A0A087XU74_POEFO Loading...

Hydroxyacylglutathione hydrolase like

AlphaFold DB , UniProt , Accession A0A087XU74, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 290 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
1M89.2Confident96.3Very high26 Ų2658.3 Ų58.313%0.12830%0.297CS..  0128.70-179178.469.200110.1V3 V17 V119 E121 A129M1-V3 HydrophobicContact CE-CG2 4.19Å; M1-V17 HydrophobicContact CG-CG1 3.58Å; M1-V17 HydrophobicContact SD-CG1 3.41Å; M1-V17 WeakPolarHBondContact SD-CG1 3.33Å; M1-V119 HydrophobicContact CE-CG1 4.4Å; M1-V119 HydrophobicContact SD-CB 4.25Å; M1-V119 HydrophobicContact SD-CG1 3.48Å; M1-V119 WeakPolarHBondContact SD-CG1 3.32Å; M1-E121 WeakPolarHBondContact CA-OE1 3.35Å; M1-E121 HydrophobicContact CB-CG 4.07Å; M1-E121 WeakPolarHBondContact CB-OE1 3.44Å; M1-E121 PolarHBondContact N-OE1 2.93Å; M1-E121 PolarHBondContact N-OE2 2.87Å; M1-A129 HydrophobicContact CE-CB 3.76Å
2K94.8Very high96.5Very high109 Ų10954.1 Ų54.147%0.47428%0.276SS..EExtended strand (participates in β ladder)trans-111.6127174.1-178.1176.3-177.9175.20111I18 E20K2-I18 HydrophobicContact CB-CB 4.39Å; K2-I18 PolarHBondContact N-O 2.79Å; K2-I18 PolarHBondContact O-N 3.31Å; K2-E20 HydrophobicContact CB-CG 4.07Å
3V97.8Very high96.7Very high34 Ų3450.4 Ų50.421%0.20626%0.257CS..EExtended strand (participates in β ladder)trans-103126.3173-175.60000109.6M1 Y15 L16 F131 F170M1-V3 HydrophobicContact CE-CG2 4.19Å; V3-Y15 HydrophobicContact CG1-CD1 4.22Å; V3-L16 WeakPolarHBondContact CA-O 3.31Å; V3-F131 HydrophobicContact CG1-CE1 3.95Å; V3-F131 HydrophobicContact CG1-CZ 3.94Å; V3-F131 HydrophobicContact CG2-CZ 4.08Å; V3-F170 HydrophobicContact CB-CE1 4.12Å; V3-F170 HydrophobicContact CB-CE2 4.19Å; V3-F170 HydrophobicContact CB-CZ 3.69Å; V3-F170 HydrophobicContact CG1-CD1 4.04Å; V3-F170 HydrophobicContact CG1-CD2 4.47Å; V3-F170 HydrophobicContact CG1-CE1 3.6Å; V3-F170 HydrophobicContact CG1-CE2 4.09Å; V3-F170 HydrophobicContact CG1-CG 4.44Å; V3-F170 HydrophobicContact CG1-CZ 3.63Å; V3-F170 HydrophobicContact CG2-CE2 4.09Å; V3-F170 HydrophobicContact CG2-CZ 4.09Å
4K98.3Very high96.8Very high41 Ų4146.8 Ų46.818%0.17824%0.238CC..EExtended strand (participates in β ladder)trans-108122.9175.5-169.4-179.3-166.4178.10110.4I6 Y15 L16 I18 I39 E43K4-I6 HydrophobicContact CG-CG1 4.48Å; K4-Y15 WeakPolarHBondContact O-CA 3.46Å; K4-L16 HydrophobicContact CB-CB 4.21Å; K4-L16 PolarHBondContact N-O 3.41Å; K4-L16 PolarHBondContact O-N 3.44Å; K4-I18 HydrophobicContact CB-CD1 4.45Å; K4-I39 HydrophobicContact CD-CG2 4.18Å; K4-E43 IonicContact NZ-OE1 3.69Å; K4-E43 PolarHBondContact NZ-OE1 3.46Å; K4-E43 IonicContact NZ-OE2 3.44Å; K4-E43 PolarHBondContact NZ-OE2 2.78Å
5V98.5Very high97Very high40 Ų4043.8 Ų43.824%0.24222%0.223CC..EExtended strand (participates in β ladder)trans-86.5132177.2-175.10000109.5Y13 Y15 F170 P209 V211V5-Y13 HydrophobicContact CG1-CD1 3.46Å; V5-Y13 VanDerWaalsContact CG1-CD1 3.46Å; V5-Y13 HydrophobicContact CG1-CE1 3.74Å; V5-Y13 HydrophobicContact CG1-CG 4.08Å; V5-Y15 HydrophobicContact CB-CD1 4.42Å; V5-Y15 HydrophobicContact CB-CE1 4.29Å; V5-Y15 HydrophobicContact CG1-CD1 4.48Å; V5-Y15 HydrophobicContact CG1-CE1 3.97Å; V5-Y15 HydrophobicContact CG2-CD1 4.15Å; V5-Y15 HydrophobicContact CG2-CE1 3.95Å; V5-F170 HydrophobicContact CG2-CD1 4.34Å; V5-F170 HydrophobicContact CG2-CE1 4.01Å; V5-P209 HydrophobicContact CG1-CB 4.01Å; V5-P209 HydrophobicContact CG1-CG 4.02Å; V5-V211 HydrophobicContact CB-CG2 4.43Å; V5-V211 HydrophobicContact CG1-CG2 3.6Å; V5-V211 HydrophobicContact CG2-CG2 3.95Å
6I98.3Very high97.1Very high5 Ų541.1 Ų41.13%0.02621%0.209CC..EExtended strand (participates in β ladder)trans-130.9101.8179-49.4163.8000108.3K4 I8 M14 L16 R35 L36 I39K4-I6 HydrophobicContact CG-CG1 4.48Å; I6-I8 HydrophobicContact CG2-CG2 4.2Å; I6-I8 PolarHBondContact O-N 2.81Å; I6-M14 HydrophobicContact CB-CE 4.03Å; I6-M14 HydrophobicContact CB-CG 3.82Å; I6-M14 WeakPolarHBondContact CB-O 3.27Å; I6-M14 HydrophobicContact CD1-CE 3.84Å; I6-M14 HydrophobicContact CD1-CG 4.26Å; I6-M14 HydrophobicContact CG2-CE 3.58Å; I6-M14 HydrophobicContact CG2-CG 4.28Å; I6-M14 PolarHBondContact N-O 3.27Å; I6-M14 PolarHBondContact O-N 3.35Å; I6-L16 HydrophobicContact CD1-CD1 3.98Å; I6-L16 HydrophobicContact CD1-CG 4.12Å; I6-R35 HydrophobicContact CG2-CG 4.48Å; I6-L36 HydrophobicContact CD1-CD1 4.18Å; I6-I39 HydrophobicContact CD1-CD1 3.63Å; I6-I39 HydrophobicContact CG1-CD1 3.97Å; I6-I39 HydrophobicContact CG2-CD1 4.04Å
7S97.6Very high97.1Very high55 Ų5538.7 Ų38.739%0.38520%0.197SC..EExtended strand (participates in β ladder)trans-64.3128.8174.4-38.70000109.9Y13 R35S7-Y13 WeakPolarHBondContact OG-CE1 3.41Å; S7-R35 PolarHBondContact O-NH1 3.34Å; S7-R35 PolarHBondContact O-NH2 3.35Å
8I97.5Very high97.1Very high4 Ų437 Ų372%0.02119%0.188CC..EExtended strand (participates in β ladder)trans-137162.8-177.450.1155.6000109.8I6 E10 N12 M14 A31 V32I6-I8 HydrophobicContact CG2-CG2 4.2Å; I6-I8 PolarHBondContact O-N 2.81Å; I8-E10 PolarHBondContact O-N 3.02Å; I8-N12 HydrophobicContact CD1-CB 4.1Å; I8-N12 HydrophobicContact CG1-CB 3.81Å; I8-N12 WeakPolarHBondContact CG1-O 3.43Å; I8-N12 PolarHBondContact N-O 2.83Å; I8-N12 PolarHBondContact O-N 3.04Å; I8-N12 VanDerWaalsContact O-N 3.13Å; I8-N12 VanDerWaalsContact O-O 3.08Å; I8-M14 HydrophobicContact CD1-CB 3.94Å; I8-M14 HydrophobicContact CD1-CG 4.14Å; I8-M14 HydrophobicContact CD1-SD 4.3Å; I8-M14 HydrophobicContact CG1-CB 4.42Å; I8-M14 HydrophobicContact CG1-CG 4.35Å; I8-M14 HydrophobicContact CG2-CE 3.89Å; I8-M14 HydrophobicContact CG2-CG 4.02Å; I8-M14 HydrophobicContact CG2-SD 3.99Å; I8-A31 HydrophobicContact CD1-CB 3.8Å; I8-V32 HydrophobicContact CB-CB 4.38Å; I8-V32 HydrophobicContact CB-CG2 3.65Å; I8-V32 HydrophobicContact CD1-CG2 4.11Å; I8-V32 HydrophobicContact CG2-CB 3.87Å; I8-V32 HydrophobicContact CG2-CG2 3.69Å
9L96Very high97Very high80 Ų8035.3 Ų35.342%0.41918%0.18SC..THydrogen-bonded Turntrans55.6-137.5-178.1-66.8175.6000111.4N12 W57 D58L9-N12 HydrophobicContact CB-CB 4.37Å; L9-N12 HydrophobicContact CD1-CB 4.46Å; L9-W57 HydrophobicContact CD1-CZ3 4.18Å; L9-W57 HydrophobicContact CD2-CZ3 4.46Å; L9-D58 HydrophobicContact CD1-CB 3.67Å
10E95.4Very high96.7Very high194 Ų19438.5 Ų38.591%0.90719%0.194SC*.THydrogen-bonded Turntrans-86.5-49.9177.4-174.1172.6178.800110.9I8I8-E10 PolarHBondContact O-N 3.02Å
11D96.6Very high96.5Very high53 Ų5345.1 Ų45.128%0.28322%0.224SC..THydrogen-bonded Turntrans-1415.3-175.566.3-0.8000114.3H173 E174D11-H173 CarbonylContact O-C 3.32Å; D11-H173 VanDerWaalsContact O-CA 3.23Å; D11-H173 WeakPolarHBondContact O-CA 3.27Å; D11-H173 IonicContact OD1-CE1 2.83Å; D11-H173 IonicContact OD1-CG 3.83Å; D11-H173 IonicContact OD1-ND1 3.47Å; D11-H173 PolarHBondContact OD1-ND1 2.8Å; D11-H173 IonicContact OD2-ND1 3.69Å; D11-E174 HydrophobicContact CB-CB 4.38Å; D11-E174 PolarHBondContact O-N 3.28Å
12N98.4Very high96.7Very high8 Ų845.8 Ų45.84%0.04323%0.231CC..EExtended strand (participates in β ladder)trans-76.3153.2-178.5-68.186.2000112.2I8 L9 D58 G172 H173I8-N12 HydrophobicContact CD1-CB 4.1Å; I8-N12 HydrophobicContact CG1-CB 3.81Å; I8-N12 WeakPolarHBondContact CG1-O 3.43Å; I8-N12 PolarHBondContact N-O 2.83Å; I8-N12 PolarHBondContact O-N 3.04Å; I8-N12 VanDerWaalsContact O-N 3.13Å; I8-N12 VanDerWaalsContact O-O 3.08Å; L9-N12 HydrophobicContact CB-CB 4.37Å; L9-N12 HydrophobicContact CD1-CB 4.46Å; N12-D58 PolarHBondContact ND2-OD2 2.91Å; N12-G172 CarbonylContact C-O 3.59Å; N12-G172 WeakPolarHBondContact CA-O 3.42Å; N12-H173 VanDerWaalsContact CG-CE1 3.48Å; N12-H173 PolarHBondContact ND2-CE1 3.01Å; N12-H173 PolarHBondContact ND2-NE2 2.77Å
13Y98.8Very high96.8Very high6 Ų645 Ų452%0.02423%0.228CC..EExtended strand (participates in β ladder)trans-112.2138.1164-66.1-56.7000111.3V5 S7 Y15 G172 E174 P209 V211V5-Y13 HydrophobicContact CG1-CD1 3.46Å; V5-Y13 VanDerWaalsContact CG1-CD1 3.46Å; V5-Y13 HydrophobicContact CG1-CE1 3.74Å; V5-Y13 HydrophobicContact CG1-CG 4.08Å; S7-Y13 WeakPolarHBondContact OG-CE1 3.41Å; Y13-Y15 VanDerWaalsContact CB-CZ 3.47Å; Y13-Y15 WeakPolarHBondContact CB-OH 3.07Å; Y13-Y15 HydrophobicContact CG-CE1 4.41Å; Y13-G172 PolarHBondContact N-O 3.47Å; Y13-E174 HydrophobicContact CE2-CB 3.92Å; Y13-E174 WeakPolarHBondContact OH-CB 3.23Å; Y13-E174 WeakPolarHBondContact OH-CG 3.49Å; Y13-E174 PolarHBondContact OH-OE2 3.26Å; Y13-P209 HydrophobicContact CE1-CB 3.82Å; Y13-P209 HydrophobicContact CE1-CG 4.06Å; Y13-P209 VanDerWaalsContact OH-CA 3.26Å; Y13-P209 WeakPolarHBondContact OH-CA 3.26Å; Y13-P209 VanDerWaalsContact OH-CB 3.3Å; Y13-P209 WeakPolarHBondContact OH-CB 3.33Å; Y13-V211 HydrophobicContact CD1-CG2 4.49Å; Y13-V211 HydrophobicContact CD2-CG1 4.11Å; Y13-V211 HydrophobicContact CD2-CG2 3.86Å; Y13-V211 HydrophobicContact CE1-CG2 4.34Å; Y13-V211 HydrophobicContact CE2-CB 4.43Å; Y13-V211 HydrophobicContact CE2-CG1 3.91Å; Y13-V211 HydrophobicContact CE2-CG2 3.64Å; Y13-V211 HydrophobicContact CG-CG2 4.28Å
14M98.5Very high96.7Very high0 Ų046.3 Ų46.30%023%0.232CC..EExtended strand (participates in β ladder)trans-113.1154.315570.6-179.2-175.300109.3I6 I8 V28 D29 P30 R35 L36I6-M14 HydrophobicContact CB-CE 4.03Å; I6-M14 HydrophobicContact CB-CG 3.82Å; I6-M14 WeakPolarHBondContact CB-O 3.27Å; I6-M14 HydrophobicContact CD1-CE 3.84Å; I6-M14 HydrophobicContact CD1-CG 4.26Å; I6-M14 HydrophobicContact CG2-CE 3.58Å; I6-M14 HydrophobicContact CG2-CG 4.28Å; I6-M14 PolarHBondContact N-O 3.27Å; I6-M14 PolarHBondContact O-N 3.35Å; I8-M14 HydrophobicContact CD1-CB 3.94Å; I8-M14 HydrophobicContact CD1-CG 4.14Å; I8-M14 HydrophobicContact CD1-SD 4.3Å; I8-M14 HydrophobicContact CG1-CB 4.42Å; I8-M14 HydrophobicContact CG1-CG 4.35Å; I8-M14 HydrophobicContact CG2-CE 3.89Å; I8-M14 HydrophobicContact CG2-CG 4.02Å; I8-M14 HydrophobicContact CG2-SD 3.99Å; M14-V28 WeakPolarHBondContact CA-O 3.41Å; M14-V28 WeakPolarHBondContact CB-O 3.39Å; M14-D29 WeakPolarHBondContact CB-O 3.21Å; M14-P30 HydrophobicContact SD-CB 4.42Å; M14-R35 HydrophobicContact CE-CB 4.26Å; M14-R35 HydrophobicContact CE-CG 4.35Å; M14-L36 HydrophobicContact CE-CB 3.81Å; M14-L36 HydrophobicContact CE-CD1 4.07Å; M14-L36 HydrophobicContact SD-CB 4.28Å; M14-L36 HydrophobicContact SD-CD1 4.21Å
15Y98.9Very high96.7Very high2 Ų244.3 Ų44.31%0.00822%0.223CC..EExtended strand (participates in β ladder)trans-123.5147.2-175.2-54.4-77.1000112V3 K4 V5 Y13 A27 V28 F131 F170 C171 V211V3-Y15 HydrophobicContact CG1-CD1 4.22Å; K4-Y15 WeakPolarHBondContact O-CA 3.46Å; V5-Y15 HydrophobicContact CB-CD1 4.42Å; V5-Y15 HydrophobicContact CB-CE1 4.29Å; V5-Y15 HydrophobicContact CG1-CD1 4.48Å; V5-Y15 HydrophobicContact CG1-CE1 3.97Å; V5-Y15 HydrophobicContact CG2-CD1 4.15Å; V5-Y15 HydrophobicContact CG2-CE1 3.95Å; Y13-Y15 VanDerWaalsContact CB-CZ 3.47Å; Y13-Y15 WeakPolarHBondContact CB-OH 3.07Å; Y13-Y15 HydrophobicContact CG-CE1 4.41Å; Y15-A27 CarbonylContact O-C 3.56Å; Y15-A27 VanDerWaalsContact O-CA 3.28Å; Y15-A27 WeakPolarHBondContact O-CA 3.4Å; Y15-V28 HydrophobicContact CD2-CB 4.2Å; Y15-V28 HydrophobicContact CD2-CG1 4.47Å; Y15-V28 PolarHBondContact N-O 2.65Å; Y15-V28 VanDerWaalsContact N-O 3.08Å; Y15-V28 PolarHBondContact O-N 2.99Å; Y15-F131 HydrophobicContact CD1-CE1 4.25Å; Y15-F131 AromaticContact CD2-CD1 3.54Å; Y15-F131 HydrophobicContact CD2-CD1 3.54Å; Y15-F131 AromaticContact CD2-CE1 3.8Å; Y15-F131 HydrophobicContact CD2-CE1 3.8Å; Y15-F131 HydrophobicContact CE2-CD1 4.07Å; Y15-F131 AromaticContact CG-CD1 3.89Å; Y15-F131 HydrophobicContact CG-CD1 3.89Å; Y15-F131 AromaticContact CG-CE1 3.61Å; Y15-F131 HydrophobicContact CG-CE1 3.61Å; Y15-F170 HydrophobicContact CD1-CB 4.46Å; Y15-F170 AromaticContact CD1-CD1 3.9Å; Y15-F170 HydrophobicContact CD1-CD1 3.9Å; Y15-F170 HydrophobicContact CD1-CG 4.49Å; Y15-F170 HydrophobicContact CD2-CB 4.45Å; Y15-F170 HydrophobicContact CE1-CB 3.99Å; Y15-F170 AromaticContact CE1-CD1 3.52Å; Y15-F170 HydrophobicContact CE1-CD1 3.52Å; Y15-F170 HydrophobicContact CE1-CE1 4.43Å; Y15-F170 HydrophobicContact CE1-CG 4.18Å; Y15-F170 HydrophobicContact CE2-CB 3.94Å; Y15-C171 PolarHBondContact OH-N 3.15Å; Y15-C171 PolarHBondContact OH-O 3.42Å; Y15-V211 HydrophobicContact CE1-CG2 4.23Å
16L98.5Very high96.7Very high0 Ų042.5 Ų42.50%021%0.212CC..EExtended strand (participates in β ladder)trans-114.2116.3163.1-81.6172000109V3 K4 I6 I18 A25 I26 A27 L36 I39 V40 L45 L47V3-L16 WeakPolarHBondContact CA-O 3.31Å; K4-L16 HydrophobicContact CB-CB 4.21Å; K4-L16 PolarHBondContact N-O 3.41Å; K4-L16 PolarHBondContact O-N 3.44Å; I6-L16 HydrophobicContact CD1-CD1 3.98Å; I6-L16 HydrophobicContact CD1-CG 4.12Å; L16-I18 HydrophobicContact CB-CD1 4.47Å; L16-I18 HydrophobicContact CB-CG1 4.28Å; L16-A25 HydrophobicContact CD2-CB 4.15Å; L16-I26 WeakPolarHBondContact CA-O 3.08Å; L16-A27 HydrophobicContact CD2-CB 4.09Å; L16-L36 HydrophobicContact CD1-CD1 3.87Å; L16-L36 HydrophobicContact CD2-CD1 3.58Å; L16-L36 HydrophobicContact CD2-CG 4.34Å; L16-L36 HydrophobicContact CG-CD1 3.54Å; L16-I39 HydrophobicContact CD1-CB 4.44Å; L16-I39 HydrophobicContact CD1-CG2 3.69Å; L16-V40 HydrophobicContact CD1-CG2 4.14Å; L16-V40 HydrophobicContact CD2-CG2 4.26Å; L16-L45 HydrophobicContact CD1-CD1 4.45Å; L16-L47 HydrophobicContact CD2-CD1 4.27Å
17V98.3Very high96.7Very high1 Ų142.2 Ų42.21%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-91.3118.3169.8-168.50000107.7M1 A25 I26 V28 I100 V119 F131M1-V17 HydrophobicContact CG-CG1 3.58Å; M1-V17 HydrophobicContact SD-CG1 3.41Å; M1-V17 WeakPolarHBondContact SD-CG1 3.33Å; V17-A25 CarbonylContact O-C 3.47Å; V17-A25 WeakPolarHBondContact O-CA 3.48Å; V17-I26 HydrophobicContact CB-CB 4.33Å; V17-I26 PolarHBondContact N-O 2.7Å; V17-I26 PolarHBondContact O-N 3.26Å; V17-V28 HydrophobicContact CG2-CG2 4.31Å; V17-I100 HydrophobicContact CG1-CD1 3.95Å; V17-V119 HydrophobicContact CG1-CG1 4.3Å; V17-F131 HydrophobicContact CG2-CE1 4.25Å; V17-F131 HydrophobicContact CG2-CE2 3.6Å; V17-F131 HydrophobicContact CG2-CZ 3.34Å
18I97.4Very high96.8Very high8 Ų839.6 Ų39.64%0.04119%0.192CC..EExtended strand (participates in β ladder)trans-116.5124.8-170.1-57.1166.9000108.8K2 K4 L16 A25 L45K2-I18 HydrophobicContact CB-CB 4.39Å; K2-I18 PolarHBondContact N-O 2.79Å; K2-I18 PolarHBondContact O-N 3.31Å; K4-I18 HydrophobicContact CB-CD1 4.45Å; L16-I18 HydrophobicContact CB-CD1 4.47Å; L16-I18 HydrophobicContact CB-CG1 4.28Å; I18-A25 HydrophobicContact CG1-CB 4.24Å; I18-L45 HydrophobicContact CD1-CD1 3.68Å; I18-L45 HydrophobicContact CD1-CD2 4.44Å; I18-L45 HydrophobicContact CG1-CD1 4.02Å; I18-L45 HydrophobicContact CG2-CD2 3.81Å
19E94.4Very high96.9Very high5 Ų539.6 Ų39.62%0.02319%0.192CC..  trans-84.5113.4165.6-161.5-77.8113.600107.8Q21 S22 K23 Q24 N98 S99 I100E19-Q21 VanDerWaalsContact C-N 3.34Å; E19-Q21 PolarHBondContact O-N 3.32Å; E19-Q21 VanDerWaalsContact OE1-CB 3.24Å; E19-Q21 WeakPolarHBondContact OE1-CB 3.31Å; E19-Q21 PolarHBondContact OE1-N 3.13Å; E19-S22 WeakPolarHBondContact OE2-CA 3.39Å; E19-S22 WeakPolarHBondContact OE2-CB 3.27Å; E19-S22 PolarHBondContact OE2-N 3.48Å; E19-S22 PolarHBondContact OE2-OG 3.04Å; E19-K23 VanDerWaalsContact O-CA 3.31Å; E19-K23 WeakPolarHBondContact O-CA 3.27Å; E19-K23 PolarHBondContact O-N 3.17Å; E19-Q24 PolarHBondContact N-O 3.37Å; E19-N98 PolarHBondContact OE2-ND2 3.42Å; E19-S99 WeakPolarHBondContact CG-OG 3.23Å; E19-I100 HydrophobicContact CB-CD1 3.73Å; E19-I100 HydrophobicContact CB-CG1 4.08Å; E19-I100 HydrophobicContact CG-CD1 4.43Å; E19-I100 HydrophobicContact CG-CG1 4.24Å
20E91.2Very high97Very high98 Ų9835.8 Ų35.846%0.45817%0.172SC..THydrogen-bonded Turntrans-72.4-25.8-163.7-68-166.1105.200114K2 K23K2-E20 HydrophobicContact CB-CG 4.07Å; E20-K23 WeakPolarHBondContact O-CD 3.44Å; E20-K23 WeakPolarHBondContact O-CE 3.41Å; E20-K23 PolarHBondContact O-NZ 3.38Å
21Q91.7Very high97.1Very high179 Ų17926.6 Ų26.684%0.83613%0.129SC*.THydrogen-bonded Turntrans-79.7-53.5-177.4-56.6-176.2400111.7E19 K23E19-Q21 VanDerWaalsContact C-N 3.34Å; E19-Q21 PolarHBondContact O-N 3.32Å; E19-Q21 VanDerWaalsContact OE1-CB 3.24Å; E19-Q21 WeakPolarHBondContact OE1-CB 3.31Å; E19-Q21 PolarHBondContact OE1-N 3.13Å; Q21-K23 VanDerWaalsContact C-N 3.35Å
22S94.4Very high97.2Very high40 Ų4024.8 Ų24.828%0.2812%0.12SC..THydrogen-bonded Turntrans-81.7-12.5179.872.30000114E19 Q24 N98E19-S22 WeakPolarHBondContact OE2-CA 3.39Å; E19-S22 WeakPolarHBondContact OE2-CB 3.27Å; E19-S22 PolarHBondContact OE2-N 3.48Å; E19-S22 PolarHBondContact OE2-OG 3.04Å; S22-Q24 PolarHBondContact O-N 2.95Å; S22-Q24 WeakPolarHBondContact OG-CB 3.47Å; S22-Q24 WeakPolarHBondContact OG-CG 3.45Å; S22-Q24 PolarHBondContact OG-N 3.33Å; S22-N98 PolarHBondContact OG-ND2 3.25Å
23K96.3Very high97.1Very high92 Ų9225.3 Ų25.340%0.412%0.124SC..  trans61.314.3-171.5-53.1-58.8-175.8-157.60113.9E19 E20 Q21 L45 F46E19-K23 VanDerWaalsContact O-CA 3.31Å; E19-K23 WeakPolarHBondContact O-CA 3.27Å; E19-K23 PolarHBondContact O-N 3.17Å; E20-K23 WeakPolarHBondContact O-CD 3.44Å; E20-K23 WeakPolarHBondContact O-CE 3.41Å; E20-K23 PolarHBondContact O-NZ 3.38Å; Q21-K23 VanDerWaalsContact C-N 3.35Å; K23-L45 HydrophobicContact CB-CD2 4.24Å; K23-L45 HydrophobicContact CD-CD2 4.36Å; K23-L45 CarbonylContact O-C 3.6Å; K23-L45 WeakPolarHBondContact O-CA 3.21Å; K23-F46 HydrophobicContact CB-CD2 4.11Å; K23-F46 HydrophobicContact CB-CE2 4.29Å; K23-F46 PolarHBondContact O-N 2.86Å
24Q96.4Very high97Very high61 Ų6131.2 Ų31.229%0.28515%0.152SC..EExtended strand (participates in β ladder)trans-67.8144.1169.8-71.4-178.3-8.800110.4E19 S22 F46 I48E19-Q24 PolarHBondContact N-O 3.37Å; S22-Q24 PolarHBondContact O-N 2.95Å; S22-Q24 WeakPolarHBondContact OG-CB 3.47Å; S22-Q24 WeakPolarHBondContact OG-CG 3.45Å; S22-Q24 PolarHBondContact OG-N 3.33Å; Q24-F46 CarbonylContact C-O 3.56Å; Q24-F46 WeakPolarHBondContact CA-O 3.13Å; Q24-I48 HydrophobicContact CB-CD1 3.88Å; Q24-I48 HydrophobicContact CB-CG1 4.26Å; Q24-I48 HydrophobicContact CB-CG2 4.33Å; Q24-I48 HydrophobicContact CG-CD1 4.3Å; Q24-I48 HydrophobicContact CG-CG2 3.98Å
25A97.8Very high97Very high0 Ų036.1 Ų36.10%017%0.17CC..EExtended strand (participates in β ladder)trans-137144-179.100000112.1L16 V17 I18 L45 F46 L47 I48L16-A25 HydrophobicContact CD2-CB 4.15Å; V17-A25 CarbonylContact O-C 3.47Å; V17-A25 WeakPolarHBondContact O-CA 3.48Å; I18-A25 HydrophobicContact CG1-CB 4.24Å; A25-L45 HydrophobicContact CB-CB 4.37Å; A25-L45 HydrophobicContact CB-CD1 4.45Å; A25-F46 PolarHBondContact N-O 3.49Å; A25-L47 WeakPolarHBondContact O-CA 3.33Å; A25-I48 VanDerWaalsContact O-CG1 3.26Å; A25-I48 WeakPolarHBondContact O-CG1 3.37Å; A25-I48 PolarHBondContact O-N 2.62Å
26I98.6Very high97Very high1 Ų136 Ų361%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-113.1129.3173.2-54.7165000107L16 V17 I48 A49 L51 F97 I100 V102L16-I26 WeakPolarHBondContact CA-O 3.08Å; V17-I26 HydrophobicContact CB-CB 4.33Å; V17-I26 PolarHBondContact N-O 2.7Å; V17-I26 PolarHBondContact O-N 3.26Å; I26-I48 HydrophobicContact CG1-CD1 4.45Å; I26-I48 HydrophobicContact CG1-CG1 4.36Å; I26-A49 WeakPolarHBondContact CA-O 3.04Å; I26-A49 HydrophobicContact CG1-CB 4.4Å; I26-A49 HydrophobicContact CG2-CB 4.17Å; I26-L51 HydrophobicContact CG2-CD1 3.85Å; I26-L51 HydrophobicContact CG2-CD2 4.45Å; I26-L51 HydrophobicContact CG2-CG 3.64Å; I26-F97 HydrophobicContact CD1-CB 3.83Å; I26-F97 HydrophobicContact CD1-CD2 3.33Å; I26-F97 HydrophobicContact CD1-CE2 3.98Å; I26-F97 HydrophobicContact CD1-CG 3.68Å; I26-F97 HydrophobicContact CG1-CB 4.41Å; I26-F97 HydrophobicContact CG1-CD2 4.23Å; I26-F97 HydrophobicContact CG1-CG 4.23Å; I26-I100 HydrophobicContact CD1-CB 4.37Å; I26-I100 HydrophobicContact CD1-CD1 4.21Å; I26-I100 HydrophobicContact CD1-CG2 3.89Å; I26-V102 HydrophobicContact CD1-CG2 4.43Å
27A98.8Very high96.9Very high0 Ų037.6 Ų37.60%018%0.178CC..EExtended strand (participates in β ladder)trans-92.9143.517300000111Y15 L16 P30 L36 L47 A49 V50 L51Y15-A27 CarbonylContact O-C 3.56Å; Y15-A27 VanDerWaalsContact O-CA 3.28Å; Y15-A27 WeakPolarHBondContact O-CA 3.4Å; L16-A27 HydrophobicContact CD2-CB 4.09Å; A27-P30 HydrophobicContact CB-CB 4.07Å; A27-P30 HydrophobicContact CB-CG 4.32Å; A27-L36 HydrophobicContact CB-CD1 4.06Å; A27-L36 HydrophobicContact CB-CD2 3.69Å; A27-L47 HydrophobicContact CB-CD1 3.72Å; A27-A49 PolarHBondContact N-O 3.47Å; A27-V50 HydrophobicContact CB-CG2 4.41Å; A27-V50 CarbonylContact O-C 3.48Å; A27-V50 VanDerWaalsContact O-CA 3.3Å; A27-V50 WeakPolarHBondContact O-CA 3.31Å; A27-L51 PolarHBondContact O-N 3.11Å
28V98.9Very high96.9Very high0 Ų043.5 Ų43.50%021%0.206CC..EExtended strand (participates in β ladder)trans-116.3127.9171.4-171.70000108.9M14 Y15 V17 L51 T53 F131M14-V28 WeakPolarHBondContact CA-O 3.41Å; M14-V28 WeakPolarHBondContact CB-O 3.39Å; Y15-V28 HydrophobicContact CD2-CB 4.2Å; Y15-V28 HydrophobicContact CD2-CG1 4.47Å; Y15-V28 PolarHBondContact N-O 2.65Å; Y15-V28 VanDerWaalsContact N-O 3.08Å; Y15-V28 PolarHBondContact O-N 2.99Å; V17-V28 HydrophobicContact CG2-CG2 4.31Å; V28-L51 WeakPolarHBondContact CA-O 3.39Å; V28-L51 HydrophobicContact CG2-CB 4.32Å; V28-L51 HydrophobicContact CG2-CD1 4.42Å; V28-T53 HydrophobicContact CG1-CG2 4.17Å; V28-F131 HydrophobicContact CB-CD1 4.19Å; V28-F131 HydrophobicContact CB-CG 4.4Å; V28-F131 HydrophobicContact CG1-CB 3.95Å; V28-F131 HydrophobicContact CG1-CD1 4.17Å; V28-F131 HydrophobicContact CG1-CG 4.1Å; V28-F131 HydrophobicContact CG2-CD1 3.9Å; V28-F131 HydrophobicContact CG2-CD2 4.07Å; V28-F131 HydrophobicContact CG2-CE1 4.15Å; V28-F131 HydrophobicContact CG2-CE2 4.32Å; V28-F131 HydrophobicContact CG2-CG 3.88Å; V28-F131 HydrophobicContact CG2-CZ 4.37Å
29D98.8Very high97Very high3 Ų343.8 Ų43.82%0.01621%0.207CC..SBendtrans47.456.2179.9-63.2-17.3000114.7M14 A31 L51 T52 T53 H59M14-D29 WeakPolarHBondContact CB-O 3.21Å; D29-A31 PolarHBondContact O-N 2.86Å; D29-L51 PolarHBondContact N-O 3.05Å; D29-T52 WeakPolarHBondContact OD1-CA 3.37Å; D29-T53 VanDerWaalsContact CG-OG1 3.31Å; D29-T53 PolarHBondContact OD1-N 3.04Å; D29-T53 PolarHBondContact OD1-OG1 2.82Å; D29-T53 WeakPolarHBondContact OD2-CB 3.44Å; D29-T53 VanDerWaalsContact OD2-CG2 3.22Å; D29-T53 WeakPolarHBondContact OD2-CG2 3.4Å; D29-T53 PolarHBondContact OD2-OG1 2.7Å; D29-H59 CarbonylContact C-O 3.54Å; D29-H59 HydrophobicContact CB-CB 3.95Å; D29-H59 IonicContact OD2-CE1 3.77Å; D29-H59 IonicContact OD2-CG 3.86Å; D29-H59 IonicContact OD2-ND1 3.63Å; D29-H59 PolarHBondContact OD2-ND1 3.05Å
30P98.3Very high97.1Very high0 Ų044.1 Ų44.10%021%0.21CC..  trans-79.362.3-16936.3-39.5000113.3M14 A27 V32 L36 V50 G62 L66M14-P30 HydrophobicContact SD-CB 4.42Å; A27-P30 HydrophobicContact CB-CB 4.07Å; A27-P30 HydrophobicContact CB-CG 4.32Å; P30-V32 PolarHBondContact O-N 3.06Å; P30-V32 VanDerWaalsContact O-N 3.1Å; P30-L36 HydrophobicContact CB-CD2 3.77Å; P30-V50 HydrophobicContact CG-CG1 3.6Å; P30-V50 HydrophobicContact CG-CG2 4.07Å; P30-G62 WeakPolarHBondContact O-CA 3.32Å; P30-L66 HydrophobicContact CB-CD1 3.62Å; P30-L66 HydrophobicContact CG-CD1 3.35Å
31A97.9Very high97.5Very high1 Ų148.3 Ų48.31%0.00823%0.226CC..  trans-67.2-14.7-173.300000114.3I8 D29 P33 D58 R61I8-A31 HydrophobicContact CD1-CB 3.8Å; D29-A31 PolarHBondContact O-N 2.86Å; A31-P33 WeakPolarHBondContact O-CD 3.34Å; A31-D58 WeakPolarHBondContact CB-O 3.36Å; A31-R61 HydrophobicContact CB-CG 3.91Å; A31-R61 VanDerWaalsContact O-CG 3.32Å; A31-R61 WeakPolarHBondContact O-CG 3.36Å; A31-R61 VanDerWaalsContact O-CZ 3.31Å; A31-R61 PolarHBondContact O-NE 3.28Å; A31-R61 PolarHBondContact O-NH2 2.86Å
32V98.3Very high97.8Very high15 Ų1547.4 Ų47.49%0.09122%0.215CC..SBendtrans-117.879.9174.5-173.40000109.5I8 P30 H34 R35 L36I8-V32 HydrophobicContact CB-CB 4.38Å; I8-V32 HydrophobicContact CB-CG2 3.65Å; I8-V32 HydrophobicContact CD1-CG2 4.11Å; I8-V32 HydrophobicContact CG2-CB 3.87Å; I8-V32 HydrophobicContact CG2-CG2 3.69Å; P30-V32 PolarHBondContact O-N 3.06Å; P30-V32 VanDerWaalsContact O-N 3.1Å; V32-H34 WeakPolarHBondContact CG1-CE1 3.45Å; V32-H34 PolarHBondContact O-N 2.88Å; V32-R35 HydrophobicContact CB-CB 4.4Å; V32-R35 HydrophobicContact CG1-CB 3.73Å; V32-R35 PolarHBondContact O-N 3.02Å; V32-L36 PolarHBondContact O-N 3.44Å
