270-I295 HydrophobicContact CG1-CG2 4.23Å
271S94.7Very high93.2Very high20 Ų2054.6 Ų54.614%0.1428%0.279CS..  trans-60.4136.3176.6-177.60000111.5T233 R273 Y274T233-S271 VanDerWaalsContact O-CB 3.27Å; T233-S271 WeakPolarHBondContact O-CB 3.37Å; S271-R273 PolarHBondContact O-N 3.34Å; S271-R273 WeakPolarHBondContact OG-CG 3.21Å; S271-R273 PolarHBondContact OG-NE 3.36Å; S271-R273 VanDerWaalsContact OG-NE 3.15Å; S271-Y274 PolarHBondContact O-N 3.38Å
272A92.2Very high93Very high49 Ų4949.4 Ų49.441%0.40525%0.251SS..THydrogen-bonded Turntrans-59.6-10.4177.500000114.4A14 I270 Y274A14-A272 HydrophobicContact CB-CB 4.09Å; I270-A272 PolarHBondContact O-N 3.19Å; A272-Y274 PolarHBondContact O-N 3.27Å
273R90.6Very high92.9Very high120 Ų12050.6 Ų50.645%0.45326%0.256SS..THydrogen-bonded Turntrans-65.5-24.4172.374.5-176.561.4-165.1-7.7113.2E238 S271E238-R273 IonicContact OE1-NH1 3.5Å; E238-R273 PolarHBondContact OE1-NH1 3.34Å; E238-R273 IonicContact OE2-NH1 3.98Å; S271-R273 PolarHBondContact O-N 3.34Å; S271-R273 WeakPolarHBondContact OG-CG 3.21Å; S271-R273 PolarHBondContact OG-NE 3.36Å; S271-R273 VanDerWaalsContact OG-NE 3.15Å
274Y90.7Very high92.9Very high23 Ų2350.2 Ų50.29%0.0926%0.255CS..  trans-94.7105.8-177.1-60.1-64.8000109.7T233 N235 E238 I270 S271 A272 E278 L282T233-Y274 WeakPolarHBondContact O-CE2 3.44Å; N235-Y274 HydrophobicContact CB-CE1 4.29Å; N235-Y274 WeakPolarHBondContact CB-OH 3.16Å; N235-Y274 VanDerWaalsContact CG-OH 3.3Å; N235-Y274 PolarHBondContact N-OH 3.18Å; N235-Y274 PolarHBondContact ND2-OH 2.98Å; N235-Y274 VanDerWaalsContact ND2-OH 3.1Å; E238-Y274 PolarHBondContact OE2-OH 3.17Å; I270-Y274 HydrophobicContact CG2-CD2 4.14Å; S271-Y274 PolarHBondContact O-N 3.38Å; A272-Y274 PolarHBondContact O-N 3.27Å; Y274-E278 HydrophobicContact CD1-CB 3.8Å; Y274-E278 HydrophobicContact CD1-CG 4.48Å; Y274-E278 HydrophobicContact CG-CB 4.48Å; Y274-L282 HydrophobicContact CD1-CD1 4.25Å; Y274-L282 HydrophobicContact CD1-CD2 4.45Å; Y274-L282 HydrophobicContact CD1-CG 4.5Å; Y274-L282 HydrophobicContact CD2-CD1 3.79Å; Y274-L282 HydrophobicContact CE1-CD2 4.21Å; Y274-L282 HydrophobicContact CE2-CD1 4.3Å; Y274-L282 HydrophobicContact CE2-CD2 4.46Å; Y274-L282 HydrophobicContact CG-CD1 3.75Å; Y274-L282 HydrophobicContact CG-CG 4.47Å
275L85.7Confident92.8Very high111 Ų11149.1 Ų49.158%0.58125%0.251SS*.  trans-76.5178.9174.8-51.2174.1000109.6K277 E278 A279L275-K277 PolarHBondContact O-N 2.74Å; L275-K277 VanDerWaalsContact O-N 3.07Å; L275-E278 VanDerWaalsContact CA-OE2 3.23Å; L275-E278 WeakPolarHBondContact CA-OE2 3.46Å; L275-E278 WeakPolarHBondContact CB-OE2 3.25Å; L275-E278 PolarHBondContact N-OE2 3.33Å; L275-E278 PolarHBondContact O-N 2.89Å; L275-E278 VanDerWaalsContact O-N 3.13Å; L275-A279 WeakPolarHBondContact O-CB 3.47Å; L275-A279 PolarHBondContact O-N 3.04Å
