A0A093HR77_STRCA Loading...

Purine nucleoside phosphorylase LACC1

AlphaFold DB , UniProt , Accession A0A093HR77, Species STRCA (Struthio camelus australis), Gene n/a, Length 438 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
1M81.8Confident87.9Confident165 Ų16533.6 Ų33.681%0.81320%0.195SC*.  0133.80-177-179.6-67.100105.7E3 V37M1-E3 PolarHBondContact O-N 3.28Å; M1-V37 HydrophobicContact CE-CB 4.04Å; M1-V37 HydrophobicContact CE-CG1 4.01Å; M1-V37 HydrophobicContact CE-CG2 4.01Å; M1-V37 HydrophobicContact SD-CB 4.03Å; M1-V37 HydrophobicContact SD-CG1 3.71Å
2V85.4Confident86.7Confident36 Ų3632.3 Ų32.322%0.21819%0.187CC..  trans-63129.8179.11750000109.5A4 V5 P40 K103V2-A4 WeakPolarHBondContact CG1-O 3.13Å; V2-V5 HydrophobicContact CG1-CG2 4.2Å; V2-P40 HydrophobicContact CG1-CB 4.39Å; V2-K103 HydrophobicContact CG1-CB 3.74Å; V2-K103 HydrophobicContact CG2-CB 4.2Å
3E90.4Very high85Confident69 Ų6933.9 Ų33.932%0.32220%0.199SC..  trans-101.5-34.9-177.9-63.2173.814100111.8M1 P40 L41 L99 S100 V101M1-E3 PolarHBondContact O-N 3.28Å; E3-P40 VanDerWaalsContact O-CA 3.32Å; E3-P40 WeakPolarHBondContact O-CA 3.28Å; E3-P40 WeakPolarHBondContact O-CB 3.3Å; E3-L41 PolarHBondContact O-N 2.67Å; E3-L41 VanDerWaalsContact O-N 3.09Å; E3-L99 HydrophobicContact CB-CB 4.44Å; E3-L99 HydrophobicContact CB-CD2 4.03Å; E3-S100 PolarHBondContact OE2-N 3.42Å; E3-S100 PolarHBondContact OE2-OG 3.41Å; E3-V101 HydrophobicContact CG-CB 4.14Å; E3-V101 PolarHBondContact N-O 3.45Å; E3-V101 PolarHBondContact OE2-N 2.9Å
4A93.6Very high82.9Confident0 Ų035.3 Ų35.30%021%0.207CC..EExtended strand (participates in β ladder)trans-136.1149.3176.600000112.2V2 L41 Y43 L94 L99 V101 I102 K103V2-A4 WeakPolarHBondContact CG1-O 3.13Å; A4-L41 CarbonylContact C-O 3.52Å; A4-L41 WeakPolarHBondContact CA-O 3.05Å; A4-Y43 HydrophobicContact CB-CD2 4.33Å; A4-Y43 HydrophobicContact CB-CE2 4.18Å; A4-L94 HydrophobicContact CB-CD2 3.6Å; A4-L99 HydrophobicContact CB-CD1 4.21Å; A4-V101 PolarHBondContact N-O 3.49Å; A4-I102 HydrophobicContact CB-CG1 4.26Å; A4-I102 WeakPolarHBondContact O-CA 3.28Å; A4-K103 PolarHBondContact O-N 2.82Å
5V93.6Very high81.1Confident11 Ų1141.2 Ų41.27%0.06724%0.238CC..EExtended strand (participates in β ladder)trans-116.3123.1171.3-177.50000108.4V2 I7 P40 L41 V42 Y43 K103 V105V2-V5 HydrophobicContact CG1-CG2 4.2Å; V5-I7 HydrophobicContact CG1-CG1 4.18Å; V5-P40 HydrophobicContact CG2-CB 4.14Å; V5-P40 HydrophobicContact CG2-CG 3.95Å; V5-L41 PolarHBondContact N-O 3.27Å; V5-V42 HydrophobicContact CB-CG1 4.48Å; V5-V42 HydrophobicContact CB-CG2 4.32Å; V5-V42 CarbonylContact O-C 3.6Å; V5-V42 WeakPolarHBondContact O-CA 3.1Å; V5-Y43 PolarHBondContact O-N 3.42Å; V5-K103 CarbonylContact C-O 3.59Å; V5-K103 VanDerWaalsContact CA-O 3.28Å; V5-K103 WeakPolarHBondContact CA-O 3.31Å; V5-K103 HydrophobicContact CG2-CB 4.44Å; V5-V105 HydrophobicContact CG1-CG2 3.88Å
6L94.9Very high79.5Confident5 Ų539.5 Ų39.53%0.02623%0.228CC..EExtended strand (participates in β ladder)trans-104123.3172.5173.459.2000109.3Y43 M45 L87 I90 I102 K103 I104 V105L6-Y43 CarbonylContact C-O 3.48Å; L6-Y43 WeakPolarHBondContact CA-O 3.22Å; L6-M45 HydrophobicContact CD1-CB 4.33Å; L6-M45 HydrophobicContact CD1-CG 3.93Å; L6-M45 HydrophobicContact CD1-SD 3.9Å; L6-M45 HydrophobicContact CD2-SD 4.11Å; L6-M45 HydrophobicContact CG-SD 4.29Å; L6-L87 HydrophobicContact CD2-CD2 3.68Å; L6-I90 HydrophobicContact CD1-CD1 3.37Å; L6-I90 HydrophobicContact CD1-CG1 4.47Å; L6-I102 HydrophobicContact CB-CG2 4.18Å; L6-K103 PolarHBondContact N-O 3.2Å; L6-I104 HydrophobicContact CB-CG1 4.34Å; L6-I104 HydrophobicContact CD2-CD1 4.48Å; L6-I104 HydrophobicContact CD2-CG1 4.38Å; L6-I104 CarbonylContact O-C 3.55Å; L6-I104 WeakPolarHBondContact O-CA 3.21Å; L6-V105 PolarHBondContact O-N 2.98Å