33P97.3Very high97.9Very high20 Ų2048.9 Ų48.913%0.1322%0.218CC..Hα-helixtrans-65.4-39.1-165.425.9-36.4000113.5A31 R35 L36 L37 A65 L66A31-P33 WeakPolarHBondContact O-CD 3.34Å; P33-R35 VanDerWaalsContact C-N 3.33Å; P33-R35 PolarHBondContact O-N 3.13Å; P33-L36 WeakPolarHBondContact O-CB 3.28Å; P33-L36 PolarHBondContact O-N 2.97Å; P33-L36 VanDerWaalsContact O-N 3.17Å; P33-L37 WeakPolarHBondContact O-CG 3.4Å; P33-L37 PolarHBondContact O-N 2.94Å; P33-A65 HydrophobicContact CB-CB 4.28Å; P33-A65 HydrophobicContact CG-CB 3.88Å; P33-L66 HydrophobicContact CB-CD1 4.29Å; P33-L66 HydrophobicContact CB-CD2 3.68Å; P33-L66 HydrophobicContact CB-CG 3.66Å
34H97.3Very high98Very high129 Ų12946.7 Ų46.760%0.59722%0.221SC*.Hα-helixtrans-60.4-40.1178.762.3-90.4000112.8V32 L37 E38V32-H34 WeakPolarHBondContact CG1-CE1 3.45Å; V32-H34 PolarHBondContact O-N 2.88Å; H34-L37 PolarHBondContact O-N 3.19Å; H34-E38 WeakPolarHBondContact O-CB 3.48Å; H34-E38 PolarHBondContact O-N 3.12Å
35R97.7Very high98.1Very high103 Ų10344.5 Ų44.539%0.38921%0.211SC..Hα-helixtrans-68.9-37.1177.9-175.1175-178.9-176.9-7.7111.4I6 S7 M14 V32 P33 I39I6-R35 HydrophobicContact CG2-CG 4.48Å; S7-R35 PolarHBondContact O-NH1 3.34Å; S7-R35 PolarHBondContact O-NH2 3.35Å; M14-R35 HydrophobicContact CE-CB 4.26Å; M14-R35 HydrophobicContact CE-CG 4.35Å; V32-R35 HydrophobicContact CB-CB 4.4Å; V32-R35 HydrophobicContact CG1-CB 3.73Å; V32-R35 PolarHBondContact O-N 3.02Å; P33-R35 VanDerWaalsContact C-N 3.33Å; P33-R35 PolarHBondContact O-N 3.13Å; R35-I39 HydrophobicContact CG-CD1 4.41Å; R35-I39 WeakPolarHBondContact O-CG1 3.35Å; R35-I39 PolarHBondContact O-N 2.83Å
36L98.1Very high98Very high0 Ų050.6 Ų50.60%024%0.238CC..Hα-helixtrans-60.8-51.8173.4-173.780.9000110.3I6 M14 L16 A27 P30 V32 P33 E38 I39 V40 L47 L66I6-L36 HydrophobicContact CD1-CD1 4.18Å; M14-L36 HydrophobicContact CE-CB 3.81Å; M14-L36 HydrophobicContact CE-CD1 4.07Å; M14-L36 HydrophobicContact SD-CB 4.28Å; M14-L36 HydrophobicContact SD-CD1 4.21Å; L16-L36 HydrophobicContact CD1-CD1 3.87Å; L16-L36 HydrophobicContact CD2-CD1 3.58Å; L16-L36 HydrophobicContact CD2-CG 4.34Å; L16-L36 HydrophobicContact CG-CD1 3.54Å; A27-L36 HydrophobicContact CB-CD1 4.06Å; A27-L36 HydrophobicContact CB-CD2 3.69Å; P30-L36 HydrophobicContact CB-CD2 3.77Å; V32-L36 PolarHBondContact O-N 3.44Å; P33-L36 WeakPolarHBondContact O-CB 3.28Å; P33-L36 PolarHBondContact O-N 2.97Å; P33-L36 VanDerWaalsContact O-N 3.17Å; L36-E38 VanDerWaalsContact C-N 3.34Å; L36-E38 PolarHBondContact O-N 2.9Å; L36-I39 WeakPolarHBondContact O-CB 3.26Å; L36-I39 PolarHBondContact O-N 2.8Å; L36-I39 VanDerWaalsContact O-N 3.15Å; L36-V40 HydrophobicContact CG-CG2 4.44Å; L36-V40 WeakPolarHBondContact O-CG2 3.45Å; L36-V40 PolarHBondContact O-N 2.87Å; L36-L47 HydrophobicContact CD2-CD1 4.43Å; L36-L47 HydrophobicContact CD2-CD2 3.86Å; L36-L66 HydrophobicContact CD2-CD1 3.99Å; L36-L66 HydrophobicContact CD2-CD2 4.06Å
37L98Very high98Very high33 Ų3351.3 Ų51.317%0.17324%0.242CC..Hα-helixtrans-65.6-34.5-177.3-67.7177.5000112.8P33 H34 V40 K41 L47 L66 E69 V70P33-L37 WeakPolarHBondContact O-CG 3.4Å; P33-L37 PolarHBondContact O-N 2.94Å; H34-L37 PolarHBondContact O-N 3.19Å; L37-V40 PolarHBondContact O-N 2.83Å; L37-K41 VanDerWaalsContact O-CB 3.28Å; L37-K41 WeakPolarHBondContact O-CB 3.28Å; L37-K41 PolarHBondContact O-N 3.33Å; L37-L47 HydrophobicContact CD2-CD2 4.33Å; L37-L66 HydrophobicContact CD1-CD2 3.97Å; L37-L66 HydrophobicContact CD2-CD2 3.9Å; L37-L66 HydrophobicContact CG-CD2 3.8Å; L37-E69 HydrophobicContact CD1-CB 4.12Å; L37-E69 WeakPolarHBondContact CD1-OE2 3.18Å; L37-V70 HydrophobicContact CD2-CG2 3.8Å
38E98.1Very high98Very high125 Ų12553.7 Ų53.758%0.58425%0.254SS*.Hα-helixtrans-60-45.9171.7-173-173.5166.400111.4H34 L36 K41 R42H34-E38 WeakPolarHBondContact O-CB 3.48Å; H34-E38 PolarHBondContact O-N 3.12Å; L36-E38 VanDerWaalsContact C-N 3.34Å; L36-E38 PolarHBondContact O-N 2.9Å; E38-K41 PolarHBondContact O-N 2.85Å; E38-R42 VanDerWaalsContact O-CB 3.23Å; E38-R42 WeakPolarHBondContact O-CB 3.27Å; E38-R42 PolarHBondContact O-N 3.37Å
39I98.2Very high97.9Very high14 Ų1453.7 Ų53.77%0.07225%0.254CS..Hα-helixtrans-63.9-47.7177.3-71.6165.3000110.8K4 I6 L16 R35 L36 K41 R42 E43K4-I39 HydrophobicContact CD-CG2 4.18Å; I6-I39 HydrophobicContact CD1-CD1 3.63Å; I6-I39 HydrophobicContact CG1-CD1 3.97Å; I6-I39 HydrophobicContact CG2-CD1 4.04Å; L16-I39 HydrophobicContact CD1-CB 4.44Å; L16-I39 HydrophobicContact CD1-CG2 3.69Å; R35-I39 HydrophobicContact CG-CD1 4.41Å; R35-I39 WeakPolarHBondContact O-CG1 3.35Å; R35-I39 PolarHBondContact O-N 2.83Å; L36-I39 WeakPolarHBondContact O-CB 3.26Å; L36-I39 PolarHBondContact O-N 2.8Å; L36-I39 VanDerWaalsContact O-N 3.15Å; I39-K41 VanDerWaalsContact C-N 3.32Å; I39-K41 PolarHBondContact O-N 2.88Å; I39-R42 PolarHBondContact O-N 2.85Å; I39-E43 WeakPolarHBondContact O-CB 3.46Å; I39-E43 PolarHBondContact O-N 2.82Å
40V98.2Very high97.9Very high13 Ų1353.6 Ų53.68%0.07925%0.253CS..Hα-helixtrans-55.7-48.5178.1167.20000110.3L16 L36 L37 G44 L45 L47L16-V40 HydrophobicContact CD1-CG2 4.14Å; L16-V40 HydrophobicContact CD2-CG2 4.26Å; L36-V40 HydrophobicContact CG-CG2 4.44Å; L36-V40 WeakPolarHBondContact O-CG2 3.45Å; L36-V40 PolarHBondContact O-N 2.87Å; L37-V40 PolarHBondContact O-N 2.83Å; V40-G44 PolarHBondContact O-N 2.97Å; V40-G44 VanDerWaalsContact O-N 3.14Å; V40-L45 HydrophobicContact CB-CB 4.49Å; V40-L45 HydrophobicContact CG1-CB 4.12Å; V40-L45 VanDerWaalsContact CG1-O 3.23Å; V40-L45 WeakPolarHBondContact CG1-O 3.38Å; V40-L45 PolarHBondContact O-N 3.34Å; V40-L47 HydrophobicContact CG1-CB 4.32Å; V40-L47 HydrophobicContact CG2-CB 4.4Å
41K98Very high98Very high186 Ų18653.6 Ų53.681%0.80925%0.253SS*.Hα-helixtrans-64.3-48.2178.5-176.9179.5-179.4-179.90112.3L37 E38 I39 E43 G44L37-K41 VanDerWaalsContact O-CB 3.28Å; L37-K41 WeakPolarHBondContact O-CB 3.28Å; L37-K41 PolarHBondContact O-N 3.33Å; E38-K41 PolarHBondContact O-N 2.85Å; I39-K41 VanDerWaalsContact C-N 3.32Å; I39-K41 PolarHBondContact O-N 2.88Å; K41-E43 PolarHBondContact O-N 3.29Å; K41-G44 PolarHBondContact O-N 2.8Å
42R98.2Very high98Very high159 Ų15953.6 Ų53.660%0.625%0.253SS*.Hα-helixtrans-60.5-36.1-178.1-176.6-172.470.3-165.94.9112.1E38 I39E38-R42 VanDerWaalsContact O-CB 3.23Å; E38-R42 WeakPolarHBondContact O-CB 3.27Å; E38-R42 PolarHBondContact O-N 3.37Å; I39-R42 PolarHBondContact O-N 2.85Å
43E97.8Very high98.1Very high72 Ų7252.9 Ų52.934%0.33625%0.249SC..THydrogen-bonded Turntrans-96.54-176.1-70.7175-161.700113.5K4 I39 K41 L45K4-E43 IonicContact NZ-OE1 3.69Å; K4-E43 PolarHBondContact NZ-OE1 3.46Å; K4-E43 IonicContact NZ-OE2 3.44Å; K4-E43 PolarHBondContact NZ-OE2 2.78Å; I39-E43 WeakPolarHBondContact O-CB 3.46Å; I39-E43 PolarHBondContact O-N 2.82Å; K41-E43 PolarHBondContact O-N 3.29Å; E43-L45 VanDerWaalsContact C-N 3.27Å; E43-L45 HydrophobicContact CB-CD1 4.08Å; E43-L45 HydrophobicContact CB-CD2 4.46Å; E43-L45 HydrophobicContact CB-CG 3.86Å; E43-L45 PolarHBondContact O-N 2.97Å
44G97.6Very high98.1Very high45 Ų4551.9 Ų51.946%0.46424%0.242SC..THydrogen-bonded Turntrans62.43517900000112.8V40 K41V40-G44 PolarHBondContact O-N 2.97Å; V40-G44 VanDerWaalsContact O-N 3.14Å; K41-G44 PolarHBondContact O-N 2.8Å
45L97.9Very high98.2Very high15 Ų1548.7 Ų48.78%0.07923%0.226CC..  trans-89.2157.7-179.9-55.4176.4000111L16 I18 K23 A25 V40 E43L16-L45 HydrophobicContact CD1-CD1 4.45Å; I18-L45 HydrophobicContact CD1-CD1 3.68Å; I18-L45 HydrophobicContact CD1-CD2 4.44Å; I18-L45 HydrophobicContact CG1-CD1 4.02Å; I18-L45 HydrophobicContact CG2-CD2 3.81Å; K23-L45 HydrophobicContact CB-CD2 4.24Å; K23-L45 HydrophobicContact CD-CD2 4.36Å; K23-L45 CarbonylContact O-C 3.6Å; K23-L45 WeakPolarHBondContact O-CA 3.21Å; A25-L45 HydrophobicContact CB-CB 4.37Å; A25-L45 HydrophobicContact CB-CD1 4.45Å; V40-L45 HydrophobicContact CB-CB 4.49Å; V40-L45 HydrophobicContact CG1-CB 4.12Å; V40-L45 VanDerWaalsContact CG1-O 3.23Å; V40-L45 WeakPolarHBondContact CG1-O 3.38Å; V40-L45 PolarHBondContact O-N 3.34Å; E43-L45 VanDerWaalsContact C-N 3.27Å; E43-L45 HydrophobicContact CB-CD1 4.08Å; E43-L45 HydrophobicContact CB-CD2 4.46Å; E43-L45 HydrophobicContact CB-CG 3.86Å; E43-L45 PolarHBondContact O-N 2.97Å
46F97Very high98.2Very high129 Ų12945.5 Ų45.557%0.56622%0.215SC*.EExtended strand (participates in β ladder)trans-113.9103.8174-57.5-77.8000109.5K23 Q24 A25 I48K23-F46 HydrophobicContact CB-CD2 4.11Å; K23-F46 HydrophobicContact CB-CE2 4.29Å; K23-F46 PolarHBondContact O-N 2.86Å; Q24-F46 CarbonylContact C-O 3.56Å; Q24-F46 WeakPolarHBondContact CA-O 3.13Å; A25-F46 PolarHBondContact N-O 3.49Å; F46-I48 PolarHBondContact O-N 3Å
47L98.3Very high98.3Very high16 Ų1653.3 Ų53.38%0.08425%0.245CC..EExtended strand (participates in β ladder)trans-71116175.5-176.467.8000109.5L16 A25 A27 L36 L37 V40 L66 L73L16-L47 HydrophobicContact CD2-CD1 4.27Å; A25-L47 WeakPolarHBondContact O-CA 3.33Å; A27-L47 HydrophobicContact CB-CD1 3.72Å; L36-L47 HydrophobicContact CD2-CD1 4.43Å; L36-L47 HydrophobicContact CD2-CD2 3.86Å; L37-L47 HydrophobicContact CD2-CD2 4.33Å; V40-L47 HydrophobicContact CG1-CB 4.32Å; V40-L47 HydrophobicContact CG2-CB 4.4Å; L47-L66 HydrophobicContact CD2-CD2 4.28Å; L47-L73 HydrophobicContact CD2-CD1 4.18Å; L47-L73 HydrophobicContact CD2-CD2 4.12Å; L47-L73 HydrophobicContact CG-CD1 3.89Å
48I97.4Very high98.3Very high50 Ų5053.5 Ų53.526%0.25625%0.246SC..EExtended strand (participates in β ladder)trans-112.1-23.3-174.254.4161.1000113.8Q24 A25 I26 F46 F97Q24-I48 HydrophobicContact CB-CD1 3.88Å; Q24-I48 HydrophobicContact CB-CG1 4.26Å; Q24-I48 HydrophobicContact CB-CG2 4.33Å; Q24-I48 HydrophobicContact CG-CD1 4.3Å; Q24-I48 HydrophobicContact CG-CG2 3.98Å; A25-I48 VanDerWaalsContact O-CG1 3.26Å; A25-I48 WeakPolarHBondContact O-CG1 3.37Å; A25-I48 PolarHBondContact O-N 2.62Å; I26-I48 HydrophobicContact CG1-CD1 4.45Å; I26-I48 HydrophobicContact CG1-CG1 4.36Å; F46-I48 PolarHBondContact O-N 3Å; I48-F97 HydrophobicContact CD1-CB 3.77Å; I48-F97 HydrophobicContact CD1-CD1 3.95Å; I48-F97 HydrophobicContact CD1-CG 4.21Å
49A98.6Very high98.3Very high0 Ų047.6 Ų47.60%022%0.218CC..EExtended strand (participates in β ladder)trans-154.7157.6-178.900000112I26 A27 K74 Y76 F97I26-A49 WeakPolarHBondContact CA-O 3.04Å; I26-A49 HydrophobicContact CG1-CB 4.4Å; I26-A49 HydrophobicContact CG2-CB 4.17Å; A27-A49 PolarHBondContact N-O 3.47Å; A49-K74 CarbonylContact C-O 3.52Å; A49-K74 WeakPolarHBondContact CA-O 3.27Å; A49-Y76 HydrophobicContact CB-CD2 4.3Å; A49-Y76 HydrophobicContact CB-CE2 3.95Å; A49-F97 HydrophobicContact CB-CD1 4.15Å; A49-F97 HydrophobicContact CB-CE1 3.54Å; A49-F97 HydrophobicContact CB-CZ 3.82Å
50V98.9Very high98.3Very high0 Ų047.1 Ų47.10%022%0.216CC..EExtended strand (participates in β ladder)trans-120.1131.3168.4174.60000108.2A27 P30 L66 L73 K74 V75 Y76A27-V50 HydrophobicContact CB-CG2 4.41Å; A27-V50 CarbonylContact O-C 3.48Å; A27-V50 VanDerWaalsContact O-CA 3.3Å; A27-V50 WeakPolarHBondContact O-CA 3.31Å; P30-V50 HydrophobicContact CG-CG1 3.6Å; P30-V50 HydrophobicContact CG-CG2 4.07Å; V50-L66 HydrophobicContact CG2-CD1 4.1Å; V50-L73 HydrophobicContact CG2-CD1 4.39Å; V50-L73 HydrophobicContact CG2-CD2 3.9Å; V50-L73 HydrophobicContact CG2-CG 4.32Å; V50-K74 PolarHBondContact N-O 3.21Å; V50-V75 HydrophobicContact CB-CB 4.44Å; V50-V75 HydrophobicContact CB-CG1 4.34Å; V50-V75 HydrophobicContact CB-CG2 4.13Å; V50-V75 HydrophobicContact CG1-CG1 4.21Å; V50-V75 HydrophobicContact CG2-CG2 4.45Å; V50-Y76 PolarHBondContact O-N 3.06Å
51L98.9Very high98.3Very high1 Ų150 Ų501%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-105.1121.6167.4-55.3177.9000107.5I26 A27 V28 D29 Y76 L95 V102 Y117I26-L51 HydrophobicContact CG2-CD1 3.85Å; I26-L51 HydrophobicContact CG2-CD2 4.45Å; I26-L51 HydrophobicContact CG2-CG 3.64Å; A27-L51 PolarHBondContact O-N 3.11Å; V28-L51 WeakPolarHBondContact CA-O 3.39Å; V28-L51 HydrophobicContact CG2-CB 4.32Å; V28-L51 HydrophobicContact CG2-CD1 4.42Å; D29-L51 PolarHBondContact N-O 3.05Å; L51-Y76 HydrophobicContact CD2-CD2 4.06Å; L51-Y76 HydrophobicContact CD2-CG 4.23Å; L51-L95 HydrophobicContact CD2-CD1 4.19Å; L51-V102 HydrophobicContact CD1-CG1 4.02Å; L51-V102 HydrophobicContact CD1-CG2 4.38Å; L51-Y117 HydrophobicContact CB-CD1 4.32Å; L51-Y117 HydrophobicContact CB-CD2 3.79Å; L51-Y117 HydrophobicContact CB-CE1 4.22Å; L51-Y117 HydrophobicContact CB-CE2 3.68Å; L51-Y117 HydrophobicContact CB-CG 4.1Å; L51-Y117 HydrophobicContact CD1-CD1 4Å; L51-Y117 HydrophobicContact CD1-CD2 4.33Å; L51-Y117 HydrophobicContact CD1-CG 3.84Å; L51-Y117 HydrophobicContact CD2-CD1 4.17Å; L51-Y117 HydrophobicContact CD2-CE1 4.01Å; L51-Y117 HydrophobicContact CG-CD1 4.38Å; L51-Y117 HydrophobicContact CG-CE1 4.49Å; L51-Y117 HydrophobicContact CG-CG 4.42Å
52T98.9Very high98.3Very high0 Ų041.2 Ų41.20%019%0.188CC..  trans-111.8115.2179.3-57.40000109.5D29 H54 A60 N63 Y76 I82 Y117D29-T52 WeakPolarHBondContact OD1-CA 3.37Å; T52-H54 VanDerWaalsContact CG2-O 3.3Å; T52-H54 WeakPolarHBondContact CG2-O 3.3Å; T52-A60 HydrophobicContact CG2-CB 3.8Å; T52-N63 PolarHBondContact OG1-ND2 2.76Å; T52-Y76 PolarHBondContact N-O 3.04Å; T52-I82 HydrophobicContact CG2-CD1 3.9Å; T52-I82 HydrophobicContact CG2-CG1 4.02Å; T52-I82 HydrophobicContact CG2-CG2 3.86Å; T52-Y117 PolarHBondContact O-OH 3.06Å; T52-Y117 VanDerWaalsContact O-OH 3.09Å
53T98.9Very high98.3Very high0 Ų033.7 Ų33.70%016%0.159CC..  trans-65.7-44.1-175.160.40000111.4V28 D29 D114 M115 Y117V28-T53 HydrophobicContact CG1-CG2 4.17Å; D29-T53 VanDerWaalsContact CG-OG1 3.31Å; D29-T53 PolarHBondContact OD1-N 3.04Å; D29-T53 PolarHBondContact OD1-OG1 2.82Å; D29-T53 WeakPolarHBondContact OD2-CB 3.44Å; D29-T53 VanDerWaalsContact OD2-CG2 3.22Å; D29-T53 WeakPolarHBondContact OD2-CG2 3.4Å; D29-T53 PolarHBondContact OD2-OG1 2.7Å; T53-D114 CarbonylContact O-C 3.53Å; T53-D114 WeakPolarHBondContact O-CA 3.21Å; T53-M115 WeakPolarHBondContact CA-O 3.01Å; T53-M115 WeakPolarHBondContact CB-O 3.37Å; T53-M115 PolarHBondContact O-N 3.46Å; T53-Y117 HydrophobicContact CG2-CD2 4.23Å; T53-Y117 HydrophobicContact CG2-CE2 4.25Å
54H98.8Very high98.3Very high0 Ų034.8 Ų34.80%017%0.165CC..  trans-159.1175177.567-72.1000112.9T52 H56 H59 H110 T111 D114 D134T52-H54 VanDerWaalsContact CG2-O 3.3Å; T52-H54 WeakPolarHBondContact CG2-O 3.3Å; H54-H56 AromaticContact CD2-CE1 3.98Å; H54-H56 AromaticContact CD2-CG 3.45Å; H54-H56 VanDerWaalsContact CD2-CG 3.45Å; H54-H56 PolarHBondContact CD2-N 3.41Å; H54-H56 AromaticContact CD2-ND1 3.15Å; H54-H56 PolarHBondContact CD2-ND1 2.91Å; H54-H56 WeakPolarHBondContact NE2-CB 3.39Å; H54-H56 AromaticContact NE2-CG 3.45Å; H54-H56 AromaticContact NE2-ND1 2.97Å; H54-H56 PolarHBondContact NE2-ND1 3.37Å; H54-H56 PolarHBondContact O-N 3.17Å; H54-H59 AromaticContact CE1-CD2 3.22Å; H54-H59 PolarHBondContact CE1-CD2 2.79Å; H54-H59 AromaticContact CE1-CE1 3.47Å; H54-H59 PolarHBondContact CE1-CE1 2.81Å; H54-H59 VanDerWaalsContact CE1-CE1 3.47Å; H54-H59 AromaticContact CE1-CG 3.41Å; H54-H59 VanDerWaalsContact CE1-CG 3.41Å; H54-H59 AromaticContact CE1-ND1 3.55Å; H54-H59 AromaticContact CE1-NE2 3.29Å; H54-H59 PolarHBondContact CE1-NE2 3.09Å; H54-H59 VanDerWaalsContact CE1-NE2 3.29Å; H54-H59 AromaticContact ND1-CG 3.89Å; H54-H59 AromaticContact ND1-ND1 3.95Å; H54-H59 AromaticContact NE2-CD2 3.56Å; H54-H59 AromaticContact NE2-NE2 3.85Å; H54-H110 AromaticContact CD2-CD2 3.94Å; H54-H110 AromaticContact NE2-CD2 3.74Å; H54-H110 AromaticContact NE2-NE2 3.6Å; H54-T111 HydrophobicContact CB-CG2 4.19Å; H54-T111 WeakPolarHBondContact CB-OG1 3.13Å; H54-D114 WeakPolarHBondContact CB-OD1 3.42Å; H54-D114 IonicContact CG-OD1 3.78Å; H54-D114 IonicContact ND1-OD1 3.32Å; H54-D134 IonicContact CE1-OD1 3.41Å
55Y98.7Very high98.3Very high62 Ų6234.2 Ų34.224%0.24316%0.156CC..SBendtrans-80.4-8.4-16881.6-87.4000115.5R81 T111 E146Y55-R81 HydrophobicContact CD2-CB 3.96Å; Y55-R81 VanDerWaalsContact CE1-NH1 3.26Å; Y55-R81 VanDerWaalsContact CE1-NH2 3.32Å; Y55-R81 HydrophobicContact CG-CB 3.84Å; Y55-R81 VanDerWaalsContact CZ-NH1 3.33Å; Y55-R81 PolarHBondContact OH-NH1 3.19Å; Y55-T111 HydrophobicContact CD1-CG2 3.87Å; Y55-T111 HydrophobicContact CE1-CG2 3.52Å; Y55-E146 WeakPolarHBondContact CE1-OE1 3.41Å; Y55-E146 PolarHBondContact OH-OE1 2.88Å
56H98.8Very high98.4Very high36 Ų3633.5 Ų33.517%0.16715%0.152CC..  trans-60146.5-177.2-69.7145.8000111.1H54 D58 H59 A60 H110 T111H54-H56 AromaticContact CD2-CE1 3.98Å; H54-H56 AromaticContact CD2-CG 3.45Å; H54-H56 VanDerWaalsContact CD2-CG 3.45Å; H54-H56 PolarHBondContact CD2-N 3.41Å; H54-H56 AromaticContact CD2-ND1 3.15Å; H54-H56 PolarHBondContact CD2-ND1 2.91Å; H54-H56 WeakPolarHBondContact NE2-CB 3.39Å; H54-H56 AromaticContact NE2-CG 3.45Å; H54-H56 AromaticContact NE2-ND1 2.97Å; H54-H56 PolarHBondContact NE2-ND1 3.37Å; H54-H56 PolarHBondContact O-N 3.17Å; H56-D58 VanDerWaalsContact C-N 3.29Å; H56-D58 WeakPolarHBondContact CB-OD1 3.34Å; H56-D58 PolarHBondContact O-N 3.48Å; H56-H59 PolarHBondContact O-N 2.88Å; H56-A60 PolarHBondContact O-N 2.96Å; H56-H110 AromaticContact CE1-CD2 3.82Å; H56-H110 AromaticContact CE1-CE1 3.68Å; H56-H110 AromaticContact CE1-NE2 3.06Å; H56-H110 PolarHBondContact CE1-NE2 2.88Å; H56-H110 AromaticContact ND1-CD2 3.85Å; H56-H110 AromaticContact ND1-CE1 3.94Å; H56-H110 AromaticContact ND1-NE2 3.02Å; H56-H110 PolarHBondContact ND1-NE2 3.08Å; H56-T111 WeakPolarHBondContact CE1-CG2 3.39Å
57W98.4Very high98.4Very high164 Ų16429.5 Ų29.562%0.62114%0.138SC*.Hα-helixtrans-60.3-40.1-167.4172.689.7000112.5L9 H59 R61L9-W57 HydrophobicContact CD1-CZ3 4.18Å; L9-W57 HydrophobicContact CD2-CZ3 4.46Å; W57-H59 PolarHBondContact O-N 3.25Å; W57-H59 VanDerWaalsContact O-N 3.16Å; W57-R61 HydrophobicContact CD2-CB 4.28Å; W57-R61 VanDerWaalsContact CD2-CD 3.48Å; W57-R61 HydrophobicContact CD2-CG 4.42Å; W57-R61 HydrophobicContact CG-CB 4.03Å; W57-R61 VanDerWaalsContact CZ2-CD 3.44Å; W57-R61 WeakPolarHBondContact O-CB 3.49Å; W57-R61 VanDerWaalsContact O-CD 3.31Å; W57-R61 WeakPolarHBondContact O-CD 3.34Å; W57-R61 WeakPolarHBondContact O-CG 3.4Å; W57-R61 PolarHBondContact O-N 2.93Å
58D98.4Very high98.3Very high37 Ų3735.1 Ų35.120%0.19817%0.168CC..Hα-helixtrans-69.6-4.9179.656.1-47.7000114.3L9 N12 A31 H56 H173L9-D58 HydrophobicContact CD1-CB 3.67Å; N12-D58 PolarHBondContact ND2-OD2 2.91Å; A31-D58 WeakPolarHBondContact CB-O 3.36Å; H56-D58 VanDerWaalsContact C-N 3.29Å; H56-D58 WeakPolarHBondContact CB-OD1 3.34Å; H56-D58 PolarHBondContact O-N 3.48Å; D58-H173 IonicContact OD2-CE1 3.82Å; D58-H173 PolarHBondContact OD2-CE1 2.84Å; D58-H173 IonicContact OD2-NE2 2.89Å; D58-H173 PolarHBondContact OD2-NE2 3.09Å
59H98.8Very high98.3Very high1 Ų138.5 Ų38.51%0.00518%0.182CC..Hα-helixtrans-110.2-49.3170.3-64-103.3000111.9D29 H54 H56 W57 D134 H173D29-H59 CarbonylContact C-O 3.54Å; D29-H59 HydrophobicContact CB-CB 3.95Å; D29-H59 IonicContact OD2-CE1 3.77Å; D29-H59 IonicContact OD2-CG 3.86Å; D29-H59 IonicContact OD2-ND1 3.63Å; D29-H59 PolarHBondContact OD2-ND1 3.05Å; H54-H59 AromaticContact CE1-CD2 3.22Å; H54-H59 PolarHBondContact CE1-CD2 2.79Å; H54-H59 AromaticContact CE1-CE1 3.47Å; H54-H59 PolarHBondContact CE1-CE1 2.81Å; H54-H59 VanDerWaalsContact CE1-CE1 3.47Å; H54-H59 AromaticContact CE1-CG 3.41Å; H54-H59 VanDerWaalsContact CE1-CG 3.41Å; H54-H59 AromaticContact CE1-ND1 3.55Å; H54-H59 AromaticContact CE1-NE2 3.29Å; H54-H59 PolarHBondContact CE1-NE2 3.09Å; H54-H59 VanDerWaalsContact CE1-NE2 3.29Å; H54-H59 AromaticContact ND1-CG 3.89Å; H54-H59 AromaticContact ND1-ND1 3.95Å; H54-H59 AromaticContact NE2-CD2 3.56Å; H54-H59 AromaticContact NE2-NE2 3.85Å; H56-H59 PolarHBondContact O-N 2.88Å; W57-H59 PolarHBondContact O-N 3.25Å; W57-H59 VanDerWaalsContact O-N 3.16Å; H59-D134 IonicContact CE1-OD1 3.47Å; H59-D134 PolarHBondContact CE1-OD1 2.92Å; H59-D134 IonicContact NE2-OD1 3.68Å; H59-D134 PolarHBondContact NE2-OD1 3.31Å; H59-H173 AromaticContact NE2-NE2 3.44Å; H59-H173 PolarHBondContact NE2-NE2 2.87Å
60A98.5Very high98.2Very high4 Ų439.9 Ų39.93%0.03319%0.191CC..Hα-helixtrans-95.5-13.8-167.200000115.3T52 H56 G62 N63 I82T52-A60 HydrophobicContact CG2-CB 3.8Å; H56-A60 PolarHBondContact O-N 2.96Å; A60-G62 PolarHBondContact O-N 2.83Å; A60-N63 VanDerWaalsContact O-CB 3.31Å; A60-N63 WeakPolarHBondContact O-CB 3.21Å; A60-N63 PolarHBondContact O-N 3.18Å; A60-N63 VanDerWaalsContact O-N 3.11Å; A60-N63 PolarHBondContact O-ND2 2.93Å; A60-I82 HydrophobicContact CB-CG2 4.41Å
61R97.6Very high98Very high74 Ų7445.8 Ų45.828%0.27923%0.229SC..THydrogen-bonded Turntrans-61-23.7-169.669.1-171.3-176.3155.10.9115.1A31 W57 N63A31-R61 HydrophobicContact CB-CG 3.91Å; A31-R61 VanDerWaalsContact O-CG 3.32Å; A31-R61 WeakPolarHBondContact O-CG 3.36Å; A31-R61 VanDerWaalsContact O-CZ 3.31Å; A31-R61 PolarHBondContact O-NE 3.28Å; A31-R61 PolarHBondContact O-NH2 2.86Å; W57-R61 HydrophobicContact CD2-CB 4.28Å; W57-R61 VanDerWaalsContact CD2-CD 3.48Å; W57-R61 HydrophobicContact CD2-CG 4.42Å; W57-R61 HydrophobicContact CG-CB 4.03Å; W57-R61 VanDerWaalsContact CZ2-CD 3.44Å; W57-R61 WeakPolarHBondContact O-CB 3.49Å; W57-R61 VanDerWaalsContact O-CD 3.31Å; W57-R61 WeakPolarHBondContact O-CD 3.34Å; W57-R61 WeakPolarHBondContact O-CG 3.4Å; W57-R61 PolarHBondContact O-N 2.93Å; R61-N63 VanDerWaalsContact C-N 3.32Å
62G98Very high97.9Very high1 Ų149.2 Ų49.21%0.0127%0.265CS..THydrogen-bonded Turntrans-81.3-13.4-17800000113.9P30 A60 E64 A65 L66P30-G62 WeakPolarHBondContact O-CA 3.32Å; A60-G62 PolarHBondContact O-N 2.83Å; G62-E64 PolarHBondContact O-N 2.92Å; G62-A65 PolarHBondContact O-N 3.19Å; G62-L66 WeakPolarHBondContact O-CG 3.3Å; G62-L66 PolarHBondContact O-N 2.81Å
63N98.6Very high97.8Very high0 Ų049.5 Ų49.50%027%0.266CS..Hα-helixtrans-60.9-49.2-170.9-68.2-1.8000113T52 A60 R61 A65 L66 V67 V75 I82 K83T52-N63 PolarHBondContact OG1-ND2 2.76Å; A60-N63 VanDerWaalsContact O-CB 3.31Å; A60-N63 WeakPolarHBondContact O-CB 3.21Å; A60-N63 PolarHBondContact O-N 3.18Å; A60-N63 VanDerWaalsContact O-N 3.11Å; A60-N63 PolarHBondContact O-ND2 2.93Å; R61-N63 VanDerWaalsContact C-N 3.32Å; N63-A65 VanDerWaalsContact C-N 3.32Å; N63-A65 PolarHBondContact O-N 3.19Å; N63-L66 PolarHBondContact O-N 2.87Å; N63-V67 WeakPolarHBondContact O-CG2 3.47Å; N63-V67 PolarHBondContact O-N 2.93Å; N63-V75 HydrophobicContact CB-CG1 4.25Å; N63-I82 WeakPolarHBondContact ND2-CG2 3.45Å; N63-K83 WeakPolarHBondContact CB-O 3.37Å; N63-K83 PolarHBondContact ND2-O 3.02Å
64E97.8Very high97.8Very high96 Ų9653.5 Ų53.545%0.44928%0.284SS..Hα-helixtrans-60.6-41.2-179.5-69.5-175.9125.300112G62 N68 K83G62-E64 PolarHBondContact O-N 2.92Å; E64-N68 VanDerWaalsContact O-CG 3.26Å; E64-N68 PolarHBondContact O-N 2.47Å; E64-N68 PolarHBondContact O-ND2 3.42Å; E64-K83 HydrophobicContact CG-CB 3.71Å; E64-K83 WeakPolarHBondContact OE2-CD 3.31Å
65A97.9Very high97.8Very high33 Ų3353.5 Ų53.527%0.27328%0.284SS..Hα-helixtrans-63.6-44.4176.900000111.2P33 G62 N63 N68 E69P33-A65 HydrophobicContact CB-CB 4.28Å; P33-A65 HydrophobicContact CG-CB 3.88Å; G62-A65 PolarHBondContact O-N 3.19Å; N63-A65 VanDerWaalsContact C-N 3.32Å; N63-A65 PolarHBondContact O-N 3.19Å; A65-N68 PolarHBondContact O-N 2.85Å; A65-E69 WeakPolarHBondContact O-CB 3.23Å; A65-E69 WeakPolarHBondContact O-CG 3.48Å; A65-E69 PolarHBondContact O-N 3.03Å
66L98.3Very high97.8Very high0 Ų052.1 Ų52.10%028%0.278CS..Hα-helixtrans-64.4-42.1179.1-69.6169.4000112.9P30 P33 L36 L37 L47 V50 G62 N63 N68 E69 V70 L73P30-L66 HydrophobicContact CB-CD1 3.62Å; P30-L66 HydrophobicContact CG-CD1 3.35Å; P33-L66 HydrophobicContact CB-CD1 4.29Å; P33-L66 HydrophobicContact CB-CD2 3.68Å; P33-L66 HydrophobicContact CB-CG 3.66Å; L36-L66 HydrophobicContact CD2-CD1 3.99Å; L36-L66 HydrophobicContact CD2-CD2 4.06Å; L37-L66 HydrophobicContact CD1-CD2 3.97Å; L37-L66 HydrophobicContact CD2-CD2 3.9Å; L37-L66 HydrophobicContact CG-CD2 3.8Å; L47-L66 HydrophobicContact CD2-CD2 4.28Å; V50-L66 HydrophobicContact CG2-CD1 4.1Å; G62-L66 WeakPolarHBondContact O-CG 3.3Å; G62-L66 PolarHBondContact O-N 2.81Å; N63-L66 PolarHBondContact O-N 2.87Å; L66-N68 PolarHBondContact O-N 3.03Å; L66-E69 PolarHBondContact O-N 2.97Å; L66-V70 WeakPolarHBondContact O-CB 3.4Å; L66-V70 PolarHBondContact O-N 3.42Å; L66-L73 HydrophobicContact CB-CD2 3.57Å
67V97.7Very high97.8Very high44 Ų4450.4 Ų50.427%0.26727%0.27SS..Hα-helixtrans-62.2-36177.1171.60000111.1N63 V75 T86N63-V67 WeakPolarHBondContact O-CG2 3.47Å; N63-V67 PolarHBondContact O-N 2.93Å; V67-V75 HydrophobicContact CG2-CG2 3.4Å; V67-T86 HydrophobicContact CG2-CG2 4.46Å
68N96.9Very high97.8Very high135 Ų13543.3 Ų43.372%0.72225%0.246SC*.Hα-helixtrans-73-36.9176.5-70.3-32.1000112.9E64 A65 L66E64-N68 VanDerWaalsContact O-CG 3.26Å; E64-N68 PolarHBondContact O-N 2.47Å; E64-N68 PolarHBondContact O-ND2 3.42Å; A65-N68 PolarHBondContact O-N 2.85Å; L66-N68 PolarHBondContact O-N 3.03Å
