A0A077ZFB8_TRITR Loading...

ADH zinc N and ADH N domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZFB8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 372 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
1M96.3Very high98.2Very high89 Ų8961.2 Ų61.244%0.43828%0.276SS..  0134.6069.8170.6-75.300107.2I3 E21 L22 L31 Y142M1-I3 HydrophobicContact CE-CG2 3.9Å; M1-I3 HydrophobicContact CG-CG2 4.13Å; M1-I3 HydrophobicContact SD-CG2 4.47Å; M1-E21 VanDerWaalsContact C-OE2 3.25Å; M1-E21 PolarHBondContact N-OE2 3.28Å; M1-E21 VanDerWaalsContact N-OE2 3.1Å; M1-L22 HydrophobicContact CG-CB 3.8Å; M1-L22 HydrophobicContact CG-CD2 4.11Å; M1-L22 HydrophobicContact CG-CG 4.44Å; M1-L22 PolarHBondContact N-O 2.9Å; M1-L22 PolarHBondContact O-N 2.79Å; M1-L22 HydrophobicContact SD-CD2 4.14Å; M1-L31 HydrophobicContact SD-CD1 4.22Å; M1-L31 HydrophobicContact SD-CD2 3.89Å; M1-Y142 HydrophobicContact CE-CD1 4.32Å; M1-Y142 HydrophobicContact CE-CD2 3.99Å; M1-Y142 HydrophobicContact CE-CE1 4.38Å; M1-Y142 HydrophobicContact CE-CE2 4.08Å; M1-Y142 HydrophobicContact CE-CG 4.13Å
2K97.9Very high98.1Very high105 Ų10558.8 Ų58.846%0.45728%0.281SS..EExtended strand (participates in β ladder)trans-72.9128.8-179.7-71.5178.4164.3-1320111E19 L20 E21K2-E19 HydrophobicContact CB-CG 4.07Å; K2-E19 WeakPolarHBondContact CD-OE1 3.14Å; K2-E19 WeakPolarHBondContact CE-OE1 3.31Å; K2-E19 HydrophobicContact CG-CG 4.28Å; K2-E19 IonicContact NZ-OE1 2.79Å; K2-E19 PolarHBondContact NZ-OE1 3.36Å; K2-L20 WeakPolarHBondContact CA-O 3.05Å; K2-E21 WeakPolarHBondContact CE-OE1 3.47Å; K2-E21 WeakPolarHBondContact CG-OE1 3.39Å
3I98.4Very high98.1Very high5 Ų555.6 Ų55.63%0.02627%0.27CS..EExtended strand (participates in β ladder)trans-135.5159.4179.657.9160.2000109.6M1 E19 L20 L22 L122 S140 Y142M1-I3 HydrophobicContact CE-CG2 3.9Å; M1-I3 HydrophobicContact CG-CG2 4.13Å; M1-I3 HydrophobicContact SD-CG2 4.47Å; I3-E19 CarbonylContact O-C 3.55Å; I3-E19 VanDerWaalsContact O-CA 3.27Å; I3-E19 WeakPolarHBondContact O-CA 3.21Å; I3-L20 HydrophobicContact CG1-CB 4.2Å; I3-L20 VanDerWaalsContact CG1-O 3.31Å; I3-L20 WeakPolarHBondContact CG1-O 3.44Å; I3-L20 PolarHBondContact N-O 2.78Å; I3-L20 PolarHBondContact O-N 3.28Å; I3-L22 HydrophobicContact CD1-CB 3.92Å; I3-L22 HydrophobicContact CD1-CD1 4.16Å; I3-L22 HydrophobicContact CD1-CD2 4.45Å; I3-L22 HydrophobicContact CD1-CG 4.42Å; I3-L22 HydrophobicContact CG1-CB 4.12Å; I3-L22 HydrophobicContact CG2-CB 4.16Å; I3-L22 HydrophobicContact CG2-CD2 4.26Å; I3-L122 HydrophobicContact CD1-CD2 3.62Å; I3-S140 VanDerWaalsContact CD1-OG 3.28Å; I3-S140 WeakPolarHBondContact CD1-OG 3.46Å; I3-Y142 HydrophobicContact CG2-CD2 3.82Å; I3-Y142 HydrophobicContact CG2-CG 4.21Å
4K98.4Very high98.1Very high77 Ų7757.7 Ų57.734%0.33529%0.29SS..EExtended strand (participates in β ladder)trans-102.4126174.7-174.9180179.11780108.5I17 T18 S140 T141 F342 E343K4-I17 HydrophobicContact CD-CG2 3.95Å; K4-I17 HydrophobicContact CG-CG2 3.74Å; K4-T18 WeakPolarHBondContact CA-O 3.34Å; K4-S140 CarbonylContact O-C 3.58Å; K4-S140 WeakPolarHBondContact O-CA 3.45Å; K4-T141 HydrophobicContact CB-CG2 3.92Å; K4-T141 PolarHBondContact N-OG1 3.18Å; K4-T141 PolarHBondContact O-N 2.83Å; K4-T141 PolarHBondContact O-OG1 3.47Å; K4-F342 HydrophobicContact CD-CE1 4.47Å; K4-F342 HydrophobicContact CG-CE1 4.09Å; K4-E343 IonicContact NZ-OE1 2.79Å; K4-E343 PolarHBondContact NZ-OE1 2.87Å
5A98.7Very high98.2Very high0 Ų054.3 Ų54.30%027%0.273CS..EExtended strand (participates in β ladder)trans-138.6157.2-176.800000112.3L7 I17 T18 L20 V57 F139A5-L7 PolarHBondContact O-N 3.25Å; A5-I17 CarbonylContact O-C 3.55Å; A5-I17 WeakPolarHBondContact O-CA 3.44Å; A5-T18 PolarHBondContact N-O 2.77Å; A5-T18 PolarHBondContact O-N 3.2Å; A5-L20 HydrophobicContact CB-CD1 3.76Å; A5-L20 HydrophobicContact CB-CG 4.27Å; A5-V57 HydrophobicContact CB-CG1 4.17Å; A5-V57 HydrophobicContact CB-CG2 3.96Å; A5-F139 CarbonylContact C-O 3.59Å; A5-F139 WeakPolarHBondContact CA-O 3.48Å
6A98.7Very high98.2Very high0 Ų055.9 Ų55.90%028%0.279CS..EExtended strand (participates in β ladder)trans-91.791.7175.200000109.7Y15 I17 F139 F342 I345A6-Y15 HydrophobicContact CB-CD1 4.06Å; A6-Y15 HydrophobicContact CB-CG 4.42Å; A6-I17 HydrophobicContact CB-CD1 3.94Å; A6-F139 HydrophobicContact CB-CB 3.82Å; A6-F139 PolarHBondContact N-O 3.14Å; A6-F342 HydrophobicContact CB-CE2 3.86Å; A6-F342 HydrophobicContact CB-CZ 4.07Å; A6-I345 HydrophobicContact CB-CD1 3.99Å; A6-I345 HydrophobicContact CB-CG2 4.48Å
7L98.7Very high98.2Very high7 Ų755.5 Ų55.54%0.03728%0.278CS..EExtended strand (participates in β ladder)trans-77.9135.7-179.2-174.970.4000111A5 K9 E16 T18 P55 V57 V130A5-L7 PolarHBondContact O-N 3.25Å; L7-K9 HydrophobicContact CD2-CG 3.84Å; L7-K9 HydrophobicContact CG-CG 4.26Å; L7-E16 PolarHBondContact N-O 2.88Å; L7-E16 PolarHBondContact O-N 3.07Å; L7-T18 HydrophobicContact CB-CG2 3.64Å; L7-T18 HydrophobicContact CD2-CG2 4.02Å; L7-T18 HydrophobicContact CG-CG2 4.41Å; L7-P55 HydrophobicContact CD1-CB 4.09Å; L7-V57 HydrophobicContact CD1-CG2 4.35Å; L7-V130 HydrophobicContact CD1-CG1 3.63Å; L7-V130 HydrophobicContact CD1-CG2 4.1Å
8V98.7Very high98.2Very high0 Ų054.7 Ų54.70%028%0.276CS..EExtended strand (participates in β ladder)trans-108.5109164.6-173.20000107.8E10 A13 Y15 R47 F54 P55 N56 L58V8-E10 WeakPolarHBondContact CG1-O 3.38Å; V8-A13 HydrophobicContact CG1-CB 4.25Å; V8-Y15 HydrophobicContact CG2-CD1 3.66Å; V8-Y15 HydrophobicContact CG2-CE1 3.8Å; V8-R47 HydrophobicContact CG1-CG 3.79Å; V8-R47 HydrophobicContact CG2-CG 3.94Å; V8-F54 HydrophobicContact CB-CD1 4.37Å; V8-F54 HydrophobicContact CB-CE1 4.33Å; V8-F54 HydrophobicContact CG1-CD1 3.86Å; V8-F54 HydrophobicContact CG1-CE1 3.58Å; V8-P55 VanDerWaalsContact O-CA 3.3Å; V8-P55 WeakPolarHBondContact O-CA 3.41Å; V8-N56 WeakPolarHBondContact CB-OD1 3.47Å; V8-N56 PolarHBondContact N-O 3.31Å; V8-N56 PolarHBondContact O-N 2.91Å; V8-L58 HydrophobicContact CG2-CD1 4.34Å
9K98Very high98.2Very high107 Ų10757.1 Ų57.147%0.46529%0.286SS..  trans-71.6-40.8-173.3-72.9178.61741650113.3L7 E16L7-K9 HydrophobicContact CD2-CG 3.84Å; L7-K9 HydrophobicContact CG-CG 4.26Å; K9-E16 WeakPolarHBondContact CE-OE2 3.31Å; K9-E16 IonicContact NZ-OE1 3.77Å; K9-E16 PolarHBondContact NZ-OE1 2.81Å; K9-E16 IonicContact NZ-OE2 2.71Å; K9-E16 PolarHBondContact NZ-OE2 3.43Å
10E98.1Very high98.2Very high137 Ų13754.4 Ų54.464%0.6427%0.272SS*.SBendtrans-151.4168.2-176.861.9-179.3-167.900110.8V8 G12 A13V8-E10 WeakPolarHBondContact CG1-O 3.38Å; E10-G12 PolarHBondContact O-N 3.5Å; E10-A13 HydrophobicContact CG-CB 3.99Å; E10-A13 WeakPolarHBondContact O-CB 3.42Å; E10-A13 PolarHBondContact O-N 3.12Å
11K98Very high98.2Very high146 Ų14654.9 Ų54.964%0.63527%0.274SS*.THydrogen-bonded Turntrans-52.9121.8-178.1-177.1179.7-178.3171.60111.8A13 N48 F54K11-A13 PolarHBondContact O-N 2.93Å; K11-N48 WeakPolarHBondContact CE-O 3.33Å; K11-F54 HydrophobicContact CB-CD2 4.29Å; K11-F54 HydrophobicContact CB-CE2 3.76Å; K11-F54 HydrophobicContact CB-CZ 4.1Å; K11-F54 HydrophobicContact CG-CE2 4.32Å
12G97.5Very high98.3Very high33 Ų3351 Ų5134%0.3426%0.255SS..THydrogen-bonded Turntrans80.6-3.3176.700000114.8E10 R47E10-G12 PolarHBondContact O-N 3.5Å; G12-R47 PolarHBondContact N-O 2.94Å; G12-R47 PolarHBondContact O-NH1 3.07Å
13A98.3Very high98.3Very high17 Ų1747.6 Ų47.614%0.1425%0.246CC..PPolyproline II helixtrans-61147.8174.200000111.1V8 E10 K11 R47V8-A13 HydrophobicContact CG1-CB 4.25Å; E10-A13 HydrophobicContact CG-CB 3.99Å; E10-A13 WeakPolarHBondContact O-CB 3.42Å; E10-A13 PolarHBondContact O-N 3.12Å; K11-A13 PolarHBondContact O-N 2.93Å; A13-R47 WeakPolarHBondContact O-CD 3.48Å; A13-R47 WeakPolarHBondContact O-CG 3.25Å; A13-R47 PolarHBondContact O-NH1 2.71Å
14P98.3Very high98.3Very high85 Ų8556 Ų5655%0.55229%0.286SS*.PPolyproline II helixtrans-65.4163.7170.230.5-35.4000110.5E16 N346P14-E16 PolarHBondContact O-N 3.02Å; P14-N346 WeakPolarHBondContact CB-OD1 3.44Å
15Y98.7Very high98.3Very high6 Ų654 Ų542%0.02428%0.279CS..PPolyproline II helixtrans-67.7125.5170.3-61.2-77.2000109.9A6 V8 L58 F139 I345 N346 E349A6-Y15 HydrophobicContact CB-CD1 4.06Å; A6-Y15 HydrophobicContact CB-CG 4.42Å; V8-Y15 HydrophobicContact CG2-CD1 3.66Å; V8-Y15 HydrophobicContact CG2-CE1 3.8Å; Y15-L58 HydrophobicContact CE1-CB 4.47Å; Y15-L58 HydrophobicContact CE1-CD1 4.12Å; Y15-F139 AromaticContact CE1-CD2 3.96Å; Y15-F139 HydrophobicContact CE1-CD2 3.96Å; Y15-F139 HydrophobicContact CE1-CE2 4.14Å; Y15-I345 HydrophobicContact CD1-CD1 4.31Å; Y15-I345 HydrophobicContact CD2-CD1 4.41Å; Y15-I345 HydrophobicContact CD2-CG1 4.06Å; Y15-I345 HydrophobicContact CD2-CG2 4.15Å; Y15-I345 HydrophobicContact CE2-CG1 4.33Å; Y15-I345 HydrophobicContact CG-CD1 4.26Å; Y15-I345 HydrophobicContact CG-CG1 4.32Å; Y15-I345 HydrophobicContact CG-CG2 4.03Å; Y15-N346 WeakPolarHBondContact CD2-OD1 3.28Å; Y15-N346 PolarHBondContact N-OD1 3.45Å; Y15-N346 PolarHBondContact O-ND2 3.18Å; Y15-E349 HydrophobicContact CE2-CB 4.16Å; Y15-E349 HydrophobicContact CE2-CG 4.33Å; Y15-E349 WeakPolarHBondContact CE2-OE1 3.25Å; Y15-E349 PolarHBondContact OH-OE1 2.71Å
16E98.5Very high98.2Very high81 Ų8155.2 Ų55.238%0.37929%0.293SS..EExtended strand (participates in β ladder)trans-107.3117.6173.2-175176.1142.400109.6L7 K9 P14 T18L7-E16 PolarHBondContact N-O 2.88Å; L7-E16 PolarHBondContact O-N 3.07Å; K9-E16 WeakPolarHBondContact CE-OE2 3.31Å; K9-E16 IonicContact NZ-OE1 3.77Å; K9-E16 PolarHBondContact NZ-OE1 2.81Å; K9-E16 IonicContact NZ-OE2 2.71Å; K9-E16 PolarHBondContact NZ-OE2 3.43Å; P14-E16 PolarHBondContact O-N 3.02Å; E16-T18 PolarHBondContact O-N 2.75Å
17I98.5Very high98.1Very high49 Ų4958.2 Ų58.225%0.25131%0.313SS..EExtended strand (participates in β ladder)trans-75.4109.8177.9-59.6-65.8000108.4K4 A5 A6 F342 I345K4-I17 HydrophobicContact CD-CG2 3.95Å; K4-I17 HydrophobicContact CG-CG2 3.74Å; A5-I17 CarbonylContact O-C 3.55Å; A5-I17 WeakPolarHBondContact O-CA 3.44Å; A6-I17 HydrophobicContact CB-CD1 3.94Å; I17-F342 HydrophobicContact CD1-CD1 4.37Å; I17-F342 HydrophobicContact CD1-CD2 4.05Å; I17-F342 HydrophobicContact CD1-CE1 4.09Å; I17-F342 HydrophobicContact CD1-CE2 3.74Å; I17-F342 HydrophobicContact CD1-CG 4.35Å; I17-F342 HydrophobicContact CD1-CZ 3.75Å; I17-I345 HydrophobicContact CD1-CG2 4.05Å
18T97.9Very high97.9Very high41 Ų4163.2 Ų63.225%0.25234%0.335SS..EExtended strand (participates in β ladder)trans-134.7163.7-172.9-162.60000112K4 A5 L7 E16 L20K4-T18 WeakPolarHBondContact CA-O 3.34Å; A5-T18 PolarHBondContact N-O 2.77Å; A5-T18 PolarHBondContact O-N 3.2Å; L7-T18 HydrophobicContact CB-CG2 3.64Å; L7-T18 HydrophobicContact CD2-CG2 4.02Å; L7-T18 HydrophobicContact CG-CG2 4.41Å; E16-T18 PolarHBondContact O-N 2.75Å; T18-L20 HydrophobicContact CG2-CD2 3.78Å; T18-L20 HydrophobicContact CG2-CG 3.96Å
19E98.4Very high97.9Very high100 Ų10063.4 Ų63.447%0.46734%0.336SS..EExtended strand (participates in β ladder)trans-86.3131.2170.4-169.3173.585.700109.7K2 I3K2-E19 HydrophobicContact CB-CG 4.07Å; K2-E19 WeakPolarHBondContact CD-OE1 3.14Å; K2-E19 WeakPolarHBondContact CE-OE1 3.31Å; K2-E19 HydrophobicContact CG-CG 4.28Å; K2-E19 IonicContact NZ-OE1 2.79Å; K2-E19 PolarHBondContact NZ-OE1 3.36Å; I3-E19 CarbonylContact O-C 3.55Å; I3-E19 VanDerWaalsContact O-CA 3.27Å; I3-E19 WeakPolarHBondContact O-CA 3.21Å
20L98.6Very high97.9Very high2 Ų258.3 Ų58.31%0.0131%0.314CS..EExtended strand (participates in β ladder)trans-125.7154.9175.4-62.2-177.9000110.5K2 I3 A5 T18 V57 L122 H123 T124 V130K2-L20 WeakPolarHBondContact CA-O 3.05Å; I3-L20 HydrophobicContact CG1-CB 4.2Å; I3-L20 VanDerWaalsContact CG1-O 3.31Å; I3-L20 WeakPolarHBondContact CG1-O 3.44Å; I3-L20 PolarHBondContact N-O 2.78Å; I3-L20 PolarHBondContact O-N 3.28Å; A5-L20 HydrophobicContact CB-CD1 3.76Å; A5-L20 HydrophobicContact CB-CG 4.27Å; T18-L20 HydrophobicContact CG2-CD2 3.78Å; T18-L20 HydrophobicContact CG2-CG 3.96Å; L20-V57 HydrophobicContact CD1-CG2 3.59Å; L20-L122 HydrophobicContact CD1-CD2 4.28Å; L20-H123 CarbonylContact C-O 3.6Å; L20-H123 WeakPolarHBondContact CA-O 3.44Å; L20-T124 HydrophobicContact CD2-CG2 3.86Å; L20-V130 HydrophobicContact CD1-CG1 4.4Å; L20-V130 HydrophobicContact CD2-CG2 4.39Å
21E98.5Very high98Very high66 Ų6652.2 Ų52.231%0.30829%0.286SS..EExtended strand (participates in β ladder)trans-90.7113.8168.9-71.4-65.4169.300110.3M1 K2 H123M1-E21 VanDerWaalsContact C-OE2 3.25Å; M1-E21 PolarHBondContact N-OE2 3.28Å; M1-E21 VanDerWaalsContact N-OE2 3.1Å; K2-E21 WeakPolarHBondContact CE-OE1 3.47Å; K2-E21 WeakPolarHBondContact CG-OE1 3.39Å; E21-H123 HydrophobicContact CB-CB 4.46Å; E21-H123 PolarHBondContact N-O 2.61Å; E21-H123 PolarHBondContact O-N 3.44Å
22L98.4Very high98Very high6 Ų645.3 Ų45.33%0.03126%0.255CS..EExtended strand (participates in β ladder)trans-86.2135.7171-171.171.3000110.3M1 I3 L31 I121 L122 L144M1-L22 HydrophobicContact CG-CB 3.8Å; M1-L22 HydrophobicContact CG-CD2 4.11Å; M1-L22 HydrophobicContact CG-CG 4.44Å; M1-L22 PolarHBondContact N-O 2.9Å; M1-L22 PolarHBondContact O-N 2.79Å; M1-L22 HydrophobicContact SD-CD2 4.14Å; I3-L22 HydrophobicContact CD1-CB 3.92Å; I3-L22 HydrophobicContact CD1-CD1 4.16Å; I3-L22 HydrophobicContact CD1-CD2 4.45Å; I3-L22 HydrophobicContact CD1-CG 4.42Å; I3-L22 HydrophobicContact CG1-CB 4.12Å; I3-L22 HydrophobicContact CG2-CB 4.16Å; I3-L22 HydrophobicContact CG2-CD2 4.26Å; L22-L31 HydrophobicContact CD2-CD1 3.56Å; L22-I121 CarbonylContact C-O 3.51Å; L22-I121 WeakPolarHBondContact CA-O 3.46Å; L22-I121 HydrophobicContact CD1-CD1 4.26Å; L22-L122 HydrophobicContact CD1-CD2 3.6Å; L22-L122 HydrophobicContact CD1-CG 4.32Å; L22-L144 HydrophobicContact CD1-CB 3.84Å; L22-L144 HydrophobicContact CD2-CB 4.13Å; L22-L144 HydrophobicContact CG-CB 4.16Å
23A97.8Very high98.1Very high34 Ų3446.7 Ų46.728%0.28125%0.252SS..PPolyproline II helixtrans-57.3158.8177.500000112.9I121 L144A23-I121 HydrophobicContact CB-CB 4.26Å; A23-I121 HydrophobicContact CB-CG2 4.46Å; A23-I121 PolarHBondContact N-O 2.9Å; A23-L144 HydrophobicContact CB-CD2 4.17Å
24E97.3Very high98.1Very high183 Ų18346 Ų4686%0.85525%0.246SC*.PPolyproline II helixtrans-66.6149.3173.7-64.9-170.1170.100111.4G26E24-G26 PolarHBondContact O-N 3.47Å; E24-G26 VanDerWaalsContact O-N 3.09Å
25V97.9Very high98.1Very high33 Ų3341.9 Ų41.920%0.222%0.219CC..  trans-66.2109.5178.1-177.70000109.9D29 L31 K68 L144V25-D29 HydrophobicContact CG1-CB 3.96Å; V25-L31 HydrophobicContact CG2-CB 3.84Å; V25-L31 HydrophobicContact CG2-CD2 4.09Å; V25-L31 HydrophobicContact CG2-CG 4.47Å; V25-K68 HydrophobicContact CB-CD 4.31Å; V25-K68 HydrophobicContact CG1-CG 4.42Å; V25-K68 HydrophobicContact CG2-CB 4.47Å; V25-K68 HydrophobicContact CG2-CD 4.02Å; V25-K68 HydrophobicContact CG2-CG 4.38Å; V25-L144 HydrophobicContact CB-CD1 4.48Å; V25-L144 HydrophobicContact CG2-CD1 3.95Å
26G96.4Very high98.1Very high27 Ų2741.7 Ų41.728%0.27822%0.219SC..  trans-76179.6172.600000113.1E24 K28 D29 G70E24-G26 PolarHBondContact O-N 3.47Å; E24-G26 VanDerWaalsContact O-N 3.09Å; G26-K28 VanDerWaalsContact C-N 3.3Å; G26-K28 PolarHBondContact O-N 2.67Å; G26-D29 VanDerWaalsContact CA-OD2 3.27Å; G26-D29 WeakPolarHBondContact CA-OD2 3.26Å; G26-D29 PolarHBondContact N-OD2 2.76Å; G26-D29 PolarHBondContact O-N 3.38Å; G26-G70 WeakPolarHBondContact O-CA 3.33Å
27S96.9Very high98.1Very high62 Ų6237.9 Ų37.943%0.43420%0.201SC..THydrogen-bonded Turntrans-63.4-29.8-173.253.80000114.7G70 N71 A72S27-G70 CarbonylContact O-C 3.39Å; S27-G70 VanDerWaalsContact O-CA 3.25Å; S27-G70 WeakPolarHBondContact O-CA 3.12Å; S27-N71 WeakPolarHBondContact CA-OD1 3.13Å; S27-N71 WeakPolarHBondContact CB-OD1 3.35Å; S27-N71 PolarHBondContact O-N 3.07Å; S27-A72 VanDerWaalsContact O-CB 3.32Å; S27-A72 WeakPolarHBondContact O-CB 3.45Å; S27-A72 PolarHBondContact O-N 2.98Å
28K95.9Very high98.1Very high113 Ų11335.5 Ų35.549%0.49119%0.189SC..THydrogen-bonded Turntrans-105.50.9-179-63.8-174.5176.4-173.40113.8G26 A72G26-K28 VanDerWaalsContact C-N 3.3Å; G26-K28 PolarHBondContact O-N 2.67Å; K28-A72 HydrophobicContact CG-CB 4.28Å
29D97.9Very high98.1Very high4 Ų433.8 Ų33.82%0.02118%0.178CC..EExtended strand (participates in β ladder)trans-84.2147.7-172.1-64.4-28.6000111.9V25 G26 V69 G70 R117 L144 T145V25-D29 HydrophobicContact CG1-CB 3.96Å; G26-D29 VanDerWaalsContact CA-OD2 3.27Å; G26-D29 WeakPolarHBondContact CA-OD2 3.26Å; G26-D29 PolarHBondContact N-OD2 2.76Å; G26-D29 PolarHBondContact O-N 3.38Å; D29-V69 CarbonylContact O-C 3.17Å; D29-G70 PolarHBondContact O-N 3.28Å; D29-R117 IonicContact OD1-CZ 3.6Å; D29-R117 VanDerWaalsContact OD1-CZ 3.22Å; D29-R117 IonicContact OD1-NH1 3.79Å; D29-R117 PolarHBondContact OD1-NH1 3.13Å; D29-R117 IonicContact OD1-NH2 3.8Å; D29-R117 PolarHBondContact OD1-NH2 3.49Å; D29-R117 IonicContact OD2-CZ 3.06Å; D29-R117 IonicContact OD2-NH2 2.66Å; D29-R117 PolarHBondContact OD2-NH2 3.5Å; D29-L144 HydrophobicContact CB-CD1 3.67Å; D29-L144 HydrophobicContact CB-CG 4.09Å; D29-T145 CarbonylContact C-O 3.53Å; D29-T145 VanDerWaalsContact CA-O 3.27Å; D29-T145 WeakPolarHBondContact CA-O 3.5Å
30V98.7Very high98.1Very high0 Ų029.9 Ų29.90%016%0.162CC..EExtended strand (participates in β ladder)trans-116.8116169.1-1760000106.8V32 V66 V69 V73 V76 T145 E147 V150V30-V32 HydrophobicContact CG1-CG2 3.84Å; V30-V66 HydrophobicContact CG1-CG1 4.01Å; V30-V66 HydrophobicContact CG1-CG2 4.15Å; V30-V69 HydrophobicContact CG1-CG1 4.33Å; V30-V73 HydrophobicContact CG2-CG1 3.98Å; V30-V73 HydrophobicContact CG2-CG2 3.99Å; V30-V76 HydrophobicContact CG1-CG2 4.09Å; V30-V76 HydrophobicContact CG2-CG2 4.13Å; V30-T145 HydrophobicContact CB-CG2 4.14Å; V30-T145 PolarHBondContact N-O 2.84Å; V30-T145 PolarHBondContact O-N 3.27Å; V30-E147 HydrophobicContact CG2-CG 4.36Å; V30-V150 HydrophobicContact CB-CG2 4.19Å; V30-V150 HydrophobicContact CG1-CG2 4.14Å; V30-V150 HydrophobicContact CG2-CG2 4.3Å
31L98.7Very high97.8Very high9 Ų937 Ų375%0.04719%0.189CC..EExtended strand (participates in β ladder)trans-89120.5171.9-178.967.3000108.6M1 L22 V25 E67 K68 Y142 L144M1-L31 HydrophobicContact SD-CD1 4.22Å; M1-L31 HydrophobicContact SD-CD2 3.89Å; L22-L31 HydrophobicContact CD2-CD1 3.56Å; V25-L31 HydrophobicContact CG2-CB 3.84Å; V25-L31 HydrophobicContact CG2-CD2 4.09Å; V25-L31 HydrophobicContact CG2-CG 4.47Å; L31-E67 HydrophobicContact CD2-CB 4.18Å; L31-E67 HydrophobicContact CD2-CG 4.08Å; L31-E67 HydrophobicContact CG-CB 4.19Å; L31-E67 PolarHBondContact O-N 3.12Å; L31-K68 HydrophobicContact CB-CB 4.17Å; L31-K68 HydrophobicContact CD2-CB 4.26Å; L31-K68 PolarHBondContact N-O 2.89Å; L31-K68 PolarHBondContact O-N 3.06Å; L31-Y142 HydrophobicContact CD1-CD1 4.08Å; L31-Y142 HydrophobicContact CD1-CG 4.5Å; L31-Y142 HydrophobicContact CD2-CD1 4.44Å; L31-Y142 HydrophobicContact CG-CD1 4.14Å; L31-L144 HydrophobicContact CB-CD1 4.16Å; L31-L144 HydrophobicContact CD1-CD1 4.19Å
32V98.8Very high97.6Very high0 Ų035 Ų350%018%0.182CC..EExtended strand (participates in β ladder)trans-115.4124-179.1-176.90000109.2V30 I34 I65 V82 L84 Y142 S143 T145V30-V32 HydrophobicContact CG1-CG2 3.84Å; V32-I34 HydrophobicContact CB-CD1 4.37Å; V32-I34 HydrophobicContact CG1-CD1 3.99Å; V32-I34 PolarHBondContact O-N 3.1Å; V32-I65 WeakPolarHBondContact CA-O 3.38Å; V32-V82 HydrophobicContact CG1-CG2 3.76Å; V32-V82 HydrophobicContact CG2-CG2 3.97Å; V32-L84 HydrophobicContact CG2-CD2 4.21Å; V32-Y142 CarbonylContact O-C 3.53Å; V32-Y142 VanDerWaalsContact O-CA 3.26Å; V32-Y142 WeakPolarHBondContact O-CA 3.48Å; V32-S143 PolarHBondContact N-O 3.32Å; V32-S143 PolarHBondContact O-N 3.05Å; V32-T145 HydrophobicContact CG2-CG2 4.44Å
33K98.8Very high97.5Very high63 Ų6334.8 Ų34.827%0.27418%0.181SC..EExtended strand (participates in β ladder)trans-74.3111.2165.4-171.9-173.2-174.3-154.10108V35 G64 I65 Y142 D365K33-V35 PolarHBondContact O-N 3.14Å; K33-G64 CarbonylContact O-C 3.6Å; K33-G64 WeakPolarHBondContact O-CA 3.43Å; K33-I65 PolarHBondContact N-O 3.3Å; K33-I65 PolarHBondContact O-N 3.27Å; K33-Y142 HydrophobicContact CB-CD1 4.03Å; K33-Y142 HydrophobicContact CB-CE1 3.6Å; K33-Y142 HydrophobicContact CG-CD1 4.4Å; K33-Y142 HydrophobicContact CG-CE1 3.79Å; K33-Y142 HydrophobicContact CG-CE2 4.48Å; K33-D365 WeakPolarHBondContact CE-OD2 3.37Å; K33-D365 IonicContact NZ-OD1 3.86Å; K33-D365 IonicContact NZ-OD2 2.7Å; K33-D365 PolarHBondContact NZ-OD2 2.79Å
34I98.9Very high97.5Very high1 Ų136.7 Ų36.71%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-75.4126-175.5-58.7-62.1000109.3V32 L84 S140 T141 S143 M364V32-I34 HydrophobicContact CB-CD1 4.37Å; V32-I34 HydrophobicContact CG1-CD1 3.99Å; V32-I34 PolarHBondContact O-N 3.1Å; I34-L84 HydrophobicContact CD1-CD1 3.88Å; I34-S140 VanDerWaalsContact CB-O 3.29Å; I34-S140 WeakPolarHBondContact CB-O 3.44Å; I34-S140 WeakPolarHBondContact CG1-O 3.36Å; I34-T141 PolarHBondContact N-O 2.98Å; I34-S143 WeakPolarHBondContact CD1-OG 3.16Å; I34-M364 HydrophobicContact CB-CB 4.45Å; I34-M364 HydrophobicContact CB-CG 4.42Å; I34-M364 HydrophobicContact CG2-CB 4.17Å; I34-M364 HydrophobicContact CG2-CG 3.92Å; I34-M364 VanDerWaalsContact O-CB 3.31Å; I34-M364 WeakPolarHBondContact O-CB 3.31Å
35V98.8Very high97.4Very high0 Ų028.4 Ų28.40%015%0.145CC..EExtended strand (participates in β ladder)trans-86.6-48.6174.6165.70000109.9K33 A63 I65 L159 R160 M364 D365 Y368K33-V35 PolarHBondContact O-N 3.14Å; V35-A63 PolarHBondContact N-O 3.45Å; V35-I65 HydrophobicContact CG2-CD1 4.4Å; V35-I65 HydrophobicContact CG2-CG1 4.26Å; V35-L159 HydrophobicContact CB-CD2 4.25Å; V35-L159 HydrophobicContact CB-CG 4.48Å; V35-L159 HydrophobicContact CG1-CB 4.43Å; V35-L159 HydrophobicContact CG2-CD2 3.96Å; V35-R160 HydrophobicContact CG1-CG 3.67Å; V35-M364 PolarHBondContact O-N 2.83Å; V35-D365 HydrophobicContact CG2-CB 4.36Å; V35-D365 PolarHBondContact O-N 2.97Å; V35-D365 VanDerWaalsContact O-N 3.11Å; V35-Y368 HydrophobicContact CB-CG 4.43Å; V35-Y368 HydrophobicContact CG1-CD1 3.52Å; V35-Y368 HydrophobicContact CG1-CD2 3.95Å; V35-Y368 HydrophobicContact CG1-CE1 4Å; V35-Y368 HydrophobicContact CG1-CE2 4.4Å; V35-Y368 HydrophobicContact CG1-CG 3.48Å; V35-Y368 VanDerWaalsContact CG1-CG 3.48Å; V35-Y368 HydrophobicContact CG2-CD2 3.72Å; V35-Y368 HydrophobicContact CG2-CE2 4.23Å; V35-Y368 HydrophobicContact CG2-CG 4.03Å
36A98.8Very high97.3Very high2 Ų227.6 Ų27.62%0.01714%0.139CC..EExtended strand (participates in β ladder)trans-153.6161.5175.200000111.3G62 A63 R160 V361 V362 V363A36-G62 WeakPolarHBondContact O-CA 3.46Å; A36-A63 PolarHBondContact N-O 2.88Å; A36-A63 PolarHBondContact O-N 3.21Å; A36-R160 HydrophobicContact CB-CB 4.06Å; A36-R160 HydrophobicContact CB-CG 4.28Å; A36-V361 HydrophobicContact CB-CG1 3.7Å; A36-V362 CarbonylContact C-O 3.58Å; A36-V362 WeakPolarHBondContact CA-O 3.04Å; A36-V362 WeakPolarHBondContact CB-O 3.42Å; A36-V363 HydrophobicContact CB-CG2 4.4Å
37S98.9Very high97.3Very high0 Ų027.6 Ų27.60%013%0.131CC..EExtended strand (participates in β ladder)trans-133.9134.9171.1-171.90000111.1E61 S138 F139 V361 V362S37-E61 CarbonylContact C-O 3.54Å; S37-E61 VanDerWaalsContact CA-O 3.27Å; S37-E61 WeakPolarHBondContact CA-O 3.39Å; S37-E61 PolarHBondContact OG-O 3.34Å; S37-S138 PolarHBondContact OG-OG 3.28Å; S37-F139 WeakPolarHBondContact OG-CE1 3.44Å; S37-V361 CarbonylContact O-C 3.6Å; S37-V361 WeakPolarHBondContact O-CA 3.49Å; S37-V362 PolarHBondContact N-O 3.08Å; S37-V362 WeakPolarHBondContact O-CG2 3.08Å; S37-V362 PolarHBondContact O-N 3.09Å
38G98.7Very high97.3Very high0 Ų027 Ų270%012%0.123CC..EExtended strand (participates in β ladder)trans-68.7153.216700000112.1E61 F139G38-E61 WeakPolarHBondContact CA-OE2 3.31Å; G38-E61 PolarHBondContact N-O 3.22Å; G38-F139 WeakPolarHBondContact O-CE1 3.39Å
39L98Very high97.2Very high4 Ų422.9 Ų22.92%0.02111%0.112CC..  trans-100131.8167.1-82.1153.1000109.5F139 I345 A348 E349 K359 A360 V362L39-F139 HydrophobicContact CD2-CE1 4.1Å; L39-F139 HydrophobicContact CD2-CE2 3.88Å; L39-F139 HydrophobicContact CD2-CZ 3.4Å; L39-F139 HydrophobicContact CG-CE1 4.27Å; L39-F139 HydrophobicContact CG-CZ 4Å; L39-I345 HydrophobicContact CD1-CG1 4.46Å; L39-I345 HydrophobicContact CD2-CG1 4.32Å; L39-A348 HydrophobicContact CD1-CB 3.32Å; L39-E349 HydrophobicContact CD2-CB 4.46Å; L39-K359 PolarHBondContact O-NZ 2.91Å; L39-A360 HydrophobicContact CB-CB 4.24Å; L39-A360 HydrophobicContact CD1-CB 3.91Å; L39-A360 PolarHBondContact N-O 2.89Å; L39-V362 HydrophobicContact CD1-CG1 4.08Å
40C96.6Very high96.9Very high18 Ų1825.4 Ų25.412%0.12213%0.126CC..  trans-118.5153.1177.3178.90000110.5S42 D43 H60C40-S42 PolarHBondContact O-N 2.65Å; C40-S42 VanDerWaalsContact O-N 3.14Å; C40-D43 WeakPolarHBondContact CB-OD2 3.2Å; C40-D43 PolarHBondContact N-OD2 2.74Å; C40-D43 WeakPolarHBondContact O-CB 3.43Å; C40-D43 PolarHBondContact O-N 2.81Å; C40-H60 VanDerWaalsContact CB-CE1 3.43Å; C40-H60 WeakPolarHBondContact CB-CE1 3.35Å
41R93.3Very high96.6Very high152 Ų15227.3 Ų27.357%0.57414%0.139SC*.Hα-helixtrans-58.7-27.5175.9-172.661172-134.51.8112.1Y44 G45R41-Y44 PolarHBondContact O-N 3.36Å; R41-G45 PolarHBondContact O-N 3.24Å; R41-G45 VanDerWaalsContact O-N 3.14Å
42S94.3Very high96.4Very high25 Ų2527.1 Ų27.118%0.17514%0.138CC..Hα-helixtrans-64.5-36.4174.1-56.70000112.3C40 Y44 G45 E46C40-S42 PolarHBondContact O-N 2.65Å; C40-S42 VanDerWaalsContact O-N 3.14Å; S42-Y44 VanDerWaalsContact C-N 3.33Å; S42-Y44 PolarHBondContact O-N 2.78Å; S42-G45 CarbonylContact O-C 3.59Å; S42-G45 WeakPolarHBondContact O-CA 3.45Å; S42-G45 PolarHBondContact O-N 3.01Å; S42-E46 WeakPolarHBondContact O-CG 3.44Å; S42-E46 PolarHBondContact O-N 3.41Å
43D97Very high96.3Very high0 Ų032.2 Ų32.20%017%0.166CC..Hα-helixtrans-61.5-43.8176.4-60.9-66000110.7C40 G45 E46 R47 L58 G59 H60 F139C40-D43 WeakPolarHBondContact CB-OD2 3.2Å; C40-D43 PolarHBondContact N-OD2 2.74Å; C40-D43 WeakPolarHBondContact O-CB 3.43Å; C40-D43 PolarHBondContact O-N 2.81Å; D43-G45 VanDerWaalsContact C-N 3.29Å; D43-G45 PolarHBondContact O-N 3.43Å; D43-E46 PolarHBondContact O-N 3.37Å; D43-R47 WeakPolarHBondContact O-CB 2.84Å; D43-R47 PolarHBondContact O-N 3.08Å; D43-L58 HydrophobicContact CB-CD1 4.45Å; D43-L58 VanDerWaalsContact O-CD1 3.24Å; D43-L58 WeakPolarHBondContact O-CD1 3.34Å; D43-G59 WeakPolarHBondContact OD1-CA 3.37Å; D43-G59 PolarHBondContact OD1-N 2.81Å; D43-G59 VanDerWaalsContact OD1-N 3.11Å; D43-H60 VanDerWaalsContact CG-CE1 3.4Å; D43-H60 VanDerWaalsContact CG-ND1 3.34Å; D43-H60 IonicContact OD1-CE1 3.07Å; D43-H60 PolarHBondContact OD1-CE1 2.88Å; D43-H60 VanDerWaalsContact OD1-CE1 3.27Å; D43-H60 IonicContact OD1-ND1 2.92Å; D43-H60 PolarHBondContact OD1-ND1 2.93Å; D43-H60 IonicContact OD2-CE1 3.53Å; D43-H60 PolarHBondContact OD2-CE1 2.82Å; D43-H60 IonicContact OD2-ND1 2.71Å; D43-H60 PolarHBondContact OD2-ND1 2.73Å; D43-F139 HydrophobicContact CB-CE2 3.94Å; D43-F139 HydrophobicContact CB-CZ 4.17Å
44Y96.2Very high96.3Very high74 Ų7431.9 Ų31.929%0.2916%0.164SC..Hα-helixtrans-58.5-42.4172.5171.2-102000111.9R41 S42 R47 N48 I353R41-Y44 PolarHBondContact O-N 3.36Å; S42-Y44 VanDerWaalsContact C-N 3.33Å; S42-Y44 PolarHBondContact O-N 2.78Å; Y44-R47 PolarHBondContact O-N 3.23Å; Y44-N48 VanDerWaalsContact CD2-ND2 3.28Å; Y44-N48 WeakPolarHBondContact CD2-ND2 3.5Å; Y44-N48 WeakPolarHBondContact CE2-ND2 3.32Å; Y44-N48 PolarHBondContact O-N 3.2Å; Y44-N48 VanDerWaalsContact O-N 3.12Å; Y44-N48 PolarHBondContact O-ND2 2.89Å; Y44-I353 HydrophobicContact CD1-CD1 4.3Å; Y44-I353 HydrophobicContact CD2-CD1 3.13Å; Y44-I353 HydrophobicContact CD2-CG1 4.24Å; Y44-I353 HydrophobicContact CE2-CD1 3.41Å; Y44-I353 VanDerWaalsContact CE2-CD1 3.41Å; Y44-I353 HydrophobicContact CG-CD1 3.59Å; Y44-I353 HydrophobicContact CG-CG1 4.25Å
45G95.2Very high96.2Very high10 Ų1033.2 Ų33.210%0.10317%0.173CC..Hα-helixtrans-60.1-46.3175.900000112.5R41 S42 D43 N48 G49 N50R41-G45 PolarHBondContact O-N 3.24Å; R41-G45 VanDerWaalsContact O-N 3.14Å; S42-G45 CarbonylContact O-C 3.59Å; S42-G45 WeakPolarHBondContact O-CA 3.45Å; S42-G45 PolarHBondContact O-N 3.01Å; D43-G45 VanDerWaalsContact C-N 3.29Å; D43-G45 PolarHBondContact O-N 3.43Å; G45-N48 CarbonylContact O-C 3.58Å; G45-N48 PolarHBondContact O-N 3.43Å; G45-N48 VanDerWaalsContact O-N 3.16Å; G45-G49 PolarHBondContact O-N 3.44Å; G45-N50 WeakPolarHBondContact CA-ND2 3.45Å; G45-N50 WeakPolarHBondContact O-CB 3.39Å; G45-N50 VanDerWaalsContact O-CG 3.25Å; G45-N50 PolarHBondContact O-N 3.1Å
46E96.3Very high96.2Very high15 Ų1533.2 Ų33.27%0.0717%0.173CC..Hα-helixtrans-66.8-40.3177.8-65.4-49.7149.500112.6S42 D43 N48 G49 N50 S51 I52 F54 L58 F133S42-E46 WeakPolarHBondContact O-CG 3.44Å; S42-E46 PolarHBondContact O-N 3.41Å; D43-E46 PolarHBondContact O-N 3.37Å; E46-N48 PolarHBondContact O-N 3.22Å; E46-N48 VanDerWaalsContact O-N 3.15Å; E46-G49 PolarHBondContact O-N 3.13Å; E46-N50 WeakPolarHBondContact OE1-CB 3.48Å; E46-S51 PolarHBondContact OE1-OG 3.37Å; E46-S51 WeakPolarHBondContact OE2-CA 3.32Å; E46-S51 PolarHBondContact OE2-N 2.85Å; E46-S51 PolarHBondContact OE2-OG 2.8Å; E46-I52 HydrophobicContact CB-CG2 3.93Å; E46-I52 HydrophobicContact CG-CG2 4.35Å; E46-I52 PolarHBondContact OE2-N 3.36Å; E46-F54 WeakPolarHBondContact O-CZ 3.42Å; E46-L58 HydrophobicContact CB-CD1 4.08Å; E46-L58 HydrophobicContact CB-CD2 3.73Å; E46-F133 HydrophobicContact CG-CE1 4.26Å; E46-F133 HydrophobicContact CG-CE2 3.88Å; E46-F133 HydrophobicContact CG-CZ 3.69Å
47R97.2Very high96.2Very high27 Ų2733.1 Ų33.110%0.10217%0.172CC..Hα-helixtrans-57.2-31172.1-167.817569.473.8-3112V8 G12 A13 D43 Y44 F54 L58 E349V8-R47 HydrophobicContact CG1-CG 3.79Å; V8-R47 HydrophobicContact CG2-CG 3.94Å; G12-R47 PolarHBondContact N-O 2.94Å; G12-R47 PolarHBondContact O-NH1 3.07Å; A13-R47 WeakPolarHBondContact O-CD 3.48Å; A13-R47 WeakPolarHBondContact O-CG 3.25Å; A13-R47 PolarHBondContact O-NH1 2.71Å; D43-R47 WeakPolarHBondContact O-CB 2.84Å; D43-R47 PolarHBondContact O-N 3.08Å; Y44-R47 PolarHBondContact O-N 3.23Å; R47-F54 WeakPolarHBondContact O-CZ 3.43Å; R47-L58 HydrophobicContact CB-CD1 3.78Å; R47-E349 IonicContact CZ-OE2 2.78Å; R47-E349 IonicContact NE-OE1 3.08Å; R47-E349 PolarHBondContact NE-OE1 2.63Å; R47-E349 IonicContact NE-OE2 2.93Å; R47-E349 PolarHBondContact NE-OE2 2.8Å; R47-E349 IonicContact NH2-OE2 2.71Å; R47-E349 PolarHBondContact NH2-OE2 3Å