276A80Confident92.7Very high88 Ų8849.1 Ų49.173%0.72725%0.251SS*.Hα-helixtrans-55.9-32.2-172.800000114K280A276-K280 PolarHBondContact O-N 3.37Å
277K81.7Confident92.7Very high157 Ų15753.9 Ų53.968%0.68327%0.269SS*.Hα-helixtrans-72.6-50.7177.1-172.3-173.4170.6-166.30111L275 A279 K280 E281L275-K277 PolarHBondContact O-N 2.74Å; L275-K277 VanDerWaalsContact O-N 3.07Å; K277-A279 PolarHBondContact O-N 2.82Å; K277-K280 WeakPolarHBondContact O-CB 3.28Å; K277-K280 PolarHBondContact O-N 3.42Å; K277-K280 VanDerWaalsContact O-N 3.08Å; K277-E281 PolarHBondContact O-N 3.41Å
278E87.5Confident92.7Very high69 Ų6959.7 Ų59.732%0.32230%0.3SS..Hα-helixtrans-64.9-31.3178.6-59.498.3162.100111.6Y274 L275 K280 E281 L282Y274-E278 HydrophobicContact CD1-CB 3.8Å; Y274-E278 HydrophobicContact CD1-CG 4.48Å; Y274-E278 HydrophobicContact CG-CB 4.48Å; L275-E278 VanDerWaalsContact CA-OE2 3.23Å; L275-E278 WeakPolarHBondContact CA-OE2 3.46Å; L275-E278 WeakPolarHBondContact CB-OE2 3.25Å; L275-E278 PolarHBondContact N-OE2 3.33Å; L275-E278 PolarHBondContact O-N 2.89Å; L275-E278 VanDerWaalsContact O-N 3.13Å; E278-K280 PolarHBondContact O-N 2.78Å; E278-E281 WeakPolarHBondContact O-CB 3.32Å; E278-E281 PolarHBondContact O-N 3.45Å; E278-E281 VanDerWaalsContact O-N 3.08Å; E278-L282 WeakPolarHBondContact O-CG 3.42Å; E278-L282 PolarHBondContact O-N 3.41Å
279A86.6Confident92.7Very high12 Ų1260.7 Ų60.710%0.09930%0.304CS..Hα-helixtrans-60.2-32.9174.300000112.5L275 K277 E283 I295L275-A279 WeakPolarHBondContact O-CB 3.47Å; L275-A279 PolarHBondContact O-N 3.04Å; K277-A279 PolarHBondContact O-N 2.82Å; A279-E283 PolarHBondContact O-N 3.22Å; A279-I295 WeakPolarHBondContact O-CD1 3.44Å
280K90.5Very high92.7Very high131 Ų13161.6 Ų61.657%0.5731%0.308SS*.Hα-helixtrans-70.3-39.6174.1-169-176.9177.5-158.40111.5A276 K277 E278 L282 E283 E284A276-K280 PolarHBondContact O-N 3.37Å; K277-K280 WeakPolarHBondContact O-CB 3.28Å; K277-K280 PolarHBondContact O-N 3.42Å; K277-K280 VanDerWaalsContact O-N 3.08Å; E278-K280 PolarHBondContact O-N 2.78Å; K280-L282 VanDerWaalsContact C-N 3.33Å; K280-L282 PolarHBondContact O-N 2.77Å; K280-E283 PolarHBondContact O-N 2.95Å; K280-E284 WeakPolarHBondContact CE-OE1 3.43Å; K280-E284 IonicContact NZ-OE1 3.55Å; K280-E284 WeakPolarHBondContact O-CG 3.34Å; K280-E284 PolarHBondContact O-N 3.15Å
281E94.3Very high92.8Very high84 Ų8466.4 Ų66.439%0.39334%0.339SS..Hα-helixtrans-62.2-42.2176.6-63.5169.7-174.900110.6K277 E278 E283 E284 E285K277-E281 PolarHBondContact O-N 3.41Å; E278-E281 WeakPolarHBondContact O-CB 3.32Å; E278-E281 PolarHBondContact O-N 3.45Å; E278-E281 VanDerWaalsContact O-N 3.08Å; E281-E283 VanDerWaalsContact C-N 3.31Å; E281-E283 PolarHBondContact O-N 2.98Å; E281-E284 PolarHBondContact O-N 3.06Å; E281-E285 VanDerWaalsContact O-CG 3.28Å; E281-E285 WeakPolarHBondContact O-CG 3.4Å; E281-E285 PolarHBondContact O-N 2.89Å