69E96.7Very high97.8Very high120 Ų12042.2 Ų42.256%0.56124%0.24SC*.Hα-helixtrans-84.9-26-176.9-71.7-175.1-135.400113.8L37 A65 L66 P71L37-E69 HydrophobicContact CD1-CB 4.12Å; L37-E69 WeakPolarHBondContact CD1-OE2 3.18Å; A65-E69 WeakPolarHBondContact O-CB 3.23Å; A65-E69 WeakPolarHBondContact O-CG 3.48Å; A65-E69 PolarHBondContact O-N 3.03Å; L66-E69 PolarHBondContact O-N 2.97Å; E69-P71 WeakPolarHBondContact O-CD 3.36Å
70V97.1Very high97.8Very high30 Ų3047.9 Ų47.918%0.18227%0.271CS..SBendtrans-119.495.4-176.3-173.10000109.5L37 L66 G72 L73L37-V70 HydrophobicContact CD2-CG2 3.8Å; L66-V70 WeakPolarHBondContact O-CB 3.4Å; L66-V70 PolarHBondContact O-N 3.42Å; V70-G72 PolarHBondContact O-N 3.22Å; V70-L73 HydrophobicContact CB-CB 3.99Å; V70-L73 HydrophobicContact CB-CD2 4.14Å; V70-L73 HydrophobicContact CG1-CB 4.02Å; V70-L73 HydrophobicContact CG1-CD1 4.49Å; V70-L73 WeakPolarHBondContact O-CB 3.41Å; V70-L73 PolarHBondContact O-N 3.05Å; V70-L73 VanDerWaalsContact O-N 3.12Å
71P94.7Very high97.8Very high124 Ų12452.5 Ų52.581%0.80529%0.287SS*.THydrogen-bonded Turntrans-56.8130.5-178.6-27.135.3000112.7E69 L73E69-P71 WeakPolarHBondContact O-CD 3.36Å; P71-L73 VanDerWaalsContact C-N 3.27Å; P71-L73 PolarHBondContact O-N 3.18Å
72G95.7Very high97.8Very high72 Ų7249.1 Ų49.174%0.74228%0.275SS*.THydrogen-bonded Turntrans79.53.3178.700000114.9V70 K74V70-G72 PolarHBondContact O-N 3.22Å; G72-K74 PolarHBondContact O-N 2.72Å
73L98.3Very high97.7Very high7 Ų755.5 Ų55.54%0.03730%0.302CS..  trans-60131.9175.3-175.465.9000110.9L47 V50 L66 V70 P71L47-L73 HydrophobicContact CD2-CD1 4.18Å; L47-L73 HydrophobicContact CD2-CD2 4.12Å; L47-L73 HydrophobicContact CG-CD1 3.89Å; V50-L73 HydrophobicContact CG2-CD1 4.39Å; V50-L73 HydrophobicContact CG2-CD2 3.9Å; V50-L73 HydrophobicContact CG2-CG 4.32Å; L66-L73 HydrophobicContact CB-CD2 3.57Å; V70-L73 HydrophobicContact CB-CB 3.99Å; V70-L73 HydrophobicContact CB-CD2 4.14Å; V70-L73 HydrophobicContact CG1-CB 4.02Å; V70-L73 HydrophobicContact CG1-CD1 4.49Å; V70-L73 WeakPolarHBondContact O-CB 3.41Å; V70-L73 PolarHBondContact O-N 3.05Å; V70-L73 VanDerWaalsContact O-N 3.12Å; P71-L73 VanDerWaalsContact C-N 3.27Å; P71-L73 PolarHBondContact O-N 3.18Å
74K98.4Very high97.7Very high83 Ų8356.6 Ų56.636%0.36131%0.314SS..EExtended strand (participates in β ladder)trans-98.2134.3175.4-58.6-50.3-142.4126.40111A49 V50 G72 Y76 T86 D87A49-K74 CarbonylContact C-O 3.52Å; A49-K74 WeakPolarHBondContact CA-O 3.27Å; V50-K74 PolarHBondContact N-O 3.21Å; G72-K74 PolarHBondContact O-N 2.72Å; K74-Y76 HydrophobicContact CB-CD2 4.3Å; K74-Y76 HydrophobicContact CB-CE2 3.54Å; K74-T86 WeakPolarHBondContact CA-OG1 3.28Å; K74-D87 VanDerWaalsContact CD-OD2 3.31Å; K74-D87 WeakPolarHBondContact CD-OD2 3.39Å; K74-D87 IonicContact NZ-OD1 2.78Å; K74-D87 PolarHBondContact NZ-OD1 2.93Å; K74-D87 VanDerWaalsContact NZ-OD1 3.15Å; K74-D87 IonicContact NZ-OD2 3.91Å; K74-D87 PolarHBondContact NZ-OD2 3.47Å
75V98.8Very high97.7Very high0 Ų054 Ų540%030%0.303CS..EExtended strand (participates in β ladder)trans-115.5115.8175.3-177.60000108.2V50 N63 V67 I82 G84 L85 T86 D87V50-V75 HydrophobicContact CB-CB 4.44Å; V50-V75 HydrophobicContact CB-CG1 4.34Å; V50-V75 HydrophobicContact CB-CG2 4.13Å; V50-V75 HydrophobicContact CG1-CG1 4.21Å; V50-V75 HydrophobicContact CG2-CG2 4.45Å; N63-V75 HydrophobicContact CB-CG1 4.25Å; V67-V75 HydrophobicContact CG2-CG2 3.4Å; V75-I82 HydrophobicContact CG1-CG2 4.49Å; V75-G84 VanDerWaalsContact CB-O 3.27Å; V75-G84 WeakPolarHBondContact CB-O 3.07Å; V75-G84 WeakPolarHBondContact CG2-O 3.32Å; V75-L85 WeakPolarHBondContact O-CD1 3.21Å; V75-T86 PolarHBondContact N-OG1 3.29Å; V75-T86 PolarHBondContact O-N 3.15Å; V75-T86 PolarHBondContact O-OG1 3.44Å; V75-D87 PolarHBondContact O-N 3.41Å
76Y98.9Very high97.7Very high34 Ų3455.3 Ų55.313%0.13331%0.307CS..EExtended strand (participates in β ladder)trans-101.6143.4179.4-60.3-91.7000110.9A49 V50 L51 T52 K74 D87 V89 L95 F97 Y117A49-Y76 HydrophobicContact CB-CD2 4.3Å; A49-Y76 HydrophobicContact CB-CE2 3.95Å; V50-Y76 PolarHBondContact O-N 3.06Å; L51-Y76 HydrophobicContact CD2-CD2 4.06Å; L51-Y76 HydrophobicContact CD2-CG 4.23Å; T52-Y76 PolarHBondContact N-O 3.04Å; K74-Y76 HydrophobicContact CB-CD2 4.3Å; K74-Y76 HydrophobicContact CB-CE2 3.54Å; Y76-D87 WeakPolarHBondContact CA-O 3.26Å; Y76-D87 HydrophobicContact CD1-CB 3.6Å; Y76-D87 HydrophobicContact CE1-CB 3.57Å; Y76-D87 HydrophobicContact CG-CB 4.39Å; Y76-V89 HydrophobicContact CD1-CG1 3.64Å; Y76-V89 HydrophobicContact CG-CG1 4.35Å; Y76-L95 HydrophobicContact CD1-CD1 3.69Å; Y76-L95 HydrophobicContact CD1-CD2 4.25Å; Y76-L95 HydrophobicContact CD2-CD1 4.37Å; Y76-L95 HydrophobicContact CE1-CD1 3.96Å; Y76-L95 HydrophobicContact CE1-CD2 3.98Å; Y76-L95 HydrophobicContact CG-CD1 3.91Å; Y76-F97 HydrophobicContact CD2-CZ 4.14Å; Y76-F97 AromaticContact CE2-CE1 3.82Å; Y76-F97 HydrophobicContact CE2-CE1 3.82Å; Y76-F97 AromaticContact CE2-CZ 3.53Å; Y76-F97 HydrophobicContact CE2-CZ 3.53Å; Y76-F97 AromaticContact CZ-CZ 3.9Å; Y76-Y117 PolarHBondContact O-OH 2.93Å
77G98.8Very high97.7Very high0 Ų057.6 Ų57.60%032%0.319CS..EExtended strand (participates in β ladder)trans-178.9166.2-179.100000110.9L85 K88 V89 Y117G77-L85 VanDerWaalsContact N-CD1 3.33Å; G77-K88 CarbonylContact O-C 3.58Å; G77-K88 VanDerWaalsContact O-CA 3.31Å; G77-K88 WeakPolarHBondContact O-CA 3.25Å; G77-V89 PolarHBondContact O-N 3.29Å; G77-Y117 WeakPolarHBondContact CA-OH 3.33Å
78A98.3Very high97.8Very high14 Ų1460.6 Ų60.612%0.11633%0.329CS..SBendtrans-103-3.6-176.600000114.1K88 F106 M115A78-K88 WeakPolarHBondContact O-CE 2.94Å; A78-F106 HydrophobicContact CB-CD2 4.36Å; A78-F106 HydrophobicContact CB-CE2 4.41Å; A78-M115 HydrophobicContact CB-CB 4.28Å; A78-M115 HydrophobicContact CB-CE 3.56Å
79D98.3Very high97.9Very high14 Ų1454.4 Ų54.48%0.07530%0.296CS..  trans-123.5128.1-169.6-161.1-45.2000112R81 I82D79-R81 PolarHBondContact O-N 3.1Å; D79-R81 VanDerWaalsContact O-N 3.13Å; D79-R81 WeakPolarHBondContact OD1-CB 3.3Å; D79-R81 VanDerWaalsContact OD1-CG 3.27Å; D79-R81 WeakPolarHBondContact OD1-CG 3.46Å; D79-R81 IonicContact OD1-CZ 2.79Å; D79-R81 PolarHBondContact OD1-N 3.16Å; D79-R81 IonicContact OD1-NE 3.96Å; D79-R81 PolarHBondContact OD1-NE 3.28Å; D79-R81 IonicContact OD1-NH2 3.87Å; D79-R81 IonicContact OD2-CZ 3.15Å; D79-R81 VanDerWaalsContact OD2-CZ 3.24Å; D79-R81 IonicContact OD2-NE 2.65Å; D79-R81 PolarHBondContact OD2-NE 3.37Å; D79-R81 IonicContact OD2-NH2 3.24Å; D79-R81 PolarHBondContact OD2-NH2 3.06Å; D79-I82 HydrophobicContact CB-CD1 4.01Å; D79-I82 HydrophobicContact CB-CG1 4.15Å; D79-I82 WeakPolarHBondContact O-CB 3.02Å; D79-I82 WeakPolarHBondContact O-CG1 2.99Å; D79-I82 PolarHBondContact O-N 3.06Å
80D98Very high97.9Very high120 Ų12053.1 Ų53.164%0.64230%0.297SS*.THydrogen-bonded Turntrans-67-13.6179.7-58.1-41.2000112.7I82 K88D80-I82 VanDerWaalsContact C-N 3.27Å; D80-K88 WeakPolarHBondContact OD1-CD 3.35Å; D80-K88 WeakPolarHBondContact OD1-CE 3.35Å; D80-K88 IonicContact OD1-NZ 3.93Å; D80-K88 PolarHBondContact OD1-NZ 3.22Å; D80-K88 IonicContact OD2-NZ 2.84Å; D80-K88 PolarHBondContact OD2-NZ 2.72Å
81R98.6Very high98Very high101 Ų10155.6 Ų55.638%0.38131%0.309SS..THydrogen-bonded Turntrans-76-14.6173.5-61.9173.8-73179.7-0.2112.7Y55 D79 K83 S112 E146Y55-R81 HydrophobicContact CD2-CB 3.96Å; Y55-R81 VanDerWaalsContact CE1-NH1 3.26Å; Y55-R81 VanDerWaalsContact CE1-NH2 3.32Å; Y55-R81 HydrophobicContact CG-CB 3.84Å; Y55-R81 VanDerWaalsContact CZ-NH1 3.33Å; Y55-R81 PolarHBondContact OH-NH1 3.19Å; D79-R81 PolarHBondContact O-N 3.1Å; D79-R81 VanDerWaalsContact O-N 3.13Å; D79-R81 WeakPolarHBondContact OD1-CB 3.3Å; D79-R81 VanDerWaalsContact OD1-CG 3.27Å; D79-R81 WeakPolarHBondContact OD1-CG 3.46Å; D79-R81 IonicContact OD1-CZ 2.79Å; D79-R81 PolarHBondContact OD1-N 3.16Å; D79-R81 IonicContact OD1-NE 3.96Å; D79-R81 PolarHBondContact OD1-NE 3.28Å; D79-R81 IonicContact OD1-NH2 3.87Å; D79-R81 IonicContact OD2-CZ 3.15Å; D79-R81 VanDerWaalsContact OD2-CZ 3.24Å; D79-R81 IonicContact OD2-NE 2.65Å; D79-R81 PolarHBondContact OD2-NE 3.37Å; D79-R81 IonicContact OD2-NH2 3.24Å; D79-R81 PolarHBondContact OD2-NH2 3.06Å; R81-K83 PolarHBondContact O-N 3.34Å; R81-K83 VanDerWaalsContact O-N 3.13Å; R81-S112 PolarHBondContact NH2-OG 3.14Å; R81-E146 IonicContact CZ-OE1 3.26Å; R81-E146 IonicContact CZ-OE2 3.32Å; R81-E146 IonicContact NH1-OE1 2.81Å; R81-E146 PolarHBondContact NH1-OE1 3.4Å; R81-E146 IonicContact NH1-OE2 2.8Å; R81-E146 PolarHBondContact NH1-OE2 3.3Å; R81-E146 IonicContact NH2-OE1 2.76Å; R81-E146 IonicContact NH2-OE2 3.57Å; R81-E146 PolarHBondContact NH2-OE2 2.67Å
82I98.7Very high98.2Very high4 Ų452.5 Ų52.52%0.02129%0.29CS..SBendtrans-66.8110.9174.3-67.5164.2000108.4T52 A60 N63 V75 D79 D80 L85T52-I82 HydrophobicContact CG2-CD1 3.9Å; T52-I82 HydrophobicContact CG2-CG1 4.02Å; T52-I82 HydrophobicContact CG2-CG2 3.86Å; A60-I82 HydrophobicContact CB-CG2 4.41Å; N63-I82 WeakPolarHBondContact ND2-CG2 3.45Å; V75-I82 HydrophobicContact CG1-CG2 4.49Å; D79-I82 HydrophobicContact CB-CD1 4.01Å; D79-I82 HydrophobicContact CB-CG1 4.15Å; D79-I82 WeakPolarHBondContact O-CB 3.02Å; D79-I82 WeakPolarHBondContact O-CG1 2.99Å; D79-I82 PolarHBondContact O-N 3.06Å; D80-I82 VanDerWaalsContact C-N 3.27Å; I82-L85 HydrophobicContact CB-CB 4.24Å; I82-L85 HydrophobicContact CG2-CB 4.13Å; I82-L85 HydrophobicContact CG2-CD1 4.41Å; I82-L85 VanDerWaalsContact O-CB 3.26Å; I82-L85 WeakPolarHBondContact O-CB 3.41Å; I82-L85 PolarHBondContact O-N 2.89Å
83K96.3Very high98.3Very high134 Ų13452.2 Ų52.258%0.58327%0.27SS*.THydrogen-bonded Turntrans-67.7142.2176.1-60.6-169.5178.1-174.50110.4N63 E64 R81 L85N63-K83 WeakPolarHBondContact CB-O 3.37Å; N63-K83 PolarHBondContact ND2-O 3.02Å; E64-K83 HydrophobicContact CG-CB 3.71Å; E64-K83 WeakPolarHBondContact OE2-CD 3.31Å; R81-K83 PolarHBondContact O-N 3.34Å; R81-K83 VanDerWaalsContact O-N 3.13Å; K83-L85 PolarHBondContact O-N 2.97Å
84G97.3Very high98.3Very high23 Ų2357.9 Ų57.924%0.23730%0.296CS..THydrogen-bonded Turntrans72.87.1-176.300000114.8V75 T86V75-G84 VanDerWaalsContact CB-O 3.27Å; V75-G84 WeakPolarHBondContact CB-O 3.07Å; V75-G84 WeakPolarHBondContact CG2-O 3.32Å; G84-T86 PolarHBondContact O-N 3.47Å
85L98.5Very high98.3Very high43 Ų4354.8 Ų54.823%0.22528%0.283CS..  trans-57.7127.7174.7-175.972.5000110.5V75 G77 I82 K83 K88V75-L85 WeakPolarHBondContact O-CD1 3.21Å; G77-L85 VanDerWaalsContact N-CD1 3.33Å; I82-L85 HydrophobicContact CB-CB 4.24Å; I82-L85 HydrophobicContact CG2-CB 4.13Å; I82-L85 HydrophobicContact CG2-CD1 4.41Å; I82-L85 VanDerWaalsContact O-CB 3.26Å; I82-L85 WeakPolarHBondContact O-CB 3.41Å; I82-L85 PolarHBondContact O-N 2.89Å; K83-L85 PolarHBondContact O-N 2.97Å; L85-K88 HydrophobicContact CD2-CB 4.21Å; L85-K88 HydrophobicContact CD2-CG 4.42Å
86T98.3Very high98.3Very high60 Ų6060.8 Ų60.837%0.36831%0.309SS..  trans-111-30.8176.763.90000112.1V67 K74 V75 G84V67-T86 HydrophobicContact CG2-CG2 4.46Å; K74-T86 WeakPolarHBondContact CA-OG1 3.28Å; V75-T86 PolarHBondContact N-OG1 3.29Å; V75-T86 PolarHBondContact O-N 3.15Å; V75-T86 PolarHBondContact O-OG1 3.44Å; G84-T86 PolarHBondContact O-N 3.47Å
87D98.5Very high98.1Very high47 Ų4760.2 Ų60.225%0.25131%0.307SS..EExtended strand (participates in β ladder)trans-138.1102.2-172.2-63.2-97.1000109.4K74 V75 Y76K74-D87 VanDerWaalsContact CD-OD2 3.31Å; K74-D87 WeakPolarHBondContact CD-OD2 3.39Å; K74-D87 IonicContact NZ-OD1 2.78Å; K74-D87 PolarHBondContact NZ-OD1 2.93Å; K74-D87 VanDerWaalsContact NZ-OD1 3.15Å; K74-D87 IonicContact NZ-OD2 3.91Å; K74-D87 PolarHBondContact NZ-OD2 3.47Å; V75-D87 PolarHBondContact O-N 3.41Å; Y76-D87 WeakPolarHBondContact CA-O 3.26Å; Y76-D87 HydrophobicContact CD1-CB 3.6Å; Y76-D87 HydrophobicContact CE1-CB 3.57Å; Y76-D87 HydrophobicContact CG-CB 4.39Å
88K98.6Very high97.8Very high108 Ų10864.5 Ų64.547%0.4733%0.33SS..EExtended strand (participates in β ladder)trans-73.1131.6177.2-166.2174.5-169.6169.20110.3G77 A78 D80 L85G77-K88 CarbonylContact O-C 3.58Å; G77-K88 VanDerWaalsContact O-CA 3.31Å; G77-K88 WeakPolarHBondContact O-CA 3.25Å; A78-K88 WeakPolarHBondContact O-CE 2.94Å; D80-K88 WeakPolarHBondContact OD1-CD 3.35Å; D80-K88 WeakPolarHBondContact OD1-CE 3.35Å; D80-K88 IonicContact OD1-NZ 3.93Å; D80-K88 PolarHBondContact OD1-NZ 3.22Å; D80-K88 IonicContact OD2-NZ 2.84Å; D80-K88 PolarHBondContact OD2-NZ 2.72Å; L85-K88 HydrophobicContact CD2-CB 4.21Å; L85-K88 HydrophobicContact CD2-CG 4.42Å
89V98.6Very high97.6Very high4 Ų465.6 Ų65.62%0.02434%0.337CS..  trans-109.4155179.2-63.90000112.2Y76 G77 Q93 L95 C104 M115 Y117Y76-V89 HydrophobicContact CD1-CG1 3.64Å; Y76-V89 HydrophobicContact CG-CG1 4.35Å; G77-V89 PolarHBondContact O-N 3.29Å; V89-Q93 VanDerWaalsContact CA-OE1 3.29Å; V89-L95 HydrophobicContact CG1-CD1 4.24Å; V89-L95 HydrophobicContact CG1-CD2 4.31Å; V89-C104 HydrophobicContact CB-CB 4.5Å; V89-C104 HydrophobicContact CG2-CB 4.39Å; V89-M115 HydrophobicContact CG2-CE 4.2Å; V89-M115 HydrophobicContact CG2-CG 4.43Å; V89-Y117 HydrophobicContact CG2-CE1 4.46Å
90T98.3Very high97.5Very high94 Ų9465 Ų6558%0.57733%0.334SS*.  trans-115.8169.1177.161.50000112Q93T90-Q93 VanDerWaalsContact N-OE1 3.08Å; T90-Q93 VanDerWaalsContact O-CB 3.27Å; T90-Q93 WeakPolarHBondContact O-CB 3.34Å; T90-Q93 PolarHBondContact O-N 2.79Å
91D98.6Very high97.5Very high81 Ų8160 Ų6043%0.43331%0.307SS..THydrogen-bonded Turntrans-54.2142.8174.6-17354.6000112.3Q93 F106D91-Q93 PolarHBondContact O-N 3.32Å; D91-F106 HydrophobicContact CB-CB 3.59Å; D91-F106 PolarHBondContact OD1-N 2.8Å
92S98.2Very high97.5Very high60 Ų6055.2 Ų55.242%0.4229%0.289SS..THydrogen-bonded Turntrans59.16178.9-61.90000115.5E94 C104S92-E94 PolarHBondContact O-N 3.26Å; S92-C104 VanDerWaalsContact CA-O 3.28Å; S92-C104 WeakPolarHBondContact CA-O 3.21Å; S92-C104 PolarHBondContact N-O 3.22Å
93Q98.6Very high97.5Very high66 Ų6658.2 Ų58.231%0.30830%0.302SS..  trans-66131.6174.8-178.3176.8-11.500110.1V89 T90 D91 L95 C104V89-Q93 VanDerWaalsContact CA-OE1 3.29Å; T90-Q93 VanDerWaalsContact N-OE1 3.08Å; T90-Q93 VanDerWaalsContact O-CB 3.27Å; T90-Q93 WeakPolarHBondContact O-CB 3.34Å; T90-Q93 PolarHBondContact O-N 2.79Å; D91-Q93 PolarHBondContact O-N 3.32Å; Q93-L95 HydrophobicContact CG-CD2 4.27Å; Q93-C104 HydrophobicContact CB-CB 4.39Å; Q93-C104 WeakPolarHBondContact O-CB 3.33Å; Q93-C104 PolarHBondContact O-N 3.17Å; Q93-C104 PolarHBondContact O-SG 3.05Å; Q93-C104 VanDerWaalsContact O-SG 3.34Å
94E98.6Very high97.7Very high126 Ų12651.8 Ų51.859%0.58927%0.274SS*.EExtended strand (participates in β ladder)trans-97.7134.6173.9-67.7-178.4-178.800110.7S92 V102 K103S92-E94 PolarHBondContact O-N 3.26Å; E94-V102 CarbonylContact C-O 3.52Å; E94-V102 VanDerWaalsContact CA-O 3.27Å; E94-V102 WeakPolarHBondContact CA-O 3.49Å; E94-K103 HydrophobicContact CG-CB 4.4Å; E94-K103 HydrophobicContact CG-CG 4.36Å
95L98.5Very high97.7Very high17 Ų1751.1 Ų51.19%0.08927%0.265CS..EExtended strand (participates in β ladder)trans-115.7149.2171.4-48.1173.9000108L51 Y76 V89 Q93 F97 V102L51-L95 HydrophobicContact CD2-CD1 4.19Å; Y76-L95 HydrophobicContact CD1-CD1 3.69Å; Y76-L95 HydrophobicContact CD1-CD2 4.25Å; Y76-L95 HydrophobicContact CD2-CD1 4.37Å; Y76-L95 HydrophobicContact CE1-CD1 3.96Å; Y76-L95 HydrophobicContact CE1-CD2 3.98Å; Y76-L95 HydrophobicContact CG-CD1 3.91Å; V89-L95 HydrophobicContact CG1-CD1 4.24Å; V89-L95 HydrophobicContact CG1-CD2 4.31Å; Q93-L95 HydrophobicContact CG-CD2 4.27Å; L95-F97 HydrophobicContact CB-CD2 4.48Å; L95-F97 HydrophobicContact CB-CE2 3.69Å; L95-F97 HydrophobicContact CB-CZ 4.04Å; L95-F97 HydrophobicContact CD1-CE2 4.12Å; L95-F97 HydrophobicContact CD1-CZ 4.1Å; L95-V102 HydrophobicContact CB-CB 4.22Å; L95-V102 PolarHBondContact N-O 2.7Å; L95-V102 PolarHBondContact O-N 2.93Å
96K97.1Very high97.8Very high127 Ų12752.7 Ų52.755%0.55227%0.27SS*.EExtended strand (participates in β ladder)trans-131.8129177.5-170.7163.4-171.2133.50110.8N98 N101 D122K96-N98 WeakPolarHBondContact CE-O 3.49Å; K96-N98 WeakPolarHBondContact CG-O 3.28Å; K96-N101 WeakPolarHBondContact CD-OD1 3.36Å; K96-N101 WeakPolarHBondContact CE-OD1 3.35Å; K96-N101 PolarHBondContact NZ-OD1 3.18Å; K96-D122 IonicContact NZ-OD2 2.86Å; K96-D122 PolarHBondContact NZ-OD2 2.96Å
97F95.5Very high97.8Very high21 Ų2149.8 Ų49.89%0.09225%0.253CS..EExtended strand (participates in β ladder)trans-128.490.2-179.8-57.4-77.1000108.3I26 I48 A49 Y76 L95 S99 I100 V102I26-F97 HydrophobicContact CD1-CB 3.83Å; I26-F97 HydrophobicContact CD1-CD2 3.33Å; I26-F97 HydrophobicContact CD1-CE2 3.98Å; I26-F97 HydrophobicContact CD1-CG 3.68Å; I26-F97 HydrophobicContact CG1-CB 4.41Å; I26-F97 HydrophobicContact CG1-CD2 4.23Å; I26-F97 HydrophobicContact CG1-CG 4.23Å; I48-F97 HydrophobicContact CD1-CB 3.77Å; I48-F97 HydrophobicContact CD1-CD1 3.95Å; I48-F97 HydrophobicContact CD1-CG 4.21Å; A49-F97 HydrophobicContact CB-CD1 4.15Å; A49-F97 HydrophobicContact CB-CE1 3.54Å; A49-F97 HydrophobicContact CB-CZ 3.82Å; Y76-F97 HydrophobicContact CD2-CZ 4.14Å; Y76-F97 AromaticContact CE2-CE1 3.82Å; Y76-F97 HydrophobicContact CE2-CE1 3.82Å; Y76-F97 AromaticContact CE2-CZ 3.53Å; Y76-F97 HydrophobicContact CE2-CZ 3.53Å; Y76-F97 AromaticContact CZ-CZ 3.9Å; L95-F97 HydrophobicContact CB-CD2 4.48Å; L95-F97 HydrophobicContact CB-CE2 3.69Å; L95-F97 HydrophobicContact CB-CZ 4.04Å; L95-F97 HydrophobicContact CD1-CE2 4.12Å; L95-F97 HydrophobicContact CD1-CZ 4.1Å; F97-S99 PolarHBondContact O-N 2.88Å; F97-I100 HydrophobicContact CB-CB 4.45Å; F97-I100 PolarHBondContact N-O 3.43Å; F97-I100 WeakPolarHBondContact O-CB 3.46Å; F97-I100 PolarHBondContact O-N 3.41Å; F97-V102 HydrophobicContact CD2-CG2 3.94Å; F97-V102 HydrophobicContact CE2-CG2 3.96Å
98N92.9Very high97.8Very high91 Ų9148.5 Ų48.549%0.48725%0.247SC..THydrogen-bonded Turntrans56.1-118.2-169.5-166.920.8000111.4E19 S22 K96E19-N98 PolarHBondContact OE2-ND2 3.42Å; S22-N98 PolarHBondContact OG-ND2 3.25Å; K96-N98 WeakPolarHBondContact CE-O 3.49Å; K96-N98 WeakPolarHBondContact CG-O 3.28Å
99S93.7Very high97.8Very high37 Ų3743.4 Ų43.426%0.25922%0.224SC..THydrogen-bonded Turntrans-83.6-12.5175.955.10000113.8E19 F97 N101E19-S99 WeakPolarHBondContact CG-OG 3.23Å; F97-S99 PolarHBondContact O-N 2.88Å; S99-N101 PolarHBondContact O-N 2.89Å
100I96.9Very high97.8Very high2 Ų243.4 Ų43.41%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-81.5115.7178.4-60.2173.9000109V17 E19 I26 F97 V102 V119 E121V17-I100 HydrophobicContact CG1-CD1 3.95Å; E19-I100 HydrophobicContact CB-CD1 3.73Å; E19-I100 HydrophobicContact CB-CG1 4.08Å; E19-I100 HydrophobicContact CG-CD1 4.43Å; E19-I100 HydrophobicContact CG-CG1 4.24Å; I26-I100 HydrophobicContact CD1-CB 4.37Å; I26-I100 HydrophobicContact CD1-CD1 4.21Å; I26-I100 HydrophobicContact CD1-CG2 3.89Å; F97-I100 HydrophobicContact CB-CB 4.45Å; F97-I100 PolarHBondContact N-O 3.43Å; F97-I100 WeakPolarHBondContact O-CB 3.46Å; F97-I100 PolarHBondContact O-N 3.41Å; I100-V102 HydrophobicContact CG2-CG2 4.11Å; I100-V119 HydrophobicContact CG2-CG1 3.34Å; I100-E121 HydrophobicContact CG1-CG 4.37Å
101N98.1Very high97.8Very high14 Ų1438.9 Ų38.98%0.07520%0.197CC..EExtended strand (participates in β ladder)trans-95.1139.6169.7-56.5-60.2000109.2K96 S99 V119 W120 D122K96-N101 WeakPolarHBondContact CD-OD1 3.36Å; K96-N101 WeakPolarHBondContact CE-OD1 3.35Å; K96-N101 PolarHBondContact NZ-OD1 3.18Å; S99-N101 PolarHBondContact O-N 2.89Å; N101-V119 VanDerWaalsContact O-CA 3.3Å; N101-V119 WeakPolarHBondContact O-CA 3.47Å; N101-V119 WeakPolarHBondContact O-CG1 3.43Å; N101-W120 HydrophobicContact CB-CD2 3.68Å; N101-W120 HydrophobicContact CB-CE3 4.01Å; N101-W120 HydrophobicContact CB-CG 4.31Å; N101-W120 HydrophobicContact CB-CH2 3.76Å; N101-W120 HydrophobicContact CB-CZ2 3.41Å; N101-W120 VanDerWaalsContact CB-CZ2 3.41Å; N101-W120 HydrophobicContact CB-CZ3 4.04Å; N101-W120 PolarHBondContact N-O 3.1Å; N101-W120 PolarHBondContact ND2-NE1 3.23Å; N101-W120 PolarHBondContact O-N 3.47Å; N101-D122 PolarHBondContact ND2-OD1 2.99Å; N101-D122 PolarHBondContact ND2-OD2 3.41Å
102V98.8Very high97.8Very high1 Ų137.8 Ų37.81%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-129.9128178.6-178.70000108.8I26 L51 E94 L95 F97 I100 Y117 Y118 V119I26-V102 HydrophobicContact CD1-CG2 4.43Å; L51-V102 HydrophobicContact CD1-CG1 4.02Å; L51-V102 HydrophobicContact CD1-CG2 4.38Å; E94-V102 CarbonylContact C-O 3.52Å; E94-V102 VanDerWaalsContact CA-O 3.27Å; E94-V102 WeakPolarHBondContact CA-O 3.49Å; L95-V102 HydrophobicContact CB-CB 4.22Å; L95-V102 PolarHBondContact N-O 2.7Å; L95-V102 PolarHBondContact O-N 2.93Å; F97-V102 HydrophobicContact CD2-CG2 3.94Å; F97-V102 HydrophobicContact CE2-CG2 3.96Å; I100-V102 HydrophobicContact CG2-CG2 4.11Å; V102-Y117 HydrophobicContact CG1-CD1 3.87Å; V102-Y117 HydrophobicContact CG1-CG 4.43Å; V102-Y118 CarbonylContact C-O 3.52Å; V102-Y118 VanDerWaalsContact CA-O 3.27Å; V102-Y118 WeakPolarHBondContact CA-O 3.41Å; V102-V119 HydrophobicContact CG1-CG2 4.26Å; V102-V119 HydrophobicContact CG2-CG1 4.2Å; V102-V119 HydrophobicContact CG2-CG2 4.07Å
103K98.9Very high97.8Very high66 Ų6635.1 Ų35.129%0.28718%0.177SC..EExtended strand (participates in β ladder)trans-107.5123.9168.7-174.5172.4-176.1172.50109.7E94 L105 Y118 W120E94-K103 HydrophobicContact CG-CB 4.4Å; E94-K103 HydrophobicContact CG-CG 4.36Å; K103-L105 HydrophobicContact CD-CD2 4.14Å; K103-L105 HydrophobicContact CG-CD2 3.99Å; K103-Y118 HydrophobicContact CB-CD1 4.34Å; K103-Y118 PolarHBondContact N-O 3.32Å; K103-Y118 PolarHBondContact O-N 3.24Å; K103-W120 HydrophobicContact CB-CH2 4.22Å; K103-W120 HydrophobicContact CB-CZ3 3.81Å
104C98.9Very high97.8Very high0 Ų032 Ų320%016%0.162CC..EExtended strand (participates in β ladder)trans-79.1125.1175.8-55.60000108.9V89 S92 Q93 M115V89-C104 HydrophobicContact CB-CB 4.5Å; V89-C104 HydrophobicContact CG2-CB 4.39Å; S92-C104 VanDerWaalsContact CA-O 3.28Å; S92-C104 WeakPolarHBondContact CA-O 3.21Å; S92-C104 PolarHBondContact N-O 3.22Å; Q93-C104 HydrophobicContact CB-CB 4.39Å; Q93-C104 WeakPolarHBondContact O-CB 3.33Å; Q93-C104 PolarHBondContact O-N 3.17Å; Q93-C104 PolarHBondContact O-SG 3.05Å; Q93-C104 VanDerWaalsContact O-SG 3.34Å; C104-M115 VanDerWaalsContact C-SD 3.58Å; C104-M115 HydrophobicContact CB-CE 4.3Å; C104-M115 HydrophobicContact CB-CG 4.39Å; C104-M115 HydrophobicContact CB-SD 3.6Å
105L98.9Very high97.8Very high8 Ų826 Ų264%0.04213%0.134CC..EExtended strand (participates in β ladder)trans-118.5105.8-179.6-56.6176.8000109.1K103 T107 M115 C116 V159 L163K103-L105 HydrophobicContact CD-CD2 4.14Å; K103-L105 HydrophobicContact CG-CD2 3.99Å; L105-T107 PolarHBondContact O-N 3.44Å; L105-M115 PolarHBondContact N-SD 3.19Å; L105-C116 HydrophobicContact CB-CB 4.11Å; L105-C116 PolarHBondContact N-O 2.85Å; L105-C116 PolarHBondContact O-N 3.28Å; L105-V159 HydrophobicContact CB-CG1 3.88Å; L105-V159 HydrophobicContact CD1-CG1 4.4Å; L105-V159 HydrophobicContact CD2-CG1 4.37Å; L105-V159 HydrophobicContact CG-CG1 4.45Å; L105-L163 HydrophobicContact CD1-CD1 3.96Å; L105-L163 HydrophobicContact CD1-CD2 4.16Å; L105-L163 HydrophobicContact CD1-CG 4.43Å
106F98.8Very high97.9Very high76 Ų7625.2 Ų25.233%0.33313%0.13SC..EExtended strand (participates in β ladder)trans-73.5120-176.8-173.9-129.9000110.2A78 D91 P108 S112 D114 M115A78-F106 HydrophobicContact CB-CD2 4.36Å; A78-F106 HydrophobicContact CB-CE2 4.41Å; D91-F106 HydrophobicContact CB-CB 3.59Å; D91-F106 PolarHBondContact OD1-N 2.8Å; F106-P108 VanDerWaalsContact C-CD 3.48Å; F106-P108 HydrophobicContact CD1-CG 4.06Å; F106-P108 HydrophobicContact CE1-CB 4.15Å; F106-P108 HydrophobicContact CE1-CG 3.64Å; F106-P108 HydrophobicContact CE2-CB 4.32Å; F106-P108 HydrophobicContact CE2-CG 4.5Å; F106-P108 HydrophobicContact CZ-CB 3.86Å; F106-P108 HydrophobicContact CZ-CG 3.89Å; F106-S112 WeakPolarHBondContact CZ-O 3.5Å; F106-D114 VanDerWaalsContact CD2-O 3.28Å; F106-D114 WeakPolarHBondContact CD2-O 3.22Å; F106-M115 HydrophobicContact CB-CE 3.88Å; F106-M115 HydrophobicContact CB-SD 4.46Å; F106-M115 HydrophobicContact CD2-CE 3.89Å; F106-M115 HydrophobicContact CG-CE 4.32Å