7I91.6Very high78Confident5 Ų538.4 Ų38.43%0.02622%0.22CC..EExtended strand (participates in β ladder)trans-106.9113.3176-53.4-179.3000108.2V5 L9 L24 V42 Y43 V44 M45 V105 L133V5-I7 HydrophobicContact CG1-CG1 4.18Å; I7-L9 HydrophobicContact CG2-CD2 3.78Å; I7-L9 HydrophobicContact CG2-CG 4.26Å; I7-L24 HydrophobicContact CD1-CD2 3.61Å; I7-L24 HydrophobicContact CG2-CD2 4.39Å; I7-V42 HydrophobicContact CD1-CG1 3.97Å; I7-V42 HydrophobicContact CG1-CG1 4.37Å; I7-Y43 PolarHBondContact N-O 3Å; I7-V44 HydrophobicContact CB-CG2 4.23Å; I7-V44 HydrophobicContact CD1-CG2 4.23Å; I7-M45 WeakPolarHBondContact O-CG 3.26Å; I7-M45 PolarHBondContact O-N 3.13Å; I7-V105 WeakPolarHBondContact CA-O 3.33Å; I7-V105 HydrophobicContact CG1-CB 4.3Å; I7-V105 HydrophobicContact CG1-CG2 4.5Å; I7-L133 HydrophobicContact CG2-CD1 4.42Å
8D90.8Very high76.4Confident0 Ų042.3 Ų42.30%024%0.24CC..EExtended strand (participates in β ladder)trans-90.1112.6177.9-17712.6000111F10 M45 V105 I106 P107 R110 M114D8-F10 VanDerWaalsContact OD1-CB 3.29Å; D8-F10 WeakPolarHBondContact OD1-CB 3.41Å; D8-F10 PolarHBondContact OD1-N 3.3Å; D8-M45 HydrophobicContact CB-CG 4.11Å; D8-M45 HydrophobicContact CB-SD 4.18Å; D8-V105 PolarHBondContact N-O 2.73Å; D8-I106 HydrophobicContact CB-CB 4.22Å; D8-I106 HydrophobicContact CB-CD1 4.13Å; D8-I106 HydrophobicContact CB-CG1 3.89Å; D8-I106 WeakPolarHBondContact OD2-CD1 3.24Å; D8-P107 VanDerWaalsContact O-CD 3.27Å; D8-P107 WeakPolarHBondContact O-CD 3.42Å; D8-R110 IonicContact OD1-NE 2.83Å; D8-R110 IonicContact OD1-NH2 3.28Å; D8-R110 IonicContact OD2-CZ 3.53Å; D8-R110 IonicContact OD2-NE 3.96Å; D8-R110 PolarHBondContact OD2-NE 3.42Å; D8-R110 IonicContact OD2-NH2 3.51Å; D8-R110 PolarHBondContact OD2-NH2 2.78Å; D8-M114 HydrophobicContact CB-CE 4.17Å; D8-M114 WeakPolarHBondContact OD2-CE 3.36Å
9L86.8Confident75.4Confident15 Ų1542.9 Ų42.98%0.07925%0.247CC..  trans-105.85.7175.9-53.6-178.7000112.8I7 L12 I20 V44 M45 L133I7-L9 HydrophobicContact CG2-CD2 3.78Å; I7-L9 HydrophobicContact CG2-CG 4.26Å; L9-L12 HydrophobicContact CB-CD1 4.04Å; L9-L12 HydrophobicContact CD2-CD1 3.74Å; L9-I20 HydrophobicContact CD1-CD1 4.38Å; L9-I20 HydrophobicContact CD1-CG2 3.85Å; L9-I20 HydrophobicContact CD2-CD1 4.33Å; L9-I20 HydrophobicContact CD2-CG2 4.33Å; L9-V44 HydrophobicContact CD1-CG1 3.43Å; L9-V44 VanDerWaalsContact CD1-CG1 3.43Å; L9-V44 HydrophobicContact CG-CG1 3.99Å; L9-M45 WeakPolarHBondContact CB-O 3.35Å; L9-M45 PolarHBondContact N-O 3.46Å; L9-L133 HydrophobicContact CD2-CD2 4.18Å
10F84.3Confident74.7Confident11 Ų1140.9 Ų40.95%0.04824%0.235CC..THydrogen-bonded Turntrans-63.8143.7176.9-85.4-108.1000111.2D8 L12 M45 C46 C47 T82 A86 R110D8-F10 VanDerWaalsContact OD1-CB 3.29Å; D8-F10 WeakPolarHBondContact OD1-CB 3.41Å; D8-F10 PolarHBondContact OD1-N 3.3Å; F10-L12 PolarHBondContact O-N 3.17Å; F10-M45 HydrophobicContact CD2-CB 4.39Å; F10-M45 HydrophobicContact CD2-CE 3.49Å; F10-M45 VanDerWaalsContact CD2-CE 3.49Å; F10-M45 HydrophobicContact CD2-CG 4.19Å; F10-M45 HydrophobicContact CE2-CB 4.12Å; F10-M45 HydrophobicContact CE2-CE 3.55Å; F10-M45 HydrophobicContact CE2-CG 4.38Å; F10-M45 HydrophobicContact CG-CE 4.35Å; F10-M45 HydrophobicContact CZ-CE 4.46Å; F10-C46 VanDerWaalsContact CE2-O 3.3Å; F10-C46 WeakPolarHBondContact CE2-O 3.47Å; F10-C46 VanDerWaalsContact CZ-C 3.48Å; F10-C46 VanDerWaalsContact CZ-O 3.28Å; F10-C46 WeakPolarHBondContact CZ-O 3.38Å; F10-C47 HydrophobicContact CD1-CB 3.75Å; F10-C47 HydrophobicContact CE1-CB 3.6Å; F10-C47 HydrophobicContact CG-CB 4.39Å; F10-C47 HydrophobicContact CZ-CB 4.15Å; F10-T82 WeakPolarHBondContact CZ-O 3.25Å; F10-A86 HydrophobicContact CE2-CB 3.94Å; F10-A86 HydrophobicContact CZ-CB 4.09Å; F10-R110 VanDerWaalsContact CB-CZ 3.49Å; F10-R110 WeakPolarHBondContact O-CD 3.4Å; F10-R110 PolarHBondContact O-NE 2.86Å