48N96.4Very high96.2Very high50 Ų5033.1 Ų33.127%0.26717%0.172SC..THydrogen-bonded Turntrans-95.718.3176.6-69.7-79.4000113.7K11 Y44 G45 E46K11-N48 WeakPolarHBondContact CE-O 3.33Å; Y44-N48 VanDerWaalsContact CD2-ND2 3.28Å; Y44-N48 WeakPolarHBondContact CD2-ND2 3.5Å; Y44-N48 WeakPolarHBondContact CE2-ND2 3.32Å; Y44-N48 PolarHBondContact O-N 3.2Å; Y44-N48 VanDerWaalsContact O-N 3.12Å; Y44-N48 PolarHBondContact O-ND2 2.89Å; G45-N48 CarbonylContact O-C 3.58Å; G45-N48 PolarHBondContact O-N 3.43Å; G45-N48 VanDerWaalsContact O-N 3.16Å; E46-N48 PolarHBondContact O-N 3.22Å; E46-N48 VanDerWaalsContact O-N 3.15Å
49G93.5Very high96.2Very high26 Ų2633.1 Ų33.127%0.26817%0.172SC..THydrogen-bonded Turntrans79.745166.500000114.7G45 E46G45-G49 PolarHBondContact O-N 3.44Å; E46-G49 PolarHBondContact O-N 3.13Å
50N92.4Very high96.2Very high57 Ų5733 Ų3331%0.30517%0.172SC..SBendtrans-71.7-62.7174.8-88.3-2.6000113.1G45 E46 Q287G45-N50 WeakPolarHBondContact CA-ND2 3.45Å; G45-N50 WeakPolarHBondContact O-CB 3.39Å; G45-N50 VanDerWaalsContact O-CG 3.25Å; G45-N50 PolarHBondContact O-N 3.1Å; E46-N50 WeakPolarHBondContact OE1-CB 3.48Å; N50-Q287 PolarHBondContact OD1-NE2 3.33Å; N50-Q287 VanDerWaalsContact OD1-NE2 3.16Å
51S91.2Very high96.3Very high41 Ų4132.2 Ų32.229%0.28717%0.166SC..SBendtrans-139.7-27.6-169.872.40000115.2E46 N111E46-S51 PolarHBondContact OE1-OG 3.37Å; E46-S51 WeakPolarHBondContact OE2-CA 3.32Å; E46-S51 PolarHBondContact OE2-N 2.85Å; E46-S51 PolarHBondContact OE2-OG 2.8Å; S51-N111 PolarHBondContact OG-ND2 2.98Å
52I94.7Very high96.6Very high5 Ų525 Ų253%0.02614%0.139CC..SBendtrans-92.2144.6177.6-166.5166.6000112.4E46 N56 L58 N131 F133E46-I52 HydrophobicContact CB-CG2 3.93Å; E46-I52 HydrophobicContact CG-CG2 4.35Å; E46-I52 PolarHBondContact OE2-N 3.36Å; I52-N56 HydrophobicContact CD1-CB 4.16Å; I52-N56 HydrophobicContact CG1-CB 4.4Å; I52-L58 HydrophobicContact CG2-CD2 4Å; I52-N131 HydrophobicContact CD1-CB 3.98Å; I52-N131 HydrophobicContact CG1-CB 4.01Å; I52-F133 HydrophobicContact CD1-CB 3.66Å; I52-F133 HydrophobicContact CD1-CD2 3.95Å; I52-F133 HydrophobicContact CD1-CG 4.2Å
53N97Very high96.8Very high107 Ų10723.8 Ų23.857%0.57213%0.131SC*.  trans-75.2161.4175.7-69.9-42.3000112.4N56 N131N53-N56 WeakPolarHBondContact O-CB 3.38Å; N53-N56 PolarHBondContact O-ND2 2.97Å; N53-N131 PolarHBondContact O-ND2 3.43Å
54F98.3Very high96.9Very high55 Ų5523.8 Ų23.824%0.24113%0.131CC..SBendtrans-106.3152.6174.9-60.3-85.9000110.9V8 K11 E46 R47 N56V8-F54 HydrophobicContact CB-CD1 4.37Å; V8-F54 HydrophobicContact CB-CE1 4.33Å; V8-F54 HydrophobicContact CG1-CD1 3.86Å; V8-F54 HydrophobicContact CG1-CE1 3.58Å; K11-F54 HydrophobicContact CB-CD2 4.29Å; K11-F54 HydrophobicContact CB-CE2 3.76Å; K11-F54 HydrophobicContact CB-CZ 4.1Å; K11-F54 HydrophobicContact CG-CE2 4.32Å; E46-F54 WeakPolarHBondContact O-CZ 3.42Å; R47-F54 WeakPolarHBondContact O-CZ 3.43Å; F54-N56 WeakPolarHBondContact CD1-ND2 3.24Å; F54-N56 VanDerWaalsContact CE1-ND2 3.31Å; F54-N56 WeakPolarHBondContact CE1-ND2 3.25Å
55P98.4Very high97Very high30 Ų3022.1 Ų22.120%0.19513%0.126CC..SBendcis-71.8151.7-5.332.1-35.9000111.7L7 V8 T128 V130 N131L7-P55 HydrophobicContact CD1-CB 4.09Å; V8-P55 VanDerWaalsContact O-CA 3.3Å; V8-P55 WeakPolarHBondContact O-CA 3.41Å; P55-T128 HydrophobicContact CG-CG2 4.39Å; P55-V130 HydrophobicContact CG-CG2 4.27Å; P55-N131 WeakPolarHBondContact O-CB 3.39Å; P55-N131 PolarHBondContact O-N 3.4Å; P55-N131 PolarHBondContact O-ND2 2.89Å
56N98.6Very high97.1Very high0 Ų021.8 Ų21.80%012%0.122CC..EExtended strand (participates in β ladder)trans-141.3162.6178.957.759.6000113V8 I52 N53 F54 L58 N131V8-N56 WeakPolarHBondContact CB-OD1 3.47Å; V8-N56 PolarHBondContact N-O 3.31Å; V8-N56 PolarHBondContact O-N 2.91Å; I52-N56 HydrophobicContact CD1-CB 4.16Å; I52-N56 HydrophobicContact CG1-CB 4.4Å; N53-N56 WeakPolarHBondContact O-CB 3.38Å; N53-N56 PolarHBondContact O-ND2 2.97Å; F54-N56 WeakPolarHBondContact CD1-ND2 3.24Å; F54-N56 VanDerWaalsContact CE1-ND2 3.31Å; F54-N56 WeakPolarHBondContact CE1-ND2 3.25Å; N56-L58 WeakPolarHBondContact OD1-CD2 3.18Å; N56-L58 WeakPolarHBondContact OD1-CG 3.25Å; N56-N131 WeakPolarHBondContact CA-O 3.2Å; N56-N131 HydrophobicContact CB-CB 3.9Å; N56-N131 WeakPolarHBondContact CB-O 3.46Å
57V98.8Very high97.2Very high0 Ų025.7 Ų25.70%014%0.14CC..EExtended strand (participates in β ladder)trans-114125.6162.51770000107.4A5 L7 L20 L122 V130 N131 F133 S137 F139A5-V57 HydrophobicContact CB-CG1 4.17Å; A5-V57 HydrophobicContact CB-CG2 3.96Å; L7-V57 HydrophobicContact CD1-CG2 4.35Å; L20-V57 HydrophobicContact CD1-CG2 3.59Å; V57-L122 HydrophobicContact CB-CD1 4.04Å; V57-L122 HydrophobicContact CG2-CD1 4.08Å; V57-V130 HydrophobicContact CG2-CG1 3.99Å; V57-N131 PolarHBondContact N-O 3.12Å; V57-N131 VanDerWaalsContact N-O 3.15Å; V57-F133 WeakPolarHBondContact O-CB 3.46Å; V57-S137 WeakPolarHBondContact O-CB 3.23Å; V57-S137 PolarHBondContact O-OG 2.96Å; V57-F139 HydrophobicContact CG1-CB 4.41Å; V57-F139 WeakPolarHBondContact CG1-O 3.4Å
58L98.7Very high97.3Very high0 Ų030 Ų300%016%0.16CC..  trans-92.7-163.7-179.5-57.6179.4000111.4V8 Y15 D43 E46 R47 I52 N56 F133 S137 S138 F139V8-L58 HydrophobicContact CG2-CD1 4.34Å; Y15-L58 HydrophobicContact CE1-CB 4.47Å; Y15-L58 HydrophobicContact CE1-CD1 4.12Å; D43-L58 HydrophobicContact CB-CD1 4.45Å; D43-L58 VanDerWaalsContact O-CD1 3.24Å; D43-L58 WeakPolarHBondContact O-CD1 3.34Å; E46-L58 HydrophobicContact CB-CD1 4.08Å; E46-L58 HydrophobicContact CB-CD2 3.73Å; R47-L58 HydrophobicContact CB-CD1 3.78Å; I52-L58 HydrophobicContact CG2-CD2 4Å; N56-L58 WeakPolarHBondContact OD1-CD2 3.18Å; N56-L58 WeakPolarHBondContact OD1-CG 3.25Å; L58-F133 HydrophobicContact CB-CD1 4.29Å; L58-F133 HydrophobicContact CD2-CB 4.1Å; L58-F133 HydrophobicContact CD2-CD1 3.95Å; L58-F133 HydrophobicContact CD2-CG 4.02Å; L58-S137 CarbonylContact O-C 3.5Å; L58-S137 VanDerWaalsContact O-CA 3.3Å; L58-S137 WeakPolarHBondContact O-CA 3.42Å; L58-S138 PolarHBondContact O-N 3.45Å; L58-F139 HydrophobicContact CB-CD2 3.76Å; L58-F139 HydrophobicContact CB-CE2 3.86Å; L58-F139 WeakPolarHBondContact O-CB 3.41Å; L58-F139 WeakPolarHBondContact O-CG 3.5Å; L58-F139 PolarHBondContact O-N 3.08Å
59G98.5Very high97.4Very high0 Ų029.4 Ų29.40%016%0.158CC..  trans95.2119.3-177.600000111.5D43 S137 S138 F139D43-G59 WeakPolarHBondContact OD1-CA 3.37Å; D43-G59 PolarHBondContact OD1-N 2.81Å; D43-G59 VanDerWaalsContact OD1-N 3.11Å; G59-S137 PolarHBondContact O-N 3.28Å; G59-S138 PolarHBondContact O-N 3.33Å; G59-S138 PolarHBondContact O-OG 2.96Å; G59-F139 VanDerWaalsContact CA-CZ 3.47Å; G59-F139 VanDerWaalsContact N-CD2 3.32Å; G59-F139 VanDerWaalsContact N-CE2 3.34Å
60H98Very high97.6Very high2 Ų228.5 Ų28.51%0.00915%0.149CC..  trans-140.422.4-177.363.2-75.1000112.6C40 D43 F133 F134 Q136 S138 C167C40-H60 VanDerWaalsContact CB-CE1 3.43Å; C40-H60 WeakPolarHBondContact CB-CE1 3.35Å; D43-H60 VanDerWaalsContact CG-CE1 3.4Å; D43-H60 VanDerWaalsContact CG-ND1 3.34Å; D43-H60 IonicContact OD1-CE1 3.07Å; D43-H60 PolarHBondContact OD1-CE1 2.88Å; D43-H60 VanDerWaalsContact OD1-CE1 3.27Å; D43-H60 IonicContact OD1-ND1 2.92Å; D43-H60 PolarHBondContact OD1-ND1 2.93Å; D43-H60 IonicContact OD2-CE1 3.53Å; D43-H60 PolarHBondContact OD2-CE1 2.82Å; D43-H60 IonicContact OD2-ND1 2.71Å; D43-H60 PolarHBondContact OD2-ND1 2.73Å; H60-F133 HydrophobicContact CB-CD1 4.27Å; H60-F133 HydrophobicContact CB-CE1 3.98Å; H60-F133 AromaticContact CG-CE1 3.8Å; H60-F133 AromaticContact ND1-CE1 3.38Å; H60-F133 WeakPolarHBondContact ND1-CE1 3.39Å; H60-F134 HydrophobicContact CB-CB 3.6Å; H60-F134 HydrophobicContact CB-CD1 3.69Å; H60-F134 HydrophobicContact CB-CD2 4.33Å; H60-F134 HydrophobicContact CB-CE1 4.37Å; H60-F134 HydrophobicContact CB-CG 3.64Å; H60-Q136 PolarHBondContact O-OE1 3.25Å; H60-S138 PolarHBondContact N-OG 3.38Å; H60-C167 PolarHBondContact CD2-SG 3.04Å; H60-C167 PolarHBondContact NE2-SG 3.3Å
61E98.5Very high97.9Very high0 Ų032.8 Ų32.80%017%0.172CC..  trans-134.239-179.9-73.2-170.5174.300110S37 G38 G163 P164 C167 G168 K359S37-E61 CarbonylContact C-O 3.54Å; S37-E61 VanDerWaalsContact CA-O 3.27Å; S37-E61 WeakPolarHBondContact CA-O 3.39Å; S37-E61 PolarHBondContact OG-O 3.34Å; G38-E61 WeakPolarHBondContact CA-OE2 3.31Å; G38-E61 PolarHBondContact N-O 3.22Å; E61-G163 CarbonylContact C-O 3.59Å; E61-G163 WeakPolarHBondContact CA-O 3.34Å; E61-G163 CarbonylContact O-C 3.59Å; E61-G163 WeakPolarHBondContact O-CA 3.49Å; E61-P164 WeakPolarHBondContact OE2-CA 3.37Å; E61-C167 HydrophobicContact CG-CB 3.59Å; E61-G168 PolarHBondContact OE1-N 3.18Å; E61-G168 VanDerWaalsContact OE1-N 3.11Å; E61-K359 VanDerWaalsContact CD-NZ 3.26Å; E61-K359 IonicContact OE1-NZ 3.45Å; E61-K359 PolarHBondContact OE1-NZ 3.02Å; E61-K359 IonicContact OE2-NZ 3.04Å; E61-K359 PolarHBondContact OE2-NZ 2.99Å
62G98.7Very high98.2Very high0 Ų033.1 Ų33.10%018%0.177CC..EExtended strand (participates in β ladder)trans-82.8144.718000000114.4A36 L84 S138A36-G62 WeakPolarHBondContact O-CA 3.46Å; G62-L84 WeakPolarHBondContact O-CB 3.12Å; G62-L84 PolarHBondContact O-N 3.13Å; G62-S138 PolarHBondContact N-OG 3.38Å
63A98.8Very high98.3Very high1 Ų133.6 Ų33.61%0.00818%0.18CC..EExtended strand (participates in β ladder)trans-133.2143.7168.700000109.7V35 A36 V82 L159 L162V35-A63 PolarHBondContact N-O 3.45Å; A36-A63 PolarHBondContact N-O 2.88Å; A36-A63 PolarHBondContact O-N 3.21Å; A63-V82 WeakPolarHBondContact CA-O 3.36Å; A63-L159 HydrophobicContact CB-CD1 3.82Å; A63-L159 HydrophobicContact CB-CG 3.94Å; A63-L159 VanDerWaalsContact CB-O 3.29Å; A63-L159 WeakPolarHBondContact CB-O 3.44Å; A63-L162 HydrophobicContact CB-CB 4.27Å
64G98.7Very high98.3Very high0 Ų034.5 Ų34.50%019%0.19CC..EExtended strand (participates in β ladder)trans-171.1-177-170.100000114.4K33 V82 L159K33-G64 CarbonylContact O-C 3.6Å; K33-G64 WeakPolarHBondContact O-CA 3.43Å; G64-V82 PolarHBondContact N-O 2.92Å; G64-V82 WeakPolarHBondContact O-CG2 3.46Å; G64-V82 PolarHBondContact O-N 2.93Å; G64-L159 WeakPolarHBondContact O-CD2 3.33Å
65I98.7Very high98.2Very high39 Ų3934.3 Ų34.320%0.220%0.195CC..EExtended strand (participates in β ladder)trans-108130.6-177.3-56.5174.2000107.9V32 K33 V35 E67 D80 L159 Y368V32-I65 WeakPolarHBondContact CA-O 3.38Å; K33-I65 PolarHBondContact N-O 3.3Å; K33-I65 PolarHBondContact O-N 3.27Å; V35-I65 HydrophobicContact CG2-CD1 4.4Å; V35-I65 HydrophobicContact CG2-CG1 4.26Å; I65-E67 PolarHBondContact O-N 3.07Å; I65-D80 CarbonylContact C-O 3.59Å; I65-D80 WeakPolarHBondContact CA-O 3.5Å; I65-L159 HydrophobicContact CG1-CD2 3.99Å; I65-Y368 HydrophobicContact CD1-CD2 4.42Å; I65-Y368 HydrophobicContact CD1-CE2 4.39Å
66V98.8Very high98.2Very high2 Ų233.5 Ų33.51%0.01219%0.189CC..EExtended strand (participates in β ladder)trans-62.7119.6174.9179.40000108.6V30 V69 V76 E77 P78 G79 D80 V82V30-V66 HydrophobicContact CG1-CG1 4.01Å; V30-V66 HydrophobicContact CG1-CG2 4.15Å; V66-V69 HydrophobicContact CG1-CG1 3.51Å; V66-V76 HydrophobicContact CG2-CB 4.27Å; V66-V76 HydrophobicContact CG2-CG2 4.27Å; V66-E77 WeakPolarHBondContact CB-O 3.36Å; V66-P78 CarbonylContact O-C 3.59Å; V66-P78 WeakPolarHBondContact O-CA 3.48Å; V66-G79 PolarHBondContact O-N 2.95Å; V66-D80 HydrophobicContact CB-CB 4.41Å; V66-D80 HydrophobicContact CG2-CB 4.06Å; V66-D80 PolarHBondContact N-O 3.48Å; V66-V82 HydrophobicContact CG2-CG1 3.61Å; V66-V82 HydrophobicContact CG2-CG2 4.05Å
67E98.5Very high98.2Very high98 Ų9839.3 Ų39.346%0.45822%0.217SC..EExtended strand (participates in β ladder)trans-92-45.3179.7-178.270.1-160.900110.4L31 I65 Y142L31-E67 HydrophobicContact CD2-CB 4.18Å; L31-E67 HydrophobicContact CD2-CG 4.08Å; L31-E67 HydrophobicContact CG-CB 4.19Å; L31-E67 PolarHBondContact O-N 3.12Å; I65-E67 PolarHBondContact O-N 3.07Å; E67-Y142 HydrophobicContact CB-CE1 4.33Å; E67-Y142 HydrophobicContact CG-CE1 4.14Å
68K98.5Very high98.2Very high117 Ų11743 Ų4351%0.50924%0.241SC..EExtended strand (participates in β ladder)trans-152.3149-176.6-172.1174.8176.7-173.90110.2V25 L31V25-K68 HydrophobicContact CB-CD 4.31Å; V25-K68 HydrophobicContact CG1-CG 4.42Å; V25-K68 HydrophobicContact CG2-CB 4.47Å; V25-K68 HydrophobicContact CG2-CD 4.02Å; V25-K68 HydrophobicContact CG2-CG 4.38Å; L31-K68 HydrophobicContact CB-CB 4.17Å; L31-K68 HydrophobicContact CD2-CB 4.26Å; L31-K68 PolarHBondContact N-O 2.89Å; L31-K68 PolarHBondContact O-N 3.06Å
69V98.6Very high98.1Very high38 Ų3844.5 Ų44.523%0.2326%0.255CS..EExtended strand (participates in β ladder)trans-127.3148.9175.8-590000110.8D29 V30 V66 V73 V76D29-V69 CarbonylContact O-C 3.17Å; V30-V69 HydrophobicContact CG1-CG1 4.33Å; V66-V69 HydrophobicContact CG1-CG1 3.51Å; V69-V73 HydrophobicContact CB-CB 3.94Å; V69-V73 HydrophobicContact CB-CG1 3.92Å; V69-V73 HydrophobicContact CB-CG2 4.33Å; V69-V73 HydrophobicContact CG1-CG1 4.02Å; V69-V76 HydrophobicContact CG1-CG2 4.23Å
70G98Very high98.2Very high7 Ų744.8 Ų44.87%0.07226%0.257CS..  trans-68.4159.7168.300000112G26 S27 D29 A72 V73G26-G70 WeakPolarHBondContact O-CA 3.33Å; S27-G70 CarbonylContact O-C 3.39Å; S27-G70 VanDerWaalsContact O-CA 3.25Å; S27-G70 WeakPolarHBondContact O-CA 3.12Å; D29-G70 PolarHBondContact O-N 3.28Å; G70-A72 PolarHBondContact O-N 3.2Å; G70-V73 WeakPolarHBondContact O-CB 3.33Å; G70-V73 PolarHBondContact O-N 2.86Å; G70-V73 VanDerWaalsContact O-N 3.15Å
71N97.5Very high98.2Very high147 Ų14745.7 Ų45.779%0.78626%0.261SS*.THydrogen-bonded Turntrans-69.7-14.7-174.665.5-7.2000115.4S27S27-N71 WeakPolarHBondContact CA-OD1 3.13Å; S27-N71 WeakPolarHBondContact CB-OD1 3.35Å; S27-N71 PolarHBondContact O-N 3.07Å
72A97.1Very high98.2Very high48 Ų4845.7 Ų45.740%0.39726%0.261SS..THydrogen-bonded Turntrans-94.2-8.1175.300000112.6S27 K28 G70S27-A72 VanDerWaalsContact O-CB 3.32Å; S27-A72 WeakPolarHBondContact O-CB 3.45Å; S27-A72 PolarHBondContact O-N 2.98Å; K28-A72 HydrophobicContact CG-CB 4.28Å; G70-A72 PolarHBondContact O-N 3.2Å
73V98.1Very high98.2Very high15 Ų1545.7 Ų45.79%0.09126%0.261CS..  trans-74.7132.4177174.30000109.8V30 V69 G70 V76 E147V30-V73 HydrophobicContact CG2-CG1 3.98Å; V30-V73 HydrophobicContact CG2-CG2 3.99Å; V69-V73 HydrophobicContact CB-CB 3.94Å; V69-V73 HydrophobicContact CB-CG1 3.92Å; V69-V73 HydrophobicContact CB-CG2 4.33Å; V69-V73 HydrophobicContact CG1-CG1 4.02Å; G70-V73 WeakPolarHBondContact O-CB 3.33Å; G70-V73 PolarHBondContact O-N 2.86Å; G70-V73 VanDerWaalsContact O-N 3.15Å; V73-V76 HydrophobicContact CG1-CG2 3.97Å; V73-E147 HydrophobicContact CB-CG 4.21Å; V73-E147 HydrophobicContact CG1-CG 3.73Å; V73-E147 HydrophobicContact CG2-CG 4.01Å
74T97Very high98.2Very high126 Ų12645.7 Ų45.777%0.77326%0.261SS*.  trans-131-16.2-177.459.70000113.7E147T74-E147 PolarHBondContact N-OE1 2.61Å
75S95.7Very high98.1Very high51 Ų5145.8 Ų45.836%0.35726%0.262SS..SBendtrans-82-19.9-174.566.70000114.9E147S75-E147 WeakPolarHBondContact CB-OE1 3.49Å; S75-E147 PolarHBondContact N-OE1 3.44Å; S75-E147 PolarHBondContact OG-OE1 2.91Å; S75-E147 VanDerWaalsContact OG-OE1 3.12Å
76V98.3Very high97.9Very high12 Ų1244 Ų447%0.07325%0.253CS..  trans-146.6158.5-176.6-68.60000111.2V30 V66 V69 V73 V82 V150 K152V30-V76 HydrophobicContact CG1-CG2 4.09Å; V30-V76 HydrophobicContact CG2-CG2 4.13Å; V66-V76 HydrophobicContact CG2-CB 4.27Å; V66-V76 HydrophobicContact CG2-CG2 4.27Å; V69-V76 HydrophobicContact CG1-CG2 4.23Å; V73-V76 HydrophobicContact CG1-CG2 3.97Å; V76-V82 HydrophobicContact CG1-CG1 4.19Å; V76-V150 HydrophobicContact CG1-CG1 3.75Å; V76-V150 HydrophobicContact CG2-CG1 4.26Å; V76-K152 HydrophobicContact CG1-CB 4.14Å
77E98.4Very high97.7Very high123 Ų12344 Ų4458%0.57525%0.252SS*.  trans-134161.9176.666.6-175.3160.800111.8V66 G79 D80V66-E77 WeakPolarHBondContact CB-O 3.36Å; E77-G79 PolarHBondContact O-N 3.02Å; E77-D80 PolarHBondContact N-OD2 3.25Å; E77-D80 VanDerWaalsContact O-CB 3.3Å; E77-D80 WeakPolarHBondContact O-CB 3.4Å; E77-D80 PolarHBondContact O-N 3.2Å; E77-D80 VanDerWaalsContact O-N 3.11Å
78P98.6Very high97.6Very high78 Ų7842.4 Ų42.451%0.50624%0.243SC..THydrogen-bonded Turntrans-50.5135.3175.8-29.137.2000113.4V66V66-P78 CarbonylContact O-C 3.59Å; V66-P78 WeakPolarHBondContact O-CA 3.48Å
79G98.2Very high97.4Very high30 Ų3038.3 Ų38.331%0.30923%0.228SC..THydrogen-bonded Turntrans89.2-6.1-17600000114.8V66 E77 K155V66-G79 PolarHBondContact O-N 2.95Å; E77-G79 PolarHBondContact O-N 3.02Å; G79-K155 VanDerWaalsContact O-CE 3.25Å; G79-K155 WeakPolarHBondContact O-CE 3.38Å; G79-K155 PolarHBondContact O-NZ 3.5Å
80D98.5Very high97.2Very high6 Ų638.6 Ų38.63%0.03224%0.239CC..  trans-67.8139.9171.6-80.9-23.6000111.9I65 V66 E77 V82 K152I65-D80 CarbonylContact C-O 3.59Å; I65-D80 WeakPolarHBondContact CA-O 3.5Å; V66-D80 HydrophobicContact CB-CB 4.41Å; V66-D80 HydrophobicContact CG2-CB 4.06Å; V66-D80 PolarHBondContact N-O 3.48Å; E77-D80 PolarHBondContact N-OD2 3.25Å; E77-D80 VanDerWaalsContact O-CB 3.3Å; E77-D80 WeakPolarHBondContact O-CB 3.4Å; E77-D80 PolarHBondContact O-N 3.2Å; E77-D80 VanDerWaalsContact O-N 3.11Å; D80-V82 HydrophobicContact CB-CG1 4.48Å; D80-K152 VanDerWaalsContact CG-CE 3.43Å; D80-K152 WeakPolarHBondContact OD1-CE 3.41Å; D80-K152 IonicContact OD1-NZ 3.28Å; D80-K152 PolarHBondContact OD1-NZ 3.44Å; D80-K152 WeakPolarHBondContact OD2-CE 3.31Å; D80-K152 IonicContact OD2-NZ 2.74Å; D80-K152 PolarHBondContact OD2-NZ 3.49Å
81H98.6Very high97.1Very high22 Ų2244.5 Ų44.510%0.10227%0.265CS..EExtended strand (participates in β ladder)trans-85.6133.5170.6-72.6-160.8000108.8V153 K155 L159H81-V153 HydrophobicContact CB-CG2 3.98Å; H81-V153 WeakPolarHBondContact O-CG2 3.47Å; H81-V153 PolarHBondContact O-N 3.09Å; H81-K155 HydrophobicContact CB-CG 4.31Å; H81-L159 HydrophobicContact CB-CD1 4.15Å; H81-L159 HydrophobicContact CB-CD2 4.23Å
82V98.8Very high97.1Very high0 Ų038 Ų380%023%0.231CC..EExtended strand (participates in β ladder)trans-138.2146.3-174.6-62.10000112.4V32 A63 G64 V66 V76 D80 L84 V150 V151V32-V82 HydrophobicContact CG1-CG2 3.76Å; V32-V82 HydrophobicContact CG2-CG2 3.97Å; A63-V82 WeakPolarHBondContact CA-O 3.36Å; G64-V82 PolarHBondContact N-O 2.92Å; G64-V82 WeakPolarHBondContact O-CG2 3.46Å; G64-V82 PolarHBondContact O-N 2.93Å; V66-V82 HydrophobicContact CG2-CG1 3.61Å; V66-V82 HydrophobicContact CG2-CG2 4.05Å; V76-V82 HydrophobicContact CG1-CG1 4.19Å; D80-V82 HydrophobicContact CB-CG1 4.48Å; V82-L84 HydrophobicContact CG2-CD2 4.48Å; V82-V150 HydrophobicContact CB-CG1 3.75Å; V82-V150 HydrophobicContact CG1-CG1 3.4Å; V82-V150 HydrophobicContact CG2-CG1 4.29Å; V82-V151 CarbonylContact C-O 3.5Å; V82-V151 VanDerWaalsContact CA-O 3.28Å; V82-V151 WeakPolarHBondContact CA-O 3.36Å
83I98.7Very high97.2Very high0 Ų042 Ų420%024%0.239CC..EExtended strand (participates in β ladder)trans-98.1137.5159.9-57.3168000107.2V151 V153 L162 L165 L319 I323I83-V151 HydrophobicContact CB-CB 4.48Å; I83-V151 PolarHBondContact N-O 3.09Å; I83-V151 PolarHBondContact O-N 3.3Å; I83-V153 HydrophobicContact CD1-CG1 3.67Å; I83-V153 HydrophobicContact CG1-CG1 3.88Å; I83-V153 HydrophobicContact CG1-CG2 4.42Å; I83-L162 HydrophobicContact CD1-CB 3.82Å; I83-L162 HydrophobicContact CD1-CD1 4.49Å; I83-L162 HydrophobicContact CG1-CB 3.74Å; I83-L165 HydrophobicContact CD1-CB 4.23Å; I83-L165 HydrophobicContact CD1-CD1 4.05Å; I83-L319 HydrophobicContact CB-CD1 4.35Å; I83-L319 HydrophobicContact CD1-CB 4.27Å; I83-L319 HydrophobicContact CD1-CD1 4.34Å; I83-L319 HydrophobicContact CG2-CD1 3.92Å; I83-I323 HydrophobicContact CD1-CD1 4.07Å
84L98.6Very high97.2Very high0 Ų044.6 Ų44.60%025%0.25CS..EExtended strand (participates in β ladder)trans-95124.8169.8-62.5-174.4000108.8V32 I34 G62 V82 Q136 T145 N149 V150V32-L84 HydrophobicContact CG2-CD2 4.21Å; I34-L84 HydrophobicContact CD1-CD1 3.88Å; G62-L84 WeakPolarHBondContact O-CB 3.12Å; G62-L84 PolarHBondContact O-N 3.13Å; V82-L84 HydrophobicContact CG2-CD2 4.48Å; L84-Q136 VanDerWaalsContact CB-CD 3.48Å; L84-Q136 HydrophobicContact CB-CG 4.24Å; L84-Q136 HydrophobicContact CD1-CG 3.75Å; L84-T145 HydrophobicContact CD2-CG2 3.83Å; L84-N149 CarbonylContact C-O 3.57Å; L84-N149 WeakPolarHBondContact CA-O 3.49Å; L84-V150 HydrophobicContact CD2-CG2 3.83Å
85S96.9Very high97.2Very high3 Ų339.4 Ų39.42%0.02122%0.219CC..  trans-113.5-153.9174-165.80000109.3N149 G166S85-N149 PolarHBondContact N-O 3.38Å; S85-N149 PolarHBondContact O-ND2 3.16Å; S85-G166 PolarHBondContact OG-O 3.2Å
86Y94.7Very high97.3Very high2 Ų242 Ų421%0.00823%0.233CC..  trans-80.4154.3177.956.5-83.9000113Y88 P100 W106 F134 N149 I310 T313 A315Y86-Y88 HydrophobicContact CD2-CD1 4.2Å; Y86-Y88 HydrophobicContact CE2-CD1 4.01Å; Y86-P100 HydrophobicContact CE2-CB 4.03Å; Y86-P100 HydrophobicContact CE2-CG 4.19Å; Y86-P100 WeakPolarHBondContact OH-CG 3.25Å; Y86-W106 HydrophobicContact CD1-CH2 4.35Å; Y86-W106 HydrophobicContact CD1-CZ3 4.48Å; Y86-W106 HydrophobicContact CD2-CE3 4.28Å; Y86-W106 AromaticContact CD2-CH2 3.93Å; Y86-W106 HydrophobicContact CD2-CH2 3.93Å; Y86-W106 AromaticContact CD2-CZ3 3.34Å; Y86-W106 HydrophobicContact CD2-CZ3 3.34Å; Y86-W106 AromaticContact CE2-CZ3 3.94Å; Y86-W106 HydrophobicContact CE2-CZ3 3.94Å; Y86-W106 AromaticContact CG-CH2 3.7Å; Y86-W106 HydrophobicContact CG-CH2 3.7Å; Y86-W106 AromaticContact CG-CZ3 3.64Å; Y86-W106 HydrophobicContact CG-CZ3 3.64Å; Y86-F134 VanDerWaalsContact CB-CE1 3.4Å; Y86-N149 VanDerWaalsContact C-ND2 3.34Å; Y86-I310 HydrophobicContact CD1-CB 4.12Å; Y86-I310 HydrophobicContact CD1-CD1 3.86Å; Y86-I310 HydrophobicContact CD1-CG1 3.6Å; Y86-I310 HydrophobicContact CD1-CG2 3.57Å; Y86-I310 HydrophobicContact CE1-CB 4.13Å; Y86-I310 HydrophobicContact CE1-CG1 3.77Å; Y86-I310 HydrophobicContact CE1-CG2 3.29Å; Y86-I310 HydrophobicContact CE2-CG2 4.33Å; Y86-I310 HydrophobicContact CG-CG2 4.22Å; Y86-T313 PolarHBondContact OH-O 2.81Å; Y86-A315 HydrophobicContact CE1-CB 4.27Å
87A95.6Very high97.2Very high0 Ų046.8 Ų46.80%025%0.254CS..  trans-84.6152.3172.600000111.7V109 N110 N135 N149A87-V109 HydrophobicContact CB-CB 4.03Å; A87-V109 HydrophobicContact CB-CG2 3.81Å; A87-N110 WeakPolarHBondContact CB-OD1 3.18Å; A87-N110 PolarHBondContact N-OD1 2.93Å; A87-N110 PolarHBondContact O-ND2 3.32Å; A87-N135 HydrophobicContact CB-CB 3.91Å; A87-N149 WeakPolarHBondContact CB-OD1 3.5Å; A87-N149 PolarHBondContact N-ND2 2.73Å
88Y96Very high97.1Very high65 Ų6542.1 Ų42.126%0.25524%0.239SC..  trans-152.5159.5173.458.7-86.5000110.6Y86 P100 S148Y86-Y88 HydrophobicContact CD2-CD1 4.2Å; Y86-Y88 HydrophobicContact CE2-CD1 4.01Å; Y88-P100 HydrophobicContact CD1-CB 3.78Å; Y88-P100 HydrophobicContact CD2-CB 3.72Å; Y88-P100 HydrophobicContact CE1-CB 4.25Å; Y88-P100 HydrophobicContact CE2-CB 4.21Å; Y88-P100 HydrophobicContact CG-CB 3.51Å; Y88-S148 WeakPolarHBondContact CE1-O 3.35Å; Y88-S148 PolarHBondContact N-OG 3.39Å; Y88-S148 WeakPolarHBondContact O-CB 3.47Å; Y88-S148 PolarHBondContact O-OG 3.29Å
89C94.9Very high97Very high31 Ų3141.9 Ų41.921%0.20923%0.231CC..  trans-79-23.7-171.570.40000114.7E91 C92 C103 K105C89-E91 HydrophobicContact CB-CG 4.08Å; C89-E91 PolarHBondContact O-N 3Å; C89-E91 VanDerWaalsContact O-N 3.13Å; C89-C92 PolarHBondContact SG-N 3.34Å; C89-C92 VanDerWaalsContact SG-N 3.39Å; C89-C92 VanDerWaalsContact SG-SG 3.62Å; C89-C103 PolarHBondContact N-SG 3.37Å; C89-K105 HydrophobicContact CB-CB 4.3Å; C89-K105 HydrophobicContact CB-CD 3.86Å; C89-K105 HydrophobicContact CB-CG 4.33Å
90G93.4Very high97Very high44 Ų4440.7 Ų40.745%0.45422%0.218SC..SBendtrans74.3-8.4-179.500000115.6
91E96.2Very high96.8Very high131 Ų13140.5 Ų40.561%0.61222%0.217SC*.  trans-116.4-24.2-170.864.2-174.7-178.400114.8C89 K105C89-E91 HydrophobicContact CB-CG 4.08Å; C89-E91 PolarHBondContact O-N 3Å; C89-E91 VanDerWaalsContact O-N 3.13Å; E91-K105 IonicContact OE1-NZ 3.36Å; E91-K105 PolarHBondContact OE1-NZ 2.92Å
92C97.8Very high96.8Very high12 Ų1242 Ų428%0.08123%0.23CC..SBendtrans-71162.4179.177.50000111.6C89 H94 C95 V96 E104C89-C92 PolarHBondContact SG-N 3.34Å; C89-C92 VanDerWaalsContact SG-N 3.39Å; C89-C92 VanDerWaalsContact SG-SG 3.62Å; C92-H94 VanDerWaalsContact C-N 3.29Å; C92-H94 PolarHBondContact O-N 3.08Å; C92-C95 PolarHBondContact O-N 2.89Å; C92-C95 VanDerWaalsContact O-N 3.09Å; C92-C95 PolarHBondContact SG-SG 2.99Å; C92-V96 WeakPolarHBondContact O-CG2 3.26Å; C92-V96 PolarHBondContact O-N 2.95Å; C92-E104 HydrophobicContact CB-CB 4.14Å; C92-E104 HydrophobicContact CB-CG 3.93Å
93K98.1Very high96.7Very high131 Ų13142.3 Ų42.357%0.5723%0.232SC*.Hα-helixtrans-50.1-48.7-178.4-179.6-178.3173.7-1750112.2C95 V96 E97K93-C95 PolarHBondContact O-N 3.21Å; K93-V96 PolarHBondContact O-N 2.83Å; K93-E97 VanDerWaalsContact CE-CD 3.41Å; K93-E97 WeakPolarHBondContact CE-OE1 3.34Å; K93-E97 WeakPolarHBondContact CE-OE2 3.43Å; K93-E97 HydrophobicContact CG-CG 4.39Å; K93-E97 IonicContact NZ-OE1 2.75Å; K93-E97 WeakPolarHBondContact O-CB 3.42Å; K93-E97 WeakPolarHBondContact O-CG 3.44Å; K93-E97 PolarHBondContact O-N 3.5Å
94H97.7Very high96.7Very high69 Ų6948.9 Ų48.932%0.31926%0.263SS..Hα-helixtrans-64.2-41.1-178.4-59.4-56.4000113C92 V96 E97 G98 H99 S102C92-H94 VanDerWaalsContact C-N 3.29Å; C92-H94 PolarHBondContact O-N 3.08Å; H94-V96 VanDerWaalsContact C-N 3.34Å; H94-V96 PolarHBondContact O-N 3.5Å; H94-E97 PolarHBondContact O-N 3.2Å; H94-G98 PolarHBondContact O-N 2.84Å; H94-H99 HydrophobicContact CB-CB 4.45Å; H94-H99 CarbonylContact O-C 3.58Å; H94-H99 WeakPolarHBondContact O-CA 3.4Å; H94-H99 PolarHBondContact O-N 3.3Å; H94-S102 WeakPolarHBondContact CB-O 3.27Å; H94-S102 PolarHBondContact CD2-O 3.31Å
95C97.4Very high96.5Very high17 Ų1753.3 Ų53.312%0.11528%0.282CS..Hα-helixtrans-62.3-43.5175.1-700000111.5C92 K93 E97 G98C92-C95 PolarHBondContact O-N 2.89Å; C92-C95 VanDerWaalsContact O-N 3.09Å; C92-C95 PolarHBondContact SG-SG 2.99Å; K93-C95 PolarHBondContact O-N 3.21Å; C95-E97 VanDerWaalsContact C-N 3.33Å; C95-E97 PolarHBondContact O-N 2.87Å; C95-G98 PolarHBondContact O-N 2.82Å
96V97.2Very high96.5Very high107 Ų10754.9 Ų54.965%0.64829%0.288SS*.Hα-helixtrans-68.8-32.4-179.6176.60000111.9C92 K93 H94 G98C92-V96 WeakPolarHBondContact O-CG2 3.26Å; C92-V96 PolarHBondContact O-N 2.95Å; K93-V96 PolarHBondContact O-N 2.83Å; H94-V96 VanDerWaalsContact C-N 3.34Å; H94-V96 PolarHBondContact O-N 3.5Å; V96-G98 PolarHBondContact O-N 2.86Å
97E97.3Very high96.5Very high111 Ų11160.1 Ų60.152%0.51931%0.31SS..THydrogen-bonded Turntrans-79.31.4175.2-71.3176.4165.500113.6K93 H94 C95K93-E97 VanDerWaalsContact CE-CD 3.41Å; K93-E97 WeakPolarHBondContact CE-OE1 3.34Å; K93-E97 WeakPolarHBondContact CE-OE2 3.43Å; K93-E97 HydrophobicContact CG-CG 4.39Å; K93-E97 IonicContact NZ-OE1 2.75Å; K93-E97 WeakPolarHBondContact O-CB 3.42Å; K93-E97 WeakPolarHBondContact O-CG 3.44Å; K93-E97 PolarHBondContact O-N 3.5Å; H94-E97 PolarHBondContact O-N 3.2Å; C95-E97 VanDerWaalsContact C-N 3.33Å; C95-E97 PolarHBondContact O-N 2.87Å
98G96Very high96.4Very high25 Ų2563.5 Ų63.526%0.25833%0.332SS..THydrogen-bonded Turntrans88.716.5176.900000115.2H94 C95 V96 P100 I314H94-G98 PolarHBondContact O-N 2.84Å; C95-G98 PolarHBondContact O-N 2.82Å; V96-G98 PolarHBondContact O-N 2.86Å; G98-P100 WeakPolarHBondContact O-CD 3.44Å; G98-I314 WeakPolarHBondContact O-CG1 3.26Å
99H97.1Very high96.4Very high74 Ų7460.8 Ų60.834%0.34332%0.322SS..  trans-115.363.2177.3-63.1-78000111.9H94 S101 S102 D312H94-H99 HydrophobicContact CB-CB 4.45Å; H94-H99 CarbonylContact O-C 3.58Å; H94-H99 WeakPolarHBondContact O-CA 3.4Å; H94-H99 PolarHBondContact O-N 3.3Å; H99-S101 PolarHBondContact O-N 2.97Å; H99-S102 PolarHBondContact O-N 3.28Å; H99-D312 IonicContact CE1-OD2 2.97Å; H99-D312 IonicContact CG-OD1 3.75Å; H99-D312 IonicContact ND1-OD1 2.73Å; H99-D312 PolarHBondContact ND1-OD1 2.97Å; H99-D312 IonicContact ND1-OD2 2.81Å; H99-D312 PolarHBondContact ND1-OD2 3.14Å
100P96.7Very high96.5Very high4 Ų459.4 Ų59.43%0.02631%0.312CS..G310 helixtrans-65.2-21.3-178.528.5-35.6000113.3Y86 Y88 G98 S102 C103 I314Y86-P100 HydrophobicContact CE2-CB 4.03Å; Y86-P100 HydrophobicContact CE2-CG 4.19Å; Y86-P100 WeakPolarHBondContact OH-CG 3.25Å; Y88-P100 HydrophobicContact CD1-CB 3.78Å; Y88-P100 HydrophobicContact CD2-CB 3.72Å; Y88-P100 HydrophobicContact CE1-CB 4.25Å; Y88-P100 HydrophobicContact CE2-CB 4.21Å; Y88-P100 HydrophobicContact CG-CB 3.51Å; G98-P100 WeakPolarHBondContact O-CD 3.44Å; P100-S102 PolarHBondContact O-N 2.89Å; P100-C103 WeakPolarHBondContact O-CB 3.46Å; P100-C103 PolarHBondContact O-N 3.2Å; P100-C103 VanDerWaalsContact O-N 3.12Å; P100-I314 HydrophobicContact CG-CG1 4.33Å
101S96.1Very high96.5Very high3 Ų358.1 Ų58.12%0.02130%0.295CS..G310 helixtrans-57-28.4168.575.90000112.8H99 L309 D312H99-S101 PolarHBondContact O-N 2.97Å; S101-L309 WeakPolarHBondContact CB-O 3.03Å; S101-L309 VanDerWaalsContact O-CD2 3.27Å; S101-L309 WeakPolarHBondContact O-CD2 3.44Å; S101-D312 PolarHBondContact OG-OD1 3.44Å
102S97Very high96.4Very high54 Ų5455.4 Ų55.438%0.37828%0.284SS..G310 helixtrans-101.121.6-178.9-59.60000112H94 H99 P100 E104H94-S102 WeakPolarHBondContact CB-O 3.27Å; H94-S102 PolarHBondContact CD2-O 3.31Å; H99-S102 PolarHBondContact O-N 3.28Å; P100-S102 PolarHBondContact O-N 2.89Å; S102-E104 PolarHBondContact O-N 3.12Å
103C97.7Very high96.4Very high6 Ų654.9 Ų54.94%0.04128%0.281CS..  trans-52.7128.6177.5176.20000111.5C89 P100 K105 W106C89-C103 PolarHBondContact N-SG 3.37Å; P100-C103 WeakPolarHBondContact O-CB 3.46Å; P100-C103 PolarHBondContact O-N 3.2Å; P100-C103 VanDerWaalsContact O-N 3.12Å; C103-K105 PolarHBondContact O-N 3.34Å; C103-K105 VanDerWaalsContact O-N 3.12Å; C103-K105 PolarHBondContact SG-N 3.3Å; C103-K105 VanDerWaalsContact SG-N 3.37Å; C103-W106 HydrophobicContact CB-CB 4.41Å; C103-W106 WeakPolarHBondContact O-CB 3.37Å; C103-W106 PolarHBondContact O-N 2.92Å