107T98.8Very high98Very high0 Ų019.1 Ų19.10%010%0.104CC..  trans-130.959.2-172.252.80000111.9L105 C109 D114 C116 T135 N155 V159L105-T107 PolarHBondContact O-N 3.44Å; T107-C109 PolarHBondContact O-N 2.64Å; T107-D114 PolarHBondContact N-O 2.84Å; T107-D114 WeakPolarHBondContact O-CB 3.31Å; T107-C116 HydrophobicContact CG2-CB 4.36Å; T107-C116 PolarHBondContact OG1-SG 3.23Å; T107-T135 HydrophobicContact CG2-CG2 4.38Å; T107-T135 PolarHBondContact OG1-OG1 2.74Å; T107-T135 VanDerWaalsContact OG1-OG1 3.1Å; T107-N155 WeakPolarHBondContact CA-ND2 3.43Å; T107-N155 HydrophobicContact CG2-CB 4.02Å; T107-N155 PolarHBondContact O-ND2 3.24Å; T107-N155 VanDerWaalsContact O-ND2 3.09Å; T107-V159 HydrophobicContact CG2-CB 4.49Å; T107-V159 HydrophobicContact CG2-CG1 4.09Å
108P98.8Very high98.1Very high20 Ų2019.5 Ų19.513%0.1311%0.105CC..  trans-64.3125.2-17729.1-35.8000110F106 T111 Q151 N155F106-P108 VanDerWaalsContact C-CD 3.48Å; F106-P108 HydrophobicContact CD1-CG 4.06Å; F106-P108 HydrophobicContact CE1-CB 4.15Å; F106-P108 HydrophobicContact CE1-CG 3.64Å; F106-P108 HydrophobicContact CE2-CB 4.32Å; F106-P108 HydrophobicContact CE2-CG 4.5Å; F106-P108 HydrophobicContact CZ-CB 3.86Å; F106-P108 HydrophobicContact CZ-CG 3.89Å; P108-T111 CarbonylContact C-O 3.52Å; P108-T111 WeakPolarHBondContact CA-O 3.48Å; P108-Q151 WeakPolarHBondContact O-CB 3.48Å; P108-N155 PolarHBondContact O-ND2 3.14Å
109C98.8Very high98.4Very high0 Ų015.3 Ų15.30%08%0.082CC..SBendtrans-174.1-55.1164.8-177.40000110.5T107 T111 F144 E146 G147 T148 Q151 M152T107-C109 PolarHBondContact O-N 2.64Å; C109-T111 PolarHBondContact N-O 3.33Å; C109-F144 WeakPolarHBondContact SG-CD1 3.28Å; C109-F144 WeakPolarHBondContact SG-CG 3.44Å; C109-E146 CarbonylContact O-C 3.6Å; C109-E146 PolarHBondContact O-N 3.49Å; C109-G147 WeakPolarHBondContact O-CA 3.47Å; C109-G147 PolarHBondContact O-N 3.46Å; C109-T148 PolarHBondContact SG-O 3.21Å; C109-Q151 HydrophobicContact CB-CB 4.13Å; C109-M152 HydrophobicContact CB-CB 4.29Å; C109-M152 HydrophobicContact CB-CE 3.87Å
110H98.8Very high98.6Very high4 Ų416.1 Ų16.12%0.0198%0.08CC..SBendtrans-62.4-52.1177.3171.766.9000109.6H54 H56 D114 D134 R143 L145 E146H54-H110 AromaticContact CD2-CD2 3.94Å; H54-H110 AromaticContact NE2-CD2 3.74Å; H54-H110 AromaticContact NE2-NE2 3.6Å; H56-H110 AromaticContact CE1-CD2 3.82Å; H56-H110 AromaticContact CE1-CE1 3.68Å; H56-H110 AromaticContact CE1-NE2 3.06Å; H56-H110 PolarHBondContact CE1-NE2 2.88Å; H56-H110 AromaticContact ND1-CD2 3.85Å; H56-H110 AromaticContact ND1-CE1 3.94Å; H56-H110 AromaticContact ND1-NE2 3.02Å; H56-H110 PolarHBondContact ND1-NE2 3.08Å; H110-D114 WeakPolarHBondContact CB-OD2 3.5Å; H110-D114 IonicContact CD2-OD2 3.49Å; H110-D114 IonicContact CG-OD2 3.68Å; H110-D134 HydrophobicContact CB-CB 4.42Å; H110-D134 WeakPolarHBondContact CD2-CB 3.47Å; H110-D134 IonicContact CE1-OD2 2.94Å; H110-D134 IonicContact NE2-OD2 3.06Å; H110-D134 PolarHBondContact NE2-OD2 2.9Å; H110-R143 VanDerWaalsContact CA-O 3.26Å; H110-R143 WeakPolarHBondContact CA-O 3.33Å; H110-R143 PolarHBondContact ND1-O 3.24Å; H110-L145 VanDerWaalsContact O-CB 3.28Å; H110-L145 WeakPolarHBondContact O-CB 3.4Å; H110-L145 PolarHBondContact O-N 2.88Å; H110-E146 PolarHBondContact O-N 2.99Å
111T98.8Very high98.5Very high0 Ų017.6 Ų17.60%09%0.087CC..SBendtrans-117.8162158.269.30000109.8H54 Y55 H56 P108 C109 G113 D114H54-T111 HydrophobicContact CB-CG2 4.19Å; H54-T111 WeakPolarHBondContact CB-OG1 3.13Å; Y55-T111 HydrophobicContact CD1-CG2 3.87Å; Y55-T111 HydrophobicContact CE1-CG2 3.52Å; H56-T111 WeakPolarHBondContact CE1-CG2 3.39Å; P108-T111 CarbonylContact C-O 3.52Å; P108-T111 WeakPolarHBondContact CA-O 3.48Å; C109-T111 PolarHBondContact N-O 3.33Å; T111-G113 PolarHBondContact O-N 3.27Å; T111-D114 WeakPolarHBondContact CA-OD2 3.43Å; T111-D114 WeakPolarHBondContact CB-OD2 3.39Å; T111-D114 PolarHBondContact N-OD2 3.33Å; T111-D114 VanDerWaalsContact OG1-CG 3.24Å; T111-D114 PolarHBondContact OG1-N 3.42Å; T111-D114 VanDerWaalsContact OG1-N 3.17Å; T111-D114 PolarHBondContact OG1-OD2 2.92Å
112S98.6Very high98.3Very high58 Ų5821.3 Ų21.341%0.40611%0.107SC..THydrogen-bonded Turntrans-72.7-11.9175.350.80000113.4R81 F106 E146R81-S112 PolarHBondContact NH2-OG 3.14Å; F106-S112 WeakPolarHBondContact CZ-O 3.5Å; S112-E146 WeakPolarHBondContact CB-OE2 3.39Å; S112-E146 PolarHBondContact N-OE2 3.07Å; S112-E146 PolarHBondContact OG-OE2 3.38Å
113G98.2Very high97.7Very high3 Ų331.2 Ų31.23%0.03115%0.153CC..THydrogen-bonded Turntrans-115.416.4-179.300000114.5T111T111-G113 PolarHBondContact O-N 3.27Å
114D98.6Very high97.1Very high0 Ų030.3 Ų30.30%015%0.154CC..  trans-63.4136.5-179.1-99.4-69.9000112.6T53 H54 F106 T107 H110 T111T53-D114 CarbonylContact O-C 3.53Å; T53-D114 WeakPolarHBondContact O-CA 3.21Å; H54-D114 WeakPolarHBondContact CB-OD1 3.42Å; H54-D114 IonicContact CG-OD1 3.78Å; H54-D114 IonicContact ND1-OD1 3.32Å; F106-D114 VanDerWaalsContact CD2-O 3.28Å; F106-D114 WeakPolarHBondContact CD2-O 3.22Å; T107-D114 PolarHBondContact N-O 2.84Å; T107-D114 WeakPolarHBondContact O-CB 3.31Å; H110-D114 WeakPolarHBondContact CB-OD2 3.5Å; H110-D114 IonicContact CD2-OD2 3.49Å; H110-D114 IonicContact CG-OD2 3.68Å; T111-D114 WeakPolarHBondContact CA-OD2 3.43Å; T111-D114 WeakPolarHBondContact CB-OD2 3.39Å; T111-D114 PolarHBondContact N-OD2 3.33Å; T111-D114 VanDerWaalsContact OG1-CG 3.24Å; T111-D114 PolarHBondContact OG1-N 3.42Å; T111-D114 VanDerWaalsContact OG1-N 3.17Å; T111-D114 PolarHBondContact OG1-OD2 2.92Å
115M98.8Very high96.5Very high1 Ų137.1 Ų37.11%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-133.1122.8179.4-173.761.365.300109.8T53 A78 V89 C104 L105 F106 Y117T53-M115 WeakPolarHBondContact CA-O 3.01Å; T53-M115 WeakPolarHBondContact CB-O 3.37Å; T53-M115 PolarHBondContact O-N 3.46Å; A78-M115 HydrophobicContact CB-CB 4.28Å; A78-M115 HydrophobicContact CB-CE 3.56Å; V89-M115 HydrophobicContact CG2-CE 4.2Å; V89-M115 HydrophobicContact CG2-CG 4.43Å; C104-M115 VanDerWaalsContact C-SD 3.58Å; C104-M115 HydrophobicContact CB-CE 4.3Å; C104-M115 HydrophobicContact CB-CG 4.39Å; C104-M115 HydrophobicContact CB-SD 3.6Å; L105-M115 PolarHBondContact N-SD 3.19Å; F106-M115 HydrophobicContact CB-CE 3.88Å; F106-M115 HydrophobicContact CB-SD 4.46Å; F106-M115 HydrophobicContact CD2-CE 3.89Å; F106-M115 HydrophobicContact CG-CE 4.32Å; M115-Y117 HydrophobicContact CB-CE2 4.26Å; M115-Y117 HydrophobicContact CG-CD1 4.23Å; M115-Y117 HydrophobicContact CG-CE1 3.64Å; M115-Y117 HydrophobicContact CG-CE2 3.99Å
116C98.9Very high96.1Very high0 Ų040.8 Ų40.80%022%0.216CC..EExtended strand (participates in β ladder)trans-89.6147.7164.7-61.70000109.7L105 T107 V130 F131L105-C116 HydrophobicContact CB-CB 4.11Å; L105-C116 PolarHBondContact N-O 2.85Å; L105-C116 PolarHBondContact O-N 3.28Å; T107-C116 HydrophobicContact CG2-CB 4.36Å; T107-C116 PolarHBondContact OG1-SG 3.23Å; C116-V130 HydrophobicContact CB-CG2 4.27Å; C116-F131 CarbonylContact C-O 3.47Å; C116-F131 WeakPolarHBondContact CA-O 3.34Å; C116-F131 WeakPolarHBondContact CB-O 3.5Å
117Y98.9Very high95.9Very high0 Ų038.5 Ų38.50%021%0.211CC..EExtended strand (participates in β ladder)trans-118.8110.3178.3-62.3-78.6000110.1L51 T52 T53 Y76 G77 V89 V102 M115 V130 F131L51-Y117 HydrophobicContact CB-CD1 4.32Å; L51-Y117 HydrophobicContact CB-CD2 3.79Å; L51-Y117 HydrophobicContact CB-CE1 4.22Å; L51-Y117 HydrophobicContact CB-CE2 3.68Å; L51-Y117 HydrophobicContact CB-CG 4.1Å; L51-Y117 HydrophobicContact CD1-CD1 4Å; L51-Y117 HydrophobicContact CD1-CD2 4.33Å; L51-Y117 HydrophobicContact CD1-CG 3.84Å; L51-Y117 HydrophobicContact CD2-CD1 4.17Å; L51-Y117 HydrophobicContact CD2-CE1 4.01Å; L51-Y117 HydrophobicContact CG-CD1 4.38Å; L51-Y117 HydrophobicContact CG-CE1 4.49Å; L51-Y117 HydrophobicContact CG-CG 4.42Å; T52-Y117 PolarHBondContact O-OH 3.06Å; T52-Y117 VanDerWaalsContact O-OH 3.09Å; T53-Y117 HydrophobicContact CG2-CD2 4.23Å; T53-Y117 HydrophobicContact CG2-CE2 4.25Å; Y76-Y117 PolarHBondContact O-OH 2.93Å; G77-Y117 WeakPolarHBondContact CA-OH 3.33Å; V89-Y117 HydrophobicContact CG2-CE1 4.46Å; V102-Y117 HydrophobicContact CG1-CD1 3.87Å; V102-Y117 HydrophobicContact CG1-CG 4.43Å; M115-Y117 HydrophobicContact CB-CE2 4.26Å; M115-Y117 HydrophobicContact CG-CD1 4.23Å; M115-Y117 HydrophobicContact CG-CE1 3.64Å; M115-Y117 HydrophobicContact CG-CE2 3.99Å; Y117-V130 CarbonylContact O-C 3.56Å; Y117-V130 WeakPolarHBondContact O-CA 3.41Å; Y117-F131 PolarHBondContact N-O 3.25Å; Y117-F131 PolarHBondContact O-N 3.39Å
118Y98.9Very high95.8Very high29 Ų2939.1 Ų39.111%0.11422%0.215CC..EExtended strand (participates in β ladder)trans-88.2129.3172.7175.2-112.9000109.9V102 K103 W120 P128 A129 V130 L163 P164 T167V102-Y118 CarbonylContact C-O 3.52Å; V102-Y118 VanDerWaalsContact CA-O 3.27Å; V102-Y118 WeakPolarHBondContact CA-O 3.41Å; K103-Y118 HydrophobicContact CB-CD1 4.34Å; K103-Y118 PolarHBondContact N-O 3.32Å; K103-Y118 PolarHBondContact O-N 3.24Å; Y118-W120 AromaticContact CD1-CE3 3.57Å; Y118-W120 HydrophobicContact CD1-CE3 3.57Å; Y118-W120 AromaticContact CD1-CZ3 3.68Å; Y118-W120 HydrophobicContact CD1-CZ3 3.68Å; Y118-W120 HydrophobicContact CE1-CD2 4.18Å; Y118-W120 AromaticContact CE1-CE3 3.53Å; Y118-W120 HydrophobicContact CE1-CE3 3.53Å; Y118-W120 AromaticContact CE1-CZ3 3.96Å; Y118-W120 HydrophobicContact CE1-CZ3 3.96Å; Y118-P128 HydrophobicContact CE2-CB 3.54Å; Y118-P128 HydrophobicContact CE2-CG 3.8Å; Y118-P128 WeakPolarHBondContact OH-CB 3.48Å; Y118-P128 VanDerWaalsContact OH-CG 3.24Å; Y118-P128 WeakPolarHBondContact OH-CG 3.35Å; Y118-A129 CarbonylContact C-O 3.52Å; Y118-A129 WeakPolarHBondContact CA-O 3.41Å; Y118-A129 WeakPolarHBondContact CD2-O 3.31Å; Y118-V130 HydrophobicContact CD2-CB 4.39Å; Y118-L163 HydrophobicContact CD1-CD2 4.03Å; Y118-L163 HydrophobicContact CD2-CD1 3.76Å; Y118-L163 HydrophobicContact CD2-CD2 3.82Å; Y118-L163 HydrophobicContact CD2-CG 4.29Å; Y118-L163 HydrophobicContact CE1-CD2 4.32Å; Y118-L163 HydrophobicContact CE2-CB 4.48Å; Y118-L163 HydrophobicContact CE2-CD1 4.36Å; Y118-L163 HydrophobicContact CE2-CD2 4.09Å; Y118-L163 HydrophobicContact CG-CD1 4.23Å; Y118-L163 HydrophobicContact CG-CD2 3.76Å; Y118-P164 WeakPolarHBondContact OH-CD 3.37Å; Y118-T167 HydrophobicContact CD2-CG2 3.94Å; Y118-T167 HydrophobicContact CE2-CG2 3.72Å
119V98.6Very high95.8Very high2 Ų238.2 Ų38.21%0.01221%0.209CC..EExtended strand (participates in β ladder)trans-133.3132.8-167.2-170.40000110.7M1 V17 I100 N101 V102 P128 A129 F131M1-V119 HydrophobicContact CE-CG1 4.4Å; M1-V119 HydrophobicContact SD-CB 4.25Å; M1-V119 HydrophobicContact SD-CG1 3.48Å; M1-V119 WeakPolarHBondContact SD-CG1 3.32Å; V17-V119 HydrophobicContact CG1-CG1 4.3Å; I100-V119 HydrophobicContact CG2-CG1 3.34Å; N101-V119 VanDerWaalsContact O-CA 3.3Å; N101-V119 WeakPolarHBondContact O-CA 3.47Å; N101-V119 WeakPolarHBondContact O-CG1 3.43Å; V102-V119 HydrophobicContact CG1-CG2 4.26Å; V102-V119 HydrophobicContact CG2-CG1 4.2Å; V102-V119 HydrophobicContact CG2-CG2 4.07Å; V119-P128 WeakPolarHBondContact O-CA 3.5Å; V119-P128 WeakPolarHBondContact O-CB 3.47Å; V119-A129 PolarHBondContact N-O 2.98Å; V119-A129 PolarHBondContact O-N 2.94Å; V119-F131 HydrophobicContact CB-CE2 4.25Å; V119-F131 HydrophobicContact CG2-CD2 3.81Å; V119-F131 HydrophobicContact CG2-CE2 3.67Å
120W97.8Very high95.8Very high54 Ų5438.2 Ų38.221%0.20521%0.209CC..EExtended strand (participates in β ladder)trans-149.7166.3177.874.399.1000111.8N101 K103 Y118 D122 P128N101-W120 HydrophobicContact CB-CD2 3.68Å; N101-W120 HydrophobicContact CB-CE3 4.01Å; N101-W120 HydrophobicContact CB-CG 4.31Å; N101-W120 HydrophobicContact CB-CH2 3.76Å; N101-W120 HydrophobicContact CB-CZ2 3.41Å; N101-W120 VanDerWaalsContact CB-CZ2 3.41Å; N101-W120 HydrophobicContact CB-CZ3 4.04Å; N101-W120 PolarHBondContact N-O 3.1Å; N101-W120 PolarHBondContact ND2-NE1 3.23Å; N101-W120 PolarHBondContact O-N 3.47Å; K103-W120 HydrophobicContact CB-CH2 4.22Å; K103-W120 HydrophobicContact CB-CZ3 3.81Å; Y118-W120 AromaticContact CD1-CE3 3.57Å; Y118-W120 HydrophobicContact CD1-CE3 3.57Å; Y118-W120 AromaticContact CD1-CZ3 3.68Å; Y118-W120 HydrophobicContact CD1-CZ3 3.68Å; Y118-W120 HydrophobicContact CE1-CD2 4.18Å; Y118-W120 AromaticContact CE1-CE3 3.53Å; Y118-W120 HydrophobicContact CE1-CE3 3.53Å; Y118-W120 AromaticContact CE1-CZ3 3.96Å; Y118-W120 HydrophobicContact CE1-CZ3 3.96Å; W120-D122 PolarHBondContact NE1-OD1 2.97Å; W120-P128 HydrophobicContact CB-CB 3.89Å
121E95.6Very high95.8Very high33 Ų3338 Ų3815%0.15421%0.208CC..EExtended strand (participates in β ladder)trans-116.5138.1166.9-77.1171.7-17200108.5M1 I100 C124M1-E121 WeakPolarHBondContact CA-OE1 3.35Å; M1-E121 HydrophobicContact CB-CG 4.07Å; M1-E121 WeakPolarHBondContact CB-OE1 3.44Å; M1-E121 PolarHBondContact N-OE1 2.93Å; M1-E121 PolarHBondContact N-OE2 2.87Å; I100-E121 HydrophobicContact CG1-CG 4.37Å; E121-C124 HydrophobicContact CB-CB 3.69Å; E121-C124 WeakPolarHBondContact O-CB 3.37Å; E121-C124 PolarHBondContact OE2-SG 2.82Å
122D93.2Very high95.9Very high93 Ų9338 Ų3850%0.49721%0.208SC..THydrogen-bonded Turntrans-65.9141.4175.7-59.5-43.4000110.1K96 N101 W120 C124K96-D122 IonicContact NZ-OD2 2.86Å; K96-D122 PolarHBondContact NZ-OD2 2.96Å; N101-D122 PolarHBondContact ND2-OD1 2.99Å; N101-D122 PolarHBondContact ND2-OD2 3.41Å; W120-D122 PolarHBondContact NE1-OD1 2.97Å; D122-C124 PolarHBondContact O-N 2.65Å; D122-C124 VanDerWaalsContact O-N 3.07Å
123E86.3Confident95.9Very high208 Ų20835.4 Ų35.497%0.97219%0.19SC*.THydrogen-bonded Turntrans58.419.3179-54.1-178.7176.800114.9
124C86.4Confident95.9Very high47 Ų4735.9 Ų35.932%0.31819%0.192SC..  trans-87.9138176.1-161.90000111.2E121 D122 D126E121-C124 HydrophobicContact CB-CB 3.69Å; E121-C124 WeakPolarHBondContact O-CB 3.37Å; E121-C124 PolarHBondContact OE2-SG 2.82Å; D122-C124 PolarHBondContact O-N 2.65Å; D122-C124 VanDerWaalsContact O-N 3.07Å; C124-D126 VanDerWaalsContact C-N 3.31Å
125T86.5Confident95.9Very high144 Ų14435.9 Ų35.988%0.88319%0.192SC*.SBendtrans-79.3-16.3175.153.10000113.1
126D89.8Confident95.9Very high85 Ų8535.8 Ų35.846%0.45519%0.191SC..SBendtrans-73.9137.8177.2-72.4-36.7000110.7C124C124-D126 VanDerWaalsContact C-N 3.31Å
127A94.7Very high95.9Very high27 Ų2736.5 Ų36.522%0.22319%0.194CC..PPolyproline II helixtrans-59.8144.1174.500000111.6E166A127-E166 HydrophobicContact CB-CB 4.13Å; A127-E166 HydrophobicContact CB-CG 3.89Å; A127-E166 WeakPolarHBondContact CB-O 3.46Å
128P97.7Very high95.9Very high14 Ų1436.5 Ų36.59%0.09119%0.194CC..PPolyproline II helixtrans-65.1169.4177.330.7-37.4000111.6Y118 V119 W120 T167 K168Y118-P128 HydrophobicContact CE2-CB 3.54Å; Y118-P128 HydrophobicContact CE2-CG 3.8Å; Y118-P128 WeakPolarHBondContact OH-CB 3.48Å; Y118-P128 VanDerWaalsContact OH-CG 3.24Å; Y118-P128 WeakPolarHBondContact OH-CG 3.35Å; V119-P128 WeakPolarHBondContact O-CA 3.5Å; V119-P128 WeakPolarHBondContact O-CB 3.47Å; W120-P128 HydrophobicContact CB-CB 3.89Å; P128-T167 HydrophobicContact CG-CG2 4.48Å; P128-T167 WeakPolarHBondContact O-CA 3.1Å; P128-K168 PolarHBondContact O-N 3.04Å
129A98.7Very high95.9Very high0 Ų035.1 Ų35.10%019%0.189CC..EExtended strand (participates in β ladder)trans-124.7151.6-179.800000111.4M1 Y118 V119 F131 K168 F170M1-A129 HydrophobicContact CE-CB 3.76Å; Y118-A129 CarbonylContact C-O 3.52Å; Y118-A129 WeakPolarHBondContact CA-O 3.41Å; Y118-A129 WeakPolarHBondContact CD2-O 3.31Å; V119-A129 PolarHBondContact N-O 2.98Å; V119-A129 PolarHBondContact O-N 2.94Å; A129-F131 HydrophobicContact CB-CE2 4.32Å; A129-F131 HydrophobicContact CB-CZ 4.46Å; A129-K168 CarbonylContact C-O 3.46Å; A129-K168 WeakPolarHBondContact CA-O 3.46Å; A129-F170 HydrophobicContact CB-CD2 3.94Å; A129-F170 HydrophobicContact CB-CE2 3.79Å
130V98.9Very high95.9Very high0 Ų035 Ų350%019%0.188CC..EExtended strand (participates in β ladder)trans-127.9127.1167.364.60000109.5C116 Y117 Y118 T132 L163 T167 K168 V169 F170C116-V130 HydrophobicContact CB-CG2 4.27Å; Y117-V130 CarbonylContact O-C 3.56Å; Y117-V130 WeakPolarHBondContact O-CA 3.41Å; Y118-V130 HydrophobicContact CD2-CB 4.39Å; V130-T132 HydrophobicContact CB-CG2 4.45Å; V130-T132 HydrophobicContact CG1-CG2 3.89Å; V130-T132 HydrophobicContact CG2-CG2 3.91Å; V130-L163 HydrophobicContact CB-CD1 4.01Å; V130-L163 HydrophobicContact CG1-CD1 4.35Å; V130-L163 HydrophobicContact CG2-CD1 3.93Å; V130-T167 HydrophobicContact CB-CG2 3.9Å; V130-T167 HydrophobicContact CG1-CG2 3.77Å; V130-K168 PolarHBondContact N-O 3.35Å; V130-V169 HydrophobicContact CG1-CB 4.47Å; V130-V169 HydrophobicContact CG1-CG2 4.05Å; V130-F170 PolarHBondContact O-N 3.29Å
131F98.9Very high95.9Very high1 Ų132.6 Ų32.60%0.00418%0.179CC..EExtended strand (participates in β ladder)trans-95113.8172.3-59.4-83.5000108.3V3 Y15 V17 V28 C116 Y117 V119 A129 F170V3-F131 HydrophobicContact CG1-CE1 3.95Å; V3-F131 HydrophobicContact CG1-CZ 3.94Å; V3-F131 HydrophobicContact CG2-CZ 4.08Å; Y15-F131 HydrophobicContact CD1-CE1 4.25Å; Y15-F131 AromaticContact CD2-CD1 3.54Å; Y15-F131 HydrophobicContact CD2-CD1 3.54Å; Y15-F131 AromaticContact CD2-CE1 3.8Å; Y15-F131 HydrophobicContact CD2-CE1 3.8Å; Y15-F131 HydrophobicContact CE2-CD1 4.07Å; Y15-F131 AromaticContact CG-CD1 3.89Å; Y15-F131 HydrophobicContact CG-CD1 3.89Å; Y15-F131 AromaticContact CG-CE1 3.61Å; Y15-F131 HydrophobicContact CG-CE1 3.61Å; V17-F131 HydrophobicContact CG2-CE1 4.25Å; V17-F131 HydrophobicContact CG2-CE2 3.6Å; V17-F131 HydrophobicContact CG2-CZ 3.34Å; V28-F131 HydrophobicContact CB-CD1 4.19Å; V28-F131 HydrophobicContact CB-CG 4.4Å; V28-F131 HydrophobicContact CG1-CB 3.95Å; V28-F131 HydrophobicContact CG1-CD1 4.17Å; V28-F131 HydrophobicContact CG1-CG 4.1Å; V28-F131 HydrophobicContact CG2-CD1 3.9Å; V28-F131 HydrophobicContact CG2-CD2 4.07Å; V28-F131 HydrophobicContact CG2-CE1 4.15Å; V28-F131 HydrophobicContact CG2-CE2 4.32Å; V28-F131 HydrophobicContact CG2-CG 3.88Å; V28-F131 HydrophobicContact CG2-CZ 4.37Å; C116-F131 CarbonylContact C-O 3.47Å; C116-F131 WeakPolarHBondContact CA-O 3.34Å; C116-F131 WeakPolarHBondContact CB-O 3.5Å; Y117-F131 PolarHBondContact N-O 3.25Å; Y117-F131 PolarHBondContact O-N 3.39Å; V119-F131 HydrophobicContact CB-CE2 4.25Å; V119-F131 HydrophobicContact CG2-CD2 3.81Å; V119-F131 HydrophobicContact CG2-CE2 3.67Å; A129-F131 HydrophobicContact CB-CE2 4.32Å; A129-F131 HydrophobicContact CB-CZ 4.46Å; F131-F170 VanDerWaalsContact CA-O 3.31Å; F131-F170 WeakPolarHBondContact CA-O 3.49Å; F131-F170 HydrophobicContact CD1-CB 3.56Å; F131-F170 HydrophobicContact CD1-CG 4.25Å; F131-F170 HydrophobicContact CE1-CB 3.72Å; F131-F170 HydrophobicContact CE1-CD2 4.07Å; F131-F170 AromaticContact CE1-CG 3.89Å; F131-F170 HydrophobicContact CE1-CG 3.89Å; F131-F170 HydrophobicContact CG-CB 4.44Å; F131-F170 HydrophobicContact CZ-CD2 4.32Å
132T98.9Very high96.1Very high0 Ų031 Ų310%017%0.172CC..EExtended strand (participates in β ladder)trans-104.3-3.1-165.453.20000114.2V130 D134 T135 L136 I160 V169 F170 C171V130-T132 HydrophobicContact CB-CG2 4.45Å; V130-T132 HydrophobicContact CG1-CG2 3.89Å; V130-T132 HydrophobicContact CG2-CG2 3.91Å; T132-D134 PolarHBondContact O-N 2.86Å; T132-D134 VanDerWaalsContact O-N 3.14Å; T132-T135 WeakPolarHBondContact O-CB 3.31Å; T132-T135 PolarHBondContact O-N 3.45Å; T132-L136 WeakPolarHBondContact CB-O 3.42Å; T132-L136 HydrophobicContact CG2-CB 4.03Å; T132-L136 HydrophobicContact CG2-CD2 4.39Å; T132-L136 PolarHBondContact OG1-O 2.95Å; T132-I160 HydrophobicContact CG2-CD1 4.34Å; T132-V169 HydrophobicContact CG2-CG1 4.05Å; T132-F170 PolarHBondContact N-O 2.86Å; T132-F170 PolarHBondContact OG1-O 3.38Å; T132-C171 WeakPolarHBondContact OG1-CA 3.43Å; T132-C171 WeakPolarHBondContact OG1-CB 3.32Å
133G98.8Very high96.3Very high2 Ų233.3 Ų33.32%0.02117%0.174CC..EExtended strand (participates in β ladder)trans46.3-122.4-172.600000109.9G172G133-G172 PolarHBondContact O-N 2.71Å
134D98.8Very high96.9Very high13 Ų1325.3 Ų25.37%0.0714%0.136CC..THydrogen-bonded Turntrans-102.815-178.6-82.729000113.5H54 H59 H110 T132 F137 G142 H173H54-D134 IonicContact CE1-OD1 3.41Å; H59-D134 IonicContact CE1-OD1 3.47Å; H59-D134 PolarHBondContact CE1-OD1 2.92Å; H59-D134 IonicContact NE2-OD1 3.68Å; H59-D134 PolarHBondContact NE2-OD1 3.31Å; H110-D134 HydrophobicContact CB-CB 4.42Å; H110-D134 WeakPolarHBondContact CD2-CB 3.47Å; H110-D134 IonicContact CE1-OD2 2.94Å; H110-D134 IonicContact NE2-OD2 3.06Å; H110-D134 PolarHBondContact NE2-OD2 2.9Å; T132-D134 PolarHBondContact O-N 2.86Å; T132-D134 VanDerWaalsContact O-N 3.14Å; D134-F137 HydrophobicContact CB-CE1 4.47Å; D134-F137 HydrophobicContact CB-CZ 3.92Å; D134-G142 WeakPolarHBondContact O-CA 3.44Å; D134-G142 PolarHBondContact O-N 2.67Å; D134-G142 VanDerWaalsContact O-N 3.16Å; D134-H173 IonicContact OD1-CD2 3.18Å; D134-H173 PolarHBondContact OD1-CD2 2.82Å; D134-H173 IonicContact OD1-NE2 3.65Å; D134-H173 PolarHBondContact OD1-NE2 2.65Å; D134-H173 IonicContact OD2-CD2 3.6Å; D134-H173 IonicContact OD2-NE2 3.97Å; D134-H173 PolarHBondContact OD2-NE2 3.02Å
135T98.8Very high97.5Very high0 Ų027.2 Ų27.20%014%0.142CC..THydrogen-bonded Turntrans-78.7-59.5174.6-63.90000111.1T107 T132 C141 G142 M152 N155 L156 I160T107-T135 HydrophobicContact CG2-CG2 4.38Å; T107-T135 PolarHBondContact OG1-OG1 2.74Å; T107-T135 VanDerWaalsContact OG1-OG1 3.1Å; T132-T135 WeakPolarHBondContact O-CB 3.31Å; T132-T135 PolarHBondContact O-N 3.45Å; T135-C141 WeakPolarHBondContact O-CA 3.34Å; T135-C141 WeakPolarHBondContact O-CB 3.18Å; T135-G142 PolarHBondContact O-N 3.27Å; T135-G142 VanDerWaalsContact O-N 3.09Å; T135-M152 HydrophobicContact CG2-SD 4.05Å; T135-N155 HydrophobicContact CG2-CB 4.17Å; T135-L156 HydrophobicContact CG2-CD2 4.12Å; T135-I160 HydrophobicContact CG2-CD1 3.78Å
136L98.9Very high98Very high0 Ų023.4 Ų23.40%012%0.115CC..EExtended strand (participates in β ladder)trans-116.3132.7179174.966.7000109.3T132 G140 L156 I160 V169 C171 L215 N222 L225T132-L136 WeakPolarHBondContact CB-O 3.42Å; T132-L136 HydrophobicContact CG2-CB 4.03Å; T132-L136 HydrophobicContact CG2-CD2 4.39Å; T132-L136 PolarHBondContact OG1-O 2.95Å; L136-G140 WeakPolarHBondContact CD1-O 3.46Å; L136-L156 HydrophobicContact CB-CD2 3.92Å; L136-L156 HydrophobicContact CD1-CD2 4.08Å; L136-I160 HydrophobicContact CB-CD1 4.04Å; L136-I160 HydrophobicContact CD2-CG2 3.95Å; L136-V169 HydrophobicContact CD2-CG1 3.91Å; L136-V169 HydrophobicContact CD2-CG2 4.27Å; L136-V169 HydrophobicContact CG-CG1 4.29Å; L136-C171 WeakPolarHBondContact O-CB 3.38Å; L136-L215 HydrophobicContact CD2-CD2 4.03Å; L136-N222 WeakPolarHBondContact CD1-ND2 3.06Å; L136-L225 HydrophobicContact CD1-CD1 4.09Å
137F98.8Very high98.5Very high14 Ų1420.4 Ų20.46%0.06110%0.104CC..EExtended strand (participates in β ladder)trans-116.6162.9169.3-61.1-61.2000110.1D134 G139 G140 C141 C171 H173 N179 N222D134-F137 HydrophobicContact CB-CE1 4.47Å; D134-F137 HydrophobicContact CB-CZ 3.92Å; F137-G139 PolarHBondContact O-N 2.78Å; F137-G140 PolarHBondContact N-O 3.47Å; F137-G140 PolarHBondContact O-N 3.37Å; F137-C141 VanDerWaalsContact CD2-C 3.46Å; F137-C141 WeakPolarHBondContact CD2-O 2.99Å; F137-C171 HydrophobicContact CD1-CB 3.73Å; F137-H173 HydrophobicContact CE1-CB 4.16Å; F137-H173 AromaticContact CE1-CD2 3.86Å; F137-N179 WeakPolarHBondContact CB-ND2 3.39Å; F137-N222 PolarHBondContact O-ND2 3.47Å
138I98.8Very high98.7Very high0 Ų022.1 Ų22.10%011%0.112CC..THydrogen-bonded Turntrans-60.4115169.9-55.3-178.1000109.5G140 T176 N179 M196 T210 V211 E218 Y221I138-G140 PolarHBondContact O-N 2.84Å; I138-T176 HydrophobicContact CB-CG2 4.06Å; I138-T176 WeakPolarHBondContact CB-OG1 3.44Å; I138-T176 HydrophobicContact CG2-CG2 3.59Å; I138-N179 VanDerWaalsContact O-CB 3.31Å; I138-N179 WeakPolarHBondContact O-CB 3.43Å; I138-N179 PolarHBondContact O-ND2 3.26Å; I138-M196 HydrophobicContact CG2-CE 3.7Å; I138-T210 WeakPolarHBondContact CD1-O 3.24Å; I138-V211 HydrophobicContact CD1-CB 4.36Å; I138-V211 HydrophobicContact CD1-CG1 3.73Å; I138-V211 HydrophobicContact CG1-CG1 4.43Å; I138-E218 VanDerWaalsContact CA-OE1 3.29Å; I138-E218 WeakPolarHBondContact CA-OE1 3.46Å; I138-Y221 HydrophobicContact CG2-CE2 4.09Å
139G98.6Very high98.7Very high0 Ų021.6 Ų21.60%011%0.109CC..THydrogen-bonded Turntrans68.711.6-177.900000115.2F137 N179 E218 N222F137-G139 PolarHBondContact O-N 2.78Å; G139-N179 WeakPolarHBondContact O-CB 3.42Å; G139-E218 PolarHBondContact N-OE2 2.69Å; G139-N222 VanDerWaalsContact C-CG 3.47Å
140G98.6Very high98.7Very high0 Ų026 Ų260%013%0.129CC..EExtended strand (participates in β ladder)trans-152.4-172.2-176.500000114.5L136 F137 I138 N222L136-G140 WeakPolarHBondContact CD1-O 3.46Å; F137-G140 PolarHBondContact N-O 3.47Å; F137-G140 PolarHBondContact O-N 3.37Å; I138-G140 PolarHBondContact O-N 2.84Å; G140-N222 PolarHBondContact N-ND2 2.9Å; G140-N222 PolarHBondContact O-ND2 3.5Å