11G73.6Confident74Confident53 Ų5343.3 Ų43.355%0.54625%0.245SC..THydrogen-bonded Turntrans71.16176.500000115.2
12L73.8Confident73Confident18 Ų1840.8 Ų40.89%0.09423%0.234CC..  trans-73135.3171.8-71.6178.2000111L9 F10 I20 P107 L133 M135L9-L12 HydrophobicContact CB-CD1 4.04Å; L9-L12 HydrophobicContact CD2-CD1 3.74Å; F10-L12 PolarHBondContact O-N 3.17Å; L12-I20 HydrophobicContact CD1-CD1 3.77Å; L12-P107 HydrophobicContact CD2-CG 3.74Å; L12-P107 HydrophobicContact CG-CG 4.27Å; L12-L133 HydrophobicContact CD1-CD2 4.03Å; L12-M135 HydrophobicContact CD2-SD 3.64Å
13P64.8Low72Confident53 Ų5340.7 Ų40.734%0.34423%0.232SC..  trans-57.4143172.8-25.434.6000112.7N15 L16P13-N15 VanDerWaalsContact C-N 3.25Å; P13-N15 WeakPolarHBondContact CB-OD1 3.2Å; P13-N15 PolarHBondContact O-N 3.1Å; P13-L16 HydrophobicContact CB-CD1 4.08Å; P13-L16 HydrophobicContact CG-CD1 3.93Å; P13-L16 PolarHBondContact O-N 2.91Å; P13-L16 VanDerWaalsContact O-N 3.1Å
14V55.8Low70.8Confident53 Ų5337.8 Ų37.832%0.32122%0.219SC..G310 helixtrans-59.4-34.7-176.6-177.10000112.3L16 Q17 E57V14-L16 PolarHBondContact O-N 3.22Å; V14-Q17 WeakPolarHBondContact O-CB 3.45Å; V14-Q17 WeakPolarHBondContact O-CG 3.38Å; V14-Q17 PolarHBondContact O-N 3.24Å; V14-E57 HydrophobicContact CG1-CB 4.4Å
15N54.8Low69.4Low124 Ų12440.2 Ų40.266%0.66324%0.235SC*.G310 helixtrans-67.4-17.4179.263-16.1000114.6P13P13-N15 VanDerWaalsContact C-N 3.25Å; P13-N15 WeakPolarHBondContact CB-OD1 3.2Å; P13-N15 PolarHBondContact O-N 3.1Å
16L55.8Low67.9Low14 Ų1444.9 Ų44.97%0.07326%0.26CS..G310 helixtrans-85.7-12.8173.4-86.9137.1000112.6P13 V14 N18 S19 I20 M135 C139P13-L16 HydrophobicContact CB-CD1 4.08Å; P13-L16 HydrophobicContact CG-CD1 3.93Å; P13-L16 PolarHBondContact O-N 2.91Å; P13-L16 VanDerWaalsContact O-N 3.1Å; V14-L16 PolarHBondContact O-N 3.22Å; L16-N18 VanDerWaalsContact C-N 3.31Å; L16-N18 PolarHBondContact O-N 2.96Å; L16-S19 WeakPolarHBondContact O-CB 3.27Å; L16-S19 PolarHBondContact O-N 3.04Å; L16-I20 WeakPolarHBondContact O-CG1 3.45Å; L16-I20 PolarHBondContact O-N 3.3Å; L16-M135 HydrophobicContact CD2-CE 3.87Å; L16-M135 HydrophobicContact CD2-SD 3.81Å; L16-C139 HydrophobicContact CD1-CB 4.31Å; L16-C139 VanDerWaalsContact CD1-SG 3.56Å
17Q53.5Low66.5Low20 Ų2047 Ų479%0.09327%0.271CS..Hα-helixtrans-64.5-32.5-173.4-68.4-179.1-5.400113.1V14 S19 I20 L61V14-Q17 WeakPolarHBondContact O-CB 3.45Å; V14-Q17 WeakPolarHBondContact O-CG 3.38Å; V14-Q17 PolarHBondContact O-N 3.24Å; Q17-S19 VanDerWaalsContact C-N 3.27Å; Q17-S19 PolarHBondContact O-N 2.77Å; Q17-I20 HydrophobicContact CB-CD1 4.4Å; Q17-I20 HydrophobicContact CG-CD1 4.14Å; Q17-I20 WeakPolarHBondContact O-CB 3.36Å; Q17-I20 PolarHBondContact O-N 3Å; Q17-I20 VanDerWaalsContact O-N 3.16Å; Q17-L61 HydrophobicContact CB-CD1 3.77Å; Q17-L61 HydrophobicContact CB-CD2 4.14Å; Q17-L61 HydrophobicContact CB-CG 4.36Å; Q17-L61 HydrophobicContact CG-CD1 4.48Å; Q17-L61 HydrophobicContact CG-CD2 3.96Å; Q17-L61 VanDerWaalsContact O-CD1 3.25Å; Q17-L61 WeakPolarHBondContact O-CD1 3.48Å
18N50.1Low65.1Low110 Ų11047.1 Ų47.159%0.58827%0.271SS*.Hα-helixtrans-68-24.9174.3-68.5-27.2000113.2L16L16-N18 VanDerWaalsContact C-N 3.31Å; L16-N18 PolarHBondContact O-N 2.96Å
19S57.7Low63.6Low54 Ų5448.3 Ų48.338%0.37828%0.284SS..Hα-helixtrans-85.3-13174.9-176.90000112.9L16 Q17 Q21 L23L16-S19 WeakPolarHBondContact O-CB 3.27Å; L16-S19 PolarHBondContact O-N 3.04Å; Q17-S19 VanDerWaalsContact C-N 3.27Å; Q17-S19 PolarHBondContact O-N 2.77Å; S19-Q21 VanDerWaalsContact C-N 3.33Å; S19-L23 WeakPolarHBondContact O-CB 2.99Å; S19-L23 PolarHBondContact O-N 3.27Å
