A0A077ZID3_TRITR Loading...

RsmJ domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZID3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 280 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
1M58.2Low84Confident224 Ų22460.5 Ų60.5100%1.10330%0.304SS*.  0123.50-119.1178.6-94.500105.2
2L72.4Confident85.1Confident88 Ų8855.9 Ų55.946%0.46128%0.281SS..  trans-96.7100.2177.2-63.1167000106.1L119 H120L2-L119 HydrophobicContact CD1-CB 3.76Å; L2-H120 HydrophobicContact CD1-CB 4.46Å
3S80.8Confident86.1Confident87 Ų8753.5 Ų53.561%0.60827%0.269SS*.  trans-103.5-24.1-178.677.60000112.5R5 E168S3-R5 PolarHBondContact O-N 3.25Å; S3-E168 WeakPolarHBondContact CB-OE1 3.13Å; S3-E168 PolarHBondContact N-OE1 3.27Å; S3-E168 PolarHBondContact N-OE2 3.4Å; S3-E168 VanDerWaalsContact N-OE2 3.13Å; S3-E168 PolarHBondContact OG-OE1 3.44Å
4Y85Confident87Confident68 Ų6849.8 Ų49.827%0.26725%0.25SS..  trans-61.6129177.1-176.1-90000111.4H6 H9 P166 E168Y4-H6 HydrophobicContact CE1-CB 3.91Å; Y4-H6 AromaticContact CE1-ND1 3.95Å; Y4-H6 PolarHBondContact OH-ND1 2.8Å; Y4-H9 AromaticContact CE2-CD2 3.7Å; Y4-H9 AromaticContact CZ-CD2 3.84Å; Y4-H9 PolarHBondContact OH-CD2 2.92Å; Y4-P166 HydrophobicContact CD1-CB 3.53Å; Y4-P166 HydrophobicContact CD2-CB 4.13Å; Y4-P166 HydrophobicContact CE1-CB 4.02Å; Y4-P166 HydrophobicContact CG-CB 3.58Å; Y4-E168 WeakPolarHBondContact CB-OE2 3.19Å; Y4-E168 PolarHBondContact N-OE2 3.12Å
5R84.1Confident87.8Confident54 Ų5446.7 Ų46.720%0.20423%0.234CC..  trans-124.1119.6170.3-61.4-61.4-66.4-83.5-2.7108.9S3 S7 F8 H120 D123S3-R5 PolarHBondContact O-N 3.25Å; R5-S7 PolarHBondContact O-N 3.05Å; R5-S7 VanDerWaalsContact O-N 3.09Å; R5-F8 HydrophobicContact CB-CD2 3.94Å; R5-F8 HydrophobicContact CB-CE2 3.98Å; R5-F8 WeakPolarHBondContact O-CD2 3.39Å; R5-F8 PolarHBondContact O-N 3.26Å; R5-H120 WeakPolarHBondContact CD-CE1 3.32Å; R5-H120 WeakPolarHBondContact CD-NE2 3.37Å; R5-H120 PolarHBondContact NE-CE1 2.77Å; R5-H120 PolarHBondContact NH1-CE1 3.43Å; R5-D123 IonicContact CZ-OD1 3.28Å; R5-D123 IonicContact CZ-OD2 2.93Å; R5-D123 IonicContact NE-OD1 3.46Å; R5-D123 PolarHBondContact NE-OD1 3.37Å; R5-D123 IonicContact NE-OD2 2.96Å; R5-D123 PolarHBondContact NE-OD2 3.39Å; R5-D123 IonicContact NH2-OD1 2.86Å; R5-D123 PolarHBondContact NH2-OD1 3.04Å; R5-D123 IonicContact NH2-OD2 2.97Å
6H86.1Confident88.5Confident24 Ų2443.8 Ų43.811%0.11122%0.22CC..G310 helixtrans-64.5-19-177.6-164.576.7000113.3Y4 F8 H9 A10 D15 Y48Y4-H6 HydrophobicContact CE1-CB 3.91Å; Y4-H6 AromaticContact CE1-ND1 3.95Å; Y4-H6 PolarHBondContact OH-ND1 2.8Å; H6-F8 PolarHBondContact O-N 3.26Å; H6-F8 VanDerWaalsContact O-N 3.09Å; H6-H9 PolarHBondContact O-N 2.98Å; H6-A10 PolarHBondContact O-N 2.85Å; H6-D15 IonicContact CE1-OD1 3.49Å; H6-D15 PolarHBondContact CE1-OD1 3.13Å; H6-D15 VanDerWaalsContact CE1-OD1 3.28Å; H6-D15 IonicContact CE1-OD2 2.95Å; H6-D15 IonicContact NE2-OD1 3.63Å; H6-D15 PolarHBondContact NE2-OD1 2.68Å; H6-D15 IonicContact NE2-OD2 2.91Å; H6-D15 PolarHBondContact NE2-OD2 2.97Å; H6-D15 VanDerWaalsContact NE2-OD2 3.09Å; H6-Y48 HydrophobicContact CB-CE1 3.9Å; H6-Y48 AromaticContact CD2-CE2 3.42Å; H6-Y48 VanDerWaalsContact CD2-CE2 3.42Å; H6-Y48 WeakPolarHBondContact CD2-CE2 3.44Å; H6-Y48 AromaticContact CD2-CZ 3.36Å; H6-Y48 PolarHBondContact CD2-OH 3.18Å; H6-Y48 AromaticContact CG-CZ 3.96Å
7S84.2Confident89.1Confident14 Ų1441.2 Ų41.210%0.09821%0.207CC..G310 helixtrans-57.7-22.6175.658.10000114.9R5 H9 H54R5-S7 PolarHBondContact O-N 3.05Å; R5-S7 VanDerWaalsContact O-N 3.09Å; S7-H9 VanDerWaalsContact C-N 3.28Å; S7-H54 PolarHBondContact OG-ND1 3.41Å
8F87.1Confident89.6Confident50 Ų5039 Ų3922%0.21920%0.196CC..G310 helixtrans-72.9-21.1175.1-71.7-75.3000113.2R5 H6 H54 T58R5-F8 HydrophobicContact CB-CD2 3.94Å; R5-F8 HydrophobicContact CB-CE2 3.98Å; R5-F8 WeakPolarHBondContact O-CD2 3.39Å; R5-F8 PolarHBondContact O-N 3.26Å; H6-F8 PolarHBondContact O-N 3.26Å; H6-F8 VanDerWaalsContact O-N 3.09Å; F8-H54 HydrophobicContact CD1-CB 3.82Å; F8-H54 VanDerWaalsContact CD1-O 3.31Å; F8-H54 WeakPolarHBondContact CD1-O 3.48Å; F8-H54 HydrophobicContact CE1-CB 3.71Å; F8-H54 AromaticContact CE1-CD2 3.67Å; F8-H54 AromaticContact CE1-CG 3.8Å; F8-H54 HydrophobicContact CE2-CB 4.43Å; F8-H54 HydrophobicContact CG-CB 4.24Å; F8-H54 HydrophobicContact CZ-CB 4.03Å; F8-H54 AromaticContact CZ-CD2 3.37Å; F8-H54 WeakPolarHBondContact CZ-CD2 3.45Å; F8-H54 AromaticContact CZ-CG 3.62Å; F8-H54 AromaticContact CZ-NE2 3.82Å; F8-T58 HydrophobicContact CB-CG2 4.31Å; F8-T58 HydrophobicContact CD1-CG2 4.22Å; F8-T58 WeakPolarHBondContact O-CB 3.31Å; F8-T58 PolarHBondContact O-OG1 3.21Å
9H92.9Very high90.1Very high52 Ų5237 Ų3724%0.24119%0.186CC..THydrogen-bonded Turntrans-123.8-4.4-170-55.7-63.1000112.8Y4 H6 S7 G11 N12 E60Y4-H9 AromaticContact CE2-CD2 3.7Å; Y4-H9 AromaticContact CZ-CD2 3.84Å; Y4-H9 PolarHBondContact OH-CD2 2.92Å; H6-H9 PolarHBondContact O-N 2.98Å; S7-H9 VanDerWaalsContact C-N 3.28Å; H9-G11 PolarHBondContact O-N 2.85Å; H9-N12 VanDerWaalsContact O-CB 3.23Å; H9-N12 WeakPolarHBondContact O-CB 3.41Å; H9-N12 PolarHBondContact O-N 2.89Å; H9-N12 PolarHBondContact O-ND2 3.07Å; H9-E60 WeakPolarHBondContact CA-OE2 3.31Å; H9-E60 IonicContact CE1-OE1 2.97Å; H9-E60 PolarHBondContact CE1-OE1 3Å; H9-E60 IonicContact CG-OE2 3.36Å; H9-E60 VanDerWaalsContact ND1-CD 3.3Å; H9-E60 IonicContact ND1-OE1 2.63Å; H9-E60 PolarHBondContact ND1-OE1 2.74Å; H9-E60 IonicContact ND1-OE2 3.46Å; H9-E60 PolarHBondContact ND1-OE2 2.93Å
10A95.6Very high90.6Very high4 Ų435.2 Ų35.23%0.03318%0.177CC..THydrogen-bonded Turntrans-55.5123.3-172.900000111.9H6 D15 Y48 L50 Y61 Y97H6-A10 PolarHBondContact O-N 2.85Å; A10-D15 WeakPolarHBondContact CA-OD2 3.15Å; A10-Y48 HydrophobicContact CB-CD1 4.35Å; A10-Y48 HydrophobicContact CB-CD2 3.63Å; A10-Y48 HydrophobicContact CB-CE2 4.49Å; A10-Y48 HydrophobicContact CB-CG 3.55Å; A10-L50 HydrophobicContact CB-CD2 4.46Å; A10-L50 WeakPolarHBondContact O-CD2 3.37Å; A10-Y61 WeakPolarHBondContact O-CB 3.32Å; A10-Y97 HydrophobicContact CB-CD1 4.16Å
11G97.6Very high91Very high0 Ų033.5 Ų33.50%017%0.168CC..THydrogen-bonded Turntrans80.111.1179.300000115.1H9 D15 G64 I65H9-G11 PolarHBondContact O-N 2.85Å; G11-D15 PolarHBondContact N-OD2 3.32Å; G11-G64 CarbonylContact O-C 3.59Å; G11-G64 WeakPolarHBondContact O-CA 3.44Å; G11-I65 WeakPolarHBondContact O-CG2 3.33Å; G11-I65 PolarHBondContact O-N 2.77Å
12N97.6Very high92.9Very high6 Ų622.8 Ų22.83%0.03212%0.116CC..SBendtrans-66.8-178.117175.36.6000112.5H9 A14 D15 V16 E60H9-N12 VanDerWaalsContact O-CB 3.23Å; H9-N12 WeakPolarHBondContact O-CB 3.41Å; H9-N12 PolarHBondContact O-N 2.89Å; H9-N12 PolarHBondContact O-ND2 3.07Å; N12-A14 PolarHBondContact O-N 3.37Å; N12-A14 WeakPolarHBondContact OD1-CA 3.23Å; N12-A14 WeakPolarHBondContact OD1-CB 3.42Å; N12-A14 PolarHBondContact OD1-N 2.89Å; N12-D15 PolarHBondContact O-N 2.95Å; N12-D15 PolarHBondContact OD1-N 2.96Å; N12-V16 WeakPolarHBondContact O-CG2 3.43Å; N12-V16 PolarHBondContact O-N 3.05Å; N12-E60 HydrophobicContact CB-CB 3.62Å; N12-E60 WeakPolarHBondContact CB-OE2 3.33Å; N12-E60 PolarHBondContact ND2-OE2 3.41Å
13H98.3Very high94.2Very high25 Ų2518.6 Ų18.612%0.1169%0.094CC..Hα-helixtrans-59.3-31.6179.973.784.4000113.4V16 L17 V226 L264H13-V16 PolarHBondContact O-N 3.12Å; H13-L17 PolarHBondContact O-N 3.16Å; H13-L17 VanDerWaalsContact O-N 3.13Å; H13-V226 HydrophobicContact CB-CG1 4.04Å; H13-L264 HydrophobicContact CB-CD1 4.3Å
14A98.4Very high95Very high1 Ų114.9 Ų14.91%0.0087%0.067CC..Hα-helixtrans-72.2-42.8-179.200000111.3N12 V16 L17 K18 W195 M235 S238N12-A14 PolarHBondContact O-N 3.37Å; N12-A14 WeakPolarHBondContact OD1-CA 3.23Å; N12-A14 WeakPolarHBondContact OD1-CB 3.42Å; N12-A14 PolarHBondContact OD1-N 2.89Å; A14-V16 VanDerWaalsContact C-N 3.33Å; A14-L17 PolarHBondContact O-N 3.15Å; A14-K18 VanDerWaalsContact O-CB 3.3Å; A14-K18 WeakPolarHBondContact O-CB 3.42Å; A14-K18 PolarHBondContact O-N 2.83Å; A14-W195 HydrophobicContact CB-CZ2 3.98Å; A14-M235 HydrophobicContact CB-CE 3.74Å; A14-S238 VanDerWaalsContact CA-OG 3.28Å; A14-S238 WeakPolarHBondContact CA-OG 3.5Å; A14-S238 VanDerWaalsContact CB-OG 3.23Å; A14-S238 WeakPolarHBondContact CB-OG 3.34Å
15D98.6Very high95.7Very high3 Ų311.6 Ų11.62%0.0165%0.054CC..Hα-helixtrans-61.9-40.9172.1-95.44.8000111.9H6 A10 G11 N12 L17 K18 H19 Y97H6-D15 IonicContact CE1-OD1 3.49Å; H6-D15 PolarHBondContact CE1-OD1 3.13Å; H6-D15 VanDerWaalsContact CE1-OD1 3.28Å; H6-D15 IonicContact CE1-OD2 2.95Å; H6-D15 IonicContact NE2-OD1 3.63Å; H6-D15 PolarHBondContact NE2-OD1 2.68Å; H6-D15 IonicContact NE2-OD2 2.91Å; H6-D15 PolarHBondContact NE2-OD2 2.97Å; H6-D15 VanDerWaalsContact NE2-OD2 3.09Å; A10-D15 WeakPolarHBondContact CA-OD2 3.15Å; G11-D15 PolarHBondContact N-OD2 3.32Å; N12-D15 PolarHBondContact O-N 2.95Å; N12-D15 PolarHBondContact OD1-N 2.96Å; D15-L17 PolarHBondContact O-N 3.04Å; D15-K18 PolarHBondContact O-N 3.08Å; D15-K18 WeakPolarHBondContact OD1-CE 3.4Å; D15-K18 IonicContact OD1-NZ 3.82Å; D15-K18 PolarHBondContact OD1-NZ 2.7Å; D15-H19 WeakPolarHBondContact O-CB 3.34Å; D15-H19 VanDerWaalsContact O-CG 3.28Å; D15-H19 PolarHBondContact O-N 3.09Å; D15-H19 PolarHBondContact O-ND1 3.2Å; D15-H19 IonicContact OD1-CE1 2.78Å; D15-H19 IonicContact OD2-CE1 2.73Å; D15-Y97 HydrophobicContact CB-CE1 3.99Å; D15-Y97 VanDerWaalsContact OD2-CE1 3.22Å; D15-Y97 WeakPolarHBondContact OD2-CE1 3.3Å
16V98.8Very high96.4Very high0 Ų09 Ų90%04%0.044CC..Hα-helixtrans-57.5-48.1174.5168.40000111.4N12 H13 A14 T20 I65 I68 L260 L264N12-V16 WeakPolarHBondContact O-CG2 3.43Å; N12-V16 PolarHBondContact O-N 3.05Å; H13-V16 PolarHBondContact O-N 3.12Å; A14-V16 VanDerWaalsContact C-N 3.33Å; V16-T20 VanDerWaalsContact O-CB 3.23Å; V16-T20 WeakPolarHBondContact O-CB 3.21Å; V16-T20 PolarHBondContact O-N 2.87Å; V16-T20 PolarHBondContact O-OG1 3.42Å; V16-I65 HydrophobicContact CG2-CB 4.2Å; V16-I68 HydrophobicContact CB-CD1 4.41Å; V16-I68 HydrophobicContact CG1-CD1 3.5Å; V16-I68 VanDerWaalsContact CG1-CD1 3.5Å; V16-I68 HydrophobicContact CG2-CD1 3.99Å; V16-L260 HydrophobicContact CG1-CD2 3.76Å; V16-L264 HydrophobicContact CB-CD1 4.37Å; V16-L264 HydrophobicContact CG1-CD1 3.91Å; V16-L264 HydrophobicContact CG1-CD2 4.38Å; V16-L264 HydrophobicContact CG2-CD2 4.39Å
17L98.9Very high97Very high0 Ų010.9 Ų10.90%05%0.053CC..Hα-helixtrans-63.7-51.6177.8177.864.5000111.4H13 A14 D15 H19 T20 V21 I222 L224 S238 M240 M253 L257H13-L17 PolarHBondContact O-N 3.16Å; H13-L17 VanDerWaalsContact O-N 3.13Å; A14-L17 PolarHBondContact O-N 3.15Å; D15-L17 PolarHBondContact O-N 3.04Å; L17-H19 PolarHBondContact O-N 2.88Å; L17-T20 PolarHBondContact O-N 2.78Å; L17-V21 HydrophobicContact CD1-CG2 4.32Å; L17-V21 WeakPolarHBondContact O-CG2 3.16Å; L17-V21 PolarHBondContact O-N 2.78Å; L17-I222 HydrophobicContact CD1-CG2 3.93Å; L17-L224 HydrophobicContact CD2-CB 3.91Å; L17-S238 WeakPolarHBondContact CD2-O 3.4Å; L17-M240 HydrophobicContact CG-CG 4.43Å; L17-M253 HydrophobicContact CD1-CE 3.86Å; L17-L257 HydrophobicContact CD1-CD2 3.93Å
18K98.9Very high97.7Very high2 Ų211 Ų111%0.0095%0.054CC..Hα-helixtrans-56.1-50.8-177.4177.5174.761.2-168.10111.6A14 D15 V21 Q22 D164 W195 M240A14-K18 VanDerWaalsContact O-CB 3.3Å; A14-K18 WeakPolarHBondContact O-CB 3.42Å; A14-K18 PolarHBondContact O-N 2.83Å; D15-K18 PolarHBondContact O-N 3.08Å; D15-K18 WeakPolarHBondContact OD1-CE 3.4Å; D15-K18 IonicContact OD1-NZ 3.82Å; D15-K18 PolarHBondContact OD1-NZ 2.7Å; K18-V21 PolarHBondContact O-N 3.48Å; K18-Q22 WeakPolarHBondContact O-CB 3.24Å; K18-Q22 PolarHBondContact O-N 2.8Å; K18-D164 HydrophobicContact CD-CB 4.38Å; K18-D164 VanDerWaalsContact CD-OD2 3.3Å; K18-D164 WeakPolarHBondContact CD-OD2 3.32Å; K18-D164 WeakPolarHBondContact CE-OD2 3.41Å; K18-D164 IonicContact NZ-OD1 3.94Å; K18-D164 PolarHBondContact NZ-OD1 2.83Å; K18-D164 IonicContact NZ-OD2 3.25Å; K18-D164 PolarHBondContact NZ-OD2 2.62Å; K18-W195 HydrophobicContact CD-CB 3.92Å; K18-W195 HydrophobicContact CD-CG 3.86Å; K18-W195 HydrophobicContact CG-CB 4.38Å; K18-W195 HydrophobicContact CG-CG 4.44Å; K18-M240 HydrophobicContact CB-SD 3.97Å; K18-M240 HydrophobicContact CG-CE 4.37Å; K18-M240 HydrophobicContact CG-SD 3.86Å
19H98.9Very high98.2Very high1 Ų19.5 Ų9.51%0.0055%0.048CC..Hα-helixtrans-76-27.3-175.8-66.2144.7000113.2D15 L17 Q22 S23 Y81 Y97 S100 I103D15-H19 WeakPolarHBondContact O-CB 3.34Å; D15-H19 VanDerWaalsContact O-CG 3.28Å; D15-H19 PolarHBondContact O-N 3.09Å; D15-H19 PolarHBondContact O-ND1 3.2Å; D15-H19 IonicContact OD1-CE1 2.78Å; D15-H19 IonicContact OD2-CE1 2.73Å; L17-H19 PolarHBondContact O-N 2.88Å; H19-Q22 PolarHBondContact CD2-OE1 2.91Å; H19-Q22 VanDerWaalsContact CD2-OE1 3.31Å; H19-S23 WeakPolarHBondContact O-CB 3.46Å; H19-S23 PolarHBondContact O-N 3.03Å; H19-S23 PolarHBondContact O-OG 3.34Å; H19-Y81 HydrophobicContact CB-CD2 4.02Å; H19-Y81 HydrophobicContact CB-CE1 4.48Å; H19-Y81 HydrophobicContact CB-CE2 3.64Å; H19-Y97 AromaticContact CE1-CE1 3.68Å; H19-Y97 AromaticContact ND1-CE1 3.6Å; H19-Y97 AromaticContact ND1-CZ 3.53Å; H19-Y97 PolarHBondContact ND1-OH 2.87Å; H19-S100 PolarHBondContact NE2-N 3.44Å; H19-S100 VanDerWaalsContact NE2-N 3.19Å; H19-I103 HydrophobicContact CB-CD1 3.39Å
20T98.9Very high98.5Very high0 Ų09.5 Ų9.50%05%0.047CC..Hα-helixtrans-59.8-55.9166.8-64.80000110.2V16 L17 Q22 S23 L24 L78 M253 L260V16-T20 VanDerWaalsContact O-CB 3.23Å; V16-T20 WeakPolarHBondContact O-CB 3.21Å; V16-T20 PolarHBondContact O-N 2.87Å; V16-T20 PolarHBondContact O-OG1 3.42Å; L17-T20 PolarHBondContact O-N 2.78Å; T20-Q22 VanDerWaalsContact C-N 3.34Å; T20-Q22 PolarHBondContact O-N 2.89Å; T20-S23 PolarHBondContact O-N 2.73Å; T20-S23 VanDerWaalsContact O-N 3.17Å; T20-S23 PolarHBondContact O-OG 2.78Å; T20-L24 HydrophobicContact CG2-CD1 4.04Å; T20-L24 WeakPolarHBondContact O-CG 3.49Å; T20-L24 PolarHBondContact O-N 2.63Å; T20-L78 HydrophobicContact CG2-CD2 3.35Å; T20-M253 HydrophobicContact CG2-CE 4.36Å; T20-M253 HydrophobicContact CG2-SD 4.36Å; T20-L260 HydrophobicContact CG2-CD1 4.47Å
21V98.9Very high98.7Very high0 Ų014.4 Ų14.40%07%0.069CC..Hα-helixtrans-59.9-44.5-179.7172.80000111.1L17 K18 S23 L24 I25 I222 M240 V242 L249 M253L17-V21 HydrophobicContact CD1-CG2 4.32Å; L17-V21 WeakPolarHBondContact O-CG2 3.16Å; L17-V21 PolarHBondContact O-N 2.78Å; K18-V21 PolarHBondContact O-N 3.48Å; V21-S23 PolarHBondContact O-N 3.49Å; V21-L24 PolarHBondContact O-N 3.46Å; V21-I25 HydrophobicContact CG1-CD1 3.75Å; V21-I25 HydrophobicContact CG1-CG1 4.45Å; V21-I25 VanDerWaalsContact O-CG1 3.28Å; V21-I25 WeakPolarHBondContact O-CG1 3.28Å; V21-I25 PolarHBondContact O-N 3.44Å; V21-I222 HydrophobicContact CG1-CD1 4.16Å; V21-I222 HydrophobicContact CG2-CD1 3.92Å; V21-I222 HydrophobicContact CG2-CG2 4.43Å; V21-M240 HydrophobicContact CB-CB 4.45Å; V21-M240 HydrophobicContact CB-CG 4.05Å; V21-M240 HydrophobicContact CG1-CB 4.17Å; V21-M240 HydrophobicContact CG1-CE 4.29Å; V21-M240 HydrophobicContact CG1-CG 4.22Å; V21-M240 HydrophobicContact CG2-CB 4.24Å; V21-M240 HydrophobicContact CG2-CG 4Å; V21-V242 HydrophobicContact CG1-CG2 3.91Å; V21-L249 HydrophobicContact CG1-CD1 4.47Å; V21-L249 HydrophobicContact CG1-CD2 4.39Å; V21-M253 HydrophobicContact CG2-CE 3.89Å; V21-M253 HydrophobicContact CG2-SD 3.87Å
22Q98.9Very high98.7Very high0 Ų021 Ų210%010%0.098CC..Hα-helixtrans-55.3-49.7175.4-173.7-159.14.300111.5K18 H19 T20 L24 I25 I26 Y38 S100 L160K18-Q22 WeakPolarHBondContact O-CB 3.24Å; K18-Q22 PolarHBondContact O-N 2.8Å; H19-Q22 PolarHBondContact CD2-OE1 2.91Å; H19-Q22 VanDerWaalsContact CD2-OE1 3.31Å; T20-Q22 VanDerWaalsContact C-N 3.34Å; T20-Q22 PolarHBondContact O-N 2.89Å; Q22-L24 PolarHBondContact O-N 3.21Å; Q22-I25 PolarHBondContact O-N 3.22Å; Q22-I26 HydrophobicContact CG-CD1 4.01Å; Q22-I26 WeakPolarHBondContact O-CG1 3.32Å; Q22-I26 PolarHBondContact O-N 3Å; Q22-Y38 HydrophobicContact CG-CE2 4.26Å; Q22-Y38 VanDerWaalsContact NE2-CE2 3.34Å; Q22-Y38 PolarHBondContact NE2-OH 3.01Å; Q22-S100 PolarHBondContact NE2-O 2.94Å; Q22-L160 HydrophobicContact CG-CD2 4.11Å
23S98.9Very high98.7Very high0 Ų027.4 Ų27.40%013%0.133CC..Hα-helixtrans-62.7-43.3-178.473.40000112.1H19 T20 V21 I25 I26 E27H19-S23 WeakPolarHBondContact O-CB 3.46Å; H19-S23 PolarHBondContact O-N 3.03Å; H19-S23 PolarHBondContact O-OG 3.34Å; T20-S23 PolarHBondContact O-N 2.73Å; T20-S23 VanDerWaalsContact O-N 3.17Å; T20-S23 PolarHBondContact O-OG 2.78Å; V21-S23 PolarHBondContact O-N 3.49Å; S23-I25 VanDerWaalsContact C-N 3.35Å; S23-I25 PolarHBondContact O-N 3.16Å; S23-I26 PolarHBondContact O-N 3.36Å; S23-E27 WeakPolarHBondContact O-CG 3.5Å; S23-E27 PolarHBondContact O-N 3.46Å
24L98.9Very high98.7Very high8 Ų833.7 Ų33.74%0.04216%0.159CC..Hα-helixtrans-62.6-41.3178.3-70.6173.9000112.1T20 V21 Q22 E27 S28 E77 L249 Q252 M253T20-L24 HydrophobicContact CG2-CD1 4.04Å; T20-L24 WeakPolarHBondContact O-CG 3.49Å; T20-L24 PolarHBondContact O-N 2.63Å; V21-L24 PolarHBondContact O-N 3.46Å; Q22-L24 PolarHBondContact O-N 3.21Å; L24-E27 PolarHBondContact O-N 3.21Å; L24-S28 PolarHBondContact O-N 3.23Å; L24-E77 HydrophobicContact CD2-CB 4.1Å; L24-E77 VanDerWaalsContact CD2-O 3.32Å; L24-E77 WeakPolarHBondContact CD2-O 3.32Å; L24-L249 HydrophobicContact CB-CD1 3.88Å; L24-L249 HydrophobicContact CD1-CD1 4.09Å; L24-Q252 HydrophobicContact CD1-CB 4.09Å; L24-M253 HydrophobicContact CD1-SD 3.65Å
25I98.9Very high98.7Very high0 Ų036 Ų360%018%0.175CC..Hα-helixtrans-64.8-43.4176.1-64.2165.5000110.7V21 Q22 S23 S28 L29 L160 T191 A193 V242 P246 L249V21-I25 HydrophobicContact CG1-CD1 3.75Å; V21-I25 HydrophobicContact CG1-CG1 4.45Å; V21-I25 VanDerWaalsContact O-CG1 3.28Å; V21-I25 WeakPolarHBondContact O-CG1 3.28Å; V21-I25 PolarHBondContact O-N 3.44Å; Q22-I25 PolarHBondContact O-N 3.22Å; S23-I25 VanDerWaalsContact C-N 3.35Å; S23-I25 PolarHBondContact O-N 3.16Å; I25-S28 PolarHBondContact O-N 3.4Å; I25-L29 HydrophobicContact CG2-CD1 4.08Å; I25-L29 HydrophobicContact CG2-CG 4.42Å; I25-L29 WeakPolarHBondContact O-CG 3.46Å; I25-L29 PolarHBondContact O-N 3.45Å; I25-L160 HydrophobicContact CB-CD2 4.17Å; I25-L160 HydrophobicContact CD1-CD1 4.18Å; I25-L160 HydrophobicContact CG2-CB 4.25Å; I25-L160 HydrophobicContact CG2-CD1 3.86Å; I25-L160 HydrophobicContact CG2-CD2 3.95Å; I25-L160 HydrophobicContact CG2-CG 4.23Å; I25-T191 HydrophobicContact CD1-CG2 4.14Å; I25-T191 HydrophobicContact CG2-CG2 3.82Å; I25-A193 HydrophobicContact CD1-CB 4.12Å; I25-V242 HydrophobicContact CD1-CG1 3.91Å; I25-V242 HydrophobicContact CD1-CG2 4.29Å; I25-P246 HydrophobicContact CB-CG 4.37Å; I25-P246 HydrophobicContact CG1-CG 4.2Å; I25-P246 HydrophobicContact CG2-CG 4.04Å; I25-L249 HydrophobicContact CD1-CD2 4.18Å; I25-L249 HydrophobicContact CG1-CD1 4.34Å; I25-L249 HydrophobicContact CG1-CD2 4Å
26I98.9Very high98.7Very high0 Ų035.9 Ų35.90%017%0.174CC..Hα-helixtrans-60.9-46.8176.9-71.5170.5000110.9Q22 S23 S28 L29 K30 F36 Y38 A104 L107 L108 L160Q22-I26 HydrophobicContact CG-CD1 4.01Å; Q22-I26 WeakPolarHBondContact O-CG1 3.32Å; Q22-I26 PolarHBondContact O-N 3Å; S23-I26 PolarHBondContact O-N 3.36Å; I26-S28 VanDerWaalsContact C-N 3.33Å; I26-S28 PolarHBondContact O-N 3.08Å; I26-L29 PolarHBondContact O-N 3.34Å; I26-L29 VanDerWaalsContact O-N 3.15Å; I26-K30 HydrophobicContact CG2-CD 3.88Å; I26-K30 HydrophobicContact CG2-CG 4.49Å; I26-K30 WeakPolarHBondContact O-CG 3.32Å; I26-K30 PolarHBondContact O-N 2.82Å; I26-F36 HydrophobicContact CG2-CZ 4.24Å; I26-Y38 HydrophobicContact CD1-CD2 4.37Å; I26-A104 HydrophobicContact CD1-CB 4.17Å; I26-L107 HydrophobicContact CD1-CD1 4.48Å; I26-L107 HydrophobicContact CG2-CB 3.64Å; I26-L107 HydrophobicContact CG2-CD1 4.32Å; I26-L108 HydrophobicContact CD1-CD1 4.02Å; I26-L108 HydrophobicContact CG1-CD1 4.24Å; I26-L108 HydrophobicContact CG2-CD1 3.86Å; I26-L160 HydrophobicContact CD1-CD2 4.3Å; I26-L160 HydrophobicContact CG1-CD2 3.76Å
27E98.8Very high98.7Very high62 Ų6236 Ų3629%0.2917%0.174SC..Hα-helixtrans-59.2-43177.7-70-50.1111.300111.7S23 L24 L29 K30 E31 A80S23-E27 WeakPolarHBondContact O-CG 3.5Å; S23-E27 PolarHBondContact O-N 3.46Å; L24-E27 PolarHBondContact O-N 3.21Å; E27-L29 PolarHBondContact O-N 3.12Å; E27-K30 WeakPolarHBondContact O-CB 3.36Å; E27-K30 PolarHBondContact O-N 2.87Å; E27-K30 VanDerWaalsContact O-N 3.16Å; E27-K30 WeakPolarHBondContact OE1-CD 3.32Å; E27-K30 IonicContact OE1-NZ 2.78Å; E27-K30 PolarHBondContact OE1-NZ 2.83Å; E27-K30 IonicContact OE2-NZ 3.44Å; E27-K30 PolarHBondContact OE2-NZ 3.46Å; E27-E31 PolarHBondContact O-N 2.93Å; E27-A80 HydrophobicContact CG-CB 3.88Å
28S98.8Very high98.8Very high18 Ų1836 Ų3613%0.12617%0.174CC..Hα-helixtrans-66.6-36.6176-1720000112.8L24 I25 I26 K30 E31 P246L24-S28 PolarHBondContact O-N 3.23Å; I25-S28 PolarHBondContact O-N 3.4Å; I26-S28 VanDerWaalsContact C-N 3.33Å; I26-S28 PolarHBondContact O-N 3.08Å; S28-K30 PolarHBondContact O-N 3.15Å; S28-E31 WeakPolarHBondContact O-CB 3.3Å; S28-E31 PolarHBondContact O-N 3.07Å; S28-P246 VanDerWaalsContact OG-CB 3.28Å; S28-P246 WeakPolarHBondContact OG-CB 3.33Å
29L98.8Very high98.8Very high17 Ų1736 Ų369%0.08918%0.175CC..Hα-helixtrans-65.5-28.8174.4-72.4172.4000112.2I25 I26 E27 E31 F36 R158 L160I25-L29 HydrophobicContact CG2-CD1 4.08Å; I25-L29 HydrophobicContact CG2-CG 4.42Å; I25-L29 WeakPolarHBondContact O-CG 3.46Å; I25-L29 PolarHBondContact O-N 3.45Å; I26-L29 PolarHBondContact O-N 3.34Å; I26-L29 VanDerWaalsContact O-N 3.15Å; E27-L29 PolarHBondContact O-N 3.12Å; L29-E31 VanDerWaalsContact C-N 3.28Å; L29-E31 PolarHBondContact O-N 3.27Å; L29-F36 HydrophobicContact CB-CD1 3.88Å; L29-F36 HydrophobicContact CB-CD2 4.22Å; L29-F36 HydrophobicContact CB-CE1 3.81Å; L29-F36 HydrophobicContact CB-CE2 4.14Å; L29-F36 HydrophobicContact CB-CG 4.09Å; L29-F36 HydrophobicContact CB-CZ 3.95Å; L29-F36 HydrophobicContact CD1-CD2 3.79Å; L29-F36 HydrophobicContact CD1-CE2 3.97Å; L29-F36 HydrophobicContact CD1-CG 4.26Å; L29-R158 VanDerWaalsContact O-CZ 3.3Å; L29-R158 PolarHBondContact O-NH1 3.41Å; L29-R158 PolarHBondContact O-NH2 2.9Å; L29-L160 HydrophobicContact CD1-CB 3.75Å
30K98.7Very high98.8Very high53 Ų5336 Ų3623%0.2317%0.174CC..Hα-helixtrans-73-16.7176.5-69.2160.264.4-155.50113.7I26 E27 S28 K32 F36 L107 R109I26-K30 HydrophobicContact CG2-CD 3.88Å; I26-K30 HydrophobicContact CG2-CG 4.49Å; I26-K30 WeakPolarHBondContact O-CG 3.32Å; I26-K30 PolarHBondContact O-N 2.82Å; E27-K30 WeakPolarHBondContact O-CB 3.36Å; E27-K30 PolarHBondContact O-N 2.87Å; E27-K30 VanDerWaalsContact O-N 3.16Å; E27-K30 WeakPolarHBondContact OE1-CD 3.32Å; E27-K30 IonicContact OE1-NZ 2.78Å; E27-K30 PolarHBondContact OE1-NZ 2.83Å; E27-K30 IonicContact OE2-NZ 3.44Å; E27-K30 PolarHBondContact OE2-NZ 3.46Å; S28-K30 PolarHBondContact O-N 3.15Å; K30-K32 PolarHBondContact O-N 2.95Å; K30-F36 HydrophobicContact CG-CE1 3.96Å; K30-F36 HydrophobicContact CG-CZ 4.21Å; K30-L107 WeakPolarHBondContact CD-O 3.48Å; K30-L107 VanDerWaalsContact CE-O 3.28Å; K30-L107 WeakPolarHBondContact CE-O 3.43Å; K30-R109 HydrophobicContact CG-CG 4.36Å; K30-R109 PolarHBondContact O-NH1 3.45Å
31E98.5Very high98.7Very high106 Ų10636 Ų3650%0.49518%0.175SC..THydrogen-bonded Turntrans-61.1-16.9176.9-64.9-179165.900113.4E27 S28 L29 K248E27-E31 PolarHBondContact O-N 2.93Å; S28-E31 WeakPolarHBondContact O-CB 3.3Å; S28-E31 PolarHBondContact O-N 3.07Å; L29-E31 VanDerWaalsContact C-N 3.28Å; L29-E31 PolarHBondContact O-N 3.27Å; E31-K248 IonicContact OE1-NZ 3.7Å; E31-K248 PolarHBondContact OE1-NZ 3.18Å
32K98Very high98.7Very high140 Ų14037.5 Ų37.561%0.60918%0.182SC*.SBendtrans-110.4133.1171.4-61-179.3-177.9179.90110.1K30 K34 R109 R158K30-K32 PolarHBondContact O-N 2.95Å; K32-K34 PolarHBondContact O-N 3.36Å; K32-R109 PolarHBondContact O-NH1 3.42Å; K32-R109 PolarHBondContact O-NH2 3.22Å; K32-R158 PolarHBondContact O-NH1 3.13Å