141C98.8Very high98.7Very high3 Ų329 Ų292%0.0214%0.144CC..EExtended strand (participates in β ladder)trans-145.4169.6170.6730000110.8T135 F137 M152 L156 F224 R249T135-C141 WeakPolarHBondContact O-CA 3.34Å; T135-C141 WeakPolarHBondContact O-CB 3.18Å; F137-C141 VanDerWaalsContact CD2-C 3.46Å; F137-C141 WeakPolarHBondContact CD2-O 2.99Å; C141-M152 HydrophobicContact CB-CE 4.38Å; C141-M152 HydrophobicContact CB-SD 4.23Å; C141-L156 HydrophobicContact CB-CD1 3.97Å; C141-F224 HydrophobicContact CB-CB 4.32Å; C141-F224 HydrophobicContact CB-CD2 4.18Å; C141-F224 HydrophobicContact CB-CG 4.12Å; C141-F224 WeakPolarHBondContact SG-CD1 3.24Å; C141-F224 VanDerWaalsContact SG-CE1 3.59Å; C141-F224 VanDerWaalsContact SG-CG 3.53Å; C141-R249 PolarHBondContact O-NH1 3.4Å; C141-R249 PolarHBondContact SG-NH1 3.09Å
142G98.4Very high98.7Very high0 Ų029 Ų290%014%0.143CC..  trans-57.1155.7173.300000114.5D134 T135 F144 R249D134-G142 WeakPolarHBondContact O-CA 3.44Å; D134-G142 PolarHBondContact O-N 2.67Å; D134-G142 VanDerWaalsContact O-N 3.16Å; T135-G142 PolarHBondContact O-N 3.27Å; T135-G142 VanDerWaalsContact O-N 3.09Å; G142-F144 WeakPolarHBondContact O-CD1 3.33Å; G142-F144 WeakPolarHBondContact O-CE1 3.44Å; G142-R249 WeakPolarHBondContact O-CD 3.2Å; G142-R249 PolarHBondContact O-NH1 3.06Å
143R98.6Very high98.7Very high142 Ų14230.8 Ų30.854%0.53615%0.152SC..  trans-71.3144.4161.4-69.9-177.9-68.7170.6-0.6109.4H110 L145 D253H110-R143 VanDerWaalsContact CA-O 3.26Å; H110-R143 WeakPolarHBondContact CA-O 3.33Å; H110-R143 PolarHBondContact ND1-O 3.24Å; R143-L145 VanDerWaalsContact C-N 3.34Å; R143-L145 HydrophobicContact CB-CD2 3.88Å; R143-L145 HydrophobicContact CB-CG 4.17Å; R143-L145 PolarHBondContact O-N 2.75Å; R143-D253 WeakPolarHBondContact CG-OD1 3.5Å
144F98.5Very high98.7Very high39 Ų3935.5 Ų35.517%0.17117%0.173CC..  trans-87.472.7-177.6-49.2-13.5000109.4C109 G142 A149 M152 M245 R249C109-F144 WeakPolarHBondContact SG-CD1 3.28Å; C109-F144 WeakPolarHBondContact SG-CG 3.44Å; G142-F144 WeakPolarHBondContact O-CD1 3.33Å; G142-F144 WeakPolarHBondContact O-CE1 3.44Å; F144-A149 HydrophobicContact CD2-CB 4.47Å; F144-A149 HydrophobicContact CE2-CB 3.94Å; F144-M152 HydrophobicContact CD1-CB 4.12Å; F144-M152 HydrophobicContact CD1-CE 3.8Å; F144-M152 HydrophobicContact CD1-CG 4.35Å; F144-M152 HydrophobicContact CE1-CB 3.49Å; F144-M152 VanDerWaalsContact CE1-CB 3.49Å; F144-M152 HydrophobicContact CE1-CE 3.63Å; F144-M152 HydrophobicContact CE1-CG 3.46Å; F144-M152 VanDerWaalsContact CE1-CG 3.46Å; F144-M152 HydrophobicContact CE1-SD 4.37Å; F144-M152 HydrophobicContact CE2-CB 4.22Å; F144-M152 HydrophobicContact CZ-CB 3.54Å; F144-M152 HydrophobicContact CZ-CG 3.74Å; F144-M245 HydrophobicContact CE2-CG 4.15Å; F144-M245 HydrophobicContact CZ-CG 3.93Å; F144-M245 HydrophobicContact CZ-SD 3.8Å; F144-R249 HydrophobicContact CD1-CG 3.98Å; F144-R249 HydrophobicContact CD2-CB 4.34Å; F144-R249 HydrophobicContact CD2-CG 3.82Å; F144-R249 HydrophobicContact CE1-CB 4.29Å; F144-R249 VanDerWaalsContact CE1-CD 3.42Å; F144-R249 HydrophobicContact CE1-CG 3.69Å; F144-R249 HydrophobicContact CE2-CB 3.65Å; F144-R249 HydrophobicContact CE2-CG 3.57Å; F144-R249 HydrophobicContact CG-CG 4.01Å; F144-R249 HydrophobicContact CZ-CB 3.62Å; F144-R249 HydrophobicContact CZ-CG 3.49Å; F144-R249 VanDerWaalsContact CZ-CG 3.49Å
145L98.5Very high98.7Very high87 Ų8735 Ų3546%0.45517%0.17SC..SBendtrans-75.3-37.2-173.1-53.3176.9000111.8H110 R143H110-L145 VanDerWaalsContact O-CB 3.28Å; H110-L145 WeakPolarHBondContact O-CB 3.4Å; H110-L145 PolarHBondContact O-N 2.88Å; R143-L145 VanDerWaalsContact C-N 3.34Å; R143-L145 HydrophobicContact CB-CD2 3.88Å; R143-L145 HydrophobicContact CB-CG 4.17Å; R143-L145 PolarHBondContact O-N 2.75Å
146E98.7Very high98.7Very high64 Ų6435 Ų3530%0.29917%0.17SC..SBendtrans-123.721.9-178.7-55.4-174.5171.200112.9Y55 R81 C109 H110 S112Y55-E146 WeakPolarHBondContact CE1-OE1 3.41Å; Y55-E146 PolarHBondContact OH-OE1 2.88Å; R81-E146 IonicContact CZ-OE1 3.26Å; R81-E146 IonicContact CZ-OE2 3.32Å; R81-E146 IonicContact NH1-OE1 2.81Å; R81-E146 PolarHBondContact NH1-OE1 3.4Å; R81-E146 IonicContact NH1-OE2 2.8Å; R81-E146 PolarHBondContact NH1-OE2 3.3Å; R81-E146 IonicContact NH2-OE1 2.76Å; R81-E146 IonicContact NH2-OE2 3.57Å; R81-E146 PolarHBondContact NH2-OE2 2.67Å; C109-E146 CarbonylContact O-C 3.6Å; C109-E146 PolarHBondContact O-N 3.49Å; H110-E146 PolarHBondContact O-N 2.99Å; S112-E146 WeakPolarHBondContact CB-OE2 3.39Å; S112-E146 PolarHBondContact N-OE2 3.07Å; S112-E146 PolarHBondContact OG-OE2 3.38Å
147G98.5Very high98.5Very high23 Ų2336.8 Ų36.824%0.23718%0.181CC..SBendtrans-154.1-166.8-172.900000114.9C109C109-G147 WeakPolarHBondContact O-CA 3.47Å; C109-G147 PolarHBondContact O-N 3.46Å
148T98.9Very high98.5Very high62 Ų6242.6 Ų42.638%0.3821%0.206SC..  trans-125.8163.6-166.260.30000112.2C109 E150 Q151 M152C109-T148 PolarHBondContact SG-O 3.21Å; T148-E150 VanDerWaalsContact C-N 3.25Å; T148-E150 WeakPolarHBondContact CB-OE2 3.36Å; T148-E150 PolarHBondContact O-N 2.85Å; T148-Q151 PolarHBondContact O-N 3.44Å; T148-Q151 WeakPolarHBondContact OG1-CB 3.33Å; T148-Q151 WeakPolarHBondContact OG1-CG 3.35Å; T148-Q151 PolarHBondContact OG1-N 3.39Å; T148-Q151 PolarHBondContact OG1-OE1 3.24Å; T148-M152 PolarHBondContact O-N 3.46Å
149A98.8Very high98.5Very high4 Ų443.5 Ų43.53%0.03321%0.212CC..Hα-helixtrans-64.3-34.4174.500000111.6F144 Q151 M152 H153 V242 M245 R246F144-A149 HydrophobicContact CD2-CB 4.47Å; F144-A149 HydrophobicContact CE2-CB 3.94Å; A149-Q151 VanDerWaalsContact C-N 3.35Å; A149-M152 PolarHBondContact O-N 3.15Å; A149-H153 WeakPolarHBondContact O-CB 3.4Å; A149-H153 PolarHBondContact O-N 3.4Å; A149-V242 HydrophobicContact CB-CG1 4.04Å; A149-M245 HydrophobicContact CB-CB 4.4Å; A149-M245 HydrophobicContact CB-CG 4.03Å; A149-R246 HydrophobicContact CB-CB 3.72Å; A149-R246 HydrophobicContact CB-CG 4.31Å
150E98.8Very high98.4Very high91 Ų9143.6 Ų43.643%0.42521%0.212SC..Hα-helixtrans-57.3-48.7173.7-70.273.3-175.700110.9T148 H154 V242 R246T148-E150 VanDerWaalsContact C-N 3.25Å; T148-E150 WeakPolarHBondContact CB-OE2 3.36Å; T148-E150 PolarHBondContact O-N 2.85Å; E150-H154 WeakPolarHBondContact O-CB 3.46Å; E150-H154 PolarHBondContact O-N 2.97Å; E150-V242 HydrophobicContact CB-CG1 4.41Å; E150-V242 VanDerWaalsContact CD-CG1 3.4Å; E150-V242 HydrophobicContact CG-CG1 3.68Å; E150-V242 HydrophobicContact CG-CG2 4.47Å; E150-V242 WeakPolarHBondContact OE1-CG1 3.26Å; E150-R246 VanDerWaalsContact CD-NH2 3.29Å; E150-R246 IonicContact OE1-CZ 3.21Å; E150-R246 IonicContact OE1-NH2 3.75Å; E150-R246 PolarHBondContact OE1-NH2 3.4Å; E150-R246 IonicContact OE2-NH2 2.8Å; E150-R246 PolarHBondContact OE2-NH2 3.24Å
151Q98.9Very high98.3Very high65 Ų6544.9 Ų44.930%0.30422%0.223SC..Hα-helixtrans-63.6-51177.3-81.4168.4-45.900111.9P108 C109 T148 A149 H153 H154 N155P108-Q151 WeakPolarHBondContact O-CB 3.48Å; C109-Q151 HydrophobicContact CB-CB 4.13Å; T148-Q151 PolarHBondContact O-N 3.44Å; T148-Q151 WeakPolarHBondContact OG1-CB 3.33Å; T148-Q151 WeakPolarHBondContact OG1-CG 3.35Å; T148-Q151 PolarHBondContact OG1-N 3.39Å; T148-Q151 PolarHBondContact OG1-OE1 3.24Å; A149-Q151 VanDerWaalsContact C-N 3.35Å; Q151-H153 VanDerWaalsContact C-N 3.31Å; Q151-H153 PolarHBondContact O-N 2.92Å; Q151-H154 PolarHBondContact O-N 3.16Å; Q151-N155 WeakPolarHBondContact O-CB 2.91Å; Q151-N155 PolarHBondContact O-N 2.84Å; Q151-N155 PolarHBondContact O-ND2 3.43Å; Q151-N155 PolarHBondContact O-OD1 3.04Å
152M98.9Very high98.2Very high0 Ų049 Ų490%025%0.252CS..Hα-helixtrans-61.5-42.5178.4-171.560.476.700111.5C109 T135 C141 F144 T148 A149 H154 N155 L156 M245C109-M152 HydrophobicContact CB-CB 4.29Å; C109-M152 HydrophobicContact CB-CE 3.87Å; T135-M152 HydrophobicContact CG2-SD 4.05Å; C141-M152 HydrophobicContact CB-CE 4.38Å; C141-M152 HydrophobicContact CB-SD 4.23Å; F144-M152 HydrophobicContact CD1-CB 4.12Å; F144-M152 HydrophobicContact CD1-CE 3.8Å; F144-M152 HydrophobicContact CD1-CG 4.35Å; F144-M152 HydrophobicContact CE1-CB 3.49Å; F144-M152 VanDerWaalsContact CE1-CB 3.49Å; F144-M152 HydrophobicContact CE1-CE 3.63Å; F144-M152 HydrophobicContact CE1-CG 3.46Å; F144-M152 VanDerWaalsContact CE1-CG 3.46Å; F144-M152 HydrophobicContact CE1-SD 4.37Å; F144-M152 HydrophobicContact CE2-CB 4.22Å; F144-M152 HydrophobicContact CZ-CB 3.54Å; F144-M152 HydrophobicContact CZ-CG 3.74Å; T148-M152 PolarHBondContact O-N 3.46Å; A149-M152 PolarHBondContact O-N 3.15Å; M152-H154 VanDerWaalsContact C-N 3.32Å; M152-H154 PolarHBondContact O-N 2.91Å; M152-N155 PolarHBondContact O-N 2.63Å; M152-L156 HydrophobicContact CG-CD1 3.92Å; M152-L156 HydrophobicContact CG-CG 4.05Å; M152-L156 WeakPolarHBondContact O-CB 3.4Å; M152-L156 WeakPolarHBondContact O-CG 3.46Å; M152-L156 PolarHBondContact O-N 3.35Å; M152-L156 HydrophobicContact SD-CD1 4.05Å; M152-L156 HydrophobicContact SD-CD2 4.04Å; M152-L156 HydrophobicContact SD-CG 3.79Å; M152-M245 HydrophobicContact CB-CE 4.44Å; M152-M245 HydrophobicContact CB-SD 4.29Å; M152-M245 HydrophobicContact CG-CE 4.03Å; M152-M245 HydrophobicContact CG-SD 3.98Å
153H98.8Very high98.2Very high38 Ų3850 Ų5018%0.17626%0.257CS..Hα-helixtrans-57.9-45.6176.2174.1-125.3000111.3A149 Q151 T157 L227 V242 M245A149-H153 WeakPolarHBondContact O-CB 3.4Å; A149-H153 PolarHBondContact O-N 3.4Å; Q151-H153 VanDerWaalsContact C-N 3.31Å; Q151-H153 PolarHBondContact O-N 2.92Å; H153-T157 WeakPolarHBondContact O-CB 3.4Å; H153-T157 WeakPolarHBondContact O-CG2 3.37Å; H153-T157 PolarHBondContact O-N 3.31Å; H153-T157 PolarHBondContact O-OG1 3.32Å; H153-L227 WeakPolarHBondContact CD2-CD1 3.5Å; H153-V242 HydrophobicContact CB-CG2 4.22Å; H153-V242 WeakPolarHBondContact ND1-CG2 3.43Å; H153-M245 HydrophobicContact CB-CE 4.19Å; H153-M245 HydrophobicContact CB-CG 4.42Å
154H98.8Very high98.1Very high100 Ų10045.5 Ų45.546%0.46325%0.247SC..Hα-helixtrans-61.9-50.2175.1-178.481.6000112E150 Q151 M152 L156 T157 K158 V159E150-H154 WeakPolarHBondContact O-CB 3.46Å; E150-H154 PolarHBondContact O-N 2.97Å; Q151-H154 PolarHBondContact O-N 3.16Å; M152-H154 VanDerWaalsContact C-N 3.32Å; M152-H154 PolarHBondContact O-N 2.91Å; H154-L156 PolarHBondContact O-N 2.91Å; H154-T157 PolarHBondContact O-N 3.09Å; H154-K158 WeakPolarHBondContact O-CA 3.46Å; H154-K158 VanDerWaalsContact O-CB 3.32Å; H154-K158 WeakPolarHBondContact O-CB 3.5Å; H154-K158 PolarHBondContact O-N 2.83Å; H154-V159 PolarHBondContact O-N 3.25Å
155N98.8Very high98.1Very high3 Ų348.8 Ų48.82%0.01626%0.263CS..Iπ-helixtrans-57.7-47.8-178.3-62.3-14.6000111.2T107 P108 T135 Q151 M152 V159 I160T107-N155 WeakPolarHBondContact CA-ND2 3.43Å; T107-N155 HydrophobicContact CG2-CB 4.02Å; T107-N155 PolarHBondContact O-ND2 3.24Å; T107-N155 VanDerWaalsContact O-ND2 3.09Å; P108-N155 PolarHBondContact O-ND2 3.14Å; T135-N155 HydrophobicContact CG2-CB 4.17Å; Q151-N155 WeakPolarHBondContact O-CB 2.91Å; Q151-N155 PolarHBondContact O-N 2.84Å; Q151-N155 PolarHBondContact O-ND2 3.43Å; Q151-N155 PolarHBondContact O-OD1 3.04Å; M152-N155 PolarHBondContact O-N 2.63Å; N155-V159 WeakPolarHBondContact O-CB 3.35Å; N155-V159 PolarHBondContact O-N 2.94Å; N155-I160 WeakPolarHBondContact O-CG1 3.26Å; N155-I160 PolarHBondContact O-N 3.16Å
156L98.5Very high98Very high0 Ų049.5 Ų49.50%026%0.264CS..Iπ-helixtrans-71.9-45.8-178.3-63.1-171.9000112.2T135 L136 C141 M152 H154 I160 A161 F224 L225 M245T135-L156 HydrophobicContact CG2-CD2 4.12Å; L136-L156 HydrophobicContact CB-CD2 3.92Å; L136-L156 HydrophobicContact CD1-CD2 4.08Å; C141-L156 HydrophobicContact CB-CD1 3.97Å; M152-L156 HydrophobicContact CG-CD1 3.92Å; M152-L156 HydrophobicContact CG-CG 4.05Å; M152-L156 WeakPolarHBondContact O-CB 3.4Å; M152-L156 WeakPolarHBondContact O-CG 3.46Å; M152-L156 PolarHBondContact O-N 3.35Å; M152-L156 HydrophobicContact SD-CD1 4.05Å; M152-L156 HydrophobicContact SD-CD2 4.04Å; M152-L156 HydrophobicContact SD-CG 3.79Å; H154-L156 PolarHBondContact O-N 2.91Å; L156-I160 HydrophobicContact CD2-CD1 4.04Å; L156-A161 WeakPolarHBondContact O-CB 3.33Å; L156-A161 PolarHBondContact O-N 3.12Å; L156-F224 HydrophobicContact CD1-CB 3.79Å; L156-L225 HydrophobicContact CB-CD2 3.84Å; L156-M245 HydrophobicContact CD1-CE 3.92Å
157T95.9Very high98Very high37 Ų3746.5 Ų46.523%0.22725%0.249CC..Iπ-helixtrans-95.2-15.5-168.268.80000115.3H153 H154H153-T157 WeakPolarHBondContact O-CB 3.4Å; H153-T157 WeakPolarHBondContact O-CG2 3.37Å; H153-T157 PolarHBondContact O-N 3.31Å; H153-T157 PolarHBondContact O-OG1 3.32Å; H154-T157 PolarHBondContact O-N 3.09Å
158K97.3Very high98Very high136 Ų13648.8 Ų48.859%0.59125%0.253SS*.Iπ-helixtrans-119.7-35.4-178.6-57.5-60.9175.3-169.40113.1H154 S162H154-K158 WeakPolarHBondContact O-CA 3.46Å; H154-K158 VanDerWaalsContact O-CB 3.32Å; H154-K158 WeakPolarHBondContact O-CB 3.5Å; H154-K158 PolarHBondContact O-N 2.83Å; K158-S162 WeakPolarHBondContact O-CB 3.37Å; K158-S162 PolarHBondContact O-OG 2.7Å
159V98.4Very high98Very high20 Ų2045.8 Ų45.812%0.12124%0.235CC..Iπ-helixtrans-88.8-67.6179.3-175.20000109.7L105 T107 H154 N155 S162L105-V159 HydrophobicContact CB-CG1 3.88Å; L105-V159 HydrophobicContact CD1-CG1 4.4Å; L105-V159 HydrophobicContact CD2-CG1 4.37Å; L105-V159 HydrophobicContact CG-CG1 4.45Å; T107-V159 HydrophobicContact CG2-CB 4.49Å; T107-V159 HydrophobicContact CG2-CG1 4.09Å; H154-V159 PolarHBondContact O-N 3.25Å; N155-V159 WeakPolarHBondContact O-CB 3.35Å; N155-V159 PolarHBondContact O-N 2.94Å; V159-S162 WeakPolarHBondContact O-CB 3.06Å; V159-S162 PolarHBondContact O-N 2.54Å; V159-S162 PolarHBondContact O-OG 2.84Å
160I97.8Very high98Very high1 Ų146 Ų461%0.00524%0.235CC..G310 helixtrans-68.4-45.9-174.8-62.6176.3000111.4T132 T135 L136 N155 L156 S162 L163 L215T132-I160 HydrophobicContact CG2-CD1 4.34Å; T135-I160 HydrophobicContact CG2-CD1 3.78Å; L136-I160 HydrophobicContact CB-CD1 4.04Å; L136-I160 HydrophobicContact CD2-CG2 3.95Å; N155-I160 WeakPolarHBondContact O-CG1 3.26Å; N155-I160 PolarHBondContact O-N 3.16Å; L156-I160 HydrophobicContact CD2-CD1 4.04Å; I160-S162 PolarHBondContact O-N 3.01Å; I160-L163 WeakPolarHBondContact O-CB 3.41Å; I160-L163 VanDerWaalsContact O-CG 3.31Å; I160-L163 WeakPolarHBondContact O-CG 3.39Å; I160-L163 PolarHBondContact O-N 2.76Å; I160-L163 VanDerWaalsContact O-N 3.09Å; I160-L215 HydrophobicContact CG2-CD1 4.37Å; I160-L215 HydrophobicContact CG2-CD2 3.55Å; I160-L215 WeakPolarHBondContact O-CD1 3.47Å
161A95.2Very high98Very high27 Ų2741.7 Ų41.722%0.22321%0.214CC..G310 helixtrans-63.4-11.1177.300000114.9L156 L163 F219L156-A161 WeakPolarHBondContact O-CB 3.33Å; L156-A161 PolarHBondContact O-N 3.12Å; A161-L163 VanDerWaalsContact C-N 3.31Å; A161-F219 HydrophobicContact CB-CE1 4.1Å; A161-F219 HydrophobicContact CB-CZ 3.59Å
162S96.8Very high98Very high90 Ų9038.6 Ų38.663%0.62920%0.2SC*.G310 helixtrans-81.1-12.4175.274.80000113.5K158 V159 I160K158-S162 WeakPolarHBondContact O-CB 3.37Å; K158-S162 PolarHBondContact O-OG 2.7Å; V159-S162 WeakPolarHBondContact O-CB 3.06Å; V159-S162 PolarHBondContact O-N 2.54Å; V159-S162 PolarHBondContact O-OG 2.84Å; I160-S162 PolarHBondContact O-N 3.01Å
163L98.4Very high98Very high20 Ų2039.4 Ų39.411%0.10520%0.204CC..SBendtrans-72.7160.7177-58.7176.3000111L105 Y118 V130 I160 A161 T167 L215L105-L163 HydrophobicContact CD1-CD1 3.96Å; L105-L163 HydrophobicContact CD1-CD2 4.16Å; L105-L163 HydrophobicContact CD1-CG 4.43Å; Y118-L163 HydrophobicContact CD1-CD2 4.03Å; Y118-L163 HydrophobicContact CD2-CD1 3.76Å; Y118-L163 HydrophobicContact CD2-CD2 3.82Å; Y118-L163 HydrophobicContact CD2-CG 4.29Å; Y118-L163 HydrophobicContact CE1-CD2 4.32Å; Y118-L163 HydrophobicContact CE2-CB 4.48Å; Y118-L163 HydrophobicContact CE2-CD1 4.36Å; Y118-L163 HydrophobicContact CE2-CD2 4.09Å; Y118-L163 HydrophobicContact CG-CD1 4.23Å; Y118-L163 HydrophobicContact CG-CD2 3.76Å; V130-L163 HydrophobicContact CB-CD1 4.01Å; V130-L163 HydrophobicContact CG1-CD1 4.35Å; V130-L163 HydrophobicContact CG2-CD1 3.93Å; I160-L163 WeakPolarHBondContact O-CB 3.41Å; I160-L163 VanDerWaalsContact O-CG 3.31Å; I160-L163 WeakPolarHBondContact O-CG 3.39Å; I160-L163 PolarHBondContact O-N 2.76Å; I160-L163 VanDerWaalsContact O-N 3.09Å; A161-L163 VanDerWaalsContact C-N 3.31Å; L163-T167 HydrophobicContact CD1-CG2 4.47Å; L163-L215 HydrophobicContact CB-CD1 3.61Å; L163-L215 HydrophobicContact CD1-CD1 4.27Å; L163-L215 HydrophobicContact CG-CD1 4.47Å
164P97.9Very high98Very high49 Ų4939.7 Ų39.732%0.31821%0.206SC..  trans-55.5142.2175.2-24.934.8000112.2Y118 E166 T167Y118-P164 WeakPolarHBondContact OH-CD 3.37Å; P164-E166 VanDerWaalsContact C-N 3.25Å; P164-E166 VanDerWaalsContact CB-CD 3.45Å; P164-E166 HydrophobicContact CB-CG 4.43Å; P164-E166 WeakPolarHBondContact CB-OE1 3.5Å; P164-E166 WeakPolarHBondContact CB-OE2 3.36Å; P164-E166 PolarHBondContact O-N 2.93Å; P164-T167 WeakPolarHBondContact O-CB 3.34Å; P164-T167 PolarHBondContact O-N 3.15Å; P164-T167 PolarHBondContact O-OG1 3.28Å
165Q97.4Very high97.9Very high108 Ų10836.8 Ų36.851%0.50519%0.193SC..THydrogen-bonded Turntrans-64.3-31.2-172.8-67.5-168.84.700112.8T167 L215 Q216Q165-T167 PolarHBondContact O-N 3.4Å; Q165-L215 PolarHBondContact O-N 2.72Å; Q165-Q216 HydrophobicContact CB-CB 4.08Å; Q165-Q216 WeakPolarHBondContact O-CB 3.27Å; Q165-Q216 PolarHBondContact O-N 2.82Å
166E97.4Very high97.9Very high102 Ų10236.6 Ų36.648%0.47719%0.193SC..THydrogen-bonded Turntrans-71.9-7.3176.869.4-84.9-160.700113.7A127 P164 K168A127-E166 HydrophobicContact CB-CB 4.13Å; A127-E166 HydrophobicContact CB-CG 3.89Å; A127-E166 WeakPolarHBondContact CB-O 3.46Å; P164-E166 VanDerWaalsContact C-N 3.25Å; P164-E166 VanDerWaalsContact CB-CD 3.45Å; P164-E166 HydrophobicContact CB-CG 4.43Å; P164-E166 WeakPolarHBondContact CB-OE1 3.5Å; P164-E166 WeakPolarHBondContact CB-OE2 3.36Å; P164-E166 PolarHBondContact O-N 2.93Å; E166-K168 PolarHBondContact O-N 2.85Å
167T98.6Very high97.9Very high0 Ų037 Ų370%020%0.195CC..PPolyproline II helixtrans-57.5124-179-57.10000110.4Y118 P128 V130 L163 P164 Q165 T214 L215Y118-T167 HydrophobicContact CD2-CG2 3.94Å; Y118-T167 HydrophobicContact CE2-CG2 3.72Å; P128-T167 HydrophobicContact CG-CG2 4.48Å; P128-T167 WeakPolarHBondContact O-CA 3.1Å; V130-T167 HydrophobicContact CB-CG2 3.9Å; V130-T167 HydrophobicContact CG1-CG2 3.77Å; L163-T167 HydrophobicContact CD1-CG2 4.47Å; P164-T167 WeakPolarHBondContact O-CB 3.34Å; P164-T167 PolarHBondContact O-N 3.15Å; P164-T167 PolarHBondContact O-OG1 3.28Å; Q165-T167 PolarHBondContact O-N 3.4Å; T167-T214 CarbonylContact O-C 3.42Å; T167-T214 VanDerWaalsContact O-CA 3.29Å; T167-T214 WeakPolarHBondContact O-CA 3.42Å; T167-L215 HydrophobicContact CG2-CD1 4.4Å; T167-L215 PolarHBondContact O-N 3.27Å
168K98.8Very high97.9Very high71 Ų7138.9 Ų38.931%0.30920%0.199SC..EExtended strand (participates in β ladder)trans-72.8130.7176.6-66.6170.5-178.2161.40110.5P128 A129 V130 E166 F170 P212 S213P128-K168 PolarHBondContact O-N 3.04Å; A129-K168 CarbonylContact C-O 3.46Å; A129-K168 WeakPolarHBondContact CA-O 3.46Å; V130-K168 PolarHBondContact N-O 3.35Å; E166-K168 PolarHBondContact O-N 2.85Å; K168-F170 HydrophobicContact CB-CD2 4.32Å; K168-F170 HydrophobicContact CB-CE2 3.71Å; K168-F170 HydrophobicContact CB-CZ 4.45Å; K168-F170 HydrophobicContact CD-CE2 4.49Å; K168-P212 HydrophobicContact CB-CB 4.04Å; K168-P212 HydrophobicContact CB-CG 4.39Å; K168-P212 HydrophobicContact CD-CG 4.49Å; K168-S213 CarbonylContact C-O 3.59Å; K168-S213 VanDerWaalsContact CA-O 3.25Å; K168-S213 WeakPolarHBondContact CA-O 3.31Å
169V98.8Very high98Very high0 Ų032.7 Ų32.70%017%0.173CC..EExtended strand (participates in β ladder)trans-99.4123.2-179.5-178.90000110.2V130 T132 L136 P212 S213 L215 E218V130-V169 HydrophobicContact CG1-CB 4.47Å; V130-V169 HydrophobicContact CG1-CG2 4.05Å; T132-V169 HydrophobicContact CG2-CG1 4.05Å; L136-V169 HydrophobicContact CD2-CG1 3.91Å; L136-V169 HydrophobicContact CD2-CG2 4.27Å; L136-V169 HydrophobicContact CG-CG1 4.29Å; V169-P212 WeakPolarHBondContact O-CA 3.46Å; V169-P212 VanDerWaalsContact O-CB 3.27Å; V169-P212 WeakPolarHBondContact O-CB 3.17Å; V169-S213 PolarHBondContact N-O 3.34Å; V169-S213 PolarHBondContact O-N 2.91Å; V169-L215 HydrophobicContact CG2-CD2 3.57Å; V169-L215 HydrophobicContact CG2-CG 3.92Å; V169-E218 HydrophobicContact CG2-CG 4.45Å
170F98.9Very high98Very high8 Ų831.7 Ų31.74%0.03517%0.167CC..EExtended strand (participates in β ladder)trans-119.9102.7176.7-69.3-85.2000109.7V3 V5 Y15 A129 V130 F131 T132 K168 V211 P212V3-F170 HydrophobicContact CB-CE1 4.12Å; V3-F170 HydrophobicContact CB-CE2 4.19Å; V3-F170 HydrophobicContact CB-CZ 3.69Å; V3-F170 HydrophobicContact CG1-CD1 4.04Å; V3-F170 HydrophobicContact CG1-CD2 4.47Å; V3-F170 HydrophobicContact CG1-CE1 3.6Å; V3-F170 HydrophobicContact CG1-CE2 4.09Å; V3-F170 HydrophobicContact CG1-CG 4.44Å; V3-F170 HydrophobicContact CG1-CZ 3.63Å; V3-F170 HydrophobicContact CG2-CE2 4.09Å; V3-F170 HydrophobicContact CG2-CZ 4.09Å; V5-F170 HydrophobicContact CG2-CD1 4.34Å; V5-F170 HydrophobicContact CG2-CE1 4.01Å; Y15-F170 HydrophobicContact CD1-CB 4.46Å; Y15-F170 AromaticContact CD1-CD1 3.9Å; Y15-F170 HydrophobicContact CD1-CD1 3.9Å; Y15-F170 HydrophobicContact CD1-CG 4.49Å; Y15-F170 HydrophobicContact CD2-CB 4.45Å; Y15-F170 HydrophobicContact CE1-CB 3.99Å; Y15-F170 AromaticContact CE1-CD1 3.52Å; Y15-F170 HydrophobicContact CE1-CD1 3.52Å; Y15-F170 HydrophobicContact CE1-CE1 4.43Å; Y15-F170 HydrophobicContact CE1-CG 4.18Å; Y15-F170 HydrophobicContact CE2-CB 3.94Å; A129-F170 HydrophobicContact CB-CD2 3.94Å; A129-F170 HydrophobicContact CB-CE2 3.79Å; V130-F170 PolarHBondContact O-N 3.29Å; F131-F170 VanDerWaalsContact CA-O 3.31Å; F131-F170 WeakPolarHBondContact CA-O 3.49Å; F131-F170 HydrophobicContact CD1-CB 3.56Å; F131-F170 HydrophobicContact CD1-CG 4.25Å; F131-F170 HydrophobicContact CE1-CB 3.72Å; F131-F170 HydrophobicContact CE1-CD2 4.07Å; F131-F170 AromaticContact CE1-CG 3.89Å; F131-F170 HydrophobicContact CE1-CG 3.89Å; F131-F170 HydrophobicContact CG-CB 4.44Å; F131-F170 HydrophobicContact CZ-CD2 4.32Å; T132-F170 PolarHBondContact N-O 2.86Å; T132-F170 PolarHBondContact OG1-O 3.38Å; K168-F170 HydrophobicContact CB-CD2 4.32Å; K168-F170 HydrophobicContact CB-CE2 3.71Å; K168-F170 HydrophobicContact CB-CZ 4.45Å; K168-F170 HydrophobicContact CD-CE2 4.49Å; F170-V211 HydrophobicContact CD1-CB 4.39Å; F170-P212 HydrophobicContact CD1-CB 3.93Å; F170-P212 HydrophobicContact CD2-CB 4.18Å; F170-P212 HydrophobicContact CE1-CB 3.59Å; F170-P212 HydrophobicContact CE1-CG 3.73Å; F170-P212 HydrophobicContact CE2-CB 3.85Å; F170-P212 HydrophobicContact CE2-CG 4.23Å; F170-P212 HydrophobicContact CG-CB 4.23Å; F170-P212 HydrophobicContact CZ-CB 3.55Å; F170-P212 HydrophobicContact CZ-CG 3.55Å
171C98.8Very high98Very high0 Ų032.6 Ų32.60%017%0.171CC..EExtended strand (participates in β ladder)trans-104.2160.6-172.765.50000114.1Y15 T132 L136 F137 H173Y15-C171 PolarHBondContact OH-N 3.15Å; Y15-C171 PolarHBondContact OH-O 3.42Å; T132-C171 WeakPolarHBondContact OG1-CA 3.43Å; T132-C171 WeakPolarHBondContact OG1-CB 3.32Å; L136-C171 WeakPolarHBondContact O-CB 3.38Å; F137-C171 HydrophobicContact CD1-CB 3.73Å; C171-H173 VanDerWaalsContact C-N 3.29Å; C171-H173 PolarHBondContact O-N 2.87Å; C171-H173 VanDerWaalsContact O-N 3.12Å
172G98.6Very high98.2Very high1 Ų131.4 Ų31.41%0.0116%0.161CC..SBendtrans-60.3-27-170.200000116.7N12 Y13 G133N12-G172 CarbonylContact C-O 3.59Å; N12-G172 WeakPolarHBondContact CA-O 3.42Å; Y13-G172 PolarHBondContact N-O 3.47Å; G133-G172 PolarHBondContact O-N 2.71Å
173H98.6Very high98.3Very high16 Ų1627.1 Ų27.17%0.07413%0.131CC..BIsolated β-bridgetrans-141.4152.8-169.7-64.2-101.1000114.9D11 N12 D58 H59 D134 F137 C171 N175D11-H173 CarbonylContact O-C 3.32Å; D11-H173 VanDerWaalsContact O-CA 3.23Å; D11-H173 WeakPolarHBondContact O-CA 3.27Å; D11-H173 IonicContact OD1-CE1 2.83Å; D11-H173 IonicContact OD1-CG 3.83Å; D11-H173 IonicContact OD1-ND1 3.47Å; D11-H173 PolarHBondContact OD1-ND1 2.8Å; D11-H173 IonicContact OD2-ND1 3.69Å; N12-H173 VanDerWaalsContact CG-CE1 3.48Å; N12-H173 PolarHBondContact ND2-CE1 3.01Å; N12-H173 PolarHBondContact ND2-NE2 2.77Å; D58-H173 IonicContact OD2-CE1 3.82Å; D58-H173 PolarHBondContact OD2-CE1 2.84Å; D58-H173 IonicContact OD2-NE2 2.89Å; D58-H173 PolarHBondContact OD2-NE2 3.09Å; H59-H173 AromaticContact NE2-NE2 3.44Å; H59-H173 PolarHBondContact NE2-NE2 2.87Å; D134-H173 IonicContact OD1-CD2 3.18Å; D134-H173 PolarHBondContact OD1-CD2 2.82Å; D134-H173 IonicContact OD1-NE2 3.65Å; D134-H173 PolarHBondContact OD1-NE2 2.65Å; D134-H173 IonicContact OD2-CD2 3.6Å; D134-H173 IonicContact OD2-NE2 3.97Å; D134-H173 PolarHBondContact OD2-NE2 3.02Å; F137-H173 HydrophobicContact CE1-CB 4.16Å; F137-H173 AromaticContact CE1-CD2 3.86Å; C171-H173 VanDerWaalsContact C-N 3.29Å; C171-H173 PolarHBondContact O-N 2.87Å; C171-H173 VanDerWaalsContact O-N 3.12Å; H173-N175 VanDerWaalsContact C-N 3.28Å; H173-N175 VanDerWaalsContact CB-ND2 3.27Å; H173-N175 WeakPolarHBondContact CB-ND2 3.38Å; H173-N175 PolarHBondContact O-N 2.85Å