20I61.3Low62Low1 Ų150.5 Ų50.51%0.00530%0.298CS..Hα-helixtrans-70.4-31-178.6-68.5174.6000110.8L9 L12 L16 Q17 L23 L24 L61L9-I20 HydrophobicContact CD1-CD1 4.38Å; L9-I20 HydrophobicContact CD1-CG2 3.85Å; L9-I20 HydrophobicContact CD2-CD1 4.33Å; L9-I20 HydrophobicContact CD2-CG2 4.33Å; L12-I20 HydrophobicContact CD1-CD1 3.77Å; L16-I20 WeakPolarHBondContact O-CG1 3.45Å; L16-I20 PolarHBondContact O-N 3.3Å; Q17-I20 HydrophobicContact CB-CD1 4.4Å; Q17-I20 HydrophobicContact CG-CD1 4.14Å; Q17-I20 WeakPolarHBondContact O-CB 3.36Å; Q17-I20 PolarHBondContact O-N 3Å; Q17-I20 VanDerWaalsContact O-N 3.16Å; I20-L23 PolarHBondContact O-N 3.05Å; I20-L24 HydrophobicContact CG2-CD1 3.58Å; I20-L24 HydrophobicContact CG2-CG 3.87Å; I20-L24 VanDerWaalsContact O-CB 3.31Å; I20-L24 WeakPolarHBondContact O-CB 3.4Å; I20-L24 WeakPolarHBondContact O-CG 3.44Å; I20-L24 PolarHBondContact O-N 3.07Å; I20-L61 HydrophobicContact CB-CD1 4.49Å
21Q59.7Low60.5Low93 Ų9352 Ų5244%0.43531%0.308SS..Hα-helixtrans-65-45.9179.9-155.117310.600111.5S19 L24 C25S19-Q21 VanDerWaalsContact C-N 3.33Å; Q21-L24 PolarHBondContact O-N 3.44Å; Q21-C25 WeakPolarHBondContact O-CB 3.31Å; Q21-C25 PolarHBondContact O-N 2.91Å; Q21-C25 PolarHBondContact O-SG 3.1Å
22D61.2Low59.6Low111 Ų11154.6 Ų54.659%0.59431%0.306SS*.Hα-helixtrans-65.9-38.7174.6-72.6-25000112C25 N26D22-C25 PolarHBondContact O-N 3.03Å; D22-N26 WeakPolarHBondContact O-CB 3.41Å; D22-N26 VanDerWaalsContact O-CG 3.22Å; D22-N26 PolarHBondContact O-N 2.84Å; D22-N26 PolarHBondContact O-ND2 3.17Å
23L64.4Low58.4Low34 Ų3461.9 Ų61.918%0.17834%0.339CS..Hα-helixtrans-62.1-46.8175.5-164.182.2000111.3S19 I20 N26 M27 L133 Q134 M135S19-L23 WeakPolarHBondContact O-CB 2.99Å; S19-L23 PolarHBondContact O-N 3.27Å; I20-L23 PolarHBondContact O-N 3.05Å; L23-N26 PolarHBondContact O-N 3.21Å; L23-M27 WeakPolarHBondContact O-CB 3.45Å; L23-M27 WeakPolarHBondContact O-CG 3.3Å; L23-M27 PolarHBondContact O-N 3.36Å; L23-L133 HydrophobicContact CD2-CD1 3.57Å; L23-L133 HydrophobicContact CD2-CD2 4.44Å; L23-L133 HydrophobicContact CD2-CG 3.99Å; L23-Q134 WeakPolarHBondContact CD1-O 3.3Å; L23-M135 HydrophobicContact CD2-CE 4.09Å
24L65.4Low57.4Low9 Ų969.9 Ų69.95%0.04736%0.363CS..Hα-helixtrans-65.1-41.1177.1-72.9172.7000111.3I7 I20 Q21 N26 M27 L28 V44 L65I7-L24 HydrophobicContact CD1-CD2 3.61Å; I7-L24 HydrophobicContact CG2-CD2 4.39Å; I20-L24 HydrophobicContact CG2-CD1 3.58Å; I20-L24 HydrophobicContact CG2-CG 3.87Å; I20-L24 VanDerWaalsContact O-CB 3.31Å; I20-L24 WeakPolarHBondContact O-CB 3.4Å; I20-L24 WeakPolarHBondContact O-CG 3.44Å; I20-L24 PolarHBondContact O-N 3.07Å; Q21-L24 PolarHBondContact O-N 3.44Å; L24-N26 PolarHBondContact O-N 3.16Å; L24-M27 PolarHBondContact O-N 3.02Å; L24-L28 WeakPolarHBondContact O-CB 3.46Å; L24-L28 WeakPolarHBondContact O-CD1 3.45Å; L24-L28 WeakPolarHBondContact O-CG 3.29Å; L24-L28 PolarHBondContact O-N 3.13Å; L24-V44 HydrophobicContact CD2-CG2 4.13Å; L24-L65 HydrophobicContact CD1-CD2 3.35Å
25C62.9Low56.8Low50 Ų5069.5 Ų69.534%0.33836%0.362SS..Hα-helixtrans-57.5-48173.2-76.10000111.9Q21 D22 G29 F68Q21-C25 WeakPolarHBondContact O-CB 3.31Å; Q21-C25 PolarHBondContact O-N 2.91Å; Q21-C25 PolarHBondContact O-SG 3.1Å; D22-C25 PolarHBondContact O-N 3.03Å; C25-G29 PolarHBondContact O-N 3.17Å; C25-F68 WeakPolarHBondContact SG-CE2 3.33Å; C25-F68 VanDerWaalsContact SG-CZ 3.56Å