104E97.5Very high96.3Very high138 Ų13851.7 Ų51.765%0.64527%0.267SS*.THydrogen-bonded Turntrans-59.4-27.6177.8-67.6175.2-165.200112.7C92 S102C92-E104 HydrophobicContact CB-CB 4.14Å; C92-E104 HydrophobicContact CB-CG 3.93Å; S102-E104 PolarHBondContact O-N 3.12Å
105K96.1Very high96.2Very high93 Ų9348.7 Ų48.740%0.40425%0.253SS..THydrogen-bonded Turntrans-92.57.4177.3-62.7-176178.81690113.5C89 E91 C103 F107 T108 V109C89-K105 HydrophobicContact CB-CB 4.3Å; C89-K105 HydrophobicContact CB-CD 3.86Å; C89-K105 HydrophobicContact CB-CG 4.33Å; E91-K105 IonicContact OE1-NZ 3.36Å; E91-K105 PolarHBondContact OE1-NZ 2.92Å; C103-K105 PolarHBondContact O-N 3.34Å; C103-K105 VanDerWaalsContact O-N 3.12Å; C103-K105 PolarHBondContact SG-N 3.3Å; C103-K105 VanDerWaalsContact SG-N 3.37Å; K105-F107 PolarHBondContact O-N 2.94Å; K105-T108 WeakPolarHBondContact O-CA 3.46Å; K105-T108 WeakPolarHBondContact O-CB 3.29Å; K105-T108 PolarHBondContact O-N 3.35Å; K105-V109 HydrophobicContact CB-CG1 4.19Å; K105-V109 WeakPolarHBondContact O-CG2 3.38Å; K105-V109 PolarHBondContact O-N 3.06Å
106W95.8Very high95.9Very high36 Ų3650.1 Ų50.114%0.13626%0.262CS..Hα-helixtrans-44.2-56.5-173175.3-84.4000113.2Y86 C103 T108 V109 N110 F134 L309 I310Y86-W106 HydrophobicContact CD1-CH2 4.35Å; Y86-W106 HydrophobicContact CD1-CZ3 4.48Å; Y86-W106 HydrophobicContact CD2-CE3 4.28Å; Y86-W106 AromaticContact CD2-CH2 3.93Å; Y86-W106 HydrophobicContact CD2-CH2 3.93Å; Y86-W106 AromaticContact CD2-CZ3 3.34Å; Y86-W106 HydrophobicContact CD2-CZ3 3.34Å; Y86-W106 AromaticContact CE2-CZ3 3.94Å; Y86-W106 HydrophobicContact CE2-CZ3 3.94Å; Y86-W106 AromaticContact CG-CH2 3.7Å; Y86-W106 HydrophobicContact CG-CH2 3.7Å; Y86-W106 AromaticContact CG-CZ3 3.64Å; Y86-W106 HydrophobicContact CG-CZ3 3.64Å; C103-W106 HydrophobicContact CB-CB 4.41Å; C103-W106 WeakPolarHBondContact O-CB 3.37Å; C103-W106 PolarHBondContact O-N 2.92Å; W106-T108 VanDerWaalsContact C-N 3.31Å; W106-T108 PolarHBondContact O-N 3.36Å; W106-V109 WeakPolarHBondContact O-CG2 3.18Å; W106-V109 PolarHBondContact O-N 2.85Å; W106-N110 WeakPolarHBondContact O-CB 3.48Å; W106-N110 PolarHBondContact O-N 3.12Å; W106-N110 PolarHBondContact O-ND2 3.24Å; W106-F134 HydrophobicContact CH2-CZ 4.12Å; W106-F134 HydrophobicContact CZ2-CE2 4.09Å; W106-F134 AromaticContact CZ2-CZ 3.86Å; W106-F134 HydrophobicContact CZ2-CZ 3.86Å; W106-L309 HydrophobicContact CD2-CD2 3.84Å; W106-L309 HydrophobicContact CE3-CD2 4.11Å; W106-L309 HydrophobicContact CG-CD2 4.44Å; W106-L309 HydrophobicContact CH2-CD1 4.47Å; W106-L309 HydrophobicContact CH2-CD2 4.02Å; W106-L309 HydrophobicContact CH2-CG 4.09Å; W106-L309 HydrophobicContact CZ2-CD1 4.03Å; W106-L309 HydrophobicContact CZ2-CD2 3.74Å; W106-L309 HydrophobicContact CZ2-CG 4.01Å; W106-L309 HydrophobicContact CZ3-CD2 4.18Å; W106-I310 HydrophobicContact CH2-CB 4.39Å; W106-I310 HydrophobicContact CH2-CG2 3.96Å; W106-I310 HydrophobicContact CZ3-CG2 4.24Å
107F94.7Very high95.7Very high111 Ų11149.2 Ų49.249%0.48725%0.247SC..Hα-helixtrans-63.9-37.8-177.6-174-91.8000112.1K105 N111 L112K105-F107 PolarHBondContact O-N 2.94Å; F107-N111 HydrophobicContact CD2-CB 3.71Å; F107-N111 HydrophobicContact CE2-CB 3.66Å; F107-N111 HydrophobicContact CG-CB 4.22Å; F107-N111 HydrophobicContact CZ-CB 4.12Å; F107-N111 WeakPolarHBondContact O-CB 3.49Å; F107-N111 PolarHBondContact O-N 2.69Å; F107-L112 HydrophobicContact CE1-CD1 4.48Å; F107-L112 PolarHBondContact O-N 3.21Å
108T94.4Very high95.5Very high72 Ų7245.9 Ų45.944%0.44224%0.242SC..Hα-helixtrans-65-42179.8-59.40000111.3K105 W106 L112K105-T108 WeakPolarHBondContact O-CA 3.46Å; K105-T108 WeakPolarHBondContact O-CB 3.29Å; K105-T108 PolarHBondContact O-N 3.35Å; W106-T108 VanDerWaalsContact C-N 3.31Å; W106-T108 PolarHBondContact O-N 3.36Å; T108-L112 HydrophobicContact CG2-CD2 4.15Å; T108-L112 WeakPolarHBondContact O-CB 3.31Å
109V95.3Very high95.5Very high8 Ų849.3 Ų49.35%0.04825%0.252CS..Hα-helixtrans-87.2-26-175.3-58.10000113.4A87 K105 W106 P116A87-V109 HydrophobicContact CB-CB 4.03Å; A87-V109 HydrophobicContact CB-CG2 3.81Å; K105-V109 HydrophobicContact CB-CG1 4.19Å; K105-V109 WeakPolarHBondContact O-CG2 3.38Å; K105-V109 PolarHBondContact O-N 3.06Å; W106-V109 WeakPolarHBondContact O-CG2 3.18Å; W106-V109 PolarHBondContact O-N 2.85Å; V109-P116 HydrophobicContact CB-CG 4.39Å; V109-P116 HydrophobicContact CG1-CB 4.17Å; V109-P116 HydrophobicContact CG1-CG 4.2Å
110N96.3Very high95.5Very high1 Ų147.4 Ų47.41%0.00524%0.243CC..Hα-helixtrans-107.9-22.7-175.1-65.8-57.4000114.7A87 W106 F134A87-N110 WeakPolarHBondContact CB-OD1 3.18Å; A87-N110 PolarHBondContact N-OD1 2.93Å; A87-N110 PolarHBondContact O-ND2 3.32Å; W106-N110 WeakPolarHBondContact O-CB 3.48Å; W106-N110 PolarHBondContact O-N 3.12Å; W106-N110 PolarHBondContact O-ND2 3.24Å; N110-F134 HydrophobicContact CB-CD2 3.97Å; N110-F134 HydrophobicContact CB-CE2 4.23Å; N110-F134 HydrophobicContact CB-CG 4.46Å; N110-F134 VanDerWaalsContact O-CA 3.24Å; N110-F134 WeakPolarHBondContact O-CA 3.44Å; N110-F134 PolarHBondContact O-N 2.81Å
111N95.1Very high95.6Very high18 Ų1847.4 Ų47.410%0.09624%0.243CC..THydrogen-bonded Turntrans-125.1-15.5-170.1-64.880.5000114.4S51 F107 G113S51-N111 PolarHBondContact OG-ND2 2.98Å; F107-N111 HydrophobicContact CD2-CB 3.71Å; F107-N111 HydrophobicContact CE2-CB 3.66Å; F107-N111 HydrophobicContact CG-CB 4.22Å; F107-N111 HydrophobicContact CZ-CB 4.12Å; F107-N111 WeakPolarHBondContact O-CB 3.49Å; F107-N111 PolarHBondContact O-N 2.69Å; N111-G113 PolarHBondContact O-N 3.37Å
112L94.1Very high95.7Very high74 Ų7447.4 Ų47.439%0.38724%0.242SC..SBendtrans-73.9-10.6-173.9-164.661.9000114.2F107 T108F107-L112 HydrophobicContact CE1-CD1 4.48Å; F107-L112 PolarHBondContact O-N 3.21Å; T108-L112 HydrophobicContact CG2-CD2 4.15Å; T108-L112 WeakPolarHBondContact O-CB 3.31Å
113G96.8Very high95.8Very high1 Ų147.3 Ų47.31%0.0124%0.236CC..BIsolated β-bridgetrans88.12.5-179.900000115N111 N131 N132N111-G113 PolarHBondContact O-N 3.37Å; G113-N131 WeakPolarHBondContact O-CA 3.47Å; G113-N132 CarbonylContact C-O 3.58Å; G113-N132 WeakPolarHBondContact CA-O 3.44Å; G113-N132 PolarHBondContact O-N 3.19Å
114K96.8Very high95.8Very high64 Ų6448.4 Ų48.428%0.27824%0.242SC..SBendtrans-124.8157.4-174.9-67.6171.8167-153.30110G118 E119 F120K114-G118 WeakPolarHBondContact CD-O 3.29Å; K114-G118 PolarHBondContact NZ-O 3.05Å; K114-E119 WeakPolarHBondContact CA-O 3.39Å; K114-E119 WeakPolarHBondContact CB-O 3.47Å; K114-F120 HydrophobicContact CD-CE2 4.34Å; K114-F120 HydrophobicContact CD-CZ 4.38Å; K114-F120 HydrophobicContact CG-CD1 4.05Å; K114-F120 HydrophobicContact CG-CD2 4.38Å; K114-F120 HydrophobicContact CG-CE1 4Å; K114-F120 HydrophobicContact CG-CE2 4.36Å; K114-F120 HydrophobicContact CG-CG 4.26Å; K114-F120 HydrophobicContact CG-CZ 4.18Å
115N94.6Very high95.6Very high5 Ų549.6 Ų49.63%0.02725%0.248CC..  trans-65.8169.2168.772.311.3000110.8R117 G118 E119 I121N115-R117 VanDerWaalsContact ND2-CZ 3.27Å; N115-R117 PolarHBondContact ND2-NE 3.39Å; N115-R117 PolarHBondContact ND2-NH2 2.95Å; N115-R117 PolarHBondContact O-N 3.32Å; N115-R117 WeakPolarHBondContact OD1-CA 3.5Å; N115-R117 WeakPolarHBondContact OD1-CB 3.44Å; N115-R117 PolarHBondContact OD1-N 2.66Å; N115-G118 PolarHBondContact O-N 3.14Å; N115-G118 PolarHBondContact OD1-N 3.07Å; N115-G118 VanDerWaalsContact OD1-N 3.13Å; N115-E119 PolarHBondContact N-O 3.22Å; N115-E119 PolarHBondContact ND2-OE2 3.3Å; N115-E119 PolarHBondContact OD1-N 3.16Å; N115-I121 HydrophobicContact CB-CG2 4Å
116P91.7Very high95.6Very high47 Ų4751.3 Ų51.331%0.30526%0.261SS..THydrogen-bonded Turntrans-57.9-15.2179.2-29.838.6000115.9V109 E146V109-P116 HydrophobicContact CB-CG 4.39Å; V109-P116 HydrophobicContact CG1-CB 4.17Å; V109-P116 HydrophobicContact CG1-CG 4.2Å; P116-E146 HydrophobicContact CG-CG 4.34Å
117R92.3Very high95.6Very high88 Ų8851.9 Ų51.933%0.33228%0.278SS..THydrogen-bonded Turntrans-90.5-2.8176.6-56.9176.7-61.8-96.114.7113.3D29 N115 E119 E146D29-R117 IonicContact OD1-CZ 3.6Å; D29-R117 VanDerWaalsContact OD1-CZ 3.22Å; D29-R117 IonicContact OD1-NH1 3.79Å; D29-R117 PolarHBondContact OD1-NH1 3.13Å; D29-R117 IonicContact OD1-NH2 3.8Å; D29-R117 PolarHBondContact OD1-NH2 3.49Å; D29-R117 IonicContact OD2-CZ 3.06Å; D29-R117 IonicContact OD2-NH2 2.66Å; D29-R117 PolarHBondContact OD2-NH2 3.5Å; N115-R117 VanDerWaalsContact ND2-CZ 3.27Å; N115-R117 PolarHBondContact ND2-NE 3.39Å; N115-R117 PolarHBondContact ND2-NH2 2.95Å; N115-R117 PolarHBondContact O-N 3.32Å; N115-R117 WeakPolarHBondContact OD1-CA 3.5Å; N115-R117 WeakPolarHBondContact OD1-CB 3.44Å; N115-R117 PolarHBondContact OD1-N 2.66Å; R117-E119 HydrophobicContact CB-CG 4.33Å; R117-E119 IonicContact CZ-OE2 2.63Å; R117-E119 IonicContact NE-OE2 3.82Å; R117-E119 PolarHBondContact NE-OE2 3.23Å; R117-E119 IonicContact NH2-OE2 2.8Å; R117-E119 PolarHBondContact NH2-OE2 3.4Å; R117-E146 IonicContact CZ-OE1 2.88Å; R117-E146 IonicContact NH1-OE1 2.75Å; R117-E146 PolarHBondContact NH1-OE1 2.94Å
118G93.9Very high95.8Very high41 Ų4149.6 Ų49.642%0.42327%0.274SS..SBendtrans85.517.9178.300000114.5K114 N115K114-G118 WeakPolarHBondContact CD-O 3.29Å; K114-G118 PolarHBondContact NZ-O 3.05Å; N115-G118 PolarHBondContact O-N 3.14Å; N115-G118 PolarHBondContact OD1-N 3.07Å; N115-G118 VanDerWaalsContact OD1-N 3.13Å
119E96Very high96Very high98 Ų9851.1 Ų51.146%0.45828%0.276SS..  trans-100.9140.3-178.1-54.4160.1158.400110.3K114 N115 R117K114-E119 WeakPolarHBondContact CA-O 3.39Å; K114-E119 WeakPolarHBondContact CB-O 3.47Å; N115-E119 PolarHBondContact N-O 3.22Å; N115-E119 PolarHBondContact ND2-OE2 3.3Å; N115-E119 PolarHBondContact OD1-N 3.16Å; R117-E119 HydrophobicContact CB-CG 4.33Å; R117-E119 IonicContact CZ-OE2 2.63Å; R117-E119 IonicContact NE-OE2 3.82Å; R117-E119 PolarHBondContact NE-OE2 3.23Å; R117-E119 IonicContact NH2-OE2 2.8Å; R117-E119 PolarHBondContact NH2-OE2 3.4Å
120F97.7Very high96.1Very high34 Ų3450.8 Ų50.815%0.14927%0.274CS..  trans-74.4133.3163.4-71.1-78.7000109K114 H123 E129K114-F120 HydrophobicContact CD-CE2 4.34Å; K114-F120 HydrophobicContact CD-CZ 4.38Å; K114-F120 HydrophobicContact CG-CD1 4.05Å; K114-F120 HydrophobicContact CG-CD2 4.38Å; K114-F120 HydrophobicContact CG-CE1 4Å; K114-F120 HydrophobicContact CG-CE2 4.36Å; K114-F120 HydrophobicContact CG-CG 4.26Å; K114-F120 HydrophobicContact CG-CZ 4.18Å; F120-H123 PolarHBondContact O-CE1 2.96Å; F120-E129 HydrophobicContact CB-CB 4.32Å; F120-E129 HydrophobicContact CB-CG 4.3Å; F120-E129 HydrophobicContact CD1-CB 3.94Å; F120-E129 HydrophobicContact CD2-CB 3.77Å; F120-E129 HydrophobicContact CD2-CG 3.6Å; F120-E129 WeakPolarHBondContact CD2-OE1 3.36Å; F120-E129 WeakPolarHBondContact CD2-OE2 3.19Å; F120-E129 HydrophobicContact CE1-CB 4.1Å; F120-E129 HydrophobicContact CE2-CB 3.91Å; F120-E129 HydrophobicContact CE2-CG 3.94Å; F120-E129 WeakPolarHBondContact CE2-OE1 3.38Å; F120-E129 WeakPolarHBondContact CE2-OE2 3.46Å; F120-E129 HydrophobicContact CG-CB 3.76Å; F120-E129 HydrophobicContact CG-CG 3.95Å; F120-E129 HydrophobicContact CZ-CB 4.07Å
121I97.9Very high96.2Very high4 Ų451.3 Ų51.32%0.02128%0.276CS..  trans-107.3-9.8-178.459.2149.9000112.8L22 A23 N115 N132 L144L22-I121 CarbonylContact C-O 3.51Å; L22-I121 WeakPolarHBondContact CA-O 3.46Å; L22-I121 HydrophobicContact CD1-CD1 4.26Å; A23-I121 HydrophobicContact CB-CB 4.26Å; A23-I121 HydrophobicContact CB-CG2 4.46Å; A23-I121 PolarHBondContact N-O 2.9Å; N115-I121 HydrophobicContact CB-CG2 4Å; I121-N132 HydrophobicContact CD1-CB 4.16Å; I121-N132 VanDerWaalsContact CD1-ND2 3.28Å; I121-N132 WeakPolarHBondContact CD1-ND2 3.31Å; I121-N132 HydrophobicContact CG1-CB 3.9Å; I121-L144 HydrophobicContact CB-CD2 4.35Å; I121-L144 HydrophobicContact CD1-CB 3.97Å; I121-L144 WeakPolarHBondContact CD1-O 3.13Å; I121-L144 HydrophobicContact CG2-CD2 4.21Å
122L98.5Very high96.4Very high3 Ų350.5 Ų50.52%0.01627%0.272CS..EExtended strand (participates in β ladder)trans-124.2132.3-178.3-69.4168000109.1I3 L20 L22 V57 V130I3-L122 HydrophobicContact CD1-CD2 3.62Å; L20-L122 HydrophobicContact CD1-CD2 4.28Å; L22-L122 HydrophobicContact CD1-CD2 3.6Å; L22-L122 HydrophobicContact CD1-CG 4.32Å; V57-L122 HydrophobicContact CB-CD1 4.04Å; V57-L122 HydrophobicContact CG2-CD1 4.08Å; L122-V130 HydrophobicContact CB-CB 3.84Å; L122-V130 HydrophobicContact CB-CG1 4.29Å; L122-V130 PolarHBondContact O-N 2.97Å
123H98.5Very high96.5Very high52 Ų5247.1 Ų47.124%0.24125%0.254CS..EExtended strand (participates in β ladder)trans-135.6147.1176.1-5481.6000110.2L20 E21 F120 T128L20-H123 CarbonylContact C-O 3.6Å; L20-H123 WeakPolarHBondContact CA-O 3.44Å; E21-H123 HydrophobicContact CB-CB 4.46Å; E21-H123 PolarHBondContact N-O 2.61Å; E21-H123 PolarHBondContact O-N 3.44Å; F120-H123 PolarHBondContact O-CE1 2.96Å; H123-T128 VanDerWaalsContact CA-O 3.24Å; H123-T128 WeakPolarHBondContact CA-O 3.37Å
124T97.9Very high96.5Very high29 Ų2947.9 Ų47.918%0.17826%0.257CS..  trans-72.9168.5164.549.60000110.6L20 D126 G127 T128 V130L20-T124 HydrophobicContact CD2-CG2 3.86Å; T124-D126 WeakPolarHBondContact CB-OD1 3.3Å; T124-D126 PolarHBondContact O-N 3.29Å; T124-D126 PolarHBondContact OG1-OD1 2.86Å; T124-G127 PolarHBondContact O-N 3.27Å; T124-T128 PolarHBondContact N-O 2.8Å; T124-T128 WeakPolarHBondContact OG1-CA 3.38Å; T124-T128 WeakPolarHBondContact OG1-CB 3.47Å; T124-T128 PolarHBondContact OG1-N 3.3Å; T124-T128 PolarHBondContact OG1-O 3Å; T124-T128 PolarHBondContact OG1-OG1 2.86Å; T124-V130 HydrophobicContact CG2-CG2 3.94Å
125E94Very high96.5Very high162 Ų16244.9 Ų44.976%0.75724%0.244SC*.THydrogen-bonded Turntrans-59.7-29.3179.3-172.9171.8-153.100113.4G127E125-G127 VanDerWaalsContact C-N 3.25Å; E125-G127 PolarHBondContact O-N 3.18Å
126D95Very high96.7Very high129 Ų12944.7 Ų44.769%0.6924%0.243SC*.THydrogen-bonded Turntrans-82.42.217569.7-4.3000114.1T124 T128T124-D126 WeakPolarHBondContact CB-OD1 3.3Å; T124-D126 PolarHBondContact O-N 3.29Å; T124-D126 PolarHBondContact OG1-OD1 2.86Å; D126-T128 WeakPolarHBondContact OD1-CB 3.48Å; D126-T128 PolarHBondContact OD1-N 2.81Å; D126-T128 VanDerWaalsContact OD1-N 3.17Å; D126-T128 PolarHBondContact OD1-OG1 2.79Å
127G96.4Very high97Very high48 Ų4842.5 Ų42.550%0.49523%0.229SC..  trans86.17.9178.400000115.1T124 E125 E129T124-G127 PolarHBondContact O-N 3.27Å; E125-G127 VanDerWaalsContact C-N 3.25Å; E125-G127 PolarHBondContact O-N 3.18Å; G127-E129 PolarHBondContact O-N 2.9Å
128T98.1Very high97.3Very high63 Ų6338.3 Ų38.339%0.38721%0.214SC..  trans-64.1129.7174.5-52.50000110.6P55 H123 T124 D126P55-T128 HydrophobicContact CG-CG2 4.39Å; H123-T128 VanDerWaalsContact CA-O 3.24Å; H123-T128 WeakPolarHBondContact CA-O 3.37Å; T124-T128 PolarHBondContact N-O 2.8Å; T124-T128 WeakPolarHBondContact OG1-CA 3.38Å; T124-T128 WeakPolarHBondContact OG1-CB 3.47Å; T124-T128 PolarHBondContact OG1-N 3.3Å; T124-T128 PolarHBondContact OG1-O 3Å; T124-T128 PolarHBondContact OG1-OG1 2.86Å; D126-T128 WeakPolarHBondContact OD1-CB 3.48Å; D126-T128 PolarHBondContact OD1-N 2.81Å; D126-T128 VanDerWaalsContact OD1-N 3.17Å; D126-T128 PolarHBondContact OD1-OG1 2.79Å
129E98.5Very high97.5Very high105 Ų10536.4 Ų36.449%0.49119%0.193SC..EExtended strand (participates in β ladder)trans-66.3130.1176.1-63.8173.9148.300110.9F120 G127F120-E129 HydrophobicContact CB-CB 4.32Å; F120-E129 HydrophobicContact CB-CG 4.3Å; F120-E129 HydrophobicContact CD1-CB 3.94Å; F120-E129 HydrophobicContact CD2-CB 3.77Å; F120-E129 HydrophobicContact CD2-CG 3.6Å; F120-E129 WeakPolarHBondContact CD2-OE1 3.36Å; F120-E129 WeakPolarHBondContact CD2-OE2 3.19Å; F120-E129 HydrophobicContact CE1-CB 4.1Å; F120-E129 HydrophobicContact CE2-CB 3.91Å; F120-E129 HydrophobicContact CE2-CG 3.94Å; F120-E129 WeakPolarHBondContact CE2-OE1 3.38Å; F120-E129 WeakPolarHBondContact CE2-OE2 3.46Å; F120-E129 HydrophobicContact CG-CB 3.76Å; F120-E129 HydrophobicContact CG-CG 3.95Å; F120-E129 HydrophobicContact CZ-CB 4.07Å; G127-E129 PolarHBondContact O-N 2.9Å
130V98.7Very high97.7Very high0 Ų031.8 Ų31.80%017%0.172CC..EExtended strand (participates in β ladder)trans-115.5130.8178.4-179.10000109.7L7 L20 P55 V57 L122 T124 N132L7-V130 HydrophobicContact CD1-CG1 3.63Å; L7-V130 HydrophobicContact CD1-CG2 4.1Å; L20-V130 HydrophobicContact CD1-CG1 4.4Å; L20-V130 HydrophobicContact CD2-CG2 4.39Å; P55-V130 HydrophobicContact CG-CG2 4.27Å; V57-V130 HydrophobicContact CG2-CG1 3.99Å; L122-V130 HydrophobicContact CB-CB 3.84Å; L122-V130 HydrophobicContact CB-CG1 4.29Å; L122-V130 PolarHBondContact O-N 2.97Å; T124-V130 HydrophobicContact CG2-CG2 3.94Å; V130-N132 PolarHBondContact O-N 2.91Å
131N98.6Very high97.7Very high12 Ų1231.7 Ų31.76%0.06417%0.174CC..EExtended strand (participates in β ladder)trans-74.7127.4-174.4-64.4-87.7000111.7I52 N53 P55 N56 V57 G113I52-N131 HydrophobicContact CD1-CB 3.98Å; I52-N131 HydrophobicContact CG1-CB 4.01Å; N53-N131 PolarHBondContact O-ND2 3.43Å; P55-N131 WeakPolarHBondContact O-CB 3.39Å; P55-N131 PolarHBondContact O-N 3.4Å; P55-N131 PolarHBondContact O-ND2 2.89Å; N56-N131 WeakPolarHBondContact CA-O 3.2Å; N56-N131 HydrophobicContact CB-CB 3.9Å; N56-N131 WeakPolarHBondContact CB-O 3.46Å; V57-N131 PolarHBondContact N-O 3.12Å; V57-N131 VanDerWaalsContact N-O 3.15Å; G113-N131 WeakPolarHBondContact O-CA 3.47Å
132N97.8Very high97.8Very high1 Ų133.8 Ų33.81%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-85118.3174.9179.923.1000111.8G113 I121 V130 N135 Q136 S137G113-N132 CarbonylContact C-O 3.58Å; G113-N132 WeakPolarHBondContact CA-O 3.44Å; G113-N132 PolarHBondContact O-N 3.19Å; I121-N132 HydrophobicContact CD1-CB 4.16Å; I121-N132 VanDerWaalsContact CD1-ND2 3.28Å; I121-N132 WeakPolarHBondContact CD1-ND2 3.31Å; I121-N132 HydrophobicContact CG1-CB 3.9Å; V130-N132 PolarHBondContact O-N 2.91Å; N132-N135 WeakPolarHBondContact ND2-CA 3.35Å; N132-N135 PolarHBondContact ND2-OD1 3.21Å; N132-Q136 PolarHBondContact OD1-N 2.88Å; N132-Q136 VanDerWaalsContact OD1-N 3.1Å; N132-S137 VanDerWaalsContact CA-OG 3.29Å; N132-S137 WeakPolarHBondContact CA-OG 3.43Å; N132-S137 WeakPolarHBondContact OD1-CB 3.45Å; N132-S137 PolarHBondContact OD1-N 3.28Å; N132-S137 PolarHBondContact OD1-OG 3.37Å
133F97.8Very high97.8Very high4 Ų433.7 Ų33.72%0.01818%0.182CC..SBendtrans-91.8135.5-179.7-176.9-131.8000111.7E46 I52 V57 L58 H60 N135 Q136 S137E46-F133 HydrophobicContact CG-CE1 4.26Å; E46-F133 HydrophobicContact CG-CE2 3.88Å; E46-F133 HydrophobicContact CG-CZ 3.69Å; I52-F133 HydrophobicContact CD1-CB 3.66Å; I52-F133 HydrophobicContact CD1-CD2 3.95Å; I52-F133 HydrophobicContact CD1-CG 4.2Å; V57-F133 WeakPolarHBondContact O-CB 3.46Å; L58-F133 HydrophobicContact CB-CD1 4.29Å; L58-F133 HydrophobicContact CD2-CB 4.1Å; L58-F133 HydrophobicContact CD2-CD1 3.95Å; L58-F133 HydrophobicContact CD2-CG 4.02Å; H60-F133 HydrophobicContact CB-CD1 4.27Å; H60-F133 HydrophobicContact CB-CE1 3.98Å; H60-F133 AromaticContact CG-CE1 3.8Å; H60-F133 AromaticContact ND1-CE1 3.38Å; H60-F133 WeakPolarHBondContact ND1-CE1 3.39Å; F133-N135 PolarHBondContact O-N 3.33Å; F133-N135 VanDerWaalsContact O-N 3.1Å; F133-Q136 PolarHBondContact O-N 3Å; F133-S137 PolarHBondContact N-OG 3.06Å; F133-S137 PolarHBondContact O-N 3.38Å
134F96.5Very high97.8Very high16 Ų1631.4 Ų31.47%0.0717%0.171CC..THydrogen-bonded Turntrans59.420.7175.7-123.4-115.6000115H60 Y86 W106 N110 Q136 N149 I310H60-F134 HydrophobicContact CB-CB 3.6Å; H60-F134 HydrophobicContact CB-CD1 3.69Å; H60-F134 HydrophobicContact CB-CD2 4.33Å; H60-F134 HydrophobicContact CB-CE1 4.37Å; H60-F134 HydrophobicContact CB-CG 3.64Å; Y86-F134 VanDerWaalsContact CB-CE1 3.4Å; W106-F134 HydrophobicContact CH2-CZ 4.12Å; W106-F134 HydrophobicContact CZ2-CE2 4.09Å; W106-F134 AromaticContact CZ2-CZ 3.86Å; W106-F134 HydrophobicContact CZ2-CZ 3.86Å; N110-F134 HydrophobicContact CB-CD2 3.97Å; N110-F134 HydrophobicContact CB-CE2 4.23Å; N110-F134 HydrophobicContact CB-CG 4.46Å; N110-F134 VanDerWaalsContact O-CA 3.24Å; N110-F134 WeakPolarHBondContact O-CA 3.44Å; N110-F134 PolarHBondContact O-N 2.81Å; F134-Q136 HydrophobicContact CB-CB 4.44Å; F134-Q136 PolarHBondContact O-N 2.93Å; F134-N149 PolarHBondContact O-ND2 3.31Å; F134-I310 HydrophobicContact CE1-CD1 4.2Å; F134-I310 HydrophobicContact CZ-CD1 4.18Å
135N96.9Very high97.7Very high1 Ų130 Ų301%0.00516%0.163CC..THydrogen-bonded Turntrans51.739-167.5-164.942.3000112.7A87 N132 F133 T145 N149A87-N135 HydrophobicContact CB-CB 3.91Å; N132-N135 WeakPolarHBondContact ND2-CA 3.35Å; N132-N135 PolarHBondContact ND2-OD1 3.21Å; F133-N135 PolarHBondContact O-N 3.33Å; F133-N135 VanDerWaalsContact O-N 3.1Å; N135-T145 PolarHBondContact ND2-OG1 3.22Å; N135-T145 VanDerWaalsContact O-CB 3.26Å; N135-T145 WeakPolarHBondContact O-CB 3.37Å; N135-T145 PolarHBondContact O-OG1 2.94Å; N135-N149 WeakPolarHBondContact CB-OD1 3.48Å; N135-N149 PolarHBondContact ND2-OD1 2.97Å
136Q97.8Very high97.8Very high1 Ų123.6 Ų23.61%0.00513%0.133CC..THydrogen-bonded Turntrans-144.3-58.5-170.8170.3168.616.800112.3H60 L84 N132 F133 F134 S138 S143H60-Q136 PolarHBondContact O-OE1 3.25Å; L84-Q136 VanDerWaalsContact CB-CD 3.48Å; L84-Q136 HydrophobicContact CB-CG 4.24Å; L84-Q136 HydrophobicContact CD1-CG 3.75Å; N132-Q136 PolarHBondContact OD1-N 2.88Å; N132-Q136 VanDerWaalsContact OD1-N 3.1Å; F133-Q136 PolarHBondContact O-N 3Å; F134-Q136 HydrophobicContact CB-CB 4.44Å; F134-Q136 PolarHBondContact O-N 2.93Å; Q136-S138 VanDerWaalsContact C-N 3.31Å; Q136-S138 PolarHBondContact NE2-OG 3.45Å; Q136-S138 PolarHBondContact O-N 2.9Å; Q136-S143 WeakPolarHBondContact O-CB 3.44Å; Q136-S143 PolarHBondContact O-OG 3.48Å
137S98.4Very high97.8Very high2 Ų220.1 Ų20.11%0.01411%0.113CC..  trans45.553.9-172.9-76.70000112.6V57 L58 G59 N132 F133 F139 S140V57-S137 WeakPolarHBondContact O-CB 3.23Å; V57-S137 PolarHBondContact O-OG 2.96Å; L58-S137 CarbonylContact O-C 3.5Å; L58-S137 VanDerWaalsContact O-CA 3.3Å; L58-S137 WeakPolarHBondContact O-CA 3.42Å; G59-S137 PolarHBondContact O-N 3.28Å; N132-S137 VanDerWaalsContact CA-OG 3.29Å; N132-S137 WeakPolarHBondContact CA-OG 3.43Å; N132-S137 WeakPolarHBondContact OD1-CB 3.45Å; N132-S137 PolarHBondContact OD1-N 3.28Å; N132-S137 PolarHBondContact OD1-OG 3.37Å; F133-S137 PolarHBondContact N-OG 3.06Å; F133-S137 PolarHBondContact O-N 3.38Å; S137-F139 PolarHBondContact O-N 2.75Å; S137-S140 VanDerWaalsContact O-CB 3.25Å; S137-S140 WeakPolarHBondContact O-CB 3.18Å
138S98.7Very high97.7Very high0 Ų019 Ų190%010%0.097CC..  trans-76.2-0.8-170.456.60000114.6S37 L58 G59 H60 G62 Q136 S140 M364S37-S138 PolarHBondContact OG-OG 3.28Å; L58-S138 PolarHBondContact O-N 3.45Å; G59-S138 PolarHBondContact O-N 3.33Å; G59-S138 PolarHBondContact O-OG 2.96Å; H60-S138 PolarHBondContact N-OG 3.38Å; G62-S138 PolarHBondContact N-OG 3.38Å; Q136-S138 VanDerWaalsContact C-N 3.31Å; Q136-S138 PolarHBondContact NE2-OG 3.45Å; Q136-S138 PolarHBondContact O-N 2.9Å; S138-S140 PolarHBondContact O-N 2.81Å; S138-M364 WeakPolarHBondContact O-CE 3.34Å
139F98.8Very high97.6Very high0 Ų016 Ų160%08%0.079CC..SBendtrans-75.955.9162-56.8-25.4000110.4A5 A6 Y15 S37 G38 L39 D43 V57 L58 G59 S137 F342 I345 V362 M364A5-F139 CarbonylContact C-O 3.59Å; A5-F139 WeakPolarHBondContact CA-O 3.48Å; A6-F139 HydrophobicContact CB-CB 3.82Å; A6-F139 PolarHBondContact N-O 3.14Å; Y15-F139 AromaticContact CE1-CD2 3.96Å; Y15-F139 HydrophobicContact CE1-CD2 3.96Å; Y15-F139 HydrophobicContact CE1-CE2 4.14Å; S37-F139 WeakPolarHBondContact OG-CE1 3.44Å; G38-F139 WeakPolarHBondContact O-CE1 3.39Å; L39-F139 HydrophobicContact CD2-CE1 4.1Å; L39-F139 HydrophobicContact CD2-CE2 3.88Å; L39-F139 HydrophobicContact CD2-CZ 3.4Å; L39-F139 HydrophobicContact CG-CE1 4.27Å; L39-F139 HydrophobicContact CG-CZ 4Å; D43-F139 HydrophobicContact CB-CE2 3.94Å; D43-F139 HydrophobicContact CB-CZ 4.17Å; V57-F139 HydrophobicContact CG1-CB 4.41Å; V57-F139 WeakPolarHBondContact CG1-O 3.4Å; L58-F139 HydrophobicContact CB-CD2 3.76Å; L58-F139 HydrophobicContact CB-CE2 3.86Å; L58-F139 WeakPolarHBondContact O-CB 3.41Å; L58-F139 WeakPolarHBondContact O-CG 3.5Å; L58-F139 PolarHBondContact O-N 3.08Å; G59-F139 VanDerWaalsContact CA-CZ 3.47Å; G59-F139 VanDerWaalsContact N-CD2 3.32Å; G59-F139 VanDerWaalsContact N-CE2 3.34Å; S137-F139 PolarHBondContact O-N 2.75Å; F139-F342 HydrophobicContact CB-CE2 4.37Å; F139-F342 WeakPolarHBondContact O-CZ 3.34Å; F139-I345 HydrophobicContact CB-CD1 3.97Å; F139-I345 HydrophobicContact CD1-CD1 3.96Å; F139-I345 HydrophobicContact CD2-CD1 3.7Å; F139-I345 HydrophobicContact CE1-CD1 4.39Å; F139-I345 HydrophobicContact CE2-CD1 4.16Å; F139-I345 HydrophobicContact CG-CD1 3.62Å; F139-V362 HydrophobicContact CD1-CG2 4.15Å; F139-V362 HydrophobicContact CE1-CG2 4.22Å; F139-M364 HydrophobicContact CD1-CE 4.22Å
140S98.7Very high97.6Very high2 Ų211.6 Ų11.61%0.0146%0.059CC..BIsolated β-bridgetrans-155.4151.8-173.8174.90000109.4I3 K4 I34 S137 S138 Y142 M364I3-S140 VanDerWaalsContact CD1-OG 3.28Å; I3-S140 WeakPolarHBondContact CD1-OG 3.46Å; K4-S140 CarbonylContact O-C 3.58Å; K4-S140 WeakPolarHBondContact O-CA 3.45Å; I34-S140 VanDerWaalsContact CB-O 3.29Å; I34-S140 WeakPolarHBondContact CB-O 3.44Å; I34-S140 WeakPolarHBondContact CG1-O 3.36Å; S137-S140 VanDerWaalsContact O-CB 3.25Å; S137-S140 WeakPolarHBondContact O-CB 3.18Å; S138-S140 PolarHBondContact O-N 2.81Å; S140-Y142 WeakPolarHBondContact CB-O 3.48Å; S140-Y142 PolarHBondContact O-N 3.49Å; S140-Y142 PolarHBondContact OG-N 3.47Å; S140-Y142 PolarHBondContact OG-O 2.93Å; S140-M364 WeakPolarHBondContact O-CG 3.35Å
141T98.7Very high97.6Very high31 Ų3111.8 Ų11.819%0.196%0.06CC..SBendtrans-67.9-23173.952.80000113.1K4 I34K4-T141 HydrophobicContact CB-CG2 3.92Å; K4-T141 PolarHBondContact N-OG1 3.18Å; K4-T141 PolarHBondContact O-N 2.83Å; K4-T141 PolarHBondContact O-OG1 3.47Å; I34-T141 PolarHBondContact N-O 2.98Å
142Y98.8Very high97.5Very high48 Ų4816 Ų1619%0.1888%0.078CC..EExtended strand (participates in β ladder)trans-138.3144.4173.3-69.3-97000111.1M1 I3 L31 V32 K33 E67 S140M1-Y142 HydrophobicContact CE-CD1 4.32Å; M1-Y142 HydrophobicContact CE-CD2 3.99Å; M1-Y142 HydrophobicContact CE-CE1 4.38Å; M1-Y142 HydrophobicContact CE-CE2 4.08Å; M1-Y142 HydrophobicContact CE-CG 4.13Å; I3-Y142 HydrophobicContact CG2-CD2 3.82Å; I3-Y142 HydrophobicContact CG2-CG 4.21Å; L31-Y142 HydrophobicContact CD1-CD1 4.08Å; L31-Y142 HydrophobicContact CD1-CG 4.5Å; L31-Y142 HydrophobicContact CD2-CD1 4.44Å; L31-Y142 HydrophobicContact CG-CD1 4.14Å; V32-Y142 CarbonylContact O-C 3.53Å; V32-Y142 VanDerWaalsContact O-CA 3.26Å; V32-Y142 WeakPolarHBondContact O-CA 3.48Å; K33-Y142 HydrophobicContact CB-CD1 4.03Å; K33-Y142 HydrophobicContact CB-CE1 3.6Å; K33-Y142 HydrophobicContact CG-CD1 4.4Å; K33-Y142 HydrophobicContact CG-CE1 3.79Å; K33-Y142 HydrophobicContact CG-CE2 4.48Å; E67-Y142 HydrophobicContact CB-CE1 4.33Å; E67-Y142 HydrophobicContact CG-CE1 4.14Å; S140-Y142 WeakPolarHBondContact CB-O 3.48Å; S140-Y142 PolarHBondContact O-N 3.49Å; S140-Y142 PolarHBondContact OG-N 3.47Å; S140-Y142 PolarHBondContact OG-O 2.93Å
143S98.6Very high97.6Very high2 Ų216.4 Ų16.41%0.0148%0.081CC..EExtended strand (participates in β ladder)trans-117.8133.3170.2-69.20000109.7V32 I34 Q136V32-S143 PolarHBondContact N-O 3.32Å; V32-S143 PolarHBondContact O-N 3.05Å; I34-S143 WeakPolarHBondContact CD1-OG 3.16Å; Q136-S143 WeakPolarHBondContact O-CB 3.44Å; Q136-S143 PolarHBondContact O-OG 3.48Å
144L98.4Very high97.4Very high3 Ų320.3 Ų20.32%0.01610%0.101CC..EExtended strand (participates in β ladder)trans-101.8114.4168.4-168.969.6000107.9L22 A23 V25 D29 L31 I121L22-L144 HydrophobicContact CD1-CB 3.84Å; L22-L144 HydrophobicContact CD2-CB 4.13Å; L22-L144 HydrophobicContact CG-CB 4.16Å; A23-L144 HydrophobicContact CB-CD2 4.17Å; V25-L144 HydrophobicContact CB-CD1 4.48Å; V25-L144 HydrophobicContact CG2-CD1 3.95Å; D29-L144 HydrophobicContact CB-CD1 3.67Å; D29-L144 HydrophobicContact CB-CG 4.09Å; L31-L144 HydrophobicContact CB-CD1 4.16Å; L31-L144 HydrophobicContact CD1-CD1 4.19Å; I121-L144 HydrophobicContact CB-CD2 4.35Å; I121-L144 HydrophobicContact CD1-CB 3.97Å; I121-L144 WeakPolarHBondContact CD1-O 3.13Å; I121-L144 HydrophobicContact CG2-CD2 4.21Å
145T97.6Very high97.4Very high0 Ų024.8 Ų24.80%012%0.121CC..EExtended strand (participates in β ladder)trans-135.8-172-172.9-166.20000110.8D29 V30 V32 L84 N135 N149 V150D29-T145 CarbonylContact C-O 3.53Å; D29-T145 VanDerWaalsContact CA-O 3.27Å; D29-T145 WeakPolarHBondContact CA-O 3.5Å; V30-T145 HydrophobicContact CB-CG2 4.14Å; V30-T145 PolarHBondContact N-O 2.84Å; V30-T145 PolarHBondContact O-N 3.27Å; V32-T145 HydrophobicContact CG2-CG2 4.44Å; L84-T145 HydrophobicContact CD2-CG2 3.83Å; N135-T145 PolarHBondContact ND2-OG1 3.22Å; N135-T145 VanDerWaalsContact O-CB 3.26Å; N135-T145 WeakPolarHBondContact O-CB 3.37Å; N135-T145 PolarHBondContact O-OG1 2.94Å; T145-N149 HydrophobicContact CG2-CB 4.35Å; T145-N149 WeakPolarHBondContact OG1-CB 3.27Å; T145-N149 PolarHBondContact OG1-OD1 2.98Å; T145-N149 VanDerWaalsContact OG1-OD1 3.06Å; T145-V150 HydrophobicContact CG2-CG2 3.71Å
146E95.8Very high97.3Very high27 Ų2729.4 Ų29.413%0.12615%0.146CC..EExtended strand (participates in β ladder)trans-121.1165.9175.2-63.9-167.1176.400111.6P116 R117 S148 N149P116-E146 HydrophobicContact CG-CG 4.34Å; R117-E146 IonicContact CZ-OE1 2.88Å; R117-E146 IonicContact NH1-OE1 2.75Å; R117-E146 PolarHBondContact NH1-OE1 2.94Å; E146-S148 PolarHBondContact O-N 3.44Å; E146-N149 PolarHBondContact O-N 3.41Å
147E94.5Very high97.3Very high57 Ų5729.7 Ų29.727%0.26615%0.148SC..G310 helixtrans-51.1-32.2-178.8-69.4-176.4106.400114.1V30 V73 T74 S75 N149 V150V30-E147 HydrophobicContact CG2-CG 4.36Å; V73-E147 HydrophobicContact CB-CG 4.21Å; V73-E147 HydrophobicContact CG1-CG 3.73Å; V73-E147 HydrophobicContact CG2-CG 4.01Å; T74-E147 PolarHBondContact N-OE1 2.61Å; S75-E147 WeakPolarHBondContact CB-OE1 3.49Å; S75-E147 PolarHBondContact N-OE1 3.44Å; S75-E147 PolarHBondContact OG-OE1 2.91Å; S75-E147 VanDerWaalsContact OG-OE1 3.12Å; E147-N149 VanDerWaalsContact C-N 3.27Å; E147-N149 PolarHBondContact O-N 2.87Å; E147-V150 PolarHBondContact O-N 3.26Å; E147-V150 VanDerWaalsContact O-N 3.14Å