33D98.2Very high98.7Very high140 Ų14037.6 Ų37.675%0.74918%0.182SC*.SBendtrans-63.3-26.6-178.1-64.8-33.9000114.3Q111D33-Q111 PolarHBondContact O-NE2 3.41Å
34K98.3Very high98.6Very high156 Ų15638 Ų3868%0.67819%0.186SC*.SBendtrans-56.6140.2177.2-70.4-172.4177.7-176.60110.5K32 R109 R158K32-K34 PolarHBondContact O-N 3.36Å; K34-R109 PolarHBondContact O-NH2 3.18Å; K34-R109 VanDerWaalsContact O-NH2 3.13Å; K34-R158 PolarHBondContact O-NH1 3.04Å
35P98.7Very high98.5Very high51 Ų5137.8 Ų37.833%0.33119%0.186SC..  trans-66.2160.6-178.729.7-37000111.9Q111 D112 S156P35-Q111 HydrophobicContact CB-CB 4.26Å; P35-Q111 HydrophobicContact CB-CG 3.99Å; P35-Q111 WeakPolarHBondContact CB-O 3.38Å; P35-D112 WeakPolarHBondContact CA-OD1 3.37Å; P35-S156 WeakPolarHBondContact O-CB 3.34Å
36F98.9Very high98.5Very high0 Ų037.8 Ų37.80%019%0.186CC..  trans-137.6160169.865.7-88.3000112.2I26 L29 K30 L108 D112 S113 R158I26-F36 HydrophobicContact CG2-CZ 4.24Å; L29-F36 HydrophobicContact CB-CD1 3.88Å; L29-F36 HydrophobicContact CB-CD2 4.22Å; L29-F36 HydrophobicContact CB-CE1 3.81Å; L29-F36 HydrophobicContact CB-CE2 4.14Å; L29-F36 HydrophobicContact CB-CG 4.09Å; L29-F36 HydrophobicContact CB-CZ 3.95Å; L29-F36 HydrophobicContact CD1-CD2 3.79Å; L29-F36 HydrophobicContact CD1-CE2 3.97Å; L29-F36 HydrophobicContact CD1-CG 4.26Å; K30-F36 HydrophobicContact CG-CE1 3.96Å; K30-F36 HydrophobicContact CG-CZ 4.21Å; F36-L108 HydrophobicContact CE2-CD1 3.85Å; F36-L108 HydrophobicContact CE2-CD2 4.5Å; F36-L108 HydrophobicContact CE2-CG 4.02Å; F36-L108 HydrophobicContact CZ-CD1 3.9Å; F36-L108 HydrophobicContact CZ-CG 3.96Å; F36-D112 WeakPolarHBondContact CD1-OD1 3.43Å; F36-D112 HydrophobicContact CE1-CB 4.43Å; F36-D112 VanDerWaalsContact CE1-CG 3.45Å; F36-D112 WeakPolarHBondContact CE1-OD1 3.41Å; F36-D112 VanDerWaalsContact CE1-OD2 3.31Å; F36-D112 WeakPolarHBondContact CE1-OD2 3.16Å; F36-D112 PolarHBondContact N-OD1 3.48Å; F36-S113 PolarHBondContact O-N 3.13Å; F36-S113 VanDerWaalsContact O-N 3.08Å; F36-R158 WeakPolarHBondContact CA-O 3.49Å; F36-R158 HydrophobicContact CB-CB 3.56Å
37L98.9Very high98.4Very high2 Ų241.7 Ų41.71%0.0120%0.201CC..EExtended strand (participates in β ladder)trans-91.5133.1171.9173.264.6000109.7L39 Q115 L152 P154 R158 G159 L160L37-L39 HydrophobicContact CD2-CB 4.08Å; L37-L39 HydrophobicContact CD2-CD1 4.2Å; L37-L39 HydrophobicContact CG-CB 4.21Å; L37-Q115 HydrophobicContact CD1-CB 4.09Å; L37-Q115 HydrophobicContact CD1-CG 3.79Å; L37-L152 HydrophobicContact CD2-CD2 4.44Å; L37-P154 HydrophobicContact CB-CB 3.69Å; L37-P154 HydrophobicContact CB-CG 4.2Å; L37-P154 HydrophobicContact CD2-CB 3.76Å; L37-P154 HydrophobicContact CD2-CG 4.43Å; L37-P154 HydrophobicContact CG-CB 4.36Å; L37-R158 PolarHBondContact N-O 3.22Å; L37-G159 CarbonylContact O-C 3.52Å; L37-G159 WeakPolarHBondContact O-CA 3.35Å; L37-L160 PolarHBondContact O-N 3.45Å
38Y99Very high98.3Very high0 Ų039.4 Ų39.40%019%0.189CC..EExtended strand (participates in β ladder)trans-98.8113.6157.2176.7-101.6000108.8Q22 I26 D40 S100 A104 S113 L114 Q115 L116 L160 L162Q22-Y38 HydrophobicContact CG-CE2 4.26Å; Q22-Y38 VanDerWaalsContact NE2-CE2 3.34Å; Q22-Y38 PolarHBondContact NE2-OH 3.01Å; I26-Y38 HydrophobicContact CD1-CD2 4.37Å; Y38-D40 HydrophobicContact CD1-CB 4.47Å; Y38-D40 HydrophobicContact CE1-CB 3.62Å; Y38-D40 PolarHBondContact OH-OD2 3.29Å; Y38-S100 WeakPolarHBondContact OH-CB 3.43Å; Y38-A104 HydrophobicContact CD1-CB 3.32Å; Y38-A104 HydrophobicContact CD2-CB 3.98Å; Y38-A104 HydrophobicContact CE1-CB 3.36Å; Y38-A104 HydrophobicContact CE2-CB 4.03Å; Y38-A104 HydrophobicContact CG-CB 3.65Å; Y38-S113 PolarHBondContact N-O 3.39Å; Y38-L114 HydrophobicContact CD1-CD2 4.1Å; Y38-L114 HydrophobicContact CD1-CG 4.39Å; Y38-L114 CarbonylContact O-C 3.29Å; Y38-L114 WeakPolarHBondContact O-CA 3.46Å; Y38-Q115 PolarHBondContact O-N 3.13Å; Y38-L116 HydrophobicContact CD1-CD2 4.03Å; Y38-L116 HydrophobicContact CE1-CD2 3.81Å; Y38-L160 WeakPolarHBondContact CA-O 3.46Å; Y38-L160 HydrophobicContact CD2-CB 4.3Å; Y38-L160 HydrophobicContact CD2-CD2 3.92Å; Y38-L160 HydrophobicContact CD2-CG 4.06Å; Y38-L160 HydrophobicContact CE2-CD2 3.93Å; Y38-L160 HydrophobicContact CE2-CG 4.21Å; Y38-L162 HydrophobicContact CE2-CB 4.28Å; Y38-L162 VanDerWaalsContact OH-CD2 3.23Å; Y38-L162 WeakPolarHBondContact OH-CD2 3.47Å
39L98.9Very high98.2Very high2 Ų243.4 Ų43.41%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-108.6121.3176.3-174.8141000109.3L37 T41 Q115 Q147 L148 K151 L152 L160 I161 L162L37-L39 HydrophobicContact CD2-CB 4.08Å; L37-L39 HydrophobicContact CD2-CD1 4.2Å; L37-L39 HydrophobicContact CG-CB 4.21Å; L39-T41 HydrophobicContact CD2-CG2 3.51Å; L39-Q115 CarbonylContact C-O 3.59Å; L39-Q115 WeakPolarHBondContact CA-O 3.43Å; L39-Q147 HydrophobicContact CD1-CB 4.3Å; L39-L148 HydrophobicContact CD2-CD2 4.12Å; L39-K151 HydrophobicContact CD1-CB 3.5Å; L39-K151 HydrophobicContact CD1-CG 4.15Å; L39-L152 HydrophobicContact CD1-CD2 4.34Å; L39-L160 PolarHBondContact N-O 3.36Å; L39-I161 HydrophobicContact CB-CG1 4.21Å; L39-I161 HydrophobicContact CD2-CG2 3.78Å; L39-I161 CarbonylContact O-C 3.57Å; L39-I161 WeakPolarHBondContact O-CA 3.4Å; L39-L162 PolarHBondContact O-N 2.84Å
40D98.9Very high97.9Very high0 Ų042.6 Ų42.60%020%0.202CC..EExtended strand (participates in β ladder)trans-116.1106.5179-158.3-32.5000109.3Y38 H42 A43 S100 Q115 L116 T117Y38-D40 HydrophobicContact CD1-CB 4.47Å; Y38-D40 HydrophobicContact CE1-CB 3.62Å; Y38-D40 PolarHBondContact OH-OD2 3.29Å; D40-H42 VanDerWaalsContact C-N 3.34Å; D40-H42 PolarHBondContact OD1-N 2.91Å; D40-A43 HydrophobicContact CB-CB 4.16Å; D40-A43 WeakPolarHBondContact OD1-CA 3.4Å; D40-S100 WeakPolarHBondContact OD2-CB 3.45Å; D40-S100 PolarHBondContact OD2-OG 2.85Å; D40-Q115 PolarHBondContact N-O 3.35Å; D40-L116 HydrophobicContact CB-CD2 3.47Å; D40-L116 VanDerWaalsContact CB-CD2 3.47Å; D40-T117 PolarHBondContact O-N 2.91Å; D40-T117 PolarHBondContact O-OG1 3.34Å
41T98.7Very high97.3Very high1 Ų141.1 Ų41.11%0.00620%0.202CC..SBendtrans-72-30.2-174.155.70000112.5L39 T117 G144 L148 L162 I163L39-T41 HydrophobicContact CD2-CG2 3.51Å; T41-T117 WeakPolarHBondContact CA-OG1 3.43Å; T41-T117 PolarHBondContact O-OG1 2.75Å; T41-G144 WeakPolarHBondContact CG2-O 3.41Å; T41-G144 WeakPolarHBondContact O-CA 2.96Å; T41-L148 HydrophobicContact CG2-CD1 4.5Å; T41-L148 HydrophobicContact CG2-CD2 3.84Å; T41-L148 HydrophobicContact CG2-CG 4.07Å; T41-L162 PolarHBondContact N-O 3.49Å; T41-L162 VanDerWaalsContact N-O 3.1Å; T41-L162 PolarHBondContact OG1-O 2.92Å; T41-I163 HydrophobicContact CG2-CG1 4.23Å; T41-I163 WeakPolarHBondContact OG1-CA 3.37Å
42H98.4Very high96.5Very high32 Ų3237.3 Ų37.315%0.14819%0.187CC..SBendtrans-137.368.8-172.5-64.285.9000108.8D40 G44 F145 D164D40-H42 VanDerWaalsContact C-N 3.34Å; D40-H42 PolarHBondContact OD1-N 2.91Å; H42-G44 VanDerWaalsContact C-N 3.32Å; H42-G44 PolarHBondContact O-N 2.9Å; H42-F145 AromaticContact CE1-CE1 3.97Å; H42-F145 AromaticContact CE1-CE2 3.67Å; H42-F145 AromaticContact CE1-CZ 3.62Å; H42-F145 AromaticContact NE2-CE2 3.63Å; H42-F145 AromaticContact NE2-CZ 3.98Å; H42-D164 WeakPolarHBondContact CB-O 3.23Å
43A98.4Very high95.7Very high1 Ų138.2 Ų38.21%0.00819%0.193CC..  trans-74.2-13.8-162.300000115.2D40 P101 L116 T117 L127D40-A43 HydrophobicContact CB-CB 4.16Å; D40-A43 WeakPolarHBondContact OD1-CA 3.4Å; A43-P101 HydrophobicContact CB-CG 3.73Å; A43-P101 WeakPolarHBondContact O-CD 3.35Å; A43-P101 WeakPolarHBondContact O-CG 3.48Å; A43-L116 HydrophobicContact CB-CB 4.06Å; A43-T117 WeakPolarHBondContact CB-O 3.46Å; A43-T117 PolarHBondContact N-O 3.22Å; A43-L127 HydrophobicContact CB-CD1 4.24Å; A43-L127 HydrophobicContact CB-CD2 3.51Å
44G97.2Very high94.8Very high9 Ų934.6 Ų34.69%0.09317%0.172CC..THydrogen-bonded Turntrans63-152.5-176.700000112.8H42 E118 L127H42-G44 VanDerWaalsContact C-N 3.32Å; H42-G44 PolarHBondContact O-N 2.9Å; G44-E118 WeakPolarHBondContact CA-OE2 3.23Å; G44-E118 PolarHBondContact N-OE2 2.93Å; G44-L127 WeakPolarHBondContact O-CB 3.41Å
45A97.5Very high93.9Very high3 Ų327.4 Ų27.43%0.02514%0.141CC..THydrogen-bonded Turntrans-87.1-4.9-175.900000114.3R47 Y48 D123 L126 L127A45-R47 VanDerWaalsContact C-N 3.32Å; A45-R47 PolarHBondContact O-N 2.89Å; A45-Y48 HydrophobicContact CB-CD1 4.38Å; A45-Y48 HydrophobicContact CB-CE1 3.71Å; A45-Y48 PolarHBondContact N-OH 2.79Å; A45-Y48 VanDerWaalsContact N-OH 3.14Å; A45-D123 HydrophobicContact CB-CB 3.94Å; A45-L126 HydrophobicContact CB-CB 4.21Å; A45-L126 HydrophobicContact CB-CD1 4.13Å; A45-L127 PolarHBondContact O-N 2.81Å
46G98.2Very high93.1Very high0 Ų031.1 Ų31.10%015%0.154CC..SBendtrans85.2-52.1-174.900000114.3G99 L102G46-G99 WeakPolarHBondContact O-CA 3.22Å; G46-G99 PolarHBondContact O-N 3.05Å; G46-L102 WeakPolarHBondContact O-CD1 3.44Å; G46-L102 WeakPolarHBondContact O-CG 3.36Å
47R97.5Very high92.3Very high83 Ų8340.7 Ų40.731%0.31319%0.19SC..EExtended strand (participates in β ladder)trans-133.8158.417073.7178.374.1-179.19.9112.5A45 Y97 L102 E130A45-R47 VanDerWaalsContact C-N 3.32Å; A45-R47 PolarHBondContact O-N 2.89Å; R47-Y97 WeakPolarHBondContact CA-O 3.38Å; R47-L102 HydrophobicContact CB-CD1 3.61Å; R47-L102 HydrophobicContact CG-CD1 4.46Å; R47-E130 WeakPolarHBondContact CD-OE1 3.29Å; R47-E130 WeakPolarHBondContact CG-OE1 3.28Å; R47-E130 IonicContact CZ-OE1 3.74Å; R47-E130 VanDerWaalsContact CZ-OE1 3.3Å; R47-E130 IonicContact CZ-OE2 2.91Å; R47-E130 IonicContact NE-OE1 3.81Å; R47-E130 PolarHBondContact NE-OE1 2.84Å; R47-E130 IonicContact NE-OE2 3.96Å; R47-E130 PolarHBondContact NE-OE2 3.33Å; R47-E130 IonicContact NH2-OE1 3.09Å; R47-E130 PolarHBondContact NH2-OE1 3.06Å; R47-E130 IonicContact NH2-OE2 3.27Å; R47-E130 PolarHBondContact NH2-OE2 3.26Å
48Y96.9Very high91.7Very high13 Ų1343.3 Ų43.35%0.05121%0.206CC..EExtended strand (participates in β ladder)trans-130.5136.2-179.6-52.1-78.1000111.1H6 A10 A45 Y96 Y97H6-Y48 HydrophobicContact CB-CE1 3.9Å; H6-Y48 AromaticContact CD2-CE2 3.42Å; H6-Y48 VanDerWaalsContact CD2-CE2 3.42Å; H6-Y48 WeakPolarHBondContact CD2-CE2 3.44Å; H6-Y48 AromaticContact CD2-CZ 3.36Å; H6-Y48 PolarHBondContact CD2-OH 3.18Å; H6-Y48 AromaticContact CG-CZ 3.96Å; A10-Y48 HydrophobicContact CB-CD1 4.35Å; A10-Y48 HydrophobicContact CB-CD2 3.63Å; A10-Y48 HydrophobicContact CB-CE2 4.49Å; A10-Y48 HydrophobicContact CB-CG 3.55Å; A45-Y48 HydrophobicContact CB-CD1 4.38Å; A45-Y48 HydrophobicContact CB-CE1 3.71Å; A45-Y48 PolarHBondContact N-OH 2.79Å; A45-Y48 VanDerWaalsContact N-OH 3.14Å; Y48-Y96 CarbonylContact O-C 3.6Å; Y48-Y96 VanDerWaalsContact O-CA 3.29Å; Y48-Y96 WeakPolarHBondContact O-CA 3.46Å; Y48-Y97 HydrophobicContact CD2-CD1 4.38Å; Y48-Y97 PolarHBondContact N-O 3.17Å; Y48-Y97 PolarHBondContact O-N 3.41Å
49Q95.3Very high91.3Very high103 Ų10344 Ų4448%0.48121%0.213SC..EExtended strand (participates in β ladder)trans-84.8120.2173.3179.9175.6-37.900109.6G51 S52 Y96Q49-G51 PolarHBondContact NE2-O 3.04Å; Q49-S52 VanDerWaalsContact O-CB 3.32Å; Q49-S52 WeakPolarHBondContact O-CB 3.35Å; Q49-S52 PolarHBondContact O-N 2.72Å; Q49-S52 PolarHBondContact O-OG 2.93Å; Q49-Y96 HydrophobicContact CB-CD1 4.38Å; Q49-Y96 HydrophobicContact CB-CE1 4.27Å; Q49-Y96 HydrophobicContact CG-CE1 4.34Å
50L93.1Very high91.1Very high0 Ų046.5 Ų46.50%023%0.225CC..THydrogen-bonded Turntrans-82.2-19.9-174.6-63.8176000113.6A10 S52 A55 Y61 L94 R95A10-L50 HydrophobicContact CB-CD2 4.46Å; A10-L50 WeakPolarHBondContact O-CD2 3.37Å; L50-S52 VanDerWaalsContact C-N 3.31Å; L50-A55 VanDerWaalsContact O-CB 3.28Å; L50-A55 WeakPolarHBondContact O-CB 3.36Å; L50-Y61 HydrophobicContact CB-CD1 4.2Å; L50-Y61 HydrophobicContact CB-CD2 4.36Å; L50-Y61 HydrophobicContact CB-CE1 4.1Å; L50-Y61 HydrophobicContact CB-CE2 4.27Å; L50-Y61 HydrophobicContact CB-CG 4.33Å; L50-Y61 HydrophobicContact CD1-CD2 3.8Å; L50-Y61 HydrophobicContact CD1-CE2 4.22Å; L50-Y61 HydrophobicContact CD1-CG 4.1Å; L50-Y61 HydrophobicContact CD2-CD1 4.02Å; L50-Y61 HydrophobicContact CD2-CD2 4.37Å; L50-Y61 HydrophobicContact CD2-CG 3.81Å; L50-Y61 HydrophobicContact CG-CD2 4.41Å; L50-Y61 HydrophobicContact CG-CG 4.3Å; L50-Y61 WeakPolarHBondContact O-CE1 3.35Å; L50-L94 HydrophobicContact CD1-CD1 3.98Å; L50-L94 HydrophobicContact CD1-CD2 4.2Å; L50-L94 HydrophobicContact CD1-CG 3.59Å; L50-R95 PolarHBondContact N-O 3.35Å
51G85.3Confident91Very high22 Ų2248.3 Ų48.323%0.22723%0.232CC..THydrogen-bonded Turntrans-96.837.5166.600000112Q49Q49-G51 PolarHBondContact NE2-O 3.04Å
52S81.9Confident90.9Very high26 Ų2653 Ų5318%0.18226%0.256CS..SBendtrans-97.5156.817164.80000109.3Q49 L50 H54 A55 E56Q49-S52 VanDerWaalsContact O-CB 3.32Å; Q49-S52 WeakPolarHBondContact O-CB 3.35Å; Q49-S52 PolarHBondContact O-N 2.72Å; Q49-S52 PolarHBondContact O-OG 2.93Å; L50-S52 VanDerWaalsContact C-N 3.31Å; S52-H54 PolarHBondContact O-N 2.82Å; S52-H54 VanDerWaalsContact O-N 3.12Å; S52-A55 PolarHBondContact O-N 3.38Å; S52-A55 PolarHBondContact OG-N 3.04Å; S52-E56 WeakPolarHBondContact O-CG 3.3Å; S52-E56 PolarHBondContact O-N 3.38Å
53E81.9Confident90.8Very high159 Ų15957.1 Ų57.174%0.74328%0.276SS*.Hα-helixtrans-52.5-38.5178.9-169.5-168.7164.400112.2R57E53-R57 VanDerWaalsContact O-CB 3.28Å; E53-R57 WeakPolarHBondContact O-CB 3.48Å; E53-R57 PolarHBondContact O-N 2.78Å
54H79.2Confident90.8Very high64 Ų6457.1 Ų57.130%0.29628%0.275SS..Hα-helixtrans-63.3-48.6177.1-64.9167.9000112.7S7 F8 S52 R57S7-H54 PolarHBondContact OG-ND1 3.41Å; F8-H54 HydrophobicContact CD1-CB 3.82Å; F8-H54 VanDerWaalsContact CD1-O 3.31Å; F8-H54 WeakPolarHBondContact CD1-O 3.48Å; F8-H54 HydrophobicContact CE1-CB 3.71Å; F8-H54 AromaticContact CE1-CD2 3.67Å; F8-H54 AromaticContact CE1-CG 3.8Å; F8-H54 HydrophobicContact CE2-CB 4.43Å; F8-H54 HydrophobicContact CG-CB 4.24Å; F8-H54 HydrophobicContact CZ-CB 4.03Å; F8-H54 AromaticContact CZ-CD2 3.37Å; F8-H54 WeakPolarHBondContact CZ-CD2 3.45Å; F8-H54 AromaticContact CZ-CG 3.62Å; F8-H54 AromaticContact CZ-NE2 3.82Å; S52-H54 PolarHBondContact O-N 2.82Å; S52-H54 VanDerWaalsContact O-N 3.12Å; H54-R57 PolarHBondContact O-N 2.97Å
55A78.8Confident90.9Very high4 Ų456.7 Ų56.73%0.03327%0.271CS..Hα-helixtrans-73-33.3-177.600000112.1L50 S52 G59L50-A55 VanDerWaalsContact O-CB 3.28Å; L50-A55 WeakPolarHBondContact O-CB 3.36Å; S52-A55 PolarHBondContact O-N 3.38Å; S52-A55 PolarHBondContact OG-N 3.04Å; A55-G59 VanDerWaalsContact O-CA 3.32Å; A55-G59 WeakPolarHBondContact O-CA 3.28Å; A55-G59 PolarHBondContact O-N 3.23Å
56E81.6Confident90.9Very high130 Ų13057.9 Ų57.961%0.60728%0.281SS*.Hα-helixtrans-72-30.3176.1-71.8-177.4175.700112.4S52 T58S52-E56 WeakPolarHBondContact O-CG 3.3Å; S52-E56 PolarHBondContact O-N 3.38Å; E56-T58 VanDerWaalsContact C-N 3.28Å; E56-T58 PolarHBondContact O-N 2.96Å
57R83Confident90.9Very high201 Ų20161.3 Ų61.376%0.75829%0.294SS*.Hα-helixtrans-63.8-32.7178.8-173.7174.2-178.2178.41.2113.2E53 H54E53-R57 VanDerWaalsContact O-CB 3.28Å; E53-R57 WeakPolarHBondContact O-CB 3.48Å; E53-R57 PolarHBondContact O-N 2.78Å; H54-R57 PolarHBondContact O-N 2.97Å
58T86.1Confident91Very high57 Ų5757.4 Ų57.435%0.3528%0.279SS..Hα-helixtrans-104.4-36.4178.861.80000112F8 E56 E60F8-T58 HydrophobicContact CB-CG2 4.31Å; F8-T58 HydrophobicContact CD1-CG2 4.22Å; F8-T58 WeakPolarHBondContact O-CB 3.31Å; F8-T58 PolarHBondContact O-OG1 3.21Å; E56-T58 VanDerWaalsContact C-N 3.28Å; E56-T58 PolarHBondContact O-N 2.96Å; T58-E60 PolarHBondContact O-N 3.15Å
59G90.3Very high91Very high13 Ų1357.6 Ų57.613%0.13428%0.28CS..  trans65.412.3-178.400000114.2A55 Y61 L62A55-G59 VanDerWaalsContact O-CA 3.32Å; A55-G59 WeakPolarHBondContact O-CA 3.28Å; A55-G59 PolarHBondContact O-N 3.23Å; G59-Y61 PolarHBondContact O-N 3.25Å; G59-Y61 VanDerWaalsContact O-N 3.08Å; G59-L62 VanDerWaalsContact O-CB 3.22Å; G59-L62 WeakPolarHBondContact O-CB 3.49Å; G59-L62 WeakPolarHBondContact O-CG 3.43Å; G59-L62 PolarHBondContact O-N 3.13Å
60E94.9Very high91.2Very high56 Ų5657.3 Ų57.326%0.26228%0.278SS..G310 helixtrans-60.5-27.7-168.8-71.6177-162.900113.6H9 N12 T58 L62 E63 G64H9-E60 WeakPolarHBondContact CA-OE2 3.31Å; H9-E60 IonicContact CE1-OE1 2.97Å; H9-E60 PolarHBondContact CE1-OE1 3Å; H9-E60 IonicContact CG-OE2 3.36Å; H9-E60 VanDerWaalsContact ND1-CD 3.3Å; H9-E60 IonicContact ND1-OE1 2.63Å; H9-E60 PolarHBondContact ND1-OE1 2.74Å; H9-E60 IonicContact ND1-OE2 3.46Å; H9-E60 PolarHBondContact ND1-OE2 2.93Å; N12-E60 HydrophobicContact CB-CB 3.62Å; N12-E60 WeakPolarHBondContact CB-OE2 3.33Å; N12-E60 PolarHBondContact ND2-OE2 3.41Å; T58-E60 PolarHBondContact O-N 3.15Å; E60-L62 PolarHBondContact O-N 3.17Å; E60-E63 PolarHBondContact O-N 3.39Å; E60-G64 PolarHBondContact O-N 3.21Å; E60-G64 VanDerWaalsContact O-N 3.16Å
61Y96.8Very high91.4Very high38 Ų3860.5 Ų60.515%0.14929%0.293CS..G310 helixtrans-62.8-25.8176.382.3-89.2000113.1A10 L50 G59 E63 G64 I65 A66 L94A10-Y61 WeakPolarHBondContact O-CB 3.32Å; L50-Y61 HydrophobicContact CB-CD1 4.2Å; L50-Y61 HydrophobicContact CB-CD2 4.36Å; L50-Y61 HydrophobicContact CB-CE1 4.1Å; L50-Y61 HydrophobicContact CB-CE2 4.27Å; L50-Y61 HydrophobicContact CB-CG 4.33Å; L50-Y61 HydrophobicContact CD1-CD2 3.8Å; L50-Y61 HydrophobicContact CD1-CE2 4.22Å; L50-Y61 HydrophobicContact CD1-CG 4.1Å; L50-Y61 HydrophobicContact CD2-CD1 4.02Å; L50-Y61 HydrophobicContact CD2-CD2 4.37Å; L50-Y61 HydrophobicContact CD2-CG 3.81Å; L50-Y61 HydrophobicContact CG-CD2 4.41Å; L50-Y61 HydrophobicContact CG-CG 4.3Å; L50-Y61 WeakPolarHBondContact O-CE1 3.35Å; G59-Y61 PolarHBondContact O-N 3.25Å; G59-Y61 VanDerWaalsContact O-N 3.08Å; Y61-E63 PolarHBondContact O-N 2.86Å; Y61-G64 CarbonylContact O-C 3.6Å; Y61-G64 PolarHBondContact O-N 3.04Å; Y61-I65 PolarHBondContact O-N 3.29Å; Y61-A66 HydrophobicContact CD2-CB 4.3Å; Y61-A66 VanDerWaalsContact O-CB 3.25Å; Y61-A66 WeakPolarHBondContact O-CB 3.43Å; Y61-A66 PolarHBondContact O-N 2.67Å; Y61-L94 HydrophobicContact CD2-CD2 3.88Å; Y61-L94 HydrophobicContact CD2-CG 4.48Å; Y61-L94 HydrophobicContact CE2-CD2 4.11Å; Y61-L94 HydrophobicContact CE2-CG 4.49Å
62L96.7Very high92Very high98 Ų9867.8 Ų67.851%0.51333%0.327SS..G310 helixtrans-66.7-26176.2-64171.3000111.6G59 E60 A66 R67G59-L62 VanDerWaalsContact O-CB 3.22Å; G59-L62 WeakPolarHBondContact O-CB 3.49Å; G59-L62 WeakPolarHBondContact O-CG 3.43Å; G59-L62 PolarHBondContact O-N 3.13Å; E60-L62 PolarHBondContact O-N 3.17Å; L62-A66 HydrophobicContact CD2-CB 4.49Å; L62-R67 WeakPolarHBondContact O-CG 3.28Å
63E96.8Very high92.8Very high120 Ų12070.6 Ų70.656%0.56134%0.34SS*.THydrogen-bonded Turntrans-98.4-8.5176.3-53.4-162.1149.500113.1E60 Y61 R67E60-E63 PolarHBondContact O-N 3.39Å; Y61-E63 PolarHBondContact O-N 2.86Å; E63-R67 IonicContact OE1-NH2 3.76Å
64G98.3Very high93.6Very high0 Ų064.5 Ų64.50%031%0.313CS..THydrogen-bonded Turntrans-105.8-110.1176.100000112.5G11 E60 Y61 A66 R67G11-G64 CarbonylContact O-C 3.59Å; G11-G64 WeakPolarHBondContact O-CA 3.44Å; E60-G64 PolarHBondContact O-N 3.21Å; E60-G64 VanDerWaalsContact O-N 3.16Å; Y61-G64 CarbonylContact O-C 3.6Å; Y61-G64 PolarHBondContact O-N 3.04Å; G64-A66 PolarHBondContact O-N 2.92Å; G64-A66 VanDerWaalsContact O-N 3.15Å; G64-R67 PolarHBondContact O-N 3.15Å
65I98.6Very high94.5Very high0 Ų062.7 Ų62.70%031%0.306CS..Hα-helixtrans-56.8-33.6-172.2-175.558.1000113.2G11 V16 Y61 R67 I68 W69 Y81 I82 V85 L94 Y97G11-I65 WeakPolarHBondContact O-CG2 3.33Å; G11-I65 PolarHBondContact O-N 2.77Å; V16-I65 HydrophobicContact CG2-CB 4.2Å; Y61-I65 PolarHBondContact O-N 3.29Å; I65-R67 PolarHBondContact O-N 3.07Å; I65-I68 HydrophobicContact CD1-CD1 4Å; I65-I68 HydrophobicContact CD1-CG1 3.82Å; I65-I68 WeakPolarHBondContact O-CG1 3.29Å; I65-I68 PolarHBondContact O-N 2.71Å; I65-I68 VanDerWaalsContact O-N 3.12Å; I65-W69 HydrophobicContact CD1-CB 3.85Å; I65-W69 HydrophobicContact CG1-CB 4.16Å; I65-W69 WeakPolarHBondContact O-CB 3.48Å; I65-W69 PolarHBondContact O-N 3.14Å; I65-W69 VanDerWaalsContact O-N 3.07Å; I65-Y81 HydrophobicContact CD1-CE1 4.34Å; I65-I82 HydrophobicContact CD1-CD1 3.67Å; I65-V85 HydrophobicContact CD1-CG1 4.28Å; I65-V85 HydrophobicContact CD1-CG2 4.12Å; I65-V85 HydrophobicContact CG1-CG1 4.05Å; I65-V85 HydrophobicContact CG1-CG2 4.49Å; I65-L94 HydrophobicContact CG2-CD2 4Å; I65-Y97 HydrophobicContact CB-CD2 4.27Å; I65-Y97 HydrophobicContact CB-CE2 3.93Å; I65-Y97 HydrophobicContact CD1-CE2 4.42Å; I65-Y97 HydrophobicContact CG1-CD2 4.16Å; I65-Y97 HydrophobicContact CG1-CE2 3.87Å; I65-Y97 HydrophobicContact CG2-CD2 3.93Å; I65-Y97 HydrophobicContact CG2-CE2 4.07Å
66A98.1Very high95.5Very high29 Ų2965.6 Ų65.624%0.2433%0.331CS..Hα-helixtrans-61.4-29.6179.800000112.4Y61 L62 G64 L94Y61-A66 HydrophobicContact CD2-CB 4.3Å; Y61-A66 VanDerWaalsContact O-CB 3.25Å; Y61-A66 WeakPolarHBondContact O-CB 3.43Å; Y61-A66 PolarHBondContact O-N 2.67Å; L62-A66 HydrophobicContact CD2-CB 4.49Å; G64-A66 PolarHBondContact O-N 2.92Å; G64-A66 VanDerWaalsContact O-N 3.15Å; A66-L94 HydrophobicContact CB-CD2 3.81Å
67R98.4Very high96.3Very high72 Ų7261.5 Ų61.527%0.27231%0.311SS..Hα-helixtrans-75.5-21.2179.3-62.2-166.9173.2160.1-2.2113.4L62 E63 G64 I65 Q71 K263 L264L62-R67 WeakPolarHBondContact O-CG 3.28Å; E63-R67 IonicContact OE1-NH2 3.76Å; G64-R67 PolarHBondContact O-N 3.15Å; I65-R67 PolarHBondContact O-N 3.07Å; R67-Q71 VanDerWaalsContact O-CG 3.3Å; R67-Q71 WeakPolarHBondContact O-CG 3.34Å; R67-Q71 PolarHBondContact O-NE2 3.34Å; R67-K263 WeakPolarHBondContact CD-O 3.46Å; R67-L264 PolarHBondContact NH1-O 2.78Å
68I98.6Very high97Very high0 Ų051.9 Ų51.90%028%0.275CS..Hα-helixtrans-114.7-29.7-170.467.6167.1000114.7V16 I65 Q70 Q71 Y81 I82 W259 L260 K263 L264V16-I68 HydrophobicContact CB-CD1 4.41Å; V16-I68 HydrophobicContact CG1-CD1 3.5Å; V16-I68 VanDerWaalsContact CG1-CD1 3.5Å; V16-I68 HydrophobicContact CG2-CD1 3.99Å; I65-I68 HydrophobicContact CD1-CD1 4Å; I65-I68 HydrophobicContact CD1-CG1 3.82Å; I65-I68 WeakPolarHBondContact O-CG1 3.29Å; I65-I68 PolarHBondContact O-N 2.71Å; I65-I68 VanDerWaalsContact O-N 3.12Å; I68-Q70 VanDerWaalsContact C-N 3.25Å; I68-Q70 PolarHBondContact O-N 3.38Å; I68-Q70 VanDerWaalsContact O-N 3.14Å; I68-Q71 WeakPolarHBondContact O-CG 3.28Å; I68-Q71 PolarHBondContact O-N 3.03Å; I68-Y81 HydrophobicContact CD1-CE1 4.33Å; I68-I82 HydrophobicContact CD1-CD1 3.93Å; I68-I82 HydrophobicContact CG1-CD1 4.15Å; I68-W259 HydrophobicContact CB-CH2 4.09Å; I68-W259 HydrophobicContact CB-CZ3 4.07Å; I68-W259 HydrophobicContact CG2-CH2 4.21Å; I68-W259 HydrophobicContact CG2-CZ3 3.92Å; I68-L260 HydrophobicContact CD1-CD2 4.19Å; I68-L260 HydrophobicContact CG2-CD2 4.43Å; I68-K263 HydrophobicContact CG2-CB 3.91Å; I68-L264 HydrophobicContact CG2-CD2 4.12Å
69W98.5Very high97.6Very high17 Ų1753.9 Ų53.96%0.06428%0.28CS..THydrogen-bonded Turntrans-71.8-14.4-163.779.2-51.6000115.8I65 I82 V85 K86 N89 G92 L94I65-W69 HydrophobicContact CD1-CB 3.85Å; I65-W69 HydrophobicContact CG1-CB 4.16Å; I65-W69 WeakPolarHBondContact O-CB 3.48Å; I65-W69 PolarHBondContact O-N 3.14Å; I65-W69 VanDerWaalsContact O-N 3.07Å; W69-I82 HydrophobicContact CB-CD1 4.24Å; W69-I82 HydrophobicContact CB-CG2 4.4Å; W69-V85 HydrophobicContact CE3-CG1 3.97Å; W69-K86 HydrophobicContact CE3-CG 4.41Å; W69-K86 WeakPolarHBondContact O-CE 3.42Å; W69-N89 HydrophobicContact CH2-CB 3.99Å; W69-N89 HydrophobicContact CZ3-CB 3.6Å; W69-G92 WeakPolarHBondContact CH2-O 3.45Å; W69-G92 WeakPolarHBondContact CZ2-O 3.44Å; W69-L94 HydrophobicContact CD2-CD1 3.91Å; W69-L94 HydrophobicContact CD2-CD2 4.42Å; W69-L94 HydrophobicContact CE3-CD1 3.9Å; W69-L94 HydrophobicContact CH2-CB 3.9Å; W69-L94 HydrophobicContact CH2-CD1 4.07Å; W69-L94 HydrophobicContact CZ2-CB 3.47Å; W69-L94 VanDerWaalsContact CZ2-CB 3.47Å; W69-L94 HydrophobicContact CZ2-CD1 4.11Å; W69-L94 HydrophobicContact CZ2-CD2 4.49Å; W69-L94 HydrophobicContact CZ2-CG 4.2Å; W69-L94 HydrophobicContact CZ3-CD1 3.98Å