282L95Very high93Very high2 Ų269.3 Ų69.31%0.0135%0.353CS..Hα-helixtrans-56.8-41.8174-67.5179000112.8N235 T250 I270 Y274 E278 K280 A286 I295N235-L282 HydrophobicContact CB-CD2 3.39Å; T250-L282 HydrophobicContact CG2-CB 3.74Å; T250-L282 HydrophobicContact CG2-CD2 3.67Å; T250-L282 HydrophobicContact CG2-CG 4.24Å; T250-L282 WeakPolarHBondContact CG2-O 3.41Å; I270-L282 HydrophobicContact CG2-CD1 3.87Å; Y274-L282 HydrophobicContact CD1-CD1 4.25Å; Y274-L282 HydrophobicContact CD1-CD2 4.45Å; Y274-L282 HydrophobicContact CD1-CG 4.5Å; Y274-L282 HydrophobicContact CD2-CD1 3.79Å; Y274-L282 HydrophobicContact CE1-CD2 4.21Å; Y274-L282 HydrophobicContact CE2-CD1 4.3Å; Y274-L282 HydrophobicContact CE2-CD2 4.46Å; Y274-L282 HydrophobicContact CG-CD1 3.75Å; Y274-L282 HydrophobicContact CG-CG 4.47Å; E278-L282 WeakPolarHBondContact O-CG 3.42Å; E278-L282 PolarHBondContact O-N 3.41Å; K280-L282 VanDerWaalsContact C-N 3.33Å; K280-L282 PolarHBondContact O-N 2.77Å; L282-A286 PolarHBondContact O-N 3.44Å; L282-I295 HydrophobicContact CB-CD1 3.37Å; L282-I295 HydrophobicContact CD1-CD1 4.23Å; L282-I295 HydrophobicContact CG-CD1 4.45Å
283E96.5Very high93.3Very high34 Ų3467 Ų6716%0.15933%0.334CS..Hα-helixtrans-67.4-43.1177.9-175.817311500111.3A279 K280 E281 A286 R287 I295A279-E283 PolarHBondContact O-N 3.22Å; K280-E283 PolarHBondContact O-N 2.95Å; E281-E283 VanDerWaalsContact C-N 3.31Å; E281-E283 PolarHBondContact O-N 2.98Å; E283-A286 PolarHBondContact O-N 3.44Å; E283-R287 WeakPolarHBondContact O-CG 3.36Å; E283-R287 PolarHBondContact O-N 3.47Å; E283-R287 IonicContact OE1-CZ 3.59Å; E283-R287 IonicContact OE1-NE 3.81Å; E283-R287 IonicContact OE1-NH1 2.66Å; E283-R287 PolarHBondContact OE1-NH1 2.76Å; E283-R287 IonicContact OE1-NH2 2.92Å; E283-R287 PolarHBondContact OE1-NH2 3.05Å; E283-I295 HydrophobicContact CB-CB 4.47Å; E283-I295 HydrophobicContact CB-CD1 3.95Å; E283-I295 HydrophobicContact CB-CG1 4.17Å; E283-I295 PolarHBondContact OE2-N 2.8Å
284E96.9Very high93.7Very high88 Ų8863.6 Ų63.641%0.41132%0.324SS..Hα-helixtrans-61.7-44177.4-71.6172.7179.300111.3K280 E281 A286 R287 D288K280-E284 WeakPolarHBondContact CE-OE1 3.43Å; K280-E284 IonicContact NZ-OE1 3.55Å; K280-E284 WeakPolarHBondContact O-CG 3.34Å; K280-E284 PolarHBondContact O-N 3.15Å; E281-E284 PolarHBondContact O-N 3.06Å; E284-A286 VanDerWaalsContact C-N 3.32Å; E284-A286 PolarHBondContact O-N 2.93Å; E284-R287 PolarHBondContact O-N 3.01Å; E284-R287 VanDerWaalsContact O-N 3.13Å; E284-D288 PolarHBondContact O-N 3.25Å; E284-D288 VanDerWaalsContact O-N 3.08Å