148S94.7Very high97.2Very high24 Ų2430.9 Ų30.917%0.16815%0.154CC..G310 helixtrans-65-28.3-179.368.60000113.5Y88 E146Y88-S148 WeakPolarHBondContact CE1-O 3.35Å; Y88-S148 PolarHBondContact N-OG 3.39Å; Y88-S148 WeakPolarHBondContact O-CB 3.47Å; Y88-S148 PolarHBondContact O-OG 3.29Å; E146-S148 PolarHBondContact O-N 3.44Å
149N95.2Very high97.2Very high0 Ų030.9 Ų30.90%015%0.154CC..G310 helixtrans-81-17.8176.3-81.896.3000112.9L84 S85 Y86 A87 F134 N135 T145 E146 E147L84-N149 CarbonylContact C-O 3.57Å; L84-N149 WeakPolarHBondContact CA-O 3.49Å; S85-N149 PolarHBondContact N-O 3.38Å; S85-N149 PolarHBondContact O-ND2 3.16Å; Y86-N149 VanDerWaalsContact C-ND2 3.34Å; A87-N149 WeakPolarHBondContact CB-OD1 3.5Å; A87-N149 PolarHBondContact N-ND2 2.73Å; F134-N149 PolarHBondContact O-ND2 3.31Å; N135-N149 WeakPolarHBondContact CB-OD1 3.48Å; N135-N149 PolarHBondContact ND2-OD1 2.97Å; T145-N149 HydrophobicContact CG2-CB 4.35Å; T145-N149 WeakPolarHBondContact OG1-CB 3.27Å; T145-N149 PolarHBondContact OG1-OD1 2.98Å; T145-N149 VanDerWaalsContact OG1-OD1 3.06Å; E146-N149 PolarHBondContact O-N 3.41Å; E147-N149 VanDerWaalsContact C-N 3.27Å; E147-N149 PolarHBondContact O-N 2.87Å
150V98Very high97.2Very high12 Ų1233.9 Ų33.97%0.07317%0.165CC..EExtended strand (participates in β ladder)trans-97.5121.9-162.3179.30000110.7V30 V76 V82 L84 T145 E147V30-V150 HydrophobicContact CB-CG2 4.19Å; V30-V150 HydrophobicContact CG1-CG2 4.14Å; V30-V150 HydrophobicContact CG2-CG2 4.3Å; V76-V150 HydrophobicContact CG1-CG1 3.75Å; V76-V150 HydrophobicContact CG2-CG1 4.26Å; V82-V150 HydrophobicContact CB-CG1 3.75Å; V82-V150 HydrophobicContact CG1-CG1 3.4Å; V82-V150 HydrophobicContact CG2-CG1 4.29Å; L84-V150 HydrophobicContact CD2-CG2 3.83Å; T145-V150 HydrophobicContact CG2-CG2 3.71Å; E147-V150 PolarHBondContact O-N 3.26Å; E147-V150 VanDerWaalsContact O-N 3.14Å
151V98.3Very high97.1Very high5 Ų534.3 Ų34.33%0.0317%0.167CC..EExtended strand (participates in β ladder)trans-112.5107.8171.8-178.50000108.7V82 I83 V153 A315 L319 P320V82-V151 CarbonylContact C-O 3.5Å; V82-V151 VanDerWaalsContact CA-O 3.28Å; V82-V151 WeakPolarHBondContact CA-O 3.36Å; I83-V151 HydrophobicContact CB-CB 4.48Å; I83-V151 PolarHBondContact N-O 3.09Å; I83-V151 PolarHBondContact O-N 3.3Å; V151-V153 HydrophobicContact CG1-CG1 4.41Å; V151-A315 HydrophobicContact CG2-CB 3.87Å; V151-L319 HydrophobicContact CB-CD1 4.37Å; V151-L319 HydrophobicContact CG1-CB 4.29Å; V151-L319 HydrophobicContact CG2-CD1 4.08Å; V151-P320 HydrophobicContact CG1-CG 4.01Å
152K98.3Very high97.1Very high100 Ų10032.8 Ų32.844%0.43516%0.158SC..EExtended strand (participates in β ladder)trans-63.9134.5172.7-176.6171.6-179.7154.90110.2V76 D80V76-K152 HydrophobicContact CG1-CB 4.14Å; D80-K152 VanDerWaalsContact CG-CE 3.43Å; D80-K152 WeakPolarHBondContact OD1-CE 3.41Å; D80-K152 IonicContact OD1-NZ 3.28Å; D80-K152 PolarHBondContact OD1-NZ 3.44Å; D80-K152 WeakPolarHBondContact OD2-CE 3.31Å; D80-K152 IonicContact OD2-NZ 2.74Å; D80-K152 PolarHBondContact OD2-NZ 3.49Å
153V98Very high97.1Very high10 Ų1030.6 Ų30.66%0.06115%0.149CC..EExtended strand (participates in β ladder)trans-131.5163.3179.7-63.80000110.9H81 I83 V151 L159 L162 I323H81-V153 HydrophobicContact CB-CG2 3.98Å; H81-V153 WeakPolarHBondContact O-CG2 3.47Å; H81-V153 PolarHBondContact O-N 3.09Å; I83-V153 HydrophobicContact CD1-CG1 3.67Å; I83-V153 HydrophobicContact CG1-CG1 3.88Å; I83-V153 HydrophobicContact CG1-CG2 4.42Å; V151-V153 HydrophobicContact CG1-CG1 4.41Å; V153-L159 HydrophobicContact CG2-CD1 4.22Å; V153-L162 HydrophobicContact CB-CD1 4.39Å; V153-L162 HydrophobicContact CG2-CD1 3.84Å; V153-I323 HydrophobicContact CB-CD1 3.9Å; V153-I323 HydrophobicContact CG1-CD1 3.5Å
154D94.5Very high97.1Very high85 Ų8530.5 Ų30.546%0.45515%0.149SC..  trans-64.8148.9177.5-63.4-30.9000111.7D156 K327D154-D156 WeakPolarHBondContact CB-OD1 3.34Å; D154-D156 PolarHBondContact O-N 2.94Å; D154-K327 IonicContact OD2-NZ 3.29Å; D154-K327 PolarHBondContact OD2-NZ 2.94Å
155K96.3Very high97.1Very high110 Ų11030.3 Ų30.348%0.47815%0.148SC..THydrogen-bonded Turntrans-841.2179.8-53.8-170.4-172.6-173.10113.4G79 H81G79-K155 VanDerWaalsContact O-CE 3.25Å; G79-K155 WeakPolarHBondContact O-CE 3.38Å; G79-K155 PolarHBondContact O-NZ 3.5Å; H81-K155 HydrophobicContact CB-CG 4.31Å
156D95.6Very high97.1Very high98 Ų9830.4 Ų30.452%0.52415%0.148SC..THydrogen-bonded Turntrans-94.75.7-176.269.2-15000113.5D154 K327 P371D154-D156 WeakPolarHBondContact CB-OD1 3.34Å; D154-D156 PolarHBondContact O-N 2.94Å; D156-K327 WeakPolarHBondContact OD1-CE 3.39Å; D156-K327 IonicContact OD1-NZ 3.34Å; D156-K327 PolarHBondContact OD1-NZ 2.81Å; D156-K327 IonicContact OD2-NZ 3.27Å; D156-K327 PolarHBondContact OD2-NZ 2.79Å; D156-P371 VanDerWaalsContact C-CG 3.47Å
157V96.4Very high97.2Very high8 Ų829.6 Ų29.65%0.04815%0.146CC..SBendtrans-117.5143174.5-171.30000110.8L159 L162 I323 Y326 K327V157-L159 PolarHBondContact O-N 3.2Å; V157-L162 HydrophobicContact CB-CD1 4.3Å; V157-L162 HydrophobicContact CG1-CD1 4.35Å; V157-L162 HydrophobicContact CG1-CD2 3.76Å; V157-L162 HydrophobicContact CG1-CG 4.32Å; V157-I323 HydrophobicContact CG2-CG2 3.77Å; V157-Y326 HydrophobicContact CG1-CD1 4.28Å; V157-Y326 HydrophobicContact CG1-CE1 3.87Å; V157-K327 HydrophobicContact CG2-CD 4.4Å; V157-K327 HydrophobicContact CG2-CG 4.4Å
158D97.9Very high97.2Very high26 Ų2626.9 Ų26.914%0.13913%0.133CC..  trans-58.3108174.1-178.3-1.6000110.7R160 L161 P370D158-R160 PolarHBondContact O-N 3.36Å; D158-R160 VanDerWaalsContact O-N 3.14Å; D158-R160 VanDerWaalsContact OD1-CB 3.29Å; D158-R160 WeakPolarHBondContact OD1-CB 3.24Å; D158-R160 WeakPolarHBondContact OD1-CG 3.45Å; D158-R160 IonicContact OD1-CZ 2.97Å; D158-R160 PolarHBondContact OD1-N 2.99Å; D158-R160 IonicContact OD1-NE 3.54Å; D158-R160 PolarHBondContact OD1-NE 3.46Å; D158-R160 IonicContact OD1-NH2 3.22Å; D158-R160 IonicContact OD2-CZ 2.66Å; D158-R160 VanDerWaalsContact OD2-CZ 3.29Å; D158-R160 IonicContact OD2-NE 3.28Å; D158-R160 PolarHBondContact OD2-NE 2.72Å; D158-R160 VanDerWaalsContact OD2-NE 3.08Å; D158-R160 IonicContact OD2-NH2 2.96Å; D158-R160 PolarHBondContact OD2-NH2 2.99Å; D158-L161 HydrophobicContact CB-CD1 4.11Å; D158-L161 HydrophobicContact CB-CG 4.37Å; D158-L161 WeakPolarHBondContact O-CB 3.39Å; D158-L161 PolarHBondContact O-N 2.78Å; D158-L161 VanDerWaalsContact O-N 3.08Å; D158-P370 HydrophobicContact CB-CB 3.97Å
159L98Very high97.4Very high0 Ų025.8 Ų25.80%013%0.125CC..Hα-helixtrans-63.7-23.2-174.1-165.958000112.6V35 A63 G64 I65 H81 V153 V157 L161 L162 Y368V35-L159 HydrophobicContact CB-CD2 4.25Å; V35-L159 HydrophobicContact CB-CG 4.48Å; V35-L159 HydrophobicContact CG1-CB 4.43Å; V35-L159 HydrophobicContact CG2-CD2 3.96Å; A63-L159 HydrophobicContact CB-CD1 3.82Å; A63-L159 HydrophobicContact CB-CG 3.94Å; A63-L159 VanDerWaalsContact CB-O 3.29Å; A63-L159 WeakPolarHBondContact CB-O 3.44Å; G64-L159 WeakPolarHBondContact O-CD2 3.33Å; I65-L159 HydrophobicContact CG1-CD2 3.99Å; H81-L159 HydrophobicContact CB-CD1 4.15Å; H81-L159 HydrophobicContact CB-CD2 4.23Å; V153-L159 HydrophobicContact CG2-CD1 4.22Å; V157-L159 PolarHBondContact O-N 3.2Å; L159-L161 PolarHBondContact O-N 3.22Å; L159-L162 HydrophobicContact CD1-CB 4.45Å; L159-L162 HydrophobicContact CD1-CD1 3.93Å; L159-L162 PolarHBondContact O-N 2.93Å; L159-L162 VanDerWaalsContact O-N 3.17Å; L159-Y368 HydrophobicContact CB-CE1 4.15Å; L159-Y368 HydrophobicContact CB-CE2 4.27Å; L159-Y368 VanDerWaalsContact CB-OH 3.28Å; L159-Y368 WeakPolarHBondContact CB-OH 3.37Å; L159-Y368 PolarHBondContact N-OH 3.36Å
160R98.4Very high97.5Very high64 Ų6425.9 Ų25.924%0.24213%0.126CC..Hα-helixtrans-62.5-27.3177.2-58.5173.1-62.7174.28.1112.2V35 A36 D158 Y339 V361 Y368V35-R160 HydrophobicContact CG1-CG 3.67Å; A36-R160 HydrophobicContact CB-CB 4.06Å; A36-R160 HydrophobicContact CB-CG 4.28Å; D158-R160 PolarHBondContact O-N 3.36Å; D158-R160 VanDerWaalsContact O-N 3.14Å; D158-R160 VanDerWaalsContact OD1-CB 3.29Å; D158-R160 WeakPolarHBondContact OD1-CB 3.24Å; D158-R160 WeakPolarHBondContact OD1-CG 3.45Å; D158-R160 IonicContact OD1-CZ 2.97Å; D158-R160 PolarHBondContact OD1-N 2.99Å; D158-R160 IonicContact OD1-NE 3.54Å; D158-R160 PolarHBondContact OD1-NE 3.46Å; D158-R160 IonicContact OD1-NH2 3.22Å; D158-R160 IonicContact OD2-CZ 2.66Å; D158-R160 VanDerWaalsContact OD2-CZ 3.29Å; D158-R160 IonicContact OD2-NE 3.28Å; D158-R160 PolarHBondContact OD2-NE 2.72Å; D158-R160 VanDerWaalsContact OD2-NE 3.08Å; D158-R160 IonicContact OD2-NH2 2.96Å; D158-R160 PolarHBondContact OD2-NH2 2.99Å; R160-Y339 HydrophobicContact CB-CE1 3.68Å; R160-V361 WeakPolarHBondContact O-CG1 3.36Å; R160-Y368 HydrophobicContact CG-CD1 3.85Å; R160-Y368 HydrophobicContact CG-CE1 4.07Å
161L97.9Very high97.5Very high10 Ų1026 Ų265%0.05213%0.127CC..Hα-helixtrans-78.7-26.4179.2-71.1173.7000113D158 L159 P164 Y326 F333 D334 V337 Y339D158-L161 HydrophobicContact CB-CD1 4.11Å; D158-L161 HydrophobicContact CB-CG 4.37Å; D158-L161 WeakPolarHBondContact O-CB 3.39Å; D158-L161 PolarHBondContact O-N 2.78Å; D158-L161 VanDerWaalsContact O-N 3.08Å; L159-L161 PolarHBondContact O-N 3.22Å; L161-P164 WeakPolarHBondContact O-CD 3.37Å; L161-Y326 WeakPolarHBondContact CD1-OH 3.4Å; L161-F333 HydrophobicContact CB-CE2 3.88Å; L161-F333 HydrophobicContact CB-CZ 4.39Å; L161-F333 VanDerWaalsContact O-CE2 3.28Å; L161-F333 WeakPolarHBondContact O-CE2 3.42Å; L161-D334 HydrophobicContact CD1-CB 4.08Å; L161-D334 HydrophobicContact CD2-CB 3.97Å; L161-V337 HydrophobicContact CD2-CB 4.28Å; L161-V337 HydrophobicContact CD2-CG1 4.23Å; L161-V337 HydrophobicContact CD2-CG2 4.25Å; L161-Y339 WeakPolarHBondContact CD2-OH 3.32Å; L161-Y339 WeakPolarHBondContact CG-OH 3.35Å
162L98.6Very high97.5Very high0 Ų025.8 Ų25.80%013%0.126CC..Hα-helixtrans-83.9-26-156.5-62.6-169.8000114.6A63 I83 V153 V157 L159 L165 I323 F333A63-L162 HydrophobicContact CB-CB 4.27Å; I83-L162 HydrophobicContact CD1-CB 3.82Å; I83-L162 HydrophobicContact CD1-CD1 4.49Å; I83-L162 HydrophobicContact CG1-CB 3.74Å; V153-L162 HydrophobicContact CB-CD1 4.39Å; V153-L162 HydrophobicContact CG2-CD1 3.84Å; V157-L162 HydrophobicContact CB-CD1 4.3Å; V157-L162 HydrophobicContact CG1-CD1 4.35Å; V157-L162 HydrophobicContact CG1-CD2 3.76Å; V157-L162 HydrophobicContact CG1-CG 4.32Å; L159-L162 HydrophobicContact CD1-CB 4.45Å; L159-L162 HydrophobicContact CD1-CD1 3.93Å; L159-L162 PolarHBondContact O-N 2.93Å; L159-L162 VanDerWaalsContact O-N 3.17Å; L162-L165 HydrophobicContact CD2-CD1 3.94Å; L162-L165 WeakPolarHBondContact O-CB 3.4Å; L162-L165 WeakPolarHBondContact O-CG 3.08Å; L162-L165 PolarHBondContact O-N 2.8Å; L162-I323 HydrophobicContact CD1-CD1 4.03Å; L162-I323 HydrophobicContact CD2-CD1 4.18Å; L162-I323 HydrophobicContact CD2-CG1 4.07Å; L162-F333 HydrophobicContact CD2-CZ 4.03Å
163G98.4Very high97.5Very high1 Ų121 Ų211%0.0111%0.105CC..G310 helixtrans-51.5-46.5-178.300000114.9E61 L165 G166E61-G163 CarbonylContact C-O 3.59Å; E61-G163 WeakPolarHBondContact CA-O 3.34Å; E61-G163 CarbonylContact O-C 3.59Å; E61-G163 WeakPolarHBondContact O-CA 3.49Å; G163-L165 PolarHBondContact O-N 2.76Å; G163-G166 PolarHBondContact O-N 3.26Å
164P98.6Very high97.6Very high0 Ų020.5 Ų20.50%010%0.102CC..G310 helixtrans-53.6-22.6173.8-31.135000116.9E61 L161 G166 G168 L169 K359 V361E61-P164 WeakPolarHBondContact OE2-CA 3.37Å; L161-P164 WeakPolarHBondContact O-CD 3.37Å; P164-G166 VanDerWaalsContact C-N 3.26Å; P164-G166 PolarHBondContact O-N 2.9Å; P164-G168 PolarHBondContact O-N 3.04Å; P164-L169 HydrophobicContact CB-CD1 3.78Å; P164-L169 HydrophobicContact CB-CG 4.11Å; P164-L169 WeakPolarHBondContact O-CB 3.21Å; P164-L169 PolarHBondContact O-N 3.27Å; P164-L169 VanDerWaalsContact O-N 3.08Å; P164-K359 HydrophobicContact CB-CD 3.95Å; P164-K359 HydrophobicContact CB-CG 4.14Å; P164-K359 HydrophobicContact CG-CD 3.81Å; P164-K359 HydrophobicContact CG-CG 3.92Å; P164-V361 HydrophobicContact CG-CG2 3.86Å
165L98.5Very high97.8Very high0 Ų016.5 Ų16.50%08%0.081CC..G310 helixtrans-64.4-32.8173.7-59.5175.7000111.5I83 L162 G163 C167 L169 G170 L319 L322 I323 F331 F333I83-L165 HydrophobicContact CD1-CB 4.23Å; I83-L165 HydrophobicContact CD1-CD1 4.05Å; L162-L165 HydrophobicContact CD2-CD1 3.94Å; L162-L165 WeakPolarHBondContact O-CB 3.4Å; L162-L165 WeakPolarHBondContact O-CG 3.08Å; L162-L165 PolarHBondContact O-N 2.8Å; G163-L165 PolarHBondContact O-N 2.76Å; L165-C167 PolarHBondContact O-N 3.26Å; L165-L169 HydrophobicContact CD2-CB 3.97Å; L165-L169 HydrophobicContact CD2-CD1 3.86Å; L165-G170 WeakPolarHBondContact O-CA 3.38Å; L165-G170 PolarHBondContact O-N 2.98Å; L165-L319 HydrophobicContact CB-CD2 4.14Å; L165-L319 WeakPolarHBondContact O-CD2 3.2Å; L165-L322 HydrophobicContact CD2-CB 4.23Å; L165-L322 HydrophobicContact CD2-CD1 4.05Å; L165-I323 HydrophobicContact CD1-CD1 4.3Å; L165-I323 HydrophobicContact CD1-CG1 3.65Å; L165-F331 HydrophobicContact CD2-CE1 4.07Å; L165-F333 HydrophobicContact CD1-CE1 4.21Å; L165-F333 HydrophobicContact CD1-CZ 3.96Å; L165-F333 HydrophobicContact CD2-CD1 4.1Å; L165-F333 HydrophobicContact CD2-CE1 3.87Å; L165-F333 HydrophobicContact CD2-CE2 4.39Å; L165-F333 HydrophobicContact CD2-CG 4.46Å; L165-F333 HydrophobicContact CD2-CZ 4.05Å; L165-F333 HydrophobicContact CG-CE1 4.41Å; L165-F333 HydrophobicContact CG-CE2 4.46Å; L165-F333 HydrophobicContact CG-CZ 4.13Å
166G97.6Very high97.9Very high1 Ų111.2 Ų11.21%0.016%0.058CC..G310 helixtrans-66-18-177.600000115.4S85 G163 P164S85-G166 PolarHBondContact OG-O 3.2Å; G163-G166 PolarHBondContact O-N 3.26Å; P164-G166 VanDerWaalsContact C-N 3.26Å; P164-G166 PolarHBondContact O-N 2.9Å
167C96.8Very high98Very high10 Ų108.8 Ų8.87%0.0684%0.044CC..THydrogen-bonded Turntrans-135.4-89177.8-1770000113.4H60 E61 L165 L169 G170 T171 I310H60-C167 PolarHBondContact CD2-SG 3.04Å; H60-C167 PolarHBondContact NE2-SG 3.3Å; E61-C167 HydrophobicContact CG-CB 3.59Å; L165-C167 PolarHBondContact O-N 3.26Å; C167-L169 PolarHBondContact O-N 2.81Å; C167-G170 PolarHBondContact O-N 3.07Å; C167-T171 WeakPolarHBondContact O-CB 3.43Å; C167-T171 PolarHBondContact O-N 2.88Å; C167-T171 PolarHBondContact O-OG1 3.39Å; C167-I310 HydrophobicContact CB-CD1 4.22Å
168G95.2Very high98.1Very high1 Ų110.5 Ų10.51%0.016%0.057CC..Hα-helixtrans-63.5-44.7-16600000113.3E61 P164 T171 G172E61-G168 PolarHBondContact OE1-N 3.18Å; E61-G168 VanDerWaalsContact OE1-N 3.11Å; P164-G168 PolarHBondContact O-N 3.04Å; G168-T171 PolarHBondContact O-N 3.05Å; G168-G172 PolarHBondContact O-N 2.77Å
169L98.1Very high98.1Very high0 Ų010.7 Ų10.70%06%0.059CC..Hα-helixtrans-72.9-34.5177.4-58.1179.3000111.6P164 L165 C167 T171 S173 A195 S199 F333 F336P164-L169 HydrophobicContact CB-CD1 3.78Å; P164-L169 HydrophobicContact CB-CG 4.11Å; P164-L169 WeakPolarHBondContact O-CB 3.21Å; P164-L169 PolarHBondContact O-N 3.27Å; P164-L169 VanDerWaalsContact O-N 3.08Å; L165-L169 HydrophobicContact CD2-CB 3.97Å; L165-L169 HydrophobicContact CD2-CD1 3.86Å; C167-L169 PolarHBondContact O-N 2.81Å; L169-T171 VanDerWaalsContact C-N 3.29Å; L169-T171 PolarHBondContact O-N 3.44Å; L169-S173 WeakPolarHBondContact O-CB 3.47Å; L169-S173 PolarHBondContact O-N 3.11Å; L169-S173 PolarHBondContact O-OG 3.34Å; L169-A195 HydrophobicContact CD2-CB 4.21Å; L169-A195 WeakPolarHBondContact CD2-O 3.48Å; L169-S199 WeakPolarHBondContact O-CB 3.43Å; L169-S199 PolarHBondContact O-OG 3.23Å; L169-F333 HydrophobicContact CD1-CB 3.69Å; L169-F333 HydrophobicContact CD1-CD2 3.64Å; L169-F333 HydrophobicContact CD1-CE2 4.43Å; L169-F333 HydrophobicContact CD1-CG 3.72Å; L169-F336 HydrophobicContact CD2-CE2 3.94Å; L169-F336 HydrophobicContact CD2-CZ 3.84Å
170G98Very high98.1Very high2 Ų211.4 Ų11.42%0.0216%0.063CC..Hα-helixtrans-62.3-37.4171.700000112.6L165 C167 S173 G174 H318L165-G170 WeakPolarHBondContact O-CA 3.38Å; L165-G170 PolarHBondContact O-N 2.98Å; C167-G170 PolarHBondContact O-N 3.07Å; G170-S173 PolarHBondContact O-OG 3.22Å; G170-G174 PolarHBondContact O-N 3.41Å; G170-H318 PolarHBondContact O-NE2 3.39Å
171T98.2Very high98.1Very high15 Ų1514.9 Ų14.99%0.0928%0.082CC..Hα-helixtrans-66.2-53.3-178-58.70000112.2C167 G168 L169 S173 A175 V196 L283 I310C167-T171 WeakPolarHBondContact O-CB 3.43Å; C167-T171 PolarHBondContact O-N 2.88Å; C167-T171 PolarHBondContact O-OG1 3.39Å; G168-T171 PolarHBondContact O-N 3.05Å; L169-T171 VanDerWaalsContact C-N 3.29Å; L169-T171 PolarHBondContact O-N 3.44Å; T171-S173 VanDerWaalsContact C-N 3.34Å; T171-S173 PolarHBondContact O-N 3.47Å; T171-A175 WeakPolarHBondContact O-CB 3.48Å; T171-A175 PolarHBondContact O-N 2.82Å; T171-V196 HydrophobicContact CG2-CG1 4.36Å; T171-L283 HydrophobicContact CG2-CD1 4.45Å; T171-L283 HydrophobicContact CG2-CD2 4.26Å; T171-I310 WeakPolarHBondContact OG1-CA 3.34Å
172G98.4Very high98.1Very high0 Ų015.1 Ų15.10%08%0.084CC..Hα-helixtrans-63.1-41.4-178.600000112.6G168 V176 V196G168-G172 PolarHBondContact O-N 2.77Å; G172-V176 PolarHBondContact O-N 2.55Å; G172-V196 WeakPolarHBondContact CA-O 3.35Å
173S98.7Very high98.1Very high0 Ų022.2 Ų22.20%012%0.115CC..Hα-helixtrans-74-40-178.957.20000112.2L169 G170 T171 V176 L177 S199 H318 L322L169-S173 WeakPolarHBondContact O-CB 3.47Å; L169-S173 PolarHBondContact O-N 3.11Å; L169-S173 PolarHBondContact O-OG 3.34Å; G170-S173 PolarHBondContact O-OG 3.22Å; T171-S173 VanDerWaalsContact C-N 3.34Å; T171-S173 PolarHBondContact O-N 3.47Å; S173-V176 PolarHBondContact O-N 3.32Å; S173-L177 WeakPolarHBondContact O-CB 3.46Å; S173-L177 WeakPolarHBondContact O-CG 3.43Å; S173-L177 PolarHBondContact O-N 2.95Å; S173-S199 WeakPolarHBondContact CB-OG 3.42Å; S173-S199 PolarHBondContact N-OG 3.24Å; S173-H318 PolarHBondContact OG-NE2 2.85Å; S173-L322 WeakPolarHBondContact OG-CD1 3.47Å
174G98.6Very high98.1Very high0 Ų028.3 Ų28.30%015%0.152CC..Hα-helixtrans-65-40.3175.100000112.3G170 V176 S178 V179 G311 T313 H318G170-G174 PolarHBondContact O-N 3.41Å; G174-V176 PolarHBondContact O-N 3.02Å; G174-S178 WeakPolarHBondContact O-CA 3.2Å; G174-S178 VanDerWaalsContact O-CB 3.29Å; G174-S178 WeakPolarHBondContact O-CB 3.44Å; G174-S178 PolarHBondContact O-N 3.25Å; G174-V179 PolarHBondContact O-N 3.34Å; G174-G311 CarbonylContact C-O 3.59Å; G174-G311 WeakPolarHBondContact CA-O 3.43Å; G174-T313 VanDerWaalsContact CA-CG2 3.49Å; G174-H318 PolarHBondContact N-NE2 3.1Å
175A98.7Very high98.1Very high0 Ų030.7 Ų30.70%018%0.176CC..Iπ-helixtrans-54.6-39.2174.400000111.7T171 V179 L180 I258 L283 V308T171-A175 WeakPolarHBondContact O-CB 3.48Å; T171-A175 PolarHBondContact O-N 2.82Å; A175-V179 WeakPolarHBondContact O-CB 3.09Å; A175-L180 WeakPolarHBondContact O-CB 3.43Å; A175-L180 VanDerWaalsContact O-CG 3.25Å; A175-L180 WeakPolarHBondContact O-CG 3.45Å; A175-L180 PolarHBondContact O-N 3.08Å; A175-I258 HydrophobicContact CB-CD1 4.43Å; A175-L283 HydrophobicContact CB-CD1 3.92Å; A175-L283 HydrophobicContact CB-CD2 4.12Å; A175-V308 HydrophobicContact CB-CG1 4.17Å
176V98.8Very high98.1Very high0 Ų032.4 Ų32.40%018%0.184CC..Iπ-helixtrans-81.6-58.4177.2-178.90000112G172 S173 G174 Q181 P182 I188 A200 A203 A204 A207 I258G172-V176 PolarHBondContact O-N 2.55Å; S173-V176 PolarHBondContact O-N 3.32Å; G174-V176 PolarHBondContact O-N 3.02Å; V176-Q181 PolarHBondContact O-N 2.91Å; V176-P182 HydrophobicContact CG1-CG 4.01Å; V176-P182 VanDerWaalsContact O-CD 3.31Å; V176-P182 WeakPolarHBondContact O-CD 3.45Å; V176-I188 HydrophobicContact CG2-CD1 4.09Å; V176-A200 HydrophobicContact CG2-CB 4.04Å; V176-A203 HydrophobicContact CB-CB 3.85Å; V176-A203 HydrophobicContact CG1-CB 4.21Å; V176-A203 HydrophobicContact CG2-CB 4.26Å; V176-A204 HydrophobicContact CG1-CB 4.4Å; V176-A207 HydrophobicContact CG1-CB 4.44Å; V176-I258 HydrophobicContact CG2-CD1 3.66Å
177L98.5Very high98.2Very high46 Ų4632.5 Ų32.524%0.24119%0.185CC..Iπ-helixtrans-76.5-30.3-168.5-62175.1000113.8S173 A203 I206 A207 F325S173-L177 WeakPolarHBondContact O-CB 3.46Å; S173-L177 WeakPolarHBondContact O-CG 3.43Å; S173-L177 PolarHBondContact O-N 2.95Å; L177-A203 HydrophobicContact CD1-CB 4.27Å; L177-A203 HydrophobicContact CD2-CB 4.49Å; L177-A203 HydrophobicContact CG-CB 4.03Å; L177-I206 HydrophobicContact CD2-CG2 4.24Å; L177-A207 HydrophobicContact CD2-CB 4.01Å; L177-F325 HydrophobicContact CD1-CE2 4.38Å
178S97.7Very high98.3Very high44 Ų4432 Ų3231%0.30818%0.182SC..Iπ-helixtrans-103.1-39.4-176.5-58.60000112.6G174 Q181 T313G174-S178 WeakPolarHBondContact O-CA 3.2Å; G174-S178 VanDerWaalsContact O-CB 3.29Å; G174-S178 WeakPolarHBondContact O-CB 3.44Å; G174-S178 PolarHBondContact O-N 3.25Å; S178-Q181 WeakPolarHBondContact O-CG 3.38Å; S178-T313 VanDerWaalsContact OG-CG2 3.31Å; S178-T313 WeakPolarHBondContact OG-CG2 3.41Å
179V98.2Very high98.5Very high30 Ų3032 Ų3218%0.18218%0.181CC..Iπ-helixtrans-94.3-56.1-174.7-179.30000113G174 A175 R306 V308 D312G174-V179 PolarHBondContact O-N 3.34Å; A175-V179 WeakPolarHBondContact O-CB 3.09Å; V179-R306 HydrophobicContact CG1-CG 3.88Å; V179-V308 HydrophobicContact CB-CG2 4.13Å; V179-V308 HydrophobicContact CG1-CG2 3.75Å; V179-V308 HydrophobicContact CG2-CG1 3.96Å; V179-V308 HydrophobicContact CG2-CG2 3.92Å; V179-D312 HydrophobicContact CG2-CB 3.64Å
180L98.6Very high98.5Very high16 Ų1632 Ų328%0.08418%0.181CC..Iπ-helixtrans-75.5-37.8-176.2-68.8177.2000111.8A175 I188 Y256 I258 T279 V281A175-L180 WeakPolarHBondContact O-CB 3.43Å; A175-L180 VanDerWaalsContact O-CG 3.25Å; A175-L180 WeakPolarHBondContact O-CG 3.45Å; A175-L180 PolarHBondContact O-N 3.08Å; L180-I188 HydrophobicContact CD1-CD1 4.15Å; L180-Y256 HydrophobicContact CB-CD1 4.08Å; L180-Y256 HydrophobicContact CB-CE1 4.18Å; L180-Y256 HydrophobicContact CB-CG 4.49Å; L180-Y256 HydrophobicContact CD1-CD1 3.99Å; L180-Y256 HydrophobicContact CD1-CG 3.98Å; L180-Y256 HydrophobicContact CD2-CD1 3.52Å; L180-Y256 HydrophobicContact CD2-CE1 3.99Å; L180-Y256 HydrophobicContact CD2-CG 4.36Å; L180-Y256 HydrophobicContact CG-CD1 4.05Å; L180-I258 HydrophobicContact CD1-CD1 4.09Å; L180-I258 HydrophobicContact CD1-CG1 4.22Å; L180-T279 HydrophobicContact CD2-CG2 3.82Å; L180-V281 HydrophobicContact CD1-CG2 4.2Å; L180-V281 HydrophobicContact CD2-CG2 3.68Å; L180-V281 HydrophobicContact CG-CG2 4.16Å
181Q98.1Very high98.5Very high136 Ų13632 Ų3264%0.63618%0.18SC*.  trans46.756.5179.3-53.5-169-74.700112.3V176 S178V176-Q181 PolarHBondContact O-N 2.91Å; S178-Q181 WeakPolarHBondContact O-CG 3.38Å
182P98.6Very high98.5Very high16 Ų1631.6 Ų31.610%0.10418%0.18CC..PPolyproline II helixtrans-62.2148-173.429-36.3000110.9V176 E186 A207 C209 Y256V176-P182 HydrophobicContact CG1-CG 4.01Å; V176-P182 VanDerWaalsContact O-CD 3.31Å; V176-P182 WeakPolarHBondContact O-CD 3.45Å; P182-E186 WeakPolarHBondContact CA-OE2 3.31Å; P182-E186 HydrophobicContact CB-CB 4.48Å; P182-A207 HydrophobicContact CG-CB 3.58Å; P182-C209 VanDerWaalsContact CB-SG 3.52Å; P182-C209 WeakPolarHBondContact CG-SG 3.34Å; P182-Y256 HydrophobicContact CB-CD2 4.04Å; P182-Y256 HydrophobicContact CB-CE2 3.49Å; P182-Y256 VanDerWaalsContact CB-CE2 3.49Å
183K98.3Very high98.4Very high148 Ų14831.6 Ų31.664%0.64318%0.18SC*.PPolyproline II helixtrans-80.2153.3167.8-60.3174.5-171.6158.80109.6G185 E186K183-G185 PolarHBondContact O-N 3.13Å; K183-E186 HydrophobicContact CB-CG 4.04Å; K183-E186 PolarHBondContact N-OE2 3.02Å; K183-E186 WeakPolarHBondContact O-CB 3.08Å; K183-E186 PolarHBondContact O-N 3.03Å
184V98.5Very high98.3Very high130 Ų13032.5 Ų32.579%0.78819%0.189SC*.THydrogen-bonded Turntrans-53.9126.1173.5178.10000109.8G208V184-G208 WeakPolarHBondContact CA-O 3.04Å
185G98.3Very high98.2Very high49 Ų4933 Ų3351%0.50519%0.194SC..THydrogen-bonded Turntrans86.5-0.2-178.800000115.7K183 G208 Y210K183-G185 PolarHBondContact O-N 3.13Å; G185-G208 PolarHBondContact N-O 2.96Å; G185-Y210 CarbonylContact C-O 3.5Å
186E98.7Very high98.2Very high37 Ų3734.7 Ų34.717%0.17320%0.204CC..  trans-74141.5167.8-70.9178.2167.100110.1P182 K183 C209 Y210 D255 Y256P182-E186 WeakPolarHBondContact CA-OE2 3.31Å; P182-E186 HydrophobicContact CB-CB 4.48Å; K183-E186 HydrophobicContact CB-CG 4.04Å; K183-E186 PolarHBondContact N-OE2 3.02Å; K183-E186 WeakPolarHBondContact O-CB 3.08Å; K183-E186 PolarHBondContact O-N 3.03Å; E186-C209 CarbonylContact O-C 3.47Å; E186-C209 WeakPolarHBondContact O-CA 3.28Å; E186-C209 VanDerWaalsContact O-CB 3.25Å; E186-C209 WeakPolarHBondContact O-CB 3.4Å; E186-Y210 PolarHBondContact O-N 3.24Å; E186-D255 WeakPolarHBondContact CA-OD2 2.98Å; E186-D255 HydrophobicContact CB-CB 4.15Å; E186-Y256 HydrophobicContact CB-CE2 3.87Å; E186-Y256 VanDerWaalsContact OE2-CE2 3.23Å; E186-Y256 WeakPolarHBondContact OE2-CE2 3.47Å; E186-Y256 PolarHBondContact OE2-OH 2.86Å
187G98.8Very high98.2Very high3 Ų334.7 Ų34.73%0.03120%0.204CC..  trans-89144.5-174.800000112.7P211 D255 Y256G187-P211 WeakPolarHBondContact CA-O 3.2Å; G187-D255 PolarHBondContact N-OD2 2.78Å; G187-D255 PolarHBondContact O-N 3.48Å; G187-Y256 PolarHBondContact O-N 3.01Å; G187-Y256 VanDerWaalsContact O-N 3.13Å
188I98.9Very high98.2Very high0 Ų032.5 Ų32.50%019%0.192CC..EExtended strand (participates in β ladder)trans-140139.4177.5-174.7164.8000112.5V176 L180 A204 C209 P211 I212 V213 Y256 I258V176-I188 HydrophobicContact CG2-CD1 4.09Å; L180-I188 HydrophobicContact CD1-CD1 4.15Å; I188-A204 HydrophobicContact CG2-CB 3.57Å; I188-C209 HydrophobicContact CG2-CB 3.75Å; I188-P211 PolarHBondContact N-O 2.65Å; I188-I212 HydrophobicContact CG2-CB 4.48Å; I188-I212 HydrophobicContact CG2-CG1 4.12Å; I188-I212 HydrophobicContact CG2-CG2 4.31Å; I188-I212 WeakPolarHBondContact O-CA 3.39Å; I188-V213 PolarHBondContact O-N 2.88Å; I188-Y256 CarbonylContact C-O 3.54Å; I188-Y256 VanDerWaalsContact CA-O 3.24Å; I188-Y256 WeakPolarHBondContact CA-O 3.49Å; I188-I258 HydrophobicContact CD1-CD1 3.87Å; I188-I258 HydrophobicContact CD1-CG1 4.34Å
189A98.9Very high98.2Very high0 Ų030.4 Ų30.40%018%0.178CC..EExtended strand (participates in β ladder)trans-111.3143.9166.200000111.8F191 V213 I245 L254 Y256 V257 I258A189-F191 HydrophobicContact CB-CD2 4.3Å; A189-F191 HydrophobicContact CB-CE2 3.92Å; A189-V213 CarbonylContact C-O 3.22Å; A189-V213 VanDerWaalsContact CA-O 3.26Å; A189-V213 WeakPolarHBondContact CA-O 3.43Å; A189-V213 HydrophobicContact CB-CB 4.04Å; A189-I245 HydrophobicContact CB-CD1 3.81Å; A189-L254 HydrophobicContact CB-CD1 3.45Å; A189-L254 VanDerWaalsContact CB-CD1 3.45Å; A189-Y256 PolarHBondContact N-O 3.14Å; A189-V257 HydrophobicContact CB-CG1 4.22Å; A189-V257 HydrophobicContact CB-CG2 4.27Å; A189-V257 CarbonylContact O-C 3.59Å; A189-V257 WeakPolarHBondContact O-CA 3.4Å; A189-I258 PolarHBondContact O-N 2.88Å
190V98.9Very high98.3Very high0 Ų029 Ų290%017%0.169CC..EExtended strand (participates in β ladder)trans-122111.4173.3-177.70000108.6A200 V201 V213 I215 I258V190-A200 HydrophobicContact CG1-CB 4.36Å; V190-A200 HydrophobicContact CG2-CB 3.94Å; V190-V201 HydrophobicContact CB-CG2 4.08Å; V190-V201 HydrophobicContact CG1-CG2 4.46Å; V190-V201 HydrophobicContact CG2-CG2 3.96Å; V190-V213 PolarHBondContact N-O 2.88Å; V190-I215 PolarHBondContact O-N 3.15Å; V190-I258 WeakPolarHBondContact CA-O 3.43Å
191F98.7Very high98.3Very high1 Ų128.2 Ų28.20%0.00417%0.165CC..EExtended strand (participates in β ladder)trans-89.5123.3173.6-70.8-111.6000109.2A189 I215 P241 I245 V257 I258 S260 T261 V266 S270A189-F191 HydrophobicContact CB-CD2 4.3Å; A189-F191 HydrophobicContact CB-CE2 3.92Å; F191-I215 HydrophobicContact CD1-CB 4.03Å; F191-I215 HydrophobicContact CD1-CD1 4.06Å; F191-I215 HydrophobicContact CD1-CG2 3.71Å; F191-I215 HydrophobicContact CD2-CD1 4.05Å; F191-I215 HydrophobicContact CE1-CB 4.36Å; F191-I215 HydrophobicContact CE1-CD1 3.61Å; F191-I215 HydrophobicContact CE1-CG2 3.98Å; F191-I215 HydrophobicContact CE2-CD1 3.55Å; F191-I215 HydrophobicContact CG-CB 4.22Å; F191-I215 HydrophobicContact CG-CD1 4.28Å; F191-I215 HydrophobicContact CG-CG2 4.37Å; F191-I215 HydrophobicContact CZ-CD1 3.33Å; F191-P241 HydrophobicContact CE1-CB 3.83Å; F191-P241 HydrophobicContact CE1-CG 3.91Å; F191-P241 HydrophobicContact CZ-CB 4.27Å; F191-I245 HydrophobicContact CE2-CD1 4.02Å; F191-I245 HydrophobicContact CZ-CD1 3.94Å; F191-V257 HydrophobicContact CD2-CG1 3.55Å; F191-V257 HydrophobicContact CE2-CG1 3.42Å; F191-V257 VanDerWaalsContact CE2-CG1 3.42Å; F191-I258 PolarHBondContact N-O 2.89Å; F191-S260 PolarHBondContact O-N 3.21Å; F191-S260 PolarHBondContact O-OG 3.26Å; F191-T261 HydrophobicContact CB-CG2 4.41Å; F191-V266 HydrophobicContact CB-CG1 4.12Å; F191-V266 HydrophobicContact CD1-CG1 3.66Å; F191-V266 HydrophobicContact CG-CG1 4.29Å; F191-S270 WeakPolarHBondContact CD1-OG 3.43Å; F191-S270 VanDerWaalsContact CD2-OG 3.25Å; F191-S270 WeakPolarHBondContact CD2-OG 3.45Å; F191-S270 WeakPolarHBondContact CG-OG 3.15Å
192G97.8Very high98.3Very high7 Ų721.8 Ų21.87%0.07214%0.135CC..  trans86.9119.2-170.600000111.8G197 I215 D216 S260G192-G197 WeakPolarHBondContact O-CA 3.39Å; G192-I215 PolarHBondContact N-O 3.21Å; G192-D216 WeakPolarHBondContact CA-OD2 3.43Å; G192-S260 PolarHBondContact O-OG 3.29Å
193T97.1Very high98.3Very high0 Ų021 Ų210%013%0.13CC..  trans-11051.9-179.453.80000111.5F198 A214 D216 R221 L222 A225T193-F198 HydrophobicContact CG2-CE1 4.23Å; T193-F198 WeakPolarHBondContact O-CZ 3.24Å; T193-A214 HydrophobicContact CG2-CB 3.87Å; T193-D216 HydrophobicContact CG2-CB 4.17Å; T193-D216 PolarHBondContact N-OD2 3.16Å; T193-D216 WeakPolarHBondContact OG1-CB 3.44Å; T193-D216 PolarHBondContact OG1-OD2 3.12Å; T193-R221 WeakPolarHBondContact OG1-CB 3.43Å; T193-L222 HydrophobicContact CG2-CD2 4.42Å; T193-A225 HydrophobicContact CG2-CB 4.08Å