70Q97.9Very high98Very high97 Ų9754.4 Ų54.445%0.45328%0.284SS..THydrogen-bonded Turntrans-120.415.3179.4-63.8-71.9-4.500112.1I68I68-Q70 VanDerWaalsContact C-N 3.25Å; I68-Q70 PolarHBondContact O-N 3.38Å; I68-Q70 VanDerWaalsContact O-N 3.14Å
71Q98.3Very high98.2Very high68 Ų6851.8 Ų51.832%0.31827%0.271SS..  trans-71.6133.6176.7-65.4-64.5-48.900110.2R67 I68 D73 W259 K263R67-Q71 VanDerWaalsContact O-CG 3.3Å; R67-Q71 WeakPolarHBondContact O-CG 3.34Å; R67-Q71 PolarHBondContact O-NE2 3.34Å; I68-Q71 WeakPolarHBondContact O-CG 3.28Å; I68-Q71 PolarHBondContact O-N 3.03Å; Q71-D73 VanDerWaalsContact C-N 3.33Å; Q71-D73 PolarHBondContact OE1-OD1 2.88Å; Q71-W259 HydrophobicContact CB-CH2 3.92Å; Q71-W259 HydrophobicContact CB-CZ2 3.73Å; Q71-W259 HydrophobicContact CG-CH2 3.88Å; Q71-W259 HydrophobicContact CG-CZ2 3.9Å; Q71-K263 HydrophobicContact CG-CD 4.41Å
72D98Very high98.3Very high175 Ų17550 Ų5094%0.93626%0.264SS*.THydrogen-bonded Turntrans-73-29176.8-64.9-42.3000111.9L74D72-L74 VanDerWaalsContact C-N 3.26Å; D72-L74 PolarHBondContact O-N 3.4Å
73D98.4Very high98.4Very high84 Ų8449.6 Ų49.645%0.44926%0.262SS..THydrogen-bonded Turntrans-90.729.4177.367.9-37.6000112.6Q71 P75 W259 K263Q71-D73 VanDerWaalsContact C-N 3.33Å; Q71-D73 PolarHBondContact OE1-OD1 2.88Å; D73-P75 VanDerWaalsContact O-CD 3.29Å; D73-P75 WeakPolarHBondContact O-CD 3.42Å; D73-W259 PolarHBondContact O-NE1 3.44Å; D73-W259 PolarHBondContact OD2-NE1 3.42Å; D73-K263 VanDerWaalsContact CG-NZ 3.35Å; D73-K263 IonicContact OD1-NZ 3.31Å; D73-K263 PolarHBondContact OD1-NZ 3.09Å; D73-K263 WeakPolarHBondContact OD2-CE 3.45Å; D73-K263 IonicContact OD2-NZ 2.77Å; D73-K263 PolarHBondContact OD2-NZ 3.02Å
74L98.6Very high98.5Very high32 Ų3244.2 Ų44.217%0.16824%0.238CC..  trans-61.3122.2-178.6-173.774.7000110.7D72 L78 E79 I82 W259D72-L74 VanDerWaalsContact C-N 3.26Å; D72-L74 PolarHBondContact O-N 3.4Å; L74-L78 HydrophobicContact CD1-CB 3.85Å; L74-L78 HydrophobicContact CD1-CD1 3.83Å; L74-L78 HydrophobicContact CD1-CG 4.44Å; L74-L78 HydrophobicContact CD2-CB 4.44Å; L74-L78 HydrophobicContact CG-CB 4.1Å; L74-E79 HydrophobicContact CD2-CG 4.44Å; L74-I82 HydrophobicContact CD1-CG1 3.94Å; L74-I82 HydrophobicContact CD2-CB 3.84Å; L74-I82 HydrophobicContact CD2-CG1 3.83Å; L74-I82 HydrophobicContact CD2-CG2 3.94Å; L74-W259 HydrophobicContact CD1-CH2 3.81Å; L74-W259 HydrophobicContact CD1-CZ3 4.23Å
75P98.7Very high98.5Very high25 Ų2544.2 Ų44.216%0.16224%0.238CC..  trans-59.7142.3174.7-26.335.7000112.3D73 E77 L78 V256 W259D73-P75 VanDerWaalsContact O-CD 3.29Å; D73-P75 WeakPolarHBondContact O-CD 3.42Å; P75-E77 PolarHBondContact O-N 3.45Å; P75-E77 VanDerWaalsContact O-N 3.16Å; P75-L78 HydrophobicContact CB-CG 4.49Å; P75-L78 HydrophobicContact CG-CD1 4.47Å; P75-L78 PolarHBondContact O-N 3.2Å; P75-V256 HydrophobicContact CB-CG2 3.92Å; P75-V256 HydrophobicContact CG-CG2 4.03Å; P75-W259 HydrophobicContact CG-CB 4.1Å; P75-W259 HydrophobicContact CG-CD2 3.58Å; P75-W259 HydrophobicContact CG-CE3 3.87Å; P75-W259 HydrophobicContact CG-CG 3.68Å
76A98.5Very high98.5Very high66 Ų6648 Ų4855%0.54526%0.255SS..G310 helixtrans-56.9-34-178.300000112.4L78 E79A76-L78 PolarHBondContact O-N 3.1Å; A76-L78 VanDerWaalsContact O-N 3.16Å; A76-E79 WeakPolarHBondContact O-CB 3.23Å; A76-E79 PolarHBondContact O-N 3.01Å; A76-E79 VanDerWaalsContact O-N 3.16Å
77E98.7Very high98.6Very high43 Ų4350.1 Ų50.120%0.20126%0.259CS..G310 helixtrans-58.7-24175.6-68.388.8163.300113.7L24 P75 Q252 N255 V256L24-E77 HydrophobicContact CD2-CB 4.1Å; L24-E77 VanDerWaalsContact CD2-O 3.32Å; L24-E77 WeakPolarHBondContact CD2-O 3.32Å; P75-E77 PolarHBondContact O-N 3.45Å; P75-E77 VanDerWaalsContact O-N 3.16Å; E77-Q252 HydrophobicContact CG-CB 4Å; E77-Q252 HydrophobicContact CG-CG 3.97Å; E77-N255 PolarHBondContact OE1-ND2 3.4Å; E77-V256 HydrophobicContact CB-CB 4.44Å; E77-V256 HydrophobicContact CB-CG2 4.47Å
78L98.8Very high98.5Very high0 Ų047.8 Ų47.80%025%0.251CS..G310 helixtrans-93.7-11.6-179.7-58.5-173.9000113.6T20 L74 P75 A76 A80 Y81 I82 V256 W259 L260T20-L78 HydrophobicContact CG2-CD2 3.35Å; L74-L78 HydrophobicContact CD1-CB 3.85Å; L74-L78 HydrophobicContact CD1-CD1 3.83Å; L74-L78 HydrophobicContact CD1-CG 4.44Å; L74-L78 HydrophobicContact CD2-CB 4.44Å; L74-L78 HydrophobicContact CG-CB 4.1Å; P75-L78 HydrophobicContact CB-CG 4.49Å; P75-L78 HydrophobicContact CG-CD1 4.47Å; P75-L78 PolarHBondContact O-N 3.2Å; A76-L78 PolarHBondContact O-N 3.1Å; A76-L78 VanDerWaalsContact O-N 3.16Å; L78-A80 PolarHBondContact O-N 3.49Å; L78-Y81 PolarHBondContact O-N 2.7Å; L78-I82 HydrophobicContact CB-CG1 4.26Å; L78-I82 WeakPolarHBondContact O-CG1 3.34Å; L78-I82 PolarHBondContact O-N 3.47Å; L78-V256 HydrophobicContact CD1-CG2 3.86Å; L78-V256 HydrophobicContact CD2-CG2 3.64Å; L78-V256 HydrophobicContact CG-CG2 3.59Å; L78-W259 HydrophobicContact CD1-CE3 3.87Å; L78-W259 HydrophobicContact CD1-CH2 4.41Å; L78-W259 HydrophobicContact CD1-CZ3 3.51Å; L78-L260 HydrophobicContact CD1-CD2 3.76Å; L78-L260 HydrophobicContact CD1-CG 4.25Å; L78-L260 HydrophobicContact CD2-CD1 4.4Å; L78-L260 HydrophobicContact CD2-CD2 4.5Å
79E98.7Very high98.5Very high99 Ų9948.1 Ų48.146%0.46325%0.253SS..Hα-helixtrans-58.5-45-170.8-74179.1-172.200112.6L74 A76 Y81 I82 N83L74-E79 HydrophobicContact CD2-CG 4.44Å; A76-E79 WeakPolarHBondContact O-CB 3.23Å; A76-E79 PolarHBondContact O-N 3.01Å; A76-E79 VanDerWaalsContact O-N 3.16Å; E79-Y81 VanDerWaalsContact C-N 3.34Å; E79-Y81 PolarHBondContact O-N 3.44Å; E79-I82 PolarHBondContact O-N 3.36Å; E79-N83 WeakPolarHBondContact O-CB 3.45Å; E79-N83 PolarHBondContact O-N 3.04Å; E79-N83 PolarHBondContact O-ND2 2.65Å; E79-N83 VanDerWaalsContact O-ND2 3.12Å
80A98.7Very high98.5Very high24 Ų2456.8 Ų56.820%0.19829%0.285CS..Hα-helixtrans-58.2-47.1-179.900000111.4E27 L78 V84 L107E27-A80 HydrophobicContact CG-CB 3.88Å; L78-A80 PolarHBondContact O-N 3.49Å; A80-V84 WeakPolarHBondContact O-CG2 3.42Å; A80-V84 PolarHBondContact O-N 3.46Å; A80-L107 HydrophobicContact CB-CD2 4.16Å
81Y98.9Very high98.4Very high0 Ų056.4 Ų56.40%029%0.294CS..Hα-helixtrans-64.7-50.4176.8166.1-138.2000112.1H19 I65 I68 L78 E79 N83 V84 V85 Y97 I103H19-Y81 HydrophobicContact CB-CD2 4.02Å; H19-Y81 HydrophobicContact CB-CE1 4.48Å; H19-Y81 HydrophobicContact CB-CE2 3.64Å; I65-Y81 HydrophobicContact CD1-CE1 4.34Å; I68-Y81 HydrophobicContact CD1-CE1 4.33Å; L78-Y81 PolarHBondContact O-N 2.7Å; E79-Y81 VanDerWaalsContact C-N 3.34Å; E79-Y81 PolarHBondContact O-N 3.44Å; Y81-N83 VanDerWaalsContact C-N 3.33Å; Y81-N83 PolarHBondContact O-N 3.28Å; Y81-V84 WeakPolarHBondContact O-CB 3.33Å; Y81-V84 PolarHBondContact O-N 3.02Å; Y81-V84 VanDerWaalsContact O-N 3.13Å; Y81-V85 HydrophobicContact CD2-CG2 4.06Å; Y81-V85 HydrophobicContact CE2-CG2 3.59Å; Y81-V85 PolarHBondContact O-N 2.91Å; Y81-V85 VanDerWaalsContact O-N 3.13Å; Y81-Y97 HydrophobicContact CE2-CE2 4.49Å; Y81-Y97 WeakPolarHBondContact OH-CE2 3.11Å; Y81-Y97 PolarHBondContact OH-OH 3.31Å; Y81-I103 HydrophobicContact CD2-CD1 3.79Å; Y81-I103 HydrophobicContact CE2-CD1 3.75Å
82I98.8Very high98.2Very high0 Ų055.3 Ų55.30%030%0.3CS..Hα-helixtrans-67-34.1-177-64-53.3000112I65 I68 W69 L74 L78 E79 V84 V85 K86I65-I82 HydrophobicContact CD1-CD1 3.67Å; I68-I82 HydrophobicContact CD1-CD1 3.93Å; I68-I82 HydrophobicContact CG1-CD1 4.15Å; W69-I82 HydrophobicContact CB-CD1 4.24Å; W69-I82 HydrophobicContact CB-CG2 4.4Å; L74-I82 HydrophobicContact CD1-CG1 3.94Å; L74-I82 HydrophobicContact CD2-CB 3.84Å; L74-I82 HydrophobicContact CD2-CG1 3.83Å; L74-I82 HydrophobicContact CD2-CG2 3.94Å; L78-I82 HydrophobicContact CB-CG1 4.26Å; L78-I82 WeakPolarHBondContact O-CG1 3.34Å; L78-I82 PolarHBondContact O-N 3.47Å; E79-I82 PolarHBondContact O-N 3.36Å; I82-V84 VanDerWaalsContact C-N 3.27Å; I82-V84 PolarHBondContact O-N 2.85Å; I82-V85 PolarHBondContact O-N 2.65Å; I82-V85 VanDerWaalsContact O-N 3.12Å; I82-K86 HydrophobicContact CG2-CD 4.12Å; I82-K86 HydrophobicContact CG2-CG 4.26Å; I82-K86 WeakPolarHBondContact O-CG 3.42Å; I82-K86 PolarHBondContact O-N 3Å
83N98.8Very high98.2Very high90 Ų9052 Ų5248%0.48128%0.279SS..Hα-helixtrans-63-35.1174.4-74.4-26.2000111.8E79 Y81 K86 H87E79-N83 WeakPolarHBondContact O-CB 3.45Å; E79-N83 PolarHBondContact O-N 3.04Å; E79-N83 PolarHBondContact O-ND2 2.65Å; E79-N83 VanDerWaalsContact O-ND2 3.12Å; Y81-N83 VanDerWaalsContact C-N 3.33Å; Y81-N83 PolarHBondContact O-N 3.28Å; N83-K86 PolarHBondContact O-N 3.11Å; N83-H87 WeakPolarHBondContact O-CB 3.08Å; N83-H87 PolarHBondContact O-N 3.38Å
84V98.9Very high98.1Very high7 Ų749.2 Ų49.24%0.04226%0.264CS..Hα-helixtrans-65.7-45.1171178.30000111A80 Y81 I82 K86 H87 F88 P98 I103 Q106 L107A80-V84 WeakPolarHBondContact O-CG2 3.42Å; A80-V84 PolarHBondContact O-N 3.46Å; Y81-V84 WeakPolarHBondContact O-CB 3.33Å; Y81-V84 PolarHBondContact O-N 3.02Å; Y81-V84 VanDerWaalsContact O-N 3.13Å; I82-V84 VanDerWaalsContact C-N 3.27Å; I82-V84 PolarHBondContact O-N 2.85Å; V84-K86 VanDerWaalsContact C-N 3.33Å; V84-K86 PolarHBondContact O-N 2.64Å; V84-H87 WeakPolarHBondContact O-CB 3.44Å; V84-H87 PolarHBondContact O-N 2.85Å; V84-F88 HydrophobicContact CG1-CD2 4.14Å; V84-F88 HydrophobicContact CG1-CE2 3.81Å; V84-F88 VanDerWaalsContact O-CD2 3.24Å; V84-F88 WeakPolarHBondContact O-CD2 3.49Å; V84-F88 PolarHBondContact O-N 2.65Å; V84-P98 HydrophobicContact CG1-CB 4.26Å; V84-P98 HydrophobicContact CG1-CG 4.09Å; V84-I103 HydrophobicContact CG1-CG1 4.25Å; V84-Q106 HydrophobicContact CG1-CB 4.02Å; V84-Q106 HydrophobicContact CG1-CG 3.93Å; V84-Q106 HydrophobicContact CG2-CB 3.75Å; V84-L107 HydrophobicContact CG2-CD2 3.78Å; V84-L107 HydrophobicContact CG2-CG 3.97Å
85V98.8Very high98Very high0 Ų053.7 Ų53.70%028%0.279CS..Hα-helixtrans-58.7-45.3175.8179.10000111.1I65 W69 Y81 I82 H87 F88 N89 L94 Y97 P98I65-V85 HydrophobicContact CD1-CG1 4.28Å; I65-V85 HydrophobicContact CD1-CG2 4.12Å; I65-V85 HydrophobicContact CG1-CG1 4.05Å; I65-V85 HydrophobicContact CG1-CG2 4.49Å; W69-V85 HydrophobicContact CE3-CG1 3.97Å; Y81-V85 HydrophobicContact CD2-CG2 4.06Å; Y81-V85 HydrophobicContact CE2-CG2 3.59Å; Y81-V85 PolarHBondContact O-N 2.91Å; Y81-V85 VanDerWaalsContact O-N 3.13Å; I82-V85 PolarHBondContact O-N 2.65Å; I82-V85 VanDerWaalsContact O-N 3.12Å; V85-H87 VanDerWaalsContact C-N 3.33Å; V85-H87 PolarHBondContact O-N 3.43Å; V85-F88 PolarHBondContact O-N 3Å; V85-N89 PolarHBondContact O-N 3.41Å; V85-N89 PolarHBondContact O-ND2 2.85Å; V85-L94 HydrophobicContact CG1-CD1 4.18Å; V85-Y97 HydrophobicContact CG2-CE2 4.4Å; V85-P98 HydrophobicContact CG2-CG 3.96Å
86K98.6Very high97.9Very high81 Ų8156.9 Ų56.935%0.35229%0.288SS..Hα-helixtrans-61.6-37.9176.5-73.4177.1175.9176.70112.1W69 I82 N83 V84 F88 N89 R90W69-K86 HydrophobicContact CE3-CG 4.41Å; W69-K86 WeakPolarHBondContact O-CE 3.42Å; I82-K86 HydrophobicContact CG2-CD 4.12Å; I82-K86 HydrophobicContact CG2-CG 4.26Å; I82-K86 WeakPolarHBondContact O-CG 3.42Å; I82-K86 PolarHBondContact O-N 3Å; N83-K86 PolarHBondContact O-N 3.11Å; V84-K86 VanDerWaalsContact C-N 3.33Å; V84-K86 PolarHBondContact O-N 2.64Å; K86-F88 PolarHBondContact O-N 3.1Å; K86-N89 CarbonylContact O-C 3.54Å; K86-N89 VanDerWaalsContact O-C 3.29Å; K86-N89 PolarHBondContact O-N 2.79Å; K86-R90 PolarHBondContact O-N 2.98Å
87H98.4Very high97.9Very high73 Ų7353.8 Ų53.834%0.33826%0.262SS..Hα-helixtrans-56.6-37.7177.5178.892.4000113N83 V84 V85 N89 R90 Q106N83-H87 WeakPolarHBondContact O-CB 3.08Å; N83-H87 PolarHBondContact O-N 3.38Å; V84-H87 WeakPolarHBondContact O-CB 3.44Å; V84-H87 PolarHBondContact O-N 2.85Å; V85-H87 VanDerWaalsContact C-N 3.33Å; V85-H87 PolarHBondContact O-N 3.43Å; H87-N89 VanDerWaalsContact C-N 3.34Å; H87-R90 PolarHBondContact CE1-NH2 3.34Å; H87-R90 WeakPolarHBondContact O-CG 3.49Å; H87-R90 PolarHBondContact O-NE 2.72Å; H87-Q106 PolarHBondContact CD2-NE2 3.16Å; H87-Q106 PolarHBondContact NE2-NE2 3.38Å
88F98.2Very high97.9Very high23 Ų2351.7 Ų51.710%0.10125%0.253CS..THydrogen-bonded Turntrans-84.9-5.3178.2-69.2-76.2000113.9V84 V85 K86 P98 L102 Q106V84-F88 HydrophobicContact CG1-CD2 4.14Å; V84-F88 HydrophobicContact CG1-CE2 3.81Å; V84-F88 VanDerWaalsContact O-CD2 3.24Å; V84-F88 WeakPolarHBondContact O-CD2 3.49Å; V84-F88 PolarHBondContact O-N 2.65Å; V85-F88 PolarHBondContact O-N 3Å; K86-F88 PolarHBondContact O-N 3.1Å; F88-P98 HydrophobicContact CD2-CB 3.72Å; F88-P98 HydrophobicContact CD2-CG 4Å; F88-P98 HydrophobicContact CE2-CB 3.8Å; F88-P98 HydrophobicContact CE2-CG 4.45Å; F88-L102 HydrophobicContact CE1-CD1 3.9Å; F88-L102 HydrophobicContact CE2-CB 4.14Å; F88-L102 HydrophobicContact CE2-CD1 4.35Å; F88-L102 HydrophobicContact CZ-CB 3.99Å; F88-L102 HydrophobicContact CZ-CD1 3.71Å; F88-L102 HydrophobicContact CZ-CD2 4.36Å; F88-L102 HydrophobicContact CZ-CG 4.26Å; F88-Q106 HydrophobicContact CE2-CG 3.92Å; F88-Q106 HydrophobicContact CZ-CG 4.11Å
89N98.4Very high97.9Very high6 Ų651.8 Ų51.83%0.03225%0.254CS..  trans-133.548-175.2-65.4-78.2000111.5W69 V85 K86 H87 S91 G92 Q93 R95 Y96W69-N89 HydrophobicContact CH2-CB 3.99Å; W69-N89 HydrophobicContact CZ3-CB 3.6Å; V85-N89 PolarHBondContact O-N 3.41Å; V85-N89 PolarHBondContact O-ND2 2.85Å; K86-N89 CarbonylContact O-C 3.54Å; K86-N89 VanDerWaalsContact O-C 3.29Å; K86-N89 PolarHBondContact O-N 2.79Å; H87-N89 VanDerWaalsContact C-N 3.34Å; N89-S91 PolarHBondContact O-N 2.89Å; N89-G92 PolarHBondContact O-N 2.83Å; N89-Q93 PolarHBondContact OD1-O 3.15Å; N89-R95 PolarHBondContact OD1-N 2.92Å; N89-Y96 PolarHBondContact ND2-O 2.87Å; N89-Y96 PolarHBondContact OD1-N 3.42Å; N89-Y96 PolarHBondContact OD1-O 3.11Å
90R96.8Very high97.9Very high199 Ų19947.3 Ų47.375%0.75123%0.233SC*.THydrogen-bonded Turntrans-59.7-20-173.2-59.8-175.4-176.1-1630.5114.8K86 H87 G92K86-R90 PolarHBondContact O-N 2.98Å; H87-R90 PolarHBondContact CE1-NH2 3.34Å; H87-R90 WeakPolarHBondContact O-CG 3.49Å; H87-R90 PolarHBondContact O-NE 2.72Å; R90-G92 PolarHBondContact O-N 3.26Å
91S96.5Very high97.9Very high90 Ų9046.2 Ų46.263%0.62922%0.224SC*.THydrogen-bonded Turntrans-72.2-7.5175.660.60000113.7N89 Q93N89-S91 PolarHBondContact O-N 2.89Å; S91-Q93 PolarHBondContact O-N 3.34Å; S91-Q93 PolarHBondContact OG-N 3.21Å
92G95.1Very high97.9Very high44 Ų4446.2 Ų46.245%0.45422%0.224SC..SBendtrans78-4.8-171.100000113.6W69 N89 R90W69-G92 WeakPolarHBondContact CH2-O 3.45Å; W69-G92 WeakPolarHBondContact CZ2-O 3.44Å; N89-G92 PolarHBondContact O-N 2.83Å; R90-G92 PolarHBondContact O-N 3.26Å
93Q96.8Very high97.9Very high107 Ų10746.2 Ų46.250%0.522%0.224SC..SBendtrans-96.3133173.4-63.2-172.6-4.500110.8N89 S91 R95N89-Q93 PolarHBondContact OD1-O 3.15Å; S91-Q93 PolarHBondContact O-N 3.34Å; S91-Q93 PolarHBondContact OG-N 3.21Å; Q93-R95 HydrophobicContact CB-CG 4.28Å; Q93-R95 PolarHBondContact O-N 3.36Å; Q93-R95 VanDerWaalsContact O-N 3.11Å
94L96.8Very high97.9Very high24 Ų2441.9 Ų41.913%0.12620%0.201CC..  trans-7896.8179.8-165.354.8000110.6L50 Y61 I65 A66 W69 V85L50-L94 HydrophobicContact CD1-CD1 3.98Å; L50-L94 HydrophobicContact CD1-CD2 4.2Å; L50-L94 HydrophobicContact CD1-CG 3.59Å; Y61-L94 HydrophobicContact CD2-CD2 3.88Å; Y61-L94 HydrophobicContact CD2-CG 4.48Å; Y61-L94 HydrophobicContact CE2-CD2 4.11Å; Y61-L94 HydrophobicContact CE2-CG 4.49Å; I65-L94 HydrophobicContact CG2-CD2 4Å; A66-L94 HydrophobicContact CB-CD2 3.81Å; W69-L94 HydrophobicContact CD2-CD1 3.91Å; W69-L94 HydrophobicContact CD2-CD2 4.42Å; W69-L94 HydrophobicContact CE3-CD1 3.9Å; W69-L94 HydrophobicContact CH2-CB 3.9Å; W69-L94 HydrophobicContact CH2-CD1 4.07Å; W69-L94 HydrophobicContact CZ2-CB 3.47Å; W69-L94 VanDerWaalsContact CZ2-CB 3.47Å; W69-L94 HydrophobicContact CZ2-CD1 4.11Å; W69-L94 HydrophobicContact CZ2-CD2 4.49Å; W69-L94 HydrophobicContact CZ2-CG 4.2Å; W69-L94 HydrophobicContact CZ3-CD1 3.98Å; V85-L94 HydrophobicContact CG1-CD1 4.18Å
95R96.2Very high97.9Very high127 Ų12743.6 Ų43.648%0.47921%0.207SC..  trans-116.6-29.6-176.9-64-62.8-175.5177.8-1.4113.2L50 N89 Q93L50-R95 PolarHBondContact N-O 3.35Å; N89-R95 PolarHBondContact OD1-N 2.92Å; Q93-R95 HydrophobicContact CB-CG 4.28Å; Q93-R95 PolarHBondContact O-N 3.36Å; Q93-R95 VanDerWaalsContact O-N 3.11Å
96Y97.5Very high97.9Very high92 Ų9246.8 Ų46.836%0.36122%0.221SC..EExtended strand (participates in β ladder)trans-127.9141.9-177.7-59.6-76.1000110.7Y48 Q49 N89Y48-Y96 CarbonylContact O-C 3.6Å; Y48-Y96 VanDerWaalsContact O-CA 3.29Å; Y48-Y96 WeakPolarHBondContact O-CA 3.46Å; Q49-Y96 HydrophobicContact CB-CD1 4.38Å; Q49-Y96 HydrophobicContact CB-CE1 4.27Å; Q49-Y96 HydrophobicContact CG-CE1 4.34Å; N89-Y96 PolarHBondContact ND2-O 2.87Å; N89-Y96 PolarHBondContact OD1-N 3.42Å; N89-Y96 PolarHBondContact OD1-O 3.11Å
97Y98.4Very high97.9Very high0 Ų043.9 Ų43.90%021%0.21CC..EExtended strand (participates in β ladder)trans-114.6123.9170.1-171.6-107000110.1A10 D15 H19 R47 Y48 I65 Y81 V85A10-Y97 HydrophobicContact CB-CD1 4.16Å; D15-Y97 HydrophobicContact CB-CE1 3.99Å; D15-Y97 VanDerWaalsContact OD2-CE1 3.22Å; D15-Y97 WeakPolarHBondContact OD2-CE1 3.3Å; H19-Y97 AromaticContact CE1-CE1 3.68Å; H19-Y97 AromaticContact ND1-CE1 3.6Å; H19-Y97 AromaticContact ND1-CZ 3.53Å; H19-Y97 PolarHBondContact ND1-OH 2.87Å; R47-Y97 WeakPolarHBondContact CA-O 3.38Å; Y48-Y97 HydrophobicContact CD2-CD1 4.38Å; Y48-Y97 PolarHBondContact N-O 3.17Å; Y48-Y97 PolarHBondContact O-N 3.41Å; I65-Y97 HydrophobicContact CB-CD2 4.27Å; I65-Y97 HydrophobicContact CB-CE2 3.93Å; I65-Y97 HydrophobicContact CD1-CE2 4.42Å; I65-Y97 HydrophobicContact CG1-CD2 4.16Å; I65-Y97 HydrophobicContact CG1-CE2 3.87Å; I65-Y97 HydrophobicContact CG2-CD2 3.93Å; I65-Y97 HydrophobicContact CG2-CE2 4.07Å; Y81-Y97 HydrophobicContact CE2-CE2 4.49Å; Y81-Y97 WeakPolarHBondContact OH-CE2 3.11Å; Y81-Y97 PolarHBondContact OH-OH 3.31Å; V85-Y97 HydrophobicContact CG2-CE2 4.4Å
98P98.6Very high98Very high0 Ų040.8 Ų40.80%020%0.196CC..EExtended strand (participates in β ladder)trans-75.9123.2172.930.7-31.3000109.9V84 V85 F88 L102 I103V84-P98 HydrophobicContact CG1-CB 4.26Å; V84-P98 HydrophobicContact CG1-CG 4.09Å; V85-P98 HydrophobicContact CG2-CG 3.96Å; F88-P98 HydrophobicContact CD2-CB 3.72Å; F88-P98 HydrophobicContact CD2-CG 4Å; F88-P98 HydrophobicContact CE2-CB 3.8Å; F88-P98 HydrophobicContact CE2-CG 4.45Å; P98-L102 HydrophobicContact CB-CB 3.95Å; P98-I103 HydrophobicContact CB-CG1 4.22Å; P98-I103 HydrophobicContact CG-CG1 4.29Å
99G98.5Very high98Very high2 Ų241.8 Ų41.82%0.02120%0.199CC..  trans-74175.2167.500000111.9G46 P101 L102 I103G46-G99 WeakPolarHBondContact O-CA 3.22Å; G46-G99 PolarHBondContact O-N 3.05Å; G99-P101 VanDerWaalsContact C-N 3.28Å; G99-P101 WeakPolarHBondContact O-CD 3.31Å; G99-P101 VanDerWaalsContact O-N 3.1Å; G99-L102 PolarHBondContact O-N 3.34Å; G99-I103 PolarHBondContact O-N 3.46Å; G99-I103 VanDerWaalsContact O-N 3.1Å
100S98.8Very high98Very high5 Ų550 Ų504%0.03524%0.237CC..Hα-helixtrans-48.2-37.6-178.959.70000114.9H19 Q22 Y38 D40 L102 I103 A104 L162H19-S100 PolarHBondContact NE2-N 3.44Å; H19-S100 VanDerWaalsContact NE2-N 3.19Å; Q22-S100 PolarHBondContact NE2-O 2.94Å; Y38-S100 WeakPolarHBondContact OH-CB 3.43Å; D40-S100 WeakPolarHBondContact OD2-CB 3.45Å; D40-S100 PolarHBondContact OD2-OG 2.85Å; S100-L102 PolarHBondContact O-N 2.89Å; S100-I103 PolarHBondContact O-N 2.81Å; S100-A104 PolarHBondContact O-N 3.03Å; S100-L162 VanDerWaalsContact CB-CD2 3.42Å
101P98.9Very high98.1Very high0 Ų045 Ų450%022%0.222CC..Hα-helixtrans-67.9-38.8-179.9-20.736000112.4A43 G99 A104 R105 L116 L127 F131A43-P101 HydrophobicContact CB-CG 3.73Å; A43-P101 WeakPolarHBondContact O-CD 3.35Å; A43-P101 WeakPolarHBondContact O-CG 3.48Å; G99-P101 VanDerWaalsContact C-N 3.28Å; G99-P101 WeakPolarHBondContact O-CD 3.31Å; G99-P101 VanDerWaalsContact O-N 3.1Å; P101-A104 PolarHBondContact O-N 3.33Å; P101-R105 WeakPolarHBondContact O-CB 3.3Å; P101-R105 PolarHBondContact O-N 3.12Å; P101-L116 HydrophobicContact CB-CD1 3.95Å; P101-L116 HydrophobicContact CB-CD2 4.16Å; P101-L127 HydrophobicContact CB-CD1 3.85Å; P101-L127 HydrophobicContact CG-CD1 3.73Å; P101-F131 HydrophobicContact CB-CE2 3.75Å; P101-F131 HydrophobicContact CB-CZ 3.74Å; P101-F131 WeakPolarHBondContact O-CZ 3.3Å
102L98.9Very high98.2Very high0 Ų040.9 Ų40.90%019%0.193CC..Hα-helixtrans-77.2-30.8-179.5-71.6-172000112.2G46 R47 F88 P98 G99 S100 A104 R105 Q106 E130 F131G46-L102 WeakPolarHBondContact O-CD1 3.44Å; G46-L102 WeakPolarHBondContact O-CG 3.36Å; R47-L102 HydrophobicContact CB-CD1 3.61Å; R47-L102 HydrophobicContact CG-CD1 4.46Å; F88-L102 HydrophobicContact CE1-CD1 3.9Å; F88-L102 HydrophobicContact CE2-CB 4.14Å; F88-L102 HydrophobicContact CE2-CD1 4.35Å; F88-L102 HydrophobicContact CZ-CB 3.99Å; F88-L102 HydrophobicContact CZ-CD1 3.71Å; F88-L102 HydrophobicContact CZ-CD2 4.36Å; F88-L102 HydrophobicContact CZ-CG 4.26Å; P98-L102 HydrophobicContact CB-CB 3.95Å; G99-L102 PolarHBondContact O-N 3.34Å; S100-L102 PolarHBondContact O-N 2.89Å; L102-A104 VanDerWaalsContact C-N 3.34Å; L102-R105 HydrophobicContact CD2-CB 4.36Å; L102-R105 PolarHBondContact O-N 2.8Å; L102-Q106 VanDerWaalsContact O-CG 3.29Å; L102-Q106 WeakPolarHBondContact O-CG 3.45Å; L102-Q106 PolarHBondContact O-N 3.33Å; L102-Q106 VanDerWaalsContact O-N 3.08Å; L102-E130 HydrophobicContact CD1-CG 4.48Å; L102-E130 HydrophobicContact CD2-CB 4.03Å; L102-E130 HydrophobicContact CD2-CG 4.25Å; L102-F131 HydrophobicContact CD2-CE2 4.4Å; L102-F131 HydrophobicContact CD2-CZ 4.22Å
103I98.9Very high98.4Very high0 Ų040.9 Ų40.90%019%0.186CC..Hα-helixtrans-58.8-50.5167.9-64.8-179.8000109.7H19 Y81 V84 P98 G99 S100 R105 Q106 L107H19-I103 HydrophobicContact CB-CD1 3.39Å; Y81-I103 HydrophobicContact CD2-CD1 3.79Å; Y81-I103 HydrophobicContact CE2-CD1 3.75Å; V84-I103 HydrophobicContact CG1-CG1 4.25Å; P98-I103 HydrophobicContact CB-CG1 4.22Å; P98-I103 HydrophobicContact CG-CG1 4.29Å; G99-I103 PolarHBondContact O-N 3.46Å; G99-I103 VanDerWaalsContact O-N 3.1Å; S100-I103 PolarHBondContact O-N 2.81Å; I103-R105 PolarHBondContact O-N 3.35Å; I103-Q106 PolarHBondContact O-N 3.16Å; I103-L107 HydrophobicContact CG2-CD1 3.81Å; I103-L107 WeakPolarHBondContact O-CB 3.07Å; I103-L107 WeakPolarHBondContact O-CG 3.39Å; I103-L107 PolarHBondContact O-N 2.98Å; I103-L107 VanDerWaalsContact O-N 3.12Å
104A98.9Very high98.5Very high0 Ų035.9 Ų35.90%016%0.163CC..Hα-helixtrans-59.7-46174.600000112.2I26 Y38 S100 P101 L102 Q106 L107 L108 L114I26-A104 HydrophobicContact CD1-CB 4.17Å; Y38-A104 HydrophobicContact CD1-CB 3.32Å; Y38-A104 HydrophobicContact CD2-CB 3.98Å; Y38-A104 HydrophobicContact CE1-CB 3.36Å; Y38-A104 HydrophobicContact CE2-CB 4.03Å; Y38-A104 HydrophobicContact CG-CB 3.65Å; S100-A104 PolarHBondContact O-N 3.03Å; P101-A104 PolarHBondContact O-N 3.33Å; L102-A104 VanDerWaalsContact C-N 3.34Å; A104-Q106 VanDerWaalsContact C-N 3.27Å; A104-Q106 PolarHBondContact O-N 3.16Å; A104-L107 PolarHBondContact O-N 3.42Å; A104-L108 HydrophobicContact CB-CD1 4.15Å; A104-L108 VanDerWaalsContact O-CB 3.3Å; A104-L108 WeakPolarHBondContact O-CB 3.26Å; A104-L108 VanDerWaalsContact O-CD1 3.32Å; A104-L108 WeakPolarHBondContact O-CD1 3.47Å; A104-L108 PolarHBondContact O-N 2.98Å; A104-L114 HydrophobicContact CB-CD2 3.91Å
105R98.8Very high98.6Very high42 Ų4237 Ų3716%0.15817%0.167CC..Hα-helixtrans-54.6-42.7-179-165.3-175.576.3-174.8-2.4112.9P101 L102 I103 E130 F131 D134 R136P101-R105 WeakPolarHBondContact O-CB 3.3Å; P101-R105 PolarHBondContact O-N 3.12Å; L102-R105 HydrophobicContact CD2-CB 4.36Å; L102-R105 PolarHBondContact O-N 2.8Å; I103-R105 PolarHBondContact O-N 3.35Å; R105-E130 PolarHBondContact NH1-O 2.93Å; R105-E130 IonicContact NH1-OE2 3.42Å; R105-E130 PolarHBondContact NH1-OE2 3.4Å; R105-F131 HydrophobicContact CB-CE1 3.68Å; R105-F131 HydrophobicContact CB-CZ 4.01Å; R105-F131 HydrophobicContact CG-CD1 4.25Å; R105-F131 HydrophobicContact CG-CE1 3.58Å; R105-F131 HydrophobicContact CG-CZ 4.32Å; R105-D134 WeakPolarHBondContact CG-OD2 3.16Å; R105-R136 PolarHBondContact O-NH2 3.4Å