285E96.5Very high94Very high23 Ų2362.7 Ų62.711%0.10732%0.32CS..Hα-helixtrans-58.5-40.9175.8-70.3179.3170.100113.1K236 T250 H251 E281K236-E285 HydrophobicContact CD-CB 4.18Å; K236-E285 HydrophobicContact CD-CG 3.73Å; K236-E285 WeakPolarHBondContact CE-OE1 3.37Å; K236-E285 HydrophobicContact CG-CG 4.28Å; K236-E285 WeakPolarHBondContact CG-OE2 3.2Å; K236-E285 PolarHBondContact N-OE2 3.05Å; T250-E285 PolarHBondContact OG1-OE2 3.23Å; H251-E285 PolarHBondContact CD2-O 3.38Å; H251-E285 VanDerWaalsContact CD2-O 3.29Å; H251-E285 PolarHBondContact NE2-O 3.16Å; E281-E285 VanDerWaalsContact O-CG 3.28Å; E281-E285 WeakPolarHBondContact O-CG 3.4Å; E281-E285 PolarHBondContact O-N 2.89Å
286A98Very high94.5Very high0 Ų057.4 Ų57.40%029%0.293CS..Hα-helixtrans-71.8-36177.200000111.9A254 L267 L282 E283 E284 D288 I289 F290 T293A254-A286 HydrophobicContact CB-CB 4Å; A254-A286 WeakPolarHBondContact CB-O 3.36Å; L267-A286 HydrophobicContact CD1-CB 3.6Å; L282-A286 PolarHBondContact O-N 3.44Å; E283-A286 PolarHBondContact O-N 3.44Å; E284-A286 VanDerWaalsContact C-N 3.32Å; E284-A286 PolarHBondContact O-N 2.93Å; A286-D288 VanDerWaalsContact C-N 3.26Å; A286-D288 PolarHBondContact O-N 2.89Å; A286-I289 PolarHBondContact O-N 2.85Å; A286-I289 VanDerWaalsContact O-N 3.08Å; A286-F290 PolarHBondContact O-N 3.42Å; A286-T293 HydrophobicContact CB-CG2 3.7Å
287R98.5Very high95.3Very high100 Ų10059.3 Ų59.338%0.37728%0.284SS..Hα-helixtrans-64.4-27.1176.4-76.7-174.6172.5141.29.3113.8E283 E284 I289 F290 P291 T293E283-R287 WeakPolarHBondContact O-CG 3.36Å; E283-R287 PolarHBondContact O-N 3.47Å; E283-R287 IonicContact OE1-CZ 3.59Å; E283-R287 IonicContact OE1-NE 3.81Å; E283-R287 IonicContact OE1-NH1 2.66Å; E283-R287 PolarHBondContact OE1-NH1 2.76Å; E283-R287 IonicContact OE1-NH2 2.92Å; E283-R287 PolarHBondContact OE1-NH2 3.05Å; E284-R287 PolarHBondContact O-N 3.01Å; E284-R287 VanDerWaalsContact O-N 3.13Å; R287-I289 PolarHBondContact O-N 3.31Å; R287-F290 WeakPolarHBondContact CA-O 3.49Å; R287-F290 CarbonylContact O-C 3.5Å; R287-P291 WeakPolarHBondContact CG-O 3.42Å; R287-T293 VanDerWaalsContact CZ-O 3.27Å; R287-T293 PolarHBondContact NE-O 2.98Å; R287-T293 PolarHBondContact NH2-O 2.89Å
288D98.1Very high96.1Very high122 Ų12252.9 Ų52.965%0.65226%0.257SS*.THydrogen-bonded Turntrans-58.9-28.5172.3-70.9-21.8000112.2E284 A286E284-D288 PolarHBondContact O-N 3.25Å; E284-D288 VanDerWaalsContact O-N 3.08Å; A286-D288 VanDerWaalsContact C-N 3.26Å; A286-D288 PolarHBondContact O-N 2.89Å