174E98.2Very high98.3Very high45 Ų4528.7 Ų28.721%0.2114%0.139CC..  trans-80.168.6169-17343.2-83.600111.5D11 Y13 T176 T210D11-E174 HydrophobicContact CB-CB 4.38Å; D11-E174 PolarHBondContact O-N 3.28Å; Y13-E174 HydrophobicContact CE2-CB 3.92Å; Y13-E174 WeakPolarHBondContact OH-CB 3.23Å; Y13-E174 WeakPolarHBondContact OH-CG 3.49Å; Y13-E174 PolarHBondContact OH-OE2 3.26Å; E174-T176 WeakPolarHBondContact OE1-CB 3.38Å; E174-T176 PolarHBondContact OE1-N 2.84Å; E174-T176 PolarHBondContact OE1-OG1 3.13Å; E174-T210 PolarHBondContact OE1-OG1 2.64Å; E174-T210 WeakPolarHBondContact OE2-CB 3.4Å; E174-T210 WeakPolarHBondContact OE2-CG2 3.4Å; E174-T210 PolarHBondContact OE2-N 2.86Å; E174-T210 PolarHBondContact OE2-OG1 3.25Å
175N96.9Very high98.3Very high38 Ų3830.5 Ų30.520%0.20315%0.146CC..  trans-103.26.1178.2-85.8-59.8000113.5H173 I177 K178 N179H173-N175 VanDerWaalsContact C-N 3.28Å; H173-N175 VanDerWaalsContact CB-ND2 3.27Å; H173-N175 WeakPolarHBondContact CB-ND2 3.38Å; H173-N175 PolarHBondContact O-N 2.85Å; N175-I177 PolarHBondContact O-N 3.21Å; N175-K178 WeakPolarHBondContact O-CB 3.34Å; N175-K178 PolarHBondContact O-N 3.4Å; N175-K178 VanDerWaalsContact O-N 3.07Å; N175-N179 WeakPolarHBondContact O-CB 3.38Å; N175-N179 PolarHBondContact O-N 3.25Å; N175-N179 PolarHBondContact O-ND2 2.76Å; N175-N179 PolarHBondContact O-OD1 2.89Å
176T98.4Very high98.4Very high0 Ų025.6 Ų25.60%012%0.123CC..Hα-helixtrans-59-46.2-164.2-58.80000113.1I138 E174 K178 N179 L180 A200 T210I138-T176 HydrophobicContact CB-CG2 4.06Å; I138-T176 WeakPolarHBondContact CB-OG1 3.44Å; I138-T176 HydrophobicContact CG2-CG2 3.59Å; E174-T176 WeakPolarHBondContact OE1-CB 3.38Å; E174-T176 PolarHBondContact OE1-N 2.84Å; E174-T176 PolarHBondContact OE1-OG1 3.13Å; T176-K178 PolarHBondContact O-N 3.38Å; T176-N179 PolarHBondContact O-N 2.93Å; T176-L180 HydrophobicContact CG2-CD1 3.54Å; T176-L180 HydrophobicContact CG2-CG 4.28Å; T176-L180 WeakPolarHBondContact O-CB 3.45Å; T176-L180 VanDerWaalsContact O-CG 3.27Å; T176-L180 WeakPolarHBondContact O-CG 3.48Å; T176-L180 PolarHBondContact O-N 3.47Å; T176-A200 HydrophobicContact CG2-CB 3.88Å; T176-T210 VanDerWaalsContact CB-OG1 3.24Å; T176-T210 WeakPolarHBondContact CB-OG1 3.48Å; T176-T210 HydrophobicContact CG2-CG2 4.08Å; T176-T210 PolarHBondContact OG1-OG1 2.92Å
177I98.1Very high98.4Very high9 Ų921.1 Ų21.15%0.04610%0.102CC..Hα-helixtrans-63.5-40.8178.5-69.3176.8000111.7N175 K181 L197 A200 R201 D204N175-I177 PolarHBondContact O-N 3.21Å; I177-K181 HydrophobicContact CG2-CD 4.23Å; I177-K181 WeakPolarHBondContact O-CB 3.47Å; I177-K181 VanDerWaalsContact O-CG 3.26Å; I177-K181 WeakPolarHBondContact O-CG 3.43Å; I177-K181 PolarHBondContact O-N 2.84Å; I177-L197 HydrophobicContact CG2-CD1 4.25Å; I177-A200 HydrophobicContact CG1-CB 3.92Å; I177-R201 HydrophobicContact CD1-CG 4.18Å; I177-D204 HydrophobicContact CD1-CB 3.5Å; I177-D204 WeakPolarHBondContact CD1-OD2 3.49Å
178K97.5Very high98.4Very high75 Ų7524.3 Ų24.333%0.32612%0.123SC..Hα-helixtrans-65.8-45.1178.4179.2-172.6170.1-172.20110.1N175 T176 K181 F182 M252N175-K178 WeakPolarHBondContact O-CB 3.34Å; N175-K178 PolarHBondContact O-N 3.4Å; N175-K178 VanDerWaalsContact O-N 3.07Å; T176-K178 PolarHBondContact O-N 3.38Å; K178-K181 PolarHBondContact O-N 3.33Å; K178-F182 PolarHBondContact O-N 2.88Å; K178-F182 VanDerWaalsContact O-N 3.11Å; K178-M252 HydrophobicContact CD-CE 4.42Å; K178-M252 HydrophobicContact CG-CE 4.2Å
179N98.6Very high98.3Very high6 Ų628.3 Ų28.33%0.03214%0.143CC..Hα-helixtrans-59.8-49.1178.4-71.1-9.3000111.6F137 I138 G139 N175 T176 K181 F182 A183 M252F137-N179 WeakPolarHBondContact CB-ND2 3.39Å; I138-N179 VanDerWaalsContact O-CB 3.31Å; I138-N179 WeakPolarHBondContact O-CB 3.43Å; I138-N179 PolarHBondContact O-ND2 3.26Å; G139-N179 WeakPolarHBondContact O-CB 3.42Å; N175-N179 WeakPolarHBondContact O-CB 3.38Å; N175-N179 PolarHBondContact O-N 3.25Å; N175-N179 PolarHBondContact O-ND2 2.76Å; N175-N179 PolarHBondContact O-OD1 2.89Å; T176-N179 PolarHBondContact O-N 2.93Å; N179-K181 PolarHBondContact O-N 3.46Å; N179-F182 CarbonylContact O-C 3.54Å; N179-F182 WeakPolarHBondContact O-CB 3.42Å; N179-F182 PolarHBondContact O-N 3.22Å; N179-F182 VanDerWaalsContact O-N 3.11Å; N179-A183 PolarHBondContact O-N 3.15Å; N179-M252 WeakPolarHBondContact OD1-CE 3.23Å
180L98.7Very high98.3Very high0 Ų029.3 Ų29.30%015%0.148CC..Hα-helixtrans-69.3-31.2-179.9-68.1166.7000113.2T176 F182 A183 L184 M196 L197 A200 Y221T176-L180 HydrophobicContact CG2-CD1 3.54Å; T176-L180 HydrophobicContact CG2-CG 4.28Å; T176-L180 WeakPolarHBondContact O-CB 3.45Å; T176-L180 VanDerWaalsContact O-CG 3.27Å; T176-L180 WeakPolarHBondContact O-CG 3.48Å; T176-L180 PolarHBondContact O-N 3.47Å; L180-F182 VanDerWaalsContact C-N 3.31Å; L180-A183 PolarHBondContact O-N 3.36Å; L180-L184 WeakPolarHBondContact O-CB 3.49Å; L180-L184 PolarHBondContact O-N 2.78Å; L180-M196 HydrophobicContact CD1-CB 4.16Å; L180-M196 HydrophobicContact CD1-CG 3.64Å; L180-M196 HydrophobicContact CD2-CB 4.05Å; L180-M196 HydrophobicContact CD2-CG 3.87Å; L180-M196 HydrophobicContact CG-CG 4.41Å; L180-L197 HydrophobicContact CB-CB 4.08Å; L180-L197 HydrophobicContact CB-CD1 3.92Å; L180-L197 HydrophobicContact CD1-CB 4.45Å; L180-A200 HydrophobicContact CD1-CB 3.94Å; L180-Y221 HydrophobicContact CD2-CD2 3.83Å; L180-Y221 HydrophobicContact CD2-CE2 4.39Å; L180-Y221 HydrophobicContact CD2-CG 4.19Å
181K98.4Very high98.3Very high20 Ų2033.9 Ų33.99%0.08717%0.169CC..Hα-helixtrans-64.7-37.1170.1-76.8178.7-175.4-179.70112.1I177 K178 N179 L185 L197 F255 K257 E260I177-K181 HydrophobicContact CG2-CD 4.23Å; I177-K181 WeakPolarHBondContact O-CB 3.47Å; I177-K181 VanDerWaalsContact O-CG 3.26Å; I177-K181 WeakPolarHBondContact O-CG 3.43Å; I177-K181 PolarHBondContact O-N 2.84Å; K178-K181 PolarHBondContact O-N 3.33Å; N179-K181 PolarHBondContact O-N 3.46Å; K181-L185 PolarHBondContact O-N 2.99Å; K181-L197 HydrophobicContact CG-CD1 4.12Å; K181-L197 HydrophobicContact CG-CD2 4.25Å; K181-F255 HydrophobicContact CB-CE1 4.09Å; K181-F255 HydrophobicContact CB-CZ 4.04Å; K181-K257 HydrophobicContact CD-CG 4.32Å; K181-E260 IonicContact NZ-OE1 2.84Å; K181-E260 PolarHBondContact NZ-OE1 2.64Å
182F98.6Very high98.3Very high2 Ų238.2 Ų38.21%0.00919%0.188CC..Hα-helixtrans-69.5-44.7172.5178.5-103.4000111.1K178 N179 L180 L184 L185 V186 P223 F224 F235 L248 E251 M252 F255K178-F182 PolarHBondContact O-N 2.88Å; K178-F182 VanDerWaalsContact O-N 3.11Å; N179-F182 CarbonylContact O-C 3.54Å; N179-F182 WeakPolarHBondContact O-CB 3.42Å; N179-F182 PolarHBondContact O-N 3.22Å; N179-F182 VanDerWaalsContact O-N 3.11Å; L180-F182 VanDerWaalsContact C-N 3.31Å; F182-L184 PolarHBondContact O-N 3.44Å; F182-L185 HydrophobicContact CD2-CD2 4.45Å; F182-L185 WeakPolarHBondContact O-CA 3.29Å; F182-L185 VanDerWaalsContact O-CB 3.31Å; F182-L185 WeakPolarHBondContact O-CB 3.22Å; F182-L185 PolarHBondContact O-N 3.28Å; F182-V186 HydrophobicContact CD1-CG2 4.08Å; F182-V186 HydrophobicContact CE1-CG2 3.65Å; F182-V186 HydrophobicContact CE2-CG2 4.26Å; F182-V186 HydrophobicContact CZ-CG2 3.75Å; F182-V186 WeakPolarHBondContact O-CG2 3.27Å; F182-V186 PolarHBondContact O-N 2.96Å; F182-P223 HydrophobicContact CD1-CG 4.3Å; F182-P223 HydrophobicContact CE1-CG 4.37Å; F182-F224 HydrophobicContact CE1-CE2 4.48Å; F182-F224 HydrophobicContact CE1-CZ 4.31Å; F182-F235 HydrophobicContact CE2-CZ 4.49Å; F182-F235 HydrophobicContact CZ-CE1 4.37Å; F182-L248 HydrophobicContact CE1-CD2 4.3Å; F182-L248 HydrophobicContact CZ-CD2 4.34Å; F182-L248 WeakPolarHBondContact CZ-O 3.48Å; F182-E251 HydrophobicContact CE2-CB 4.05Å; F182-E251 HydrophobicContact CZ-CB 4.12Å; F182-M252 HydrophobicContact CB-CE 4.26Å; F182-M252 HydrophobicContact CB-SD 3.39Å; F182-M252 WeakPolarHBondContact CB-SD 2.93Å; F182-M252 HydrophobicContact CD1-CB 4.05Å; F182-M252 HydrophobicContact CD1-CG 4.18Å; F182-M252 HydrophobicContact CD1-SD 3.61Å; F182-M252 HydrophobicContact CD2-CB 4.29Å; F182-M252 HydrophobicContact CD2-SD 3.77Å; F182-M252 HydrophobicContact CE1-CB 3.75Å; F182-M252 HydrophobicContact CE1-CG 4.36Å; F182-M252 HydrophobicContact CE1-SD 4.31Å; F182-M252 HydrophobicContact CE2-CB 4.01Å; F182-M252 HydrophobicContact CE2-SD 4.45Å; F182-M252 HydrophobicContact CG-CB 4.31Å; F182-M252 HydrophobicContact CG-CG 4.33Å; F182-M252 HydrophobicContact CG-SD 3.29Å; F182-M252 WeakPolarHBondContact CG-SD 3.42Å; F182-M252 HydrophobicContact CZ-CB 3.73Å; F182-F255 HydrophobicContact CB-CD1 3.81Å; F182-F255 HydrophobicContact CB-CE1 3.89Å; F182-F255 HydrophobicContact CB-CG 4.33Å; F182-F255 HydrophobicContact CB-CZ 4.47Å; F182-F255 HydrophobicContact CD2-CB 3.89Å; F182-F255 HydrophobicContact CD2-CD1 4.17Å; F182-F255 HydrophobicContact CD2-CD2 4.14Å; F182-F255 AromaticContact CD2-CG 3.81Å; F182-F255 HydrophobicContact CD2-CG 3.81Å; F182-F255 HydrophobicContact CE2-CB 4.43Å; F182-F255 HydrophobicContact CG-CD1 4.44Å
183A98.7Very high98.3Very high0 Ų038.1 Ų38.10%019%0.187CC..Hα-helixtrans-55.1-39.7174.300000111.8N179 L180 L185 V186 E187 V193 P223N179-A183 PolarHBondContact O-N 3.15Å; L180-A183 PolarHBondContact O-N 3.36Å; A183-L185 VanDerWaalsContact C-N 3.33Å; A183-L185 PolarHBondContact O-N 3.47Å; A183-V186 PolarHBondContact O-N 2.73Å; A183-V186 VanDerWaalsContact O-N 3.15Å; A183-E187 PolarHBondContact O-N 2.93Å; A183-V193 HydrophobicContact CB-CG1 3.84Å; A183-V193 HydrophobicContact CB-CG2 4.05Å; A183-P223 HydrophobicContact CB-CG 4.19Å
184L98.4Very high98.3Very high52 Ų5240.7 Ų40.727%0.27220%0.198SC..Hα-helixtrans-68.5-30.7177.1-172.464.7000112.7L180 F182 E187 P188 V193 K194 L197L180-L184 WeakPolarHBondContact O-CB 3.49Å; L180-L184 PolarHBondContact O-N 2.78Å; F182-L184 PolarHBondContact O-N 3.44Å; L184-E187 CarbonylContact O-C 3.53Å; L184-P188 WeakPolarHBondContact O-CA 3.43Å; L184-P188 WeakPolarHBondContact O-CG 3.48Å; L184-V193 HydrophobicContact CB-CG1 3.82Å; L184-V193 HydrophobicContact CD1-CG1 4.22Å; L184-K194 HydrophobicContact CD1-CG 3.74Å; L184-L197 HydrophobicContact CD2-CD2 4.02Å
185L98Very high98.3Very high88 Ų8843.6 Ų43.646%0.46121%0.212SC..Hα-helixtrans-67.7-39171.2175.867000111.2K181 F182 A183 F235 F255K181-L185 PolarHBondContact O-N 2.99Å; F182-L185 HydrophobicContact CD2-CD2 4.45Å; F182-L185 WeakPolarHBondContact O-CA 3.29Å; F182-L185 VanDerWaalsContact O-CB 3.31Å; F182-L185 WeakPolarHBondContact O-CB 3.22Å; F182-L185 PolarHBondContact O-N 3.28Å; A183-L185 VanDerWaalsContact C-N 3.33Å; A183-L185 PolarHBondContact O-N 3.47Å; L185-F235 HydrophobicContact CD2-CE2 4.29Å; L185-F235 HydrophobicContact CD2-CZ 4.32Å; L185-F235 HydrophobicContact CG-CE2 3.9Å; L185-F235 HydrophobicContact CG-CZ 4.35Å; L185-F255 HydrophobicContact CD2-CD2 4.11Å; L185-F255 HydrophobicContact CD2-CE2 4.09Å
186V98.6Very high98.4Very high4 Ų442.5 Ų42.52%0.02421%0.206CC..Hα-helixtrans-72.5-45.3-179.5179.60000111.5F182 A183 P223 V232 F235 L248F182-V186 HydrophobicContact CD1-CG2 4.08Å; F182-V186 HydrophobicContact CE1-CG2 3.65Å; F182-V186 HydrophobicContact CE2-CG2 4.26Å; F182-V186 HydrophobicContact CZ-CG2 3.75Å; F182-V186 WeakPolarHBondContact O-CG2 3.27Å; F182-V186 PolarHBondContact O-N 2.96Å; A183-V186 PolarHBondContact O-N 2.73Å; A183-V186 VanDerWaalsContact O-N 3.15Å; V186-P223 HydrophobicContact CB-CB 4.44Å; V186-P223 HydrophobicContact CG1-CB 4.17Å; V186-P223 HydrophobicContact CG2-CB 4.48Å; V186-V232 HydrophobicContact CG1-CB 4.27Å; V186-V232 HydrophobicContact CG1-CG1 4.23Å; V186-V232 HydrophobicContact CG1-CG2 3.94Å; V186-F235 HydrophobicContact CB-CD1 4.33Å; V186-F235 HydrophobicContact CB-CG 4.28Å; V186-F235 HydrophobicContact CG1-CB 4.05Å; V186-F235 HydrophobicContact CG1-CD1 4.02Å; V186-F235 HydrophobicContact CG1-CG 4.02Å; V186-F235 HydrophobicContact CG2-CD1 3.86Å; V186-F235 HydrophobicContact CG2-CE1 3.79Å; V186-F235 HydrophobicContact CG2-CE2 4.45Å; V186-F235 HydrophobicContact CG2-CG 4.24Å; V186-F235 HydrophobicContact CG2-CZ 4.09Å; V186-L248 HydrophobicContact CG1-CD2 3.91Å; V186-L248 HydrophobicContact CG2-CD2 3.84Å
187E98.4Very high98.4Very high8 Ų842.9 Ų42.94%0.03721%0.208CC..  trans-12776.5-179.1-57-173.897.800111.3A183 L184 E189 N190 R226 A231 V232A183-E187 PolarHBondContact O-N 2.93Å; L184-E187 CarbonylContact O-C 3.53Å; E187-E189 PolarHBondContact O-N 3.06Å; E187-E189 VanDerWaalsContact O-N 3.09Å; E187-N190 HydrophobicContact CB-CB 3.69Å; E187-N190 WeakPolarHBondContact O-CB 3.44Å; E187-N190 PolarHBondContact O-N 3.31Å; E187-N190 PolarHBondContact OE2-ND2 3.05Å; E187-R226 IonicContact OE1-CZ 2.91Å; E187-R226 IonicContact OE1-NE 3.77Å; E187-R226 PolarHBondContact OE1-NE 2.87Å; E187-R226 IonicContact OE1-NH2 2.79Å; E187-R226 PolarHBondContact OE1-NH2 3.48Å; E187-R226 IonicContact OE2-CZ 3.16Å; E187-R226 IonicContact OE2-NE 2.63Å; E187-R226 PolarHBondContact OE2-NE 3.33Å; E187-R226 IonicContact OE2-NH2 2.54Å; E187-A231 HydrophobicContact CB-CB 4.39Å; E187-A231 HydrophobicContact CG-CB 3.88Å; E187-V232 HydrophobicContact CG-CG2 3.73Å
188P97.9Very high98.4Very high68 Ų6846.1 Ų46.144%0.44223%0.231SC..THydrogen-bonded Turntrans-60.7-24.5-174.6-25.234.5000115.4L184 K194L184-P188 WeakPolarHBondContact O-CA 3.43Å; L184-P188 WeakPolarHBondContact O-CG 3.48Å; P188-K194 WeakPolarHBondContact O-CE 3.48Å; P188-K194 PolarHBondContact O-NZ 3.11Å
189E97.9Very high98.4Very high155 Ų15547.1 Ų47.172%0.72423%0.233SC*.THydrogen-bonded Turntrans-96.82.9-179.2-53.2-52.2143.100113.1E187 E191E187-E189 PolarHBondContact O-N 3.06Å; E187-E189 VanDerWaalsContact O-N 3.09Å; E189-E191 PolarHBondContact O-N 2.93Å
190N98.5Very high98.4Very high21 Ų2146.9 Ų46.911%0.11223%0.232CC..  trans-77.8103.6177.9-174.3-17.6000110.2E187 K192 V193 K194 D220E187-N190 HydrophobicContact CB-CB 3.69Å; E187-N190 WeakPolarHBondContact O-CB 3.44Å; E187-N190 PolarHBondContact O-N 3.31Å; E187-N190 PolarHBondContact OE2-ND2 3.05Å; N190-K192 VanDerWaalsContact C-N 3.26Å; N190-K192 PolarHBondContact O-N 2.87Å; N190-K192 WeakPolarHBondContact OD1-CB 3.33Å; N190-K192 PolarHBondContact OD1-N 3.05Å; N190-V193 HydrophobicContact CB-CB 4.21Å; N190-V193 HydrophobicContact CB-CG2 3.83Å; N190-V193 WeakPolarHBondContact O-CB 3.25Å; N190-V193 PolarHBondContact O-N 3.27Å; N190-V193 PolarHBondContact OD1-N 3.21Å; N190-K194 PolarHBondContact O-N 3.36Å; N190-D220 PolarHBondContact ND2-O 3.06Å
191E98.6Very high98.3Very high103 Ų10352 Ų5248%0.48125%0.251SS..Hα-helixtrans-62.1-31.8179.4-65.2-54.7132.100112.8E189 V193 K194 E195E189-E191 PolarHBondContact O-N 2.93Å; E191-V193 VanDerWaalsContact C-N 3.32Å; E191-V193 PolarHBondContact O-N 3.03Å; E191-K194 WeakPolarHBondContact O-CB 3.01Å; E191-K194 PolarHBondContact O-N 3.17Å; E191-K194 VanDerWaalsContact O-N 3.13Å; E191-K194 IonicContact OE1-NZ 3.66Å; E191-K194 PolarHBondContact OE1-NZ 3.36Å; E191-E195 WeakPolarHBondContact O-CB 3.46Å; E191-E195 WeakPolarHBondContact O-CG 3.29Å; E191-E195 PolarHBondContact O-N 3Å
192K98.6Very high98.3Very high91 Ų9153.7 Ų53.740%0.39627%0.269SS..Hα-helixtrans-64.8-37.9176.9-69.4-77.2162.3-149.80112N190 E195 M196 D220N190-K192 VanDerWaalsContact C-N 3.26Å; N190-K192 PolarHBondContact O-N 2.87Å; N190-K192 WeakPolarHBondContact OD1-CB 3.33Å; N190-K192 PolarHBondContact OD1-N 3.05Å; K192-E195 IonicContact NZ-OE2 3.82Å; K192-E195 PolarHBondContact NZ-OE2 3.03Å; K192-M196 VanDerWaalsContact O-CB 3.27Å; K192-M196 WeakPolarHBondContact O-CB 3.48Å; K192-M196 PolarHBondContact O-N 3.05Å; K192-D220 HydrophobicContact CB-CB 4.01Å; K192-D220 HydrophobicContact CD-CB 4.27Å; K192-D220 HydrophobicContact CG-CB 3.96Å
193V98.8Very high98.2Very high0 Ų057 Ų570%028%0.281CS..Hα-helixtrans-63.5-42172.9175.30000110.9A183 L184 N190 E191 L197A183-V193 HydrophobicContact CB-CG1 3.84Å; A183-V193 HydrophobicContact CB-CG2 4.05Å; L184-V193 HydrophobicContact CB-CG1 3.82Å; L184-V193 HydrophobicContact CD1-CG1 4.22Å; N190-V193 HydrophobicContact CB-CB 4.21Å; N190-V193 HydrophobicContact CB-CG2 3.83Å; N190-V193 WeakPolarHBondContact O-CB 3.25Å; N190-V193 PolarHBondContact O-N 3.27Å; N190-V193 PolarHBondContact OD1-N 3.21Å; E191-V193 VanDerWaalsContact C-N 3.32Å; E191-V193 PolarHBondContact O-N 3.03Å; V193-L197 VanDerWaalsContact O-CB 3.23Å; V193-L197 WeakPolarHBondContact O-CB 3.35Å; V193-L197 PolarHBondContact O-N 2.83Å
194K98.6Very high97.9Very high70 Ų7060.5 Ų60.530%0.30430%0.3SS..Hα-helixtrans-66-46.4179.2-64173.4-169.9167.40111.7L184 P188 N190 E191 L197 S198L184-K194 HydrophobicContact CD1-CG 3.74Å; P188-K194 WeakPolarHBondContact O-CE 3.48Å; P188-K194 PolarHBondContact O-NZ 3.11Å; N190-K194 PolarHBondContact O-N 3.36Å; E191-K194 WeakPolarHBondContact O-CB 3.01Å; E191-K194 PolarHBondContact O-N 3.17Å; E191-K194 VanDerWaalsContact O-N 3.13Å; E191-K194 IonicContact OE1-NZ 3.66Å; E191-K194 PolarHBondContact OE1-NZ 3.36Å; K194-L197 PolarHBondContact O-N 3.13Å; K194-S198 PolarHBondContact O-N 3.06Å
195E98.4Very high97.7Very high105 Ų10564.3 Ų64.349%0.49132%0.32SS..Hα-helixtrans-57.1-53.2175.4-73.9172.8-177.500110.6E191 K192 L197 S198 W199E191-E195 WeakPolarHBondContact O-CB 3.46Å; E191-E195 WeakPolarHBondContact O-CG 3.29Å; E191-E195 PolarHBondContact O-N 3Å; K192-E195 IonicContact NZ-OE2 3.82Å; K192-E195 PolarHBondContact NZ-OE2 3.03Å; E195-L197 VanDerWaalsContact C-N 3.34Å; E195-L197 PolarHBondContact O-N 3.31Å; E195-S198 WeakPolarHBondContact O-CB 3.42Å; E195-S198 PolarHBondContact O-N 2.78Å; E195-W199 PolarHBondContact O-N 2.8Å
196M98.4Very high97.6Very high16 Ų1664.6 Ų64.68%0.07932%0.323CS..Hα-helixtrans-64.7-37.3-178.3-16961.2174.600112I138 L180 K192 W199 A200 Y221I138-M196 HydrophobicContact CG2-CE 3.7Å; L180-M196 HydrophobicContact CD1-CB 4.16Å; L180-M196 HydrophobicContact CD1-CG 3.64Å; L180-M196 HydrophobicContact CD2-CB 4.05Å; L180-M196 HydrophobicContact CD2-CG 3.87Å; L180-M196 HydrophobicContact CG-CG 4.41Å; K192-M196 VanDerWaalsContact O-CB 3.27Å; K192-M196 WeakPolarHBondContact O-CB 3.48Å; K192-M196 PolarHBondContact O-N 3.05Å; M196-W199 HydrophobicContact CE-CE3 3.58Å; M196-W199 HydrophobicContact CE-CH2 4.03Å; M196-W199 HydrophobicContact CE-CZ3 3.29Å; M196-W199 PolarHBondContact O-N 2.6Å; M196-W199 HydrophobicContact SD-CD2 4.15Å; M196-W199 HydrophobicContact SD-CE3 3.56Å; M196-W199 VanDerWaalsContact SD-CE3 3.56Å; M196-W199 HydrophobicContact SD-CZ3 3.95Å; M196-A200 WeakPolarHBondContact O-CB 3.45Å; M196-A200 PolarHBondContact O-N 3.44Å; M196-Y221 HydrophobicContact CB-CD1 3.99Å; M196-Y221 HydrophobicContact CB-CE1 4.21Å; M196-Y221 HydrophobicContact CB-CG 4.45Å; M196-Y221 HydrophobicContact CE-CE1 4.18Å; M196-Y221 HydrophobicContact CG-CD1 3.95Å; M196-Y221 HydrophobicContact CG-CE1 3.7Å; M196-Y221 HydrophobicContact CG-CE2 4.45Å; M196-Y221 HydrophobicContact CG-CG 4.42Å; M196-Y221 HydrophobicContact SD-CE1 4.04Å
197L98.4Very high97.3Very high7 Ų772 Ų724%0.03736%0.362CS..Hα-helixtrans-65.7-38.8175.3178.959.3000112I177 L180 K181 L184 V193 K194 E195 R201I177-L197 HydrophobicContact CG2-CD1 4.25Å; L180-L197 HydrophobicContact CB-CB 4.08Å; L180-L197 HydrophobicContact CB-CD1 3.92Å; L180-L197 HydrophobicContact CD1-CB 4.45Å; K181-L197 HydrophobicContact CG-CD1 4.12Å; K181-L197 HydrophobicContact CG-CD2 4.25Å; L184-L197 HydrophobicContact CD2-CD2 4.02Å; V193-L197 VanDerWaalsContact O-CB 3.23Å; V193-L197 WeakPolarHBondContact O-CB 3.35Å; V193-L197 PolarHBondContact O-N 2.83Å; K194-L197 PolarHBondContact O-N 3.13Å; E195-L197 VanDerWaalsContact C-N 3.34Å; E195-L197 PolarHBondContact O-N 3.31Å; L197-R201 WeakPolarHBondContact O-CG 3.09Å; L197-R201 PolarHBondContact O-N 3.04Å; L197-R201 VanDerWaalsContact O-N 3.1Å
198S98.1Very high97.2Very high78 Ų7876.4 Ų76.455%0.54538%0.381SS..Hα-helixtrans-65.2-43.8175.2-169.70000111.3K194 E195 R201 A202K194-S198 PolarHBondContact O-N 3.06Å; E195-S198 WeakPolarHBondContact O-CB 3.42Å; E195-S198 PolarHBondContact O-N 2.78Å; S198-R201 PolarHBondContact O-N 2.96Å; S198-A202 PolarHBondContact O-N 2.74Å; S198-A202 VanDerWaalsContact O-N 3.12Å
199W98.3Very high97.2Very high96 Ų9674.6 Ų74.636%0.36437%0.369SS..Hα-helixtrans-61.4-46175.7172.891000112E195 M196 R201 A202 R203 T210E195-W199 PolarHBondContact O-N 2.8Å; M196-W199 HydrophobicContact CE-CE3 3.58Å; M196-W199 HydrophobicContact CE-CH2 4.03Å; M196-W199 HydrophobicContact CE-CZ3 3.29Å; M196-W199 PolarHBondContact O-N 2.6Å; M196-W199 HydrophobicContact SD-CD2 4.15Å; M196-W199 HydrophobicContact SD-CE3 3.56Å; M196-W199 VanDerWaalsContact SD-CE3 3.56Å; M196-W199 HydrophobicContact SD-CZ3 3.95Å; W199-R201 VanDerWaalsContact C-N 3.33Å; W199-R201 PolarHBondContact O-N 3.43Å; W199-A202 PolarHBondContact O-N 3.04Å; W199-R203 HydrophobicContact CD2-CG 4.45Å; W199-R203 VanDerWaalsContact CH2-CD 3.46Å; W199-R203 HydrophobicContact CZ2-CG 4.47Å; W199-R203 WeakPolarHBondContact O-CG 3.39Å; W199-R203 PolarHBondContact O-N 3.13Å; W199-R203 VanDerWaalsContact O-N 3.1Å; W199-T210 WeakPolarHBondContact CH2-O 3.4Å; W199-T210 HydrophobicContact CZ3-CG2 4.1Å
200A98.1Very high97.2Very high0 Ų067.3 Ų67.30%034%0.335CS..Hα-helixtrans-62.6-40-179.800000111.9T176 I177 L180 M196 R203 D204 T210T176-A200 HydrophobicContact CG2-CB 3.88Å; I177-A200 HydrophobicContact CG1-CB 3.92Å; L180-A200 HydrophobicContact CD1-CB 3.94Å; M196-A200 WeakPolarHBondContact O-CB 3.45Å; M196-A200 PolarHBondContact O-N 3.44Å; A200-R203 PolarHBondContact O-N 2.86Å; A200-D204 WeakPolarHBondContact O-CB 3.43Å; A200-D204 PolarHBondContact O-N 3.37Å; A200-T210 HydrophobicContact CB-CG2 4.04Å
201R97.3Very high97.2Very high109 Ų10966.7 Ų66.741%0.41133%0.332SS..Hα-helixtrans-62.2-46174-78172.6167161.9-3.4112.8I177 L197 S198 W199 R203 D204 D205I177-R201 HydrophobicContact CD1-CG 4.18Å; L197-R201 WeakPolarHBondContact O-CG 3.09Å; L197-R201 PolarHBondContact O-N 3.04Å; L197-R201 VanDerWaalsContact O-N 3.1Å; S198-R201 PolarHBondContact O-N 2.96Å; W199-R201 VanDerWaalsContact C-N 3.33Å; W199-R201 PolarHBondContact O-N 3.43Å; R201-R203 PolarHBondContact O-N 3.15Å; R201-D204 PolarHBondContact O-N 2.87Å; R201-D205 WeakPolarHBondContact O-CB 3.39Å; R201-D205 VanDerWaalsContact O-CG 3.3Å; R201-D205 PolarHBondContact O-N 3.44Å
202A97.4Very high97.2Very high55 Ų5564.3 Ų64.346%0.45533%0.326SS..Hα-helixtrans-62-30.2178.300000112.2S198 W199 D206S198-A202 PolarHBondContact O-N 2.74Å; S198-A202 VanDerWaalsContact O-N 3.12Å; W199-A202 PolarHBondContact O-N 3.04Å; A202-D206 WeakPolarHBondContact O-CB 3.47Å; A202-D206 PolarHBondContact O-N 3.49Å
203R96.7Very high97.2Very high72 Ų7260 Ų6027%0.27231%0.307SS..Hα-helixtrans-75.8-41.4174.3-68.3-173.571.989.8-4.7113.1W199 A200 R201 D205 D206 D207 K208 P209 T210W199-R203 HydrophobicContact CD2-CG 4.45Å; W199-R203 VanDerWaalsContact CH2-CD 3.46Å; W199-R203 HydrophobicContact CZ2-CG 4.47Å; W199-R203 WeakPolarHBondContact O-CG 3.39Å; W199-R203 PolarHBondContact O-N 3.13Å; W199-R203 VanDerWaalsContact O-N 3.1Å; A200-R203 PolarHBondContact O-N 2.86Å; R201-R203 PolarHBondContact O-N 3.15Å; R203-D205 VanDerWaalsContact C-N 3.34Å; R203-D206 CarbonylContact O-C 3.55Å; R203-D206 WeakPolarHBondContact O-CA 3.29Å; R203-D206 PolarHBondContact O-N 3.22Å; R203-D206 VanDerWaalsContact O-N 3.1Å; R203-D207 PolarHBondContact O-N 3.49Å; R203-K208 HydrophobicContact CB-CB 4.14Å; R203-K208 PolarHBondContact O-N 2.82Å; R203-P209 PolarHBondContact NE-O 3.31Å; R203-P209 PolarHBondContact NH2-O 2.91Å; R203-T210 HydrophobicContact CB-CG2 4.4Å
204D93.3Very high97.2Very high73 Ų7361.5 Ų61.539%0.3932%0.316SS..Hα-helixtrans-60.2-44.2174.5-169.656.7000111I177 A200 R201 D206 D207I177-D204 HydrophobicContact CD1-CB 3.5Å; I177-D204 WeakPolarHBondContact CD1-OD2 3.49Å; A200-D204 WeakPolarHBondContact O-CB 3.43Å; A200-D204 PolarHBondContact O-N 3.37Å; R201-D204 PolarHBondContact O-N 2.87Å; D204-D206 PolarHBondContact O-N 3.06Å; D204-D206 VanDerWaalsContact O-N 3.17Å; D204-D207 PolarHBondContact O-N 3.44Å