194G96.2Very high98.4Very high20 Ų2014 Ų1421%0.20610%0.099CC..SBendtrans-88.1-168.8165.800000112.1V196 G197 F198G194-V196 VanDerWaalsContact C-N 3.33Å; G194-V196 PolarHBondContact O-N 3.05Å; G194-G197 PolarHBondContact O-N 2.74Å; G194-F198 PolarHBondContact O-N 3.11Å
195A96.9Very high98.4Very high11 Ų1113 Ų139%0.0918%0.084CC..Hα-helixtrans-53.9-44.7-179.400000113.6L169 S199 I358 K359L169-A195 HydrophobicContact CD2-CB 4.21Å; L169-A195 WeakPolarHBondContact CD2-O 3.48Å; A195-S199 VanDerWaalsContact O-CB 3.32Å; A195-S199 WeakPolarHBondContact O-CB 3.42Å; A195-S199 PolarHBondContact O-N 3.01Å; A195-I358 HydrophobicContact CB-CG2 4.44Å; A195-K359 VanDerWaalsContact CB-CE 3.45Å
196V98Very high98.4Very high35 Ų3512.7 Ų12.721%0.2127%0.071CC..Hα-helixtrans-63.9-45.6176.3179.70000111T171 G172 G194 S199 A200 L283T171-V196 HydrophobicContact CG2-CG1 4.36Å; G172-V196 WeakPolarHBondContact CA-O 3.35Å; G194-V196 VanDerWaalsContact C-N 3.33Å; G194-V196 PolarHBondContact O-N 3.05Å; V196-S199 WeakPolarHBondContact O-CB 3.49Å; V196-S199 PolarHBondContact O-N 3.36Å; V196-A200 PolarHBondContact O-N 3.06Å; V196-L283 HydrophobicContact CG1-CB 4.4Å; V196-L283 HydrophobicContact CG1-CD1 3.74Å
197G98.4Very high98.4Very high0 Ų012 Ų120%07%0.071CC..Hα-helixtrans-65.1-46-18000000113.2G192 G194 S199 A200 V201G192-G197 WeakPolarHBondContact O-CA 3.39Å; G194-G197 PolarHBondContact O-N 2.74Å; G197-S199 VanDerWaalsContact C-N 3.29Å; G197-S199 PolarHBondContact O-N 3.06Å; G197-A200 WeakPolarHBondContact O-CB 3.49Å; G197-A200 PolarHBondContact O-N 3Å; G197-A200 VanDerWaalsContact O-N 3.12Å; G197-V201 WeakPolarHBondContact O-CG2 3.38Å; G197-V201 PolarHBondContact O-N 3.34Å
198F98.6Very high98.4Very high0 Ų013.2 Ų13.20%08%0.084CC..Hα-helixtrans-59.6-40.3173.2-75.8-15.8000112.3T193 G194 A200 V201 M202 R221 K224 A225 L228 F336 I358T193-F198 HydrophobicContact CG2-CE1 4.23Å; T193-F198 WeakPolarHBondContact O-CZ 3.24Å; G194-F198 PolarHBondContact O-N 3.11Å; F198-A200 VanDerWaalsContact C-N 3.34Å; F198-A200 PolarHBondContact O-N 3.49Å; F198-V201 PolarHBondContact O-N 2.9Å; F198-M202 WeakPolarHBondContact O-CE 3.15Å; F198-M202 WeakPolarHBondContact O-CG 3.41Å; F198-M202 PolarHBondContact O-N 3.46Å; F198-R221 WeakPolarHBondContact CE1-O 3.38Å; F198-R221 HydrophobicContact CZ-CB 4.23Å; F198-R221 WeakPolarHBondContact CZ-O 3.28Å; F198-K224 HydrophobicContact CE1-CB 4.44Å; F198-K224 HydrophobicContact CE1-CG 4.35Å; F198-K224 HydrophobicContact CE2-CB 4.34Å; F198-K224 HydrophobicContact CE2-CG 3.69Å; F198-K224 HydrophobicContact CZ-CB 3.77Å; F198-K224 HydrophobicContact CZ-CG 3.6Å; F198-A225 HydrophobicContact CD1-CB 4.31Å; F198-A225 HydrophobicContact CE1-CB 3.85Å; F198-L228 HydrophobicContact CB-CD1 3.76Å; F198-L228 HydrophobicContact CD1-CD1 3.81Å; F198-L228 HydrophobicContact CD2-CD1 3.69Å; F198-L228 HydrophobicContact CE1-CD1 4.26Å; F198-L228 HydrophobicContact CE2-CD1 4.19Å; F198-L228 HydrophobicContact CG-CD1 3.5Å; F198-L228 HydrophobicContact CZ-CD1 4.47Å; F198-F336 HydrophobicContact CB-CE1 4.11Å; F198-F336 HydrophobicContact CB-CZ 4.22Å; F198-F336 HydrophobicContact CD2-CB 4.44Å; F198-F336 AromaticContact CD2-CD1 3.75Å; F198-F336 HydrophobicContact CD2-CD1 3.75Å; F198-F336 HydrophobicContact CD2-CD2 4.3Å; F198-F336 AromaticContact CD2-CE1 3.98Å; F198-F336 HydrophobicContact CD2-CE1 3.98Å; F198-F336 AromaticContact CD2-CG 3.91Å; F198-F336 HydrophobicContact CD2-CG 3.91Å; F198-F336 HydrophobicContact CD2-CZ 4.37Å; F198-F336 HydrophobicContact CE2-CB 4.33Å; F198-F336 HydrophobicContact CE2-CD1 4.32Å; F198-F336 HydrophobicContact CE2-CG 4.29Å; F198-F336 HydrophobicContact CG-CE1 4.48Å; F198-I358 HydrophobicContact CD2-CG2 3.72Å; F198-I358 HydrophobicContact CE2-CB 4.35Å; F198-I358 HydrophobicContact CE2-CD1 4.15Å; F198-I358 HydrophobicContact CE2-CG1 3.93Å; F198-I358 HydrophobicContact CE2-CG2 3.73Å
199S98.7Very high98.4Very high0 Ų013.6 Ų13.60%09%0.086CC..Hα-helixtrans-59.6-44.4173175.50000112.3L169 S173 A195 V196 G197 M202 A203 F331L169-S199 WeakPolarHBondContact O-CB 3.43Å; L169-S199 PolarHBondContact O-OG 3.23Å; S173-S199 WeakPolarHBondContact CB-OG 3.42Å; S173-S199 PolarHBondContact N-OG 3.24Å; A195-S199 VanDerWaalsContact O-CB 3.32Å; A195-S199 WeakPolarHBondContact O-CB 3.42Å; A195-S199 PolarHBondContact O-N 3.01Å; V196-S199 WeakPolarHBondContact O-CB 3.49Å; V196-S199 PolarHBondContact O-N 3.36Å; G197-S199 VanDerWaalsContact C-N 3.29Å; G197-S199 PolarHBondContact O-N 3.06Å; S199-M202 PolarHBondContact O-N 3.07Å; S199-A203 WeakPolarHBondContact O-CB 3.43Å; S199-A203 PolarHBondContact O-N 3.12Å; S199-F331 WeakPolarHBondContact OG-CZ 3.46Å
200A98.9Very high98.4Very high0 Ų020.4 Ų20.40%011%0.113CC..Hα-helixtrans-63.8-40175.100000112.6V176 V190 V196 G197 F198 A203 A204 I258V176-A200 HydrophobicContact CG2-CB 4.04Å; V190-A200 HydrophobicContact CG1-CB 4.36Å; V190-A200 HydrophobicContact CG2-CB 3.94Å; V196-A200 PolarHBondContact O-N 3.06Å; G197-A200 WeakPolarHBondContact O-CB 3.49Å; G197-A200 PolarHBondContact O-N 3Å; G197-A200 VanDerWaalsContact O-N 3.12Å; F198-A200 VanDerWaalsContact C-N 3.34Å; F198-A200 PolarHBondContact O-N 3.49Å; A200-A203 PolarHBondContact O-N 3.18Å; A200-A204 VanDerWaalsContact O-CB 3.26Å; A200-A204 WeakPolarHBondContact O-CB 3.45Å; A200-A204 PolarHBondContact O-N 3.35Å; A200-I258 HydrophobicContact CB-CD1 3.83Å
201V98.9Very high98.4Very high0 Ų021.4 Ų21.40%012%0.12CC..Hα-helixtrans-61.7-49.7175.8168.20000111.5V190 G197 F198 A203 A204 K205 I212 A214 A230V190-V201 HydrophobicContact CB-CG2 4.08Å; V190-V201 HydrophobicContact CG1-CG2 4.46Å; V190-V201 HydrophobicContact CG2-CG2 3.96Å; G197-V201 WeakPolarHBondContact O-CG2 3.38Å; G197-V201 PolarHBondContact O-N 3.34Å; F198-V201 PolarHBondContact O-N 2.9Å; V201-A203 VanDerWaalsContact C-N 3.34Å; V201-A203 PolarHBondContact O-N 3.45Å; V201-A204 PolarHBondContact O-N 3.27Å; V201-K205 PolarHBondContact O-N 2.86Å; V201-I212 HydrophobicContact CG1-CG2 4.21Å; V201-A214 HydrophobicContact CG2-CB 4.39Å; V201-A230 HydrophobicContact CG1-CB 4.04Å
202M98.9Very high98.4Very high0 Ų021.7 Ų21.70%012%0.121CC..Hα-helixtrans-63.7-41.4178.6-67.3-178.4-72.900111.1F198 S199 K205 I206 L228 F331 P332 F333 F336F198-M202 WeakPolarHBondContact O-CE 3.15Å; F198-M202 WeakPolarHBondContact O-CG 3.41Å; F198-M202 PolarHBondContact O-N 3.46Å; S199-M202 PolarHBondContact O-N 3.07Å; M202-K205 WeakPolarHBondContact O-CB 3.47Å; M202-K205 PolarHBondContact O-N 2.98Å; M202-I206 WeakPolarHBondContact O-CG1 3.26Å; M202-I206 PolarHBondContact O-N 3Å; M202-L228 HydrophobicContact CG-CB 3.88Å; M202-L228 HydrophobicContact CG-CD2 4.36Å; M202-L228 HydrophobicContact SD-CD2 3.89Å; M202-F331 HydrophobicContact CB-CD2 3.4Å; M202-F331 HydrophobicContact CB-CE2 3.6Å; M202-F331 HydrophobicContact CB-CG 4.42Å; M202-F331 HydrophobicContact CE-CD1 4.47Å; M202-F331 HydrophobicContact CE-CD2 4Å; M202-F331 HydrophobicContact CE-CE1 4.19Å; M202-F331 HydrophobicContact CE-CE2 3.72Å; M202-F331 HydrophobicContact CE-CG 4.35Å; M202-F331 HydrophobicContact CE-CZ 3.79Å; M202-F331 HydrophobicContact CG-CD2 4.3Å; M202-F331 HydrophobicContact SD-CD2 4.02Å; M202-F331 HydrophobicContact SD-CE2 4.32Å; M202-F331 HydrophobicContact SD-CG 4.25Å; M202-P332 HydrophobicContact SD-CG 4.34Å; M202-F333 HydrophobicContact CE-CB 4.19Å; M202-F336 HydrophobicContact CE-CE1 3.82Å; M202-F336 HydrophobicContact CE-CZ 3.92Å; M202-F336 HydrophobicContact SD-CE1 4.48Å
203A98.9Very high98.4Very high0 Ų021.3 Ų21.30%012%0.118CC..Hα-helixtrans-65.1-37.9176.500000113.1V176 L177 S199 A200 V201 K205 I206 A207V176-A203 HydrophobicContact CB-CB 3.85Å; V176-A203 HydrophobicContact CG1-CB 4.21Å; V176-A203 HydrophobicContact CG2-CB 4.26Å; L177-A203 HydrophobicContact CD1-CB 4.27Å; L177-A203 HydrophobicContact CD2-CB 4.49Å; L177-A203 HydrophobicContact CG-CB 4.03Å; S199-A203 WeakPolarHBondContact O-CB 3.43Å; S199-A203 PolarHBondContact O-N 3.12Å; A200-A203 PolarHBondContact O-N 3.18Å; V201-A203 VanDerWaalsContact C-N 3.34Å; V201-A203 PolarHBondContact O-N 3.45Å; A203-K205 VanDerWaalsContact C-N 3.33Å; A203-I206 PolarHBondContact O-N 3.24Å; A203-A207 WeakPolarHBondContact O-CB 3.35Å; A203-A207 PolarHBondContact O-N 3.21Å
204A98.9Very high98.5Very high0 Ų021.3 Ų21.30%012%0.118CC..Hα-helixtrans-62.5-40.6173.300000111.8V176 I188 A200 V201 A207 G208 C209 I212V176-A204 HydrophobicContact CG1-CB 4.4Å; I188-A204 HydrophobicContact CG2-CB 3.57Å; A200-A204 VanDerWaalsContact O-CB 3.26Å; A200-A204 WeakPolarHBondContact O-CB 3.45Å; A200-A204 PolarHBondContact O-N 3.35Å; V201-A204 PolarHBondContact O-N 3.27Å; A204-A207 PolarHBondContact O-N 3.4Å; A204-G208 PolarHBondContact O-N 3.25Å; A204-C209 HydrophobicContact CB-CB 4.08Å; A204-C209 WeakPolarHBondContact O-CB 3.39Å; A204-C209 PolarHBondContact O-N 3.27Å; A204-I212 HydrophobicContact CB-CD1 3.99Å; A204-I212 HydrophobicContact CB-CG1 4.15Å; A204-I212 HydrophobicContact CB-CG2 4.22Å
205K98.8Very high98.6Very high109 Ų10920.5 Ų20.547%0.47411%0.108SC..Hα-helixtrans-62-46.9173.8-175.8-168.3-175.2177.30111.2V201 M202 A203 A207 G208 I212V201-K205 PolarHBondContact O-N 2.86Å; M202-K205 WeakPolarHBondContact O-CB 3.47Å; M202-K205 PolarHBondContact O-N 2.98Å; A203-K205 VanDerWaalsContact C-N 3.33Å; K205-A207 VanDerWaalsContact C-N 3.26Å; K205-A207 PolarHBondContact O-N 3.12Å; K205-G208 PolarHBondContact O-N 2.85Å; K205-I212 HydrophobicContact CB-CD1 3.97Å
206I98.6Very high98.7Very high43 Ų4320.7 Ų20.722%0.22111%0.108CC..Hα-helixtrans-58.3-40.2176.5-71163.3000111.1L177 M202 A203 G208 F325 E330 F331L177-I206 HydrophobicContact CD2-CG2 4.24Å; M202-I206 WeakPolarHBondContact O-CG1 3.26Å; M202-I206 PolarHBondContact O-N 3Å; A203-I206 PolarHBondContact O-N 3.24Å; I206-G208 PolarHBondContact O-N 2.76Å; I206-F325 HydrophobicContact CD1-CB 4Å; I206-F325 HydrophobicContact CD1-CD1 4.14Å; I206-F325 HydrophobicContact CD1-CD2 4.01Å; I206-F325 HydrophobicContact CD1-CG 3.81Å; I206-F325 HydrophobicContact CG1-CD1 4.47Å; I206-F325 HydrophobicContact CG2-CD1 4.25Å; I206-F325 HydrophobicContact CG2-CE1 3.7Å; I206-F325 HydrophobicContact CG2-CE2 4.12Å; I206-F325 HydrophobicContact CG2-CZ 3.63Å; I206-E330 HydrophobicContact CD1-CB 4.39Å; I206-E330 HydrophobicContact CG1-CB 4.18Å; I206-F331 HydrophobicContact CD1-CB 4.22Å; I206-F331 HydrophobicContact CD1-CD2 3.95Å
207A98.5Very high98.6Very high23 Ų2323.1 Ų23.119%0.1912%0.119CC..THydrogen-bonded Turntrans-76-5.317900000114.2V176 L177 P182 A203 A204 K205V176-A207 HydrophobicContact CG1-CB 4.44Å; L177-A207 HydrophobicContact CD2-CB 4.01Å; P182-A207 HydrophobicContact CG-CB 3.58Å; A203-A207 WeakPolarHBondContact O-CB 3.35Å; A203-A207 PolarHBondContact O-N 3.21Å; A204-A207 PolarHBondContact O-N 3.4Å; K205-A207 VanDerWaalsContact C-N 3.26Å; K205-A207 PolarHBondContact O-N 3.12Å
208G98.6Very high98.4Very high28 Ų2825.7 Ų25.729%0.28913%0.132SC..THydrogen-bonded Turntrans77.526179.600000114.2V184 G185 A204 K205 I206V184-G208 WeakPolarHBondContact CA-O 3.04Å; G185-G208 PolarHBondContact N-O 2.96Å; A204-G208 PolarHBondContact O-N 3.25Å; K205-G208 PolarHBondContact O-N 2.85Å; I206-G208 PolarHBondContact O-N 2.76Å
209C98.9Very high98.3Very high8 Ų829.8 Ų29.85%0.05416%0.155CC..  trans-64.4146.3174.7-64.20000111.8P182 E186 I188 A204 I212P182-C209 VanDerWaalsContact CB-SG 3.52Å; P182-C209 WeakPolarHBondContact CG-SG 3.34Å; E186-C209 CarbonylContact O-C 3.47Å; E186-C209 WeakPolarHBondContact O-CA 3.28Å; E186-C209 VanDerWaalsContact O-CB 3.25Å; E186-C209 WeakPolarHBondContact O-CB 3.4Å; I188-C209 HydrophobicContact CG2-CB 3.75Å; A204-C209 HydrophobicContact CB-CB 4.08Å; A204-C209 WeakPolarHBondContact O-CB 3.39Å; A204-C209 PolarHBondContact O-N 3.27Å; C209-I212 HydrophobicContact CB-CD1 4.18Å; C209-I212 HydrophobicContact CB-CG1 3.8Å; C209-I212 WeakPolarHBondContact O-CD1 3.21Å; C209-I212 WeakPolarHBondContact O-CG1 3.29Å
210Y98.6Very high98.1Very high144 Ų14437.6 Ų37.657%0.56519%0.191SC*.SBendtrans-160.1132.5168.4-171.6-91000111.1G185 E186G185-Y210 CarbonylContact C-O 3.5Å; E186-Y210 PolarHBondContact O-N 3.24Å
211P98.7Very high98Very high21 Ų2139.9 Ų39.914%0.13620%0.199CC..SBendcis-71.4156.6-5.732-36.3000112.1G187 I188 V213 L248 L254G187-P211 WeakPolarHBondContact CA-O 3.2Å; I188-P211 PolarHBondContact N-O 2.65Å; P211-V213 HydrophobicContact CB-CG2 4.28Å; P211-V213 HydrophobicContact CG-CG2 4.41Å; P211-L248 HydrophobicContact CB-CD2 4.18Å; P211-L248 HydrophobicContact CG-CD2 4.04Å; P211-L248 HydrophobicContact CG-CG 4.48Å; P211-L254 HydrophobicContact CG-CD2 3.7Å
212I98.9Very high98Very high6 Ų640 Ų403%0.03120%0.2CC..EExtended strand (participates in β ladder)trans-111.8107.5169.9-57.7170.3000106.3I188 V201 A204 K205 C209 A230 S231 H232I188-I212 HydrophobicContact CG2-CB 4.48Å; I188-I212 HydrophobicContact CG2-CG1 4.12Å; I188-I212 HydrophobicContact CG2-CG2 4.31Å; I188-I212 WeakPolarHBondContact O-CA 3.39Å; V201-I212 HydrophobicContact CG1-CG2 4.21Å; A204-I212 HydrophobicContact CB-CD1 3.99Å; A204-I212 HydrophobicContact CB-CG1 4.15Å; A204-I212 HydrophobicContact CB-CG2 4.22Å; K205-I212 HydrophobicContact CB-CD1 3.97Å; C209-I212 HydrophobicContact CB-CD1 4.18Å; C209-I212 HydrophobicContact CB-CG1 3.8Å; C209-I212 WeakPolarHBondContact O-CD1 3.21Å; C209-I212 WeakPolarHBondContact O-CG1 3.29Å; I212-A230 CarbonylContact O-C 3.54Å; I212-S231 PolarHBondContact N-OG 3.28Å; I212-S231 PolarHBondContact O-N 2.78Å; I212-S231 PolarHBondContact O-OG 2.9Å; I212-H232 PolarHBondContact O-N 3.24Å
213V98.9Very high97.9Very high0 Ų044.7 Ų44.70%022%0.222CC..EExtended strand (participates in β ladder)trans-103.4119.8-174-177.20000109.5I188 A189 V190 P211 I215 H232 F244 I245 L248 L254I188-V213 PolarHBondContact O-N 2.88Å; A189-V213 CarbonylContact C-O 3.22Å; A189-V213 VanDerWaalsContact CA-O 3.26Å; A189-V213 WeakPolarHBondContact CA-O 3.43Å; A189-V213 HydrophobicContact CB-CB 4.04Å; V190-V213 PolarHBondContact N-O 2.88Å; P211-V213 HydrophobicContact CB-CG2 4.28Å; P211-V213 HydrophobicContact CG-CG2 4.41Å; V213-I215 HydrophobicContact CG1-CD1 4.03Å; V213-I215 HydrophobicContact CG1-CG1 4Å; V213-H232 WeakPolarHBondContact CA-O 3.32Å; V213-H232 HydrophobicContact CG2-CB 4.19Å; V213-F244 HydrophobicContact CG1-CD1 4.37Å; V213-F244 HydrophobicContact CG1-CE1 3.81Å; V213-I245 HydrophobicContact CG1-CG1 4.41Å; V213-L248 HydrophobicContact CG2-CD2 3.63Å; V213-L254 HydrophobicContact CB-CD1 4.33Å; V213-L254 HydrophobicContact CG2-CD1 3.95Å
214A98.9Very high97.9Very high0 Ų047 Ų470%023%0.232CC..EExtended strand (participates in β ladder)trans-102.7127.5172.900000110.5T193 V201 L222 A225 A230 H232 I233 F234T193-A214 HydrophobicContact CG2-CB 3.87Å; V201-A214 HydrophobicContact CG2-CB 4.39Å; A214-L222 HydrophobicContact CB-CD2 4.47Å; A214-L222 WeakPolarHBondContact O-CD2 3.46Å; A214-A225 HydrophobicContact CB-CB 3.55Å; A214-A230 HydrophobicContact CB-CB 3.72Å; A214-H232 PolarHBondContact N-O 3.14Å; A214-I233 HydrophobicContact CB-CG2 4.35Å; A214-I233 CarbonylContact O-C 3.52Å; A214-I233 WeakPolarHBondContact O-CA 3.27Å; A214-F234 PolarHBondContact O-N 3.43Å
215I98.8Very high97.9Very high2 Ų247 Ų471%0.0123%0.232CC..EExtended strand (participates in β ladder)trans-122.3128.7-177.9-66.9159.8000109V190 F191 G192 V213 F234 P241 I245V190-I215 PolarHBondContact O-N 3.15Å; F191-I215 HydrophobicContact CD1-CB 4.03Å; F191-I215 HydrophobicContact CD1-CD1 4.06Å; F191-I215 HydrophobicContact CD1-CG2 3.71Å; F191-I215 HydrophobicContact CD2-CD1 4.05Å; F191-I215 HydrophobicContact CE1-CB 4.36Å; F191-I215 HydrophobicContact CE1-CD1 3.61Å; F191-I215 HydrophobicContact CE1-CG2 3.98Å; F191-I215 HydrophobicContact CE2-CD1 3.55Å; F191-I215 HydrophobicContact CG-CB 4.22Å; F191-I215 HydrophobicContact CG-CD1 4.28Å; F191-I215 HydrophobicContact CG-CG2 4.37Å; F191-I215 HydrophobicContact CZ-CD1 3.33Å; G192-I215 PolarHBondContact N-O 3.21Å; V213-I215 HydrophobicContact CG1-CD1 4.03Å; V213-I215 HydrophobicContact CG1-CG1 4Å; I215-F234 WeakPolarHBondContact CA-O 3.38Å; I215-F234 HydrophobicContact CG1-CB 4.18Å; I215-P241 HydrophobicContact CD1-CB 3.89Å; I215-P241 HydrophobicContact CG1-CB 4.42Å; I215-P241 HydrophobicContact CG2-CB 3.99Å; I215-I245 HydrophobicContact CD1-CD1 3.66Å; I215-I245 HydrophobicContact CD1-CG1 4.38Å
216D97.6Very high97.9Very high16 Ų1647.4 Ų47.49%0.08623%0.234CC..EExtended strand (participates in β ladder)trans-153.2-171.5175.7-156.7-84.4000108.9G192 T193 N218 L222 F234 N235 S236G192-D216 WeakPolarHBondContact CA-OD2 3.43Å; T193-D216 HydrophobicContact CG2-CB 4.17Å; T193-D216 PolarHBondContact N-OD2 3.16Å; T193-D216 WeakPolarHBondContact OG1-CB 3.44Å; T193-D216 PolarHBondContact OG1-OD2 3.12Å; D216-N218 WeakPolarHBondContact OD1-CB 3.43Å; D216-N218 PolarHBondContact OD1-N 3.24Å; D216-L222 HydrophobicContact CB-CD2 3.83Å; D216-L222 HydrophobicContact CB-CG 4.08Å; D216-F234 PolarHBondContact N-O 3.19Å; D216-N235 CarbonylContact O-C 3.59Å; D216-N235 WeakPolarHBondContact O-CA 3.48Å; D216-S236 PolarHBondContact O-N 3.12Å; D216-S236 PolarHBondContact O-OG 3.44Å
217I96.2Very high97.8Very high86 Ų8651 Ų5144%0.44125%0.25SC..SBendtrans-114.1-1.9173.360.9167.4000112.5N235 S236 K237I217-N235 WeakPolarHBondContact CA-OD1 3.28Å; I217-N235 PolarHBondContact O-ND2 2.76Å; I217-S236 VanDerWaalsContact CG2-OG 3.29Å; I217-S236 WeakPolarHBondContact CG2-OG 3.33Å; I217-K237 HydrophobicContact CB-CD 3.98Å; I217-K237 HydrophobicContact CB-CG 3.94Å; I217-K237 HydrophobicContact CG2-CD 4.43Å; I217-K237 HydrophobicContact CG2-CG 3.86Å
218N95.4Very high97.8Very high53 Ų5350 Ų5028%0.28324%0.241SC..  trans-116.7112.4-176.4-178-35.4000110.6D216 Q220 R221 L222D216-N218 WeakPolarHBondContact OD1-CB 3.43Å; D216-N218 PolarHBondContact OD1-N 3.24Å; N218-Q220 VanDerWaalsContact C-N 3.31Å; N218-Q220 PolarHBondContact O-N 3.31Å; N218-Q220 WeakPolarHBondContact OD1-CB 3.38Å; N218-Q220 PolarHBondContact OD1-N 2.93Å; N218-R221 HydrophobicContact CB-CB 4.29Å; N218-R221 HydrophobicContact CB-CG 3.96Å; N218-R221 PolarHBondContact O-N 2.83Å; N218-R221 VanDerWaalsContact O-N 3.13Å; N218-R221 PolarHBondContact OD1-N 3.34Å; N218-L222 WeakPolarHBondContact O-CG 3.26Å; N218-L222 PolarHBondContact O-N 2.98Å; N218-L222 VanDerWaalsContact O-N 3.09Å
219D95.9Very high97.8Very high87 Ų8749.3 Ų49.347%0.46523%0.234SC..Hα-helixtrans-62.2-34.8-176.5-58.6-42.2000113.4R221 L222 E223 N235D219-R221 VanDerWaalsContact C-N 3.28Å; D219-R221 PolarHBondContact O-N 3.23Å; D219-L222 WeakPolarHBondContact O-CB 3.47Å; D219-L222 PolarHBondContact O-N 3.05Å; D219-E223 PolarHBondContact O-N 3.43Å; D219-N235 PolarHBondContact OD1-ND2 2.99Å
220Q94.9Very high97.8Very high163 Ų16349.2 Ų49.276%0.76223%0.234SC*.Hα-helixtrans-65.3-36.1178-62.7179.3-5.200111.4N218 K224N218-Q220 VanDerWaalsContact C-N 3.31Å; N218-Q220 PolarHBondContact O-N 3.31Å; N218-Q220 WeakPolarHBondContact OD1-CB 3.38Å; N218-Q220 PolarHBondContact OD1-N 2.93Å; Q220-K224 PolarHBondContact O-N 3.46Å; Q220-K224 VanDerWaalsContact O-N 3.07Å
221R96.7Very high97.8Very high48 Ų4844.7 Ų44.718%0.18122%0.223CC..Hα-helixtrans-72.5-35.1175.4-59.7-175.5174.3-164.8-14.1112T193 F198 N218 D219 K224 A225 G355 I358T193-R221 WeakPolarHBondContact OG1-CB 3.43Å; F198-R221 WeakPolarHBondContact CE1-O 3.38Å; F198-R221 HydrophobicContact CZ-CB 4.23Å; F198-R221 WeakPolarHBondContact CZ-O 3.28Å; N218-R221 HydrophobicContact CB-CB 4.29Å; N218-R221 HydrophobicContact CB-CG 3.96Å; N218-R221 PolarHBondContact O-N 2.83Å; N218-R221 VanDerWaalsContact O-N 3.13Å; N218-R221 PolarHBondContact OD1-N 3.34Å; D219-R221 VanDerWaalsContact C-N 3.28Å; D219-R221 PolarHBondContact O-N 3.23Å; R221-K224 PolarHBondContact O-N 2.85Å; R221-A225 WeakPolarHBondContact O-CB 3.28Å; R221-A225 PolarHBondContact O-N 3.39Å; R221-G355 PolarHBondContact NH2-O 3.37Å; R221-I358 HydrophobicContact CG-CD1 3.73Å
222L98.2Very high97.8Very high4 Ų446 Ų462%0.02123%0.227CC..Hα-helixtrans-64.3-47.3174.4-70.5175.1000111.3T193 A214 D216 N218 D219 K224 A225 K226 I233 F234 N235T193-L222 HydrophobicContact CG2-CD2 4.42Å; A214-L222 HydrophobicContact CB-CD2 4.47Å; A214-L222 WeakPolarHBondContact O-CD2 3.46Å; D216-L222 HydrophobicContact CB-CD2 3.83Å; D216-L222 HydrophobicContact CB-CG 4.08Å; N218-L222 WeakPolarHBondContact O-CG 3.26Å; N218-L222 PolarHBondContact O-N 2.98Å; N218-L222 VanDerWaalsContact O-N 3.09Å; D219-L222 WeakPolarHBondContact O-CB 3.47Å; D219-L222 PolarHBondContact O-N 3.05Å; L222-K224 VanDerWaalsContact C-N 3.31Å; L222-K224 PolarHBondContact O-N 3.14Å; L222-A225 VanDerWaalsContact O-CB 3.31Å; L222-A225 WeakPolarHBondContact O-CB 3.23Å; L222-A225 PolarHBondContact O-N 3.09Å; L222-K226 PolarHBondContact O-N 2.84Å; L222-I233 HydrophobicContact CB-CB 4.13Å; L222-I233 HydrophobicContact CB-CD1 4.12Å; L222-I233 HydrophobicContact CD2-CB 4.22Å; L222-I233 WeakPolarHBondContact O-CG2 3.13Å; L222-F234 WeakPolarHBondContact CD1-O 3.42Å; L222-N235 HydrophobicContact CD1-CB 3.82Å
223E97.9Very high97.8Very high97 Ų9747.9 Ų47.945%0.45324%0.237SC..Hα-helixtrans-60-42.1174.5-69.4-54.5140.800111.7D219 A225 K226 E227 I233D219-E223 PolarHBondContact O-N 3.43Å; E223-A225 VanDerWaalsContact C-N 3.35Å; E223-A225 PolarHBondContact O-N 3.32Å; E223-K226 WeakPolarHBondContact O-CB 3.46Å; E223-K226 PolarHBondContact O-N 3.18Å; E223-E227 PolarHBondContact O-N 3.41Å; E223-E227 VanDerWaalsContact O-N 3.12Å; E223-I233 VanDerWaalsContact OE1-CD1 3.27Å; E223-I233 WeakPolarHBondContact OE1-CD1 3.36Å
224K97.9Very high97.8Very high49 Ų4949 Ų4921%0.21324%0.242CC..Hα-helixtrans-61.7-40.5172.3-177.558.663.5-177.40112.2F198 Q220 R221 L222 K226 E227 L228F198-K224 HydrophobicContact CE1-CB 4.44Å; F198-K224 HydrophobicContact CE1-CG 4.35Å; F198-K224 HydrophobicContact CE2-CB 4.34Å; F198-K224 HydrophobicContact CE2-CG 3.69Å; F198-K224 HydrophobicContact CZ-CB 3.77Å; F198-K224 HydrophobicContact CZ-CG 3.6Å; Q220-K224 PolarHBondContact O-N 3.46Å; Q220-K224 VanDerWaalsContact O-N 3.07Å; R221-K224 PolarHBondContact O-N 2.85Å; L222-K224 VanDerWaalsContact C-N 3.31Å; L222-K224 PolarHBondContact O-N 3.14Å; K224-K226 PolarHBondContact O-N 3.27Å; K224-E227 WeakPolarHBondContact CE-OE2 3.22Å; K224-E227 IonicContact NZ-OE2 3.43Å; K224-E227 PolarHBondContact NZ-OE2 3.34Å; K224-E227 WeakPolarHBondContact O-CB 3.5Å; K224-E227 PolarHBondContact O-N 2.9Å; K224-L228 HydrophobicContact CD-CD1 4.28Å; K224-L228 HydrophobicContact CD-CG 4.16Å; K224-L228 HydrophobicContact CG-CD1 4.02Å; K224-L228 HydrophobicContact CG-CG 4.34Å; K224-L228 VanDerWaalsContact O-CG 3.26Å; K224-L228 WeakPolarHBondContact O-CG 3.41Å; K224-L228 PolarHBondContact O-N 3.13Å
225A98.7Very high97.7Very high0 Ų049.6 Ų49.60%025%0.245CC..Hα-helixtrans-58.3-38.4176.100000111.8T193 F198 A214 R221 L222 E223 L228 G229 A230T193-A225 HydrophobicContact CG2-CB 4.08Å; F198-A225 HydrophobicContact CD1-CB 4.31Å; F198-A225 HydrophobicContact CE1-CB 3.85Å; A214-A225 HydrophobicContact CB-CB 3.55Å; R221-A225 WeakPolarHBondContact O-CB 3.28Å; R221-A225 PolarHBondContact O-N 3.39Å; L222-A225 VanDerWaalsContact O-CB 3.31Å; L222-A225 WeakPolarHBondContact O-CB 3.23Å; L222-A225 PolarHBondContact O-N 3.09Å; E223-A225 VanDerWaalsContact C-N 3.35Å; E223-A225 PolarHBondContact O-N 3.32Å; A225-L228 PolarHBondContact O-N 2.89Å; A225-G229 PolarHBondContact O-N 3.2Å; A225-A230 HydrophobicContact CB-CB 4.07Å; A225-A230 VanDerWaalsContact O-CB 3.3Å; A225-A230 WeakPolarHBondContact O-CB 3.44Å; A225-A230 PolarHBondContact O-N 3.07Å
226K98.3Very high97.6Very high118 Ų11851.2 Ų51.251%0.51326%0.256SS..Hα-helixtrans-64.3-45.4176.2-170.9178.4-179.2179.90111.9L222 E223 K224 L228 G229 I233L222-K226 PolarHBondContact O-N 2.84Å; E223-K226 WeakPolarHBondContact O-CB 3.46Å; E223-K226 PolarHBondContact O-N 3.18Å; K224-K226 PolarHBondContact O-N 3.27Å; K226-L228 PolarHBondContact O-N 2.91Å; K226-G229 PolarHBondContact O-N 3.11Å; K226-I233 HydrophobicContact CB-CG2 4.05Å; K226-I233 HydrophobicContact CD-CD1 4.4Å
227E98.1Very high97.5Very high119 Ų11957.5 Ų57.556%0.55628%0.283SS*.Hα-helixtrans-58.5-37.4173.4-66.5174.6-169.400111.9E223 K224E223-E227 PolarHBondContact O-N 3.41Å; E223-E227 VanDerWaalsContact O-N 3.12Å; K224-E227 WeakPolarHBondContact CE-OE2 3.22Å; K224-E227 IonicContact NZ-OE2 3.43Å; K224-E227 PolarHBondContact NZ-OE2 3.34Å; K224-E227 WeakPolarHBondContact O-CB 3.5Å; K224-E227 PolarHBondContact O-N 2.9Å
228L98.6Very high97.2Very high1 Ų159.6 Ų59.61%0.00529%0.291CS..Hα-helixtrans-79.5-15-178.8-65.5177.7000114.4F198 M202 K224 A225 K226 P332 F336F198-L228 HydrophobicContact CB-CD1 3.76Å; F198-L228 HydrophobicContact CD1-CD1 3.81Å; F198-L228 HydrophobicContact CD2-CD1 3.69Å; F198-L228 HydrophobicContact CE1-CD1 4.26Å; F198-L228 HydrophobicContact CE2-CD1 4.19Å; F198-L228 HydrophobicContact CG-CD1 3.5Å; F198-L228 HydrophobicContact CZ-CD1 4.47Å; M202-L228 HydrophobicContact CG-CB 3.88Å; M202-L228 HydrophobicContact CG-CD2 4.36Å; M202-L228 HydrophobicContact SD-CD2 3.89Å; K224-L228 HydrophobicContact CD-CD1 4.28Å; K224-L228 HydrophobicContact CD-CG 4.16Å; K224-L228 HydrophobicContact CG-CD1 4.02Å; K224-L228 HydrophobicContact CG-CG 4.34Å; K224-L228 VanDerWaalsContact O-CG 3.26Å; K224-L228 WeakPolarHBondContact O-CG 3.41Å; K224-L228 PolarHBondContact O-N 3.13Å; A225-L228 PolarHBondContact O-N 2.89Å; K226-L228 PolarHBondContact O-N 2.91Å; L228-P332 HydrophobicContact CD2-CG 3.81Å; L228-F336 HydrophobicContact CD1-CD1 3.83Å; L228-F336 HydrophobicContact CD1-CE1 3.8Å; L228-F336 HydrophobicContact CD2-CD1 4.47Å; L228-F336 HydrophobicContact CD2-CE1 4.42Å
229G98.4Very high97.1Very high14 Ų1462.4 Ų62.414%0.14431%0.306CS..THydrogen-bonded Turntrans138.7-6.1175.500000117.4A225 K226 S231A225-G229 PolarHBondContact O-N 3.2Å; K226-G229 PolarHBondContact O-N 3.11Å; G229-S231 PolarHBondContact O-N 2.97Å
230A98.8Very high97.1Very high5 Ų561.2 Ų61.24%0.04130%0.3CS..  trans-62.812617500000109.6V201 I212 A214 A225 I233V201-A230 HydrophobicContact CG1-CB 4.04Å; I212-A230 CarbonylContact O-C 3.54Å; A214-A230 HydrophobicContact CB-CB 3.72Å; A225-A230 HydrophobicContact CB-CB 4.07Å; A225-A230 VanDerWaalsContact O-CB 3.3Å; A225-A230 WeakPolarHBondContact O-CB 3.44Å; A225-A230 PolarHBondContact O-N 3.07Å; A230-I233 HydrophobicContact CB-CG2 4.13Å
231S98.7Very high97.2Very high49 Ų4954 Ų5434%0.34327%0.267SS..SBendtrans-81.3-24175.460.80000112.1I212 G229I212-S231 PolarHBondContact N-OG 3.28Å; I212-S231 PolarHBondContact O-N 2.78Å; I212-S231 PolarHBondContact O-OG 2.9Å; G229-S231 PolarHBondContact O-N 2.97Å
232H98.7Very high97.2Very high48 Ų4853.9 Ų53.922%0.22227%0.269CS..EExtended strand (participates in β ladder)trans-135.9143.7177.7-55.668000109.1I212 V213 A214 F244 L248I212-H232 PolarHBondContact O-N 3.24Å; V213-H232 WeakPolarHBondContact CA-O 3.32Å; V213-H232 HydrophobicContact CG2-CB 4.19Å; A214-H232 PolarHBondContact N-O 3.14Å; H232-F244 HydrophobicContact CB-CZ 4.27Å; H232-L248 HydrophobicContact CB-CD2 4.45Å; H232-L248 WeakPolarHBondContact NE2-CD1 3.38Å
233I98.5Very high97.2Very high46 Ų4658.6 Ų58.624%0.23629%0.29CS..EExtended strand (participates in β ladder)trans-129.9146.8177.460.7172.3000109.4A214 L222 E223 K226 A230A214-I233 HydrophobicContact CB-CG2 4.35Å; A214-I233 CarbonylContact O-C 3.52Å; A214-I233 WeakPolarHBondContact O-CA 3.27Å; L222-I233 HydrophobicContact CB-CB 4.13Å; L222-I233 HydrophobicContact CB-CD1 4.12Å; L222-I233 HydrophobicContact CD2-CB 4.22Å; L222-I233 WeakPolarHBondContact O-CG2 3.13Å; E223-I233 VanDerWaalsContact OE1-CD1 3.27Å; E223-I233 WeakPolarHBondContact OE1-CD1 3.36Å; K226-I233 HydrophobicContact CB-CG2 4.05Å; K226-I233 HydrophobicContact CD-CD1 4.4Å; A230-I233 HydrophobicContact CB-CG2 4.13Å
234F98.3Very high97.2Very high25 Ų2556.5 Ų56.511%0.1128%0.28CS..EExtended strand (participates in β ladder)trans-149.6129.3-178-175.2-91.9000112.4A214 I215 D216 L222 N239 P241 F244A214-F234 PolarHBondContact O-N 3.43Å; I215-F234 WeakPolarHBondContact CA-O 3.38Å; I215-F234 HydrophobicContact CG1-CB 4.18Å; D216-F234 PolarHBondContact N-O 3.19Å; L222-F234 WeakPolarHBondContact CD1-O 3.42Å; F234-N239 VanDerWaalsContact CE1-O 3.31Å; F234-N239 WeakPolarHBondContact CE1-O 3.32Å; F234-N239 HydrophobicContact CE2-CB 4.26Å; F234-N239 HydrophobicContact CZ-CB 3.64Å; F234-P241 HydrophobicContact CD1-CB 3.97Å; F234-P241 VanDerWaalsContact CE1-CA 3.43Å; F234-P241 HydrophobicContact CE1-CB 3.86Å; F234-F244 HydrophobicContact CB-CD1 3.88Å; F234-F244 HydrophobicContact CB-CE1 3.89Å; F234-F244 HydrophobicContact CB-CG 4.39Å; F234-F244 HydrophobicContact CB-CZ 4.4Å; F234-F244 HydrophobicContact CD2-CB 3.75Å; F234-F244 AromaticContact CD2-CD1 3.74Å; F234-F244 HydrophobicContact CD2-CD1 3.74Å; F234-F244 AromaticContact CD2-CD2 3.52Å; F234-F244 HydrophobicContact CD2-CD2 3.52Å; F234-F244 HydrophobicContact CD2-CE1 4.23Å; F234-F244 HydrophobicContact CD2-CE2 4.02Å; F234-F244 AromaticContact CD2-CG 3.35Å; F234-F244 HydrophobicContact CD2-CG 3.35Å; F234-F244 HydrophobicContact CD2-CZ 4.35Å; F234-F244 HydrophobicContact CE1-CB 4.39Å; F234-F244 HydrophobicContact CE2-CB 3.5Å; F234-F244 HydrophobicContact CE2-CD1 4.4Å; F234-F244 AromaticContact CE2-CD2 3.79Å; F234-F244 HydrophobicContact CE2-CD2 3.79Å; F234-F244 AromaticContact CE2-CG 3.63Å; F234-F244 HydrophobicContact CE2-CG 3.63Å; F234-F244 HydrophobicContact CG-CB 4.26Å; F234-F244 AromaticContact CG-CD1 3.84Å; F234-F244 HydrophobicContact CG-CD1 3.84Å; F234-F244 HydrophobicContact CG-CD2 4.43Å; F234-F244 HydrophobicContact CG-CE1 4.3Å; F234-F244 AromaticContact CG-CG 3.9Å; F234-F244 HydrophobicContact CG-CG 3.9Å; F234-F244 HydrophobicContact CZ-CB 3.82Å; F234-F244 HydrophobicContact CZ-CG 4.37Å
235N98.1Very high97.3Very high11 Ų1154.1 Ų54.16%0.05927%0.27CS..EExtended strand (participates in β ladder)trans-89.9109.1175.1-169.8-31.1000110.9D216 I217 D219 L222 K237 E238D216-N235 CarbonylContact O-C 3.59Å; D216-N235 WeakPolarHBondContact O-CA 3.48Å; I217-N235 WeakPolarHBondContact CA-OD1 3.28Å; I217-N235 PolarHBondContact O-ND2 2.76Å; D219-N235 PolarHBondContact OD1-ND2 2.99Å; L222-N235 HydrophobicContact CD1-CB 3.82Å; N235-K237 PolarHBondContact O-N 2.83Å; N235-K237 VanDerWaalsContact O-N 3.14Å; N235-K237 WeakPolarHBondContact OD1-CB 3.37Å; N235-K237 PolarHBondContact OD1-N 2.89Å; N235-E238 HydrophobicContact CB-CG 4.09Å; N235-E238 PolarHBondContact O-N 3.03Å