106Q98.8Very high98.7Very high67 Ų6731 Ų3131%0.31315%0.145SC..Hα-helixtrans-80.9-27.7-176.7-62.2-57.3111.400113.1V84 H87 F88 L102 I103 A104V84-Q106 HydrophobicContact CG1-CB 4.02Å; V84-Q106 HydrophobicContact CG1-CG 3.93Å; V84-Q106 HydrophobicContact CG2-CB 3.75Å; H87-Q106 PolarHBondContact CD2-NE2 3.16Å; H87-Q106 PolarHBondContact NE2-NE2 3.38Å; F88-Q106 HydrophobicContact CE2-CG 3.92Å; F88-Q106 HydrophobicContact CZ-CG 4.11Å; L102-Q106 VanDerWaalsContact O-CG 3.29Å; L102-Q106 WeakPolarHBondContact O-CG 3.45Å; L102-Q106 PolarHBondContact O-N 3.33Å; L102-Q106 VanDerWaalsContact O-N 3.08Å; I103-Q106 PolarHBondContact O-N 3.16Å; A104-Q106 VanDerWaalsContact C-N 3.27Å; A104-Q106 PolarHBondContact O-N 3.16Å
107L98.9Very high98.8Very high20 Ų2026.7 Ų26.711%0.10513%0.128CC..Hα-helixtrans-91.7-30.9-178.4-64-179.3000113.7I26 K30 A80 V84 I103 A104I26-L107 HydrophobicContact CD1-CD1 4.48Å; I26-L107 HydrophobicContact CG2-CB 3.64Å; I26-L107 HydrophobicContact CG2-CD1 4.32Å; K30-L107 WeakPolarHBondContact CD-O 3.48Å; K30-L107 VanDerWaalsContact CE-O 3.28Å; K30-L107 WeakPolarHBondContact CE-O 3.43Å; A80-L107 HydrophobicContact CB-CD2 4.16Å; V84-L107 HydrophobicContact CG2-CD2 3.78Å; V84-L107 HydrophobicContact CG2-CG 3.97Å; I103-L107 HydrophobicContact CG2-CD1 3.81Å; I103-L107 WeakPolarHBondContact O-CB 3.07Å; I103-L107 WeakPolarHBondContact O-CG 3.39Å; I103-L107 PolarHBondContact O-N 2.98Å; I103-L107 VanDerWaalsContact O-N 3.12Å; A104-L107 PolarHBondContact O-N 3.42Å
108L98.8Very high98.8Very high9 Ų928 Ų285%0.04713%0.134CC..SBendtrans-67.1148.6178.6-95.361.8000111.9I26 F36 A104 D112 L114 R136I26-L108 HydrophobicContact CD1-CD1 4.02Å; I26-L108 HydrophobicContact CG1-CD1 4.24Å; I26-L108 HydrophobicContact CG2-CD1 3.86Å; F36-L108 HydrophobicContact CE2-CD1 3.85Å; F36-L108 HydrophobicContact CE2-CD2 4.5Å; F36-L108 HydrophobicContact CE2-CG 4.02Å; F36-L108 HydrophobicContact CZ-CD1 3.9Å; F36-L108 HydrophobicContact CZ-CG 3.96Å; A104-L108 HydrophobicContact CB-CD1 4.15Å; A104-L108 VanDerWaalsContact O-CB 3.3Å; A104-L108 WeakPolarHBondContact O-CB 3.26Å; A104-L108 VanDerWaalsContact O-CD1 3.32Å; A104-L108 WeakPolarHBondContact O-CD1 3.47Å; A104-L108 PolarHBondContact O-N 2.98Å; L108-D112 HydrophobicContact CB-CB 4.03Å; L108-D112 HydrophobicContact CD2-CB 3.83Å; L108-D112 HydrophobicContact CG-CB 3.74Å; L108-L114 HydrophobicContact CD2-CD1 3.74Å; L108-L114 HydrophobicContact CD2-CD2 4.28Å; L108-L114 HydrophobicContact CD2-CG 3.67Å; L108-R136 PolarHBondContact O-NH1 2.62Å
109R98.7Very high98.7Very high43 Ų4331.3 Ų31.316%0.16215%0.152CC..  trans-86177.6179.3-55162.1-64.8179.610.1110.9K30 K32 K34 Q111 D112 R136K30-R109 HydrophobicContact CG-CG 4.36Å; K30-R109 PolarHBondContact O-NH1 3.45Å; K32-R109 PolarHBondContact O-NH1 3.42Å; K32-R109 PolarHBondContact O-NH2 3.22Å; K34-R109 PolarHBondContact O-NH2 3.18Å; K34-R109 VanDerWaalsContact O-NH2 3.13Å; R109-Q111 VanDerWaalsContact C-N 3.3Å; R109-Q111 PolarHBondContact O-N 2.94Å; R109-D112 VanDerWaalsContact CB-OD2 3.31Å; R109-D112 WeakPolarHBondContact CB-OD2 3.43Å; R109-D112 IonicContact CZ-OD1 3.75Å; R109-D112 IonicContact CZ-OD2 3.57Å; R109-D112 PolarHBondContact N-OD2 2.84Å; R109-D112 IonicContact NE-OD1 3.75Å; R109-D112 IonicContact NE-OD2 2.85Å; R109-D112 PolarHBondContact NE-OD2 3.27Å; R109-D112 IonicContact NH2-OD1 3.28Å; R109-D112 PolarHBondContact NH2-OD1 2.82Å; R109-D112 IonicContact NH2-OD2 3.3Å; R109-D112 PolarHBondContact NH2-OD2 3.12Å; R109-D112 PolarHBondContact O-N 3.25Å; R109-R136 WeakPolarHBondContact O-CD 3.14Å; R109-R136 PolarHBondContact O-NH1 3.3Å
110E98.5Very high98.5Very high180 Ų18032 Ų3284%0.84116%0.155SC*.THydrogen-bonded Turntrans-64.3-33.9-178.3-65-173.3172.600113
111Q98.5Very high98.4Very high93 Ų9335.3 Ų35.344%0.43518%0.176SC..THydrogen-bonded Turntrans-83.1-13.1-178.969.5-90.538.600114.5D33 P35 R109D33-Q111 PolarHBondContact O-NE2 3.41Å; P35-Q111 HydrophobicContact CB-CB 4.26Å; P35-Q111 HydrophobicContact CB-CG 3.99Å; P35-Q111 WeakPolarHBondContact CB-O 3.38Å; R109-Q111 VanDerWaalsContact C-N 3.3Å; R109-Q111 PolarHBondContact O-N 2.94Å
112D98.9Very high98.2Very high3 Ų338.1 Ų38.12%0.01620%0.196CC..  trans-81.4162.8-179.6-58.3-44.7000110.5P35 F36 L108 R109P35-D112 WeakPolarHBondContact CA-OD1 3.37Å; F36-D112 WeakPolarHBondContact CD1-OD1 3.43Å; F36-D112 HydrophobicContact CE1-CB 4.43Å; F36-D112 VanDerWaalsContact CE1-CG 3.45Å; F36-D112 WeakPolarHBondContact CE1-OD1 3.41Å; F36-D112 VanDerWaalsContact CE1-OD2 3.31Å; F36-D112 WeakPolarHBondContact CE1-OD2 3.16Å; F36-D112 PolarHBondContact N-OD1 3.48Å; L108-D112 HydrophobicContact CB-CB 4.03Å; L108-D112 HydrophobicContact CD2-CB 3.83Å; L108-D112 HydrophobicContact CG-CB 3.74Å; R109-D112 VanDerWaalsContact CB-OD2 3.31Å; R109-D112 WeakPolarHBondContact CB-OD2 3.43Å; R109-D112 IonicContact CZ-OD1 3.75Å; R109-D112 IonicContact CZ-OD2 3.57Å; R109-D112 PolarHBondContact N-OD2 2.84Å; R109-D112 IonicContact NE-OD1 3.75Å; R109-D112 IonicContact NE-OD2 2.85Å; R109-D112 PolarHBondContact NE-OD2 3.27Å; R109-D112 IonicContact NH2-OD1 3.28Å; R109-D112 PolarHBondContact NH2-OD1 2.82Å; R109-D112 IonicContact NH2-OD2 3.3Å; R109-D112 PolarHBondContact NH2-OD2 3.12Å; R109-D112 PolarHBondContact O-N 3.25Å
113S98.9Very high98.1Very high45 Ų4538.6 Ų38.632%0.31520%0.198SC..EExtended strand (participates in β ladder)trans-129.5152.6-176.556.80000112.2F36 Y38 R136F36-S113 PolarHBondContact O-N 3.13Å; F36-S113 VanDerWaalsContact O-N 3.08Å; Y38-S113 PolarHBondContact N-O 3.39Å; S113-R136 WeakPolarHBondContact CA-O 3.09Å
114L98.9Very high98Very high2 Ų240.6 Ų40.61%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-121.4135.5177.7-5789.2000110.7Y38 A104 L108 L116 F131 R136 A137 R138Y38-L114 HydrophobicContact CD1-CD2 4.1Å; Y38-L114 HydrophobicContact CD1-CG 4.39Å; Y38-L114 CarbonylContact O-C 3.29Å; Y38-L114 WeakPolarHBondContact O-CA 3.46Å; A104-L114 HydrophobicContact CB-CD2 3.91Å; L108-L114 HydrophobicContact CD2-CD1 3.74Å; L108-L114 HydrophobicContact CD2-CD2 4.28Å; L108-L114 HydrophobicContact CD2-CG 3.67Å; L114-L116 HydrophobicContact CB-CD1 4.49Å; L114-L116 HydrophobicContact CB-CD2 4.36Å; L114-L116 HydrophobicContact CB-CG 4.29Å; L114-F131 HydrophobicContact CD2-CE1 3.9Å; L114-F131 HydrophobicContact CD2-CZ 4.36Å; L114-R136 HydrophobicContact CD1-CB 3.86Å; L114-R136 PolarHBondContact N-O 3.27Å; L114-A137 HydrophobicContact CB-CB 3.95Å; L114-A137 HydrophobicContact CD1-CB 4.33Å; L114-A137 CarbonylContact O-C 3.57Å; L114-A137 WeakPolarHBondContact O-CA 3.49Å; L114-R138 PolarHBondContact O-N 3.42Å
115Q98.9Very high98Very high46 Ų4643.9 Ų43.922%0.21523%0.227CC..EExtended strand (participates in β ladder)trans-127.4118.2167.9-71.5177.38.800109.1L37 Y38 L39 D40 R138L37-Q115 HydrophobicContact CD1-CB 4.09Å; L37-Q115 HydrophobicContact CD1-CG 3.79Å; Y38-Q115 PolarHBondContact O-N 3.13Å; L39-Q115 CarbonylContact C-O 3.59Å; L39-Q115 WeakPolarHBondContact CA-O 3.43Å; D40-Q115 PolarHBondContact N-O 3.35Å; Q115-R138 WeakPolarHBondContact CA-O 3.24Å; Q115-R138 HydrophobicContact CG-CB 4.48Å
116L98.9Very high98Very high1 Ų146 Ų461%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-127.1129.3-167.2-50.4172.6000109Y38 D40 A43 P101 L114 L127 F131 R138 V139 E140Y38-L116 HydrophobicContact CD1-CD2 4.03Å; Y38-L116 HydrophobicContact CE1-CD2 3.81Å; D40-L116 HydrophobicContact CB-CD2 3.47Å; D40-L116 VanDerWaalsContact CB-CD2 3.47Å; A43-L116 HydrophobicContact CB-CB 4.06Å; P101-L116 HydrophobicContact CB-CD1 3.95Å; P101-L116 HydrophobicContact CB-CD2 4.16Å; L114-L116 HydrophobicContact CB-CD1 4.49Å; L114-L116 HydrophobicContact CB-CD2 4.36Å; L114-L116 HydrophobicContact CB-CG 4.29Å; L116-L127 HydrophobicContact CB-CD2 4.23Å; L116-L127 HydrophobicContact CD1-CD1 4.39Å; L116-F131 HydrophobicContact CD1-CD1 4.27Å; L116-F131 HydrophobicContact CD1-CD2 3.68Å; L116-F131 HydrophobicContact CD1-CE1 3.93Å; L116-F131 HydrophobicContact CD1-CE2 3.33Å; L116-F131 HydrophobicContact CD1-CG 4.15Å; L116-F131 HydrophobicContact CD1-CZ 3.46Å; L116-F131 VanDerWaalsContact CD1-CZ 3.46Å; L116-R138 PolarHBondContact N-O 3.4Å; L116-V139 HydrophobicContact CB-CG2 4.37Å; L116-V139 HydrophobicContact CD1-CG2 4.08Å; L116-V139 WeakPolarHBondContact O-CA 3.2Å; L116-E140 PolarHBondContact O-N 3.09Å
117T98.7Very high98Very high3 Ų342.8 Ų42.82%0.01823%0.226CC..EExtended strand (participates in β ladder)trans-122.3137.7174.739.50000112.7D40 T41 A43 E140 A142 G144 Q147D40-T117 PolarHBondContact O-N 2.91Å; D40-T117 PolarHBondContact O-OG1 3.34Å; T41-T117 WeakPolarHBondContact CA-OG1 3.43Å; T41-T117 PolarHBondContact O-OG1 2.75Å; A43-T117 WeakPolarHBondContact CB-O 3.46Å; A43-T117 PolarHBondContact N-O 3.22Å; T117-E140 WeakPolarHBondContact CA-O 3.32Å; T117-E140 HydrophobicContact CG2-CB 4.04Å; T117-A142 HydrophobicContact CG2-CB 4.19Å; T117-G144 WeakPolarHBondContact OG1-CA 3.29Å; T117-Q147 HydrophobicContact CG2-CG 3.48Å; T117-Q147 VanDerWaalsContact CG2-CG 3.48Å
118E98.2Very high97.9Very high26 Ų2648.5 Ų48.512%0.12125%0.246CC..  trans-143.8130.9173.7177.749.6-112.500109.5G44 H120 D123 L127 E140 K141G44-E118 WeakPolarHBondContact CA-OE2 3.23Å; G44-E118 PolarHBondContact N-OE2 2.93Å; E118-H120 HydrophobicContact CG-CB 4.46Å; E118-H120 WeakPolarHBondContact OE1-CB 3.44Å; E118-H120 PolarHBondContact OE1-N 2.86Å; E118-D123 HydrophobicContact CG-CB 4.01Å; E118-L127 HydrophobicContact CB-CD2 3.77Å; E118-E140 PolarHBondContact N-O 3.48Å; E118-K141 WeakPolarHBondContact O-CA 3.47Å; E118-K141 WeakPolarHBondContact O-CG 3.39Å
119L96.9Very high97.9Very high70 Ų7050.8 Ų50.837%0.36626%0.263SS..  trans-91.4-31.4-179.1-79.8174000112.7L2 K141 A142L2-L119 HydrophobicContact CD1-CB 3.76Å; L119-K141 WeakPolarHBondContact O-CE 3.36Å; L119-A142 VanDerWaalsContact CD2-C 3.46Å; L119-A142 WeakPolarHBondContact CG-O 3.48Å
120H95.2Very high97.9Very high18 Ų1850.1 Ų50.18%0.08326%0.261CS..  trans-62.7123.2-172.1-172.3-86.3000110.5L2 R5 E118 S122 D123 Y124L2-H120 HydrophobicContact CD1-CB 4.46Å; R5-H120 WeakPolarHBondContact CD-CE1 3.32Å; R5-H120 WeakPolarHBondContact CD-NE2 3.37Å; R5-H120 PolarHBondContact NE-CE1 2.77Å; R5-H120 PolarHBondContact NH1-CE1 3.43Å; E118-H120 HydrophobicContact CG-CB 4.46Å; E118-H120 WeakPolarHBondContact OE1-CB 3.44Å; E118-H120 PolarHBondContact OE1-N 2.86Å; H120-S122 VanDerWaalsContact CE1-CB 3.48Å; H120-S122 WeakPolarHBondContact CE1-CB 3.34Å; H120-S122 PolarHBondContact CE1-OG 2.97Å; H120-S122 PolarHBondContact ND1-N 3.32Å; H120-S122 PolarHBondContact O-N 3.15Å; H120-S122 VanDerWaalsContact O-N 3.15Å; H120-D123 HydrophobicContact CB-CB 4.14Å; H120-D123 IonicContact CG-OD2 3.89Å; H120-D123 PolarHBondContact ND1-N 3.17Å; H120-D123 IonicContact ND1-OD2 3.63Å; H120-D123 PolarHBondContact ND1-OD2 2.9Å; H120-D123 PolarHBondContact O-N 3.43Å; H120-D123 VanDerWaalsContact O-N 3.13Å; H120-Y124 PolarHBondContact O-N 3.04Å
121P95.6Very high97.9Very high73 Ų7342 Ų4247%0.47422%0.223SC..THydrogen-bonded Turntrans-65.2-23.7-169.526-35.5000113.8P125P121-P125 WeakPolarHBondContact O-CD 3.28Å; P121-P125 VanDerWaalsContact O-CG 3.31Å; P121-P125 WeakPolarHBondContact O-CG 3.19Å
122S95.2Very high97.9Very high60 Ų6044.4 Ų44.442%0.4224%0.235SC..THydrogen-bonded Turntrans-90.6-26.4175.6-46.50000113.6H120 L126H120-S122 VanDerWaalsContact CE1-CB 3.48Å; H120-S122 WeakPolarHBondContact CE1-CB 3.34Å; H120-S122 PolarHBondContact CE1-OG 2.97Å; H120-S122 PolarHBondContact ND1-N 3.32Å; H120-S122 PolarHBondContact O-N 3.15Å; H120-S122 VanDerWaalsContact O-N 3.15Å; S122-L126 WeakPolarHBondContact O-CG 3.44Å
123D96.3Very high97.8Very high9 Ų954.3 Ų54.35%0.04828%0.277CS..Hα-helixtrans-91.1-34.1-175.3-64.7-30.9000111.3R5 A45 E118 H120 L126 L127R5-D123 IonicContact CZ-OD1 3.28Å; R5-D123 IonicContact CZ-OD2 2.93Å; R5-D123 IonicContact NE-OD1 3.46Å; R5-D123 PolarHBondContact NE-OD1 3.37Å; R5-D123 IonicContact NE-OD2 2.96Å; R5-D123 PolarHBondContact NE-OD2 3.39Å; R5-D123 IonicContact NH2-OD1 2.86Å; R5-D123 PolarHBondContact NH2-OD1 3.04Å; R5-D123 IonicContact NH2-OD2 2.97Å; A45-D123 HydrophobicContact CB-CB 3.94Å; E118-D123 HydrophobicContact CG-CB 4.01Å; H120-D123 HydrophobicContact CB-CB 4.14Å; H120-D123 IonicContact CG-OD2 3.89Å; H120-D123 PolarHBondContact ND1-N 3.17Å; H120-D123 IonicContact ND1-OD2 3.63Å; H120-D123 PolarHBondContact ND1-OD2 2.9Å; H120-D123 PolarHBondContact O-N 3.43Å; H120-D123 VanDerWaalsContact O-N 3.13Å; D123-L126 WeakPolarHBondContact O-CB 3.4Å; D123-L126 PolarHBondContact O-N 3.38Å; D123-L126 VanDerWaalsContact O-N 3.11Å; D123-L127 PolarHBondContact O-N 3.2Å
124Y98.1Very high97.8Very high43 Ų4353.2 Ų53.217%0.16927%0.268CS..Hα-helixtrans-55.3-46.1175.1165.6-100.9000113.9H120 L126 L127 R128 V139 E140 K141H120-Y124 PolarHBondContact O-N 3.04Å; Y124-L126 VanDerWaalsContact C-N 3.31Å; Y124-L126 PolarHBondContact O-N 2.93Å; Y124-L127 PolarHBondContact O-N 3.19Å; Y124-R128 WeakPolarHBondContact O-CB 3.47Å; Y124-R128 PolarHBondContact O-N 3.31Å; Y124-V139 HydrophobicContact CD2-CG1 4.18Å; Y124-V139 HydrophobicContact CE2-CG1 3.93Å; Y124-E140 VanDerWaalsContact CE2-C 3.46Å; Y124-K141 HydrophobicContact CD1-CB 3.84Å; Y124-K141 HydrophobicContact CD1-CD 3.89Å; Y124-K141 HydrophobicContact CD1-CG 4.1Å; Y124-K141 HydrophobicContact CD2-CB 3.66Å; Y124-K141 HydrophobicContact CD2-CG 4.26Å; Y124-K141 HydrophobicContact CE1-CB 3.85Å; Y124-K141 HydrophobicContact CE1-CD 4.38Å; Y124-K141 HydrophobicContact CE2-CB 3.69Å; Y124-K141 HydrophobicContact CG-CB 3.73Å; Y124-K141 HydrophobicContact CG-CD 4.17Å; Y124-K141 HydrophobicContact CG-CG 3.92Å
125P98.3Very high97.8Very high68 Ų6859.3 Ų59.344%0.44231%0.311SS..Hα-helixtrans-61.7-37.7176.2-24.235.5000113.1P121 S129P121-P125 WeakPolarHBondContact O-CD 3.28Å; P121-P125 VanDerWaalsContact O-CG 3.31Å; P121-P125 WeakPolarHBondContact O-CG 3.19Å; P125-S129 PolarHBondContact O-N 2.86Å
126L98.1Very high97.8Very high86 Ų8659.7 Ų59.745%0.4531%0.311SS..Hα-helixtrans-64.7-50.9176-63.3173000110.1A45 S122 D123 Y124 R128 S129 E130A45-L126 HydrophobicContact CB-CB 4.21Å; A45-L126 HydrophobicContact CB-CD1 4.13Å; S122-L126 WeakPolarHBondContact O-CG 3.44Å; D123-L126 WeakPolarHBondContact O-CB 3.4Å; D123-L126 PolarHBondContact O-N 3.38Å; D123-L126 VanDerWaalsContact O-N 3.11Å; Y124-L126 VanDerWaalsContact C-N 3.31Å; Y124-L126 PolarHBondContact O-N 2.93Å; L126-R128 VanDerWaalsContact C-N 3.33Å; L126-R128 PolarHBondContact O-N 2.78Å; L126-S129 WeakPolarHBondContact O-CB 3.37Å; L126-S129 PolarHBondContact O-N 2.72Å; L126-S129 PolarHBondContact O-OG 3.44Å; L126-E130 PolarHBondContact O-N 2.64Å
127L98.6Very high97.8Very high0 Ų060.8 Ų60.80%032%0.319CS..Hα-helixtrans-55.6-48.3175.7-178.966000111.3A43 G44 A45 P101 L116 E118 D123 Y124 S129 E130 F131 V139A43-L127 HydrophobicContact CB-CD1 4.24Å; A43-L127 HydrophobicContact CB-CD2 3.51Å; G44-L127 WeakPolarHBondContact O-CB 3.41Å; A45-L127 PolarHBondContact O-N 2.81Å; P101-L127 HydrophobicContact CB-CD1 3.85Å; P101-L127 HydrophobicContact CG-CD1 3.73Å; L116-L127 HydrophobicContact CB-CD2 4.23Å; L116-L127 HydrophobicContact CD1-CD1 4.39Å; E118-L127 HydrophobicContact CB-CD2 3.77Å; D123-L127 PolarHBondContact O-N 3.2Å; Y124-L127 PolarHBondContact O-N 3.19Å; L127-S129 VanDerWaalsContact C-N 3.26Å; L127-S129 PolarHBondContact O-N 3.14Å; L127-E130 WeakPolarHBondContact O-CB 3.27Å; L127-E130 PolarHBondContact O-N 2.79Å; L127-E130 VanDerWaalsContact O-N 3.13Å; L127-F131 HydrophobicContact CD1-CD2 4.28Å; L127-F131 HydrophobicContact CD1-CE2 3.88Å; L127-F131 WeakPolarHBondContact O-CD2 3.42Å; L127-V139 HydrophobicContact CB-CG1 4.41Å; L127-V139 HydrophobicContact CD2-CG1 3.63Å; L127-V139 HydrophobicContact CG-CG1 3.74Å
128R98.6Very high97.8Very high141 Ų14167.1 Ų67.153%0.53234%0.343SS..Hα-helixtrans-57.9-41.1177.8-175179.2176.1-165.90.3111.2Y124 L126 E130 F131 Q132 V139Y124-R128 WeakPolarHBondContact O-CB 3.47Å; Y124-R128 PolarHBondContact O-N 3.31Å; L126-R128 VanDerWaalsContact C-N 3.33Å; L126-R128 PolarHBondContact O-N 2.78Å; R128-E130 VanDerWaalsContact C-N 3.26Å; R128-E130 PolarHBondContact O-N 2.84Å; R128-F131 PolarHBondContact O-N 2.79Å; R128-Q132 WeakPolarHBondContact O-CG 3.37Å; R128-Q132 PolarHBondContact O-N 3.4Å; R128-V139 HydrophobicContact CB-CG1 4.33Å
129S98.4Very high97.8Very high56 Ų5667 Ų6739%0.39234%0.344SS..Hα-helixtrans-61.9-32.1179.5800000113.3P125 L126 L127 F131P125-S129 PolarHBondContact O-N 2.86Å; L126-S129 WeakPolarHBondContact O-CB 3.37Å; L126-S129 PolarHBondContact O-N 2.72Å; L126-S129 PolarHBondContact O-OG 3.44Å; L127-S129 VanDerWaalsContact C-N 3.26Å; L127-S129 PolarHBondContact O-N 3.14Å; S129-F131 PolarHBondContact O-N 3.15Å
130E98.6Very high97.9Very high29 Ų2965.8 Ų65.814%0.13634%0.336CS..Hα-helixtrans-66-22.6177.2-67.6-61.7164.500114.1R47 L102 R105 L126 L127 R128R47-E130 WeakPolarHBondContact CD-OE1 3.29Å; R47-E130 WeakPolarHBondContact CG-OE1 3.28Å; R47-E130 IonicContact CZ-OE1 3.74Å; R47-E130 VanDerWaalsContact CZ-OE1 3.3Å; R47-E130 IonicContact CZ-OE2 2.91Å; R47-E130 IonicContact NE-OE1 3.81Å; R47-E130 PolarHBondContact NE-OE1 2.84Å; R47-E130 IonicContact NE-OE2 3.96Å; R47-E130 PolarHBondContact NE-OE2 3.33Å; R47-E130 IonicContact NH2-OE1 3.09Å; R47-E130 PolarHBondContact NH2-OE1 3.06Å; R47-E130 IonicContact NH2-OE2 3.27Å; R47-E130 PolarHBondContact NH2-OE2 3.26Å; L102-E130 HydrophobicContact CD1-CG 4.48Å; L102-E130 HydrophobicContact CD2-CB 4.03Å; L102-E130 HydrophobicContact CD2-CG 4.25Å; R105-E130 PolarHBondContact NH1-O 2.93Å; R105-E130 IonicContact NH1-OE2 3.42Å; R105-E130 PolarHBondContact NH1-OE2 3.4Å; L126-E130 PolarHBondContact O-N 2.64Å; L127-E130 WeakPolarHBondContact O-CB 3.27Å; L127-E130 PolarHBondContact O-N 2.79Å; L127-E130 VanDerWaalsContact O-N 3.13Å; R128-E130 VanDerWaalsContact C-N 3.26Å; R128-E130 PolarHBondContact O-N 2.84Å
131F98.7Very high98Very high10 Ų1070.1 Ų70.14%0.04436%0.355CS..Hα-helixtrans-119.55.2-172.5-67.8-83.4000113.8P101 L102 R105 L114 L116 L127 R128 S129 K133 D134 A137 V139P101-F131 HydrophobicContact CB-CE2 3.75Å; P101-F131 HydrophobicContact CB-CZ 3.74Å; P101-F131 WeakPolarHBondContact O-CZ 3.3Å; L102-F131 HydrophobicContact CD2-CE2 4.4Å; L102-F131 HydrophobicContact CD2-CZ 4.22Å; R105-F131 HydrophobicContact CB-CE1 3.68Å; R105-F131 HydrophobicContact CB-CZ 4.01Å; R105-F131 HydrophobicContact CG-CD1 4.25Å; R105-F131 HydrophobicContact CG-CE1 3.58Å; R105-F131 HydrophobicContact CG-CZ 4.32Å; L114-F131 HydrophobicContact CD2-CE1 3.9Å; L114-F131 HydrophobicContact CD2-CZ 4.36Å; L116-F131 HydrophobicContact CD1-CD1 4.27Å; L116-F131 HydrophobicContact CD1-CD2 3.68Å; L116-F131 HydrophobicContact CD1-CE1 3.93Å; L116-F131 HydrophobicContact CD1-CE2 3.33Å; L116-F131 HydrophobicContact CD1-CG 4.15Å; L116-F131 HydrophobicContact CD1-CZ 3.46Å; L116-F131 VanDerWaalsContact CD1-CZ 3.46Å; L127-F131 HydrophobicContact CD1-CD2 4.28Å; L127-F131 HydrophobicContact CD1-CE2 3.88Å; L127-F131 WeakPolarHBondContact O-CD2 3.42Å; R128-F131 PolarHBondContact O-N 2.79Å; S129-F131 PolarHBondContact O-N 3.15Å; F131-K133 PolarHBondContact O-N 2.89Å; F131-D134 HydrophobicContact CD1-CB 4.25Å; F131-D134 PolarHBondContact O-N 2.68Å; F131-A137 HydrophobicContact CB-CB 3.92Å; F131-A137 HydrophobicContact CD1-CB 3.34Å; F131-A137 HydrophobicContact CE1-CB 4.1Å; F131-A137 HydrophobicContact CG-CB 3.85Å; F131-V139 HydrophobicContact CB-CG2 3.84Å; F131-V139 HydrophobicContact CD2-CG2 4.02Å; F131-V139 HydrophobicContact CG-CG2 4.13Å
132Q97.8Very high98.2Very high143 Ų14367.9 Ų67.967%0.66834%0.343SS*.THydrogen-bonded Turntrans-56.5-27.2178.8-78.5175.410.500113.8R128R128-Q132 WeakPolarHBondContact O-CG 3.37Å; R128-Q132 PolarHBondContact O-N 3.4Å
133K97.8Very high98.2Very high211 Ų21168.6 Ų68.692%0.91734%0.342SS*.THydrogen-bonded Turntrans-107.310.6-178.6-60.5-174.7179.4-178.90113.4F131F131-K133 PolarHBondContact O-N 2.89Å
134D98.5Very high98.3Very high23 Ų2368.2 Ų68.212%0.12334%0.34CS..  trans-120.199.1-178.9-167.6-18.8000110R105 F131 R136 A137R105-D134 WeakPolarHBondContact CG-OD2 3.16Å; F131-D134 HydrophobicContact CD1-CB 4.25Å; F131-D134 PolarHBondContact O-N 2.68Å; D134-R136 PolarHBondContact O-N 3.29Å; D134-R136 VanDerWaalsContact O-N 3.15Å; D134-R136 VanDerWaalsContact OD1-CB 3.23Å; D134-R136 WeakPolarHBondContact OD1-CB 3.45Å; D134-R136 WeakPolarHBondContact OD1-CG 3.46Å; D134-R136 IonicContact OD1-CZ 3.79Å; D134-R136 PolarHBondContact OD1-N 3.13Å; D134-R136 VanDerWaalsContact OD1-N 3.12Å; D134-R136 IonicContact OD1-NE 2.89Å; D134-R136 PolarHBondContact OD1-NE 2.82Å; D134-R136 IonicContact OD1-NH2 3.82Å; D134-R136 IonicContact OD2-CZ 3.44Å; D134-R136 IonicContact OD2-NE 3.32Å; D134-R136 PolarHBondContact OD2-NE 3.28Å; D134-R136 IonicContact OD2-NH2 2.74Å; D134-R136 PolarHBondContact OD2-NH2 3.16Å; D134-A137 PolarHBondContact O-N 3.36Å; D134-A137 VanDerWaalsContact O-N 3.16Å
135S98.2Very high98.3Very high130 Ų13067.8 Ų67.891%0.90934%0.339SS*.THydrogen-bonded Turntrans-67.3-11.4-177.855.90000113.9A137S135-A137 PolarHBondContact O-N 2.91Å
136R98.7Very high98.3Very high54 Ų5468.9 Ų68.920%0.20434%0.339CS..THydrogen-bonded Turntrans-71.4-20.2175-56.6175.5-63.6166.31.6111.9R105 L108 R109 S113 L114 D134R105-R136 PolarHBondContact O-NH2 3.4Å; L108-R136 PolarHBondContact O-NH1 2.62Å; R109-R136 WeakPolarHBondContact O-CD 3.14Å; R109-R136 PolarHBondContact O-NH1 3.3Å; S113-R136 WeakPolarHBondContact CA-O 3.09Å; L114-R136 HydrophobicContact CD1-CB 3.86Å; L114-R136 PolarHBondContact N-O 3.27Å; D134-R136 PolarHBondContact O-N 3.29Å; D134-R136 VanDerWaalsContact O-N 3.15Å; D134-R136 VanDerWaalsContact OD1-CB 3.23Å; D134-R136 WeakPolarHBondContact OD1-CB 3.45Å; D134-R136 WeakPolarHBondContact OD1-CG 3.46Å; D134-R136 IonicContact OD1-CZ 3.79Å; D134-R136 PolarHBondContact OD1-N 3.13Å; D134-R136 VanDerWaalsContact OD1-N 3.12Å; D134-R136 IonicContact OD1-NE 2.89Å; D134-R136 PolarHBondContact OD1-NE 2.82Å; D134-R136 IonicContact OD1-NH2 3.82Å; D134-R136 IonicContact OD2-CZ 3.44Å; D134-R136 IonicContact OD2-NE 3.32Å; D134-R136 PolarHBondContact OD2-NE 3.28Å; D134-R136 IonicContact OD2-NH2 2.74Å; D134-R136 PolarHBondContact OD2-NH2 3.16Å
137A98.8Very high98.3Very high23 Ų2365.4 Ų65.419%0.1932%0.32CS..EExtended strand (participates in β ladder)trans-106.6139.2-169.600000113.5L114 F131 D134 S135L114-A137 HydrophobicContact CB-CB 3.95Å; L114-A137 HydrophobicContact CD1-CB 4.33Å; L114-A137 CarbonylContact O-C 3.57Å; L114-A137 WeakPolarHBondContact O-CA 3.49Å; F131-A137 HydrophobicContact CB-CB 3.92Å; F131-A137 HydrophobicContact CD1-CB 3.34Å; F131-A137 HydrophobicContact CE1-CB 4.1Å; F131-A137 HydrophobicContact CG-CB 3.85Å; D134-A137 PolarHBondContact O-N 3.36Å; D134-A137 VanDerWaalsContact O-N 3.16Å; S135-A137 PolarHBondContact O-N 2.91Å
138R98.8Very high98.3Very high137 Ų13765.4 Ų65.452%0.51732%0.32SS..EExtended strand (participates in β ladder)trans-117.5120.1166177.9171.7168.31543.7108.9L114 Q115 L116 E140L114-R138 PolarHBondContact O-N 3.42Å; Q115-R138 WeakPolarHBondContact CA-O 3.24Å; Q115-R138 HydrophobicContact CG-CB 4.48Å; L116-R138 PolarHBondContact N-O 3.4Å; R138-E140 HydrophobicContact CG-CG 4.07Å; R138-E140 IonicContact CZ-OE1 2.65Å; R138-E140 IonicContact CZ-OE2 3.41Å; R138-E140 IonicContact NE-OE1 2.64Å; R138-E140 PolarHBondContact NE-OE1 3.44Å; R138-E140 IonicContact NE-OE2 2.89Å; R138-E140 PolarHBondContact NE-OE2 3.03Å; R138-E140 VanDerWaalsContact NH2-CD 3.34Å; R138-E140 IonicContact NH2-OE1 3.33Å; R138-E140 PolarHBondContact NH2-OE1 3.25Å; R138-E140 IonicContact NH2-OE2 3.29Å; R138-E140 PolarHBondContact NH2-OE2 2.93Å