289I98.4Very high96.6Very high38 Ų3852.1 Ų52.120%0.19525%0.253CS..THydrogen-bonded Turntrans-99.9-45.2178.7-62.5-179.2000111.5H251 A254 K258 A286 R287H251-I289 HydrophobicContact CB-CD1 3.78Å; H251-I289 VanDerWaalsContact CG-CD1 3.46Å; A254-I289 HydrophobicContact CB-CB 3.74Å; A254-I289 HydrophobicContact CB-CG2 3.91Å; K258-I289 HydrophobicContact CB-CG2 4.46Å; K258-I289 HydrophobicContact CD-CG2 4.14Å; A286-I289 PolarHBondContact O-N 2.85Å; A286-I289 VanDerWaalsContact O-N 3.08Å; R287-I289 PolarHBondContact O-N 3.31Å
290F98.7Very high97.2Very high22 Ų2253.2 Ų53.210%0.09626%0.258CS..  trans-132.397.4-177.1-172-103.5000110.3A254 A257 K258 A262 L265 A286 R287 N292 T293A254-F290 HydrophobicContact CB-CB 4.08Å; A257-F290 HydrophobicContact CB-CD1 3.94Å; A257-F290 HydrophobicContact CB-CD2 4.22Å; A257-F290 HydrophobicContact CB-CE1 4.19Å; A257-F290 HydrophobicContact CB-CE2 4.44Å; A257-F290 HydrophobicContact CB-CG 3.97Å; A257-F290 HydrophobicContact CB-CZ 4.44Å; K258-F290 HydrophobicContact CB-CD2 4.13Å; A262-F290 HydrophobicContact CB-CZ 4.45Å; A262-F290 WeakPolarHBondContact O-CE2 3.15Å; A262-F290 WeakPolarHBondContact O-CZ 3.41Å; L265-F290 HydrophobicContact CB-CD1 3.68Å; L265-F290 HydrophobicContact CB-CE1 3.84Å; L265-F290 HydrophobicContact CD2-CD1 4.47Å; A286-F290 PolarHBondContact O-N 3.42Å; R287-F290 WeakPolarHBondContact CA-O 3.49Å; R287-F290 CarbonylContact O-C 3.5Å; F290-N292 VanDerWaalsContact C-N 3.31Å; F290-N292 HydrophobicContact CE1-CB 4.06Å; F290-N292 WeakPolarHBondContact CE1-O 3.33Å; F290-N292 HydrophobicContact CZ-CB 4.45Å; F290-N292 PolarHBondContact O-N 2.93Å; F290-T293 WeakPolarHBondContact CD1-OG1 3.49Å; F290-T293 WeakPolarHBondContact O-CB 3.43Å; F290-T293 PolarHBondContact O-N 2.88Å; F290-T293 PolarHBondContact O-OG1 3.08Å
291P98.6Very high97.6Very high101 Ų10151 Ų5166%0.65625%0.251SS*.SBendtrans-58-34.5-168.8-3036.2000115.5R287 T293R287-P291 WeakPolarHBondContact CG-O 3.42Å; P291-T293 PolarHBondContact O-N 2.86Å
292N98.5Very high97.7Very high81 Ų8147.6 Ų47.643%0.43324%0.235SC..SBendtrans-85.255.2178.6-161.712.3000112.1K263 L265 F290K263-N292 WeakPolarHBondContact O-CB 3.29Å; K263-N292 PolarHBondContact O-ND2 3.08Å; L265-N292 PolarHBondContact N-O 2.69Å; F290-N292 VanDerWaalsContact C-N 3.31Å; F290-N292 HydrophobicContact CE1-CB 4.06Å; F290-N292 WeakPolarHBondContact CE1-O 3.33Å; F290-N292 HydrophobicContact CZ-CB 4.45Å; F290-N292 PolarHBondContact O-N 2.93Å
293T98.7Very high97.9Very high1 Ų152.8 Ų52.81%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-108145176.3-59.50000111.3L265 L267 A286 R287 F290 P291L265-T293 HydrophobicContact CB-CG2 4.27Å; L265-T293 HydrophobicContact CD2-CG2 4Å; L265-T293 HydrophobicContact CG-CG2 4.06Å; L265-T293 CarbonylContact O-C 3.35Å; L265-T293 WeakPolarHBondContact O-CA 3.46Å; L267-T293 HydrophobicContact CD1-CG2 3.67Å; L267-T293 HydrophobicContact CD2-CG2 4.38Å; L267-T293 HydrophobicContact CG-CG2 3.68Å; A286-T293 HydrophobicContact CB-CG2 3.7Å; R287-T293 VanDerWaalsContact CZ-O 3.27Å; R287-T293 PolarHBondContact NE-O 2.98Å; R287-T293 PolarHBondContact NH2-O 2.89Å; F290-T293 WeakPolarHBondContact CD1-OG1 3.49Å; F290-T293 WeakPolarHBondContact O-CB 3.43Å; F290-T293 PolarHBondContact O-N 2.88Å; F290-T293 PolarHBondContact O-OG1 3.08Å; P291-T293 PolarHBondContact O-N 2.86Å