236S96.7Very high97.3Very high36 Ų3656 Ų5625%0.25228%0.279SS..THydrogen-bonded Turntrans-70.4-3-177.856.80000115.3D216 I217D216-S236 PolarHBondContact O-N 3.12Å; D216-S236 PolarHBondContact O-OG 3.44Å; I217-S236 VanDerWaalsContact CG2-OG 3.29Å; I217-S236 WeakPolarHBondContact CG2-OG 3.33Å
237K94.7Very high97.3Very high149 Ų14955.5 Ų55.565%0.64828%0.282SS*.THydrogen-bonded Turntrans-79.2-26167.2-75.3175.1170.9162.60112.9I217 N235I217-K237 HydrophobicContact CB-CD 3.98Å; I217-K237 HydrophobicContact CB-CG 3.94Å; I217-K237 HydrophobicContact CG2-CD 4.43Å; I217-K237 HydrophobicContact CG2-CG 3.86Å; N235-K237 PolarHBondContact O-N 2.83Å; N235-K237 VanDerWaalsContact O-N 3.14Å; N235-K237 WeakPolarHBondContact OD1-CB 3.37Å; N235-K237 PolarHBondContact OD1-N 2.89Å
238E90.3Very high97.3Very high130 Ų13052.6 Ų52.661%0.60727%0.27SS*.THydrogen-bonded Turntrans-83.2-45.6-172.6-60.3-174.2162.800111.5N235N235-E238 HydrophobicContact CB-CG 4.09Å; N235-E238 PolarHBondContact O-N 3.03Å
239N91.9Very high97.2Very high112 Ų11252.9 Ų52.960%0.59927%0.272SS*.SBendtrans-150175.2-175.7-72-66000111.1F234 P241F234-N239 VanDerWaalsContact CE1-O 3.31Å; F234-N239 WeakPolarHBondContact CE1-O 3.32Å; F234-N239 HydrophobicContact CE2-CB 4.26Å; F234-N239 HydrophobicContact CZ-CB 3.64Å; N239-P241 WeakPolarHBondContact O-CD 3.39Å
240D96.4Very high97.2Very high61 Ų6158.2 Ų58.233%0.32630%0.297SS..  trans-72.7116.4179.9-170.7-4.4000111.6E242 Q243 F244 K269D240-E242 PolarHBondContact O-N 3.35Å; D240-E242 WeakPolarHBondContact OD1-CB 3.09Å; D240-E242 PolarHBondContact OD1-N 2.9Å; D240-E242 VanDerWaalsContact OD1-N 3.08Å; D240-Q243 HydrophobicContact CB-CB 4.14Å; D240-Q243 PolarHBondContact O-N 3.1Å; D240-F244 PolarHBondContact O-N 3.49Å; D240-K269 IonicContact OD1-NZ 3.83Å; D240-K269 PolarHBondContact OD1-NZ 3.3Å; D240-K269 IonicContact OD2-NZ 2.91Å; D240-K269 PolarHBondContact OD2-NZ 2.92Å
241P97.3Very high97.1Very high13 Ų1360.5 Ų60.58%0.08432%0.321CS..Hα-helixtrans-63.5-28.2178.925-34.6000113.6F191 I215 F234 N239 I245F191-P241 HydrophobicContact CE1-CB 3.83Å; F191-P241 HydrophobicContact CE1-CG 3.91Å; F191-P241 HydrophobicContact CZ-CB 4.27Å; I215-P241 HydrophobicContact CD1-CB 3.89Å; I215-P241 HydrophobicContact CG1-CB 4.42Å; I215-P241 HydrophobicContact CG2-CB 3.99Å; F234-P241 HydrophobicContact CD1-CB 3.97Å; F234-P241 VanDerWaalsContact CE1-CA 3.43Å; F234-P241 HydrophobicContact CE1-CB 3.86Å; N239-P241 WeakPolarHBondContact O-CD 3.39Å; P241-I245 WeakPolarHBondContact O-CG1 3.25Å; P241-I245 PolarHBondContact O-N 2.71Å; P241-I245 VanDerWaalsContact O-N 3.1Å
242E97.5Very high97Very high44 Ų4465.5 Ų65.521%0.20633%0.332CS..Hα-helixtrans-64.6-50.1176.1-179.5-171.4166.100110.2D240 F244 I245 M246 K269 H272D240-E242 PolarHBondContact O-N 3.35Å; D240-E242 WeakPolarHBondContact OD1-CB 3.09Å; D240-E242 PolarHBondContact OD1-N 2.9Å; D240-E242 VanDerWaalsContact OD1-N 3.08Å; E242-F244 VanDerWaalsContact C-N 3.3Å; E242-F244 PolarHBondContact O-N 2.93Å; E242-I245 PolarHBondContact O-N 2.97Å; E242-I245 VanDerWaalsContact O-N 3.13Å; E242-M246 HydrophobicContact CG-CE 4.27Å; E242-M246 HydrophobicContact CG-CG 4.5Å; E242-M246 VanDerWaalsContact O-CG 3.31Å; E242-M246 WeakPolarHBondContact O-CG 3.44Å; E242-M246 PolarHBondContact O-N 3.41Å; E242-K269 HydrophobicContact CB-CD 3.91Å; E242-K269 WeakPolarHBondContact OE2-CD 3.49Å; E242-K269 IonicContact OE2-NZ 2.89Å; E242-K269 PolarHBondContact OE2-NZ 3.29Å; E242-H272 HydrophobicContact CG-CB 4.3Å
243Q98Very high97Very high103 Ų10363.6 Ų63.648%0.48133%0.325SS..Hα-helixtrans-59.8-42.1179.1-172.861.956.300111.4D240 I245 M246 D247D240-Q243 HydrophobicContact CB-CB 4.14Å; D240-Q243 PolarHBondContact O-N 3.1Å; Q243-I245 VanDerWaalsContact C-N 3.35Å; Q243-I245 PolarHBondContact O-N 2.66Å; Q243-M246 PolarHBondContact O-N 3.46Å; Q243-D247 PolarHBondContact NE2-OD1 3.46Å; Q243-D247 WeakPolarHBondContact O-CB 3.34Å; Q243-D247 VanDerWaalsContact O-CG 3.24Å; Q243-D247 PolarHBondContact O-N 3.1Å
244F98.3Very high97Very high53 Ų5361.5 Ų61.523%0.23232%0.315CS..Hα-helixtrans-57.7-46175.2171.8-103.1000112.5V213 H232 F234 D240 E242 D247 L248V213-F244 HydrophobicContact CG1-CD1 4.37Å; V213-F244 HydrophobicContact CG1-CE1 3.81Å; H232-F244 HydrophobicContact CB-CZ 4.27Å; F234-F244 HydrophobicContact CB-CD1 3.88Å; F234-F244 HydrophobicContact CB-CE1 3.89Å; F234-F244 HydrophobicContact CB-CG 4.39Å; F234-F244 HydrophobicContact CB-CZ 4.4Å; F234-F244 HydrophobicContact CD2-CB 3.75Å; F234-F244 AromaticContact CD2-CD1 3.74Å; F234-F244 HydrophobicContact CD2-CD1 3.74Å; F234-F244 AromaticContact CD2-CD2 3.52Å; F234-F244 HydrophobicContact CD2-CD2 3.52Å; F234-F244 HydrophobicContact CD2-CE1 4.23Å; F234-F244 HydrophobicContact CD2-CE2 4.02Å; F234-F244 AromaticContact CD2-CG 3.35Å; F234-F244 HydrophobicContact CD2-CG 3.35Å; F234-F244 HydrophobicContact CD2-CZ 4.35Å; F234-F244 HydrophobicContact CE1-CB 4.39Å; F234-F244 HydrophobicContact CE2-CB 3.5Å; F234-F244 HydrophobicContact CE2-CD1 4.4Å; F234-F244 AromaticContact CE2-CD2 3.79Å; F234-F244 HydrophobicContact CE2-CD2 3.79Å; F234-F244 AromaticContact CE2-CG 3.63Å; F234-F244 HydrophobicContact CE2-CG 3.63Å; F234-F244 HydrophobicContact CG-CB 4.26Å; F234-F244 AromaticContact CG-CD1 3.84Å; F234-F244 HydrophobicContact CG-CD1 3.84Å; F234-F244 HydrophobicContact CG-CD2 4.43Å; F234-F244 HydrophobicContact CG-CE1 4.3Å; F234-F244 AromaticContact CG-CG 3.9Å; F234-F244 HydrophobicContact CG-CG 3.9Å; F234-F244 HydrophobicContact CZ-CB 3.82Å; F234-F244 HydrophobicContact CZ-CG 4.37Å; D240-F244 PolarHBondContact O-N 3.49Å; E242-F244 VanDerWaalsContact C-N 3.3Å; E242-F244 PolarHBondContact O-N 2.93Å; F244-D247 PolarHBondContact O-N 2.66Å; F244-L248 HydrophobicContact CE1-CD2 4.39Å; F244-L248 HydrophobicContact CZ-CD2 4.5Å; F244-L248 WeakPolarHBondContact O-CB 3.17Å; F244-L248 PolarHBondContact O-N 3.4Å
245I98.5Very high97.1Very high0 Ų063 Ų630%032%0.324CS..Hα-helixtrans-65.1-41.5177.2-73.4170.3000110.8A189 F191 V213 I215 P241 E242 Q243 L248 T249 L254A189-I245 HydrophobicContact CB-CD1 3.81Å; F191-I245 HydrophobicContact CE2-CD1 4.02Å; F191-I245 HydrophobicContact CZ-CD1 3.94Å; V213-I245 HydrophobicContact CG1-CG1 4.41Å; I215-I245 HydrophobicContact CD1-CD1 3.66Å; I215-I245 HydrophobicContact CD1-CG1 4.38Å; P241-I245 WeakPolarHBondContact O-CG1 3.25Å; P241-I245 PolarHBondContact O-N 2.71Å; P241-I245 VanDerWaalsContact O-N 3.1Å; E242-I245 PolarHBondContact O-N 2.97Å; E242-I245 VanDerWaalsContact O-N 3.13Å; Q243-I245 VanDerWaalsContact C-N 3.35Å; Q243-I245 PolarHBondContact O-N 2.66Å; I245-L248 PolarHBondContact O-N 2.97Å; I245-T249 HydrophobicContact CG2-CG2 4.47Å; I245-T249 WeakPolarHBondContact O-CB 3.31Å; I245-T249 WeakPolarHBondContact O-CG2 3.2Å; I245-T249 PolarHBondContact O-N 2.97Å; I245-T249 VanDerWaalsContact O-N 3.08Å; I245-T249 PolarHBondContact O-OG1 3.06Å; I245-L254 HydrophobicContact CD1-CD1 4Å; I245-L254 HydrophobicContact CG1-CD1 4.07Å; I245-L254 HydrophobicContact CG2-CD1 3.76Å; I245-L254 HydrophobicContact CG2-CG 3.8Å
246M98.3Very high97.1Very high38 Ų3863.8 Ų63.819%0.18733%0.326CS..Hα-helixtrans-61.6-46.2177.1-66.5-57.3173.700111E242 Q243 L248 T249 D250 G251 H272E242-M246 HydrophobicContact CG-CE 4.27Å; E242-M246 HydrophobicContact CG-CG 4.5Å; E242-M246 VanDerWaalsContact O-CG 3.31Å; E242-M246 WeakPolarHBondContact O-CG 3.44Å; E242-M246 PolarHBondContact O-N 3.41Å; Q243-M246 PolarHBondContact O-N 3.46Å; M246-L248 PolarHBondContact O-N 2.79Å; M246-T249 CarbonylContact O-C 3.56Å; M246-T249 PolarHBondContact O-N 3.34Å; M246-T249 VanDerWaalsContact O-N 3.14Å; M246-T249 PolarHBondContact O-OG1 3Å; M246-D250 PolarHBondContact O-N 2.83Å; M246-D250 VanDerWaalsContact O-N 3.1Å; M246-G251 PolarHBondContact O-N 3.36Å; M246-H272 WeakPolarHBondContact CE-O 3.27Å
247D98.2Very high97.2Very high109 Ų10962.1 Ų62.158%0.58331%0.314SS*.Hα-helixtrans-63.2-41.9178.2-66.7-17000111.8Q243 F244 T249Q243-D247 PolarHBondContact NE2-OD1 3.46Å; Q243-D247 WeakPolarHBondContact O-CB 3.34Å; Q243-D247 VanDerWaalsContact O-CG 3.24Å; Q243-D247 PolarHBondContact O-N 3.1Å; F244-D247 PolarHBondContact O-N 2.66Å; D247-T249 PolarHBondContact O-N 2.84Å
248L98.1Very high97.4Very high57 Ų5755 Ų5530%0.29828%0.283SS..Hα-helixtrans-62.9-25.8176.8-18061.6000113P211 V213 H232 F244 I245 M246P211-L248 HydrophobicContact CB-CD2 4.18Å; P211-L248 HydrophobicContact CG-CD2 4.04Å; P211-L248 HydrophobicContact CG-CG 4.48Å; V213-L248 HydrophobicContact CG2-CD2 3.63Å; H232-L248 HydrophobicContact CB-CD2 4.45Å; H232-L248 WeakPolarHBondContact NE2-CD1 3.38Å; F244-L248 HydrophobicContact CE1-CD2 4.39Å; F244-L248 HydrophobicContact CZ-CD2 4.5Å; F244-L248 WeakPolarHBondContact O-CB 3.17Å; F244-L248 PolarHBondContact O-N 3.4Å; I245-L248 PolarHBondContact O-N 2.97Å; M246-L248 PolarHBondContact O-N 2.79Å
249T98.2Very high97.8Very high8 Ų848.8 Ų48.85%0.04925%0.254CS..THydrogen-bonded Turntrans-115.816-171.261.40000113.5I245 M246 D247 G251 R252 G253 L254I245-T249 HydrophobicContact CG2-CG2 4.47Å; I245-T249 WeakPolarHBondContact O-CB 3.31Å; I245-T249 WeakPolarHBondContact O-CG2 3.2Å; I245-T249 PolarHBondContact O-N 2.97Å; I245-T249 VanDerWaalsContact O-N 3.08Å; I245-T249 PolarHBondContact O-OG1 3.06Å; M246-T249 CarbonylContact O-C 3.56Å; M246-T249 PolarHBondContact O-N 3.34Å; M246-T249 VanDerWaalsContact O-N 3.14Å; M246-T249 PolarHBondContact O-OG1 3Å; D247-T249 PolarHBondContact O-N 2.84Å; T249-G251 PolarHBondContact O-N 3.28Å; T249-R252 VanDerWaalsContact O-CB 3.26Å; T249-R252 WeakPolarHBondContact O-CB 3.3Å; T249-R252 VanDerWaalsContact O-CG 3.31Å; T249-R252 WeakPolarHBondContact O-CG 3.45Å; T249-R252 PolarHBondContact O-N 2.96Å; T249-R252 PolarHBondContact O-NE 2.93Å; T249-R252 PolarHBondContact O-NH2 3.46Å; T249-G253 WeakPolarHBondContact OG1-CA 3.41Å; T249-G253 PolarHBondContact OG1-N 2.88Å; T249-L254 HydrophobicContact CG2-CD2 3.79Å; T249-L254 HydrophobicContact CG2-CG 4.18Å
250D97.4Very high98.1Very high126 Ų12644.7 Ų44.767%0.67424%0.235SC*.THydrogen-bonded Turntrans5239.3-175-42.6-65000113.1M246 R252M246-D250 PolarHBondContact O-N 2.83Å; M246-D250 VanDerWaalsContact O-N 3.1Å; D250-R252 VanDerWaalsContact C-N 3.33Å; D250-R252 PolarHBondContact O-N 2.85Å; D250-R252 IonicContact OD2-CZ 2.77Å; D250-R252 IonicContact OD2-NH1 3.33Å; D250-R252 PolarHBondContact OD2-NH1 2.98Å; D250-R252 IonicContact OD2-NH2 3.52Å; D250-R252 PolarHBondContact OD2-NH2 2.81Å
251G97.4Very high98Very high52 Ų5244.3 Ų44.354%0.53623%0.234SC..THydrogen-bonded Turntrans77.89.4-179.300000115M246 T249M246-G251 PolarHBondContact O-N 3.36Å; T249-G251 PolarHBondContact O-N 3.28Å
252R97.3Very high97.9Very high154 Ų15444 Ų4458%0.58123%0.233SC*.  trans-82.3-30.4-178-65.9-174.9-68-86.7-4.9113.9T249 D250 S275T249-R252 VanDerWaalsContact O-CB 3.26Å; T249-R252 WeakPolarHBondContact O-CB 3.3Å; T249-R252 VanDerWaalsContact O-CG 3.31Å; T249-R252 WeakPolarHBondContact O-CG 3.45Å; T249-R252 PolarHBondContact O-N 2.96Å; T249-R252 PolarHBondContact O-NE 2.93Å; T249-R252 PolarHBondContact O-NH2 3.46Å; D250-R252 VanDerWaalsContact C-N 3.33Å; D250-R252 PolarHBondContact O-N 2.85Å; D250-R252 IonicContact OD2-CZ 2.77Å; D250-R252 IonicContact OD2-NH1 3.33Å; D250-R252 PolarHBondContact OD2-NH1 2.98Å; D250-R252 IonicContact OD2-NH2 3.52Å; D250-R252 PolarHBondContact OD2-NH2 2.81Å; R252-S275 WeakPolarHBondContact O-CA 3.5Å; R252-S275 WeakPolarHBondContact O-CB 3.19Å
253G98.3Very high97.8Very high8 Ų845.1 Ų45.18%0.08224%0.243CC..  trans77.7-176.6-165.100000112.6T249 S273T249-G253 WeakPolarHBondContact OG1-CA 3.41Å; T249-G253 PolarHBondContact OG1-N 2.88Å; G253-S273 WeakPolarHBondContact CA-O 3.47Å
254L98.8Very high97.6Very high2 Ų241 Ų411%0.0123%0.228CC..EExtended strand (participates in β ladder)trans-106.7147.2-179-66.4163.8000112A189 P211 V213 I245 T249 Y256 V257 S273 V274 S275A189-L254 HydrophobicContact CB-CD1 3.45Å; A189-L254 VanDerWaalsContact CB-CD1 3.45Å; P211-L254 HydrophobicContact CG-CD2 3.7Å; V213-L254 HydrophobicContact CB-CD1 4.33Å; V213-L254 HydrophobicContact CG2-CD1 3.95Å; I245-L254 HydrophobicContact CD1-CD1 4Å; I245-L254 HydrophobicContact CG1-CD1 4.07Å; I245-L254 HydrophobicContact CG2-CD1 3.76Å; I245-L254 HydrophobicContact CG2-CG 3.8Å; T249-L254 HydrophobicContact CG2-CD2 3.79Å; T249-L254 HydrophobicContact CG2-CG 4.18Å; L254-Y256 PolarHBondContact O-N 2.73Å; L254-V257 HydrophobicContact CB-CG2 4.39Å; L254-S273 PolarHBondContact N-O 3.08Å; L254-V274 CarbonylContact O-C 3.58Å; L254-V274 WeakPolarHBondContact O-CA 3.43Å; L254-S275 PolarHBondContact O-N 3.39Å; L254-S275 PolarHBondContact O-OG 3.41Å
255D98.8Very high97.4Very high56 Ų5643.2 Ų43.230%0.29925%0.248SC..EExtended strand (participates in β ladder)trans-58-35.4-179.8-56.4-71000112.1E186 G187 G278 T279E186-D255 WeakPolarHBondContact CA-OD2 2.98Å; E186-D255 HydrophobicContact CB-CB 4.15Å; G187-D255 PolarHBondContact N-OD2 2.78Å; G187-D255 PolarHBondContact O-N 3.48Å; D255-G278 CarbonylContact O-C 3.18Å; D255-G278 WeakPolarHBondContact O-CA 3.32Å; D255-T279 PolarHBondContact O-N 2.59Å
256Y98.9Very high97.3Very high29 Ų2945 Ų4511%0.11426%0.259CS..EExtended strand (participates in β ladder)trans-133.6140.4-179.6-49.4-70.1000111.9L180 P182 E186 G187 I188 A189 L254 T279L180-Y256 HydrophobicContact CB-CD1 4.08Å; L180-Y256 HydrophobicContact CB-CE1 4.18Å; L180-Y256 HydrophobicContact CB-CG 4.49Å; L180-Y256 HydrophobicContact CD1-CD1 3.99Å; L180-Y256 HydrophobicContact CD1-CG 3.98Å; L180-Y256 HydrophobicContact CD2-CD1 3.52Å; L180-Y256 HydrophobicContact CD2-CE1 3.99Å; L180-Y256 HydrophobicContact CD2-CG 4.36Å; L180-Y256 HydrophobicContact CG-CD1 4.05Å; P182-Y256 HydrophobicContact CB-CD2 4.04Å; P182-Y256 HydrophobicContact CB-CE2 3.49Å; P182-Y256 VanDerWaalsContact CB-CE2 3.49Å; E186-Y256 HydrophobicContact CB-CE2 3.87Å; E186-Y256 VanDerWaalsContact OE2-CE2 3.23Å; E186-Y256 WeakPolarHBondContact OE2-CE2 3.47Å; E186-Y256 PolarHBondContact OE2-OH 2.86Å; G187-Y256 PolarHBondContact O-N 3.01Å; G187-Y256 VanDerWaalsContact O-N 3.13Å; I188-Y256 CarbonylContact C-O 3.54Å; I188-Y256 VanDerWaalsContact CA-O 3.24Å; I188-Y256 WeakPolarHBondContact CA-O 3.49Å; A189-Y256 PolarHBondContact N-O 3.14Å; L254-Y256 PolarHBondContact O-N 2.73Å; Y256-T279 WeakPolarHBondContact CA-O 3.48Å
257V98.9Very high97.3Very high0 Ų043.6 Ų43.60%025%0.252CS..EExtended strand (participates in β ladder)trans-135.1125.7169.5-176.70000109.3A189 F191 L254 S270 V274 T279 F280 V281A189-V257 HydrophobicContact CB-CG1 4.22Å; A189-V257 HydrophobicContact CB-CG2 4.27Å; A189-V257 CarbonylContact O-C 3.59Å; A189-V257 WeakPolarHBondContact O-CA 3.4Å; F191-V257 HydrophobicContact CD2-CG1 3.55Å; F191-V257 HydrophobicContact CE2-CG1 3.42Å; F191-V257 VanDerWaalsContact CE2-CG1 3.42Å; L254-V257 HydrophobicContact CB-CG2 4.39Å; V257-S270 WeakPolarHBondContact CG1-O 3.45Å; V257-V274 HydrophobicContact CB-CG2 3.67Å; V257-V274 HydrophobicContact CG2-CB 4.33Å; V257-V274 HydrophobicContact CG2-CG2 3.5Å; V257-V274 VanDerWaalsContact CG2-CG2 3.5Å; V257-T279 PolarHBondContact N-O 2.87Å; V257-F280 HydrophobicContact CB-CD2 4.4Å; V257-F280 HydrophobicContact CG1-CD2 4.45Å; V257-F280 CarbonylContact O-C 3.13Å; V257-F280 WeakPolarHBondContact O-CA 3.16Å; V257-F280 WeakPolarHBondContact O-CD2 3.43Å; V257-V281 PolarHBondContact O-N 2.94Å
258I98.9Very high97.2Very high0 Ų040.8 Ų40.80%024%0.239CC..EExtended strand (participates in β ladder)trans-106129.2175.4-66.5173.2000108.6A175 V176 L180 I188 A189 V190 F191 A200 V281 L283A175-I258 HydrophobicContact CB-CD1 4.43Å; V176-I258 HydrophobicContact CG2-CD1 3.66Å; L180-I258 HydrophobicContact CD1-CD1 4.09Å; L180-I258 HydrophobicContact CD1-CG1 4.22Å; I188-I258 HydrophobicContact CD1-CD1 3.87Å; I188-I258 HydrophobicContact CD1-CG1 4.34Å; A189-I258 PolarHBondContact O-N 2.88Å; V190-I258 WeakPolarHBondContact CA-O 3.43Å; F191-I258 PolarHBondContact N-O 2.89Å; A200-I258 HydrophobicContact CB-CD1 3.83Å; I258-V281 WeakPolarHBondContact CA-O 3.01Å; I258-V281 HydrophobicContact CG1-CB 4.12Å; I258-L283 HydrophobicContact CG2-CD1 3.49Å; I258-L283 VanDerWaalsContact CG2-CD1 3.49Å; I258-L283 HydrophobicContact CG2-CG 3.98Å
259D98.4Very high97.2Very high0 Ų041.2 Ų41.20%024%0.238CC..EExtended strand (participates in β ladder)trans-103.8124.7164.8176.3-96.7000110.5T261 G262 M267 F280 V281 L283D259-T261 PolarHBondContact OD1-N 2.97Å; D259-T261 PolarHBondContact OD1-OG1 2.86Å; D259-T261 WeakPolarHBondContact OD2-CB 3.44Å; D259-T261 WeakPolarHBondContact OD2-CG2 3.42Å; D259-T261 PolarHBondContact OD2-N 2.85Å; D259-T261 PolarHBondContact OD2-OG1 3.24Å; D259-G262 PolarHBondContact OD1-N 3.22Å; D259-M267 HydrophobicContact CB-CG 4.1Å; D259-M267 WeakPolarHBondContact OD1-CG 3.35Å; D259-F280 HydrophobicContact CB-CE2 3.72Å; D259-F280 HydrophobicContact CB-CZ 3.93Å; D259-V281 PolarHBondContact N-O 3.13Å; D259-L283 PolarHBondContact O-N 3.49Å
260S97.4Very high97.2Very high26 Ų2640.9 Ų40.918%0.18224%0.236CC..  trans-117.415.5171.771.40000112.5F191 G192F191-S260 PolarHBondContact O-N 3.21Å; F191-S260 PolarHBondContact O-OG 3.26Å; G192-S260 PolarHBondContact O-OG 3.29Å
261T95.6Very high97.2Very high52 Ų5234.9 Ų34.932%0.31920%0.204SC..SBendtrans-92.5-35.8179.974.80000113.3F191 D259 V263 V266F191-T261 HydrophobicContact CB-CG2 4.41Å; D259-T261 PolarHBondContact OD1-N 2.97Å; D259-T261 PolarHBondContact OD1-OG1 2.86Å; D259-T261 WeakPolarHBondContact OD2-CB 3.44Å; D259-T261 WeakPolarHBondContact OD2-CG2 3.42Å; D259-T261 PolarHBondContact OD2-N 2.85Å; D259-T261 PolarHBondContact OD2-OG1 3.24Å; T261-V263 PolarHBondContact O-N 3.15Å; T261-V263 PolarHBondContact OG1-N 2.75Å; T261-V266 HydrophobicContact CG2-CG1 4.11Å
262G94.2Very high97.2Very high6 Ų634.9 Ų34.96%0.06219%0.19CC..  trans69.718.8-175.100000113.7D259 T286D259-G262 PolarHBondContact OD1-N 3.22Å; G262-T286 PolarHBondContact O-OG1 3.31Å
263V95.4Very high97.3Very high68 Ų6827.6 Ų27.641%0.41216%0.162SC..  trans-100.5115-178.7177.80000109.4T261 V266 M267T261-V263 PolarHBondContact O-N 3.15Å; T261-V263 PolarHBondContact OG1-N 2.75Å; V263-V266 HydrophobicContact CB-CB 4.06Å; V263-V266 HydrophobicContact CB-CG2 3.85Å; V263-V266 HydrophobicContact CG1-CB 4.34Å; V263-V266 HydrophobicContact CG1-CG2 3.76Å; V263-V266 CarbonylContact O-C 3.55Å; V263-V266 WeakPolarHBondContact O-CA 3.49Å; V263-V266 WeakPolarHBondContact O-CB 3.47Å; V263-V266 PolarHBondContact O-N 3.19Å; V263-M267 PolarHBondContact O-N 3.4Å
264G94.8Very high97.3Very high16 Ų1627.3 Ų27.317%0.16516%0.159CC..Hα-helixtrans-46.5-53.9-174.400000115.8V266 M267 T268G264-V266 VanDerWaalsContact C-N 3.28Å; G264-V266 PolarHBondContact O-N 2.81Å; G264-M267 PolarHBondContact O-N 2.97Å; G264-T268 PolarHBondContact O-N 2.88Å; G264-T268 PolarHBondContact O-OG1 3.45Å
265P94.5Very high97.3Very high100 Ų10027.8 Ų27.865%0.64916%0.163SC*.Hα-helixtrans-59-35.7175.4-28.535.8000114.1T268 K269P265-T268 PolarHBondContact O-N 2.75Å; P265-K269 WeakPolarHBondContact O-CG 3.42Å; P265-K269 PolarHBondContact O-N 3.03Å
266V96.7Very high97.2Very high39 Ų3930.7 Ų30.724%0.23618%0.178CC..Hα-helixtrans-71-46.1177.3-178.70000110.2F191 T261 V263 G264 T268 K269 S270F191-V266 HydrophobicContact CB-CG1 4.12Å; F191-V266 HydrophobicContact CD1-CG1 3.66Å; F191-V266 HydrophobicContact CG-CG1 4.29Å; T261-V266 HydrophobicContact CG2-CG1 4.11Å; V263-V266 HydrophobicContact CB-CB 4.06Å; V263-V266 HydrophobicContact CB-CG2 3.85Å; V263-V266 HydrophobicContact CG1-CB 4.34Å; V263-V266 HydrophobicContact CG1-CG2 3.76Å; V263-V266 CarbonylContact O-C 3.55Å; V263-V266 WeakPolarHBondContact O-CA 3.49Å; V263-V266 WeakPolarHBondContact O-CB 3.47Å; V263-V266 PolarHBondContact O-N 3.19Å; G264-V266 VanDerWaalsContact C-N 3.28Å; G264-V266 PolarHBondContact O-N 2.81Å; V266-T268 PolarHBondContact O-N 2.71Å; V266-K269 CarbonylContact O-C 3.5Å; V266-K269 WeakPolarHBondContact O-CB 3.25Å; V266-K269 PolarHBondContact O-N 3.04Å; V266-K269 VanDerWaalsContact O-N 3.08Å; V266-S270 PolarHBondContact O-N 3.45Å; V266-S270 PolarHBondContact O-OG 2.87Å
267M97.5Very high97.2Very high7 Ų732.6 Ų32.63%0.03420%0.196CC..Hα-helixtrans-56.7-36.7175.1-69.6-172.3-69.300112.4D259 V263 G264 S270 L271 F280 P282 T286 F290D259-M267 HydrophobicContact CB-CG 4.1Å; D259-M267 WeakPolarHBondContact OD1-CG 3.35Å; V263-M267 PolarHBondContact O-N 3.4Å; G264-M267 PolarHBondContact O-N 2.97Å; M267-S270 WeakPolarHBondContact O-CB 3.3Å; M267-S270 PolarHBondContact O-N 3.36Å; M267-L271 PolarHBondContact O-N 2.94Å; M267-F280 HydrophobicContact CB-CZ 4.06Å; M267-F280 HydrophobicContact CG-CZ 4.27Å; M267-P282 HydrophobicContact SD-CB 4.34Å; M267-T286 HydrophobicContact CE-CG2 4.49Å; M267-F290 HydrophobicContact CB-CD2 3.76Å; M267-F290 HydrophobicContact CB-CE2 3.81Å; M267-F290 HydrophobicContact CB-CG 4.29Å; M267-F290 HydrophobicContact CB-CZ 4.33Å; M267-F290 HydrophobicContact CE-CB 3.79Å; M267-F290 HydrophobicContact CE-CD2 4.32Å; M267-F290 HydrophobicContact CE-CG 4.23Å; M267-F290 HydrophobicContact SD-CB 4.34Å; M267-F290 HydrophobicContact SD-CG 4.41Å
268T96.6Very high97.2Very high50 Ų5032.8 Ų32.831%0.30720%0.198SC..Hα-helixtrans-62.6-50.9175.1-53.30000110.7G264 P265 V266 S270 L271 H272G264-T268 PolarHBondContact O-N 2.88Å; G264-T268 PolarHBondContact O-OG1 3.45Å; P265-T268 PolarHBondContact O-N 2.75Å; V266-T268 PolarHBondContact O-N 2.71Å; T268-S270 VanDerWaalsContact C-N 3.29Å; T268-S270 PolarHBondContact O-N 3.31Å; T268-L271 PolarHBondContact O-N 2.82Å; T268-H272 PolarHBondContact O-N 2.92Å
269K97.3Very high97.2Very high67 Ų6733.5 Ų33.529%0.29120%0.203SC..Hα-helixtrans-60.9-37.1175.4-69.4-68.3-177.3174.30112.7D240 E242 P265 V266 H272 S273D240-K269 IonicContact OD1-NZ 3.83Å; D240-K269 PolarHBondContact OD1-NZ 3.3Å; D240-K269 IonicContact OD2-NZ 2.91Å; D240-K269 PolarHBondContact OD2-NZ 2.92Å; E242-K269 HydrophobicContact CB-CD 3.91Å; E242-K269 WeakPolarHBondContact OE2-CD 3.49Å; E242-K269 IonicContact OE2-NZ 2.89Å; E242-K269 PolarHBondContact OE2-NZ 3.29Å; P265-K269 WeakPolarHBondContact O-CG 3.42Å; P265-K269 PolarHBondContact O-N 3.03Å; V266-K269 CarbonylContact O-C 3.5Å; V266-K269 WeakPolarHBondContact O-CB 3.25Å; V266-K269 PolarHBondContact O-N 3.04Å; V266-K269 VanDerWaalsContact O-N 3.08Å; K269-H272 PolarHBondContact O-N 3.04Å; K269-S273 WeakPolarHBondContact O-CB 3.3Å; K269-S273 PolarHBondContact O-N 2.9Å; K269-S273 PolarHBondContact O-OG 3.3Å
270S98.1Very high97.2Very high0 Ų033.5 Ų33.50%020%0.203CC..Hα-helixtrans-61.4-48.8174-59.10000112F191 V257 V266 M267 T268 H272 S273 F280F191-S270 WeakPolarHBondContact CD1-OG 3.43Å; F191-S270 VanDerWaalsContact CD2-OG 3.25Å; F191-S270 WeakPolarHBondContact CD2-OG 3.45Å; F191-S270 WeakPolarHBondContact CG-OG 3.15Å; V257-S270 WeakPolarHBondContact CG1-O 3.45Å; V266-S270 PolarHBondContact O-N 3.45Å; V266-S270 PolarHBondContact O-OG 2.87Å; M267-S270 WeakPolarHBondContact O-CB 3.3Å; M267-S270 PolarHBondContact O-N 3.36Å; T268-S270 VanDerWaalsContact C-N 3.29Å; T268-S270 PolarHBondContact O-N 3.31Å; S270-H272 VanDerWaalsContact C-N 3.32Å; S270-H272 PolarHBondContact O-N 2.69Å; S270-S273 WeakPolarHBondContact O-CB 3.34Å; S270-S273 PolarHBondContact O-N 3.2Å; S270-F280 VanDerWaalsContact CB-CE2 3.49Å
271L98.1Very high97.2Very high1 Ų132.3 Ų32.31%0.00519%0.194CC..Hα-helixtrans-61.8-39.8177176.258.9000112.2M267 T268 S273 V274 F280 F290 V292 D297 L298 K303 V305M267-L271 PolarHBondContact O-N 2.94Å; T268-L271 PolarHBondContact O-N 2.82Å; L271-S273 VanDerWaalsContact C-N 3.27Å; L271-S273 PolarHBondContact O-N 3.14Å; L271-V274 WeakPolarHBondContact O-CB 3.35Å; L271-V274 PolarHBondContact O-N 3.03Å; L271-F280 HydrophobicContact CB-CD1 4.08Å; L271-F280 HydrophobicContact CB-CE1 4.49Å; L271-F280 HydrophobicContact CB-CG 4.24Å; L271-F280 HydrophobicContact CD1-CB 3.76Å; L271-F280 HydrophobicContact CD1-CD1 4.16Å; L271-F280 HydrophobicContact CD1-CG 4.19Å; L271-F290 HydrophobicContact CB-CZ 4.1Å; L271-F290 HydrophobicContact CD2-CE1 4.19Å; L271-F290 HydrophobicContact CD2-CZ 3.74Å; L271-V292 HydrophobicContact CD2-CG1 3.86Å; L271-V292 HydrophobicContact CD2-CG2 3.97Å; L271-D297 HydrophobicContact CD2-CB 3.9Å; L271-L298 HydrophobicContact CD1-CD2 4.24Å; L271-L298 HydrophobicContact CD2-CD2 4.48Å; L271-K303 PolarHBondContact O-NZ 3.17Å; L271-V305 HydrophobicContact CD1-CG2 4.13Å
272H97.6Very high97.3Very high52 Ų5231.5 Ų31.524%0.24119%0.19CC..Hα-helixtrans-68.9-26.7178.1-65.4166.4000112.8E242 M246 T268 K269 S270 V274 D297E242-H272 HydrophobicContact CG-CB 4.3Å; M246-H272 WeakPolarHBondContact CE-O 3.27Å; T268-H272 PolarHBondContact O-N 2.92Å; K269-H272 PolarHBondContact O-N 3.04Å; S270-H272 VanDerWaalsContact C-N 3.32Å; S270-H272 PolarHBondContact O-N 2.69Å; H272-V274 VanDerWaalsContact C-N 3.27Å; H272-V274 PolarHBondContact O-N 3.45Å; H272-D297 IonicContact CD2-OD1 2.73Å; H272-D297 IonicContact CE1-OD1 3.88Å; H272-D297 IonicContact NE2-OD1 2.88Å; H272-D297 PolarHBondContact NE2-OD1 2.84Å
273S98.4Very high97.4Very high0 Ų032.3 Ų32.30%019%0.192CC..THydrogen-bonded Turntrans-75.1-8.7175.3-57.20000114.8G253 L254 K269 S270 L271G253-S273 WeakPolarHBondContact CA-O 3.47Å; L254-S273 PolarHBondContact N-O 3.08Å; K269-S273 WeakPolarHBondContact O-CB 3.3Å; K269-S273 PolarHBondContact O-N 2.9Å; K269-S273 PolarHBondContact O-OG 3.3Å; S270-S273 WeakPolarHBondContact O-CB 3.34Å; S270-S273 PolarHBondContact O-N 3.2Å; L271-S273 VanDerWaalsContact C-N 3.27Å; L271-S273 PolarHBondContact O-N 3.14Å
274V98.4Very high97.2Very high3 Ų330.4 Ų30.42%0.01818%0.184CC..EExtended strand (participates in β ladder)trans-76.9140.3178.1-176.80000110.6L254 V257 L271 H272 G278 F280 K303L254-V274 CarbonylContact O-C 3.58Å; L254-V274 WeakPolarHBondContact O-CA 3.43Å; V257-V274 HydrophobicContact CB-CG2 3.67Å; V257-V274 HydrophobicContact CG2-CB 4.33Å; V257-V274 HydrophobicContact CG2-CG2 3.5Å; V257-V274 VanDerWaalsContact CG2-CG2 3.5Å; L271-V274 WeakPolarHBondContact O-CB 3.35Å; L271-V274 PolarHBondContact O-N 3.03Å; H272-V274 VanDerWaalsContact C-N 3.27Å; H272-V274 PolarHBondContact O-N 3.45Å; V274-G278 VanDerWaalsContact CG1-CA 3.48Å; V274-F280 HydrophobicContact CG2-CB 3.94Å; V274-K303 HydrophobicContact CB-CD 4.17Å; V274-K303 HydrophobicContact CG1-CD 4.34Å; V274-K303 WeakPolarHBondContact O-CE 3.44Å; V274-K303 PolarHBondContact O-NZ 3.24Å
275S98.2Very high96.9Very high12 Ų1234.4 Ų34.48%0.08421%0.205CC..EExtended strand (participates in β ladder)trans-70168.2174.370.20000113.1R252 L254 S277 G278R252-S275 WeakPolarHBondContact O-CA 3.5Å; R252-S275 WeakPolarHBondContact O-CB 3.19Å; L254-S275 PolarHBondContact O-N 3.39Å; L254-S275 PolarHBondContact O-OG 3.41Å; S275-S277 PolarHBondContact O-N 2.89Å; S275-G278 PolarHBondContact O-N 3.15Å; S275-G278 VanDerWaalsContact O-N 3.09Å
276N97.9Very high96.6Very high116 Ų11632.2 Ų32.262%0.6219%0.19SC*.EExtended strand (participates in β ladder)trans-59.1137.4169.2-74.1-13.9000110.1G278 G301N276-G278 PolarHBondContact O-N 2.9Å; N276-G301 CarbonylContact C-O 3.45Å; N276-G301 WeakPolarHBondContact CA-O 3.35Å; N276-G301 VanDerWaalsContact OD1-CA 3.31Å; N276-G301 WeakPolarHBondContact OD1-CA 3.2Å
277S98.1Very high96Very high69 Ų6937.5 Ų37.548%0.48321%0.212SC..EExtended strand (participates in β ladder)trans67.6-4-173.3-44.90000116.2S275 G301 N302S275-S277 PolarHBondContact O-N 2.89Å; S277-G301 PolarHBondContact N-O 2.93Å; S277-N302 WeakPolarHBondContact CA-O 3.36Å
278G98.6Very high95.7Very high5 Ų544.5 Ų44.55%0.05224%0.242CC..EExtended strand (participates in β ladder)trans-72.3175.6179.500000113.8D255 V274 S275 N276 K304D255-G278 CarbonylContact O-C 3.18Å; D255-G278 WeakPolarHBondContact O-CA 3.32Å; V274-G278 VanDerWaalsContact CG1-CA 3.48Å; S275-G278 PolarHBondContact O-N 3.15Å; S275-G278 VanDerWaalsContact O-N 3.09Å; N276-G278 PolarHBondContact O-N 2.9Å; G278-K304 PolarHBondContact O-N 3.08Å
279T98.8Very high95.4Very high15 Ų1548.7 Ų48.79%0.09226%0.263CS..EExtended strand (participates in β ladder)trans-126124.2-174.2-50.80000112.2L180 D255 Y256 V257 V281 K304 R306L180-T279 HydrophobicContact CD2-CG2 3.82Å; D255-T279 PolarHBondContact O-N 2.59Å; Y256-T279 WeakPolarHBondContact CA-O 3.48Å; V257-T279 PolarHBondContact N-O 2.87Å; T279-V281 HydrophobicContact CG2-CG2 4.1Å; T279-K304 WeakPolarHBondContact CA-O 3.48Å; T279-K304 HydrophobicContact CG2-CB 4.08Å; T279-R306 HydrophobicContact CG2-CB 3.78Å
280F98.7Very high95.2Very high0 Ų048 Ų480%026%0.26CS..EExtended strand (participates in β ladder)trans-90.2133166.4176.8-130000110.6V257 D259 M267 S270 L271 V274 P282 F290 K304 V305 R306V257-F280 HydrophobicContact CB-CD2 4.4Å; V257-F280 HydrophobicContact CG1-CD2 4.45Å; V257-F280 CarbonylContact O-C 3.13Å; V257-F280 WeakPolarHBondContact O-CA 3.16Å; V257-F280 WeakPolarHBondContact O-CD2 3.43Å; D259-F280 HydrophobicContact CB-CE2 3.72Å; D259-F280 HydrophobicContact CB-CZ 3.93Å; M267-F280 HydrophobicContact CB-CZ 4.06Å; M267-F280 HydrophobicContact CG-CZ 4.27Å; S270-F280 VanDerWaalsContact CB-CE2 3.49Å; L271-F280 HydrophobicContact CB-CD1 4.08Å; L271-F280 HydrophobicContact CB-CE1 4.49Å; L271-F280 HydrophobicContact CB-CG 4.24Å; L271-F280 HydrophobicContact CD1-CB 3.76Å; L271-F280 HydrophobicContact CD1-CD1 4.16Å; L271-F280 HydrophobicContact CD1-CG 4.19Å; V274-F280 HydrophobicContact CG2-CB 3.94Å; F280-P282 HydrophobicContact CD1-CG 4.44Å; F280-P282 HydrophobicContact CE1-CB 3.94Å; F280-P282 HydrophobicContact CE1-CG 3.91Å; F280-P282 HydrophobicContact CZ-CB 3.81Å; F280-P282 HydrophobicContact CZ-CG 4.27Å; F280-F290 HydrophobicContact CD1-CE1 4.12Å; F280-F290 HydrophobicContact CE1-CD1 4.27Å; F280-F290 AromaticContact CE1-CE1 3.58Å; F280-F290 HydrophobicContact CE1-CE1 3.58Å; F280-F290 AromaticContact CE1-CZ 3.97Å; F280-F290 HydrophobicContact CE1-CZ 3.97Å; F280-K304 PolarHBondContact N-O 2.79Å; F280-V305 HydrophobicContact CB-CG2 4.46Å; F280-V305 HydrophobicContact CD1-CG1 4.01Å; F280-V305 HydrophobicContact CD1-CG2 4.13Å; F280-V305 WeakPolarHBondContact O-CA 3.3Å; F280-R306 PolarHBondContact O-N 3.09Å