26N63.7Low56.3Low110 Ų11069.9 Ų69.959%0.58838%0.375SS*.Hα-helixtrans-67.5-43.9-179.9-72-26.6000112.2D22 L23 L24 T30D22-N26 WeakPolarHBondContact O-CB 3.41Å; D22-N26 VanDerWaalsContact O-CG 3.22Å; D22-N26 PolarHBondContact O-N 2.84Å; D22-N26 PolarHBondContact O-ND2 3.17Å; L23-N26 PolarHBondContact O-N 3.21Å; L24-N26 PolarHBondContact O-N 3.16Å; N26-T30 WeakPolarHBondContact O-CB 3.39Å; N26-T30 WeakPolarHBondContact O-CG2 3.47Å; N26-T30 PolarHBondContact O-N 3.32Å; N26-T30 PolarHBondContact O-OG1 3.32Å
27M63.7Low56.3Low50 Ų5072.9 Ų72.925%0.24639%0.394CS..Hα-helixtrans-65-42.8177.9-71.2-66.6-78.700111.5L23 L24 T30 T31 V105L23-M27 WeakPolarHBondContact O-CB 3.45Å; L23-M27 WeakPolarHBondContact O-CG 3.3Å; L23-M27 PolarHBondContact O-N 3.36Å; L24-M27 PolarHBondContact O-N 3.02Å; M27-T30 PolarHBondContact O-OG1 3.49Å; M27-T31 PolarHBondContact O-N 3.06Å; M27-T31 VanDerWaalsContact O-N 3.11Å; M27-T31 PolarHBondContact O-OG1 2.99Å; M27-V105 HydrophobicContact CE-CG1 3.98Å; M27-V105 HydrophobicContact CE-CG2 4.04Å
28L62.6Low56.8Low6 Ų676.1 Ų76.13%0.03142%0.418CS..Hα-helixtrans-72.9-33.4-179.5-70.6168.9000112.6L24 T31 E32 V42 F68 K72 L75L24-L28 WeakPolarHBondContact O-CB 3.46Å; L24-L28 WeakPolarHBondContact O-CD1 3.45Å; L24-L28 WeakPolarHBondContact O-CG 3.29Å; L24-L28 PolarHBondContact O-N 3.13Å; L28-T31 WeakPolarHBondContact CA-OG1 3.17Å; L28-T31 PolarHBondContact O-OG1 3Å; L28-E32 PolarHBondContact O-N 2.93Å; L28-V42 HydrophobicContact CD2-CB 3.98Å; L28-V42 HydrophobicContact CD2-CG1 3.83Å; L28-V42 HydrophobicContact CD2-CG2 3.64Å; L28-F68 HydrophobicContact CD1-CD1 4.11Å; L28-F68 HydrophobicContact CD1-CE1 3.48Å; L28-F68 VanDerWaalsContact CD1-CE1 3.48Å; L28-F68 HydrophobicContact CD1-CZ 4.43Å; L28-K72 HydrophobicContact CD1-CD 4.47Å; L28-L75 HydrophobicContact CD1-CD1 4.19Å; L28-L75 HydrophobicContact CD1-CD2 4.2Å
29G59.3Low57.9Low26 Ų2672 Ų7227%0.26840%0.399SS..Hα-helixtrans-66.3-44172.800000112.5C25 T31 E32 E33C25-G29 PolarHBondContact O-N 3.17Å; G29-T31 PolarHBondContact O-N 3.38Å; G29-E32 PolarHBondContact O-N 3.02Å; G29-E33 PolarHBondContact O-N 3.08Å
30T54.6Low58.9Low60 Ų6070.5 Ų70.537%0.36839%0.388SS..Hα-helixtrans-69.7-29.917951.80000113.7N26 M27 R34N26-T30 WeakPolarHBondContact O-CB 3.39Å; N26-T30 WeakPolarHBondContact O-CG2 3.47Å; N26-T30 PolarHBondContact O-N 3.32Å; N26-T30 PolarHBondContact O-OG1 3.32Å; M27-T30 PolarHBondContact O-OG1 3.49Å; T30-R34 WeakPolarHBondContact O-CG 3.41Å
31T52.8Low60.2Low44 Ų4472.4 Ų72.427%0.2740%0.399SS..Hα-helixtrans-71-29.7172.543.90000113.7M27 L28 G29M27-T31 PolarHBondContact O-N 3.06Å; M27-T31 VanDerWaalsContact O-N 3.11Å; M27-T31 PolarHBondContact O-OG1 2.99Å; L28-T31 WeakPolarHBondContact CA-OG1 3.17Å; L28-T31 PolarHBondContact O-OG1 3Å; G29-T31 PolarHBondContact O-N 3.38Å
32E52.9Low61.7Low107 Ų10768.3 Ų68.350%0.538%0.38SS..Hα-helixtrans-79.4-34.8178.3-76.8171.9-17600112.3L28 G29 K72L28-E32 PolarHBondContact O-N 2.93Å; G29-E32 PolarHBondContact O-N 3.02Å; E32-K72 IonicContact OE1-NZ 3.16Å; E32-K72 PolarHBondContact OE1-NZ 3.39Å; E32-K72 IonicContact OE2-NZ 2.62Å; E32-K72 PolarHBondContact OE2-NZ 3.19Å
33E48.8Very low63.2Low170 Ų17063.2 Ų63.279%0.79435%0.352SS*.Hα-helixtrans-73.9-23.7180-73.9-178.7167.200114.1G29G29-E33 PolarHBondContact O-N 3.08Å
34R45.4Very low64.4Low221 Ų22161.6 Ų61.683%0.83434%0.344SS*.THydrogen-bonded Turntrans-93.7-4.1-172.5-73.6-177.3178-176.82115.5T30T30-R34 WeakPolarHBondContact O-CG 3.41Å
35S42.3Very low65.6Low45 Ų4561.1 Ų61.132%0.31534%0.341SS..  trans-118.9114.5-177.575.70000113.6V37S35-V37 VanDerWaalsContact CB-O 3.26Å; S35-V37 WeakPolarHBondContact CB-O 3.5Å; S35-V37 PolarHBondContact O-N 3.43Å; S35-V37 PolarHBondContact OG-O 3.23Å
36S44.8Very low66.7Low132 Ų13259.1 Ų59.192%0.92333%0.328SS*.SBendtrans-78.8-1.6165.456.50000113.4