294Q97.9Very high97.9Very high49 Ų4951.3 Ų51.323%0.22926%0.256CS..EExtended strand (participates in β ladder)trans-140.9138.2171.2177.8179.9-16.300110K264 L265 M266 L267 A296 D300K264-Q294 VanDerWaalsContact NZ-OE1 3.16Å; L265-Q294 PolarHBondContact O-N 2.99Å; M266-Q294 CarbonylContact C-O 3.53Å; M266-Q294 WeakPolarHBondContact CA-O 3.38Å; M266-Q294 HydrophobicContact CE-CB 3.98Å; M266-Q294 HydrophobicContact CE-CG 3.9Å; M266-Q294 HydrophobicContact SD-CB 3.97Å; M266-Q294 HydrophobicContact SD-CG 4.48Å; L267-Q294 PolarHBondContact N-O 3.41Å; Q294-A296 PolarHBondContact O-N 3.01Å; Q294-D300 PolarHBondContact NE2-OD2 3.37Å
295I96.9Very high97.9Very high4 Ų451.5 Ų51.52%0.02127%0.265CS..EExtended strand (participates in β ladder)trans-79119.1165.2-83171.3000108.7R17 L267 I270 A279 L282 E283R17-I295 VanDerWaalsContact NH2-CG2 3.3Å; L267-I295 HydrophobicContact CB-CG1 3.69Å; L267-I295 HydrophobicContact CD1-CD1 4.38Å; L267-I295 HydrophobicContact CD1-CG1 3.88Å; L267-I295 HydrophobicContact CG-CG1 4.34Å; I270-I295 HydrophobicContact CD1-CD1 4.39Å; I270-I295 HydrophobicContact CD1-CG1 4.41Å; I270-I295 HydrophobicContact CG1-CG2 4.23Å; A279-I295 WeakPolarHBondContact O-CD1 3.44Å; L282-I295 HydrophobicContact CB-CD1 3.37Å; L282-I295 HydrophobicContact CD1-CD1 4.23Å; L282-I295 HydrophobicContact CG-CD1 4.45Å; E283-I295 HydrophobicContact CB-CB 4.47Å; E283-I295 HydrophobicContact CB-CD1 3.95Å; E283-I295 HydrophobicContact CB-CG1 4.17Å; E283-I295 PolarHBondContact OE2-N 2.8Å
296A97.5Very high97.6Very high0 Ų053.5 Ų53.50%027%0.274CS..  trans-62.2143.217400000110F5 T8 R17 M266 L267 Q294F5-A296 HydrophobicContact CD1-CB 3.47Å; F5-A296 VanDerWaalsContact CD1-CB 3.47Å; F5-A296 HydrophobicContact CD2-CB 3.96Å; F5-A296 HydrophobicContact CE1-CB 3.46Å; F5-A296 VanDerWaalsContact CE1-CB 3.46Å; F5-A296 HydrophobicContact CE2-CB 3.98Å; F5-A296 HydrophobicContact CG-CB 3.73Å; F5-A296 HydrophobicContact CZ-CB 3.74Å; T8-A296 HydrophobicContact CG2-CB 3.85Å; R17-A296 PolarHBondContact NH1-O 3.31Å; M266-A296 HydrophobicContact CE-CB 4.03Å; L267-A296 WeakPolarHBondContact O-CB 3.31Å; L267-A296 PolarHBondContact O-N 3.03Å; Q294-A296 PolarHBondContact O-N 3.01Å