281V98.6Very high95Very high0 Ų055.8 Ų55.80%030%0.296CS..EExtended strand (participates in β ladder)trans-125.598.6177.9-177.50000110L180 V257 I258 D259 T279 L283 R306 V308L180-V281 HydrophobicContact CD1-CG2 4.2Å; L180-V281 HydrophobicContact CD2-CG2 3.68Å; L180-V281 HydrophobicContact CG-CG2 4.16Å; V257-V281 PolarHBondContact O-N 2.94Å; I258-V281 WeakPolarHBondContact CA-O 3.01Å; I258-V281 HydrophobicContact CG1-CB 4.12Å; D259-V281 PolarHBondContact N-O 3.13Å; T279-V281 HydrophobicContact CG2-CG2 4.1Å; V281-L283 HydrophobicContact CG1-CD2 3.57Å; V281-L283 HydrophobicContact CG1-CG 3.87Å; V281-L283 PolarHBondContact O-N 3.22Å; V281-R306 HydrophobicContact CG2-CB 4.35Å; V281-V308 HydrophobicContact CG1-CB 4.16Å; V281-V308 HydrophobicContact CG1-CG2 3.72Å
282P97.5Very high94.9Very high36 Ų3658 Ų5823%0.23431%0.31CS..EExtended strand (participates in β ladder)trans-77.8118.1168.329.9-30.5000110M267 F280 V305M267-P282 HydrophobicContact SD-CB 4.34Å; F280-P282 HydrophobicContact CD1-CG 4.44Å; F280-P282 HydrophobicContact CE1-CB 3.94Å; F280-P282 HydrophobicContact CE1-CG 3.91Å; F280-P282 HydrophobicContact CZ-CB 3.81Å; F280-P282 HydrophobicContact CZ-CG 4.27Å; P282-V305 HydrophobicContact CG-CG1 4.22Å
283L95.8Very high94.8Very high22 Ų2259.2 Ų59.212%0.11532%0.318CS..  trans-106.5-25.2-178.8-67.6-178.7000114.1T171 A175 V196 I258 D259 V281 V308T171-L283 HydrophobicContact CG2-CD1 4.45Å; T171-L283 HydrophobicContact CG2-CD2 4.26Å; A175-L283 HydrophobicContact CB-CD1 3.92Å; A175-L283 HydrophobicContact CB-CD2 4.12Å; V196-L283 HydrophobicContact CG1-CB 4.4Å; V196-L283 HydrophobicContact CG1-CD1 3.74Å; I258-L283 HydrophobicContact CG2-CD1 3.49Å; I258-L283 VanDerWaalsContact CG2-CD1 3.49Å; I258-L283 HydrophobicContact CG2-CG 3.98Å; D259-L283 PolarHBondContact O-N 3.49Å; V281-L283 HydrophobicContact CG1-CD2 3.57Å; V281-L283 HydrophobicContact CG1-CG 3.87Å; V281-L283 PolarHBondContact O-N 3.22Å; L283-V308 HydrophobicContact CD2-CB 3.69Å; L283-V308 HydrophobicContact CD2-CG1 4.11Å
284A91.9Very high94.7Very high29 Ų2964.1 Ų64.124%0.2435%0.348CS..SBendtrans-67.5138.9-17200000112.9T286A284-T286 PolarHBondContact O-N 3.37Å
285V86.8Confident94.7Very high99 Ų9969 Ų6960%0.637%0.369SS*.  trans-73.8112.3170.3-179.10000109.2
286T88.5Confident94.6Very high55 Ų5575.1 Ų75.134%0.33740%0.395SS..  trans-145.5144175.5-1770000110.6G262 M267 A284 K288G262-T286 PolarHBondContact O-OG1 3.31Å; M267-T286 HydrophobicContact CE-CG2 4.49Å; A284-T286 PolarHBondContact O-N 3.37Å; T286-K288 VanDerWaalsContact C-N 3.31Å; T286-K288 PolarHBondContact OG1-N 3.01Å
287Q85.2Confident94.5Very high150 Ų15070.9 Ų70.970%0.70137%0.372SS*.SBendtrans-88.1-3.2172.1-66.8-176.1-14.200112.3N50N50-Q287 PolarHBondContact OD1-NE2 3.33Å; N50-Q287 VanDerWaalsContact OD1-NE2 3.16Å
288K90Very high94.5Very high154 Ų15469.6 Ų69.667%0.6736%0.359SS*.SBendtrans-80.3139.8-179.6-62.1-176.6179.7179.30109.7T286T286-K288 VanDerWaalsContact C-N 3.31Å; T286-K288 PolarHBondContact OG1-N 3.01Å
289N91.8Very high94.5Very high138 Ų13873.5 Ų73.574%0.73838%0.382SS*.  trans-67.9146.8174.6-65.9-22.5000111.2
290F93Very high94.4Very high52 Ų5280 Ų8023%0.22841%0.409CS..  trans-115.5118.8165.5174.6-126.9000107.7M267 L271 F280 V292M267-F290 HydrophobicContact CB-CD2 3.76Å; M267-F290 HydrophobicContact CB-CE2 3.81Å; M267-F290 HydrophobicContact CB-CG 4.29Å; M267-F290 HydrophobicContact CB-CZ 4.33Å; M267-F290 HydrophobicContact CE-CB 3.79Å; M267-F290 HydrophobicContact CE-CD2 4.32Å; M267-F290 HydrophobicContact CE-CG 4.23Å; M267-F290 HydrophobicContact SD-CB 4.34Å; M267-F290 HydrophobicContact SD-CG 4.41Å; L271-F290 HydrophobicContact CB-CZ 4.1Å; L271-F290 HydrophobicContact CD2-CE1 4.19Å; L271-F290 HydrophobicContact CD2-CZ 3.74Å; F280-F290 HydrophobicContact CD1-CE1 4.12Å; F280-F290 HydrophobicContact CE1-CD1 4.27Å; F280-F290 AromaticContact CE1-CE1 3.58Å; F280-F290 HydrophobicContact CE1-CE1 3.58Å; F280-F290 AromaticContact CE1-CZ 3.97Å; F280-F290 HydrophobicContact CE1-CZ 3.97Å; F290-V292 HydrophobicContact CD1-CG2 3.77Å; F290-V292 HydrophobicContact CE1-CG2 3.27Å; F290-V292 HydrophobicContact CE2-CG2 4.34Å; F290-V292 HydrophobicContact CG-CG2 4.49Å; F290-V292 HydrophobicContact CZ-CG2 3.62Å
291E94.1Very high94.3Very high164 Ų16480.2 Ų80.277%0.76641%0.411SS*.  trans-100.8138.1-177-65.6-178-17500110.1
292V94.9Very high94.3Very high48 Ų4885.7 Ų85.729%0.29144%0.441SS..  trans-133.8132.7-176-178.50000109.4L271 F290 T294 D297 L298L271-V292 HydrophobicContact CD2-CG1 3.86Å; L271-V292 HydrophobicContact CD2-CG2 3.97Å; F290-V292 HydrophobicContact CD1-CG2 3.77Å; F290-V292 HydrophobicContact CE1-CG2 3.27Å; F290-V292 HydrophobicContact CE2-CG2 4.34Å; F290-V292 HydrophobicContact CG-CG2 4.49Å; F290-V292 HydrophobicContact CZ-CG2 3.62Å; V292-T294 PolarHBondContact O-N 3.06Å; V292-D297 HydrophobicContact CG1-CB 3.6Å; V292-L298 HydrophobicContact CG1-CD1 3.93Å; V292-L298 HydrophobicContact CG1-CD2 4.05Å; V292-L298 HydrophobicContact CG1-CG 3.77Å
293N96.4Very high94.3Very high77 Ų7785.8 Ų85.841%0.41244%0.438SS..  trans-76.9107.3166.4-173.1-65.8000109.5F295 F296 D297N293-F295 PolarHBondContact O-N 2.76Å; N293-F295 VanDerWaalsContact O-N 3.12Å; N293-F295 PolarHBondContact OD1-N 3.2Å; N293-F296 HydrophobicContact CB-CB 4.47Å; N293-F296 PolarHBondContact O-N 3.49Å; N293-F296 WeakPolarHBondContact OD1-CD2 3.27Å; N293-F296 PolarHBondContact OD1-N 3.46Å; N293-D297 WeakPolarHBondContact CA-OD2 3.34Å; N293-D297 WeakPolarHBondContact CB-OD2 3.39Å; N293-D297 PolarHBondContact N-OD2 2.83Å; N293-D297 VanDerWaalsContact O-CB 3.25Å; N293-D297 WeakPolarHBondContact O-CB 2.99Å; N293-D297 PolarHBondContact O-N 2.88Å
294T96.4Very high94.4Very high103 Ų10390.5 Ų90.563%0.63246%0.457SS*.Iπ-helixtrans-57.8-32.6-174.657.50000113.5V292 L298 V299V292-T294 PolarHBondContact O-N 3.06Å; T294-L298 WeakPolarHBondContact O-CB 3.46Å; T294-V299 WeakPolarHBondContact O-CG2 3.17Å; T294-V299 PolarHBondContact O-N 3.24Å; T294-V299 VanDerWaalsContact O-N 3.07Å
295F97.5Very high94.7Very high104 Ų10492 Ų9246%0.45646%0.463SS..Iπ-helixtrans-80.7-58.1179.3-173.1-103.3000112.3N293 V299 F300N293-F295 PolarHBondContact O-N 2.76Å; N293-F295 VanDerWaalsContact O-N 3.12Å; N293-F295 PolarHBondContact OD1-N 3.2Å; F295-V299 HydrophobicContact CD2-CB 4.1Å; F295-V299 HydrophobicContact CD2-CG1 4Å; F295-V299 HydrophobicContact CE2-CG1 4.06Å; F295-V299 PolarHBondContact O-N 3.2Å; F295-F300 HydrophobicContact CE1-CD2 4.38Å; F295-F300 HydrophobicContact CZ-CD2 4.42Å; F295-F300 WeakPolarHBondContact O-CB 3.39Å; F295-F300 PolarHBondContact O-N 3.32Å
296F96.2Very high95.2Very high142 Ų14292.6 Ų92.662%0.62346%0.455SS*.Iπ-helixtrans-76.1-37.1-172.4-69.8-69.1000113.3N293N293-F296 HydrophobicContact CB-CB 4.47Å; N293-F296 PolarHBondContact O-N 3.49Å; N293-F296 WeakPolarHBondContact OD1-CD2 3.27Å; N293-F296 PolarHBondContact OD1-N 3.46Å
297D96.8Very high95.6Very high27 Ų2792.2 Ų92.214%0.14446%0.462CS..Iπ-helixtrans-84.4-27.8-177.7-60.7-38.1000112.3L271 H272 V292 N293 K303L271-D297 HydrophobicContact CD2-CB 3.9Å; H272-D297 IonicContact CD2-OD1 2.73Å; H272-D297 IonicContact CE1-OD1 3.88Å; H272-D297 IonicContact NE2-OD1 2.88Å; H272-D297 PolarHBondContact NE2-OD1 2.84Å; V292-D297 HydrophobicContact CG1-CB 3.6Å; N293-D297 WeakPolarHBondContact CA-OD2 3.34Å; N293-D297 WeakPolarHBondContact CB-OD2 3.39Å; N293-D297 PolarHBondContact N-OD2 2.83Å; N293-D297 VanDerWaalsContact O-CB 3.25Å; N293-D297 WeakPolarHBondContact O-CB 2.99Å; N293-D297 PolarHBondContact O-N 2.88Å; D297-K303 WeakPolarHBondContact O-CD 3.33Å
298L97.5Very high96.2Very high41 Ų4185.9 Ų85.922%0.21543%0.433CS..Iπ-helixtrans-115.7-65.7-174.8-50.6179.1000112.7L271 V292 T294 F300 G301 N302 K303 V305L271-L298 HydrophobicContact CD1-CD2 4.24Å; L271-L298 HydrophobicContact CD2-CD2 4.48Å; V292-L298 HydrophobicContact CG1-CD1 3.93Å; V292-L298 HydrophobicContact CG1-CD2 4.05Å; V292-L298 HydrophobicContact CG1-CG 3.77Å; T294-L298 WeakPolarHBondContact O-CB 3.46Å; L298-F300 PolarHBondContact O-N 2.68Å; L298-G301 PolarHBondContact O-N 3.12Å; L298-N302 CarbonylContact O-C 3.58Å; L298-N302 WeakPolarHBondContact O-CA 3.29Å; L298-N302 PolarHBondContact O-N 3.41Å; L298-K303 PolarHBondContact O-N 2.99Å; L298-V305 HydrophobicContact CD2-CG2 3.65Å
299V98Very high96.5Very high87 Ų8782.4 Ų82.453%0.52742%0.422SS..Iπ-helixtrans-63.4-45.4-170.5172.80000112.5T294 F295 G301 N302T294-V299 WeakPolarHBondContact O-CG2 3.17Å; T294-V299 PolarHBondContact O-N 3.24Å; T294-V299 VanDerWaalsContact O-N 3.07Å; F295-V299 HydrophobicContact CD2-CB 4.1Å; F295-V299 HydrophobicContact CD2-CG1 4Å; F295-V299 HydrophobicContact CE2-CG1 4.06Å; F295-V299 PolarHBondContact O-N 3.2Å; V299-G301 PolarHBondContact O-N 3.38Å; V299-N302 PolarHBondContact O-N 2.85Å; V299-N302 VanDerWaalsContact O-N 3.14Å
300F96.2Very high96.6Very high152 Ų15276.3 Ų76.367%0.66739%0.389SS*.THydrogen-bonded Turntrans-63.1-31-174.4-168.3-107.4000113.1F295 L298F295-F300 HydrophobicContact CE1-CD2 4.38Å; F295-F300 HydrophobicContact CZ-CD2 4.42Å; F295-F300 WeakPolarHBondContact O-CB 3.39Å; F295-F300 PolarHBondContact O-N 3.32Å; L298-F300 PolarHBondContact O-N 2.68Å
301G96.9Very high96.8Very high4 Ų473.9 Ų73.94%0.04138%0.378CS..THydrogen-bonded Turntrans-102.93.5176.600000114.8N276 S277 L298 V299 K303N276-G301 CarbonylContact C-O 3.45Å; N276-G301 WeakPolarHBondContact CA-O 3.35Å; N276-G301 VanDerWaalsContact OD1-CA 3.31Å; N276-G301 WeakPolarHBondContact OD1-CA 3.2Å; S277-G301 PolarHBondContact N-O 2.93Å; L298-G301 PolarHBondContact O-N 3.12Å; V299-G301 PolarHBondContact O-N 3.38Å; G301-K303 PolarHBondContact O-N 2.9Å
302N98.1Very high97Very high116 Ų11666.9 Ų66.962%0.6235%0.346SS*.THydrogen-bonded Turntrans5131.2-168.5-60.9-63000113.9S277 L298 V299S277-N302 WeakPolarHBondContact CA-O 3.36Å; L298-N302 CarbonylContact O-C 3.58Å; L298-N302 WeakPolarHBondContact O-CA 3.29Å; L298-N302 PolarHBondContact O-N 3.41Å; V299-N302 PolarHBondContact O-N 2.85Å; V299-N302 VanDerWaalsContact O-N 3.14Å
303K98.4Very high97.1Very high38 Ų3864.8 Ų64.817%0.16533%0.333CS..  trans-76.6158.1-176.1-58.3-171-177.5-177.60111.7L271 V274 D297 L298 G301L271-K303 PolarHBondContact O-NZ 3.17Å; V274-K303 HydrophobicContact CB-CD 4.17Å; V274-K303 HydrophobicContact CG1-CD 4.34Å; V274-K303 WeakPolarHBondContact O-CE 3.44Å; V274-K303 PolarHBondContact O-NZ 3.24Å; D297-K303 WeakPolarHBondContact O-CD 3.33Å; L298-K303 PolarHBondContact O-N 2.99Å; G301-K303 PolarHBondContact O-N 2.9Å
304K98.1Very high97Very high120 Ų12064 Ų6452%0.52233%0.329SS..EExtended strand (participates in β ladder)trans-119.4143.3178.7-58.4164.1-164.8152.10110.3G278 T279 F280G278-K304 PolarHBondContact O-N 3.08Å; T279-K304 WeakPolarHBondContact CA-O 3.48Å; T279-K304 HydrophobicContact CG2-CB 4.08Å; F280-K304 PolarHBondContact N-O 2.79Å
305V97.9Very high97Very high62 Ų6259.5 Ų59.538%0.37630%0.302SS..EExtended strand (participates in β ladder)trans-113.1124162.7-177.90000107.3L271 F280 P282 L298L271-V305 HydrophobicContact CD1-CG2 4.13Å; F280-V305 HydrophobicContact CB-CG2 4.46Å; F280-V305 HydrophobicContact CD1-CG1 4.01Å; F280-V305 HydrophobicContact CD1-CG2 4.13Å; F280-V305 WeakPolarHBondContact O-CA 3.3Å; P282-V305 HydrophobicContact CG-CG1 4.22Å; L298-V305 HydrophobicContact CD2-CG2 3.65Å
306R97.6Very high96.9Very high111 Ų11160.4 Ų60.442%0.41931%0.305SS..  trans-123.5112.9-175.1178.563.3173.9126.4-3.4110V179 T279 F280 V281 V308 D312V179-R306 HydrophobicContact CG1-CG 3.88Å; T279-R306 HydrophobicContact CG2-CB 3.78Å; F280-R306 PolarHBondContact O-N 3.09Å; V281-R306 HydrophobicContact CG2-CB 4.35Å; R306-V308 HydrophobicContact CG-CG2 4.13Å; R306-D312 IonicContact NH2-OD2 2.74Å
307G96.3Very high96.9Very high47 Ų4760.6 Ų60.649%0.48530%0.303SS..  trans-70.4138.9167.400000110.9
308V97.4Very high97Very high17 Ų1760 Ų6010%0.10330%0.299CS..  trans-136.6118179.3176.60000108.7A175 V179 V281 L283 R306 G311A175-V308 HydrophobicContact CB-CG1 4.17Å; V179-V308 HydrophobicContact CB-CG2 4.13Å; V179-V308 HydrophobicContact CG1-CG2 3.75Å; V179-V308 HydrophobicContact CG2-CG1 3.96Å; V179-V308 HydrophobicContact CG2-CG2 3.92Å; V281-V308 HydrophobicContact CG1-CB 4.16Å; V281-V308 HydrophobicContact CG1-CG2 3.72Å; L283-V308 HydrophobicContact CD2-CB 3.69Å; L283-V308 HydrophobicContact CD2-CG1 4.11Å; R306-V308 HydrophobicContact CG-CG2 4.13Å; V308-G311 VanDerWaalsContact CG1-CA 3.48Å
309L96.1Very high97Very high81 Ų8158.1 Ų58.142%0.42429%0.29SS..SBendtrans-101.7127.4174.8179.760.4000108.5S101 W106 G311 D312S101-L309 WeakPolarHBondContact CB-O 3.03Å; S101-L309 VanDerWaalsContact O-CD2 3.27Å; S101-L309 WeakPolarHBondContact O-CD2 3.44Å; W106-L309 HydrophobicContact CD2-CD2 3.84Å; W106-L309 HydrophobicContact CE3-CD2 4.11Å; W106-L309 HydrophobicContact CG-CD2 4.44Å; W106-L309 HydrophobicContact CH2-CD1 4.47Å; W106-L309 HydrophobicContact CH2-CD2 4.02Å; W106-L309 HydrophobicContact CH2-CG 4.09Å; W106-L309 HydrophobicContact CZ2-CD1 4.03Å; W106-L309 HydrophobicContact CZ2-CD2 3.74Å; W106-L309 HydrophobicContact CZ2-CG 4.01Å; W106-L309 HydrophobicContact CZ3-CD2 4.18Å; L309-G311 PolarHBondContact O-N 2.96Å; L309-D312 PolarHBondContact O-N 2.89Å
310I95.5Very high97Very high10 Ų1055.8 Ų55.85%0.05128%0.276CS..G310 helixtrans48.330.6178.3-153.2112.7000115.1Y86 W106 F134 C167 T171 D312Y86-I310 HydrophobicContact CD1-CB 4.12Å; Y86-I310 HydrophobicContact CD1-CD1 3.86Å; Y86-I310 HydrophobicContact CD1-CG1 3.6Å; Y86-I310 HydrophobicContact CD1-CG2 3.57Å; Y86-I310 HydrophobicContact CE1-CB 4.13Å; Y86-I310 HydrophobicContact CE1-CG1 3.77Å; Y86-I310 HydrophobicContact CE1-CG2 3.29Å; Y86-I310 HydrophobicContact CE2-CG2 4.33Å; Y86-I310 HydrophobicContact CG-CG2 4.22Å; W106-I310 HydrophobicContact CH2-CB 4.39Å; W106-I310 HydrophobicContact CH2-CG2 3.96Å; W106-I310 HydrophobicContact CZ3-CG2 4.24Å; F134-I310 HydrophobicContact CE1-CD1 4.2Å; F134-I310 HydrophobicContact CZ-CD1 4.18Å; C167-I310 HydrophobicContact CB-CD1 4.22Å; T171-I310 WeakPolarHBondContact OG1-CA 3.34Å; I310-D312 VanDerWaalsContact C-N 3.26Å; I310-D312 PolarHBondContact O-N 2.97Å
311G96.9Very high97.1Very high0 Ų053 Ų530%027%0.268CS..G310 helixtrans78.4-0.8-179.100000115.4G174 V308 L309 T313G174-G311 CarbonylContact C-O 3.59Å; G174-G311 WeakPolarHBondContact CA-O 3.43Å; V308-G311 VanDerWaalsContact CG1-CA 3.48Å; L309-G311 PolarHBondContact O-N 2.96Å; G311-T313 VanDerWaalsContact C-N 3.27Å; G311-T313 WeakPolarHBondContact O-CG2 3.47Å; G311-T313 PolarHBondContact O-N 2.83Å
312D97.3Very high97.2Very high17 Ų1752.8 Ų52.89%0.09127%0.266CS..G310 helixtrans48.847.2-174.2-163.722.1000113.4H99 S101 V179 R306 L309 I310H99-D312 IonicContact CE1-OD2 2.97Å; H99-D312 IonicContact CG-OD1 3.75Å; H99-D312 IonicContact ND1-OD1 2.73Å; H99-D312 PolarHBondContact ND1-OD1 2.97Å; H99-D312 IonicContact ND1-OD2 2.81Å; H99-D312 PolarHBondContact ND1-OD2 3.14Å; S101-D312 PolarHBondContact OG-OD1 3.44Å; V179-D312 HydrophobicContact CG2-CB 3.64Å; R306-D312 IonicContact NH2-OD2 2.74Å; L309-D312 PolarHBondContact O-N 2.89Å; I310-D312 VanDerWaalsContact C-N 3.26Å; I310-D312 PolarHBondContact O-N 2.97Å
313T96.6Very high97.2Very high5 Ų547.4 Ų47.43%0.03124%0.237CC..  trans-108.2163.5-176.760.10000111.2Y86 G174 S178 G311 H318Y86-T313 PolarHBondContact OH-O 2.81Å; G174-T313 VanDerWaalsContact CA-CG2 3.49Å; S178-T313 VanDerWaalsContact OG-CG2 3.31Å; S178-T313 WeakPolarHBondContact OG-CG2 3.41Å; G311-T313 VanDerWaalsContact C-N 3.27Å; G311-T313 WeakPolarHBondContact O-CG2 3.47Å; G311-T313 PolarHBondContact O-N 2.83Å; T313-H318 HydrophobicContact CG2-CB 3.94Å; T313-H318 VanDerWaalsContact CG2-CD2 3.44Å; T313-H318 WeakPolarHBondContact CG2-CD2 3.43Å; T313-H318 VanDerWaalsContact CG2-CG 3.42Å
314I96.2Very high97.2Very high61 Ų6148.6 Ų48.631%0.31324%0.244SC..  trans-91.5105.2158.1-58.2171.7000107G98 P100 K316 Y317 H318G98-I314 WeakPolarHBondContact O-CG1 3.26Å; P100-I314 HydrophobicContact CG-CG1 4.33Å; I314-K316 HydrophobicContact CG2-CB 4.21Å; I314-K316 PolarHBondContact O-N 2.8Å; I314-K316 VanDerWaalsContact O-N 3.09Å; I314-Y317 HydrophobicContact CB-CD2 3.93Å; I314-Y317 HydrophobicContact CD1-CD2 4.31Å; I314-Y317 HydrophobicContact CD1-CE2 4.47Å; I314-Y317 HydrophobicContact CG2-CD2 3.6Å; I314-Y317 HydrophobicContact CG2-CE2 4Å; I314-Y317 PolarHBondContact O-N 2.87Å; I314-H318 PolarHBondContact O-N 2.87Å
315A96.4Very high97.2Very high8 Ų845 Ų457%0.06623%0.228CC..Hα-helixtrans-52.9-38.2-172.800000113Y86 V151 Y317 H318 L319Y86-A315 HydrophobicContact CE1-CB 4.27Å; V151-A315 HydrophobicContact CG2-CB 3.87Å; A315-Y317 PolarHBondContact O-N 3.43Å; A315-Y317 VanDerWaalsContact O-N 3.11Å; A315-H318 PolarHBondContact O-N 3.4Å; A315-L319 HydrophobicContact CB-CD1 4.18Å; A315-L319 HydrophobicContact CB-CG 4.23Å; A315-L319 WeakPolarHBondContact O-CG 3.49Å; A315-L319 PolarHBondContact O-N 3.07Å
316K95.3Very high97.2Very high122 Ų12244.6 Ų44.653%0.5322%0.22SC..Hα-helixtrans-53.8-30.5177-174.8176.3-179.4176.20114.2I314 P320I314-K316 HydrophobicContact CG2-CB 4.21Å; I314-K316 PolarHBondContact O-N 2.8Å; I314-K316 VanDerWaalsContact O-N 3.09Å; K316-P320 WeakPolarHBondContact O-CD 3.27Å; K316-P320 WeakPolarHBondContact O-CG 3.29Å
317Y95.7Very high97.2Very high146 Ų14642.8 Ų42.857%0.57322%0.215SC*.Hα-helixtrans-104.1-38.6178-59.6-64.7000112I314 A315 N321I314-Y317 HydrophobicContact CB-CD2 3.93Å; I314-Y317 HydrophobicContact CD1-CD2 4.31Å; I314-Y317 HydrophobicContact CD1-CE2 4.47Å; I314-Y317 HydrophobicContact CG2-CD2 3.6Å; I314-Y317 HydrophobicContact CG2-CE2 4Å; I314-Y317 PolarHBondContact O-N 2.87Å; A315-Y317 PolarHBondContact O-N 3.43Å; A315-Y317 VanDerWaalsContact O-N 3.11Å; Y317-N321 PolarHBondContact O-N 3.11Å; Y317-N321 PolarHBondContact O-ND2 2.96Å
318H97.9Very high97.2Very high15 Ų1547.9 Ų47.97%0.06922%0.22CC..Hα-helixtrans-66.5-47.6-176.1-174.160.7000112.5G170 S173 G174 T313 I314 A315 N321 L322G170-H318 PolarHBondContact O-NE2 3.39Å; S173-H318 PolarHBondContact OG-NE2 2.85Å; G174-H318 PolarHBondContact N-NE2 3.1Å; T313-H318 HydrophobicContact CG2-CB 3.94Å; T313-H318 VanDerWaalsContact CG2-CD2 3.44Å; T313-H318 WeakPolarHBondContact CG2-CD2 3.43Å; T313-H318 VanDerWaalsContact CG2-CG 3.42Å; I314-H318 PolarHBondContact O-N 2.87Å; A315-H318 PolarHBondContact O-N 3.4Å; H318-N321 WeakPolarHBondContact O-CB 3.32Å; H318-N321 PolarHBondContact O-N 2.85Å; H318-L322 WeakPolarHBondContact O-CG 3.45Å; H318-L322 PolarHBondContact O-N 2.91Å
319L98.3Very high97.3Very high2 Ų249.4 Ų49.41%0.0124%0.239CC..Hα-helixtrans-67.8-43.6-174.4-50-175.1000112.8I83 V151 L165 A315 N321 L322 I323I83-L319 HydrophobicContact CB-CD1 4.35Å; I83-L319 HydrophobicContact CD1-CB 4.27Å; I83-L319 HydrophobicContact CD1-CD1 4.34Å; I83-L319 HydrophobicContact CG2-CD1 3.92Å; V151-L319 HydrophobicContact CB-CD1 4.37Å; V151-L319 HydrophobicContact CG1-CB 4.29Å; V151-L319 HydrophobicContact CG2-CD1 4.08Å; L165-L319 HydrophobicContact CB-CD2 4.14Å; L165-L319 WeakPolarHBondContact O-CD2 3.2Å; A315-L319 HydrophobicContact CB-CD1 4.18Å; A315-L319 HydrophobicContact CB-CG 4.23Å; A315-L319 WeakPolarHBondContact O-CG 3.49Å; A315-L319 PolarHBondContact O-N 3.07Å; L319-N321 VanDerWaalsContact C-N 3.28Å; L319-N321 PolarHBondContact O-N 3.18Å; L319-L322 HydrophobicContact CD2-CD1 4.3Å; L319-L322 WeakPolarHBondContact O-CB 3.43Å; L319-L322 PolarHBondContact O-N 2.92Å; L319-L322 VanDerWaalsContact O-N 3.12Å; L319-I323 WeakPolarHBondContact O-CG1 3.24Å; L319-I323 PolarHBondContact O-N 3.41Å
320P97.9Very high97.4Very high38 Ų3849.6 Ų49.625%0.24724%0.237CC..Hα-helixtrans-59.2-37.1172.6-27.338.3000113.2V151 K316 L322 I323 E324V151-P320 HydrophobicContact CG1-CG 4.01Å; K316-P320 WeakPolarHBondContact O-CD 3.27Å; K316-P320 WeakPolarHBondContact O-CG 3.29Å; P320-L322 VanDerWaalsContact C-N 3.34Å; P320-L322 PolarHBondContact O-N 3.19Å; P320-I323 WeakPolarHBondContact O-CB 3.09Å; P320-I323 PolarHBondContact O-N 3.45Å; P320-E324 PolarHBondContact O-N 3.31Å
321N97.9Very high97.5Very high92 Ų9249.1 Ų49.149%0.49224%0.235SC..Hα-helixtrans-64.1-37.7174.8-70.7-18000112.3Y317 H318 L319 I323 E324 F325Y317-N321 PolarHBondContact O-N 3.11Å; Y317-N321 PolarHBondContact O-ND2 2.96Å; H318-N321 WeakPolarHBondContact O-CB 3.32Å; H318-N321 PolarHBondContact O-N 2.85Å; L319-N321 VanDerWaalsContact C-N 3.28Å; L319-N321 PolarHBondContact O-N 3.18Å; N321-I323 VanDerWaalsContact C-N 3.31Å; N321-I323 PolarHBondContact O-N 2.91Å; N321-E324 WeakPolarHBondContact O-CB 3.43Å; N321-E324 PolarHBondContact O-N 3.43Å; N321-F325 WeakPolarHBondContact O-CD2 3.45Å; N321-F325 PolarHBondContact O-N 3.34Å
322L98.6Very high97.5Very high0 Ų050 Ų500%024%0.24CC..Hα-helixtrans-64.1-37.1173.4-63.6-179.4000112.3L165 S173 H318 L319 P320 E324 F325 Y326 F331L165-L322 HydrophobicContact CD2-CB 4.23Å; L165-L322 HydrophobicContact CD2-CD1 4.05Å; S173-L322 WeakPolarHBondContact OG-CD1 3.47Å; H318-L322 WeakPolarHBondContact O-CG 3.45Å; H318-L322 PolarHBondContact O-N 2.91Å; L319-L322 HydrophobicContact CD2-CD1 4.3Å; L319-L322 WeakPolarHBondContact O-CB 3.43Å; L319-L322 PolarHBondContact O-N 2.92Å; L319-L322 VanDerWaalsContact O-N 3.12Å; P320-L322 VanDerWaalsContact C-N 3.34Å; P320-L322 PolarHBondContact O-N 3.19Å; L322-E324 VanDerWaalsContact C-N 3.32Å; L322-F325 HydrophobicContact CD2-CD2 4.41Å; L322-F325 PolarHBondContact O-N 3.48Å; L322-Y326 WeakPolarHBondContact O-CB 3.44Å; L322-Y326 PolarHBondContact O-N 2.53Å; L322-F331 HydrophobicContact CB-CD1 4.38Å; L322-F331 HydrophobicContact CB-CE1 4.46Å; L322-F331 HydrophobicContact CD1-CE1 4.36Å; L322-F331 HydrophobicContact CD2-CD1 4.45Å; L322-F331 HydrophobicContact CD2-CE1 4.29Å; L322-F331 HydrophobicContact CD2-CE2 4.41Å; L322-F331 HydrophobicContact CD2-CZ 4.27Å
323I98.4Very high97.6Very high4 Ų449.1 Ų49.12%0.02124%0.236CC..Hα-helixtrans-63.7-40.7174.2-64.9169.7000110.4I83 V153 V157 L162 L165 L319 P320 N321 Y326 K327I83-I323 HydrophobicContact CD1-CD1 4.07Å; V153-I323 HydrophobicContact CB-CD1 3.9Å; V153-I323 HydrophobicContact CG1-CD1 3.5Å; V157-I323 HydrophobicContact CG2-CG2 3.77Å; L162-I323 HydrophobicContact CD1-CD1 4.03Å; L162-I323 HydrophobicContact CD2-CD1 4.18Å; L162-I323 HydrophobicContact CD2-CG1 4.07Å; L165-I323 HydrophobicContact CD1-CD1 4.3Å; L165-I323 HydrophobicContact CD1-CG1 3.65Å; L319-I323 WeakPolarHBondContact O-CG1 3.24Å; L319-I323 PolarHBondContact O-N 3.41Å; P320-I323 WeakPolarHBondContact O-CB 3.09Å; P320-I323 PolarHBondContact O-N 3.45Å; N321-I323 VanDerWaalsContact C-N 3.31Å; N321-I323 PolarHBondContact O-N 2.91Å; I323-Y326 WeakPolarHBondContact O-CB 3.34Å; I323-Y326 PolarHBondContact O-N 2.5Å; I323-K327 HydrophobicContact CG2-CD 4.32Å; I323-K327 HydrophobicContact CG2-CG 4.43Å; I323-K327 WeakPolarHBondContact O-CG 3.33Å; I323-K327 PolarHBondContact O-N 3.11Å
324E98.2Very high97.6Very high63 Ų6351.8 Ų51.829%0.29425%0.25SC..Hα-helixtrans-62.9-42.2175.1-74.6-60.6119.400112.6P320 N321 L322 Y326 K327 R328P320-E324 PolarHBondContact O-N 3.31Å; N321-E324 WeakPolarHBondContact O-CB 3.43Å; N321-E324 PolarHBondContact O-N 3.43Å; L322-E324 VanDerWaalsContact C-N 3.32Å; E324-Y326 VanDerWaalsContact C-N 3.32Å; E324-Y326 PolarHBondContact O-N 2.8Å; E324-K327 PolarHBondContact O-N 2.84Å; E324-K327 IonicContact OE1-NZ 3.18Å; E324-R328 WeakPolarHBondContact O-CG 3.41Å; E324-R328 PolarHBondContact O-N 3.48Å; E324-R328 IonicContact OE2-NH2 3.19Å; E324-R328 PolarHBondContact OE2-NH2 3.02Å
325F98.4Very high97.6Very high45 Ų4553.2 Ų53.220%0.19726%0.256CS..Hα-helixtrans-63.3-38.7172.8-68-54.1000112L177 I206 N321 L322 R328 G329 E330 F331L177-F325 HydrophobicContact CD1-CE2 4.38Å; I206-F325 HydrophobicContact CD1-CB 4Å; I206-F325 HydrophobicContact CD1-CD1 4.14Å; I206-F325 HydrophobicContact CD1-CD2 4.01Å; I206-F325 HydrophobicContact CD1-CG 3.81Å; I206-F325 HydrophobicContact CG1-CD1 4.47Å; I206-F325 HydrophobicContact CG2-CD1 4.25Å; I206-F325 HydrophobicContact CG2-CE1 3.7Å; I206-F325 HydrophobicContact CG2-CE2 4.12Å; I206-F325 HydrophobicContact CG2-CZ 3.63Å; N321-F325 WeakPolarHBondContact O-CD2 3.45Å; N321-F325 PolarHBondContact O-N 3.34Å; L322-F325 HydrophobicContact CD2-CD2 4.41Å; L322-F325 PolarHBondContact O-N 3.48Å; F325-R328 PolarHBondContact O-N 3.17Å; F325-G329 PolarHBondContact O-N 3.06Å; F325-E330 HydrophobicContact CB-CB 4.27Å; F325-E330 HydrophobicContact CD1-CB 4.42Å; F325-E330 WeakPolarHBondContact CD1-OE2 3.18Å; F325-E330 PolarHBondContact O-N 2.86Å; F325-F331 HydrophobicContact CB-CB 3.69Å; F325-F331 PolarHBondContact O-N 2.82Å
326Y98.3Very high97.7Very high53 Ų5353.6 Ų53.621%0.20826%0.256CS..Hα-helixtrans-62.3-47.7174.3166.8-107.9000112.3V157 L161 L322 I323 E324 R328 G329 F331 F333 D334V157-Y326 HydrophobicContact CG1-CD1 4.28Å; V157-Y326 HydrophobicContact CG1-CE1 3.87Å; L161-Y326 WeakPolarHBondContact CD1-OH 3.4Å; L322-Y326 WeakPolarHBondContact O-CB 3.44Å; L322-Y326 PolarHBondContact O-N 2.53Å; I323-Y326 WeakPolarHBondContact O-CB 3.34Å; I323-Y326 PolarHBondContact O-N 2.5Å; E324-Y326 VanDerWaalsContact C-N 3.32Å; E324-Y326 PolarHBondContact O-N 2.8Å; Y326-R328 PolarHBondContact O-N 3.45Å; Y326-R328 VanDerWaalsContact O-N 3.13Å; Y326-G329 PolarHBondContact O-N 2.93Å; Y326-F331 WeakPolarHBondContact CD2-O 3.35Å; Y326-F333 HydrophobicContact CD1-CE1 4.17Å; Y326-F333 HydrophobicContact CD1-CZ 4.45Å; Y326-F333 AromaticContact CD2-CD1 3.91Å; Y326-F333 HydrophobicContact CD2-CD1 3.91Å; Y326-F333 AromaticContact CD2-CE1 3.71Å; Y326-F333 HydrophobicContact CD2-CE1 3.71Å; Y326-F333 HydrophobicContact CD2-CZ 4.36Å; Y326-F333 HydrophobicContact CE2-CE1 4.46Å; Y326-F333 HydrophobicContact CG-CD1 4.13Å; Y326-F333 AromaticContact CG-CE1 3.53Å; Y326-F333 HydrophobicContact CG-CE1 3.53Å; Y326-F333 HydrophobicContact CG-CZ 4.21Å; Y326-D334 HydrophobicContact CE2-CB 3.92Å; Y326-D334 WeakPolarHBondContact CE2-OD1 3.33Å
327K97.5Very high97.8Very high73 Ų7349 Ų4932%0.31724%0.238SC..Hα-helixtrans-57.4-27.8176.1-73176.9178.9-175.30112.6D154 D156 V157 I323 E324D154-K327 IonicContact OD2-NZ 3.29Å; D154-K327 PolarHBondContact OD2-NZ 2.94Å; D156-K327 WeakPolarHBondContact OD1-CE 3.39Å; D156-K327 IonicContact OD1-NZ 3.34Å; D156-K327 PolarHBondContact OD1-NZ 2.81Å; D156-K327 IonicContact OD2-NZ 3.27Å; D156-K327 PolarHBondContact OD2-NZ 2.79Å; V157-K327 HydrophobicContact CG2-CD 4.4Å; V157-K327 HydrophobicContact CG2-CG 4.4Å; I323-K327 HydrophobicContact CG2-CD 4.32Å; I323-K327 HydrophobicContact CG2-CG 4.43Å; I323-K327 WeakPolarHBondContact O-CG 3.33Å; I323-K327 PolarHBondContact O-N 3.11Å; E324-K327 PolarHBondContact O-N 2.84Å; E324-K327 IonicContact OE1-NZ 3.18Å
328R97.4Very high97.9Very high154 Ų15445.8 Ų45.858%0.58123%0.227SC*.THydrogen-bonded Turntrans-89.7-1.3176.6-63.7171.3-158.6176.38.2114.1E324 F325 Y326 E330E324-R328 WeakPolarHBondContact O-CG 3.41Å; E324-R328 PolarHBondContact O-N 3.48Å; E324-R328 IonicContact OE2-NH2 3.19Å; E324-R328 PolarHBondContact OE2-NH2 3.02Å; F325-R328 PolarHBondContact O-N 3.17Å; Y326-R328 PolarHBondContact O-N 3.45Å; Y326-R328 VanDerWaalsContact O-N 3.13Å; R328-E330 VanDerWaalsContact C-N 3.26Å; R328-E330 HydrophobicContact CB-CG 4.18Å; R328-E330 PolarHBondContact O-N 2.85Å
329G97.6Very high97.9Very high48 Ų4849 Ų4950%0.49524%0.239SC..THydrogen-bonded Turntrans74.512.1-17600000114.4F325 Y326F325-G329 PolarHBondContact O-N 3.06Å; Y326-G329 PolarHBondContact O-N 2.93Å
330E98.2Very high97.9Very high85 Ų8549.9 Ų49.940%0.39724%0.242SC..SBendtrans-88.4-20-178.6-65178.6178.200112.5I206 F325 R328I206-E330 HydrophobicContact CD1-CB 4.39Å; I206-E330 HydrophobicContact CG1-CB 4.18Å; F325-E330 HydrophobicContact CB-CB 4.27Å; F325-E330 HydrophobicContact CD1-CB 4.42Å; F325-E330 WeakPolarHBondContact CD1-OE2 3.18Å; F325-E330 PolarHBondContact O-N 2.86Å; R328-E330 VanDerWaalsContact C-N 3.26Å; R328-E330 HydrophobicContact CB-CG 4.18Å; R328-E330 PolarHBondContact O-N 2.85Å
331F98.5Very high98Very high0 Ų051.5 Ų51.50%025%0.249CC..SBendtrans-131.864.1176.8-159.6-106.9000110.5L165 S199 M202 I206 L322 F325 Y326 F333L165-F331 HydrophobicContact CD2-CE1 4.07Å; S199-F331 WeakPolarHBondContact OG-CZ 3.46Å; M202-F331 HydrophobicContact CB-CD2 3.4Å; M202-F331 HydrophobicContact CB-CE2 3.6Å; M202-F331 HydrophobicContact CB-CG 4.42Å; M202-F331 HydrophobicContact CE-CD1 4.47Å; M202-F331 HydrophobicContact CE-CD2 4Å; M202-F331 HydrophobicContact CE-CE1 4.19Å; M202-F331 HydrophobicContact CE-CE2 3.72Å; M202-F331 HydrophobicContact CE-CG 4.35Å; M202-F331 HydrophobicContact CE-CZ 3.79Å; M202-F331 HydrophobicContact CG-CD2 4.3Å; M202-F331 HydrophobicContact SD-CD2 4.02Å; M202-F331 HydrophobicContact SD-CE2 4.32Å; M202-F331 HydrophobicContact SD-CG 4.25Å; I206-F331 HydrophobicContact CD1-CB 4.22Å; I206-F331 HydrophobicContact CD1-CD2 3.95Å; L322-F331 HydrophobicContact CB-CD1 4.38Å; L322-F331 HydrophobicContact CB-CE1 4.46Å; L322-F331 HydrophobicContact CD1-CE1 4.36Å; L322-F331 HydrophobicContact CD2-CD1 4.45Å; L322-F331 HydrophobicContact CD2-CE1 4.29Å; L322-F331 HydrophobicContact CD2-CE2 4.41Å; L322-F331 HydrophobicContact CD2-CZ 4.27Å; F325-F331 HydrophobicContact CB-CB 3.69Å; F325-F331 PolarHBondContact O-N 2.82Å; Y326-F331 WeakPolarHBondContact CD2-O 3.35Å; F331-F333 HydrophobicContact CD1-CB 4.38Å; F331-F333 AromaticContact CD1-CD1 3.57Å; F331-F333 HydrophobicContact CD1-CD1 3.57Å; F331-F333 HydrophobicContact CD1-CE1 4.33Å; F331-F333 HydrophobicContact CD1-CG 4.39Å; F331-F333 HydrophobicContact CE1-CB 4.29Å; F331-F333 AromaticContact CE1-CD1 3.96Å; F331-F333 HydrophobicContact CE1-CD1 3.96Å; F331-F333 HydrophobicContact CE1-CG 4.44Å; F331-F333 VanDerWaalsContact O-CD1 3.23Å; F331-F333 WeakPolarHBondContact O-CD1 3.35Å; F331-F333 PolarHBondContact O-N 2.7Å