139V98.8Very high98.3Very high24 Ų2462.9 Ų62.915%0.14531%0.313CS..EExtended strand (participates in β ladder)trans-110.8124.4178.8-171.10000109.2L116 Y124 L127 R128 F131L116-V139 HydrophobicContact CB-CG2 4.37Å; L116-V139 HydrophobicContact CD1-CG2 4.08Å; L116-V139 WeakPolarHBondContact O-CA 3.2Å; Y124-V139 HydrophobicContact CD2-CG1 4.18Å; Y124-V139 HydrophobicContact CE2-CG1 3.93Å; L127-V139 HydrophobicContact CB-CG1 4.41Å; L127-V139 HydrophobicContact CD2-CG1 3.63Å; L127-V139 HydrophobicContact CG-CG1 3.74Å; R128-V139 HydrophobicContact CB-CG1 4.33Å; F131-V139 HydrophobicContact CB-CG2 3.84Å; F131-V139 HydrophobicContact CD2-CG2 4.02Å; F131-V139 HydrophobicContact CG-CG2 4.13Å
140E98.7Very high98.3Very high43 Ų4363.1 Ų63.120%0.20132%0.318CS..EExtended strand (participates in β ladder)trans-127.4140.3-177.2-62.9-179.8-10600111.6L116 T117 E118 Y124 R138 A142 K151L116-E140 PolarHBondContact O-N 3.09Å; T117-E140 WeakPolarHBondContact CA-O 3.32Å; T117-E140 HydrophobicContact CG2-CB 4.04Å; E118-E140 PolarHBondContact N-O 3.48Å; Y124-E140 VanDerWaalsContact CE2-C 3.46Å; R138-E140 HydrophobicContact CG-CG 4.07Å; R138-E140 IonicContact CZ-OE1 2.65Å; R138-E140 IonicContact CZ-OE2 3.41Å; R138-E140 IonicContact NE-OE1 2.64Å; R138-E140 PolarHBondContact NE-OE1 3.44Å; R138-E140 IonicContact NE-OE2 2.89Å; R138-E140 PolarHBondContact NE-OE2 3.03Å; R138-E140 VanDerWaalsContact NH2-CD 3.34Å; R138-E140 IonicContact NH2-OE1 3.33Å; R138-E140 PolarHBondContact NH2-OE1 3.25Å; R138-E140 IonicContact NH2-OE2 3.29Å; R138-E140 PolarHBondContact NH2-OE2 2.93Å; E140-A142 HydrophobicContact CB-CB 4.4Å; E140-A142 PolarHBondContact O-N 3.48Å; E140-K151 WeakPolarHBondContact OE1-CE 3.34Å; E140-K151 IonicContact OE1-NZ 2.68Å; E140-K151 PolarHBondContact OE1-NZ 2.72Å; E140-K151 IonicContact OE2-NZ 3.56Å
141K98.4Very high98.3Very high109 Ų10963.4 Ų63.447%0.47432%0.319SS..  trans-87.383.7169.1-166.1-178.3-178.1-175.40109.2E118 L119 Y124E118-K141 WeakPolarHBondContact O-CA 3.47Å; E118-K141 WeakPolarHBondContact O-CG 3.39Å; L119-K141 WeakPolarHBondContact O-CE 3.36Å; Y124-K141 HydrophobicContact CD1-CB 3.84Å; Y124-K141 HydrophobicContact CD1-CD 3.89Å; Y124-K141 HydrophobicContact CD1-CG 4.1Å; Y124-K141 HydrophobicContact CD2-CB 3.66Å; Y124-K141 HydrophobicContact CD2-CG 4.26Å; Y124-K141 HydrophobicContact CE1-CB 3.85Å; Y124-K141 HydrophobicContact CE1-CD 4.38Å; Y124-K141 HydrophobicContact CE2-CB 3.69Å; Y124-K141 HydrophobicContact CG-CB 3.73Å; Y124-K141 HydrophobicContact CG-CD 4.17Å; Y124-K141 HydrophobicContact CG-CG 3.92Å
142A97.9Very high98.3Very high27 Ų2763.4 Ų63.422%0.22332%0.32CS..SBendtrans-149.6166.5-173.900000111.3T117 L119 E140 G144T117-A142 HydrophobicContact CG2-CB 4.19Å; L119-A142 VanDerWaalsContact CD2-C 3.46Å; L119-A142 WeakPolarHBondContact CG-O 3.48Å; E140-A142 HydrophobicContact CB-CB 4.4Å; E140-A142 PolarHBondContact O-N 3.48Å; A142-G144 PolarHBondContact O-N 3.22Å
143D97.2Very high98.3Very high75 Ų7559 Ų5940%0.40130%0.303SS..  trans-63.2124.1173178.8-4.8000110.7F145 Q146 Q147D143-F145 PolarHBondContact OD1-N 3.05Å; D143-Q146 HydrophobicContact CB-CB 4.14Å; D143-Q146 PolarHBondContact O-N 3.37Å; D143-Q147 PolarHBondContact O-NE2 3.32Å
144G97.8Very high98.3Very high1 Ų149.4 Ų49.41%0.0126%0.262CS..Hα-helixtrans-62.6-41.2178.200000114T41 T117 A142 Q146 Q147T41-G144 WeakPolarHBondContact CG2-O 3.41Å; T41-G144 WeakPolarHBondContact O-CA 2.96Å; T117-G144 WeakPolarHBondContact OG1-CA 3.29Å; A142-G144 PolarHBondContact O-N 3.22Å; G144-Q146 VanDerWaalsContact C-N 3.26Å; G144-Q146 PolarHBondContact O-N 3.39Å; G144-Q147 VanDerWaalsContact O-CB 3.3Å; G144-Q147 WeakPolarHBondContact O-CB 3.21Å; G144-Q147 PolarHBondContact O-N 2.86Å
145F98Very high98.3Very high33 Ų3355.1 Ų55.115%0.14530%0.298CS..Hα-helixtrans-65.4-34.1179.9-65.8-67.6000111.4H42 D143 Q147 L148 I163 P165 A175 V176H42-F145 AromaticContact CE1-CE1 3.97Å; H42-F145 AromaticContact CE1-CE2 3.67Å; H42-F145 AromaticContact CE1-CZ 3.62Å; H42-F145 AromaticContact NE2-CE2 3.63Å; H42-F145 AromaticContact NE2-CZ 3.98Å; D143-F145 PolarHBondContact OD1-N 3.05Å; F145-Q147 PolarHBondContact O-N 2.96Å; F145-L148 HydrophobicContact CD1-CD1 4.39Å; F145-L148 WeakPolarHBondContact O-CB 3.37Å; F145-L148 PolarHBondContact O-N 3.33Å; F145-I163 HydrophobicContact CE1-CG2 4.27Å; F145-P165 HydrophobicContact CZ-CB 4.02Å; F145-P165 HydrophobicContact CZ-CG 4.2Å; F145-A175 HydrophobicContact CD1-CB 4.21Å; F145-A175 HydrophobicContact CD2-CB 4.08Å; F145-A175 HydrophobicContact CE1-CB 3.89Å; F145-A175 HydrophobicContact CE2-CB 3.72Å; F145-A175 HydrophobicContact CG-CB 4.3Å; F145-A175 HydrophobicContact CZ-CB 3.62Å; F145-V176 HydrophobicContact CE1-CB 4.41Å; F145-V176 HydrophobicContact CE1-CG1 3.76Å; F145-V176 HydrophobicContact CZ-CG1 3.99Å
146Q98.2Very high98.3Very high92 Ų9250.5 Ų50.543%0.4327%0.266SS..Hα-helixtrans-65.5-24.5175.6-174.358.52100112.5D143 G144 L148 K149 A150D143-Q146 HydrophobicContact CB-CB 4.14Å; D143-Q146 PolarHBondContact O-N 3.37Å; G144-Q146 VanDerWaalsContact C-N 3.26Å; G144-Q146 PolarHBondContact O-N 3.39Å; Q146-L148 VanDerWaalsContact C-N 3.27Å; Q146-L148 PolarHBondContact O-N 2.92Å; Q146-K149 PolarHBondContact O-N 3.29Å; Q146-K149 VanDerWaalsContact O-N 3.17Å; Q146-A150 PolarHBondContact O-N 3.27Å
147Q98.5Very high98.3Very high12 Ų1255 Ų556%0.05628%0.283CS..Hα-helixtrans-66.6-30.3176.9-51.4-45.1-52.600112.2L39 T117 D143 G144 F145 K149 A150 K151L39-Q147 HydrophobicContact CD1-CB 4.3Å; T117-Q147 HydrophobicContact CG2-CG 3.48Å; T117-Q147 VanDerWaalsContact CG2-CG 3.48Å; D143-Q147 PolarHBondContact O-NE2 3.32Å; G144-Q147 VanDerWaalsContact O-CB 3.3Å; G144-Q147 WeakPolarHBondContact O-CB 3.21Å; G144-Q147 PolarHBondContact O-N 2.86Å; F145-Q147 PolarHBondContact O-N 2.96Å; Q147-K149 PolarHBondContact O-N 2.92Å; Q147-K149 VanDerWaalsContact O-N 3.13Å; Q147-A150 PolarHBondContact O-N 3.11Å; Q147-K151 HydrophobicContact CB-CG 4.04Å; Q147-K151 VanDerWaalsContact O-CB 3.24Å; Q147-K151 WeakPolarHBondContact O-CB 3.47Å; Q147-K151 PolarHBondContact O-N 3.36Å
148L98.5Very high98.3Very high0 Ų055.6 Ų55.60%028%0.28CS..Hα-helixtrans-61.7-23176.2-57.8172.5000112.3L39 T41 F145 Q146 L152 I161 I163 G179 G183L39-L148 HydrophobicContact CD2-CD2 4.12Å; T41-L148 HydrophobicContact CG2-CD1 4.5Å; T41-L148 HydrophobicContact CG2-CD2 3.84Å; T41-L148 HydrophobicContact CG2-CG 4.07Å; F145-L148 HydrophobicContact CD1-CD1 4.39Å; F145-L148 WeakPolarHBondContact O-CB 3.37Å; F145-L148 PolarHBondContact O-N 3.33Å; Q146-L148 VanDerWaalsContact C-N 3.27Å; Q146-L148 PolarHBondContact O-N 2.92Å; L148-L152 HydrophobicContact CD2-CD1 4.25Å; L148-I161 HydrophobicContact CD2-CG2 3.47Å; L148-I161 VanDerWaalsContact CD2-CG2 3.47Å; L148-I163 HydrophobicContact CD1-CD1 3.93Å; L148-I163 HydrophobicContact CD2-CD1 4.1Å; L148-I163 HydrophobicContact CD2-CG1 4.39Å; L148-G179 VanDerWaalsContact CD1-C 3.4Å; L148-G179 WeakPolarHBondContact CD1-O 3.47Å; L148-G183 WeakPolarHBondContact O-CA 3.38Å
149K98.3Very high98.3Very high89 Ų8949.2 Ų49.239%0.38726%0.257SS..Hα-helixtrans-92.7-44.5171.6-65.9175.3-178.7171.10112.7Q146 Q147 E182Q146-K149 PolarHBondContact O-N 3.29Å; Q146-K149 VanDerWaalsContact O-N 3.17Å; Q147-K149 PolarHBondContact O-N 2.92Å; Q147-K149 VanDerWaalsContact O-N 3.13Å; K149-E182 VanDerWaalsContact CE-CG 3.5Å; K149-E182 HydrophobicContact CG-CB 4.02Å; K149-E182 HydrophobicContact CG-CG 4.45Å
150A97.9Very high98.3Very high61 Ų6148 Ų4850%0.50425%0.25SC..Hα-helixtrans-79.2-24.9-16900000113.8Q146 Q147Q146-A150 PolarHBondContact O-N 3.27Å; Q147-A150 PolarHBondContact O-N 3.11Å
151K98.2Very high98.3Very high35 Ų3546.1 Ų46.115%0.15224%0.241CC..SBendtrans-114.8-6.2-168.4-61.3-52.2-156.7-72.60114.5L39 E140 Q147L39-K151 HydrophobicContact CD1-CB 3.5Å; L39-K151 HydrophobicContact CD1-CG 4.15Å; E140-K151 WeakPolarHBondContact OE1-CE 3.34Å; E140-K151 IonicContact OE1-NZ 2.68Å; E140-K151 PolarHBondContact OE1-NZ 2.72Å; E140-K151 IonicContact OE2-NZ 3.56Å; Q147-K151 HydrophobicContact CB-CG 4.04Å; Q147-K151 VanDerWaalsContact O-CB 3.24Å; Q147-K151 WeakPolarHBondContact O-CB 3.47Å; Q147-K151 PolarHBondContact O-N 3.36Å
152L98.6Very high98.3Very high10 Ų1040.9 Ų40.95%0.05222%0.218CC..  trans-112.3140.1-179.9-58-179000110.7L37 L39 L148 I161 R186 F187 Y192L37-L152 HydrophobicContact CD2-CD2 4.44Å; L39-L152 HydrophobicContact CD1-CD2 4.34Å; L148-L152 HydrophobicContact CD2-CD1 4.25Å; L152-I161 HydrophobicContact CD1-CG1 4.13Å; L152-I161 HydrophobicContact CD2-CD1 4.27Å; L152-I161 HydrophobicContact CD2-CG1 4.04Å; L152-R186 HydrophobicContact CB-CB 4.32Å; L152-R186 WeakPolarHBondContact O-CD 3.43Å; L152-F187 HydrophobicContact CB-CB 4.15Å; L152-F187 HydrophobicContact CD2-CD1 4.07Å; L152-Y192 HydrophobicContact CD1-CE1 3.9Å
153P98.6Very high98.4Very high49 Ų4939.6 Ų39.632%0.31821%0.207SC..SBendcis-77147.6-2.130.8-33.7000113.1R157 F187P153-R157 PolarHBondContact O-NH1 2.95Å; P153-F187 HydrophobicContact CB-CB 3.91Å; P153-F187 HydrophobicContact CB-CD2 4.05Å; P153-F187 HydrophobicContact CB-CG 4.11Å
154P98.3Very high98.4Very high10 Ų1036.8 Ų36.87%0.06519%0.192CC..  trans-64.7152.1173.628.4-34.3000111L37 S156 R157 F187L37-P154 HydrophobicContact CB-CB 3.69Å; L37-P154 HydrophobicContact CB-CG 4.2Å; L37-P154 HydrophobicContact CD2-CB 3.76Å; L37-P154 HydrophobicContact CD2-CG 4.43Å; L37-P154 HydrophobicContact CG-CB 4.36Å; P154-S156 PolarHBondContact O-N 2.9Å; P154-R157 PolarHBondContact O-N 2.74Å; P154-R157 PolarHBondContact O-NH1 3.38Å; P154-F187 HydrophobicContact CG-CD1 4.27Å; P154-F187 HydrophobicContact CG-CE1 3.83Å; P154-F187 HydrophobicContact CG-CE2 4.49Å; P154-F187 HydrophobicContact CG-CZ 3.98Å
155V98.2Very high98.4Very high144 Ų14436.8 Ų36.887%0.87319%0.192SC*.THydrogen-bonded Turntrans-56.1-38.2176179.30000111.3R157V155-R157 PolarHBondContact O-N 3.33Å
156S97.9Very high98.2Very high33 Ų3337.3 Ų37.323%0.23120%0.199CC..THydrogen-bonded Turntrans-67.6-15.7177.959.20000114.7P35 P154 R158P35-S156 WeakPolarHBondContact O-CB 3.34Å; P154-S156 PolarHBondContact O-N 2.9Å; S156-R158 PolarHBondContact O-N 2.81Å; S156-R158 VanDerWaalsContact O-N 3.12Å; S156-R158 PolarHBondContact OG-O 2.99Å; S156-R158 VanDerWaalsContact OG-O 3.09Å
157R98.4Very high98.1Very high148 Ų14834 Ų3456%0.55818%0.182SC*.SBendtrans55.222.8-174.3-54.8-64-174.7-120.36.1114.1P153 P154 V155 F187P153-R157 PolarHBondContact O-NH1 2.95Å; P154-R157 PolarHBondContact O-N 2.74Å; P154-R157 PolarHBondContact O-NH1 3.38Å; V155-R157 PolarHBondContact O-N 3.33Å; R157-F187 WeakPolarHBondContact O-CE2 3.2Å
158R98.8Very high97.7Very high35 Ų3536.8 Ų36.813%0.13220%0.195CC..  trans-136.7142.6174.4-58.9-175.368.2-139.3-3.8108.6L29 K32 K34 F36 L37 S156L29-R158 VanDerWaalsContact O-CZ 3.3Å; L29-R158 PolarHBondContact O-NH1 3.41Å; L29-R158 PolarHBondContact O-NH2 2.9Å; K32-R158 PolarHBondContact O-NH1 3.13Å; K34-R158 PolarHBondContact O-NH1 3.04Å; F36-R158 WeakPolarHBondContact CA-O 3.49Å; F36-R158 HydrophobicContact CB-CB 3.56Å; L37-R158 PolarHBondContact N-O 3.22Å; S156-R158 PolarHBondContact O-N 2.81Å; S156-R158 VanDerWaalsContact O-N 3.12Å; S156-R158 PolarHBondContact OG-O 2.99Å; S156-R158 VanDerWaalsContact OG-O 3.09Å
159G98.7Very high97.3Very high3 Ų341.9 Ų41.93%0.03122%0.221CC..EExtended strand (participates in β ladder)trans-180159.7172.700000116L37 T191L37-G159 CarbonylContact O-C 3.52Å; L37-G159 WeakPolarHBondContact O-CA 3.35Å; G159-T191 PolarHBondContact O-N 3.03Å; G159-T191 VanDerWaalsContact O-N 3.07Å
160L98.9Very high96.9Very high0 Ų045.7 Ų45.70%024%0.237CC..EExtended strand (participates in β ladder)trans-104.3126.6164168.856.1000107.9Q22 I25 I26 L29 L37 Y38 L39 T191 A193Q22-L160 HydrophobicContact CG-CD2 4.11Å; I25-L160 HydrophobicContact CB-CD2 4.17Å; I25-L160 HydrophobicContact CD1-CD1 4.18Å; I25-L160 HydrophobicContact CG2-CB 4.25Å; I25-L160 HydrophobicContact CG2-CD1 3.86Å; I25-L160 HydrophobicContact CG2-CD2 3.95Å; I25-L160 HydrophobicContact CG2-CG 4.23Å; I26-L160 HydrophobicContact CD1-CD2 4.3Å; I26-L160 HydrophobicContact CG1-CD2 3.76Å; L29-L160 HydrophobicContact CD1-CB 3.75Å; L37-L160 PolarHBondContact O-N 3.45Å; Y38-L160 WeakPolarHBondContact CA-O 3.46Å; Y38-L160 HydrophobicContact CD2-CB 4.3Å; Y38-L160 HydrophobicContact CD2-CD2 3.92Å; Y38-L160 HydrophobicContact CD2-CG 4.06Å; Y38-L160 HydrophobicContact CE2-CD2 3.93Å; Y38-L160 HydrophobicContact CE2-CG 4.21Å; L39-L160 PolarHBondContact N-O 3.36Å; L160-T191 WeakPolarHBondContact CA-O 3.32Å; L160-T191 HydrophobicContact CD1-CG2 4.31Å; L160-A193 HydrophobicContact CD1-CB 3.81Å
161I98.9Very high96.7Very high2 Ų246.8 Ų46.81%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-111.8107.3175.3-64.787.6000107.6L39 L148 L152 I163 F187 T191 Y192 A193L39-I161 HydrophobicContact CB-CG1 4.21Å; L39-I161 HydrophobicContact CD2-CG2 3.78Å; L39-I161 CarbonylContact O-C 3.57Å; L39-I161 WeakPolarHBondContact O-CA 3.4Å; L148-I161 HydrophobicContact CD2-CG2 3.47Å; L148-I161 VanDerWaalsContact CD2-CG2 3.47Å; L152-I161 HydrophobicContact CD1-CG1 4.13Å; L152-I161 HydrophobicContact CD2-CD1 4.27Å; L152-I161 HydrophobicContact CD2-CG1 4.04Å; I161-I163 HydrophobicContact CG2-CD1 4.21Å; I161-I163 HydrophobicContact CG2-CG1 3.97Å; I161-F187 HydrophobicContact CD1-CD1 3.96Å; I161-F187 HydrophobicContact CD1-CE1 3.94Å; I161-T191 PolarHBondContact N-O 3.06Å; I161-Y192 HydrophobicContact CB-CD1 3.67Å; I161-Y192 HydrophobicContact CB-CE1 4.03Å; I161-Y192 HydrophobicContact CB-CG 4.32Å; I161-Y192 HydrophobicContact CD1-CD1 4.31Å; I161-Y192 HydrophobicContact CD1-CE1 4.04Å; I161-Y192 HydrophobicContact CG1-CD1 4.15Å; I161-Y192 HydrophobicContact CG1-CE1 3.99Å; I161-Y192 HydrophobicContact CG2-CD1 3.7Å; I161-Y192 HydrophobicContact CG2-CE1 4.07Å; I161-Y192 WeakPolarHBondContact O-CA 3.46Å; I161-A193 PolarHBondContact O-N 3.4Å
162L99Very high96.6Very high0 Ų045.9 Ų45.90%024%0.235CC..EExtended strand (participates in β ladder)trans-90.1126.1174.7-174.366.9000110.4Y38 L39 T41 S100 D164 A193 M240Y38-L162 HydrophobicContact CE2-CB 4.28Å; Y38-L162 VanDerWaalsContact OH-CD2 3.23Å; Y38-L162 WeakPolarHBondContact OH-CD2 3.47Å; L39-L162 PolarHBondContact O-N 2.84Å; T41-L162 PolarHBondContact N-O 3.49Å; T41-L162 VanDerWaalsContact N-O 3.1Å; T41-L162 PolarHBondContact OG1-O 2.92Å; S100-L162 VanDerWaalsContact CB-CD2 3.42Å; L162-D164 HydrophobicContact CG-CB 4.32Å; L162-A193 WeakPolarHBondContact CA-O 3.29Å; L162-A193 HydrophobicContact CD1-CB 4.15Å; L162-M240 HydrophobicContact CD1-CE 3.96Å
163I98.9Very high96.6Very high0 Ų046 Ų460%024%0.235CC..EExtended strand (participates in β ladder)trans-120.4104.2178.3-50.9174.3000107.9T41 F145 L148 I161 V176 I180 A193 L194 W195T41-I163 HydrophobicContact CG2-CG1 4.23Å; T41-I163 WeakPolarHBondContact OG1-CA 3.37Å; F145-I163 HydrophobicContact CE1-CG2 4.27Å; L148-I163 HydrophobicContact CD1-CD1 3.93Å; L148-I163 HydrophobicContact CD2-CD1 4.1Å; L148-I163 HydrophobicContact CD2-CG1 4.39Å; I161-I163 HydrophobicContact CG2-CD1 4.21Å; I161-I163 HydrophobicContact CG2-CG1 3.97Å; I163-V176 HydrophobicContact CG2-CB 4.47Å; I163-V176 HydrophobicContact CG2-CG1 3.97Å; I163-I180 HydrophobicContact CD1-CD1 4.11Å; I163-I180 HydrophobicContact CD1-CG1 3.43Å; I163-I180 VanDerWaalsContact CD1-CG1 3.43Å; I163-A193 PolarHBondContact N-O 3.27Å; I163-L194 HydrophobicContact CB-CD1 3.97Å; I163-L194 HydrophobicContact CG2-CD1 3.79Å; I163-L194 WeakPolarHBondContact O-CA 3.3Å; I163-L194 WeakPolarHBondContact O-CD1 3.35Å; I163-W195 PolarHBondContact O-N 2.85Å
164D98.4Very high96.5Very high16 Ų1647.6 Ų47.69%0.08624%0.238CC..  trans-136.859.6-170.7-176.134.7000111.3K18 H42 L162 W195K18-D164 HydrophobicContact CD-CB 4.38Å; K18-D164 VanDerWaalsContact CD-OD2 3.3Å; K18-D164 WeakPolarHBondContact CD-OD2 3.32Å; K18-D164 WeakPolarHBondContact CE-OD2 3.41Å; K18-D164 IonicContact NZ-OD1 3.94Å; K18-D164 PolarHBondContact NZ-OD1 2.83Å; K18-D164 IonicContact NZ-OD2 3.25Å; K18-D164 PolarHBondContact NZ-OD2 2.62Å; H42-D164 WeakPolarHBondContact CB-O 3.23Å; L162-D164 HydrophobicContact CG-CB 4.32Å; D164-W195 HydrophobicContact CB-CB 4.31Å; D164-W195 WeakPolarHBondContact OD1-CB 3.42Å; D164-W195 VanDerWaalsContact OD1-CD2 3.24Å
165P97Very high96.5Very high0 Ų048.2 Ų48.20%024%0.244CC..  trans-68.2159.8179.532.3-35.2000110.7F145 Y167 D172 V176F145-P165 HydrophobicContact CZ-CB 4.02Å; F145-P165 HydrophobicContact CZ-CG 4.2Å; P165-Y167 HydrophobicContact CG-CD2 4.05Å; P165-Y167 HydrophobicContact CG-CE1 4.25Å; P165-Y167 HydrophobicContact CG-CE2 3.61Å; P165-Y167 WeakPolarHBondContact O-CD2 3.22Å; P165-Y167 WeakPolarHBondContact O-CE2 3.39Å; P165-Y167 PolarHBondContact O-N 2.74Å; P165-D172 HydrophobicContact CB-CB 4.45Å; P165-D172 HydrophobicContact CG-CB 4.48Å; P165-V176 HydrophobicContact CG-CG1 3.58Å
166P95Very high96.5Very high44 Ų4441.4 Ų41.429%0.28620%0.202SC..  trans-71.6-16.7179.929.2-36.1000113.9Y4 E168Y4-P166 HydrophobicContact CD1-CB 3.53Å; Y4-P166 HydrophobicContact CD2-CB 4.13Å; Y4-P166 HydrophobicContact CE1-CB 4.02Å; Y4-P166 HydrophobicContact CG-CB 3.58Å; P166-E168 HydrophobicContact CB-CB 4.45Å; P166-E168 HydrophobicContact CG-CB 4.36Å; P166-E168 PolarHBondContact O-N 2.68Å
167Y95.3Very high96.6Very high22 Ų2240.4 Ų40.49%0.08620%0.195CC..  trans5725.3-171.2-62.3-89.4000113.7P165 M169 D172 Y173 W195 P197 M207P165-Y167 HydrophobicContact CG-CD2 4.05Å; P165-Y167 HydrophobicContact CG-CE1 4.25Å; P165-Y167 HydrophobicContact CG-CE2 3.61Å; P165-Y167 WeakPolarHBondContact O-CD2 3.22Å; P165-Y167 WeakPolarHBondContact O-CE2 3.39Å; P165-Y167 PolarHBondContact O-N 2.74Å; Y167-M169 VanDerWaalsContact C-N 3.25Å; Y167-M169 PolarHBondContact O-N 3.04Å; Y167-D172 WeakPolarHBondContact CA-OD2 3.32Å; Y167-D172 HydrophobicContact CD1-CB 3.81Å; Y167-D172 HydrophobicContact CE1-CB 4.29Å; Y167-D172 HydrophobicContact CG-CB 4.37Å; Y167-D172 PolarHBondContact N-OD2 3.43Å; Y167-D172 VanDerWaalsContact N-OD2 3.17Å; Y167-Y173 AromaticContact CD1-CD1 3.82Å; Y167-Y173 HydrophobicContact CD1-CD1 3.82Å; Y167-Y173 HydrophobicContact CD1-CD2 4.15Å; Y167-Y173 AromaticContact CD1-CE1 3.6Å; Y167-Y173 HydrophobicContact CD1-CE1 3.6Å; Y167-Y173 AromaticContact CD1-CE2 3.96Å; Y167-Y173 HydrophobicContact CD1-CE2 3.96Å; Y167-Y173 HydrophobicContact CD1-CG 4.08Å; Y167-Y173 AromaticContact CD1-CZ 3.68Å; Y167-Y173 AromaticContact CE1-CD1 3.72Å; Y167-Y173 HydrophobicContact CE1-CD1 3.72Å; Y167-Y173 AromaticContact CE1-CE1 3.79Å; Y167-Y173 HydrophobicContact CE1-CE1 3.79Å; Y167-Y173 HydrophobicContact CE1-CG 4.2Å; Y167-Y173 HydrophobicContact CG-CE1 4.49Å; Y167-W195 HydrophobicContact CD2-CE3 4.19Å; Y167-W195 AromaticContact CD2-CZ3 3.79Å; Y167-W195 HydrophobicContact CD2-CZ3 3.79Å; Y167-W195 AromaticContact CE2-CE3 3.86Å; Y167-W195 HydrophobicContact CE2-CE3 3.86Å; Y167-W195 AromaticContact CE2-CZ3 3.95Å; Y167-W195 HydrophobicContact CE2-CZ3 3.95Å; Y167-W195 WeakPolarHBondContact CE2-O 3.25Å; Y167-W195 PolarHBondContact OH-O 2.97Å; Y167-P197 HydrophobicContact CD2-CG 3.67Å; Y167-P197 HydrophobicContact CE2-CG 4.26Å; Y167-P197 HydrophobicContact CG-CG 3.86Å; Y167-M207 HydrophobicContact CE1-SD 4.47Å
168E89.8Confident96.6Very high71 Ų7136.6 Ų36.633%0.33219%0.191SC..  trans-65.4-35.4172.4-172.8179.4174.700110.2S3 Y4 P166S3-E168 WeakPolarHBondContact CB-OE1 3.13Å; S3-E168 PolarHBondContact N-OE1 3.27Å; S3-E168 PolarHBondContact N-OE2 3.4Å; S3-E168 VanDerWaalsContact N-OE2 3.13Å; S3-E168 PolarHBondContact OG-OE1 3.44Å; Y4-E168 WeakPolarHBondContact CB-OE2 3.19Å; Y4-E168 PolarHBondContact N-OE2 3.12Å; P166-E168 HydrophobicContact CB-CB 4.45Å; P166-E168 HydrophobicContact CG-CB 4.36Å; P166-E168 PolarHBondContact O-N 2.68Å
169M90.6Very high96.6Very high108 Ų10835.2 Ų35.253%0.53219%0.188SC..SBendtrans-98.4129.7176.4-60.3-63.8-73.500109.7Y167 T171 D172Y167-M169 VanDerWaalsContact C-N 3.25Å; Y167-M169 PolarHBondContact O-N 3.04Å; M169-T171 WeakPolarHBondContact CB-OG1 3.33Å; M169-T171 PolarHBondContact O-N 3.34Å; M169-D172 VanDerWaalsContact O-CB 3.27Å; M169-D172 WeakPolarHBondContact O-CB 3.3Å; M169-D172 VanDerWaalsContact O-CG 3.27Å; M169-D172 PolarHBondContact O-N 3.13Å
170K90Very high96.6Very high169 Ų16935.1 Ų35.174%0.73519%0.186SC*.THydrogen-bonded Turntrans-57.4-24.8176.1-66.6-173.4-179.8-178.80113.2D172 Y173 Q174K170-D172 PolarHBondContact O-N 3.32Å; K170-Y173 WeakPolarHBondContact O-CD2 3.49Å; K170-Q174 PolarHBondContact O-OE1 3.26Å
171T94.3Very high96.6Very high83 Ų8336.8 Ų36.851%0.50920%0.2SC..THydrogen-bonded Turntrans-65.8-20.5175.948.10000113.1M169 Y173 Q174 A175M169-T171 WeakPolarHBondContact CB-OG1 3.33Å; M169-T171 PolarHBondContact O-N 3.34Å; T171-Y173 PolarHBondContact O-N 3.16Å; T171-Q174 PolarHBondContact O-N 3.45Å; T171-A175 WeakPolarHBondContact O-CB 3.49Å; T171-A175 PolarHBondContact O-N 3.4Å
172D95.6Very high96.5Very high17 Ų1739 Ų399%0.09121%0.211CC..Hα-helixtrans-60.1-36.2-178.1-67.8-6.7000111.1P165 Y167 M169 K170 Q174 A175 V176P165-D172 HydrophobicContact CB-CB 4.45Å; P165-D172 HydrophobicContact CG-CB 4.48Å; Y167-D172 WeakPolarHBondContact CA-OD2 3.32Å; Y167-D172 HydrophobicContact CD1-CB 3.81Å; Y167-D172 HydrophobicContact CE1-CB 4.29Å; Y167-D172 HydrophobicContact CG-CB 4.37Å; Y167-D172 PolarHBondContact N-OD2 3.43Å; Y167-D172 VanDerWaalsContact N-OD2 3.17Å; M169-D172 VanDerWaalsContact O-CB 3.27Å; M169-D172 WeakPolarHBondContact O-CB 3.3Å; M169-D172 VanDerWaalsContact O-CG 3.27Å; M169-D172 PolarHBondContact O-N 3.13Å; K170-D172 PolarHBondContact O-N 3.32Å; D172-Q174 PolarHBondContact O-N 3.47Å; D172-A175 PolarHBondContact O-N 3.02Å; D172-A175 VanDerWaalsContact O-N 3.14Å; D172-V176 WeakPolarHBondContact O-CG1 3.34Å; D172-V176 WeakPolarHBondContact O-CG2 3.33Å; D172-V176 PolarHBondContact O-N 3.22Å
173Y97.2Very high96.5Very high13 Ų1339 Ų395%0.05121%0.211CC..Hα-helixtrans-59.3-31.8175.3-65.8-77.4000113.2Y167 K170 T171 V176 Q203 I204 M207Y167-Y173 AromaticContact CD1-CD1 3.82Å; Y167-Y173 HydrophobicContact CD1-CD1 3.82Å; Y167-Y173 HydrophobicContact CD1-CD2 4.15Å; Y167-Y173 AromaticContact CD1-CE1 3.6Å; Y167-Y173 HydrophobicContact CD1-CE1 3.6Å; Y167-Y173 AromaticContact CD1-CE2 3.96Å; Y167-Y173 HydrophobicContact CD1-CE2 3.96Å; Y167-Y173 HydrophobicContact CD1-CG 4.08Å; Y167-Y173 AromaticContact CD1-CZ 3.68Å; Y167-Y173 AromaticContact CE1-CD1 3.72Å; Y167-Y173 HydrophobicContact CE1-CD1 3.72Å; Y167-Y173 AromaticContact CE1-CE1 3.79Å; Y167-Y173 HydrophobicContact CE1-CE1 3.79Å; Y167-Y173 HydrophobicContact CE1-CG 4.2Å; Y167-Y173 HydrophobicContact CG-CE1 4.49Å; K170-Y173 WeakPolarHBondContact O-CD2 3.49Å; T171-Y173 PolarHBondContact O-N 3.16Å; Y173-V176 WeakPolarHBondContact O-CG2 3.38Å; Y173-Q203 HydrophobicContact CD1-CB 4.26Å; Y173-Q203 HydrophobicContact CE1-CB 4.03Å; Y173-Q203 HydrophobicContact CE2-CB 4.39Å; Y173-Q203 PolarHBondContact OH-OE1 2.91Å; Y173-I204 HydrophobicContact CD1-CD1 4.24Å; Y173-I204 HydrophobicContact CE1-CD1 3.68Å; Y173-M207 HydrophobicContact CD1-SD 3.97Å
174Q97.6Very high96.5Very high82 Ų8241.6 Ų41.638%0.38322%0.22SC..Hα-helixtrans-88.6-33.6173.6-67.57852.100112.1K170 T171 D172 V176 V177 S178K170-Q174 PolarHBondContact O-OE1 3.26Å; T171-Q174 PolarHBondContact O-N 3.45Å; D172-Q174 PolarHBondContact O-N 3.47Å; Q174-V176 VanDerWaalsContact C-N 3.34Å; Q174-V176 PolarHBondContact O-N 2.83Å; Q174-V177 PolarHBondContact O-N 3.18Å; Q174-S178 PolarHBondContact O-N 3.09Å; Q174-S178 PolarHBondContact O-OG 3.25Å