297K96.8Very high96.8Very high127 Ų12759.5 Ų59.555%0.55232%0.316SS*.  trans-117.3158.4166.6-60.8168.3-170.5165.50108.6F5 F299 D300F5-K297 WeakPolarHBondContact CB-O 3.16Å; K297-F299 PolarHBondContact O-N 2.73Å; K297-D300 PolarHBondContact N-OD2 3.22Å; K297-D300 WeakPolarHBondContact O-CB 3.47Å; K297-D300 PolarHBondContact O-N 3.18Å
298D97.9Very high96.7Very high22 Ų2257.5 Ų57.512%0.11831%0.313CS..THydrogen-bonded Turntrans-54132.2169-68.318.6000109.2G7 T8 R17 N18 Q45 D300G7-D298 WeakPolarHBondContact CA-OD1 3.3Å; T8-D298 PolarHBondContact N-OD1 3.49Å; T8-D298 PolarHBondContact OG1-OD1 3.27Å; R17-D298 WeakPolarHBondContact CA-OD2 3.29Å; N18-D298 PolarHBondContact N-OD2 3.32Å; Q45-D298 PolarHBondContact NE2-OD2 2.95Å; D298-D300 VanDerWaalsContact C-N 3.3Å; D298-D300 PolarHBondContact O-N 3.05Å
299F98.4Very high96.6Very high54 Ų5454.1 Ų54.124%0.23730%0.295CS..THydrogen-bonded Turntrans70.29.4-176.1-41.4-69.1000116.5F5 Q45 R48 T49 K297 I301F5-F299 WeakPolarHBondContact O-CA 3.39Å; F5-F299 PolarHBondContact O-N 3.16Å; Q45-F299 HydrophobicContact CB-CE1 4.18Å; Q45-F299 HydrophobicContact CB-CZ 4.38Å; R48-F299 HydrophobicContact CB-CE1 3.86Å; R48-F299 HydrophobicContact CB-CZ 4.03Å; R48-F299 HydrophobicContact CG-CZ 4.46Å; R48-F299 VanDerWaalsContact CZ-CZ 3.41Å; R48-F299 VanDerWaalsContact NH1-CE2 3.28Å; T49-F299 HydrophobicContact CG2-CD1 3.75Å; T49-F299 HydrophobicContact CG2-CE1 4.02Å; K297-F299 PolarHBondContact O-N 2.73Å; F299-I301 PolarHBondContact O-N 2.77Å
300D98.3Very high96.5Very high35 Ų3555 Ų5519%0.18730%0.3CS..  trans-61.4132.1166.7-81.7-5.7000109.4E4 F5 Q294 K297 D298E4-D300 WeakPolarHBondContact CA-O 3.23Å; F5-D300 HydrophobicContact CD2-CB 4.22Å; F5-D300 PolarHBondContact N-O 3.26Å; Q294-D300 PolarHBondContact NE2-OD2 3.37Å; K297-D300 PolarHBondContact N-OD2 3.22Å; K297-D300 WeakPolarHBondContact O-CB 3.47Å; K297-D300 PolarHBondContact O-N 3.18Å; D298-D300 VanDerWaalsContact C-N 3.3Å; D298-D300 PolarHBondContact O-N 3.05Å
301I98.5Very high96.4Very high85 Ų8556.9 Ų56.944%0.43631%0.312SS..EExtended strand (participates in β ladder)trans-110.5127.4172.7-59.3174.6000108.1E2 L3 E4 F299E2-I301 HydrophobicContact CB-CG2 4.22Å; L3-I301 CarbonylContact O-C 3.59Å; L3-I301 VanDerWaalsContact O-CA 3.26Å; L3-I301 WeakPolarHBondContact O-CA 3.34Å; E4-I301 HydrophobicContact CB-CG1 4.25Å; E4-I301 HydrophobicContact CG-CG1 3.89Å; F299-I301 PolarHBondContact O-N 2.77Å
302I98.2Very high96.3Very high11 Ų1154.2 Ų54.26%0.05629%0.291CS..EExtended strand (participates in β ladder)trans-120.6111.7179.9-50.3-62.8000108.9E2 L3 F5 K264 M266E2-I302 CarbonylContact C-O 3.49Å; E2-I302 WeakPolarHBondContact CA-O 3.41Å; L3-I302 HydrophobicContact CB-CB 4.29Å; L3-I302 PolarHBondContact N-O 3.4Å; L3-I302 PolarHBondContact O-N 3.45Å; F5-I302 HydrophobicContact CE2-CG1 3.97Å; K264-I302 HydrophobicContact CD-CG2 4.36Å; M266-I302 HydrophobicContact CE-CD1 3.65Å; M266-I302 HydrophobicContact CE-CG1 3.75Å; M266-I302 HydrophobicContact CG-CG1 4.45Å; M266-I302 HydrophobicContact SD-CD1 3.91Å; M266-I302 HydrophobicContact SD-CG1 3.91Å; M266-I302 HydrophobicContact SD-CG2 4.47Å