205D93.6Very high97.1Very high131 Ų13158.3 Ų58.370%0.70130%0.302SS*.THydrogen-bonded Turntrans-60-25.7174.3-70.7-23.8000112.9R201 R203R201-D205 WeakPolarHBondContact O-CB 3.39Å; R201-D205 VanDerWaalsContact O-CG 3.3Å; R201-D205 PolarHBondContact O-N 3.44Å; R203-D205 VanDerWaalsContact C-N 3.34Å
206D95.1Very high97.1Very high95 Ų9558.4 Ų58.451%0.50830%0.303SS..THydrogen-bonded Turntrans-97.56.5179.4-86.9-1.9000113.2A202 R203 D204 K208A202-D206 WeakPolarHBondContact O-CB 3.47Å; A202-D206 PolarHBondContact O-N 3.49Å; R203-D206 CarbonylContact O-C 3.55Å; R203-D206 WeakPolarHBondContact O-CA 3.29Å; R203-D206 PolarHBondContact O-N 3.22Å; R203-D206 VanDerWaalsContact O-N 3.1Å; D204-D206 PolarHBondContact O-N 3.06Å; D204-D206 VanDerWaalsContact O-N 3.17Å; D206-K208 HydrophobicContact CB-CD 3.79Å; D206-K208 HydrophobicContact CB-CG 4.05Å; D206-K208 PolarHBondContact O-N 3.11Å; D206-K208 IonicContact OD2-NZ 2.69Å; D206-K208 PolarHBondContact OD2-NZ 2.91Å
207D93.1Very high97.1Very high159 Ų15961.3 Ų61.385%0.8532%0.316SS*.THydrogen-bonded Turntrans53.334.8-172.4-67.2-52.8000113.5R203 D204R203-D207 PolarHBondContact O-N 3.49Å; D204-D207 PolarHBondContact O-N 3.44Å
208K96.1Very high97.1Very high100 Ų10061 Ų6144%0.43532%0.315SS..  trans-104.3132.8-178.9-72.4169.7-169.5156.60111.6R203 D206R203-K208 HydrophobicContact CB-CB 4.14Å; R203-K208 PolarHBondContact O-N 2.82Å; D206-K208 HydrophobicContact CB-CD 3.79Å; D206-K208 HydrophobicContact CB-CG 4.05Å; D206-K208 PolarHBondContact O-N 3.11Å; D206-K208 IonicContact OD2-NZ 2.69Å; D206-K208 PolarHBondContact OD2-NZ 2.91Å
209P97.6Very high97.1Very high31 Ų3160.2 Ų60.220%0.20130%0.302CS..  trans-55.3141.7172.7-27.735.8000112.9V5 Y13 R203 V211V5-P209 HydrophobicContact CG1-CB 4.01Å; V5-P209 HydrophobicContact CG1-CG 4.02Å; Y13-P209 HydrophobicContact CE1-CB 3.82Å; Y13-P209 HydrophobicContact CE1-CG 4.06Å; Y13-P209 VanDerWaalsContact OH-CA 3.26Å; Y13-P209 WeakPolarHBondContact OH-CA 3.26Å; Y13-P209 VanDerWaalsContact OH-CB 3.3Å; Y13-P209 WeakPolarHBondContact OH-CB 3.33Å; R203-P209 PolarHBondContact NE-O 3.31Å; R203-P209 PolarHBondContact NH2-O 2.91Å; P209-V211 VanDerWaalsContact C-N 3.32Å; P209-V211 HydrophobicContact CB-CG2 4Å
210T98.4Very high97.1Very high2 Ų259 Ų591%0.01230%0.302CS..  trans-84.6-6.317458.10000113.5I138 E174 T176 W199 A200 R203I138-T210 WeakPolarHBondContact CD1-O 3.24Å; E174-T210 PolarHBondContact OE1-OG1 2.64Å; E174-T210 WeakPolarHBondContact OE2-CB 3.4Å; E174-T210 WeakPolarHBondContact OE2-CG2 3.4Å; E174-T210 PolarHBondContact OE2-N 2.86Å; E174-T210 PolarHBondContact OE2-OG1 3.25Å; T176-T210 VanDerWaalsContact CB-OG1 3.24Å; T176-T210 WeakPolarHBondContact CB-OG1 3.48Å; T176-T210 HydrophobicContact CG2-CG2 4.08Å; T176-T210 PolarHBondContact OG1-OG1 2.92Å; W199-T210 WeakPolarHBondContact CH2-O 3.4Å; W199-T210 HydrophobicContact CZ3-CG2 4.1Å; A200-T210 HydrophobicContact CB-CG2 4.04Å; R203-T210 HydrophobicContact CB-CG2 4.4Å
211V98.3Very high97.2Very high8 Ų859.2 Ų59.25%0.04830%0.303CS..  trans-82.6152170.5-67.80000112.5V5 Y13 Y15 I138 F170 P209V5-V211 HydrophobicContact CB-CG2 4.43Å; V5-V211 HydrophobicContact CG1-CG2 3.6Å; V5-V211 HydrophobicContact CG2-CG2 3.95Å; Y13-V211 HydrophobicContact CD1-CG2 4.49Å; Y13-V211 HydrophobicContact CD2-CG1 4.11Å; Y13-V211 HydrophobicContact CD2-CG2 3.86Å; Y13-V211 HydrophobicContact CE1-CG2 4.34Å; Y13-V211 HydrophobicContact CE2-CB 4.43Å; Y13-V211 HydrophobicContact CE2-CG1 3.91Å; Y13-V211 HydrophobicContact CE2-CG2 3.64Å; Y13-V211 HydrophobicContact CG-CG2 4.28Å; Y15-V211 HydrophobicContact CE1-CG2 4.23Å; I138-V211 HydrophobicContact CD1-CB 4.36Å; I138-V211 HydrophobicContact CD1-CG1 3.73Å; I138-V211 HydrophobicContact CG1-CG1 4.43Å; F170-V211 HydrophobicContact CD1-CB 4.39Å; P209-V211 VanDerWaalsContact C-N 3.32Å; P209-V211 HydrophobicContact CB-CG2 4Å
212P98.4Very high97.2Very high52 Ų5254 Ų5434%0.33828%0.283SS..  cis-81.9159.1-10.834.2-34.1000112.9K168 V169 F170K168-P212 HydrophobicContact CB-CB 4.04Å; K168-P212 HydrophobicContact CB-CG 4.39Å; K168-P212 HydrophobicContact CD-CG 4.49Å; V169-P212 WeakPolarHBondContact O-CA 3.46Å; V169-P212 VanDerWaalsContact O-CB 3.27Å; V169-P212 WeakPolarHBondContact O-CB 3.17Å; F170-P212 HydrophobicContact CD1-CB 3.93Å; F170-P212 HydrophobicContact CD2-CB 4.18Å; F170-P212 HydrophobicContact CE1-CB 3.59Å; F170-P212 HydrophobicContact CE1-CG 3.73Å; F170-P212 HydrophobicContact CE2-CB 3.85Å; F170-P212 HydrophobicContact CE2-CG 4.23Å; F170-P212 HydrophobicContact CG-CB 4.23Å; F170-P212 HydrophobicContact CZ-CB 3.55Å; F170-P212 HydrophobicContact CZ-CG 3.55Å
213S98.3Very high97.3Very high2 Ų251.4 Ų51.41%0.01426%0.262CS..EExtended strand (participates in β ladder)trans-97.3-170.5153.265.40000110.1K168 V169 E218 Y221K168-S213 CarbonylContact C-O 3.59Å; K168-S213 VanDerWaalsContact CA-O 3.25Å; K168-S213 WeakPolarHBondContact CA-O 3.31Å; V169-S213 PolarHBondContact N-O 3.34Å; V169-S213 PolarHBondContact O-N 2.91Å; S213-E218 WeakPolarHBondContact CB-OE1 3.3Å; S213-E218 PolarHBondContact OG-OE1 3.31Å; S213-Y221 WeakPolarHBondContact CB-OH 3.45Å
214T98.6Very high97.4Very high31 Ų3148 Ų4819%0.1925%0.249CC..EExtended strand (participates in β ladder)trans-120.5156.7167.960.10000111.5T167 Q216 E217 E218T167-T214 CarbonylContact O-C 3.42Å; T167-T214 VanDerWaalsContact O-CA 3.29Å; T167-T214 WeakPolarHBondContact O-CA 3.42Å; T214-Q216 PolarHBondContact O-N 2.67Å; T214-E217 WeakPolarHBondContact CB-OE2 3.37Å; T214-E217 PolarHBondContact N-OE2 3.31Å; T214-E217 WeakPolarHBondContact O-CB 3.39Å; T214-E217 PolarHBondContact O-N 2.81Å; T214-E217 VanDerWaalsContact O-N 3.13Å; T214-E217 WeakPolarHBondContact OG1-CB 3.5Å; T214-E217 VanDerWaalsContact OG1-CG 3.23Å; T214-E217 WeakPolarHBondContact OG1-CG 3.36Å; T214-E217 PolarHBondContact OG1-N 3.46Å; T214-E217 PolarHBondContact OG1-OE2 3.46Å; T214-E218 WeakPolarHBondContact O-CG 3.34Å; T214-E218 PolarHBondContact O-N 2.78Å
215L98.3Very high97.6Very high2 Ų245.6 Ų45.61%0.0124%0.236CC..Hα-helixtrans-59.3-36.8175.2-71.6179.9000112.4L136 I160 L163 Q165 T167 V169 E217 E218 F219L136-L215 HydrophobicContact CD2-CD2 4.03Å; I160-L215 HydrophobicContact CG2-CD1 4.37Å; I160-L215 HydrophobicContact CG2-CD2 3.55Å; I160-L215 WeakPolarHBondContact O-CD1 3.47Å; L163-L215 HydrophobicContact CB-CD1 3.61Å; L163-L215 HydrophobicContact CD1-CD1 4.27Å; L163-L215 HydrophobicContact CG-CD1 4.47Å; Q165-L215 PolarHBondContact O-N 2.72Å; T167-L215 HydrophobicContact CG2-CD1 4.4Å; T167-L215 PolarHBondContact O-N 3.27Å; V169-L215 HydrophobicContact CG2-CD2 3.57Å; V169-L215 HydrophobicContact CG2-CG 3.92Å; L215-E217 VanDerWaalsContact C-N 3.32Å; L215-E217 PolarHBondContact O-N 3.38Å; L215-E218 PolarHBondContact O-N 3.02Å; L215-F219 WeakPolarHBondContact O-CD2 3.18Å; L215-F219 PolarHBondContact O-N 2.74Å
216Q97.9Very high97.9Very high107 Ų10741.1 Ų41.150%0.521%0.209SC..Hα-helixtrans-54.2-50.1173.6-170.1170.446.600111.4Q165 T214 F219Q165-Q216 HydrophobicContact CB-CB 4.08Å; Q165-Q216 WeakPolarHBondContact O-CB 3.27Å; Q165-Q216 PolarHBondContact O-N 2.82Å; T214-Q216 PolarHBondContact O-N 2.67Å; Q216-F219 PolarHBondContact O-N 3.39Å
217E98.2Very high98Very high77 Ų7736.9 Ų36.936%0.3619%0.186SC..Hα-helixtrans-63.9-41178.8-75.1169.812900112.3T214 L215 F219 D220 Y221T214-E217 WeakPolarHBondContact CB-OE2 3.37Å; T214-E217 PolarHBondContact N-OE2 3.31Å; T214-E217 WeakPolarHBondContact O-CB 3.39Å; T214-E217 PolarHBondContact O-N 2.81Å; T214-E217 VanDerWaalsContact O-N 3.13Å; T214-E217 WeakPolarHBondContact OG1-CB 3.5Å; T214-E217 VanDerWaalsContact OG1-CG 3.23Å; T214-E217 WeakPolarHBondContact OG1-CG 3.36Å; T214-E217 PolarHBondContact OG1-N 3.46Å; T214-E217 PolarHBondContact OG1-OE2 3.46Å; L215-E217 VanDerWaalsContact C-N 3.32Å; L215-E217 PolarHBondContact O-N 3.38Å; E217-F219 PolarHBondContact O-N 2.91Å; E217-D220 WeakPolarHBondContact O-CB 3.24Å; E217-D220 PolarHBondContact O-N 3.18Å; E217-Y221 HydrophobicContact CB-CE1 3.75Å; E217-Y221 WeakPolarHBondContact O-CD1 3.27Å; E217-Y221 WeakPolarHBondContact O-CE1 3.38Å; E217-Y221 PolarHBondContact O-N 2.97Å
218E98.6Very high98.2Very high0 Ų033.4 Ų33.40%018%0.175CC..Hα-helixtrans-60.6-33.4179.6-66.6-61.3144.200112.5I138 G139 V169 S213 T214 L215 D220 Y221 N222 L225I138-E218 VanDerWaalsContact CA-OE1 3.29Å; I138-E218 WeakPolarHBondContact CA-OE1 3.46Å; G139-E218 PolarHBondContact N-OE2 2.69Å; V169-E218 HydrophobicContact CG2-CG 4.45Å; S213-E218 WeakPolarHBondContact CB-OE1 3.3Å; S213-E218 PolarHBondContact OG-OE1 3.31Å; T214-E218 WeakPolarHBondContact O-CG 3.34Å; T214-E218 PolarHBondContact O-N 2.78Å; L215-E218 PolarHBondContact O-N 3.02Å; E218-D220 PolarHBondContact O-N 3.03Å; E218-Y221 PolarHBondContact OE1-OH 3.47Å; E218-Y221 WeakPolarHBondContact OE2-CE2 3.26Å; E218-N222 HydrophobicContact CB-CB 4.33Å; E218-N222 WeakPolarHBondContact O-CB 3.3Å; E218-N222 PolarHBondContact O-N 2.83Å; E218-N222 WeakPolarHBondContact OE2-CB 3.37Å; E218-N222 PolarHBondContact OE2-ND2 3.26Å; E218-L225 HydrophobicContact CB-CD1 3.58Å
219F98.3Very high98.3Very high63 Ų6332.8 Ų32.828%0.27617%0.173SC..Hα-helixtrans-65.3-21.1174.2-71-63.7000113.6A161 L215 Q216 E217 L225 R226A161-F219 HydrophobicContact CB-CE1 4.1Å; A161-F219 HydrophobicContact CB-CZ 3.59Å; L215-F219 WeakPolarHBondContact O-CD2 3.18Å; L215-F219 PolarHBondContact O-N 2.74Å; Q216-F219 PolarHBondContact O-N 3.39Å; E217-F219 PolarHBondContact O-N 2.91Å; F219-L225 HydrophobicContact CD1-CB 4.03Å; F219-L225 HydrophobicContact CE1-CB 4.33Å; F219-L225 HydrophobicContact CE1-CD2 4Å; F219-R226 VanDerWaalsContact O-CD 3.25Å; F219-R226 WeakPolarHBondContact O-CD 3.45Å; F219-R226 WeakPolarHBondContact O-CG 3.47Å; F219-R226 PolarHBondContact O-NH1 3.32Å
220D98.4Very high98.3Very high69 Ų6939.8 Ų39.837%0.36920%0.2SC..Hα-helixtrans-85.7-29.7-177.5-72.9-23.2000113.2N190 K192 E217 E218 R226N190-D220 PolarHBondContact ND2-O 3.06Å; K192-D220 HydrophobicContact CB-CB 4.01Å; K192-D220 HydrophobicContact CD-CB 4.27Å; K192-D220 HydrophobicContact CG-CB 3.96Å; E217-D220 WeakPolarHBondContact O-CB 3.24Å; E217-D220 PolarHBondContact O-N 3.18Å; E218-D220 PolarHBondContact O-N 3.03Å; D220-R226 PolarHBondContact O-NH1 3.17Å
221Y98.6Very high98.3Very high6 Ų641.8 Ų41.82%0.02422%0.217CC..Hα-helixtrans-132.1-14.4-17458-112.7000116.3I138 L180 M196 S213 E217 E218 P223I138-Y221 HydrophobicContact CG2-CE2 4.09Å; L180-Y221 HydrophobicContact CD2-CD2 3.83Å; L180-Y221 HydrophobicContact CD2-CE2 4.39Å; L180-Y221 HydrophobicContact CD2-CG 4.19Å; M196-Y221 HydrophobicContact CB-CD1 3.99Å; M196-Y221 HydrophobicContact CB-CE1 4.21Å; M196-Y221 HydrophobicContact CB-CG 4.45Å; M196-Y221 HydrophobicContact CE-CE1 4.18Å; M196-Y221 HydrophobicContact CG-CD1 3.95Å; M196-Y221 HydrophobicContact CG-CE1 3.7Å; M196-Y221 HydrophobicContact CG-CE2 4.45Å; M196-Y221 HydrophobicContact CG-CG 4.42Å; M196-Y221 HydrophobicContact SD-CE1 4.04Å; S213-Y221 WeakPolarHBondContact CB-OH 3.45Å; E217-Y221 HydrophobicContact CB-CE1 3.75Å; E217-Y221 WeakPolarHBondContact O-CD1 3.27Å; E217-Y221 WeakPolarHBondContact O-CE1 3.38Å; E217-Y221 PolarHBondContact O-N 2.97Å; E218-Y221 PolarHBondContact OE1-OH 3.47Å; E218-Y221 WeakPolarHBondContact OE2-CE2 3.26Å; Y221-P223 VanDerWaalsContact O-CD 3.3Å; Y221-P223 WeakPolarHBondContact O-CD 3.09Å
222N98.8Very high98.3Very high0 Ų041.4 Ų41.40%022%0.215CC..  trans-83.9112-176.3-169-31.7000110.3L136 F137 G139 G140 E218 F224 L225 R226L136-N222 WeakPolarHBondContact CD1-ND2 3.06Å; F137-N222 PolarHBondContact O-ND2 3.47Å; G139-N222 VanDerWaalsContact C-CG 3.47Å; G140-N222 PolarHBondContact N-ND2 2.9Å; G140-N222 PolarHBondContact O-ND2 3.5Å; E218-N222 HydrophobicContact CB-CB 4.33Å; E218-N222 WeakPolarHBondContact O-CB 3.3Å; E218-N222 PolarHBondContact O-N 2.83Å; E218-N222 WeakPolarHBondContact OE2-CB 3.37Å; E218-N222 PolarHBondContact OE2-ND2 3.26Å; N222-F224 PolarHBondContact O-N 3.26Å; N222-F224 WeakPolarHBondContact OD1-CB 3.21Å; N222-F224 WeakPolarHBondContact OD1-CD2 3.45Å; N222-F224 PolarHBondContact OD1-N 3.27Å; N222-F224 VanDerWaalsContact OD1-N 3.11Å; N222-L225 HydrophobicContact CB-CB 4.44Å; N222-L225 HydrophobicContact CB-CD1 4.24Å; N222-L225 PolarHBondContact O-N 2.94Å; N222-R226 WeakPolarHBondContact O-CD 3.25Å; N222-R226 VanDerWaalsContact O-CG 3.28Å; N222-R226 WeakPolarHBondContact O-CG 3.29Å; N222-R226 PolarHBondContact O-N 2.77Å
223P98.6Very high98.3Very high0 Ų040 Ų400%020%0.204CC..G310 helixtrans-62-24.4-174.826-34.8000112.6F182 A183 V186 Y221 L225 R226 L248F182-P223 HydrophobicContact CD1-CG 4.3Å; F182-P223 HydrophobicContact CE1-CG 4.37Å; A183-P223 HydrophobicContact CB-CG 4.19Å; V186-P223 HydrophobicContact CB-CB 4.44Å; V186-P223 HydrophobicContact CG1-CB 4.17Å; V186-P223 HydrophobicContact CG2-CB 4.48Å; Y221-P223 VanDerWaalsContact O-CD 3.3Å; Y221-P223 WeakPolarHBondContact O-CD 3.09Å; P223-L225 VanDerWaalsContact C-N 3.31Å; P223-L225 PolarHBondContact O-N 3.37Å; P223-R226 PolarHBondContact O-N 3.26Å; P223-L248 HydrophobicContact CB-CD1 4.23Å; P223-L248 HydrophobicContact CB-CD2 4.47Å; P223-L248 WeakPolarHBondContact O-CD1 3.35Å
224F98.7Very high98.4Very high1 Ų148.6 Ų48.60%0.00424%0.241CC..G310 helixtrans-77.6-13.9179.1-60.8-78.5000113.8C141 L156 F182 N222 M245 L248 R249 M252C141-F224 HydrophobicContact CB-CB 4.32Å; C141-F224 HydrophobicContact CB-CD2 4.18Å; C141-F224 HydrophobicContact CB-CG 4.12Å; C141-F224 WeakPolarHBondContact SG-CD1 3.24Å; C141-F224 VanDerWaalsContact SG-CE1 3.59Å; C141-F224 VanDerWaalsContact SG-CG 3.53Å; L156-F224 HydrophobicContact CD1-CB 3.79Å; F182-F224 HydrophobicContact CE1-CE2 4.48Å; F182-F224 HydrophobicContact CE1-CZ 4.31Å; N222-F224 PolarHBondContact O-N 3.26Å; N222-F224 WeakPolarHBondContact OD1-CB 3.21Å; N222-F224 WeakPolarHBondContact OD1-CD2 3.45Å; N222-F224 PolarHBondContact OD1-N 3.27Å; N222-F224 VanDerWaalsContact OD1-N 3.11Å; F224-M245 HydrophobicContact CB-CE 4.35Å; F224-M245 HydrophobicContact CB-SD 4.44Å; F224-M245 HydrophobicContact CD1-SD 3.59Å; F224-M245 VanDerWaalsContact CD1-SD 3.59Å; F224-M245 HydrophobicContact CE1-SD 4.35Å; F224-M245 HydrophobicContact CG-SD 4.47Å; F224-L248 HydrophobicContact CD1-CB 4.12Å; F224-L248 HydrophobicContact CD1-CD1 4.27Å; F224-L248 HydrophobicContact CE1-CB 3.63Å; F224-L248 HydrophobicContact CZ-CB 4.28Å; F224-R249 HydrophobicContact CE1-CB 4.25Å; F224-M252 HydrophobicContact CZ-CB 4.07Å; F224-M252 HydrophobicContact CZ-CG 4.37Å
225L98.4Very high98.4Very high21 Ų2150.4 Ų50.411%0.1125%0.246CC..G310 helixtrans-102.4-1.5171.1-73.5164.6000112.6L136 L156 E218 F219 N222 P223L136-L225 HydrophobicContact CD1-CD1 4.09Å; L156-L225 HydrophobicContact CB-CD2 3.84Å; E218-L225 HydrophobicContact CB-CD1 3.58Å; F219-L225 HydrophobicContact CD1-CB 4.03Å; F219-L225 HydrophobicContact CE1-CB 4.33Å; F219-L225 HydrophobicContact CE1-CD2 4Å; N222-L225 HydrophobicContact CB-CB 4.44Å; N222-L225 HydrophobicContact CB-CD1 4.24Å; N222-L225 PolarHBondContact O-N 2.94Å; P223-L225 VanDerWaalsContact C-N 3.31Å; P223-L225 PolarHBondContact O-N 3.37Å
226R98.3Very high98.4Very high37 Ų3751 Ų5114%0.1425%0.25CC..  trans-117.429.9-172.9-65.6172.961.970.25.6112.6E187 F219 D220 N222 P223 S228 E229 V232E187-R226 IonicContact OE1-CZ 2.91Å; E187-R226 IonicContact OE1-NE 3.77Å; E187-R226 PolarHBondContact OE1-NE 2.87Å; E187-R226 IonicContact OE1-NH2 2.79Å; E187-R226 PolarHBondContact OE1-NH2 3.48Å; E187-R226 IonicContact OE2-CZ 3.16Å; E187-R226 IonicContact OE2-NE 2.63Å; E187-R226 PolarHBondContact OE2-NE 3.33Å; E187-R226 IonicContact OE2-NH2 2.54Å; F219-R226 VanDerWaalsContact O-CD 3.25Å; F219-R226 WeakPolarHBondContact O-CD 3.45Å; F219-R226 WeakPolarHBondContact O-CG 3.47Å; F219-R226 PolarHBondContact O-NH1 3.32Å; D220-R226 PolarHBondContact O-NH1 3.17Å; N222-R226 WeakPolarHBondContact O-CD 3.25Å; N222-R226 VanDerWaalsContact O-CG 3.28Å; N222-R226 WeakPolarHBondContact O-CG 3.29Å; N222-R226 PolarHBondContact O-N 2.77Å; P223-R226 PolarHBondContact O-N 3.26Å; R226-S228 PolarHBondContact O-N 3.41Å; R226-E229 HydrophobicContact CB-CB 4.46Å; R226-E229 HydrophobicContact CB-CG 3.86Å; R226-E229 HydrophobicContact CG-CG 4.49Å; R226-E229 VanDerWaalsContact O-CB 3.29Å; R226-E229 WeakPolarHBondContact O-CB 3.21Å; R226-E229 WeakPolarHBondContact O-CG 3.17Å; R226-E229 PolarHBondContact O-N 3.07Å; R226-V232 HydrophobicContact CB-CG2 4.26Å; R226-V232 WeakPolarHBondContact O-CG2 3.21Å
227L98.3Very high98.4Very high6 Ų648.8 Ų48.83%0.03126%0.256CS..THydrogen-bonded Turntrans-61.1-22.8-169.8-53174.5000114.5H153 Q233 P241 V244 M245 L248H153-L227 WeakPolarHBondContact CD2-CD1 3.5Å; L227-Q233 WeakPolarHBondContact O-CG 3.28Å; L227-P241 HydrophobicContact CB-CB 4.25Å; L227-P241 HydrophobicContact CD1-CB 4.18Å; L227-V244 HydrophobicContact CB-CB 4.43Å; L227-V244 HydrophobicContact CB-CG1 4.12Å; L227-V244 HydrophobicContact CD2-CG1 3.91Å; L227-M245 HydrophobicContact CD1-CB 4.18Å; L227-M245 HydrophobicContact CD1-CE 3.82Å; L227-M245 HydrophobicContact CD2-CB 4.27Å; L227-M245 HydrophobicContact CD2-CE 4.27Å; L227-L248 HydrophobicContact CD2-CD1 3.69Å
228S97.3Very high98.4Very high86 Ų8649.2 Ų49.260%0.60126%0.257SS*.THydrogen-bonded Turntrans-90.3-5.9178.8-59.50000113.5R226R226-S228 PolarHBondContact O-N 3.41Å
229E98.3Very high98.4Very high88 Ų8855.6 Ų55.641%0.41129%0.288SS..SBendtrans-70.5136-179.3-68.9-62.2151.900111R226 A231 V232 Q233R226-E229 HydrophobicContact CB-CB 4.46Å; R226-E229 HydrophobicContact CB-CG 3.86Å; R226-E229 HydrophobicContact CG-CG 4.49Å; R226-E229 VanDerWaalsContact O-CB 3.29Å; R226-E229 WeakPolarHBondContact O-CB 3.21Å; R226-E229 WeakPolarHBondContact O-CG 3.17Å; R226-E229 PolarHBondContact O-N 3.07Å; E229-A231 PolarHBondContact O-N 3.04Å; E229-V232 HydrophobicContact CB-CB 4.31Å; E229-V232 HydrophobicContact CB-CG2 3.96Å; E229-V232 PolarHBondContact O-N 3.18Å; E229-Q233 PolarHBondContact O-N 3.02Å
230K98.2Very high98.4Very high177 Ų17756.8 Ų56.877%0.7730%0.295SS*.Hα-helixtrans-57.7-36.5-175.7-69.9-178.5-179.6174.70112.4K234K230-K234 WeakPolarHBondContact O-CB 3.38Å; K230-K234 PolarHBondContact O-N 3.45Å
231A97.9Very high98.4Very high44 Ų4455.2 Ų55.236%0.36429%0.288SS..Hα-helixtrans-65.6-45.217800000111.4E187 E229 K234 F235E187-A231 HydrophobicContact CB-CB 4.39Å; E187-A231 HydrophobicContact CG-CB 3.88Å; E229-A231 PolarHBondContact O-N 3.04Å; A231-K234 PolarHBondContact O-N 3.38Å; A231-F235 WeakPolarHBondContact O-CB 3.35Å; A231-F235 PolarHBondContact O-N 3.24Å
232V98.6Very high98.4Very high0 Ų055.7 Ų55.70%029%0.292CS..Hα-helixtrans-64.7-45.1177.5-178.50000111.5V186 E187 R226 E229 K234 F235 T236 V244 L248V186-V232 HydrophobicContact CG1-CB 4.27Å; V186-V232 HydrophobicContact CG1-CG1 4.23Å; V186-V232 HydrophobicContact CG1-CG2 3.94Å; E187-V232 HydrophobicContact CG-CG2 3.73Å; R226-V232 HydrophobicContact CB-CG2 4.26Å; R226-V232 WeakPolarHBondContact O-CG2 3.21Å; E229-V232 HydrophobicContact CB-CB 4.31Å; E229-V232 HydrophobicContact CB-CG2 3.96Å; E229-V232 PolarHBondContact O-N 3.18Å; V232-K234 VanDerWaalsContact C-N 3.34Å; V232-K234 PolarHBondContact O-N 3.17Å; V232-F235 PolarHBondContact O-N 3.15Å; V232-T236 WeakPolarHBondContact O-CG2 3.49Å; V232-T236 PolarHBondContact O-N 3.11Å; V232-T236 PolarHBondContact O-OG1 3.04Å; V232-V244 HydrophobicContact CG1-CG1 3.69Å; V232-L248 HydrophobicContact CG1-CD1 3.71Å; V232-L248 HydrophobicContact CG1-CD2 4.2Å; V232-L248 HydrophobicContact CG1-CG 4.27Å
233Q98.7Very high98.4Very high23 Ų2359.3 Ų59.311%0.10731%0.309CS..Hα-helixtrans-62.7-40.1175.3-71.6-179-20.200112.1L227 E229 T236 G237 K238 M239 V244L227-Q233 WeakPolarHBondContact O-CG 3.28Å; E229-Q233 PolarHBondContact O-N 3.02Å; Q233-T236 PolarHBondContact O-N 2.98Å; Q233-T236 PolarHBondContact O-OG1 3.23Å; Q233-G237 WeakPolarHBondContact O-CA 3.49Å; Q233-G237 PolarHBondContact O-N 2.87Å; Q233-K238 VanDerWaalsContact CA-O 3.27Å; Q233-K238 WeakPolarHBondContact CA-O 3.23Å; Q233-K238 WeakPolarHBondContact CB-O 3.28Å; Q233-K238 WeakPolarHBondContact CG-O 3.5Å; Q233-K238 PolarHBondContact O-N 3.2Å; Q233-M239 HydrophobicContact CB-SD 4.04Å; Q233-M239 HydrophobicContact CG-SD 4.34Å; Q233-M239 PolarHBondContact NE2-O 2.84Å; Q233-M239 VanDerWaalsContact NE2-O 3.17Å; Q233-M239 PolarHBondContact OE1-SD 3.25Å; Q233-M239 VanDerWaalsContact OE1-SD 3.39Å; Q233-V244 HydrophobicContact CG-CG2 4.18Å
234K98.5Very high98.4Very high182 Ų18259.3 Ų59.379%0.79131%0.309SS*.Hα-helixtrans-64.7-43.3174.9-178.5-178177.1-174.20112K230 A231 V232 T236 G237K230-K234 WeakPolarHBondContact O-CB 3.38Å; K230-K234 PolarHBondContact O-N 3.45Å; A231-K234 PolarHBondContact O-N 3.38Å; V232-K234 VanDerWaalsContact C-N 3.34Å; V232-K234 PolarHBondContact O-N 3.17Å; K234-T236 VanDerWaalsContact C-N 3.33Å; K234-G237 PolarHBondContact O-N 2.96Å
235F98.6Very high98.4Very high69 Ų6959.3 Ų59.330%0.30331%0.308SS..Hα-helixtrans-60.6-43.9177.3176-94.6000111.5F182 L185 V186 A231 V232 L248 E251F182-F235 HydrophobicContact CE2-CZ 4.49Å; F182-F235 HydrophobicContact CZ-CE1 4.37Å; L185-F235 HydrophobicContact CD2-CE2 4.29Å; L185-F235 HydrophobicContact CD2-CZ 4.32Å; L185-F235 HydrophobicContact CG-CE2 3.9Å; L185-F235 HydrophobicContact CG-CZ 4.35Å; V186-F235 HydrophobicContact CB-CD1 4.33Å; V186-F235 HydrophobicContact CB-CG 4.28Å; V186-F235 HydrophobicContact CG1-CB 4.05Å; V186-F235 HydrophobicContact CG1-CD1 4.02Å; V186-F235 HydrophobicContact CG1-CG 4.02Å; V186-F235 HydrophobicContact CG2-CD1 3.86Å; V186-F235 HydrophobicContact CG2-CE1 3.79Å; V186-F235 HydrophobicContact CG2-CE2 4.45Å; V186-F235 HydrophobicContact CG2-CG 4.24Å; V186-F235 HydrophobicContact CG2-CZ 4.09Å; A231-F235 WeakPolarHBondContact O-CB 3.35Å; A231-F235 PolarHBondContact O-N 3.24Å; V232-F235 PolarHBondContact O-N 3.15Å; F235-L248 HydrophobicContact CD1-CD2 3.98Å; F235-L248 HydrophobicContact CE1-CD2 4.21Å; F235-E251 HydrophobicContact CE1-CB 4.22Å; F235-E251 HydrophobicContact CE1-CG 4.31Å; F235-E251 HydrophobicContact CZ-CB 4.44Å
236T98.5Very high98.4Very high14 Ų1462.3 Ų62.39%0.08632%0.318CS..Hα-helixtrans-82.1-20.9-178.657.30000114.3V232 Q233 K234 K238 V244 V247 L248V232-T236 WeakPolarHBondContact O-CG2 3.49Å; V232-T236 PolarHBondContact O-N 3.11Å; V232-T236 PolarHBondContact O-OG1 3.04Å; Q233-T236 PolarHBondContact O-N 2.98Å; Q233-T236 PolarHBondContact O-OG1 3.23Å; K234-T236 VanDerWaalsContact C-N 3.33Å; T236-K238 PolarHBondContact O-N 3.4Å; T236-K238 PolarHBondContact OG1-N 3.29Å; T236-V244 HydrophobicContact CG2-CG1 4Å; T236-V247 HydrophobicContact CG2-CB 4.01Å; T236-V247 HydrophobicContact CG2-CG1 3.87Å; T236-L248 HydrophobicContact CG2-CD2 3.77Å; T236-L248 HydrophobicContact CG2-CG 3.68Å
237G98.6Very high98.4Very high61 Ų6162.1 Ų62.163%0.62932%0.321SS*.THydrogen-bonded Turntrans67.521.4-170.500000113.4Q233 K234Q233-G237 WeakPolarHBondContact O-CA 3.49Å; Q233-G237 PolarHBondContact O-N 2.87Å; K234-G237 PolarHBondContact O-N 2.96Å
238K98.6Very high98.4Very high87 Ų8761.8 Ų61.838%0.37832%0.32SS..  trans-126.3153.9-177.8-58.8-61.2176.8-176.70110.3Q233 T236 E243 V244 V247Q233-K238 VanDerWaalsContact CA-O 3.27Å; Q233-K238 WeakPolarHBondContact CA-O 3.23Å; Q233-K238 WeakPolarHBondContact CB-O 3.28Å; Q233-K238 WeakPolarHBondContact CG-O 3.5Å; Q233-K238 PolarHBondContact O-N 3.2Å; T236-K238 PolarHBondContact O-N 3.4Å; T236-K238 PolarHBondContact OG1-N 3.29Å; K238-E243 HydrophobicContact CB-CB 4.02Å; K238-E243 HydrophobicContact CD-CB 4.15Å; K238-E243 HydrophobicContact CG-CB 4Å; K238-V244 HydrophobicContact CB-CG2 3.72Å; K238-V244 WeakPolarHBondContact O-CG2 3.48Å; K238-V247 HydrophobicContact CG-CG2 3.9Å
239M97.9Very high98.5Very high134 Ų13458.5 Ų58.566%0.6629%0.294SS*.  trans-117.8-31.9179.4-62.3-62.8-61.400112.5Q233Q233-M239 HydrophobicContact CB-SD 4.04Å; Q233-M239 HydrophobicContact CG-SD 4.34Å; Q233-M239 PolarHBondContact NE2-O 2.84Å; Q233-M239 VanDerWaalsContact NE2-O 3.17Å; Q233-M239 PolarHBondContact OE1-SD 3.25Å; Q233-M239 VanDerWaalsContact OE1-SD 3.39Å
240E98.3Very high98.5Very high88 Ų8860.4 Ų60.441%0.41130%0.301SS..SBendtrans-75.1126.3178-168.4-69.9130.700109V242 E243 V244E240-V242 VanDerWaalsContact C-N 3.35Å; E240-V242 VanDerWaalsContact CD-N 3.28Å; E240-V242 PolarHBondContact O-N 2.83Å; E240-V242 PolarHBondContact OE1-N 2.85Å; E240-V242 WeakPolarHBondContact OE2-CA 3.42Å; E240-V242 VanDerWaalsContact OE2-CB 3.26Å; E240-V242 WeakPolarHBondContact OE2-CB 3.47Å; E240-V242 PolarHBondContact OE2-N 3.1Å; E240-E243 HydrophobicContact CB-CB 4.44Å; E240-E243 HydrophobicContact CB-CG 4.33Å; E240-E243 WeakPolarHBondContact O-CB 3.37Å; E240-E243 PolarHBondContact O-N 3.42Å; E240-E243 VanDerWaalsContact O-N 3.15Å; E240-E243 PolarHBondContact OE2-N 2.89Å; E240-V244 WeakPolarHBondContact O-CG2 3.18Å; E240-V244 PolarHBondContact O-N 2.92Å