175A98Very high96.5Very high23 Ų2347.3 Ų47.319%0.1925%0.245CC..Hα-helixtrans-64.4-38.5-179.400000111.7F145 T171 D172 S178 G179F145-A175 HydrophobicContact CD1-CB 4.21Å; F145-A175 HydrophobicContact CD2-CB 4.08Å; F145-A175 HydrophobicContact CE1-CB 3.89Å; F145-A175 HydrophobicContact CE2-CB 3.72Å; F145-A175 HydrophobicContact CG-CB 4.3Å; F145-A175 HydrophobicContact CZ-CB 3.62Å; T171-A175 WeakPolarHBondContact O-CB 3.49Å; T171-A175 PolarHBondContact O-N 3.4Å; D172-A175 PolarHBondContact O-N 3.02Å; D172-A175 VanDerWaalsContact O-N 3.14Å; A175-S178 PolarHBondContact O-OG 2.72Å; A175-G179 WeakPolarHBondContact O-CA 3.37Å; A175-G179 PolarHBondContact O-N 3.28Å
176V98.6Very high96.6Very high0 Ų051.6 Ų51.60%026%0.261CS..Hα-helixtrans-63.3-43.7176.3-63.40000112F145 I163 P165 D172 Y173 Q174 I180 L194 M207F145-V176 HydrophobicContact CE1-CB 4.41Å; F145-V176 HydrophobicContact CE1-CG1 3.76Å; F145-V176 HydrophobicContact CZ-CG1 3.99Å; I163-V176 HydrophobicContact CG2-CB 4.47Å; I163-V176 HydrophobicContact CG2-CG1 3.97Å; P165-V176 HydrophobicContact CG-CG1 3.58Å; D172-V176 WeakPolarHBondContact O-CG1 3.34Å; D172-V176 WeakPolarHBondContact O-CG2 3.33Å; D172-V176 PolarHBondContact O-N 3.22Å; Y173-V176 WeakPolarHBondContact O-CG2 3.38Å; Q174-V176 VanDerWaalsContact C-N 3.34Å; Q174-V176 PolarHBondContact O-N 2.83Å; V176-I180 WeakPolarHBondContact O-CB 3.09Å; V176-I180 WeakPolarHBondContact O-CD1 3.38Å; V176-I180 WeakPolarHBondContact O-CG1 3.45Å; V176-I180 PolarHBondContact O-N 2.88Å; V176-L194 HydrophobicContact CB-CD1 3.73Å; V176-L194 HydrophobicContact CB-CD2 4.19Å; V176-L194 HydrophobicContact CG1-CD1 3.66Å; V176-L194 HydrophobicContact CG2-CD1 4.24Å; V176-L194 HydrophobicContact CG2-CD2 4.04Å; V176-M207 HydrophobicContact CG2-CG 4.14Å; V176-M207 HydrophobicContact CG2-SD 3.66Å
177V98.7Very high96.8Very high12 Ų1249.8 Ų49.87%0.07325%0.249CC..Hα-helixtrans-66.3-50.4-179.9179.10000110.8Q174 G179 I180 A181 M207 D210 L211 T214Q174-V177 PolarHBondContact O-N 3.18Å; V177-G179 VanDerWaalsContact C-N 3.34Å; V177-G179 PolarHBondContact O-N 2.86Å; V177-I180 PolarHBondContact O-N 3.41Å; V177-A181 PolarHBondContact O-N 2.87Å; V177-M207 HydrophobicContact CG2-CG 3.87Å; V177-D210 HydrophobicContact CG1-CB 4.14Å; V177-D210 WeakPolarHBondContact CG1-O 3.35Å; V177-D210 HydrophobicContact CG2-CB 4.23Å; V177-L211 HydrophobicContact CG1-CD1 4.44Å; V177-L211 HydrophobicContact CG2-CB 4.44Å; V177-T214 HydrophobicContact CG1-CG2 3.92Å
178S98.4Very high97Very high69 Ų6950.9 Ų50.948%0.48326%0.262SS..Hα-helixtrans-65.8-36.717957.50000112.7Q174 A175 A181 E182Q174-S178 PolarHBondContact O-N 3.09Å; Q174-S178 PolarHBondContact O-OG 3.25Å; A175-S178 PolarHBondContact O-OG 2.72Å; S178-A181 PolarHBondContact O-N 2.75Å; S178-E182 WeakPolarHBondContact O-CG 3.36Å; S178-E182 PolarHBondContact O-N 2.91Å
179G98.7Very high97.4Very high6 Ų652.7 Ų52.76%0.06228%0.278CS..Hα-helixtrans-62.1-47.8173.200000112.2L148 A175 V177 E182 G183L148-G179 VanDerWaalsContact CD1-C 3.4Å; L148-G179 WeakPolarHBondContact CD1-O 3.47Å; A175-G179 WeakPolarHBondContact O-CA 3.37Å; A175-G179 PolarHBondContact O-N 3.28Å; V177-G179 VanDerWaalsContact C-N 3.34Å; V177-G179 PolarHBondContact O-N 2.86Å; G179-E182 PolarHBondContact O-N 3.29Å; G179-G183 PolarHBondContact O-N 2.96Å
180I98.8Very high97.8Very high1 Ų147.6 Ų47.61%0.00525%0.253CS..Hα-helixtrans-59-47.6174.9-75.7167.7000110.6I163 V176 V177 E182 G183 Y184 L194 L211 I216 I243I163-I180 HydrophobicContact CD1-CD1 4.11Å; I163-I180 HydrophobicContact CD1-CG1 3.43Å; I163-I180 VanDerWaalsContact CD1-CG1 3.43Å; V176-I180 WeakPolarHBondContact O-CB 3.09Å; V176-I180 WeakPolarHBondContact O-CD1 3.38Å; V176-I180 WeakPolarHBondContact O-CG1 3.45Å; V176-I180 PolarHBondContact O-N 2.88Å; V177-I180 PolarHBondContact O-N 3.41Å; I180-E182 VanDerWaalsContact C-N 3.29Å; I180-E182 PolarHBondContact O-N 2.92Å; I180-G183 PolarHBondContact O-N 2.77Å; I180-Y184 VanDerWaalsContact O-CB 3.26Å; I180-Y184 WeakPolarHBondContact O-CB 3.42Å; I180-Y184 PolarHBondContact O-N 3.09Å; I180-L194 HydrophobicContact CD1-CB 4.17Å; I180-L194 HydrophobicContact CD1-CD2 3.86Å; I180-L194 HydrophobicContact CD1-CG 4.49Å; I180-L211 HydrophobicContact CD1-CD1 4.3Å; I180-L211 HydrophobicContact CG2-CD1 4.04Å; I180-I216 HydrophobicContact CG2-CD1 3.88Å; I180-I243 HydrophobicContact CD1-CD1 4.4Å; I180-I243 HydrophobicContact CG2-CD1 3.33Å
181A98.7Very high98.2Very high35 Ų3540 Ų4029%0.28922%0.221SC..Hα-helixtrans-58.5-41.9179.300000111.9V177 S178 K185 T214V177-A181 PolarHBondContact O-N 2.87Å; S178-A181 PolarHBondContact O-N 2.75Å; A181-K185 VanDerWaalsContact O-CB 3.28Å; A181-K185 WeakPolarHBondContact O-CB 3.43Å; A181-K185 PolarHBondContact O-N 3.26Å; A181-T214 HydrophobicContact CB-CG2 4.21Å
182E98.7Very high98.4Very high49 Ų4936.1 Ų36.123%0.22920%0.197CC..Hα-helixtrans-68.4-40.2176.7-75.1-69.3139.600113.1K149 S178 G179 I180 K185 R186K149-E182 VanDerWaalsContact CE-CG 3.5Å; K149-E182 HydrophobicContact CG-CB 4.02Å; K149-E182 HydrophobicContact CG-CG 4.45Å; S178-E182 WeakPolarHBondContact O-CG 3.36Å; S178-E182 PolarHBondContact O-N 2.91Å; G179-E182 PolarHBondContact O-N 3.29Å; I180-E182 VanDerWaalsContact C-N 3.29Å; I180-E182 PolarHBondContact O-N 2.92Å; E182-K185 IonicContact OE1-NZ 2.8Å; E182-K185 PolarHBondContact OE1-NZ 3.46Å; E182-K185 IonicContact OE2-NZ 3.81Å; E182-K185 PolarHBondContact OE2-NZ 2.84Å; E182-K185 VanDerWaalsContact OE2-NZ 3.07Å; E182-R186 PolarHBondContact O-NH1 2.81Å; E182-R186 IonicContact OE2-CZ 2.78Å; E182-R186 IonicContact OE2-NH1 3.56Å; E182-R186 PolarHBondContact OE2-NH1 3.45Å; E182-R186 IonicContact OE2-NH2 3.48Å; E182-R186 PolarHBondContact OE2-NH2 3.43Å; E182-R186 VanDerWaalsContact OE2-NH2 3.15Å
183G98.8Very high98.6Very high0 Ų035.3 Ų35.30%019%0.193CC..Hα-helixtrans-64.6-51174.700000111.6L148 G179 I180 K185 R186 F187 Y192L148-G183 WeakPolarHBondContact O-CA 3.38Å; G179-G183 PolarHBondContact O-N 2.96Å; I180-G183 PolarHBondContact O-N 2.77Å; G183-K185 VanDerWaalsContact C-N 3.34Å; G183-K185 PolarHBondContact O-N 3.09Å; G183-R186 CarbonylContact O-C 3.53Å; G183-R186 WeakPolarHBondContact O-CA 3.43Å; G183-R186 WeakPolarHBondContact O-CB 3.47Å; G183-R186 PolarHBondContact O-N 3Å; G183-F187 PolarHBondContact O-N 2.96Å; G183-Y192 PolarHBondContact O-OH 3.13Å; G183-Y192 VanDerWaalsContact O-OH 3.04Å
184Y98.8Very high98.6Very high53 Ų5334.8 Ų34.821%0.20819%0.19CC..Hα-helixtrans-60.6-40.9-179.5-167.3-87.4000112.1I180 R186 F187 A188 Y192 I216 I243I180-Y184 VanDerWaalsContact O-CB 3.26Å; I180-Y184 WeakPolarHBondContact O-CB 3.42Å; I180-Y184 PolarHBondContact O-N 3.09Å; Y184-R186 PolarHBondContact O-N 2.92Å; Y184-R186 VanDerWaalsContact O-N 3.15Å; Y184-F187 CarbonylContact O-C 3.58Å; Y184-F187 PolarHBondContact O-N 3.36Å; Y184-A188 HydrophobicContact CD1-CB 4.05Å; Y184-A188 HydrophobicContact CE1-CB 3.71Å; Y184-A188 HydrophobicContact CE2-CB 4.36Å; Y184-A188 VanDerWaalsContact CE2-O 3.23Å; Y184-A188 WeakPolarHBondContact CE2-O 3.48Å; Y184-A188 WeakPolarHBondContact O-CA 3.41Å; Y184-A188 WeakPolarHBondContact O-CB 3.44Å; Y184-A188 PolarHBondContact O-N 2.88Å; Y184-Y192 HydrophobicContact CD2-CD2 4.4Å; Y184-Y192 HydrophobicContact CD2-CE2 4.02Å; Y184-Y192 PolarHBondContact N-OH 3.17Å; Y184-I216 HydrophobicContact CD1-CD1 3.96Å; Y184-I216 HydrophobicContact CD1-CG1 3.73Å; Y184-I216 HydrophobicContact CD2-CD1 4.02Å; Y184-I216 HydrophobicContact CD2-CG1 4.25Å; Y184-I216 HydrophobicContact CD2-CG2 4.06Å; Y184-I216 HydrophobicContact CE1-CG1 3.98Å; Y184-I216 HydrophobicContact CE1-CG2 4.44Å; Y184-I216 HydrophobicContact CE2-CG1 4.47Å; Y184-I216 HydrophobicContact CE2-CG2 3.74Å; Y184-I216 HydrophobicContact CG-CD1 3.62Å; Y184-I216 HydrophobicContact CG-CG1 3.88Å; Y184-I243 HydrophobicContact CD2-CG2 4.01Å; Y184-I243 HydrophobicContact CE2-CG2 3.78Å
185K98.6Very high98.7Very high137 Ų13731.7 Ų31.760%0.59618%0.175SC*.Hα-helixtrans-54.5-32.8173.1-178.9175.566.2-168.10113A181 E182 G183A181-K185 VanDerWaalsContact O-CB 3.28Å; A181-K185 WeakPolarHBondContact O-CB 3.43Å; A181-K185 PolarHBondContact O-N 3.26Å; E182-K185 IonicContact OE1-NZ 2.8Å; E182-K185 PolarHBondContact OE1-NZ 3.46Å; E182-K185 IonicContact OE2-NZ 3.81Å; E182-K185 PolarHBondContact OE2-NZ 2.84Å; E182-K185 VanDerWaalsContact OE2-NZ 3.07Å; G183-K185 VanDerWaalsContact C-N 3.34Å; G183-K185 PolarHBondContact O-N 3.09Å
186R98.7Very high98.7Very high90 Ų9030.6 Ų30.634%0.3417%0.166SC..Hα-helixtrans-92-32.4179.8-72.5168.4-179.472-1.1113L152 E182 G183 Y184L152-R186 HydrophobicContact CB-CB 4.32Å; L152-R186 WeakPolarHBondContact O-CD 3.43Å; E182-R186 PolarHBondContact O-NH1 2.81Å; E182-R186 IonicContact OE2-CZ 2.78Å; E182-R186 IonicContact OE2-NH1 3.56Å; E182-R186 PolarHBondContact OE2-NH1 3.45Å; E182-R186 IonicContact OE2-NH2 3.48Å; E182-R186 PolarHBondContact OE2-NH2 3.43Å; E182-R186 VanDerWaalsContact OE2-NH2 3.15Å; G183-R186 CarbonylContact O-C 3.53Å; G183-R186 WeakPolarHBondContact O-CA 3.43Å; G183-R186 WeakPolarHBondContact O-CB 3.47Å; G183-R186 PolarHBondContact O-N 3Å; Y184-R186 PolarHBondContact O-N 2.92Å; Y184-R186 VanDerWaalsContact O-N 3.15Å
187F98.8Very high98.7Very high6 Ų630.9 Ų30.93%0.02617%0.168CC..  trans-143.570.3-173.8-175.4-139.6000111.1L152 P153 P154 R157 I161 G183 Y184 T189 G190 Y192L152-F187 HydrophobicContact CB-CB 4.15Å; L152-F187 HydrophobicContact CD2-CD1 4.07Å; P153-F187 HydrophobicContact CB-CB 3.91Å; P153-F187 HydrophobicContact CB-CD2 4.05Å; P153-F187 HydrophobicContact CB-CG 4.11Å; P154-F187 HydrophobicContact CG-CD1 4.27Å; P154-F187 HydrophobicContact CG-CE1 3.83Å; P154-F187 HydrophobicContact CG-CE2 4.49Å; P154-F187 HydrophobicContact CG-CZ 3.98Å; R157-F187 WeakPolarHBondContact O-CE2 3.2Å; I161-F187 HydrophobicContact CD1-CD1 3.96Å; I161-F187 HydrophobicContact CD1-CE1 3.94Å; G183-F187 PolarHBondContact O-N 2.96Å; Y184-F187 CarbonylContact O-C 3.58Å; Y184-F187 PolarHBondContact O-N 3.36Å; F187-T189 WeakPolarHBondContact CE2-OG1 3.27Å; F187-T189 PolarHBondContact O-N 3.42Å; F187-G190 VanDerWaalsContact CZ-CA 3.48Å; F187-G190 PolarHBondContact O-N 2.87Å; F187-Y192 WeakPolarHBondContact O-CE2 3.21Å; F187-Y192 PolarHBondContact O-OH 3.31Å
188A98.6Very high98.7Very high44 Ų4430.4 Ų30.436%0.36417%0.165SC..THydrogen-bonded Turntrans-66.1-17-17500000114.2Y184 N244Y184-A188 HydrophobicContact CD1-CB 4.05Å; Y184-A188 HydrophobicContact CE1-CB 3.71Å; Y184-A188 HydrophobicContact CE2-CB 4.36Å; Y184-A188 VanDerWaalsContact CE2-O 3.23Å; Y184-A188 WeakPolarHBondContact CE2-O 3.48Å; Y184-A188 WeakPolarHBondContact O-CA 3.41Å; Y184-A188 WeakPolarHBondContact O-CB 3.44Å; Y184-A188 PolarHBondContact O-N 2.88Å; A188-N244 PolarHBondContact O-ND2 3.08Å
189T98.5Very high98.5Very high110 Ų11030 Ų3068%0.67516%0.159SC*.THydrogen-bonded Turntrans-96.2-0.3178.656.20000113.7F187F187-T189 WeakPolarHBondContact CE2-OG1 3.27Å; F187-T189 PolarHBondContact O-N 3.42Å
190G98.8Very high98.4Very high0 Ų032.8 Ų32.80%017%0.173CC..SBendtrans-68.8149.6174.100000112F187 Y192 N244F187-G190 VanDerWaalsContact CZ-CA 3.48Å; F187-G190 PolarHBondContact O-N 2.87Å; G190-Y192 VanDerWaalsContact O-CD2 3.3Å; G190-Y192 WeakPolarHBondContact O-CD2 3.45Å; G190-Y192 WeakPolarHBondContact O-CE2 3.29Å; G190-N244 PolarHBondContact O-ND2 3.3Å
191T98.9Very high98.3Very high11 Ų1134.8 Ų34.87%0.06718%0.18CC..EExtended strand (participates in β ladder)trans-88117.9166.8-60.70000108.2I25 G159 L160 I161 V242 I243 N244I25-T191 HydrophobicContact CD1-CG2 4.14Å; I25-T191 HydrophobicContact CG2-CG2 3.82Å; G159-T191 PolarHBondContact O-N 3.03Å; G159-T191 VanDerWaalsContact O-N 3.07Å; L160-T191 WeakPolarHBondContact CA-O 3.32Å; L160-T191 HydrophobicContact CD1-CG2 4.31Å; I161-T191 PolarHBondContact N-O 3.06Å; T191-V242 HydrophobicContact CG2-CG1 3.72Å; T191-I243 WeakPolarHBondContact CA-O 3.5Å; T191-N244 PolarHBondContact OG1-O 3.21Å
192Y99Very high98.3Very high1 Ų139.1 Ų39.10%0.00420%0.195CC..EExtended strand (participates in β ladder)trans-105.8124177.5-59.1-101.7000108.4L152 I161 G183 Y184 F187 G190 V242 I243L152-Y192 HydrophobicContact CD1-CE1 3.9Å; I161-Y192 HydrophobicContact CB-CD1 3.67Å; I161-Y192 HydrophobicContact CB-CE1 4.03Å; I161-Y192 HydrophobicContact CB-CG 4.32Å; I161-Y192 HydrophobicContact CD1-CD1 4.31Å; I161-Y192 HydrophobicContact CD1-CE1 4.04Å; I161-Y192 HydrophobicContact CG1-CD1 4.15Å; I161-Y192 HydrophobicContact CG1-CE1 3.99Å; I161-Y192 HydrophobicContact CG2-CD1 3.7Å; I161-Y192 HydrophobicContact CG2-CE1 4.07Å; I161-Y192 WeakPolarHBondContact O-CA 3.46Å; G183-Y192 PolarHBondContact O-OH 3.13Å; G183-Y192 VanDerWaalsContact O-OH 3.04Å; Y184-Y192 HydrophobicContact CD2-CD2 4.4Å; Y184-Y192 HydrophobicContact CD2-CE2 4.02Å; Y184-Y192 PolarHBondContact N-OH 3.17Å; F187-Y192 WeakPolarHBondContact O-CE2 3.21Å; F187-Y192 PolarHBondContact O-OH 3.31Å; G190-Y192 VanDerWaalsContact O-CD2 3.3Å; G190-Y192 WeakPolarHBondContact O-CD2 3.45Å; G190-Y192 WeakPolarHBondContact O-CE2 3.29Å; Y192-V242 CarbonylContact O-C 3.53Å; Y192-V242 VanDerWaalsContact O-CA 3.27Å; Y192-V242 WeakPolarHBondContact O-CA 3.41Å; Y192-I243 HydrophobicContact CD2-CB 4.33Å; Y192-I243 HydrophobicContact CD2-CG2 4.41Å; Y192-I243 PolarHBondContact N-O 3.42Å; Y192-I243 VanDerWaalsContact N-O 3.11Å; Y192-I243 PolarHBondContact O-N 3.23Å
193A99Very high98.2Very high0 Ų039.3 Ų39.30%020%0.195CC..EExtended strand (participates in β ladder)trans-114.6111.8177.800000108.5I25 L160 I161 L162 I163 M240 I241I25-A193 HydrophobicContact CD1-CB 4.12Å; L160-A193 HydrophobicContact CD1-CB 3.81Å; I161-A193 PolarHBondContact O-N 3.4Å; L162-A193 WeakPolarHBondContact CA-O 3.29Å; L162-A193 HydrophobicContact CD1-CB 4.15Å; I163-A193 PolarHBondContact N-O 3.27Å; A193-M240 HydrophobicContact CB-CE 3.7Å; A193-I241 CarbonylContact C-O 3.58Å; A193-I241 WeakPolarHBondContact CA-O 3.47Å
194L98.9Very high98.1Very high1 Ų139.3 Ų39.31%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-105117.5179.2169.865.4000109.2I163 V176 I180 M207 M240 I241I163-L194 HydrophobicContact CB-CD1 3.97Å; I163-L194 HydrophobicContact CG2-CD1 3.79Å; I163-L194 WeakPolarHBondContact O-CA 3.3Å; I163-L194 WeakPolarHBondContact O-CD1 3.35Å; V176-L194 HydrophobicContact CB-CD1 3.73Å; V176-L194 HydrophobicContact CB-CD2 4.19Å; V176-L194 HydrophobicContact CG1-CD1 3.66Å; V176-L194 HydrophobicContact CG2-CD1 4.24Å; V176-L194 HydrophobicContact CG2-CD2 4.04Å; I180-L194 HydrophobicContact CD1-CB 4.17Å; I180-L194 HydrophobicContact CD1-CD2 3.86Å; I180-L194 HydrophobicContact CD1-CG 4.49Å; L194-M207 HydrophobicContact CD2-CE 4.3Å; L194-M207 HydrophobicContact CD2-SD 4.38Å; L194-M240 CarbonylContact O-C 3.53Å; L194-M240 VanDerWaalsContact O-CA 3.32Å; L194-M240 WeakPolarHBondContact O-CA 3.1Å; L194-I241 HydrophobicContact CB-CB 4.28Å; L194-I241 HydrophobicContact CD2-CD1 4.46Å; L194-I241 PolarHBondContact N-O 3.14Å; L194-I241 PolarHBondContact O-N 3.24Å
195W98.8Very high98.1Very high17 Ų1743 Ų436%0.06421%0.213CC..EExtended strand (participates in β ladder)trans-81.6144.2167.5179.281.2000110.4A14 K18 I163 D164 Y167 P197 M235 G239 M240A14-W195 HydrophobicContact CB-CZ2 3.98Å; K18-W195 HydrophobicContact CD-CB 3.92Å; K18-W195 HydrophobicContact CD-CG 3.86Å; K18-W195 HydrophobicContact CG-CB 4.38Å; K18-W195 HydrophobicContact CG-CG 4.44Å; I163-W195 PolarHBondContact O-N 2.85Å; D164-W195 HydrophobicContact CB-CB 4.31Å; D164-W195 WeakPolarHBondContact OD1-CB 3.42Å; D164-W195 VanDerWaalsContact OD1-CD2 3.24Å; Y167-W195 HydrophobicContact CD2-CE3 4.19Å; Y167-W195 AromaticContact CD2-CZ3 3.79Å; Y167-W195 HydrophobicContact CD2-CZ3 3.79Å; Y167-W195 AromaticContact CE2-CE3 3.86Å; Y167-W195 HydrophobicContact CE2-CE3 3.86Å; Y167-W195 AromaticContact CE2-CZ3 3.95Å; Y167-W195 HydrophobicContact CE2-CZ3 3.95Å; Y167-W195 WeakPolarHBondContact CE2-O 3.25Å; Y167-W195 PolarHBondContact OH-O 2.97Å; W195-P197 HydrophobicContact CH2-CB 3.69Å; W195-P197 HydrophobicContact CH2-CG 4Å; W195-P197 HydrophobicContact CZ2-CB 4.16Å; W195-P197 HydrophobicContact CZ3-CB 4.28Å; W195-P197 HydrophobicContact CZ3-CG 4.1Å; W195-M235 HydrophobicContact CH2-SD 4.27Å; W195-M235 HydrophobicContact CZ2-SD 4Å; W195-G239 CarbonylContact C-O 3.46Å; W195-G239 WeakPolarHBondContact CA-O 3.45Å; W195-M240 VanDerWaalsContact CA-SD 3.59Å; W195-M240 HydrophobicContact CB-SD 3.62Å; W195-M240 HydrophobicContact CG-SD 4.14Å
196Y98.7Very high98.1Very high0 Ų043.6 Ų43.60%021%0.211CC..EExtended strand (participates in β ladder)trans-145145.1173.168.4-88.7000113.1V198 I204 M207 Q221 E223 S238 G239 I241Y196-V198 HydrophobicContact CD2-CG2 4.27Å; Y196-V198 HydrophobicContact CE2-CG2 3.84Å; Y196-I204 HydrophobicContact CD2-CD1 3.55Å; Y196-I204 HydrophobicContact CD2-CG1 3.92Å; Y196-I204 HydrophobicContact CD2-CG2 3.86Å; Y196-I204 HydrophobicContact CE2-CD1 4.37Å; Y196-I204 HydrophobicContact CE2-CG1 4.28Å; Y196-I204 HydrophobicContact CE2-CG2 3.61Å; Y196-I204 HydrophobicContact CG-CD1 4.21Å; Y196-M207 HydrophobicContact CD1-CE 4.26Å; Y196-M207 HydrophobicContact CD2-CE 4.46Å; Y196-M207 HydrophobicContact CG-CE 3.9Å; Y196-Q221 PolarHBondContact OH-NE2 3.5Å; Y196-E223 WeakPolarHBondContact CE2-OE2 3.49Å; Y196-E223 PolarHBondContact OH-OE2 3.38Å; Y196-S238 CarbonylContact O-C 3.56Å; Y196-S238 VanDerWaalsContact O-CA 3.26Å; Y196-S238 WeakPolarHBondContact O-CA 3.44Å; Y196-G239 WeakPolarHBondContact CD1-O 3.43Å; Y196-G239 VanDerWaalsContact CE1-CA 3.46Å; Y196-G239 PolarHBondContact N-O 3.21Å; Y196-G239 PolarHBondContact O-N 3.45Å; Y196-I241 HydrophobicContact CD1-CD1 4.14Å; Y196-I241 HydrophobicContact CD1-CG1 4.02Å; Y196-I241 HydrophobicContact CE1-CD1 4.08Å; Y196-I241 HydrophobicContact CE1-CG1 3.71Å
197P98Very high98.1Very high7 Ų739.5 Ų39.55%0.04520%0.196CC..EExtended strand (participates in β ladder)trans-93.7141.1174.134.6-33.2000112.1Y167 W195 V199 I204 M235Y167-P197 HydrophobicContact CD2-CG 3.67Å; Y167-P197 HydrophobicContact CE2-CG 4.26Å; Y167-P197 HydrophobicContact CG-CG 3.86Å; W195-P197 HydrophobicContact CH2-CB 3.69Å; W195-P197 HydrophobicContact CH2-CG 4Å; W195-P197 HydrophobicContact CZ2-CB 4.16Å; W195-P197 HydrophobicContact CZ3-CB 4.28Å; W195-P197 HydrophobicContact CZ3-CG 4.1Å; P197-V199 HydrophobicContact CB-CG2 4.38Å; P197-V199 PolarHBondContact O-N 3.49Å; P197-I204 WeakPolarHBondContact O-CD1 3.49Å; P197-M235 HydrophobicContact CB-CG 4.02Å; P197-M235 HydrophobicContact CB-SD 3.37Å; P197-M235 WeakPolarHBondContact CB-SD 3.46Å
198V98.1Very high98.1Very high1 Ų140.3 Ų40.31%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-97.386.5168.8-171.60000108.8Y196 I204 M235 T236 A237Y196-V198 HydrophobicContact CD2-CG2 4.27Å; Y196-V198 HydrophobicContact CE2-CG2 3.84Å; V198-I204 HydrophobicContact CG2-CG1 4.32Å; V198-M235 WeakPolarHBondContact O-CA 3.37Å; V198-T236 PolarHBondContact O-N 2.84Å; V198-T236 PolarHBondContact O-OG1 2.86Å; V198-A237 HydrophobicContact CB-CB 3.78Å; V198-A237 WeakPolarHBondContact CB-O 3.49Å; V198-A237 HydrophobicContact CG2-CB 3.74Å; V198-A237 PolarHBondContact N-O 2.64Å
199V95.7Very high98.1Very high60 Ų6043.8 Ų43.836%0.36421%0.209SC..SBendtrans-94.7-41.4167.6178.70000110.4P197 M235P197-V199 HydrophobicContact CB-CG2 4.38Å; P197-V199 PolarHBondContact O-N 3.49Å; V199-M235 HydrophobicContact CG2-CB 4.08Å; V199-M235 HydrophobicContact CG2-CG 4.49Å
200L95.6Very high98.1Very high66 Ų6640.7 Ų40.735%0.34619%0.188SC..SBendtrans-134.5112.5171.8-169.970.4000109Q202 Q203L200-Q202 HydrophobicContact CG-CB 4.41Å; L200-Q202 PolarHBondContact O-N 2.87Å; L200-Q203 HydrophobicContact CB-CG 4.28Å; L200-Q203 HydrophobicContact CD2-CG 4.27Å; L200-Q203 WeakPolarHBondContact O-CB 3.3Å; L200-Q203 PolarHBondContact O-N 3Å
201R97.6Very high98.1Very high42 Ų4240.8 Ų40.816%0.15819%0.189CC..Hα-helixtrans-53.5-33.8-175.7-179.659.965.6-178.65.2113.1Q203 I204 K205 E223 D229R201-Q203 VanDerWaalsContact C-N 3.3Å; R201-Q203 PolarHBondContact O-N 2.91Å; R201-I204 PolarHBondContact O-N 3.38Å; R201-K205 HydrophobicContact CG-CD 4.33Å; R201-K205 HydrophobicContact CG-CG 4.33Å; R201-K205 PolarHBondContact O-N 3.14Å; R201-E223 IonicContact CZ-OE1 2.76Å; R201-E223 VanDerWaalsContact CZ-OE1 3.31Å; R201-E223 IonicContact CZ-OE2 3.54Å; R201-E223 VanDerWaalsContact NH1-CD 3.28Å; R201-E223 IonicContact NH1-OE1 3.25Å; R201-E223 PolarHBondContact NH1-OE1 3.04Å; R201-E223 IonicContact NH1-OE2 3.53Å; R201-E223 PolarHBondContact NH1-OE2 2.97Å; R201-E223 IonicContact NH2-OE1 2.72Å; R201-E223 PolarHBondContact NH2-OE1 3.49Å; R201-E223 IonicContact NH2-OE2 3.4Å; R201-D229 WeakPolarHBondContact CB-OD2 3.45Å; R201-D229 VanDerWaalsContact CG-OD2 3.25Å; R201-D229 WeakPolarHBondContact CG-OD2 3.37Å; R201-D229 IonicContact CZ-OD1 2.71Å; R201-D229 IonicContact CZ-OD2 3.07Å; R201-D229 VanDerWaalsContact NE-CG 3.33Å; R201-D229 IonicContact NE-OD1 3.47Å; R201-D229 PolarHBondContact NE-OD1 3.04Å; R201-D229 IonicContact NE-OD2 2.7Å; R201-D229 PolarHBondContact NE-OD2 3.29Å; R201-D229 IonicContact NH2-OD1 3.5Å; R201-D229 PolarHBondContact NH2-OD1 3.36Å; R201-D229 IonicContact NH2-OD2 3.85Å
202Q96.9Very high98.1Very high126 Ų12644.3 Ų44.359%0.58920%0.204SC*.Hα-helixtrans-63-33.1179.5-171.459.820.100113.3L200 I204 R206L200-Q202 HydrophobicContact CG-CB 4.41Å; L200-Q202 PolarHBondContact O-N 2.87Å; Q202-I204 VanDerWaalsContact C-N 3.34Å; Q202-R206 PolarHBondContact O-N 3.21Å; Q202-R206 VanDerWaalsContact O-N 3.1Å
203Q96.6Very high98Very high53 Ų5348 Ų4825%0.24824%0.235CC..Hα-helixtrans-66.4-40.5175.5-68.7174.5-51.200110.9Y173 L200 R201 R206 M207Y173-Q203 HydrophobicContact CD1-CB 4.26Å; Y173-Q203 HydrophobicContact CE1-CB 4.03Å; Y173-Q203 HydrophobicContact CE2-CB 4.39Å; Y173-Q203 PolarHBondContact OH-OE1 2.91Å; L200-Q203 HydrophobicContact CB-CG 4.28Å; L200-Q203 HydrophobicContact CD2-CG 4.27Å; L200-Q203 WeakPolarHBondContact O-CB 3.3Å; L200-Q203 PolarHBondContact O-N 3Å; R201-Q203 VanDerWaalsContact C-N 3.3Å; R201-Q203 PolarHBondContact O-N 2.91Å; Q203-R206 PolarHBondContact O-N 2.99Å; Q203-M207 WeakPolarHBondContact O-CB 3.37Å; Q203-M207 PolarHBondContact O-N 3.04Å
204I98.1Very high98Very high1 Ų150.2 Ų50.21%0.00525%0.249CC..Hα-helixtrans-69.8-43178.4-58-49.7000111.4Y173 Y196 P197 V198 R201 Q202 R206 M207 I208Y173-I204 HydrophobicContact CD1-CD1 4.24Å; Y173-I204 HydrophobicContact CE1-CD1 3.68Å; Y196-I204 HydrophobicContact CD2-CD1 3.55Å; Y196-I204 HydrophobicContact CD2-CG1 3.92Å; Y196-I204 HydrophobicContact CD2-CG2 3.86Å; Y196-I204 HydrophobicContact CE2-CD1 4.37Å; Y196-I204 HydrophobicContact CE2-CG1 4.28Å; Y196-I204 HydrophobicContact CE2-CG2 3.61Å; Y196-I204 HydrophobicContact CG-CD1 4.21Å; P197-I204 WeakPolarHBondContact O-CD1 3.49Å; V198-I204 HydrophobicContact CG2-CG1 4.32Å; R201-I204 PolarHBondContact O-N 3.38Å; Q202-I204 VanDerWaalsContact C-N 3.34Å; I204-R206 VanDerWaalsContact C-N 3.28Å; I204-R206 PolarHBondContact O-N 2.93Å; I204-M207 HydrophobicContact CD1-CE 4.02Å; I204-M207 PolarHBondContact O-N 3.45Å; I204-I208 HydrophobicContact CG2-CD1 3.82Å; I204-I208 HydrophobicContact CG2-CG1 4.31Å; I204-I208 WeakPolarHBondContact O-CB 3.22Å; I204-I208 WeakPolarHBondContact O-CG1 3.19Å; I204-I208 PolarHBondContact O-N 3.3Å
205K98.3Very high98Very high130 Ų13053 Ų5357%0.56528%0.277SS*.Hα-helixtrans-55.8-44.2173.3-75.4-177.9174.2177.70111.8R201 H209R201-K205 HydrophobicContact CG-CD 4.33Å; R201-K205 HydrophobicContact CG-CG 4.33Å; R201-K205 PolarHBondContact O-N 3.14Å; K205-H209 WeakPolarHBondContact O-CB 3.36Å; K205-H209 PolarHBondContact O-N 3.03Å