332P98Very high98Very high18 Ų1847.2 Ų47.212%0.11723%0.226CC..  trans-77.866.1-171.634.9-38.7000112.5M202 L228 D334 Q335M202-P332 HydrophobicContact SD-CG 4.34Å; L228-P332 HydrophobicContact CD2-CG 3.81Å; P332-D334 WeakPolarHBondContact CA-OD1 3.2Å; P332-D334 PolarHBondContact O-N 2.91Å; P332-Q335 HydrophobicContact CB-CG 4.1Å; P332-Q335 PolarHBondContact O-N 2.95Å
333F97.7Very high98Very high0 Ų050.9 Ų50.90%024%0.243CC..G310 helixtrans-73.7-14-175.466.4-93.6000114.1L161 L162 L165 L169 M202 Y326 F331 Q335 F336 V337L161-F333 HydrophobicContact CB-CE2 3.88Å; L161-F333 HydrophobicContact CB-CZ 4.39Å; L161-F333 VanDerWaalsContact O-CE2 3.28Å; L161-F333 WeakPolarHBondContact O-CE2 3.42Å; L162-F333 HydrophobicContact CD2-CZ 4.03Å; L165-F333 HydrophobicContact CD1-CE1 4.21Å; L165-F333 HydrophobicContact CD1-CZ 3.96Å; L165-F333 HydrophobicContact CD2-CD1 4.1Å; L165-F333 HydrophobicContact CD2-CE1 3.87Å; L165-F333 HydrophobicContact CD2-CE2 4.39Å; L165-F333 HydrophobicContact CD2-CG 4.46Å; L165-F333 HydrophobicContact CD2-CZ 4.05Å; L165-F333 HydrophobicContact CG-CE1 4.41Å; L165-F333 HydrophobicContact CG-CE2 4.46Å; L165-F333 HydrophobicContact CG-CZ 4.13Å; L169-F333 HydrophobicContact CD1-CB 3.69Å; L169-F333 HydrophobicContact CD1-CD2 3.64Å; L169-F333 HydrophobicContact CD1-CE2 4.43Å; L169-F333 HydrophobicContact CD1-CG 3.72Å; M202-F333 HydrophobicContact CE-CB 4.19Å; Y326-F333 HydrophobicContact CD1-CE1 4.17Å; Y326-F333 HydrophobicContact CD1-CZ 4.45Å; Y326-F333 AromaticContact CD2-CD1 3.91Å; Y326-F333 HydrophobicContact CD2-CD1 3.91Å; Y326-F333 AromaticContact CD2-CE1 3.71Å; Y326-F333 HydrophobicContact CD2-CE1 3.71Å; Y326-F333 HydrophobicContact CD2-CZ 4.36Å; Y326-F333 HydrophobicContact CE2-CE1 4.46Å; Y326-F333 HydrophobicContact CG-CD1 4.13Å; Y326-F333 AromaticContact CG-CE1 3.53Å; Y326-F333 HydrophobicContact CG-CE1 3.53Å; Y326-F333 HydrophobicContact CG-CZ 4.21Å; F331-F333 HydrophobicContact CD1-CB 4.38Å; F331-F333 AromaticContact CD1-CD1 3.57Å; F331-F333 HydrophobicContact CD1-CD1 3.57Å; F331-F333 HydrophobicContact CD1-CE1 4.33Å; F331-F333 HydrophobicContact CD1-CG 4.39Å; F331-F333 HydrophobicContact CE1-CB 4.29Å; F331-F333 AromaticContact CE1-CD1 3.96Å; F331-F333 HydrophobicContact CE1-CD1 3.96Å; F331-F333 HydrophobicContact CE1-CG 4.44Å; F331-F333 VanDerWaalsContact O-CD1 3.23Å; F331-F333 WeakPolarHBondContact O-CD1 3.35Å; F331-F333 PolarHBondContact O-N 2.7Å; F333-Q335 PolarHBondContact O-N 2.85Å; F333-F336 HydrophobicContact CB-CE1 4.09Å; F333-F336 HydrophobicContact CB-CE2 4.37Å; F333-F336 HydrophobicContact CB-CZ 3.64Å; F333-F336 WeakPolarHBondContact O-CE2 3.28Å; F333-V337 WeakPolarHBondContact O-CG2 3.26Å
334D97.5Very high98Very high60 Ų6054.7 Ų54.732%0.32126%0.263SS..G310 helixtrans-61.2-31.3172.265.7-54.1000112.4L161 Y326 P332 F336 V337L161-D334 HydrophobicContact CD1-CB 4.08Å; L161-D334 HydrophobicContact CD2-CB 3.97Å; Y326-D334 HydrophobicContact CE2-CB 3.92Å; Y326-D334 WeakPolarHBondContact CE2-OD1 3.33Å; P332-D334 WeakPolarHBondContact CA-OD1 3.2Å; P332-D334 PolarHBondContact O-N 2.91Å; D334-F336 PolarHBondContact O-N 2.69Å; D334-V337 PolarHBondContact O-N 3.27Å; D334-V337 VanDerWaalsContact O-N 3.12Å
335Q97Very high98Very high92 Ų9251.7 Ų51.743%0.4325%0.249SC..G310 helixtrans-65.1-9.4-173.3-64.6-172.615.500115.4P332 F333P332-Q335 HydrophobicContact CB-CG 4.1Å; P332-Q335 PolarHBondContact O-N 2.95Å; F333-Q335 PolarHBondContact O-N 2.85Å
336F96.7Very high98Very high16 Ų1652.5 Ų52.57%0.0726%0.255CS..G310 helixtrans-130.116.6179.256.8-103.4000112.9L169 F198 M202 L228 F333 D334 I358 K359L169-F336 HydrophobicContact CD2-CE2 3.94Å; L169-F336 HydrophobicContact CD2-CZ 3.84Å; F198-F336 HydrophobicContact CB-CE1 4.11Å; F198-F336 HydrophobicContact CB-CZ 4.22Å; F198-F336 HydrophobicContact CD2-CB 4.44Å; F198-F336 AromaticContact CD2-CD1 3.75Å; F198-F336 HydrophobicContact CD2-CD1 3.75Å; F198-F336 HydrophobicContact CD2-CD2 4.3Å; F198-F336 AromaticContact CD2-CE1 3.98Å; F198-F336 HydrophobicContact CD2-CE1 3.98Å; F198-F336 AromaticContact CD2-CG 3.91Å; F198-F336 HydrophobicContact CD2-CG 3.91Å; F198-F336 HydrophobicContact CD2-CZ 4.37Å; F198-F336 HydrophobicContact CE2-CB 4.33Å; F198-F336 HydrophobicContact CE2-CD1 4.32Å; F198-F336 HydrophobicContact CE2-CG 4.29Å; F198-F336 HydrophobicContact CG-CE1 4.48Å; M202-F336 HydrophobicContact CE-CE1 3.82Å; M202-F336 HydrophobicContact CE-CZ 3.92Å; M202-F336 HydrophobicContact SD-CE1 4.48Å; L228-F336 HydrophobicContact CD1-CD1 3.83Å; L228-F336 HydrophobicContact CD1-CE1 3.8Å; L228-F336 HydrophobicContact CD2-CD1 4.47Å; L228-F336 HydrophobicContact CD2-CE1 4.42Å; F333-F336 HydrophobicContact CB-CE1 4.09Å; F333-F336 HydrophobicContact CB-CE2 4.37Å; F333-F336 HydrophobicContact CB-CZ 3.64Å; F333-F336 WeakPolarHBondContact O-CE2 3.28Å; D334-F336 PolarHBondContact O-N 2.69Å; F336-I358 HydrophobicContact CB-CB 4.09Å; F336-I358 HydrophobicContact CB-CG1 4.46Å; F336-I358 HydrophobicContact CB-CG2 4.29Å; F336-I358 HydrophobicContact CD2-CB 4.28Å; F336-I358 HydrophobicContact CD2-CG2 3.78Å; F336-I358 HydrophobicContact CE2-CG2 4.45Å; F336-I358 HydrophobicContact CG-CG2 4.21Å; F336-K359 HydrophobicContact CD2-CB 3.92Å; F336-K359 HydrophobicContact CE2-CB 4.18Å; F336-K359 PolarHBondContact O-N 3.1Å
337V98Very high98.1Very high26 Ų2655 Ų5516%0.15827%0.269CS..EExtended strand (participates in β ladder)trans-89.7136173.6172.90000110.3L161 F333 D334 Y339 K359 V361L161-V337 HydrophobicContact CD2-CB 4.28Å; L161-V337 HydrophobicContact CD2-CG1 4.23Å; L161-V337 HydrophobicContact CD2-CG2 4.25Å; F333-V337 WeakPolarHBondContact O-CG2 3.26Å; D334-V337 PolarHBondContact O-N 3.27Å; D334-V337 VanDerWaalsContact O-N 3.12Å; V337-Y339 HydrophobicContact CG1-CD1 4.26Å; V337-Y339 HydrophobicContact CG1-CE1 3.89Å; V337-K359 CarbonylContact C-O 3.58Å; V337-K359 VanDerWaalsContact CA-O 3.3Å; V337-K359 WeakPolarHBondContact CA-O 3.44Å; V337-K359 HydrophobicContact CG2-CB 4.21Å; V337-K359 HydrophobicContact CG2-CG 4.02Å; V337-V361 HydrophobicContact CG1-CB 4.14Å; V337-V361 HydrophobicContact CG1-CG2 3.67Å
338K98.2Very high98.1Very high77 Ų7751.6 Ų51.634%0.33525%0.254SS..EExtended strand (participates in β ladder)trans-124.1128.9168.3-174.8178.2170.7-166.40109.5Y340 D351 E356 V357 K359 A360 V361K338-Y340 HydrophobicContact CB-CE2 4.06Å; K338-Y340 HydrophobicContact CD-CE2 3.99Å; K338-Y340 WeakPolarHBondContact CD-OH 3.46Å; K338-Y340 VanDerWaalsContact CE-OH 3.27Å; K338-Y340 WeakPolarHBondContact CE-OH 3.29Å; K338-Y340 HydrophobicContact CG-CE2 3.8Å; K338-Y340 PolarHBondContact NZ-OH 3.4Å; K338-Y340 VanDerWaalsContact NZ-OH 3.11Å; K338-Y340 WeakPolarHBondContact O-CD2 3.49Å; K338-D351 IonicContact NZ-OD2 2.67Å; K338-D351 PolarHBondContact NZ-OD2 3.17Å; K338-E356 IonicContact NZ-OE1 3.86Å; K338-E356 PolarHBondContact NZ-OE1 3.13Å; K338-V357 HydrophobicContact CB-CG1 3.79Å; K338-V357 HydrophobicContact CB-CG2 4.45Å; K338-V357 HydrophobicContact CD-CG1 4.35Å; K338-V357 HydrophobicContact CD-CG2 3.51Å; K338-K359 PolarHBondContact N-O 3.33Å; K338-A360 WeakPolarHBondContact O-CA 3.27Å; K338-V361 PolarHBondContact O-N 3.33Å
339Y98.4Very high98.2Very high84 Ų8444.8 Ų44.833%0.32923%0.229SC..EExtended strand (participates in β ladder)trans-87.6145.1179.7-62.4-64.7000112.3R160 L161 V337 V361 V363R160-Y339 HydrophobicContact CB-CE1 3.68Å; L161-Y339 WeakPolarHBondContact CD2-OH 3.32Å; L161-Y339 WeakPolarHBondContact CG-OH 3.35Å; V337-Y339 HydrophobicContact CG1-CD1 4.26Å; V337-Y339 HydrophobicContact CG1-CE1 3.89Å; Y339-V361 CarbonylContact C-O 3.34Å; Y339-V361 WeakPolarHBondContact CA-O 3.4Å; Y339-V361 HydrophobicContact CD1-CB 3.83Å; Y339-V361 HydrophobicContact CD1-CG1 3.8Å; Y339-V361 HydrophobicContact CE1-CB 4.09Å; Y339-V361 HydrophobicContact CE1-CG1 3.9Å; Y339-V363 HydrophobicContact CD1-CG2 3.91Å; Y339-V363 HydrophobicContact CG-CG2 4.39Å
340Y98.7Very high98.2Very high20 Ų2044.7 Ų44.78%0.07822%0.224CC..EExtended strand (participates in β ladder)trans-133.2145.6174.8-65.9-100.2000109K338 Q347 A348 D351 V357 A360 V361 V362 V363K338-Y340 HydrophobicContact CB-CE2 4.06Å; K338-Y340 HydrophobicContact CD-CE2 3.99Å; K338-Y340 WeakPolarHBondContact CD-OH 3.46Å; K338-Y340 VanDerWaalsContact CE-OH 3.27Å; K338-Y340 WeakPolarHBondContact CE-OH 3.29Å; K338-Y340 HydrophobicContact CG-CE2 3.8Å; K338-Y340 PolarHBondContact NZ-OH 3.4Å; K338-Y340 VanDerWaalsContact NZ-OH 3.11Å; K338-Y340 WeakPolarHBondContact O-CD2 3.49Å; Y340-Q347 HydrophobicContact CE1-CG 4.42Å; Y340-A348 HydrophobicContact CD1-CB 3.68Å; Y340-A348 HydrophobicContact CD2-CB 3.62Å; Y340-A348 HydrophobicContact CE1-CB 4.06Å; Y340-A348 HydrophobicContact CE2-CB 4.02Å; Y340-A348 HydrophobicContact CG-CB 3.45Å; Y340-A348 VanDerWaalsContact CG-CB 3.45Å; Y340-D351 WeakPolarHBondContact CE1-OD2 3.43Å; Y340-D351 VanDerWaalsContact OH-CB 3.29Å; Y340-D351 WeakPolarHBondContact OH-CB 3.46Å; Y340-D351 PolarHBondContact OH-OD2 3.2Å; Y340-V357 WeakPolarHBondContact OH-CG2 3.31Å; Y340-A360 HydrophobicContact CD2-CB 4.06Å; Y340-A360 HydrophobicContact CE2-CB 3.73Å; Y340-V361 PolarHBondContact N-O 2.93Å; Y340-V362 CarbonylContact O-C 3.5Å; Y340-V362 WeakPolarHBondContact O-CA 3.16Å; Y340-V363 PolarHBondContact O-N 2.67Å
341D98.4Very high98.1Very high72 Ų7241.3 Ų41.339%0.38521%0.208SC..EExtended strand (participates in β ladder)trans-61.4144.6163.8-77.26.2000109.9E343 N344 K366D341-E343 PolarHBondContact O-N 3.11Å; D341-E343 VanDerWaalsContact O-N 3.17Å; D341-N344 WeakPolarHBondContact O-CA 3.49Å; D341-N344 WeakPolarHBondContact O-CB 3.13Å; D341-N344 PolarHBondContact O-N 3.36Å; D341-K366 VanDerWaalsContact CG-NZ 3.3Å; D341-K366 IonicContact OD2-NZ 2.81Å; D341-K366 PolarHBondContact OD2-NZ 2.63Å
342F98.6Very high98Very high2 Ų242.5 Ų42.51%0.00922%0.217CC..G310 helixtrans-53.8-36.7179.2-178.5-147.9000113.3K4 A6 I17 F139 N344 I345 V363 M364K4-F342 HydrophobicContact CD-CE1 4.47Å; K4-F342 HydrophobicContact CG-CE1 4.09Å; A6-F342 HydrophobicContact CB-CE2 3.86Å; A6-F342 HydrophobicContact CB-CZ 4.07Å; I17-F342 HydrophobicContact CD1-CD1 4.37Å; I17-F342 HydrophobicContact CD1-CD2 4.05Å; I17-F342 HydrophobicContact CD1-CE1 4.09Å; I17-F342 HydrophobicContact CD1-CE2 3.74Å; I17-F342 HydrophobicContact CD1-CG 4.35Å; I17-F342 HydrophobicContact CD1-CZ 3.75Å; F139-F342 HydrophobicContact CB-CE2 4.37Å; F139-F342 WeakPolarHBondContact O-CZ 3.34Å; F342-N344 PolarHBondContact O-N 2.91Å; F342-N344 VanDerWaalsContact O-N 3.17Å; F342-I345 HydrophobicContact CE2-CD1 4.39Å; F342-I345 WeakPolarHBondContact O-CB 3.45Å; F342-I345 PolarHBondContact O-N 3.25Å; F342-V363 WeakPolarHBondContact CB-O 3.34Å; F342-V363 PolarHBondContact N-O 2.71Å; F342-V363 VanDerWaalsContact N-O 3.13Å; F342-M364 HydrophobicContact CB-SD 4.03Å; F342-M364 HydrophobicContact CD1-CG 4.35Å; F342-M364 HydrophobicContact CD2-CE 3.6Å; F342-M364 HydrophobicContact CD2-CG 4.45Å; F342-M364 HydrophobicContact CD2-SD 3.77Å; F342-M364 HydrophobicContact CE2-CE 3.68Å; F342-M364 HydrophobicContact CE2-SD 4.38Å; F342-M364 HydrophobicContact CG-CE 4.28Å; F342-M364 HydrophobicContact CG-CG 4.25Å; F342-M364 HydrophobicContact CG-SD 3.91Å; F342-M364 HydrophobicContact CZ-CE 4.4Å
343E98.4Very high97.8Very high77 Ų7744.2 Ų44.236%0.3622%0.224SC..G310 helixtrans-62.2-22.8176.5-64.976.5-158.700113.5K4 D341 K366K4-E343 IonicContact NZ-OE1 2.79Å; K4-E343 PolarHBondContact NZ-OE1 2.87Å; D341-E343 PolarHBondContact O-N 3.11Å; D341-E343 VanDerWaalsContact O-N 3.17Å; E343-K366 WeakPolarHBondContact OE2-CE 3.29Å; E343-K366 IonicContact OE2-NZ 2.63Å; E343-K366 PolarHBondContact OE2-NZ 2.82Å
344N98.5Very high97.5Very high84 Ų8448.2 Ų48.245%0.44925%0.252SS..G310 helixtrans-95.418.7-178.9-65.5-38.3000113D341 F342 N346 Q347 A348D341-N344 WeakPolarHBondContact O-CA 3.49Å; D341-N344 WeakPolarHBondContact O-CB 3.13Å; D341-N344 PolarHBondContact O-N 3.36Å; F342-N344 PolarHBondContact O-N 2.91Å; F342-N344 VanDerWaalsContact O-N 3.17Å; N344-N346 VanDerWaalsContact C-N 3.25Å; N344-N346 PolarHBondContact O-N 2.88Å; N344-Q347 WeakPolarHBondContact O-CB 3.33Å; N344-Q347 PolarHBondContact O-N 2.9Å; N344-A348 PolarHBondContact O-N 3.23Å
345I98.8Very high97Very high0 Ų045.9 Ų45.90%024%0.243CC..Hα-helixtrans-54.9-35.9-178.5-171.1167000113.8A6 Y15 I17 L39 F139 F342 Q347 A348 E349 V362A6-I345 HydrophobicContact CB-CD1 3.99Å; A6-I345 HydrophobicContact CB-CG2 4.48Å; Y15-I345 HydrophobicContact CD1-CD1 4.31Å; Y15-I345 HydrophobicContact CD2-CD1 4.41Å; Y15-I345 HydrophobicContact CD2-CG1 4.06Å; Y15-I345 HydrophobicContact CD2-CG2 4.15Å; Y15-I345 HydrophobicContact CE2-CG1 4.33Å; Y15-I345 HydrophobicContact CG-CD1 4.26Å; Y15-I345 HydrophobicContact CG-CG1 4.32Å; Y15-I345 HydrophobicContact CG-CG2 4.03Å; I17-I345 HydrophobicContact CD1-CG2 4.05Å; L39-I345 HydrophobicContact CD1-CG1 4.46Å; L39-I345 HydrophobicContact CD2-CG1 4.32Å; F139-I345 HydrophobicContact CB-CD1 3.97Å; F139-I345 HydrophobicContact CD1-CD1 3.96Å; F139-I345 HydrophobicContact CD2-CD1 3.7Å; F139-I345 HydrophobicContact CE1-CD1 4.39Å; F139-I345 HydrophobicContact CE2-CD1 4.16Å; F139-I345 HydrophobicContact CG-CD1 3.62Å; F342-I345 HydrophobicContact CE2-CD1 4.39Å; F342-I345 WeakPolarHBondContact O-CB 3.45Å; F342-I345 PolarHBondContact O-N 3.25Å; I345-Q347 PolarHBondContact O-N 3.44Å; I345-A348 PolarHBondContact O-N 3.01Å; I345-E349 PolarHBondContact O-N 3.35Å; I345-V362 HydrophobicContact CB-CG1 4.04Å; I345-V362 HydrophobicContact CD1-CG2 4.46Å; I345-V362 HydrophobicContact CG1-CG1 4.05Å
346N98.7Very high96.8Very high61 Ų6148 Ų4833%0.32625%0.252SS..Hα-helixtrans-64.9-38.7176.5-70.6-63.9000112.1P14 Y15 N344 A350P14-N346 WeakPolarHBondContact CB-OD1 3.44Å; Y15-N346 WeakPolarHBondContact CD2-OD1 3.28Å; Y15-N346 PolarHBondContact N-OD1 3.45Å; Y15-N346 PolarHBondContact O-ND2 3.18Å; N344-N346 VanDerWaalsContact C-N 3.25Å; N344-N346 PolarHBondContact O-N 2.88Å; N346-A350 WeakPolarHBondContact O-CB 3.13Å; N346-A350 PolarHBondContact O-N 2.86Å; N346-A350 VanDerWaalsContact O-N 3.1Å
347Q98.7Very high96.7Very high107 Ų10747.6 Ų47.650%0.525%0.251SS..Hα-helixtrans-69.8-41.5174.7-172.864.55400110.9Y340 N344 I345 E349 A350 D351Y340-Q347 HydrophobicContact CE1-CG 4.42Å; N344-Q347 WeakPolarHBondContact O-CB 3.33Å; N344-Q347 PolarHBondContact O-N 2.9Å; I345-Q347 PolarHBondContact O-N 3.44Å; Q347-E349 VanDerWaalsContact C-N 3.31Å; Q347-E349 PolarHBondContact O-N 2.82Å; Q347-A350 PolarHBondContact O-N 2.99Å; Q347-D351 PolarHBondContact NE2-OD1 3.03Å; Q347-D351 VanDerWaalsContact O-CG 3.32Å; Q347-D351 PolarHBondContact O-N 3.22Å
348A98.6Very high96.6Very high0 Ų047.7 Ų47.70%025%0.251CS..Hα-helixtrans-59.3-41.8177.200000112L39 Y340 N344 I345 S352 A360 V362L39-A348 HydrophobicContact CD1-CB 3.32Å; Y340-A348 HydrophobicContact CD1-CB 3.68Å; Y340-A348 HydrophobicContact CD2-CB 3.62Å; Y340-A348 HydrophobicContact CE1-CB 4.06Å; Y340-A348 HydrophobicContact CE2-CB 4.02Å; Y340-A348 HydrophobicContact CG-CB 3.45Å; Y340-A348 VanDerWaalsContact CG-CB 3.45Å; N344-A348 PolarHBondContact O-N 3.23Å; I345-A348 PolarHBondContact O-N 3.01Å; A348-S352 WeakPolarHBondContact O-CB 3.46Å; A348-S352 PolarHBondContact O-N 3.17Å; A348-S352 VanDerWaalsContact O-N 3.14Å; A348-A360 HydrophobicContact CB-CB 4.21Å; A348-V362 HydrophobicContact CB-CG1 3.99Å
349E98.4Very high96.6Very high12 Ų1244.3 Ų44.36%0.05624%0.236CC..Hα-helixtrans-65.1-46.1173.4-169.9-169.4-108.100111.3Y15 L39 R47 I345 Q347 D351 S352 I353Y15-E349 HydrophobicContact CE2-CB 4.16Å; Y15-E349 HydrophobicContact CE2-CG 4.33Å; Y15-E349 WeakPolarHBondContact CE2-OE1 3.25Å; Y15-E349 PolarHBondContact OH-OE1 2.71Å; L39-E349 HydrophobicContact CD2-CB 4.46Å; R47-E349 IonicContact CZ-OE2 2.78Å; R47-E349 IonicContact NE-OE1 3.08Å; R47-E349 PolarHBondContact NE-OE1 2.63Å; R47-E349 IonicContact NE-OE2 2.93Å; R47-E349 PolarHBondContact NE-OE2 2.8Å; R47-E349 IonicContact NH2-OE2 2.71Å; R47-E349 PolarHBondContact NH2-OE2 3Å; I345-E349 PolarHBondContact O-N 3.35Å; Q347-E349 VanDerWaalsContact C-N 3.31Å; Q347-E349 PolarHBondContact O-N 2.82Å; E349-D351 PolarHBondContact O-N 3.19Å; E349-S352 PolarHBondContact O-N 2.79Å; E349-I353 HydrophobicContact CG-CD1 3.71Å; E349-I353 HydrophobicContact CG-CG1 4.33Å; E349-I353 VanDerWaalsContact O-CG1 3.31Å; E349-I353 WeakPolarHBondContact O-CG1 3.46Å; E349-I353 PolarHBondContact O-N 2.74Å
350A97.9Very high96.6Very high46 Ų4640.3 Ų40.338%0.3822%0.22SC..Hα-helixtrans-59.3-45.818000000112.5N346 Q347 S352 I353 S354N346-A350 WeakPolarHBondContact O-CB 3.13Å; N346-A350 PolarHBondContact O-N 2.86Å; N346-A350 VanDerWaalsContact O-N 3.1Å; Q347-A350 PolarHBondContact O-N 2.99Å; A350-S352 VanDerWaalsContact C-N 3.31Å; A350-S352 PolarHBondContact O-N 3.44Å; A350-I353 PolarHBondContact O-N 2.93Å; A350-S354 WeakPolarHBondContact O-CB 3.31Å; A350-S354 PolarHBondContact O-N 2.91Å; A350-S354 PolarHBondContact O-OG 2.88Å
351D97.6Very high96.6Very high14 Ų1439.4 Ų39.48%0.07522%0.217CC..Hα-helixtrans-65.5-34.4177.8-67.7-2.2000111.8K338 Y340 Q347 E349 S354 G355 E356 V357K338-D351 IonicContact NZ-OD2 2.67Å; K338-D351 PolarHBondContact NZ-OD2 3.17Å; Y340-D351 WeakPolarHBondContact CE1-OD2 3.43Å; Y340-D351 VanDerWaalsContact OH-CB 3.29Å; Y340-D351 WeakPolarHBondContact OH-CB 3.46Å; Y340-D351 PolarHBondContact OH-OD2 3.2Å; Q347-D351 PolarHBondContact NE2-OD1 3.03Å; Q347-D351 VanDerWaalsContact O-CG 3.32Å; Q347-D351 PolarHBondContact O-N 3.22Å; E349-D351 PolarHBondContact O-N 3.19Å; D351-S354 PolarHBondContact O-OG 2.88Å; D351-G355 PolarHBondContact O-N 2.89Å; D351-E356 PolarHBondContact O-N 3.2Å; D351-V357 HydrophobicContact CB-CB 4.12Å; D351-V357 HydrophobicContact CB-CG2 3.8Å; D351-V357 PolarHBondContact O-N 2.86Å; D351-V357 VanDerWaalsContact O-N 3.08Å
352S95.6Very high96.6Very high25 Ų2536 Ų3618%0.17520%0.198CC..Hα-helixtrans-70.1-40.2175.2-1740000112.1A348 E349 A350 G355 V357A348-S352 WeakPolarHBondContact O-CB 3.46Å; A348-S352 PolarHBondContact O-N 3.17Å; A348-S352 VanDerWaalsContact O-N 3.14Å; E349-S352 PolarHBondContact O-N 2.79Å; A350-S352 VanDerWaalsContact C-N 3.31Å; A350-S352 PolarHBondContact O-N 3.44Å; S352-G355 PolarHBondContact O-N 3.19Å; S352-V357 WeakPolarHBondContact CA-O 3.39Å
353I92.8Very high96.6Very high53 Ų5336.5 Ų36.527%0.27220%0.202SC..Hα-helixtrans-70.7-42.9179.3-70168.2000112Y44 E349 A350 G355Y44-I353 HydrophobicContact CD1-CD1 4.3Å; Y44-I353 HydrophobicContact CD2-CD1 3.13Å; Y44-I353 HydrophobicContact CD2-CG1 4.24Å; Y44-I353 HydrophobicContact CE2-CD1 3.41Å; Y44-I353 VanDerWaalsContact CE2-CD1 3.41Å; Y44-I353 HydrophobicContact CG-CD1 3.59Å; Y44-I353 HydrophobicContact CG-CG1 4.25Å; E349-I353 HydrophobicContact CG-CD1 3.71Å; E349-I353 HydrophobicContact CG-CG1 4.33Å; E349-I353 VanDerWaalsContact O-CG1 3.31Å; E349-I353 WeakPolarHBondContact O-CG1 3.46Å; E349-I353 PolarHBondContact O-N 2.74Å; A350-I353 PolarHBondContact O-N 2.93Å; I353-G355 PolarHBondContact O-N 2.86Å
354S92.6Very high96.6Very high85 Ų8533.7 Ų33.759%0.59419%0.189SC*.Hα-helixtrans-61.7-25.8176.573.70000111.4A350 D351 E356A350-S354 WeakPolarHBondContact O-CB 3.31Å; A350-S354 PolarHBondContact O-N 2.91Å; A350-S354 PolarHBondContact O-OG 2.88Å; D351-S354 PolarHBondContact O-OG 2.88Å; S354-E356 VanDerWaalsContact C-N 3.35Å; S354-E356 PolarHBondContact OG-N 3.45Å
355G87.7Confident96.6Very high11 Ų1130.6 Ų30.611%0.11317%0.172CC..THydrogen-bonded Turntrans87.64.817900000114.2R221 D351 S352 I353 V357R221-G355 PolarHBondContact NH2-O 3.37Å; D351-G355 PolarHBondContact O-N 2.89Å; S352-G355 PolarHBondContact O-N 3.19Å; I353-G355 PolarHBondContact O-N 2.86Å; G355-V357 PolarHBondContact O-N 2.8Å
356E91Very high96.4Very high135 Ų13535.6 Ų35.663%0.63119%0.194SC*.SBendtrans-54.9-39.3167.4-176.4-171.8140.500110.6K338 D351 S354K338-E356 IonicContact NZ-OE1 3.86Å; K338-E356 PolarHBondContact NZ-OE1 3.13Å; D351-E356 PolarHBondContact O-N 3.2Å; S354-E356 VanDerWaalsContact C-N 3.35Å; S354-E356 PolarHBondContact OG-N 3.45Å
357V95.5Very high96.3Very high9 Ų939.1 Ų39.16%0.05521%0.213CC..  trans-118129.3-177.1176.20000110.1K338 Y340 D351 S352 G355 A360K338-V357 HydrophobicContact CB-CG1 3.79Å; K338-V357 HydrophobicContact CB-CG2 4.45Å; K338-V357 HydrophobicContact CD-CG1 4.35Å; K338-V357 HydrophobicContact CD-CG2 3.51Å; Y340-V357 WeakPolarHBondContact OH-CG2 3.31Å; D351-V357 HydrophobicContact CB-CB 4.12Å; D351-V357 HydrophobicContact CB-CG2 3.8Å; D351-V357 PolarHBondContact O-N 2.86Å; D351-V357 VanDerWaalsContact O-N 3.08Å; S352-V357 WeakPolarHBondContact CA-O 3.39Å; G355-V357 PolarHBondContact O-N 2.8Å; V357-A360 HydrophobicContact CG1-CB 4.01Å
358I95.8Very high96.2Very high28 Ų2835 Ų3514%0.14419%0.193CC..SBendtrans-80.7-48.5-176.7-58.6-67.1000111.4A195 F198 R221 F336A195-I358 HydrophobicContact CB-CG2 4.44Å; F198-I358 HydrophobicContact CD2-CG2 3.72Å; F198-I358 HydrophobicContact CE2-CB 4.35Å; F198-I358 HydrophobicContact CE2-CD1 4.15Å; F198-I358 HydrophobicContact CE2-CG1 3.93Å; F198-I358 HydrophobicContact CE2-CG2 3.73Å; R221-I358 HydrophobicContact CG-CD1 3.73Å; F336-I358 HydrophobicContact CB-CB 4.09Å; F336-I358 HydrophobicContact CB-CG1 4.46Å; F336-I358 HydrophobicContact CB-CG2 4.29Å; F336-I358 HydrophobicContact CD2-CB 4.28Å; F336-I358 HydrophobicContact CD2-CG2 3.78Å; F336-I358 HydrophobicContact CE2-CG2 4.45Å; F336-I358 HydrophobicContact CG-CG2 4.21Å
359K98Very high96Very high6 Ų642.3 Ų42.33%0.02623%0.227CC..EExtended strand (participates in β ladder)trans-132.799.6176.1-17851.263.51710109.9L39 E61 P164 A195 F336 V337 K338 V361L39-K359 PolarHBondContact O-NZ 2.91Å; E61-K359 VanDerWaalsContact CD-NZ 3.26Å; E61-K359 IonicContact OE1-NZ 3.45Å; E61-K359 PolarHBondContact OE1-NZ 3.02Å; E61-K359 IonicContact OE2-NZ 3.04Å; E61-K359 PolarHBondContact OE2-NZ 2.99Å; P164-K359 HydrophobicContact CB-CD 3.95Å; P164-K359 HydrophobicContact CB-CG 4.14Å; P164-K359 HydrophobicContact CG-CD 3.81Å; P164-K359 HydrophobicContact CG-CG 3.92Å; A195-K359 VanDerWaalsContact CB-CE 3.45Å; F336-K359 HydrophobicContact CD2-CB 3.92Å; F336-K359 HydrophobicContact CE2-CB 4.18Å; F336-K359 PolarHBondContact O-N 3.1Å; V337-K359 CarbonylContact C-O 3.58Å; V337-K359 VanDerWaalsContact CA-O 3.3Å; V337-K359 WeakPolarHBondContact CA-O 3.44Å; V337-K359 HydrophobicContact CG2-CB 4.21Å; V337-K359 HydrophobicContact CG2-CG 4.02Å; K338-K359 PolarHBondContact N-O 3.33Å; K359-V361 HydrophobicContact CG-CG2 4.36Å
360A98.4Very high95.7Very high0 Ų043.9 Ų43.90%024%0.238CC..EExtended strand (participates in β ladder)trans-78.6137.6169.700000109.5L39 K338 Y340 A348 V357L39-A360 HydrophobicContact CB-CB 4.24Å; L39-A360 HydrophobicContact CD1-CB 3.91Å; L39-A360 PolarHBondContact N-O 2.89Å; K338-A360 WeakPolarHBondContact O-CA 3.27Å; Y340-A360 HydrophobicContact CD2-CB 4.06Å; Y340-A360 HydrophobicContact CE2-CB 3.73Å; A348-A360 HydrophobicContact CB-CB 4.21Å; V357-A360 HydrophobicContact CG1-CB 4.01Å
361V98.8Very high95.3Very high0 Ų044.1 Ų44.10%024%0.236CC..EExtended strand (participates in β ladder)trans-127.2125.7173.9171.80000108.2A36 S37 R160 P164 V337 K338 Y339 Y340 K359A36-V361 HydrophobicContact CB-CG1 3.7Å; S37-V361 CarbonylContact O-C 3.6Å; S37-V361 WeakPolarHBondContact O-CA 3.49Å; R160-V361 WeakPolarHBondContact O-CG1 3.36Å; P164-V361 HydrophobicContact CG-CG2 3.86Å; V337-V361 HydrophobicContact CG1-CB 4.14Å; V337-V361 HydrophobicContact CG1-CG2 3.67Å; K338-V361 PolarHBondContact O-N 3.33Å; Y339-V361 CarbonylContact C-O 3.34Å; Y339-V361 WeakPolarHBondContact CA-O 3.4Å; Y339-V361 HydrophobicContact CD1-CB 3.83Å; Y339-V361 HydrophobicContact CD1-CG1 3.8Å; Y339-V361 HydrophobicContact CE1-CB 4.09Å; Y339-V361 HydrophobicContact CE1-CG1 3.9Å; Y340-V361 PolarHBondContact N-O 2.93Å; K359-V361 HydrophobicContact CG-CG2 4.36Å
362V98.8Very high94.2Very high0 Ų056.8 Ų56.80%029%0.29CS..EExtended strand (participates in β ladder)trans-92.9129.8173.3-75.90000109.8A36 S37 L39 F139 Y340 I345 A348 M364A36-V362 CarbonylContact C-O 3.58Å; A36-V362 WeakPolarHBondContact CA-O 3.04Å; A36-V362 WeakPolarHBondContact CB-O 3.42Å; S37-V362 PolarHBondContact N-O 3.08Å; S37-V362 WeakPolarHBondContact O-CG2 3.08Å; S37-V362 PolarHBondContact O-N 3.09Å; L39-V362 HydrophobicContact CD1-CG1 4.08Å; F139-V362 HydrophobicContact CD1-CG2 4.15Å; F139-V362 HydrophobicContact CE1-CG2 4.22Å; Y340-V362 CarbonylContact O-C 3.5Å; Y340-V362 WeakPolarHBondContact O-CA 3.16Å; I345-V362 HydrophobicContact CB-CG1 4.04Å; I345-V362 HydrophobicContact CD1-CG2 4.46Å; I345-V362 HydrophobicContact CG1-CG1 4.05Å; A348-V362 HydrophobicContact CB-CG1 3.99Å; V362-M364 HydrophobicContact CB-CE 4.26Å; V362-M364 HydrophobicContact CB-SD 4.13Å; V362-M364 HydrophobicContact CG2-CE 3.51Å; V362-M364 HydrophobicContact CG2-SD 3.96Å
363V98.7Very high94.2Very high14 Ų1458.4 Ų58.49%0.08530%0.296CS..EExtended strand (participates in β ladder)trans-98.2119.7-178.5-179.10000109.2A36 Y339 Y340 F342A36-V363 HydrophobicContact CB-CG2 4.4Å; Y339-V363 HydrophobicContact CD1-CG2 3.91Å; Y339-V363 HydrophobicContact CG-CG2 4.39Å; Y340-V363 PolarHBondContact O-N 2.67Å; F342-V363 WeakPolarHBondContact CB-O 3.34Å; F342-V363 PolarHBondContact N-O 2.71Å; F342-V363 VanDerWaalsContact N-O 3.13Å
364M98.4Very high94.2Very high18 Ų1858.7 Ų58.79%0.08930%0.297CS..SBendtrans-91.9-43.9-175.7-8043.1167.400110.2I34 V35 S138 F139 S140 F342 V362I34-M364 HydrophobicContact CB-CB 4.45Å; I34-M364 HydrophobicContact CB-CG 4.42Å; I34-M364 HydrophobicContact CG2-CB 4.17Å; I34-M364 HydrophobicContact CG2-CG 3.92Å; I34-M364 VanDerWaalsContact O-CB 3.31Å; I34-M364 WeakPolarHBondContact O-CB 3.31Å; V35-M364 PolarHBondContact O-N 2.83Å; S138-M364 WeakPolarHBondContact O-CE 3.34Å; F139-M364 HydrophobicContact CD1-CE 4.22Å; S140-M364 WeakPolarHBondContact O-CG 3.35Å; F342-M364 HydrophobicContact CB-SD 4.03Å; F342-M364 HydrophobicContact CD1-CG 4.35Å; F342-M364 HydrophobicContact CD2-CE 3.6Å; F342-M364 HydrophobicContact CD2-CG 4.45Å; F342-M364 HydrophobicContact CD2-SD 3.77Å; F342-M364 HydrophobicContact CE2-CE 3.68Å; F342-M364 HydrophobicContact CE2-SD 4.38Å; F342-M364 HydrophobicContact CG-CE 4.28Å; F342-M364 HydrophobicContact CG-CG 4.25Å; F342-M364 HydrophobicContact CG-SD 3.91Å; F342-M364 HydrophobicContact CZ-CE 4.4Å; V362-M364 HydrophobicContact CB-CE 4.26Å; V362-M364 HydrophobicContact CB-SD 4.13Å; V362-M364 HydrophobicContact CG2-CE 3.51Å; V362-M364 HydrophobicContact CG2-SD 3.96Å
365D97.7Very high94.3Very high18 Ų1857.2 Ų57.210%0.09628%0.281CS..  trans-98.495177.9-168.3-7.4000110.2K33 V35 D367 Y368K33-D365 WeakPolarHBondContact CE-OD2 3.37Å; K33-D365 IonicContact NZ-OD1 3.86Å; K33-D365 IonicContact NZ-OD2 2.7Å; K33-D365 PolarHBondContact NZ-OD2 2.79Å; V35-D365 HydrophobicContact CG2-CB 4.36Å; V35-D365 PolarHBondContact O-N 2.97Å; V35-D365 VanDerWaalsContact O-N 3.11Å; D365-D367 PolarHBondContact O-N 3.34Å; D365-D367 PolarHBondContact OD1-N 3.24Å; D365-D367 VanDerWaalsContact OD1-N 3.09Å; D365-Y368 WeakPolarHBondContact O-CB 3.22Å; D365-Y368 PolarHBondContact O-N 3.09Å; D365-Y368 PolarHBondContact OD1-N 2.7Å
366K94.7Very high94.7Very high106 Ų10659.9 Ų59.946%0.46129%0.291SS..THydrogen-bonded Turntrans-68.6-18.6177.9-62.9-172.1-175-173.10112.8D341 E343D341-K366 VanDerWaalsContact CG-NZ 3.3Å; D341-K366 IonicContact OD2-NZ 2.81Å; D341-K366 PolarHBondContact OD2-NZ 2.63Å; E343-K366 WeakPolarHBondContact OE2-CE 3.29Å; E343-K366 IonicContact OE2-NZ 2.63Å; E343-K366 PolarHBondContact OE2-NZ 2.82Å
367D96Very high94.9Very high135 Ų13555.3 Ų55.372%0.72227%0.27SS*.THydrogen-bonded Turntrans-89.1-10.9-179-59.4-41.6000112D365 Q369D365-D367 PolarHBondContact O-N 3.34Å; D365-D367 PolarHBondContact OD1-N 3.24Å; D365-D367 VanDerWaalsContact OD1-N 3.09Å; D367-Q369 PolarHBondContact O-N 3.04Å; D367-Q369 PolarHBondContact O-NE2 2.79Å
368Y97Very high94.9Very high21 Ų2158.3 Ų58.38%0.08228%0.284CS..  trans-57.5123.8178.2176.6-102.3000111.5V35 I65 L159 R160 D365 P370V35-Y368 HydrophobicContact CB-CG 4.43Å; V35-Y368 HydrophobicContact CG1-CD1 3.52Å; V35-Y368 HydrophobicContact CG1-CD2 3.95Å; V35-Y368 HydrophobicContact CG1-CE1 4Å; V35-Y368 HydrophobicContact CG1-CE2 4.4Å; V35-Y368 HydrophobicContact CG1-CG 3.48Å; V35-Y368 VanDerWaalsContact CG1-CG 3.48Å; V35-Y368 HydrophobicContact CG2-CD2 3.72Å; V35-Y368 HydrophobicContact CG2-CE2 4.23Å; V35-Y368 HydrophobicContact CG2-CG 4.03Å; I65-Y368 HydrophobicContact CD1-CD2 4.42Å; I65-Y368 HydrophobicContact CD1-CE2 4.39Å; L159-Y368 HydrophobicContact CB-CE1 4.15Å; L159-Y368 HydrophobicContact CB-CE2 4.27Å; L159-Y368 VanDerWaalsContact CB-OH 3.28Å; L159-Y368 WeakPolarHBondContact CB-OH 3.37Å; L159-Y368 PolarHBondContact N-OH 3.36Å; R160-Y368 HydrophobicContact CG-CD1 3.85Å; R160-Y368 HydrophobicContact CG-CE1 4.07Å; D365-Y368 WeakPolarHBondContact O-CB 3.22Å; D365-Y368 PolarHBondContact O-N 3.09Å; D365-Y368 PolarHBondContact OD1-N 2.7Å; Y368-P370 HydrophobicContact CE1-CB 4.07Å
369Q94Very high94.8Very high153 Ų15360.5 Ų60.572%0.71529%0.294SS*.  trans-100.2112.2175.1-58.8-56.7-61.200108.9D367D367-Q369 PolarHBondContact O-N 3.04Å; D367-Q369 PolarHBondContact O-NE2 2.79Å
370P92.3Very high94.6Very high44 Ų4464.7 Ų64.729%0.28632%0.315SS..  trans-63.1154.5175.229-36000110.7D158 Y368D158-P370 HydrophobicContact CB-CB 3.97Å; Y368-P370 HydrophobicContact CE1-CB 4.07Å
371P90.1Very high94.3Very high51 Ų5170.1 Ų70.133%0.33134%0.341SS..  trans-57.2147.8171.724.7-31000110.6D156D156-P371 VanDerWaalsContact C-CG 3.47Å
372K74.7Confident93.9Very high281 Ų28176.5 Ų76.5100%1.22237%0.372SS*.  trans-73.50-174.4-76.1-171.1177.9-1780113.9

Retrieved 372 of 372 residues in 2485.3 ms (Link to these results)

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