37V55.1Low67.4Low78 Ų7855.7 Ų55.747%0.47331%0.312SS..SBendtrans-115.5155174.9179.90000107.8M1 S35 A39M1-V37 HydrophobicContact CE-CB 4.04Å; M1-V37 HydrophobicContact CE-CG1 4.01Å; M1-V37 HydrophobicContact CE-CG2 4.01Å; M1-V37 HydrophobicContact SD-CB 4.03Å; M1-V37 HydrophobicContact SD-CG1 3.71Å; S35-V37 VanDerWaalsContact CB-O 3.26Å; S35-V37 WeakPolarHBondContact CB-O 3.5Å; S35-V37 PolarHBondContact O-N 3.43Å; S35-V37 PolarHBondContact OG-O 3.23Å; V37-A39 PolarHBondContact O-N 3.28Å; V37-A39 VanDerWaalsContact O-N 3.08Å
38S65.1Low67.7Low87 Ų8758 Ų5861%0.60832%0.322SS*.  trans-38.6114.4-179.6175.50000113.2R74S38-R74 PolarHBondContact OG-NH1 2.83Å; S38-R74 PolarHBondContact OG-NH2 2.86Å
39A71.7Confident67.4Low23 Ų2361.7 Ų61.719%0.1935%0.345CS..PPolyproline II helixtrans-53.6145.518000000113.2V37 R74V37-A39 PolarHBondContact O-N 3.28Å; V37-A39 VanDerWaalsContact O-N 3.08Å; A39-R74 VanDerWaalsContact N-NH1 3.12Å; A39-R74 PolarHBondContact O-NH1 3.43Å
40P80.4Confident66.6Low23 Ų2368 Ų6815%0.14937%0.368CS..PPolyproline II helixtrans-63.3155.1-179.927.8-35.2000112V2 E3 V5V2-P40 HydrophobicContact CG1-CB 4.39Å; E3-P40 VanDerWaalsContact O-CA 3.32Å; E3-P40 WeakPolarHBondContact O-CA 3.28Å; E3-P40 WeakPolarHBondContact O-CB 3.3Å; V5-P40 HydrophobicContact CG2-CB 4.14Å; V5-P40 HydrophobicContact CG2-CG 3.95Å
41L88.4Confident65.8Low42 Ų4276.5 Ų76.522%0.2239%0.393CS..EExtended strand (participates in β ladder)trans-77.6141.9169.1-73.1168.8000110E3 A4 V5 Y43 R74 K97 L99E3-L41 PolarHBondContact O-N 2.67Å; E3-L41 VanDerWaalsContact O-N 3.09Å; A4-L41 CarbonylContact C-O 3.52Å; A4-L41 WeakPolarHBondContact CA-O 3.05Å; V5-L41 PolarHBondContact N-O 3.27Å; L41-Y43 HydrophobicContact CB-CE2 4.13Å; L41-R74 HydrophobicContact CD2-CB 3.94Å; L41-R74 HydrophobicContact CD2-CG 4.03Å; L41-K97 HydrophobicContact CD1-CD 3.31Å; L41-L99 HydrophobicContact CD1-CD1 3.89Å
42V90.2Very high65Low7 Ų779.4 Ų79.44%0.04242%0.415CS..EExtended strand (participates in β ladder)trans-116124.1-174.7-173.80000109.8V5 I7 L28 R74 L75 E76V5-V42 HydrophobicContact CB-CG1 4.48Å; V5-V42 HydrophobicContact CB-CG2 4.32Å; V5-V42 CarbonylContact O-C 3.6Å; V5-V42 WeakPolarHBondContact O-CA 3.1Å; I7-V42 HydrophobicContact CD1-CG1 3.97Å; I7-V42 HydrophobicContact CG1-CG1 4.37Å; L28-V42 HydrophobicContact CD2-CB 3.98Å; L28-V42 HydrophobicContact CD2-CG1 3.83Å; L28-V42 HydrophobicContact CD2-CG2 3.64Å; V42-R74 PolarHBondContact N-O 3.31Å; V42-L75 HydrophobicContact CB-CD1 3.81Å; V42-L75 HydrophobicContact CG1-CD1 3.62Å; V42-L75 CarbonylContact O-C 3.53Å; V42-L75 WeakPolarHBondContact O-CA 3.36Å; V42-E76 PolarHBondContact O-N 3.04Å
43Y92.1Very high64.3Low3 Ų383.4 Ų83.41%0.01243%0.434CS..EExtended strand (participates in β ladder)trans-110.3129.2174.7-63.9-84.7000109A4 V5 L6 I7 L41 E76 I90 R93 L94A4-Y43 HydrophobicContact CB-CD2 4.33Å; A4-Y43 HydrophobicContact CB-CE2 4.18Å; V5-Y43 PolarHBondContact O-N 3.42Å; L6-Y43 CarbonylContact C-O 3.48Å; L6-Y43 WeakPolarHBondContact CA-O 3.22Å; I7-Y43 PolarHBondContact N-O 3Å; L41-Y43 HydrophobicContact CB-CE2 4.13Å; Y43-E76 CarbonylContact C-O 3.48Å; Y43-E76 VanDerWaalsContact CA-O 3.31Å; Y43-E76 WeakPolarHBondContact CA-O 3.41Å; Y43-E76 HydrophobicContact CD1-CB 3.92Å; Y43-E76 HydrophobicContact CD1-CG 4.41Å; Y43-E76 HydrophobicContact CE1-CB 4.01Å; Y43-E76 HydrophobicContact CE1-CG 4.41Å; Y43-E76 WeakPolarHBondContact CE1-OE2 3.31Å; Y43-I90 HydrophobicContact CD1-CG1 4.37Å; Y43-I90 HydrophobicContact CD1-CG2 4.47Å; Y43-I90 HydrophobicContact CG-CG2 4.2Å; Y43-R93 HydrophobicContact CE1-CB 3.61Å; Y43-R93 HydrophobicContact CE1-CG 4.06Å; Y43-L94 HydrophobicContact CD2-CD2 4.32Å; Y43-L94 HydrophobicContact CE2-CD2 3.76Å