206R98.3Very high98Very high150 Ų15052.6 Ų52.657%0.56628%0.276SS*.Hα-helixtrans-66.6-45.3176.4-176.4177.2176.9173.72.6112.2Q202 Q203 I204 I208 H209 D210Q202-R206 PolarHBondContact O-N 3.21Å; Q202-R206 VanDerWaalsContact O-N 3.1Å; Q203-R206 PolarHBondContact O-N 2.99Å; I204-R206 VanDerWaalsContact C-N 3.28Å; I204-R206 PolarHBondContact O-N 2.93Å; R206-I208 VanDerWaalsContact C-N 3.31Å; R206-I208 PolarHBondContact O-N 3.15Å; R206-H209 WeakPolarHBondContact O-CB 3.42Å; R206-H209 PolarHBondContact O-N 2.85Å; R206-D210 IonicContact NE-OD2 2.8Å; R206-D210 WeakPolarHBondContact O-CB 3.4Å; R206-D210 VanDerWaalsContact O-CG 3.24Å; R206-D210 PolarHBondContact O-N 3.35Å
207M98.6Very high98Very high3 Ų357.9 Ų57.92%0.01530%0.296CS..Hα-helixtrans-60.3-41.1178.2-176.1-174.573.700111.8Y167 Y173 V176 V177 L194 Y196 Q203 I204 D210 L211 I241Y167-M207 HydrophobicContact CE1-SD 4.47Å; Y173-M207 HydrophobicContact CD1-SD 3.97Å; V176-M207 HydrophobicContact CG2-CG 4.14Å; V176-M207 HydrophobicContact CG2-SD 3.66Å; V177-M207 HydrophobicContact CG2-CG 3.87Å; L194-M207 HydrophobicContact CD2-CE 4.3Å; L194-M207 HydrophobicContact CD2-SD 4.38Å; Y196-M207 HydrophobicContact CD1-CE 4.26Å; Y196-M207 HydrophobicContact CD2-CE 4.46Å; Y196-M207 HydrophobicContact CG-CE 3.9Å; Q203-M207 WeakPolarHBondContact O-CB 3.37Å; Q203-M207 PolarHBondContact O-N 3.04Å; I204-M207 HydrophobicContact CD1-CE 4.02Å; I204-M207 PolarHBondContact O-N 3.45Å; M207-D210 PolarHBondContact O-N 2.9Å; M207-L211 WeakPolarHBondContact O-CB 3.28Å; M207-L211 PolarHBondContact O-N 3.32Å; M207-I241 HydrophobicContact CE-CD1 4.15Å
208I98.7Very high98Very high24 Ų2460.4 Ų60.412%0.12331%0.306CS..Hα-helixtrans-64.2-46.6175.1-70.7172.9000110.4I204 R206 D210 L211 E212 I241 I277I204-I208 HydrophobicContact CG2-CD1 3.82Å; I204-I208 HydrophobicContact CG2-CG1 4.31Å; I204-I208 WeakPolarHBondContact O-CB 3.22Å; I204-I208 WeakPolarHBondContact O-CG1 3.19Å; I204-I208 PolarHBondContact O-N 3.3Å; R206-I208 VanDerWaalsContact C-N 3.31Å; R206-I208 PolarHBondContact O-N 3.15Å; I208-D210 PolarHBondContact O-N 3.07Å; I208-L211 CarbonylContact O-C 3.57Å; I208-L211 WeakPolarHBondContact O-CA 3.34Å; I208-L211 WeakPolarHBondContact O-CB 3.48Å; I208-L211 PolarHBondContact O-N 3.12Å; I208-L211 VanDerWaalsContact O-N 3.08Å; I208-E212 HydrophobicContact CG2-CG 4.5Å; I208-E212 WeakPolarHBondContact O-CG 3.35Å; I208-E212 PolarHBondContact O-N 3.21Å; I208-I241 HydrophobicContact CG1-CD1 4.05Å; I208-I277 HydrophobicContact CD1-CD1 4.26Å; I208-I277 HydrophobicContact CG1-CD1 4.14Å; I208-I277 HydrophobicContact CG2-CD1 4.14Å; I208-I277 HydrophobicContact CG2-CG1 4.23Å; I208-I277 HydrophobicContact CG2-CG2 3.72Å
209H98.7Very high98.1Very high116 Ų11660.3 Ų60.354%0.53731%0.306SS..Hα-helixtrans-58.7-45.2176.3-179.866.8000112.7K205 R206 L211 E212 A213K205-H209 WeakPolarHBondContact O-CB 3.36Å; K205-H209 PolarHBondContact O-N 3.03Å; R206-H209 WeakPolarHBondContact O-CB 3.42Å; R206-H209 PolarHBondContact O-N 2.85Å; H209-L211 PolarHBondContact O-N 3.4Å; H209-E212 WeakPolarHBondContact CA-OE2 3.23Å; H209-E212 PolarHBondContact O-N 2.83Å; H209-A213 WeakPolarHBondContact O-CB 3.49Å; H209-A213 PolarHBondContact O-N 2.98Å
210D98.7Very high98.2Very high46 Ų4657.5 Ų57.525%0.24629%0.289CS..Hα-helixtrans-64.2-33177.1-66.7-17.9000110.9V177 R206 M207 I208V177-D210 HydrophobicContact CG1-CB 4.14Å; V177-D210 WeakPolarHBondContact CG1-O 3.35Å; V177-D210 HydrophobicContact CG2-CB 4.23Å; R206-D210 IonicContact NE-OD2 2.8Å; R206-D210 WeakPolarHBondContact O-CB 3.4Å; R206-D210 VanDerWaalsContact O-CG 3.24Å; R206-D210 PolarHBondContact O-N 3.35Å; M207-D210 PolarHBondContact O-N 2.9Å; I208-D210 PolarHBondContact O-N 3.07Å
211L98.6Very high98.4Very high2 Ų255.7 Ų55.71%0.0128%0.279CS..Hα-helixtrans-70.6-42.9174.9-171.765.9000112.2V177 I180 M207 I208 H209 A213 T214 I219 I241 I243V177-L211 HydrophobicContact CG1-CD1 4.44Å; V177-L211 HydrophobicContact CG2-CB 4.44Å; I180-L211 HydrophobicContact CD1-CD1 4.3Å; I180-L211 HydrophobicContact CG2-CD1 4.04Å; M207-L211 WeakPolarHBondContact O-CB 3.28Å; M207-L211 PolarHBondContact O-N 3.32Å; I208-L211 CarbonylContact O-C 3.57Å; I208-L211 WeakPolarHBondContact O-CA 3.34Å; I208-L211 WeakPolarHBondContact O-CB 3.48Å; I208-L211 PolarHBondContact O-N 3.12Å; I208-L211 VanDerWaalsContact O-N 3.08Å; H209-L211 PolarHBondContact O-N 3.4Å; L211-A213 VanDerWaalsContact C-N 3.26Å; L211-A213 PolarHBondContact O-N 3.23Å; L211-T214 WeakPolarHBondContact O-CB 3.33Å; L211-T214 WeakPolarHBondContact O-CG2 3.46Å; L211-T214 PolarHBondContact O-N 3.36Å; L211-T214 VanDerWaalsContact O-N 3.16Å; L211-T214 PolarHBondContact O-OG1 2.95Å; L211-I219 HydrophobicContact CD2-CD1 4.19Å; L211-I219 HydrophobicContact CD2-CG2 4.11Å; L211-I219 HydrophobicContact CG-CD1 4.06Å; L211-I241 HydrophobicContact CD2-CD1 4.26Å; L211-I241 HydrophobicContact CD2-CG2 3.79Å; L211-I243 HydrophobicContact CD1-CD1 4.5Å
212E98.6Very high98.4Very high84 Ų8453.7 Ų53.739%0.39327%0.271SS..Hα-helixtrans-58.7-40.3172.9-69174.5107.400111.2I208 H209 T214 G215 I277 V278I208-E212 HydrophobicContact CG2-CG 4.5Å; I208-E212 WeakPolarHBondContact O-CG 3.35Å; I208-E212 PolarHBondContact O-N 3.21Å; H209-E212 WeakPolarHBondContact CA-OE2 3.23Å; H209-E212 PolarHBondContact O-N 2.83Å; E212-T214 PolarHBondContact O-N 2.93Å; E212-T214 VanDerWaalsContact O-N 3.09Å; E212-G215 PolarHBondContact O-N 3.08Å; E212-I277 HydrophobicContact CG-CG2 3.59Å; E212-V278 HydrophobicContact CG-CG2 3.96Å
213A98.6Very high98.5Very high79 Ų7948 Ų4865%0.65325%0.245SC*.THydrogen-bonded Turntrans-63.6-14.3178.900000114.1H209 L211 G215H209-A213 WeakPolarHBondContact O-CB 3.49Å; H209-A213 PolarHBondContact O-N 2.98Å; L211-A213 VanDerWaalsContact C-N 3.26Å; L211-A213 PolarHBondContact O-N 3.23Å; A213-G215 PolarHBondContact O-N 3.24Å
214T98.6Very high98.6Very high47 Ų4745.5 Ų45.529%0.28823%0.233SC..THydrogen-bonded Turntrans-70-18.2172.669.70000113.2V177 A181 L211 E212 I216V177-T214 HydrophobicContact CG1-CG2 3.92Å; A181-T214 HydrophobicContact CB-CG2 4.21Å; L211-T214 WeakPolarHBondContact O-CB 3.33Å; L211-T214 WeakPolarHBondContact O-CG2 3.46Å; L211-T214 PolarHBondContact O-N 3.36Å; L211-T214 VanDerWaalsContact O-N 3.16Å; L211-T214 PolarHBondContact O-OG1 2.95Å; E212-T214 PolarHBondContact O-N 2.93Å; E212-T214 VanDerWaalsContact O-N 3.09Å; T214-I216 PolarHBondContact O-N 3.03Å; T214-I216 WeakPolarHBondContact OG1-CB 3.23Å; T214-I216 WeakPolarHBondContact OG1-CD1 3.06Å; T214-I216 VanDerWaalsContact OG1-CG1 3.3Å; T214-I216 WeakPolarHBondContact OG1-CG1 3.28Å; T214-I216 PolarHBondContact OG1-N 3.31Å
215G98.5Very high98.7Very high58 Ų5845.5 Ų45.560%0.59823%0.233SC*.THydrogen-bonded Turntrans75.85.5-174.600000114.5E212 A213E212-G215 PolarHBondContact O-N 3.08Å; A213-G215 PolarHBondContact O-N 3.24Å
216I98.7Very high98.7Very high9 Ų940.5 Ų40.55%0.04621%0.213CC..  trans-64.9138.5174.4-66.3171.2000109.7I180 Y184 T214 I219 I243I180-I216 HydrophobicContact CG2-CD1 3.88Å; Y184-I216 HydrophobicContact CD1-CD1 3.96Å; Y184-I216 HydrophobicContact CD1-CG1 3.73Å; Y184-I216 HydrophobicContact CD2-CD1 4.02Å; Y184-I216 HydrophobicContact CD2-CG1 4.25Å; Y184-I216 HydrophobicContact CD2-CG2 4.06Å; Y184-I216 HydrophobicContact CE1-CG1 3.98Å; Y184-I216 HydrophobicContact CE1-CG2 4.44Å; Y184-I216 HydrophobicContact CE2-CG1 4.47Å; Y184-I216 HydrophobicContact CE2-CG2 3.74Å; Y184-I216 HydrophobicContact CG-CD1 3.62Å; Y184-I216 HydrophobicContact CG-CG1 3.88Å; T214-I216 PolarHBondContact O-N 3.03Å; T214-I216 WeakPolarHBondContact OG1-CB 3.23Å; T214-I216 WeakPolarHBondContact OG1-CD1 3.06Å; T214-I216 VanDerWaalsContact OG1-CG1 3.3Å; T214-I216 WeakPolarHBondContact OG1-CG1 3.28Å; T214-I216 PolarHBondContact OG1-N 3.31Å; I216-I219 HydrophobicContact CB-CD1 4.09Å; I216-I219 HydrophobicContact CG2-CD1 3.93Å; I216-I219 HydrophobicContact CG2-CG1 4.05Å; I216-I243 HydrophobicContact CD1-CD1 4.48Å; I216-I243 HydrophobicContact CG2-CD1 4.26Å; I216-I243 HydrophobicContact CG2-CG1 4.49Å; I216-I243 HydrophobicContact CG2-CG2 3.59Å
217R98.6Very high98.7Very high111 Ų11137.6 Ų37.642%0.41921%0.209SC..  trans-101.8169.7179.5-57.6-62.6-66176-3.4111.3P279 E280R217-P279 PolarHBondContact NE-O 3.4Å; R217-P279 PolarHBondContact NH2-O 3.47Å; R217-E280 PolarHBondContact NE-OXT 2.71Å; R217-E280 VanDerWaalsContact NH2-C 3.28Å; R217-E280 PolarHBondContact NH2-O 3.27Å; R217-E280 PolarHBondContact NH2-OXT 3.31Å
218K98.5Very high98.6Very high60 Ų6041.4 Ų41.426%0.26123%0.234SC..  trans56.856.6171.7-155.6179.2179.1152.40112.7N244 P245 W276 V278 P279 E280K218-N244 PolarHBondContact O-N 2.53Å; K218-P245 VanDerWaalsContact O-CD 3.28Å; K218-P245 WeakPolarHBondContact O-CD 3.38Å; K218-W276 HydrophobicContact CB-CZ3 4.34Å; K218-W276 HydrophobicContact CG-CH2 3.9Å; K218-W276 HydrophobicContact CG-CZ3 3.59Å; K218-V278 CarbonylContact C-O 3.51Å; K218-V278 VanDerWaalsContact CA-O 3.29Å; K218-V278 WeakPolarHBondContact CA-O 3.4Å; K218-V278 PolarHBondContact N-O 3.3Å; K218-V278 VanDerWaalsContact N-O 3.15Å; K218-P279 PolarHBondContact N-O 3.46Å; K218-E280 IonicContact NZ-OE2 3.71Å
219I98.9Very high98.5Very high0 Ų043.9 Ų43.90%025%0.247CC..EExtended strand (participates in β ladder)trans-108.2109.4-179.8-49.2-172.7000109L211 I216 I241 I243 I277 V278L211-I219 HydrophobicContact CD2-CD1 4.19Å; L211-I219 HydrophobicContact CD2-CG2 4.11Å; L211-I219 HydrophobicContact CG-CD1 4.06Å; I216-I219 HydrophobicContact CB-CD1 4.09Å; I216-I219 HydrophobicContact CG2-CD1 3.93Å; I216-I219 HydrophobicContact CG2-CG1 4.05Å; I219-I241 HydrophobicContact CG2-CG2 3.44Å; I219-I241 VanDerWaalsContact CG2-CG2 3.44Å; I219-I243 HydrophobicContact CD1-CG1 4.47Å; I219-I243 HydrophobicContact CG1-CG1 4.13Å; I219-I243 HydrophobicContact CG2-CG1 4.26Å; I219-I277 HydrophobicContact CB-CB 4.23Å; I219-I277 HydrophobicContact CG2-CB 4.03Å; I219-I277 HydrophobicContact CG2-CD1 4.06Å; I219-I277 PolarHBondContact O-N 3.41Å; I219-V278 HydrophobicContact CB-CB 4.21Å; I219-V278 HydrophobicContact CD1-CB 4.27Å; I219-V278 HydrophobicContact CD1-CG2 3.98Å; I219-V278 HydrophobicContact CG1-CB 4.07Å; I219-V278 HydrophobicContact CG1-CG2 4.32Å; I219-V278 PolarHBondContact N-O 3.23Å; I219-V278 PolarHBondContact O-N 2.98Å
220L98.9Very high98.3Very high0 Ų040.6 Ų40.60%024%0.237CC..EExtended strand (participates in β ladder)trans-93.8142.6175.2-169.772.5000110.1I222 I241 V242 P245 L249 E250 V274 W276L220-I222 HydrophobicContact CD2-CD1 4.1Å; L220-I222 HydrophobicContact CD2-CG1 4.13Å; L220-I222 HydrophobicContact CG-CG1 4.33Å; L220-I241 CarbonylContact O-C 3.58Å; L220-I241 WeakPolarHBondContact O-CA 3.31Å; L220-V242 PolarHBondContact N-O 3.02Å; L220-V242 PolarHBondContact O-N 3.17Å; L220-P245 HydrophobicContact CB-CB 4.3Å; L220-P245 HydrophobicContact CB-CG 3.97Å; L220-P245 HydrophobicContact CD2-CB 4.15Å; L220-P245 HydrophobicContact CD2-CG 4.42Å; L220-L249 HydrophobicContact CD2-CD2 4.34Å; L220-L249 HydrophobicContact CD2-CG 4.46Å; L220-E250 HydrophobicContact CD1-CB 4.39Å; L220-E250 HydrophobicContact CD1-CG 4.4Å; L220-E250 HydrophobicContact CD2-CB 4.19Å; L220-V274 HydrophobicContact CD1-CG1 3.73Å; L220-V274 HydrophobicContact CD2-CG1 4.08Å; L220-V274 HydrophobicContact CG-CG1 4.03Å; L220-W276 HydrophobicContact CB-CE3 4.32Å; L220-W276 HydrophobicContact CB-CZ3 4.22Å; L220-W276 HydrophobicContact CD1-CD2 3.84Å; L220-W276 HydrophobicContact CD1-CE3 4.24Å; L220-W276 HydrophobicContact CD1-CG 4.21Å; L220-W276 HydrophobicContact CD1-CH2 4.43Å; L220-W276 HydrophobicContact CD1-CZ2 4.03Å
221Q98.9Very high97.9Very high29 Ų2945.7 Ų45.714%0.13626%0.264CS..EExtended strand (participates in β ladder)trans-117.4133.8172.1-175.2-179.712.500109.5Y196 I241 V274 S275 I277Y196-Q221 PolarHBondContact OH-NE2 3.5Å; Q221-I241 HydrophobicContact CG-CG1 4.44Å; Q221-V274 CarbonylContact O-C 3.42Å; Q221-V274 WeakPolarHBondContact O-CA 3.25Å; Q221-S275 WeakPolarHBondContact CA-O 3.49Å; Q221-S275 WeakPolarHBondContact CB-O 3.47Å; Q221-S275 PolarHBondContact N-O 3.15Å; Q221-S275 PolarHBondContact O-N 3.12Å; Q221-I277 HydrophobicContact CB-CD1 3.74Å; Q221-I277 HydrophobicContact CB-CG1 3.81Å; Q221-I277 HydrophobicContact CG-CD1 4.21Å
222I98.9Very high97.5Very high0 Ų055.3 Ų55.30%030%0.301CS..EExtended strand (participates in β ladder)trans-129.1115.3178.9-54.3152.8000105.7L17 V21 L220 G239 M240 V242 L249 M253 L257 T273 V274L17-I222 HydrophobicContact CD1-CG2 3.93Å; V21-I222 HydrophobicContact CG1-CD1 4.16Å; V21-I222 HydrophobicContact CG2-CD1 3.92Å; V21-I222 HydrophobicContact CG2-CG2 4.43Å; L220-I222 HydrophobicContact CD2-CD1 4.1Å; L220-I222 HydrophobicContact CD2-CG1 4.13Å; L220-I222 HydrophobicContact CG-CG1 4.33Å; I222-G239 CarbonylContact O-C 3.35Å; I222-G239 WeakPolarHBondContact O-CA 3.45Å; I222-M240 HydrophobicContact CB-CB 4.42Å; I222-M240 HydrophobicContact CD1-CB 4.47Å; I222-M240 PolarHBondContact N-O 2.86Å; I222-M240 PolarHBondContact O-N 3.34Å; I222-V242 HydrophobicContact CD1-CG2 3.99Å; I222-L249 HydrophobicContact CD1-CD2 4.13Å; I222-L249 HydrophobicContact CD1-CG 4.38Å; I222-M253 HydrophobicContact CD1-CG 3.88Å; I222-M253 HydrophobicContact CG1-CG 4.17Å; I222-M253 HydrophobicContact CG2-CB 4.37Å; I222-M253 HydrophobicContact CG2-CE 3.76Å; I222-M253 HydrophobicContact CG2-CG 4.06Å; I222-L257 HydrophobicContact CG2-CD1 4.1Å; I222-L257 HydrophobicContact CG2-CD2 4.4Å; I222-T273 WeakPolarHBondContact CA-O 3.4Å; I222-V274 HydrophobicContact CG1-CG1 4.27Å
223E98.9Very high96.9Very high7 Ų763.6 Ų63.63%0.03333%0.328CS..EExtended strand (participates in β ladder)trans-127.4137.9-176.4-169.7172.3106.100111Y196 R201 A237 H271 A272 T273Y196-E223 WeakPolarHBondContact CE2-OE2 3.49Å; Y196-E223 PolarHBondContact OH-OE2 3.38Å; R201-E223 IonicContact CZ-OE1 2.76Å; R201-E223 VanDerWaalsContact CZ-OE1 3.31Å; R201-E223 IonicContact CZ-OE2 3.54Å; R201-E223 VanDerWaalsContact NH1-CD 3.28Å; R201-E223 IonicContact NH1-OE1 3.25Å; R201-E223 PolarHBondContact NH1-OE1 3.04Å; R201-E223 IonicContact NH1-OE2 3.53Å; R201-E223 PolarHBondContact NH1-OE2 2.97Å; R201-E223 IonicContact NH2-OE1 2.72Å; R201-E223 PolarHBondContact NH2-OE1 3.49Å; R201-E223 IonicContact NH2-OE2 3.4Å; E223-A237 HydrophobicContact CG-CB 4.4Å; E223-H271 IonicContact OE1-CE1 3.15Å; E223-H271 IonicContact OE1-NE2 2.67Å; E223-H271 PolarHBondContact OE1-NE2 2.86Å; E223-A272 CarbonylContact O-C 3.55Å; E223-A272 VanDerWaalsContact O-CA 3.29Å; E223-A272 WeakPolarHBondContact O-CA 3.41Å; E223-T273 PolarHBondContact N-O 3.38Å; E223-T273 PolarHBondContact O-N 3.05Å
224L98.9Very high96.4Very high0 Ų061.7 Ų61.70%032%0.317CS..EExtended strand (participates in β ladder)trans-126.3116.6170.6-169.7154.8000108.9L17 V226 A237 S238 L257 L260 L264 A272L17-L224 HydrophobicContact CD2-CB 3.91Å; L224-V226 HydrophobicContact CD2-CG1 3.92Å; L224-A237 WeakPolarHBondContact O-CA 3.47Å; L224-A237 WeakPolarHBondContact O-CB 3.5Å; L224-S238 PolarHBondContact N-O 3.2Å; L224-S238 PolarHBondContact O-N 2.96Å; L224-L257 HydrophobicContact CD1-CD2 4.35Å; L224-L260 HydrophobicContact CD1-CB 4.26Å; L224-L264 HydrophobicContact CD1-CD1 3.88Å; L224-L264 HydrophobicContact CD2-CD1 4.47Å; L224-A272 HydrophobicContact CG-CB 4.3Å
225A98.7Very high96.2Very high0 Ų062.1 Ų62.10%032%0.316CS..EExtended strand (participates in β ladder)trans-105.2127.4176.100000110.1A237 H261 G270 H271A225-A237 HydrophobicContact CB-CB 3.4Å; A225-H261 PolarHBondContact O-NE2 3.2Å; A225-G270 WeakPolarHBondContact O-CA 3.46Å; A225-H271 VanDerWaalsContact CB-CE1 3.48Å; A225-H271 WeakPolarHBondContact CB-CE1 3.37Å; A225-H271 PolarHBondContact N-O 3.37Å; A225-H271 PolarHBondContact O-N 3.04Å; A225-H271 VanDerWaalsContact O-N 3.15Å
226V98.3Very high96.2Very high26 Ų2660 Ų6016%0.15829%0.291CS..SBendtrans-89.4-21.9174.2-57.20000111.7H13 L224 T236 V265 T269H13-V226 HydrophobicContact CB-CG1 4.04Å; L224-V226 HydrophobicContact CD2-CG1 3.92Å; V226-T236 WeakPolarHBondContact CG2-O 3.26Å; V226-T236 PolarHBondContact N-O 3.49Å; V226-V265 HydrophobicContact CB-CG2 3.92Å; V226-V265 HydrophobicContact CG1-CG2 3.69Å; V226-T269 WeakPolarHBondContact O-CB 3.44Å; V226-T269 PolarHBondContact O-OG1 2.96Å
227L98Very high96.2Very high89 Ų8959.5 Ų59.547%0.46629%0.289SS..SBendtrans-138.3155.6177.5-72.8172.6000109.6T236L227-T236 HydrophobicContact CB-CG2 4.19Å; L227-T236 PolarHBondContact N-O 2.93Å
228P97.4Very high96.2Very high83 Ų8354.2 Ų54.254%0.53927%0.269SS..  trans-61.9156.5169.328.9-35.5000110.9T236P228-T236 WeakPolarHBondContact O-CG2 3.45Å
229D97Very high96.2Very high75 Ų7551.4 Ų51.440%0.40126%0.257SS..  trans-53.1141.7174.9-68.5-11.3000111.6R201R201-D229 WeakPolarHBondContact CB-OD2 3.45Å; R201-D229 VanDerWaalsContact CG-OD2 3.25Å; R201-D229 WeakPolarHBondContact CG-OD2 3.37Å; R201-D229 IonicContact CZ-OD1 2.71Å; R201-D229 IonicContact CZ-OD2 3.07Å; R201-D229 VanDerWaalsContact NE-CG 3.33Å; R201-D229 IonicContact NE-OD1 3.47Å; R201-D229 PolarHBondContact NE-OD1 3.04Å; R201-D229 IonicContact NE-OD2 2.7Å; R201-D229 PolarHBondContact NE-OD2 3.29Å; R201-D229 IonicContact NH2-OD1 3.5Å; R201-D229 PolarHBondContact NH2-OD1 3.36Å; R201-D229 IonicContact NH2-OD2 3.85Å
230S94.6Very high96.2Very high47 Ų4751.4 Ų51.433%0.32926%0.257SS..  trans-146.1151.7178.5-166.30000110.6R232S230-R232 WeakPolarHBondContact OG-CG 3.36Å; S230-R232 PolarHBondContact OG-N 2.61Å
231D90.9Very high96.2Very high154 Ų15451.4 Ų51.482%0.82426%0.257SS*.SBendtrans-852.2170-60.9-35.7000112.3
232R89Confident96.2Very high204 Ų20450 Ų5077%0.7725%0.25SS*.SBendtrans-76.3160.3176.2-65.1-177.7-179.1-170.51.7110.8S230 G234S230-R232 WeakPolarHBondContact OG-CG 3.36Å; S230-R232 PolarHBondContact OG-N 2.61Å; R232-G234 PolarHBondContact O-N 3.26Å
233R85.4Confident96.2Very high257 Ų25750.1 Ų50.197%0.9725%0.251SS*.SBendtrans-63.6134.9172.6-69.6-171.7-177.8-1721.5110.2
234G88.7Confident96.2Very high40 Ų4051.4 Ų51.441%0.41226%0.258SS..SBendtrans134.1155.6176.700000111.3R232R232-G234 PolarHBondContact O-N 3.26Å
235M95Very high96.2Very high55 Ų5551.8 Ų51.827%0.27126%0.26SS..  trans-91.3116.5172.1-178.11777000108.3A14 W195 P197 V198 V199 A237A14-M235 HydrophobicContact CB-CE 3.74Å; W195-M235 HydrophobicContact CH2-SD 4.27Å; W195-M235 HydrophobicContact CZ2-SD 4Å; P197-M235 HydrophobicContact CB-CG 4.02Å; P197-M235 HydrophobicContact CB-SD 3.37Å; P197-M235 WeakPolarHBondContact CB-SD 3.46Å; V198-M235 WeakPolarHBondContact O-CA 3.37Å; V199-M235 HydrophobicContact CG2-CB 4.08Å; V199-M235 HydrophobicContact CG2-CG 4.49Å; M235-A237 WeakPolarHBondContact CG-O 3.34Å
236T97.7Very high96.2Very high13 Ų1352.7 Ų52.78%0.0827%0.266CS..  trans-90-23.2-17957.90000112.5V198 V226 L227 P228V198-T236 PolarHBondContact O-N 2.84Å; V198-T236 PolarHBondContact O-OG1 2.86Å; V226-T236 WeakPolarHBondContact CG2-O 3.26Å; V226-T236 PolarHBondContact N-O 3.49Å; L227-T236 HydrophobicContact CB-CG2 4.19Å; L227-T236 PolarHBondContact N-O 2.93Å; P228-T236 WeakPolarHBondContact O-CG2 3.45Å
237A98.6Very high96.2Very high0 Ų060.1 Ų60.10%029%0.292CS..EExtended strand (participates in β ladder)trans-151.7167.9179.400000111.3V198 E223 L224 A225 M235V198-A237 HydrophobicContact CB-CB 3.78Å; V198-A237 WeakPolarHBondContact CB-O 3.49Å; V198-A237 HydrophobicContact CG2-CB 3.74Å; V198-A237 PolarHBondContact N-O 2.64Å; E223-A237 HydrophobicContact CG-CB 4.4Å; L224-A237 WeakPolarHBondContact O-CA 3.47Å; L224-A237 WeakPolarHBondContact O-CB 3.5Å; A225-A237 HydrophobicContact CB-CB 3.4Å; M235-A237 WeakPolarHBondContact CG-O 3.34Å
238S98.8Very high96.2Very high0 Ų058.9 Ų58.90%028%0.282CS..EExtended strand (participates in β ladder)trans-142.9158.5166640000109.5A14 L17 Y196 L224A14-S238 VanDerWaalsContact CA-OG 3.28Å; A14-S238 WeakPolarHBondContact CA-OG 3.5Å; A14-S238 VanDerWaalsContact CB-OG 3.23Å; A14-S238 WeakPolarHBondContact CB-OG 3.34Å; L17-S238 WeakPolarHBondContact CD2-O 3.4Å; Y196-S238 CarbonylContact O-C 3.56Å; Y196-S238 VanDerWaalsContact O-CA 3.26Å; Y196-S238 WeakPolarHBondContact O-CA 3.44Å; L224-S238 PolarHBondContact N-O 3.2Å; L224-S238 PolarHBondContact O-N 2.96Å
239G98.8Very high96.2Very high0 Ų055 Ų550%026%0.257CS..EExtended strand (participates in β ladder)trans-143.8169.6175.600000114.1W195 Y196 I222W195-G239 CarbonylContact C-O 3.46Å; W195-G239 WeakPolarHBondContact CA-O 3.45Å; Y196-G239 WeakPolarHBondContact CD1-O 3.43Å; Y196-G239 VanDerWaalsContact CE1-CA 3.46Å; Y196-G239 PolarHBondContact N-O 3.21Å; Y196-G239 PolarHBondContact O-N 3.45Å; I222-G239 CarbonylContact O-C 3.35Å; I222-G239 WeakPolarHBondContact O-CA 3.45Å
240M98.9Very high96.3Very high0 Ų054.6 Ų54.60%025%0.253CS..EExtended strand (participates in β ladder)trans-117120.9170.7-66.4-62.1-65.700108.5L17 K18 V21 L162 A193 L194 W195 I222 V242L17-M240 HydrophobicContact CG-CG 4.43Å; K18-M240 HydrophobicContact CB-SD 3.97Å; K18-M240 HydrophobicContact CG-CE 4.37Å; K18-M240 HydrophobicContact CG-SD 3.86Å; V21-M240 HydrophobicContact CB-CB 4.45Å; V21-M240 HydrophobicContact CB-CG 4.05Å; V21-M240 HydrophobicContact CG1-CB 4.17Å; V21-M240 HydrophobicContact CG1-CE 4.29Å; V21-M240 HydrophobicContact CG1-CG 4.22Å; V21-M240 HydrophobicContact CG2-CB 4.24Å; V21-M240 HydrophobicContact CG2-CG 4Å; L162-M240 HydrophobicContact CD1-CE 3.96Å; A193-M240 HydrophobicContact CB-CE 3.7Å; L194-M240 CarbonylContact O-C 3.53Å; L194-M240 VanDerWaalsContact O-CA 3.32Å; L194-M240 WeakPolarHBondContact O-CA 3.1Å; W195-M240 VanDerWaalsContact CA-SD 3.59Å; W195-M240 HydrophobicContact CB-SD 3.62Å; W195-M240 HydrophobicContact CG-SD 4.14Å; I222-M240 HydrophobicContact CB-CB 4.42Å; I222-M240 HydrophobicContact CD1-CB 4.47Å; I222-M240 PolarHBondContact N-O 2.86Å; I222-M240 PolarHBondContact O-N 3.34Å; M240-V242 HydrophobicContact CB-CG2 4.39Å
241I98.9Very high96.5Very high1 Ų158.1 Ų58.11%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-94125164.5-68172.9000107.5A193 L194 Y196 M207 I208 L211 I219 L220 Q221 I277A193-I241 CarbonylContact C-O 3.58Å; A193-I241 WeakPolarHBondContact CA-O 3.47Å; L194-I241 HydrophobicContact CB-CB 4.28Å; L194-I241 HydrophobicContact CD2-CD1 4.46Å; L194-I241 PolarHBondContact N-O 3.14Å; L194-I241 PolarHBondContact O-N 3.24Å; Y196-I241 HydrophobicContact CD1-CD1 4.14Å; Y196-I241 HydrophobicContact CD1-CG1 4.02Å; Y196-I241 HydrophobicContact CE1-CD1 4.08Å; Y196-I241 HydrophobicContact CE1-CG1 3.71Å; M207-I241 HydrophobicContact CE-CD1 4.15Å; I208-I241 HydrophobicContact CG1-CD1 4.05Å; L211-I241 HydrophobicContact CD2-CD1 4.26Å; L211-I241 HydrophobicContact CD2-CG2 3.79Å; I219-I241 HydrophobicContact CG2-CG2 3.44Å; I219-I241 VanDerWaalsContact CG2-CG2 3.44Å; L220-I241 CarbonylContact O-C 3.58Å; L220-I241 WeakPolarHBondContact O-CA 3.31Å; Q221-I241 HydrophobicContact CG-CG1 4.44Å; I241-I277 HydrophobicContact CD1-CD1 3.77Å; I241-I277 HydrophobicContact CG1-CD1 3.85Å; I241-I277 HydrophobicContact CG2-CD1 4.28Å
242V99Very high96.9Very high0 Ų052.6 Ų52.60%023%0.233CC..EExtended strand (participates in β ladder)trans-120.9114.7-178.2-170.20000110V21 I25 T191 Y192 L220 I222 M240 P245 L249V21-V242 HydrophobicContact CG1-CG2 3.91Å; I25-V242 HydrophobicContact CD1-CG1 3.91Å; I25-V242 HydrophobicContact CD1-CG2 4.29Å; T191-V242 HydrophobicContact CG2-CG1 3.72Å; Y192-V242 CarbonylContact O-C 3.53Å; Y192-V242 VanDerWaalsContact O-CA 3.27Å; Y192-V242 WeakPolarHBondContact O-CA 3.41Å; L220-V242 PolarHBondContact N-O 3.02Å; L220-V242 PolarHBondContact O-N 3.17Å; I222-V242 HydrophobicContact CD1-CG2 3.99Å; M240-V242 HydrophobicContact CB-CG2 4.39Å; V242-P245 HydrophobicContact CB-CB 4.28Å; V242-P245 HydrophobicContact CG1-CB 3.86Å; V242-L249 HydrophobicContact CB-CD2 4.18Å; V242-L249 HydrophobicContact CG1-CD2 3.96Å; V242-L249 HydrophobicContact CG2-CD2 4.02Å