241P98Very high98.5Very high35 Ų3555.1 Ų55.123%0.22728%0.279CS..Hα-helixtrans-55.8-38.6-171.6-30.536.4000115.8L227 V244 M245L227-P241 HydrophobicContact CB-CB 4.25Å; L227-P241 HydrophobicContact CD1-CB 4.18Å; P241-V244 PolarHBondContact O-N 3.32Å; P241-M245 WeakPolarHBondContact O-CB 3.31Å; P241-M245 PolarHBondContact O-N 2.92Å
242V98.6Very high98.5Very high17 Ų1753.3 Ų53.310%0.10326%0.263CS..Hα-helixtrans-68-40.5178.4174.50000111.1A149 E150 H153 E240 M245 R246A149-V242 HydrophobicContact CB-CG1 4.04Å; E150-V242 HydrophobicContact CB-CG1 4.41Å; E150-V242 VanDerWaalsContact CD-CG1 3.4Å; E150-V242 HydrophobicContact CG-CG1 3.68Å; E150-V242 HydrophobicContact CG-CG2 4.47Å; E150-V242 WeakPolarHBondContact OE1-CG1 3.26Å; H153-V242 HydrophobicContact CB-CG2 4.22Å; H153-V242 WeakPolarHBondContact ND1-CG2 3.43Å; E240-V242 VanDerWaalsContact C-N 3.35Å; E240-V242 VanDerWaalsContact CD-N 3.28Å; E240-V242 PolarHBondContact O-N 2.83Å; E240-V242 PolarHBondContact OE1-N 2.85Å; E240-V242 WeakPolarHBondContact OE2-CA 3.42Å; E240-V242 VanDerWaalsContact OE2-CB 3.26Å; E240-V242 WeakPolarHBondContact OE2-CB 3.47Å; E240-V242 PolarHBondContact OE2-N 3.1Å; V242-M245 WeakPolarHBondContact O-CB 3.46Å; V242-M245 PolarHBondContact O-N 3.4Å; V242-R246 WeakPolarHBondContact O-CB 3.49Å; V242-R246 PolarHBondContact O-N 3.37Å
243E98.8Very high98.4Very high76 Ų7657.2 Ų57.236%0.35528%0.284SS..Hα-helixtrans-64-41172.4-67.9-58.7144.200111.8K238 E240 R246 V247K238-E243 HydrophobicContact CB-CB 4.02Å; K238-E243 HydrophobicContact CD-CB 4.15Å; K238-E243 HydrophobicContact CG-CB 4Å; E240-E243 HydrophobicContact CB-CB 4.44Å; E240-E243 HydrophobicContact CB-CG 4.33Å; E240-E243 WeakPolarHBondContact O-CB 3.37Å; E240-E243 PolarHBondContact O-N 3.42Å; E240-E243 VanDerWaalsContact O-N 3.15Å; E240-E243 PolarHBondContact OE2-N 2.89Å; E243-R246 PolarHBondContact O-N 2.98Å; E243-R246 IonicContact OE1-CZ 2.74Å; E243-R246 IonicContact OE1-NH1 3.46Å; E243-R246 PolarHBondContact OE1-NH1 3.48Å; E243-R246 IonicContact OE2-NH1 2.7Å; E243-R246 PolarHBondContact OE2-NH1 2.98Å; E243-V247 WeakPolarHBondContact O-CG2 3.47Å; E243-V247 PolarHBondContact O-N 3.42Å
244V98.8Very high98.2Very high0 Ų061.7 Ų61.70%030%0.303CS..Hα-helixtrans-59.8-49.7174.3175.80000110L227 V232 Q233 T236 K238 E240 P241 R246 V247 L248L227-V244 HydrophobicContact CB-CB 4.43Å; L227-V244 HydrophobicContact CB-CG1 4.12Å; L227-V244 HydrophobicContact CD2-CG1 3.91Å; V232-V244 HydrophobicContact CG1-CG1 3.69Å; Q233-V244 HydrophobicContact CG-CG2 4.18Å; T236-V244 HydrophobicContact CG2-CG1 4Å; K238-V244 HydrophobicContact CB-CG2 3.72Å; K238-V244 WeakPolarHBondContact O-CG2 3.48Å; E240-V244 WeakPolarHBondContact O-CG2 3.18Å; E240-V244 PolarHBondContact O-N 2.92Å; P241-V244 PolarHBondContact O-N 3.32Å; V244-R246 VanDerWaalsContact C-N 3.33Å; V244-R246 PolarHBondContact O-N 2.9Å; V244-V247 PolarHBondContact O-N 3.22Å; V244-L248 HydrophobicContact CG1-CD1 4.08Å; V244-L248 HydrophobicContact CG1-CG 4.33Å; V244-L248 WeakPolarHBondContact O-CB 3.27Å; V244-L248 WeakPolarHBondContact O-CG 3.32Å; V244-L248 PolarHBondContact O-N 3.44Å
245M98.8Very high98Very high0 Ų054.7 Ų54.70%027%0.273CS..Hα-helixtrans-54.4-48175.6175.865.878.400111.5F144 A149 M152 H153 L156 F224 L227 P241 V242 V247 L248 R249F144-M245 HydrophobicContact CE2-CG 4.15Å; F144-M245 HydrophobicContact CZ-CG 3.93Å; F144-M245 HydrophobicContact CZ-SD 3.8Å; A149-M245 HydrophobicContact CB-CB 4.4Å; A149-M245 HydrophobicContact CB-CG 4.03Å; M152-M245 HydrophobicContact CB-CE 4.44Å; M152-M245 HydrophobicContact CB-SD 4.29Å; M152-M245 HydrophobicContact CG-CE 4.03Å; M152-M245 HydrophobicContact CG-SD 3.98Å; H153-M245 HydrophobicContact CB-CE 4.19Å; H153-M245 HydrophobicContact CB-CG 4.42Å; L156-M245 HydrophobicContact CD1-CE 3.92Å; F224-M245 HydrophobicContact CB-CE 4.35Å; F224-M245 HydrophobicContact CB-SD 4.44Å; F224-M245 HydrophobicContact CD1-SD 3.59Å; F224-M245 VanDerWaalsContact CD1-SD 3.59Å; F224-M245 HydrophobicContact CE1-SD 4.35Å; F224-M245 HydrophobicContact CG-SD 4.47Å; L227-M245 HydrophobicContact CD1-CB 4.18Å; L227-M245 HydrophobicContact CD1-CE 3.82Å; L227-M245 HydrophobicContact CD2-CB 4.27Å; L227-M245 HydrophobicContact CD2-CE 4.27Å; P241-M245 WeakPolarHBondContact O-CB 3.31Å; P241-M245 PolarHBondContact O-N 2.92Å; V242-M245 WeakPolarHBondContact O-CB 3.46Å; V242-M245 PolarHBondContact O-N 3.4Å; M245-V247 PolarHBondContact O-N 2.95Å; M245-L248 PolarHBondContact O-N 3.06Å; M245-R249 WeakPolarHBondContact O-CB 3.48Å; M245-R249 PolarHBondContact O-N 3.49Å
246R98.8Very high97.4Very high84 Ų8460.1 Ų60.132%0.31730%0.296SS..Hα-helixtrans-60.9-45.2-179.7-171.4177.4-63.2108.4-0.1112.1A149 E150 V242 E243 V244 K250A149-R246 HydrophobicContact CB-CB 3.72Å; A149-R246 HydrophobicContact CB-CG 4.31Å; E150-R246 VanDerWaalsContact CD-NH2 3.29Å; E150-R246 IonicContact OE1-CZ 3.21Å; E150-R246 IonicContact OE1-NH2 3.75Å; E150-R246 PolarHBondContact OE1-NH2 3.4Å; E150-R246 IonicContact OE2-NH2 2.8Å; E150-R246 PolarHBondContact OE2-NH2 3.24Å; V242-R246 WeakPolarHBondContact O-CB 3.49Å; V242-R246 PolarHBondContact O-N 3.37Å; E243-R246 PolarHBondContact O-N 2.98Å; E243-R246 IonicContact OE1-CZ 2.74Å; E243-R246 IonicContact OE1-NH1 3.46Å; E243-R246 PolarHBondContact OE1-NH1 3.48Å; E243-R246 IonicContact OE2-NH1 2.7Å; E243-R246 PolarHBondContact OE2-NH1 2.98Å; V244-R246 VanDerWaalsContact C-N 3.33Å; V244-R246 PolarHBondContact O-N 2.9Å; R246-K250 WeakPolarHBondContact O-CB 3.38Å; R246-K250 PolarHBondContact O-N 2.68Å; R246-K250 VanDerWaalsContact O-N 3.15Å
247V98.8Very high96.1Very high33 Ų3364.1 Ų64.120%0.231%0.313CS..Hα-helixtrans-69.5-46179.4175.70000110.9T236 K238 E243 V244 M245 R249 K250 E251T236-V247 HydrophobicContact CG2-CB 4.01Å; T236-V247 HydrophobicContact CG2-CG1 3.87Å; K238-V247 HydrophobicContact CG-CG2 3.9Å; E243-V247 WeakPolarHBondContact O-CG2 3.47Å; E243-V247 PolarHBondContact O-N 3.42Å; V244-V247 PolarHBondContact O-N 3.22Å; M245-V247 PolarHBondContact O-N 2.95Å; V247-R249 VanDerWaalsContact C-N 3.31Å; V247-R249 PolarHBondContact O-N 3.43Å; V247-K250 PolarHBondContact O-N 3.1Å; V247-E251 HydrophobicContact CG1-CG 4.31Å; V247-E251 WeakPolarHBondContact O-CG 3.49Å; V247-E251 PolarHBondContact O-N 3.26Å
248L98.6Very high94.5Very high0 Ų064.7 Ų64.70%031%0.305CS..Hα-helixtrans-54.8-47.9176.3-78.9177.4000111.7F182 V186 P223 F224 L227 V232 F235 T236 V244 M245 K250 E251 M252F182-L248 HydrophobicContact CE1-CD2 4.3Å; F182-L248 HydrophobicContact CZ-CD2 4.34Å; F182-L248 WeakPolarHBondContact CZ-O 3.48Å; V186-L248 HydrophobicContact CG1-CD2 3.91Å; V186-L248 HydrophobicContact CG2-CD2 3.84Å; P223-L248 HydrophobicContact CB-CD1 4.23Å; P223-L248 HydrophobicContact CB-CD2 4.47Å; P223-L248 WeakPolarHBondContact O-CD1 3.35Å; F224-L248 HydrophobicContact CD1-CB 4.12Å; F224-L248 HydrophobicContact CD1-CD1 4.27Å; F224-L248 HydrophobicContact CE1-CB 3.63Å; F224-L248 HydrophobicContact CZ-CB 4.28Å; L227-L248 HydrophobicContact CD2-CD1 3.69Å; V232-L248 HydrophobicContact CG1-CD1 3.71Å; V232-L248 HydrophobicContact CG1-CD2 4.2Å; V232-L248 HydrophobicContact CG1-CG 4.27Å; F235-L248 HydrophobicContact CD1-CD2 3.98Å; F235-L248 HydrophobicContact CE1-CD2 4.21Å; T236-L248 HydrophobicContact CG2-CD2 3.77Å; T236-L248 HydrophobicContact CG2-CG 3.68Å; V244-L248 HydrophobicContact CG1-CD1 4.08Å; V244-L248 HydrophobicContact CG1-CG 4.33Å; V244-L248 WeakPolarHBondContact O-CB 3.27Å; V244-L248 WeakPolarHBondContact O-CG 3.32Å; V244-L248 PolarHBondContact O-N 3.44Å; M245-L248 PolarHBondContact O-N 3.06Å; L248-K250 PolarHBondContact O-N 2.89Å; L248-E251 PolarHBondContact O-N 3.1Å; L248-M252 WeakPolarHBondContact O-CB 3.49Å; L248-M252 PolarHBondContact O-N 3.24Å
249R98.5Very high92.4Very high16 Ų1670.3 Ų70.36%0.0633%0.329CS..Hα-helixtrans-60.3-47.3180-174.566.3-92.6168.7-13.1111.2C141 G142 F144 F224 M245 V247 E251 M252 D253C141-R249 PolarHBondContact O-NH1 3.4Å; C141-R249 PolarHBondContact SG-NH1 3.09Å; G142-R249 WeakPolarHBondContact O-CD 3.2Å; G142-R249 PolarHBondContact O-NH1 3.06Å; F144-R249 HydrophobicContact CD1-CG 3.98Å; F144-R249 HydrophobicContact CD2-CB 4.34Å; F144-R249 HydrophobicContact CD2-CG 3.82Å; F144-R249 HydrophobicContact CE1-CB 4.29Å; F144-R249 VanDerWaalsContact CE1-CD 3.42Å; F144-R249 HydrophobicContact CE1-CG 3.69Å; F144-R249 HydrophobicContact CE2-CB 3.65Å; F144-R249 HydrophobicContact CE2-CG 3.57Å; F144-R249 HydrophobicContact CG-CG 4.01Å; F144-R249 HydrophobicContact CZ-CB 3.62Å; F144-R249 HydrophobicContact CZ-CG 3.49Å; F144-R249 VanDerWaalsContact CZ-CG 3.49Å; F224-R249 HydrophobicContact CE1-CB 4.25Å; M245-R249 WeakPolarHBondContact O-CB 3.48Å; M245-R249 PolarHBondContact O-N 3.49Å; V247-R249 VanDerWaalsContact C-N 3.31Å; V247-R249 PolarHBondContact O-N 3.43Å; R249-E251 VanDerWaalsContact C-N 3.31Å; R249-E251 PolarHBondContact O-N 3.12Å; R249-M252 PolarHBondContact O-N 3.13Å; R249-D253 IonicContact CZ-OD1 3.67Å; R249-D253 VanDerWaalsContact CZ-OD1 3.26Å; R249-D253 IonicContact NE-OD1 2.71Å; R249-D253 PolarHBondContact NE-OD1 2.71Å; R249-D253 IonicContact NE-OD2 2.98Å; R249-D253 IonicContact NH2-OD1 2.68Å; R249-D253 PolarHBondContact NH2-OD1 3.44Å; R249-D253 PolarHBondContact O-N 3.46Å
250K98.4Very high90.6Very high128 Ų12868.7 Ų68.756%0.55732%0.32SS*.Hα-helixtrans-60.6-38.1177.9-175.4179.8-176.9-179.80112.7R246 V247 L248 K254R246-K250 WeakPolarHBondContact O-CB 3.38Å; R246-K250 PolarHBondContact O-N 2.68Å; R246-K250 VanDerWaalsContact O-N 3.15Å; V247-K250 PolarHBondContact O-N 3.1Å; L248-K250 PolarHBondContact O-N 2.89Å; K250-K254 WeakPolarHBondContact O-CG 3.49Å
251E98.4Very high88.5Confident66 Ų6675.8 Ų75.831%0.30834%0.343SS..Hα-helixtrans-74.1-39.3177-67.2-49.9124.400111.9F182 F235 V247 L248 R249 D253 K254 F255F182-E251 HydrophobicContact CE2-CB 4.05Å; F182-E251 HydrophobicContact CZ-CB 4.12Å; F235-E251 HydrophobicContact CE1-CB 4.22Å; F235-E251 HydrophobicContact CE1-CG 4.31Å; F235-E251 HydrophobicContact CZ-CB 4.44Å; V247-E251 HydrophobicContact CG1-CG 4.31Å; V247-E251 WeakPolarHBondContact O-CG 3.49Å; V247-E251 PolarHBondContact O-N 3.26Å; L248-E251 PolarHBondContact O-N 3.1Å; R249-E251 VanDerWaalsContact C-N 3.31Å; R249-E251 PolarHBondContact O-N 3.12Å; E251-D253 VanDerWaalsContact C-N 3.3Å; E251-D253 PolarHBondContact O-N 3.41Å; E251-K254 PolarHBondContact O-N 3.09Å; E251-K254 IonicContact OE1-NZ 3.66Å; E251-K254 PolarHBondContact OE1-NZ 3Å; E251-K254 IonicContact OE2-NZ 3.46Å; E251-F255 PolarHBondContact O-N 3.13Å
252M97.6Very high86.1Confident6 Ų678.2 Ų78.23%0.0335%0.354CS..Hα-helixtrans-62.9-35.7174-177.556.7173.400112.2K178 N179 F182 F224 L248 R249 K254 F255K178-M252 HydrophobicContact CD-CE 4.42Å; K178-M252 HydrophobicContact CG-CE 4.2Å; N179-M252 WeakPolarHBondContact OD1-CE 3.23Å; F182-M252 HydrophobicContact CB-CE 4.26Å; F182-M252 HydrophobicContact CB-SD 3.39Å; F182-M252 WeakPolarHBondContact CB-SD 2.93Å; F182-M252 HydrophobicContact CD1-CB 4.05Å; F182-M252 HydrophobicContact CD1-CG 4.18Å; F182-M252 HydrophobicContact CD1-SD 3.61Å; F182-M252 HydrophobicContact CD2-CB 4.29Å; F182-M252 HydrophobicContact CD2-SD 3.77Å; F182-M252 HydrophobicContact CE1-CB 3.75Å; F182-M252 HydrophobicContact CE1-CG 4.36Å; F182-M252 HydrophobicContact CE1-SD 4.31Å; F182-M252 HydrophobicContact CE2-CB 4.01Å; F182-M252 HydrophobicContact CE2-SD 4.45Å; F182-M252 HydrophobicContact CG-CB 4.31Å; F182-M252 HydrophobicContact CG-CG 4.33Å; F182-M252 HydrophobicContact CG-SD 3.29Å; F182-M252 WeakPolarHBondContact CG-SD 3.42Å; F182-M252 HydrophobicContact CZ-CB 3.73Å; F224-M252 HydrophobicContact CZ-CB 4.07Å; F224-M252 HydrophobicContact CZ-CG 4.37Å; L248-M252 WeakPolarHBondContact O-CB 3.49Å; L248-M252 PolarHBondContact O-N 3.24Å; R249-M252 PolarHBondContact O-N 3.13Å; M252-K254 VanDerWaalsContact C-N 3.27Å; M252-K254 PolarHBondContact O-N 3.31Å; M252-F255 WeakPolarHBondContact O-CB 3.46Å; M252-F255 PolarHBondContact O-N 3.29Å; M252-F255 VanDerWaalsContact O-N 3.13Å; M252-F255 HydrophobicContact SD-CB 4.28Å; M252-F255 HydrophobicContact SD-CD1 4.17Å
253D96.1Very high84Confident82 Ų8281.1 Ų81.144%0.43937%0.373SS..Hα-helixtrans-66.3-29.3178-67.5-11.7000112.8R143 R249 E251R143-D253 WeakPolarHBondContact CG-OD1 3.5Å; R249-D253 IonicContact CZ-OD1 3.67Å; R249-D253 VanDerWaalsContact CZ-OD1 3.26Å; R249-D253 IonicContact NE-OD1 2.71Å; R249-D253 PolarHBondContact NE-OD1 2.71Å; R249-D253 IonicContact NE-OD2 2.98Å; R249-D253 IonicContact NH2-OD1 2.68Å; R249-D253 PolarHBondContact NH2-OD1 3.44Å; R249-D253 PolarHBondContact O-N 3.46Å; E251-D253 VanDerWaalsContact C-N 3.3Å; E251-D253 PolarHBondContact O-N 3.41Å
254K95.4Very high82Confident117 Ų11782.3 Ų82.351%0.50939%0.387SS..Hα-helixtrans-86.4-17.4174.2-61.1169.2-166.6162.90112.6K250 E251 M252 K256K250-K254 WeakPolarHBondContact O-CG 3.49Å; E251-K254 PolarHBondContact O-N 3.09Å; E251-K254 IonicContact OE1-NZ 3.66Å; E251-K254 PolarHBondContact OE1-NZ 3Å; E251-K254 IonicContact OE2-NZ 3.46Å; M252-K254 VanDerWaalsContact C-N 3.27Å; M252-K254 PolarHBondContact O-N 3.31Å; K254-K256 PolarHBondContact O-N 3.04Å; K254-K256 VanDerWaalsContact O-N 3.15Å
255F94.3Very high80.3Confident36 Ų3690 Ų9016%0.15842%0.423CS..  trans-69.1112-173.7-176.8-109.8000110.9K181 F182 L185 E251 M252 P258K181-F255 HydrophobicContact CB-CE1 4.09Å; K181-F255 HydrophobicContact CB-CZ 4.04Å; F182-F255 HydrophobicContact CB-CD1 3.81Å; F182-F255 HydrophobicContact CB-CE1 3.89Å; F182-F255 HydrophobicContact CB-CG 4.33Å; F182-F255 HydrophobicContact CB-CZ 4.47Å; F182-F255 HydrophobicContact CD2-CB 3.89Å; F182-F255 HydrophobicContact CD2-CD1 4.17Å; F182-F255 HydrophobicContact CD2-CD2 4.14Å; F182-F255 AromaticContact CD2-CG 3.81Å; F182-F255 HydrophobicContact CD2-CG 3.81Å; F182-F255 HydrophobicContact CE2-CB 4.43Å; F182-F255 HydrophobicContact CG-CD1 4.44Å; L185-F255 HydrophobicContact CD2-CD2 4.11Å; L185-F255 HydrophobicContact CD2-CE2 4.09Å; E251-F255 PolarHBondContact O-N 3.13Å; M252-F255 WeakPolarHBondContact O-CB 3.46Å; M252-F255 PolarHBondContact O-N 3.29Å; M252-F255 VanDerWaalsContact O-N 3.13Å; M252-F255 HydrophobicContact SD-CB 4.28Å; M252-F255 HydrophobicContact SD-CD1 4.17Å; F255-P258 HydrophobicContact CZ-CG 4.23Å
256K85.5Confident78.4Confident182 Ų18291 Ų9179%0.79143%0.431SS*.PPolyproline II helixtrans-90.1130.5170.9-64.6-175.4179.6-178.20108.5K254 P258K254-K256 PolarHBondContact O-N 3.04Å; K254-K256 VanDerWaalsContact O-N 3.15Å; K256-P258 VanDerWaalsContact O-CD 3.28Å; K256-P258 WeakPolarHBondContact O-CD 3.34Å; K256-P258 VanDerWaalsContact O-N 3.08Å
257K71Confident76.5Confident99 Ų9991.3 Ų91.343%0.4344%0.438SS..PPolyproline II helixtrans-50.9119.1173.3-172.1179.1178.7-179.40107.5K181 K259 E260K181-K257 HydrophobicContact CD-CG 4.32Å; K257-K259 PolarHBondContact O-N 2.94Å; K257-E260 WeakPolarHBondContact CE-OE1 3.49Å; K257-E260 IonicContact NZ-OE1 3.98Å
258P64.8Low74.9Confident72 Ų7293.6 Ų93.647%0.46845%0.448SS..PPolyproline II helixtrans-55.9133.8173.8-2331.5000108.7F255 K256 E260F255-P258 HydrophobicContact CZ-CG 4.23Å; K256-P258 VanDerWaalsContact O-CD 3.28Å; K256-P258 WeakPolarHBondContact O-CD 3.34Å; K256-P258 VanDerWaalsContact O-N 3.08Å; P258-E260 PolarHBondContact O-N 3.19Å; P258-E260 VanDerWaalsContact O-N 3.13Å
259K56.1Low73.3Confident206 Ų20694.6 Ų94.690%0.89646%0.456SS*.PPolyproline II helixtrans-54.1123172.3-73.2-173178.2-176.40107.6K257 R261K257-K259 PolarHBondContact O-N 2.94Å; K259-R261 PolarHBondContact O-N 3.17Å
260E59.5Low71.8Confident100 Ų10096.8 Ų96.847%0.46747%0.469SS..PPolyproline II helixtrans-64133.5175.7-80.9167-173.500108.9K181 K257 P258 L262K181-E260 IonicContact NZ-OE1 2.84Å; K181-E260 PolarHBondContact NZ-OE1 2.64Å; K257-E260 WeakPolarHBondContact CE-OE1 3.49Å; K257-E260 IonicContact NZ-OE1 3.98Å; P258-E260 PolarHBondContact O-N 3.19Å; P258-E260 VanDerWaalsContact O-N 3.13Å; E260-L262 PolarHBondContact O-N 3.34Å
261R53.1Low70.3Confident237 Ų23797.8 Ų97.889%0.89448%0.476SS*.PPolyproline II helixtrans-65.6126161.5-77-175.3176.9-175.2-0.7105.7K259K259-R261 PolarHBondContact O-N 3.17Å
262L47.4Very low69.1Low86 Ų86104 Ų10445%0.4550%0.496SS..PPolyproline II helixtrans-48.3140173.5-76.5159.6000109.3E260 A266 M267 L270E260-L262 PolarHBondContact O-N 3.34Å; L262-A266 HydrophobicContact CB-CB 4.17Å; L262-A266 HydrophobicContact CD2-CB 3.97Å; L262-M267 HydrophobicContact CB-CG 3.65Å; L262-L270 HydrophobicContact CD1-CD1 3.44Å; L262-L270 VanDerWaalsContact CD1-CD1 3.44Å
263P55.8Low67.5Low78 Ų78106.6 Ų106.651%0.50653%0.525SS..PPolyproline II helixtrans-52.4148.6172.5-3.41.3000109.9Q265 A266 M267P263-Q265 PolarHBondContact O-N 2.86Å; P263-A266 HydrophobicContact CG-CB 4.05Å; P263-A266 WeakPolarHBondContact O-CA 3.45Å; P263-A266 PolarHBondContact O-N 2.67Å; P263-M267 PolarHBondContact O-N 3.03Å
264P57Low66.1Low100 Ų100108.8 Ų108.865%0.64954%0.536SS*.Hα-helixtrans-51.4-35.4-177.9-28.134.5000113.4M267 L268P264-M267 PolarHBondContact O-N 3.34Å; P264-L268 WeakPolarHBondContact O-CB 3.48Å; P264-L268 WeakPolarHBondContact O-CD1 3.46Å; P264-L268 WeakPolarHBondContact O-CG 3.46Å; P264-L268 PolarHBondContact O-N 2.69Å
265Q61.7Low64Low162 Ų162107.6 Ų107.676%0.75753%0.534SS*.Hα-helixtrans-66.8-41.1176.1-64.3175.7-7.500112.7P263 L268 A269P263-Q265 PolarHBondContact O-N 2.86Å; Q265-L268 PolarHBondContact O-N 2.79Å; Q265-A269 WeakPolarHBondContact O-CB 3.35Å; Q265-A269 PolarHBondContact O-N 3.36Å
266A59.4Low62Low20 Ų20112.3 Ų112.317%0.16556%0.559CS.*Hα-helixtrans-72.3-32.6175.700000111.9L262 P263 A269 L270L262-A266 HydrophobicContact CB-CB 4.17Å; L262-A266 HydrophobicContact CD2-CB 3.97Å; P263-A266 HydrophobicContact CG-CB 4.05Å; P263-A266 WeakPolarHBondContact O-CA 3.45Å; P263-A266 PolarHBondContact O-N 2.67Å; A266-A269 PolarHBondContact O-N 3.31Å; A266-L270 PolarHBondContact O-N 3.22Å
267M59Low60.3Low92 Ų92105.3 Ų105.345%0.45353%0.533SS..Hα-helixtrans-64.1-43.3169.4-76.1-172.451.800112.1L262 P263 P264 L270 Q271L262-M267 HydrophobicContact CB-CG 3.65Å; P263-M267 PolarHBondContact O-N 3.03Å; P264-M267 PolarHBondContact O-N 3.34Å; M267-L270 PolarHBondContact O-N 3.38Å; M267-Q271 WeakPolarHBondContact O-CB 3.47Å; M267-Q271 PolarHBondContact O-N 3.46Å
268L64.7Low59.5Low81 Ų81105.2 Ų105.242%0.42454%0.544SS..Hα-helixtrans-63.4-43.1174.6-85.2156.5000111.3P264 Q265 L270 Q271 W272P264-L268 WeakPolarHBondContact O-CB 3.48Å; P264-L268 WeakPolarHBondContact O-CD1 3.46Å; P264-L268 WeakPolarHBondContact O-CG 3.46Å; P264-L268 PolarHBondContact O-N 2.69Å; Q265-L268 PolarHBondContact O-N 2.79Å; L268-L270 VanDerWaalsContact C-N 3.35Å; L268-L270 PolarHBondContact O-N 3.32Å; L268-Q271 PolarHBondContact O-N 3.38Å; L268-W272 WeakPolarHBondContact O-CB 3.39Å; L268-W272 PolarHBondContact O-N 3.48Å
269A65.9Low58.6Low20 Ų20110 Ų11017%0.16556%0.56CS.*Hα-helixtrans-62.7-38.5175.800000112.5Q265 A266 W272 G273 L274 L275Q265-A269 WeakPolarHBondContact O-CB 3.35Å; Q265-A269 PolarHBondContact O-N 3.36Å; A266-A269 PolarHBondContact O-N 3.31Å; A269-W272 PolarHBondContact O-N 2.9Å; A269-G273 PolarHBondContact O-N 3.43Å; A269-L274 HydrophobicContact CB-CB 4.18Å; A269-L274 WeakPolarHBondContact O-CB 3.44Å; A269-L274 PolarHBondContact O-N 2.87Å; A269-L275 HydrophobicContact CB-CD1 3.75Å; A269-L275 HydrophobicContact CB-CG 4.14Å; A269-L275 PolarHBondContact O-N 3.02Å
270L66.4Low58.1Low63 Ų63104.7 Ų104.733%0.3354%0.542SS..Hα-helixtrans-67.7-41.9171.1-104133000112.4L262 A266 M267 L268 W272 G273 L275L262-L270 HydrophobicContact CD1-CD1 3.44Å; L262-L270 VanDerWaalsContact CD1-CD1 3.44Å; A266-L270 PolarHBondContact O-N 3.22Å; M267-L270 PolarHBondContact O-N 3.38Å; L268-L270 VanDerWaalsContact C-N 3.35Å; L268-L270 PolarHBondContact O-N 3.32Å; L270-W272 PolarHBondContact O-N 2.81Å; L270-G273 PolarHBondContact O-N 2.97Å; L270-L275 HydrophobicContact CD1-CB 4.38Å; L270-L275 HydrophobicContact CG-CB 4.07Å
271Q68.1Low57.5Low149 Ų149108.6 Ų108.670%0.69655%0.552SS**Hα-helixtrans-63.6-30.4175.3-83.9-176.3-26.100112.8M267 L268M267-Q271 WeakPolarHBondContact O-CB 3.47Å; M267-Q271 PolarHBondContact O-N 3.46Å; L268-Q271 PolarHBondContact O-N 3.38Å
272W71.9Confident57Low195 Ų195104.4 Ų104.474%0.73955%0.547SS*.THydrogen-bonded Turntrans-93.55.2179.2-69.813.4000113.2L268 A269 L270 L274L268-W272 WeakPolarHBondContact O-CB 3.39Å; L268-W272 PolarHBondContact O-N 3.48Å; A269-W272 PolarHBondContact O-N 2.9Å; L270-W272 PolarHBondContact O-N 2.81Å; W272-L274 HydrophobicContact CB-CD1 4.24Å; W272-L274 HydrophobicContact CB-CG 4.4Å; W272-L274 HydrophobicContact CE3-CD1 4.44Å; W272-L274 PolarHBondContact O-N 3.38Å
273G64.9Low56.3Low61 Ų61105.5 Ų105.563%0.62956%0.562SS**THydrogen-bonded Turntrans70.515.6177.700000115A269 L270 L275A269-G273 PolarHBondContact O-N 3.43Å; L270-G273 PolarHBondContact O-N 2.97Å; G273-L275 VanDerWaalsContact C-N 3.33Å
274L65.8Low55.8Low129 Ų129107.3 Ų107.368%0.67557%0.574SS**SBendtrans-81-15.5176.9-66.4166.8000112.5A269 W272A269-L274 HydrophobicContact CB-CB 4.18Å; A269-L274 WeakPolarHBondContact O-CB 3.44Å; A269-L274 PolarHBondContact O-N 2.87Å; W272-L274 HydrophobicContact CB-CD1 4.24Å; W272-L274 HydrophobicContact CB-CG 4.4Å; W272-L274 HydrophobicContact CE3-CD1 4.44Å; W272-L274 PolarHBondContact O-N 3.38Å
275L52Low54.9Low91 Ų91108.5 Ų108.548%0.47658%0.579SS.*SBendtrans-132128.5173.2-72.2169.1000109.4A269 L270 G273A269-L275 HydrophobicContact CB-CD1 3.75Å; A269-L275 HydrophobicContact CB-CG 4.14Å; A269-L275 PolarHBondContact O-N 3.02Å; L270-L275 HydrophobicContact CD1-CB 4.38Å; L270-L275 HydrophobicContact CG-CB 4.07Å; G273-L275 VanDerWaalsContact C-N 3.33Å
276M51.5Low54.1Low136 Ų136107.5 Ų107.567%0.6758%0.577SS**  trans-83.6140.9174.5-61.6-166.693.200110.9D280M276-D280 HydrophobicContact CE-CB 3.99Å
277S50.1Low53.2Low35 Ų35115.8 Ų115.825%0.24561%0.609CS.*  trans-69.3153.5175.783.30000110.3Q279 D280S277-Q279 PolarHBondContact O-N 3.47Å; S277-Q279 PolarHBondContact OG-N 3.17Å; S277-D280 WeakPolarHBondContact CB-OD2 3.41Å; S277-D280 PolarHBondContact N-OD2 2.87Å; S277-D280 PolarHBondContact O-N 3.21Å; S277-D280 PolarHBondContact OG-OD2 2.85Å
278S53.6Low52.6Low97 Ų97118.4 Ų118.468%0.67863%0.625SS**THydrogen-bonded Turntrans-63.1-12.9177.453.70000113.8
279Q46.6Very low51.4Low172 Ų172117.9 Ų117.980%0.80464%0.64SS**THydrogen-bonded Turntrans-81.2-20.1174.2-74.8-178.7-36.900113.2S277 R281S277-Q279 PolarHBondContact O-N 3.47Å; S277-Q279 PolarHBondContact OG-N 3.17Å; Q279-R281 VanDerWaalsContact C-N 3.33Å; Q279-R281 PolarHBondContact O-N 2.88Å
280D46.3Very low50.2Low94 Ų94128.9 Ų128.950%0.50370%0.696SS.*THydrogen-bonded Turntrans-86.1-4.5-178.3-58.2-49.9000113.4M276 S277 L282M276-D280 HydrophobicContact CE-CB 3.99Å; S277-D280 WeakPolarHBondContact CB-OD2 3.41Å; S277-D280 PolarHBondContact N-OD2 2.87Å; S277-D280 PolarHBondContact O-N 3.21Å; S277-D280 PolarHBondContact OG-OD2 2.85Å; D280-L282 VanDerWaalsContact C-N 3.3Å; D280-L282 PolarHBondContact O-N 2.89Å
281R46.3Very low49.4Very low183 Ų183132.2 Ų132.269%0.69171%0.714SS**THydrogen-bonded Turntrans-84.66.5179.8-83.2-168.7-78.9-117.10.9114.9Q279Q279-R281 VanDerWaalsContact C-N 3.33Å; Q279-R281 PolarHBondContact O-N 2.88Å
282L41.7Very low48.4Very low148 Ų148131.3 Ų131.378%0.77572%0.715SS**  trans-122.282.5175.3-73.9167.4000110.9D280D280-L282 VanDerWaalsContact C-N 3.3Å; D280-L282 PolarHBondContact O-N 2.89Å
283S34.1Very low47.1Very low109 Ų109127.8 Ų127.876%0.76271%0.714SS**  trans-15791.6159.2-66.30000110.6
284P44.3Very low46.1Very low117 Ų117131.7 Ų131.776%0.7672%0.719SS**  trans-96.5106.9156.431.7-19.3000107.8
285V39.2Very low44.9Very low125 Ų125131.9 Ų131.976%0.75872%0.721SS**  trans-123.795.2158.5-178.30000107.8
286I44.4Very low44.4Very low141 Ų141134.6 Ų134.672%0.72374%0.738SS**  trans-49.5129.3152.7-62.2167.1000107.6
287K40.3Very low43.9Very low193 Ų193134.5 Ų134.584%0.83974%0.743SS**  trans-118.9112.9152.9-85.8-170.4174.4-1750107.5
288D46.2Very low43.4Very low147 Ų147142.2 Ų142.279%0.78678%0.781SS**  trans-44.5140.4155.1-55.9-54.8000108.9
289G40.8Very low42.5Very low71 Ų71145.9 Ų145.973%0.73279%0.789SS**  98.49762.800000108
290D40.5Very low42.2Very low251 Ų251143.5 Ų143.5100%1.34279%0.788SS**  trans-128.50154.7-91.3-23.2000106.8

Retrieved 290 of 290 residues in 73.7 ms (Link to these results)

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