44V89.6Confident64.2Low0 Ų086 Ų860%044%0.437CS..EExtended strand (participates in β ladder)trans-114.4121.3174.6179.20000107.9I7 L9 L24 L65 L75 E76 V77 V78I7-V44 HydrophobicContact CB-CG2 4.23Å; I7-V44 HydrophobicContact CD1-CG2 4.23Å; L9-V44 HydrophobicContact CD1-CG1 3.43Å; L9-V44 VanDerWaalsContact CD1-CG1 3.43Å; L9-V44 HydrophobicContact CG-CG1 3.99Å; L24-V44 HydrophobicContact CD2-CG2 4.13Å; V44-L65 HydrophobicContact CG1-CD2 4.5Å; V44-L75 HydrophobicContact CG2-CD1 3.69Å; V44-E76 PolarHBondContact N-O 2.83Å; V44-V77 HydrophobicContact CB-CG2 4.44Å; V44-V77 CarbonylContact O-C 3.59Å; V44-V77 WeakPolarHBondContact O-CA 3.41Å; V44-V78 PolarHBondContact O-N 3.11Å
45M91.3Very high64.4Low0 Ų080.6 Ų80.60%042%0.424CS..EExtended strand (participates in β ladder)trans-105.7134.4178.862.9-179.5-73.700112.8L6 I7 D8 L9 F10 V78 T83 A86 L87 I90 M114L6-M45 HydrophobicContact CD1-CB 4.33Å; L6-M45 HydrophobicContact CD1-CG 3.93Å; L6-M45 HydrophobicContact CD1-SD 3.9Å; L6-M45 HydrophobicContact CD2-SD 4.11Å; L6-M45 HydrophobicContact CG-SD 4.29Å; I7-M45 WeakPolarHBondContact O-CG 3.26Å; I7-M45 PolarHBondContact O-N 3.13Å; D8-M45 HydrophobicContact CB-CG 4.11Å; D8-M45 HydrophobicContact CB-SD 4.18Å; L9-M45 WeakPolarHBondContact CB-O 3.35Å; L9-M45 PolarHBondContact N-O 3.46Å; F10-M45 HydrophobicContact CD2-CB 4.39Å; F10-M45 HydrophobicContact CD2-CE 3.49Å; F10-M45 VanDerWaalsContact CD2-CE 3.49Å; F10-M45 HydrophobicContact CD2-CG 4.19Å; F10-M45 HydrophobicContact CE2-CB 4.12Å; F10-M45 HydrophobicContact CE2-CE 3.55Å; F10-M45 HydrophobicContact CE2-CG 4.38Å; F10-M45 HydrophobicContact CG-CE 4.35Å; F10-M45 HydrophobicContact CZ-CE 4.46Å; M45-V78 VanDerWaalsContact CA-O 3.3Å; M45-V78 WeakPolarHBondContact CA-O 3.4Å; M45-T83 HydrophobicContact CE-CG2 3.82Å; M45-A86 HydrophobicContact CB-CB 4.14Å; M45-A86 HydrophobicContact CE-CB 3.84Å; M45-L87 HydrophobicContact CE-CD2 4.36Å; M45-L87 HydrophobicContact CE-CG 4.11Å; M45-L87 HydrophobicContact SD-CD2 3.85Å; M45-L87 HydrophobicContact SD-CG 4.26Å; M45-I90 HydrophobicContact CB-CD1 3.83Å; M45-I90 HydrophobicContact CG-CD1 4.43Å; M45-I90 HydrophobicContact SD-CD1 4.22Å; M45-M114 HydrophobicContact SD-CE 4.14Å
46C86.1Confident64.9Low8 Ų885.2 Ų85.25%0.05445%0.445CS..EExtended strand (participates in β ladder)trans-139.5146.5-170.329.20000111.8F10 V77 V78 C79 A80F10-C46 VanDerWaalsContact CE2-O 3.3Å; F10-C46 WeakPolarHBondContact CE2-O 3.47Å; F10-C46 VanDerWaalsContact CZ-C 3.48Å; F10-C46 VanDerWaalsContact CZ-O 3.28Å; F10-C46 WeakPolarHBondContact CZ-O 3.38Å; C46-V77 VanDerWaalsContact SG-CG1 3.56Å; C46-V78 PolarHBondContact N-O 3.2Å; C46-V78 VanDerWaalsContact N-O 3.12Å; C46-V78 PolarHBondContact SG-O 2.79Å; C46-V78 VanDerWaalsContact SG-O 3.39Å; C46-C79 HydrophobicContact CB-CB 4.21Å; C46-C79 WeakPolarHBondContact CB-SG 3.31Å; C46-C79 VanDerWaalsContact O-CA 3.26Å; C46-C79 WeakPolarHBondContact O-CA 3.1Å; C46-C79 WeakPolarHBondContact SG-CA 3.49Å; C46-C79 WeakPolarHBondContact SG-CB 3.34Å; C46-C79 CovalentContact SG-SG 2.07Å; C46-C79 PolarHBondContact SG-SG 2.82Å; C46-A80 PolarHBondContact O-N 2.92Å; C46-A80 VanDerWaalsContact O-N 3.09Å
47C79Confident65.3Low38 Ų3883.6 Ų83.626%0.25742%0.423SS..EExtended strand (participates in β ladder)trans-79.9130.8173.6-171.60000111.2F10 Q58 A80F10-C47 HydrophobicContact CD1-CB 3.75Å; F10-C47 HydrophobicContact CE1-CB 3.6Å; F10-C47 HydrophobicContact CG-CB 4.39Å; F10-C47 HydrophobicContact CZ-CB 4.15Å; C47-Q58 PolarHBondContact O-NE2 2.91Å; C47-Q58 VanDerWaalsContact O-NE2 3.08Å; C47-A80 CarbonylContact C-O 3.59Å; C47-A80 WeakPolarHBondContact CA-O 3.18Å