243I98.9Very high97.4Very high2 Ų242.9 Ų42.91%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-90.6136.1173-57.4170.6000108.2I180 Y184 T191 Y192 L211 I216 I219I180-I243 HydrophobicContact CD1-CD1 4.4Å; I180-I243 HydrophobicContact CG2-CD1 3.33Å; Y184-I243 HydrophobicContact CD2-CG2 4.01Å; Y184-I243 HydrophobicContact CE2-CG2 3.78Å; T191-I243 WeakPolarHBondContact CA-O 3.5Å; Y192-I243 HydrophobicContact CD2-CB 4.33Å; Y192-I243 HydrophobicContact CD2-CG2 4.41Å; Y192-I243 PolarHBondContact N-O 3.42Å; Y192-I243 VanDerWaalsContact N-O 3.11Å; Y192-I243 PolarHBondContact O-N 3.23Å; L211-I243 HydrophobicContact CD1-CD1 4.5Å; I216-I243 HydrophobicContact CD1-CD1 4.48Å; I216-I243 HydrophobicContact CG2-CD1 4.26Å; I216-I243 HydrophobicContact CG2-CG1 4.49Å; I216-I243 HydrophobicContact CG2-CG2 3.59Å; I219-I243 HydrophobicContact CD1-CG1 4.47Å; I219-I243 HydrophobicContact CG1-CG1 4.13Å; I219-I243 HydrophobicContact CG2-CG1 4.26Å
244N98.8Very high98Very high33 Ų3334.5 Ų34.518%0.17617%0.171CC..SBendtrans50.254.2-170.8-60.6-44000111.8A188 G190 T191 K218A188-N244 PolarHBondContact O-ND2 3.08Å; G190-N244 PolarHBondContact O-ND2 3.3Å; T191-N244 PolarHBondContact OG1-O 3.21Å; K218-N244 PolarHBondContact O-N 2.53Å
245P98.8Very high98.5Very high9 Ų936.9 Ų36.96%0.05817%0.174CC..  trans-58.2141.9176.329.8-37.9000109.8K218 L220 V242 L249 W276K218-P245 VanDerWaalsContact O-CD 3.28Å; K218-P245 WeakPolarHBondContact O-CD 3.38Å; L220-P245 HydrophobicContact CB-CB 4.3Å; L220-P245 HydrophobicContact CB-CG 3.97Å; L220-P245 HydrophobicContact CD2-CB 4.15Å; L220-P245 HydrophobicContact CD2-CG 4.42Å; V242-P245 HydrophobicContact CB-CB 4.28Å; V242-P245 HydrophobicContact CG1-CB 3.86Å; P245-L249 HydrophobicContact CB-CB 4.35Å; P245-L249 HydrophobicContact CB-CD2 3.87Å; P245-W276 HydrophobicContact CG-CH2 3.61Å; P245-W276 HydrophobicContact CG-CZ3 3.91Å
246P98.5Very high98.6Very high19 Ų1934.3 Ų34.312%0.12316%0.162CC..  trans-57.6147167.5-20.231.5000110.8I25 S28 K248 L249I25-P246 HydrophobicContact CB-CG 4.37Å; I25-P246 HydrophobicContact CG1-CG 4.2Å; I25-P246 HydrophobicContact CG2-CG 4.04Å; S28-P246 VanDerWaalsContact OG-CB 3.28Å; S28-P246 WeakPolarHBondContact OG-CB 3.33Å; P246-K248 PolarHBondContact O-N 3.5Å; P246-K248 VanDerWaalsContact O-N 3.09Å; P246-L249 VanDerWaalsContact O-CB 3.28Å; P246-L249 WeakPolarHBondContact O-CB 3.4Å; P246-L249 PolarHBondContact O-N 3.1Å
247W97.8Very high98.7Very high182 Ų18233.9 Ų33.969%0.68916%0.159SC*.THydrogen-bonded Turntrans-59.5-29.1-168.771.6-89.5000114.4
248K98.2Very high98.7Very high62 Ų6238 Ų3827%0.2719%0.186SC..THydrogen-bonded Turntrans-78.5-19.1177.3-64.6-177.6-177.9166.30113.6E31 P246 E250 Q251 Q252E31-K248 IonicContact OE1-NZ 3.7Å; E31-K248 PolarHBondContact OE1-NZ 3.18Å; P246-K248 PolarHBondContact O-N 3.5Å; P246-K248 VanDerWaalsContact O-N 3.09Å; K248-E250 PolarHBondContact O-N 3.39Å; K248-Q251 PolarHBondContact O-N 2.9Å; K248-Q251 VanDerWaalsContact O-N 3.15Å; K248-Q252 HydrophobicContact CB-CG 4.12Å; K248-Q252 WeakPolarHBondContact O-CB 3.27Å; K248-Q252 VanDerWaalsContact O-CG 3.29Å; K248-Q252 WeakPolarHBondContact O-CG 3.48Å; K248-Q252 PolarHBondContact O-N 3.41Å; K248-Q252 PolarHBondContact O-OE1 2.71Å
249L98.8Very high98.7Very high1 Ų139.7 Ų39.71%0.00519%0.192CC..Hα-helixtrans-62-43.3-164.4-175.366.1000112.1V21 L24 I25 L220 I222 V242 P245 P246 Q251 Q252 M253V21-L249 HydrophobicContact CG1-CD1 4.47Å; V21-L249 HydrophobicContact CG1-CD2 4.39Å; L24-L249 HydrophobicContact CB-CD1 3.88Å; L24-L249 HydrophobicContact CD1-CD1 4.09Å; I25-L249 HydrophobicContact CD1-CD2 4.18Å; I25-L249 HydrophobicContact CG1-CD1 4.34Å; I25-L249 HydrophobicContact CG1-CD2 4Å; L220-L249 HydrophobicContact CD2-CD2 4.34Å; L220-L249 HydrophobicContact CD2-CG 4.46Å; I222-L249 HydrophobicContact CD1-CD2 4.13Å; I222-L249 HydrophobicContact CD1-CG 4.38Å; V242-L249 HydrophobicContact CB-CD2 4.18Å; V242-L249 HydrophobicContact CG1-CD2 3.96Å; V242-L249 HydrophobicContact CG2-CD2 4.02Å; P245-L249 HydrophobicContact CB-CB 4.35Å; P245-L249 HydrophobicContact CB-CD2 3.87Å; P246-L249 VanDerWaalsContact O-CB 3.28Å; P246-L249 WeakPolarHBondContact O-CB 3.4Å; P246-L249 PolarHBondContact O-N 3.1Å; L249-Q251 PolarHBondContact O-N 2.91Å; L249-Q252 PolarHBondContact O-N 2.89Å; L249-M253 HydrophobicContact CD1-CG 4.19Å; L249-M253 HydrophobicContact CD1-SD 4.43Å; L249-M253 HydrophobicContact CG-CG 4.39Å; L249-M253 WeakPolarHBondContact O-CB 3.16Å; L249-M253 WeakPolarHBondContact O-CG 3.23Å; L249-M253 PolarHBondContact O-N 3.4Å
250E98.7Very high98.7Very high68 Ų6839.7 Ų39.732%0.31819%0.192SC..Hα-helixtrans-59.4-47.4177.1177.2175.6-153.500111.6L220 K248 M253 N254 V274 W276L220-E250 HydrophobicContact CD1-CB 4.39Å; L220-E250 HydrophobicContact CD1-CG 4.4Å; L220-E250 HydrophobicContact CD2-CB 4.19Å; K248-E250 PolarHBondContact O-N 3.39Å; E250-M253 PolarHBondContact O-N 3.22Å; E250-N254 PolarHBondContact O-N 3.39Å; E250-N254 PolarHBondContact O-ND2 3.09Å; E250-V274 HydrophobicContact CG-CG1 4.08Å; E250-W276 VanDerWaalsContact CD-NE1 3.28Å; E250-W276 PolarHBondContact OE1-NE1 3.07Å; E250-W276 PolarHBondContact OE2-NE1 3.2Å; E250-W276 VanDerWaalsContact OE2-NE1 3.16Å
251Q98.7Very high98.7Very high120 Ų12040.9 Ų40.956%0.56120%0.198SC*.Hα-helixtrans-65-45.3178.3-173.2177.423.700111.7K248 L249 M253 N254 N255K248-Q251 PolarHBondContact O-N 2.9Å; K248-Q251 VanDerWaalsContact O-N 3.15Å; L249-Q251 PolarHBondContact O-N 2.91Å; Q251-M253 VanDerWaalsContact C-N 3.32Å; Q251-M253 PolarHBondContact O-N 2.83Å; Q251-N254 PolarHBondContact O-N 3.24Å; Q251-N255 VanDerWaalsContact O-CG 3.26Å; Q251-N255 PolarHBondContact O-N 2.81Å; Q251-N255 PolarHBondContact O-OD1 2.98Å
252Q98.8Very high98.6Very high38 Ų3844 Ų4418%0.17822%0.219CC..Hα-helixtrans-59.5-42.4177.9-72.8171.5-46.200111.6L24 E77 K248 L249 N255 V256L24-Q252 HydrophobicContact CD1-CB 4.09Å; E77-Q252 HydrophobicContact CG-CB 4Å; E77-Q252 HydrophobicContact CG-CG 3.97Å; K248-Q252 HydrophobicContact CB-CG 4.12Å; K248-Q252 WeakPolarHBondContact O-CB 3.27Å; K248-Q252 VanDerWaalsContact O-CG 3.29Å; K248-Q252 WeakPolarHBondContact O-CG 3.48Å; K248-Q252 PolarHBondContact O-N 3.41Å; K248-Q252 PolarHBondContact O-OE1 2.71Å; L249-Q252 PolarHBondContact O-N 2.89Å; Q252-N255 PolarHBondContact O-N 3.4Å; Q252-V256 WeakPolarHBondContact O-CG1 3.29Å; Q252-V256 PolarHBondContact O-N 2.86Å
253M98.8Very high98.6Very high0 Ų046.1 Ų46.10%023%0.229CC..Hα-helixtrans-68.9-39.3176.9-67.7-41.2-6500112.3L17 T20 V21 L24 I222 L249 E250 Q251 N255 V256 L257 V274L17-M253 HydrophobicContact CD1-CE 3.86Å; T20-M253 HydrophobicContact CG2-CE 4.36Å; T20-M253 HydrophobicContact CG2-SD 4.36Å; V21-M253 HydrophobicContact CG2-CE 3.89Å; V21-M253 HydrophobicContact CG2-SD 3.87Å; L24-M253 HydrophobicContact CD1-SD 3.65Å; I222-M253 HydrophobicContact CD1-CG 3.88Å; I222-M253 HydrophobicContact CG1-CG 4.17Å; I222-M253 HydrophobicContact CG2-CB 4.37Å; I222-M253 HydrophobicContact CG2-CE 3.76Å; I222-M253 HydrophobicContact CG2-CG 4.06Å; L249-M253 HydrophobicContact CD1-CG 4.19Å; L249-M253 HydrophobicContact CD1-SD 4.43Å; L249-M253 HydrophobicContact CG-CG 4.39Å; L249-M253 WeakPolarHBondContact O-CB 3.16Å; L249-M253 WeakPolarHBondContact O-CG 3.23Å; L249-M253 PolarHBondContact O-N 3.4Å; E250-M253 PolarHBondContact O-N 3.22Å; Q251-M253 VanDerWaalsContact C-N 3.32Å; Q251-M253 PolarHBondContact O-N 2.83Å; M253-N255 VanDerWaalsContact C-N 3.27Å; M253-N255 PolarHBondContact O-N 3.18Å; M253-V256 HydrophobicContact CE-CG1 3.95Å; M253-V256 PolarHBondContact O-N 2.82Å; M253-V256 HydrophobicContact SD-CG1 4.11Å; M253-L257 HydrophobicContact CB-CD1 4.34Å; M253-L257 HydrophobicContact CB-CG 4.44Å; M253-L257 HydrophobicContact CE-CD2 3.76Å; M253-L257 HydrophobicContact CE-CG 3.92Å; M253-L257 WeakPolarHBondContact O-CB 3.49Å; M253-L257 WeakPolarHBondContact O-CG 3.22Å; M253-L257 PolarHBondContact O-N 3.06Å; M253-V274 HydrophobicContact CB-CG2 3.52Å
254N98.7Very high98.6Very high82 Ų8246.3 Ų46.344%0.43923%0.229SC..Hα-helixtrans-61.3-35.7173.2-79.6-54.2000112.6E250 Q251 P258E250-N254 PolarHBondContact O-N 3.39Å; E250-N254 PolarHBondContact O-ND2 3.09Å; Q251-N254 PolarHBondContact O-N 3.24Å; N254-P258 VanDerWaalsContact O-CD 3.3Å; N254-P258 WeakPolarHBondContact O-CD 3.32Å
255N98.6Very high98.6Very high90 Ų9045.1 Ų45.148%0.48122%0.224SC..Hα-helixtrans-67.4-45.4175.7-67.3-8.1000112E77 Q251 Q252 M253E77-N255 PolarHBondContact OE1-ND2 3.4Å; Q251-N255 VanDerWaalsContact O-CG 3.26Å; Q251-N255 PolarHBondContact O-N 2.81Å; Q251-N255 PolarHBondContact O-OD1 2.98Å; Q252-N255 PolarHBondContact O-N 3.4Å; M253-N255 VanDerWaalsContact C-N 3.27Å; M253-N255 PolarHBondContact O-N 3.18Å
256V98.6Very high98.5Very high0 Ų049.3 Ų49.30%025%0.251CS..Hα-helixtrans-94.6-26.4-165.880.60000114.2P75 E77 L78 Q252 M253 W259 L260P75-V256 HydrophobicContact CB-CG2 3.92Å; P75-V256 HydrophobicContact CG-CG2 4.03Å; E77-V256 HydrophobicContact CB-CB 4.44Å; E77-V256 HydrophobicContact CB-CG2 4.47Å; L78-V256 HydrophobicContact CD1-CG2 3.86Å; L78-V256 HydrophobicContact CD2-CG2 3.64Å; L78-V256 HydrophobicContact CG-CG2 3.59Å; Q252-V256 WeakPolarHBondContact O-CG1 3.29Å; Q252-V256 PolarHBondContact O-N 2.86Å; M253-V256 HydrophobicContact CE-CG1 3.95Å; M253-V256 PolarHBondContact O-N 2.82Å; M253-V256 HydrophobicContact SD-CG1 4.11Å; V256-W259 PolarHBondContact O-N 3.24Å; V256-L260 HydrophobicContact CG1-CD1 4.13Å; V256-L260 HydrophobicContact CG2-CD1 4.29Å; V256-L260 HydrophobicContact CG2-CG 4.19Å; V256-L260 PolarHBondContact O-N 2.75Å
257L98.7Very high98.5Very high4 Ų452.4 Ų52.42%0.02128%0.278CS..Hα-helixtrans-61.2-42.5-176.6-80.8177.6000114L17 I222 L224 M253 W259 L260 H261 A272 V274L17-L257 HydrophobicContact CD1-CD2 3.93Å; I222-L257 HydrophobicContact CG2-CD1 4.1Å; I222-L257 HydrophobicContact CG2-CD2 4.4Å; L224-L257 HydrophobicContact CD1-CD2 4.35Å; M253-L257 HydrophobicContact CB-CD1 4.34Å; M253-L257 HydrophobicContact CB-CG 4.44Å; M253-L257 HydrophobicContact CE-CD2 3.76Å; M253-L257 HydrophobicContact CE-CG 3.92Å; M253-L257 WeakPolarHBondContact O-CB 3.49Å; M253-L257 WeakPolarHBondContact O-CG 3.22Å; M253-L257 PolarHBondContact O-N 3.06Å; L257-W259 VanDerWaalsContact C-N 3.29Å; L257-W259 PolarHBondContact O-N 2.94Å; L257-L260 PolarHBondContact O-N 2.89Å; L257-H261 VanDerWaalsContact O-CB 3.27Å; L257-H261 WeakPolarHBondContact O-CB 3.4Å; L257-H261 PolarHBondContact O-N 3.37Å; L257-A272 HydrophobicContact CB-CB 4Å; L257-A272 HydrophobicContact CD1-CB 4.44Å; L257-A272 HydrophobicContact CD2-CB 4.24Å; L257-A272 HydrophobicContact CG-CB 4.46Å; L257-V274 HydrophobicContact CD1-CG2 3.38Å
258P98.6Very high98.5Very high87 Ų8746.3 Ų46.357%0.56527%0.271SS*.Hα-helixtrans-59.3-42.1175.7-25.235.5000112N254 S262N254-P258 VanDerWaalsContact O-CD 3.3Å; N254-P258 WeakPolarHBondContact O-CD 3.32Å; P258-S262 WeakPolarHBondContact O-CB 3.46Å; P258-S262 PolarHBondContact O-N 2.94Å
259W98.8Very high98.5Very high35 Ų3546 Ų4613%0.13328%0.275CS..Hα-helixtrans-65.3-49.9176.9-173.594.2000111.2I68 Q71 D73 L74 P75 L78 V256 L257 H261 S262 K263I68-W259 HydrophobicContact CB-CH2 4.09Å; I68-W259 HydrophobicContact CB-CZ3 4.07Å; I68-W259 HydrophobicContact CG2-CH2 4.21Å; I68-W259 HydrophobicContact CG2-CZ3 3.92Å; Q71-W259 HydrophobicContact CB-CH2 3.92Å; Q71-W259 HydrophobicContact CB-CZ2 3.73Å; Q71-W259 HydrophobicContact CG-CH2 3.88Å; Q71-W259 HydrophobicContact CG-CZ2 3.9Å; D73-W259 PolarHBondContact O-NE1 3.44Å; D73-W259 PolarHBondContact OD2-NE1 3.42Å; L74-W259 HydrophobicContact CD1-CH2 3.81Å; L74-W259 HydrophobicContact CD1-CZ3 4.23Å; P75-W259 HydrophobicContact CG-CB 4.1Å; P75-W259 HydrophobicContact CG-CD2 3.58Å; P75-W259 HydrophobicContact CG-CE3 3.87Å; P75-W259 HydrophobicContact CG-CG 3.68Å; L78-W259 HydrophobicContact CD1-CE3 3.87Å; L78-W259 HydrophobicContact CD1-CH2 4.41Å; L78-W259 HydrophobicContact CD1-CZ3 3.51Å; V256-W259 PolarHBondContact O-N 3.24Å; L257-W259 VanDerWaalsContact C-N 3.29Å; L257-W259 PolarHBondContact O-N 2.94Å; W259-H261 VanDerWaalsContact C-N 3.35Å; W259-H261 PolarHBondContact O-N 3.16Å; W259-S262 PolarHBondContact O-N 2.75Å; W259-S262 PolarHBondContact O-OG 3.06Å; W259-K263 HydrophobicContact CD2-CG 4Å; W259-K263 VanDerWaalsContact CE2-CE 3.43Å; W259-K263 HydrophobicContact CE3-CG 4.11Å; W259-K263 HydrophobicContact CH2-CG 3.94Å; W259-K263 HydrophobicContact CZ2-CD 4.18Å; W259-K263 HydrophobicContact CZ2-CG 3.83Å; W259-K263 HydrophobicContact CZ3-CG 4.07Å; W259-K263 WeakPolarHBondContact O-CG 3.47Å; W259-K263 PolarHBondContact O-N 2.95Å; W259-K263 VanDerWaalsContact O-N 3.09Å
260L98.7Very high98.4Very high0 Ų047.4 Ų47.40%029%0.29CS..Hα-helixtrans-55.7-49.4176.4-81.5175000111.3V16 T20 I68 L78 L224 V256 L257 S262 K263 L264V16-L260 HydrophobicContact CG1-CD2 3.76Å; T20-L260 HydrophobicContact CG2-CD1 4.47Å; I68-L260 HydrophobicContact CD1-CD2 4.19Å; I68-L260 HydrophobicContact CG2-CD2 4.43Å; L78-L260 HydrophobicContact CD1-CD2 3.76Å; L78-L260 HydrophobicContact CD1-CG 4.25Å; L78-L260 HydrophobicContact CD2-CD1 4.4Å; L78-L260 HydrophobicContact CD2-CD2 4.5Å; L224-L260 HydrophobicContact CD1-CB 4.26Å; V256-L260 HydrophobicContact CG1-CD1 4.13Å; V256-L260 HydrophobicContact CG2-CD1 4.29Å; V256-L260 HydrophobicContact CG2-CG 4.19Å; V256-L260 PolarHBondContact O-N 2.75Å; L257-L260 PolarHBondContact O-N 2.89Å; L260-S262 VanDerWaalsContact C-N 3.32Å; L260-S262 PolarHBondContact O-N 2.8Å; L260-K263 PolarHBondContact O-N 3.05Å; L260-L264 HydrophobicContact CB-CD1 4.3Å; L260-L264 HydrophobicContact CD2-CD1 4.37Å; L260-L264 VanDerWaalsContact O-CB 3.23Å; L260-L264 WeakPolarHBondContact O-CB 3.48Å; L260-L264 WeakPolarHBondContact O-CG 3.49Å; L260-L264 PolarHBondContact O-N 2.95Å
261H98.7Very high98.4Very high26 Ų2647.2 Ų47.212%0.1229%0.289CS..Hα-helixtrans-60.1-42.5179.3-170.9-87.4000111.6A225 L257 W259 K263 V265 T269 H271 A272A225-H261 PolarHBondContact O-NE2 3.2Å; L257-H261 VanDerWaalsContact O-CB 3.27Å; L257-H261 WeakPolarHBondContact O-CB 3.4Å; L257-H261 PolarHBondContact O-N 3.37Å; W259-H261 VanDerWaalsContact C-N 3.35Å; W259-H261 PolarHBondContact O-N 3.16Å; H261-K263 VanDerWaalsContact C-N 3.34Å; H261-K263 PolarHBondContact O-N 3.49Å; H261-V265 WeakPolarHBondContact O-CA 3.28Å; H261-V265 WeakPolarHBondContact O-CB 3.05Å; H261-V265 PolarHBondContact O-N 2.88Å; H261-T269 PolarHBondContact CE1-O 2.72Å; H261-T269 PolarHBondContact NE2-O 3.25Å; H261-H271 PolarHBondContact NE2-N 2.93Å; H261-A272 HydrophobicContact CB-CB 3.93Å
262S98.5Very high98.4Very high65 Ų6543 Ų4346%0.45528%0.275SS..Hα-helixtrans-61.8-38.3178.177.50000113.3P258 W259 L260P258-S262 WeakPolarHBondContact O-CB 3.46Å; P258-S262 PolarHBondContact O-N 2.94Å; W259-S262 PolarHBondContact O-N 2.75Å; W259-S262 PolarHBondContact O-OG 3.06Å; L260-S262 VanDerWaalsContact C-N 3.32Å; L260-S262 PolarHBondContact O-N 2.8Å
263K98.5Very high98.4Very high46 Ų4644.1 Ų44.120%0.228%0.284CS..Hα-helixtrans-81.3-39.5-179.8-58.9-67.8180160.30111.7R67 I68 Q71 D73 W259 L260 H261R67-K263 WeakPolarHBondContact CD-O 3.46Å; I68-K263 HydrophobicContact CG2-CB 3.91Å; Q71-K263 HydrophobicContact CG-CD 4.41Å; D73-K263 VanDerWaalsContact CG-NZ 3.35Å; D73-K263 IonicContact OD1-NZ 3.31Å; D73-K263 PolarHBondContact OD1-NZ 3.09Å; D73-K263 WeakPolarHBondContact OD2-CE 3.45Å; D73-K263 IonicContact OD2-NZ 2.77Å; D73-K263 PolarHBondContact OD2-NZ 3.02Å; W259-K263 HydrophobicContact CD2-CG 4Å; W259-K263 VanDerWaalsContact CE2-CE 3.43Å; W259-K263 HydrophobicContact CE3-CG 4.11Å; W259-K263 HydrophobicContact CH2-CG 3.94Å; W259-K263 HydrophobicContact CZ2-CD 4.18Å; W259-K263 HydrophobicContact CZ2-CG 3.83Å; W259-K263 HydrophobicContact CZ3-CG 4.07Å; W259-K263 WeakPolarHBondContact O-CG 3.47Å; W259-K263 PolarHBondContact O-N 2.95Å; W259-K263 VanDerWaalsContact O-N 3.09Å; L260-K263 PolarHBondContact O-N 3.05Å; H261-K263 VanDerWaalsContact C-N 3.34Å; H261-K263 PolarHBondContact O-N 3.49Å
264L98.5Very high98.4Very high5 Ų545.2 Ų45.23%0.02629%0.291CS..Hα-helixtrans-77.6-29.5-178.3-64.8175.3000112.3H13 V16 R67 I68 L224 L260 P266H13-L264 HydrophobicContact CB-CD1 4.3Å; V16-L264 HydrophobicContact CB-CD1 4.37Å; V16-L264 HydrophobicContact CG1-CD1 3.91Å; V16-L264 HydrophobicContact CG1-CD2 4.38Å; V16-L264 HydrophobicContact CG2-CD2 4.39Å; R67-L264 PolarHBondContact NH1-O 2.78Å; I68-L264 HydrophobicContact CG2-CD2 4.12Å; L224-L264 HydrophobicContact CD1-CD1 3.88Å; L224-L264 HydrophobicContact CD2-CD1 4.47Å; L260-L264 HydrophobicContact CB-CD1 4.3Å; L260-L264 HydrophobicContact CD2-CD1 4.37Å; L260-L264 VanDerWaalsContact O-CB 3.23Å; L260-L264 WeakPolarHBondContact O-CB 3.48Å; L260-L264 WeakPolarHBondContact O-CG 3.49Å; L260-L264 PolarHBondContact O-N 2.95Å; L264-P266 WeakPolarHBondContact O-CD 3.44Å
265V98.4Very high98.4Very high9 Ų943.7 Ų43.76%0.05529%0.287CS..  trans-128.476.3-175.8-161.50000110.5V226 H261 A267 G268 T269V226-V265 HydrophobicContact CB-CG2 3.92Å; V226-V265 HydrophobicContact CG1-CG2 3.69Å; H261-V265 WeakPolarHBondContact O-CA 3.28Å; H261-V265 WeakPolarHBondContact O-CB 3.05Å; H261-V265 PolarHBondContact O-N 2.88Å; V265-A267 PolarHBondContact O-N 2.8Å; V265-G268 PolarHBondContact O-N 2.77Å; V265-T269 WeakPolarHBondContact CG1-O 3.49Å; V265-T269 WeakPolarHBondContact CG1-OG1 3.41Å
266P97.2Very high98.4Very high96 Ų9643.6 Ų43.662%0.62328%0.279SS*.THydrogen-bonded Turntrans-57.3-26.6-177.7-26.434.6000114.2L264 G268L264-P266 WeakPolarHBondContact O-CD 3.44Å; P266-G268 VanDerWaalsContact C-N 3.26Å; P266-G268 PolarHBondContact O-N 2.76Å
267A97.8Very high98.4Very high84 Ų8444.6 Ų44.669%0.69429%0.285SS*.THydrogen-bonded Turntrans-75.4-11.8176.600000113.7V265 T269V265-A267 PolarHBondContact O-N 2.8Å; A267-T269 HydrophobicContact CB-CG2 4.33Å; A267-T269 PolarHBondContact O-N 2.97Å
268G97.6Very high98.4Very high54 Ų5445.1 Ų45.156%0.55729%0.288SS*.  trans67.914.6-178.200000114.9V265 P266V265-G268 PolarHBondContact O-N 2.77Å; P266-G268 VanDerWaalsContact C-N 3.26Å; P266-G268 PolarHBondContact O-N 2.76Å
269T98.2Very high98.3Very high56 Ų5644.3 Ų44.334%0.34428%0.283SS..  trans-73.1160.6174.847.10000111.9V226 H261 V265 A267V226-T269 WeakPolarHBondContact O-CB 3.44Å; V226-T269 PolarHBondContact O-OG1 2.96Å; H261-T269 PolarHBondContact CE1-O 2.72Å; H261-T269 PolarHBondContact NE2-O 3.25Å; V265-T269 WeakPolarHBondContact CG1-O 3.49Å; V265-T269 WeakPolarHBondContact CG1-OG1 3.41Å; A267-T269 HydrophobicContact CB-CG2 4.33Å; A267-T269 PolarHBondContact O-N 2.97Å
270G97.7Very high97.8Very high31 Ų3151.1 Ų51.132%0.3232%0.316SS..SBendtrans76.3-147.218000000112.4A225A225-G270 WeakPolarHBondContact O-CA 3.46Å
271H98.5Very high97.8Very high64 Ų6453.7 Ų53.730%0.29633%0.332SS..EExtended strand (participates in β ladder)trans-162.2162.3-174.958.8-94.7000111.2E223 A225 H261E223-H271 IonicContact OE1-CE1 3.15Å; E223-H271 IonicContact OE1-NE2 2.67Å; E223-H271 PolarHBondContact OE1-NE2 2.86Å; A225-H271 VanDerWaalsContact CB-CE1 3.48Å; A225-H271 WeakPolarHBondContact CB-CE1 3.37Å; A225-H271 PolarHBondContact N-O 3.37Å; A225-H271 PolarHBondContact O-N 3.04Å; A225-H271 VanDerWaalsContact O-N 3.15Å; H261-H271 PolarHBondContact NE2-N 2.93Å
272A98.7Very high97.7Very high32 Ų3255.2 Ų55.226%0.26434%0.343SS..EExtended strand (participates in β ladder)trans-136.4123.3166.800000109.5E223 L224 L257 H261E223-A272 CarbonylContact O-C 3.55Å; E223-A272 VanDerWaalsContact O-CA 3.29Å; E223-A272 WeakPolarHBondContact O-CA 3.41Å; L224-A272 HydrophobicContact CG-CB 4.3Å; L257-A272 HydrophobicContact CB-CB 4Å; L257-A272 HydrophobicContact CD1-CB 4.44Å; L257-A272 HydrophobicContact CD2-CB 4.24Å; L257-A272 HydrophobicContact CG-CB 4.46Å; H261-A272 HydrophobicContact CB-CB 3.93Å
273T98.6Very high97.7Very high61 Ų6154.6 Ų54.637%0.37434%0.337SS..EExtended strand (participates in β ladder)trans-138.6151.2-170.656.80000112.9I222 E223I222-T273 WeakPolarHBondContact CA-O 3.4Å; E223-T273 PolarHBondContact N-O 3.38Å; E223-T273 PolarHBondContact O-N 3.05Å
274V98.8Very high97.6Very high23 Ų2355.1 Ų55.114%0.13935%0.345CS..EExtended strand (participates in β ladder)trans-124.5128.2167.2-170.30000107.9L220 Q221 I222 E250 M253 L257L220-V274 HydrophobicContact CD1-CG1 3.73Å; L220-V274 HydrophobicContact CD2-CG1 4.08Å; L220-V274 HydrophobicContact CG-CG1 4.03Å; Q221-V274 CarbonylContact O-C 3.42Å; Q221-V274 WeakPolarHBondContact O-CA 3.25Å; I222-V274 HydrophobicContact CG1-CG1 4.27Å; E250-V274 HydrophobicContact CG-CG1 4.08Å; M253-V274 HydrophobicContact CB-CG2 3.52Å; L257-V274 HydrophobicContact CD1-CG2 3.38Å
275S98.5Very high97.6Very high50 Ų5058.3 Ų58.335%0.3537%0.365SS..EExtended strand (participates in β ladder)trans-153.8153.9178.456.50000111.7Q221Q221-S275 WeakPolarHBondContact CA-O 3.49Å; Q221-S275 WeakPolarHBondContact CB-O 3.47Å; Q221-S275 PolarHBondContact N-O 3.15Å; Q221-S275 PolarHBondContact O-N 3.12Å
276W98.8Very high97.5Very high87 Ų8761.5 Ų61.533%0.3339%0.385SS..EExtended strand (participates in β ladder)trans-81.8126.6173.4-67.289.7000110.7K218 L220 P245 E250K218-W276 HydrophobicContact CB-CZ3 4.34Å; K218-W276 HydrophobicContact CG-CH2 3.9Å; K218-W276 HydrophobicContact CG-CZ3 3.59Å; L220-W276 HydrophobicContact CB-CE3 4.32Å; L220-W276 HydrophobicContact CB-CZ3 4.22Å; L220-W276 HydrophobicContact CD1-CD2 3.84Å; L220-W276 HydrophobicContact CD1-CE3 4.24Å; L220-W276 HydrophobicContact CD1-CG 4.21Å; L220-W276 HydrophobicContact CD1-CH2 4.43Å; L220-W276 HydrophobicContact CD1-CZ2 4.03Å; P245-W276 HydrophobicContact CG-CH2 3.61Å; P245-W276 HydrophobicContact CG-CZ3 3.91Å; E250-W276 VanDerWaalsContact CD-NE1 3.28Å; E250-W276 PolarHBondContact OE1-NE1 3.07Å; E250-W276 PolarHBondContact OE2-NE1 3.2Å; E250-W276 VanDerWaalsContact OE2-NE1 3.16Å
277I98.6Very high97.6Very high22 Ų2259.1 Ų59.111%0.11337%0.368CS..EExtended strand (participates in β ladder)trans-76.6-52.1166.2-68166.3000108.3I208 E212 I219 Q221 I241I208-I277 HydrophobicContact CD1-CD1 4.26Å; I208-I277 HydrophobicContact CG1-CD1 4.14Å; I208-I277 HydrophobicContact CG2-CD1 4.14Å; I208-I277 HydrophobicContact CG2-CG1 4.23Å; I208-I277 HydrophobicContact CG2-CG2 3.72Å; E212-I277 HydrophobicContact CG-CG2 3.59Å; I219-I277 HydrophobicContact CB-CB 4.23Å; I219-I277 HydrophobicContact CG2-CB 4.03Å; I219-I277 HydrophobicContact CG2-CD1 4.06Å; I219-I277 PolarHBondContact O-N 3.41Å; Q221-I277 HydrophobicContact CB-CD1 3.74Å; Q221-I277 HydrophobicContact CB-CG1 3.81Å; Q221-I277 HydrophobicContact CG-CD1 4.21Å; I241-I277 HydrophobicContact CD1-CD1 3.77Å; I241-I277 HydrophobicContact CG1-CD1 3.85Å; I241-I277 HydrophobicContact CG2-CD1 4.28Å
278V98.5Very high97.5Very high14 Ų1457.2 Ų57.29%0.08534%0.343CS..EExtended strand (participates in β ladder)trans-128.5117.7173.5-172.70000108.4E212 K218 I219E212-V278 HydrophobicContact CG-CG2 3.96Å; K218-V278 CarbonylContact C-O 3.51Å; K218-V278 VanDerWaalsContact CA-O 3.29Å; K218-V278 WeakPolarHBondContact CA-O 3.4Å; K218-V278 PolarHBondContact N-O 3.3Å; K218-V278 VanDerWaalsContact N-O 3.15Å; I219-V278 HydrophobicContact CB-CB 4.21Å; I219-V278 HydrophobicContact CD1-CB 4.27Å; I219-V278 HydrophobicContact CD1-CG2 3.98Å; I219-V278 HydrophobicContact CG1-CB 4.07Å; I219-V278 HydrophobicContact CG1-CG2 4.32Å; I219-V278 PolarHBondContact N-O 3.23Å; I219-V278 PolarHBondContact O-N 2.98Å
279P96.9Very high97.5Very high71 Ų7157.4 Ų57.446%0.46133%0.326SS..  trans-69.2-177.8176.129.7-34.5000111.7R217 K218R217-P279 PolarHBondContact NE-O 3.4Å; R217-P279 PolarHBondContact NH2-O 3.47Å; K218-P279 PolarHBondContact N-O 3.46Å
280E88.8Confident97.5Very high178 Ų17857.5 Ų57.583%0.83232%0.324SS*.  trans-56.30174-167.1160.6165.600112R217 K218R217-E280 PolarHBondContact NE-OXT 2.71Å; R217-E280 VanDerWaalsContact NH2-C 3.28Å; R217-E280 PolarHBondContact NH2-O 3.27Å; R217-E280 PolarHBondContact NH2-OXT 3.31Å; K218-E280 IonicContact NZ-OE2 3.71Å

Retrieved 280 of 280 residues in 168 ms (Link to these results)

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