303D97.8Very high96.1Very high111 Ų11152.4 Ų52.459%0.59428%0.281SS*.EExtended strand (participates in β ladder)trans-71.3139172.4-62.7-38.6000110.8E2 P305E2-D303 WeakPolarHBondContact CG-OD1 3.39Å; D303-P305 WeakPolarHBondContact O-CD 3.45Å
304I98Very high95.9Very high4 Ų456.1 Ų56.12%0.02130%0.301CS..  trans-116.391.1175.4-47.9-172.8000107.5M1 L3 R204 V206 D226 V227M1-I304 HydrophobicContact CB-CB 4.44Å; M1-I304 HydrophobicContact CG-CB 4.34Å; M1-I304 HydrophobicContact CG-CD1 4.35Å; M1-I304 PolarHBondContact O-N 3.07Å; M1-I304 HydrophobicContact SD-CB 4.35Å; M1-I304 HydrophobicContact SD-CD1 4.17Å; M1-I304 HydrophobicContact SD-CG2 4.46Å; L3-I304 HydrophobicContact CD1-CD1 3.97Å; L3-I304 HydrophobicContact CG-CD1 3.95Å; R204-I304 HydrophobicContact CB-CG2 4.13Å; R204-I304 WeakPolarHBondContact CD-O 3.41Å; R204-I304 HydrophobicContact CG-CG2 4.1Å; R204-I304 PolarHBondContact NH1-O 3.1Å; R204-I304 VanDerWaalsContact NH1-O 3.13Å; V206-I304 HydrophobicContact CG1-CD1 4.39Å; V206-I304 HydrophobicContact CG2-CD1 3.34Å; D226-I304 HydrophobicContact CB-CG2 3.83Å; V227-I304 HydrophobicContact CB-CD1 4.13Å; V227-I304 HydrophobicContact CG2-CD1 3.74Å; V227-I304 HydrophobicContact CG2-CG1 3.85Å; V227-I304 HydrophobicContact CG2-CG2 4.28Å
305P95Very high95.8Very high92 Ų9256.6 Ų56.660%0.59731%0.307SS*.  trans-74159.2178.931.6-34.9000110.8D303D303-P305 WeakPolarHBondContact O-CD 3.45Å
306F90.5Very high95.7Very high64 Ų6461 Ų6128%0.28133%0.331SS..  trans-63.3146162.6-70.8-76.1000109.6E151 H154 K201 M202 R204E151-F306 WeakPolarHBondContact OE2-CE1 3.48Å; H154-F306 AromaticContact CD2-CE1 3.46Å; H154-F306 VanDerWaalsContact CD2-CE1 3.46Å; H154-F306 WeakPolarHBondContact CD2-CE1 3.23Å; H154-F306 AromaticContact CD2-CZ 3.62Å; H154-F306 AromaticContact CE1-CZ 3.67Å; H154-F306 AromaticContact NE2-CE1 3.59Å; H154-F306 AromaticContact NE2-CZ 3.32Å; H154-F306 VanDerWaalsContact NE2-CZ 3.32Å; H154-F306 WeakPolarHBondContact NE2-CZ 3.32Å; K201-F306 HydrophobicContact CB-CD1 4.2Å; K201-F306 HydrophobicContact CD-CB 4.14Å; K201-F306 HydrophobicContact CD-CG 4.16Å; M202-F306 WeakPolarHBondContact O-CD1 3.32Å; R204-F306 HydrophobicContact CG-CD1 4.13Å; R204-F306 HydrophobicContact CG-CE1 4.3Å
307S81.5Confident95.5Very high127 Ų12766.5 Ų66.589%0.88836%0.361SS*.  trans-77.70169.6-60.80000112.9K263K263-S307 PolarHBondContact NZ-OG 3.35Å

Retrieved 307 of 307 residues in 287.5 ms (Link to these results)

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