48Q69Low65.3Low99 Ų9981.3 Ų81.346%0.46341%0.407SS..  trans-93.189.8169.4-171.1177.25.600108.4Q50 A80 L81Q48-Q50 PolarHBondContact O-N 3.23Å; Q48-A80 PolarHBondContact N-O 3.44Å; Q48-L81 HydrophobicContact CB-CD2 4.26Å; Q48-L81 WeakPolarHBondContact O-CD2 3.16Å
49T56.5Low65Low82 Ų8284 Ų8450%0.50341%0.41SS..  trans-76.8125.7178.742.90000111Q58T49-Q58 VanDerWaalsContact OG1-CD 3.3Å; T49-Q58 PolarHBondContact OG1-NE2 2.87Å; T49-Q58 PolarHBondContact OG1-OE1 3.43Å
50Q42.3Very low64.4Low160 Ų16086.2 Ų86.275%0.74842%0.424SS*.  trans-96.976.4168.7-82.3-167-23.100111.3Q48 L81Q48-Q50 PolarHBondContact O-N 3.23Å; Q50-L81 HydrophobicContact CG-CD2 4.48Å
51W37.7Very low63.6Low238 Ų23886 Ų8690%0.90242%0.422SS*.  trans-140.7116.5169.9-82.570000111.9
52S35.3Very low62.4Low105 Ų10585.6 Ų85.673%0.73442%0.42SS*.  trans42.4141.5165.872.60000121.4R54S52-R54 VanDerWaalsContact C-N 3.35Å; S52-R54 PolarHBondContact O-N 3.42Å
53E38.5Very low61.2Low191 Ų19187.5 Ų87.589%0.89344%0.436SS*.SBendtrans-4285.3165.7-62.4175167.200113.4
54R47Very low59.9Low225 Ų22588.2 Ų88.285%0.84944%0.442SS*.  trans158.396.1156.8-90.5163.9-161.5-132.25.3107.7S52S52-R54 VanDerWaalsContact C-N 3.35Å; S52-R54 PolarHBondContact O-N 3.42Å
55N49.4Very low58.8Low107 Ų10788.5 Ų88.557%0.57244%0.444SS*.  trans-171.682.3148-95.2-10.4000109.4E57N55-E57 PolarHBondContact O-N 3.11Å
56D53.8Low57.8Low142 Ų14296.6 Ų96.676%0.75947%0.474SS*.Hα-helixtrans-55.6-21175.2-66.3-28.8000112.7S60D56-S60 WeakPolarHBondContact O-CB 3.26Å; D56-S60 PolarHBondContact O-N 3.38Å
57E53.4Low56.8Low97 Ų97101.1 Ų101.145%0.45350%0.498SS..Hα-helixtrans-72.5-39-174.7-63.9-175.2166.300114.3V14 N55 S60 L61V14-E57 HydrophobicContact CG1-CB 4.4Å; N55-E57 PolarHBondContact O-N 3.11Å; E57-S60 WeakPolarHBondContact O-CB 3.36Å; E57-S60 PolarHBondContact O-N 3.42Å; E57-L61 PolarHBondContact O-N 3.36Å
58Q53.9Low56.1Low30 Ų30100.9 Ų100.914%0.1449%0.493CS..Hα-helixtrans-79.8-32.9-178.9-167.4163.7-9.300111.8C47 T49 S60 L61 L62C47-Q58 PolarHBondContact O-NE2 2.91Å; C47-Q58 VanDerWaalsContact O-NE2 3.08Å; T49-Q58 VanDerWaalsContact OG1-CD 3.3Å; T49-Q58 PolarHBondContact OG1-NE2 2.87Å; T49-Q58 PolarHBondContact OG1-OE1 3.43Å; Q58-S60 VanDerWaalsContact C-N 3.28Å; Q58-L61 PolarHBondContact O-N 3.01Å; Q58-L62 VanDerWaalsContact O-CG 3.31Å; Q58-L62 WeakPolarHBondContact O-CG 3.31Å; Q58-L62 PolarHBondContact O-N 3.23Å
59E59Low56.1Low145 Ų14599.3 Ų99.368%0.67849%0.485SS*.Hα-helixtrans-65.2-36.8168.6-163.1168.8-166.600110.6L62 A63E59-L62 PolarHBondContact O-N 3.04Å; E59-A63 VanDerWaalsContact O-CB 3.23Å; E59-A63 WeakPolarHBondContact O-CB 3.42Å; E59-A63 PolarHBondContact O-N 3.13Å
60S59.7Low56.3Low68 Ų68100 Ų10048%0.47649%0.494SS..Hα-helixtrans-62.9-43.3171.1-175.20000112.9D56 E57 Q58 A63 A64D56-S60 WeakPolarHBondContact O-CB 3.26Å; D56-S60 PolarHBondContact O-N 3.38Å; E57-S60 WeakPolarHBondContact O-CB 3.36Å; E57-S60 PolarHBondContact O-N 3.42Å; Q58-S60 VanDerWaalsContact C-N 3.28Å; S60-A63 PolarHBondContact O-N 3.28Å; S60-A64 VanDerWaalsContact O-CB 3.25Å; S60-A64 WeakPolarHBondContact O-CB 3.37Å; S60-A64 PolarHBondContact O-N 3.33Å
61L62.4Low57.1Low20 Ų2099 Ų9911%0.10549%0.493CS..Hα-helixtrans-62.6-46174.5-172.580.8000111.8Q17 I20 E57 Q58 A63 A64 L65Q17-L61 HydrophobicContact CB-CD1 3.77Å; Q17-L61 HydrophobicContact CB-CD2 4.14Å; Q17-L61 HydrophobicContact CB-CG 4.36Å; Q17-L61 HydrophobicContact CG-CD1 4.48Å; Q17-L61 HydrophobicContact CG-CD2 3.96Å; Q17-L61 VanDerWaalsContact O-CD1 3.25Å; Q17-L61 WeakPolarHBondContact O-CD1 3.48Å; I20-L61 HydrophobicContact CB-CD1 4.49Å; E57-L61 PolarHBondContact O-N 3.36Å; Q58-L61 PolarHBondContact O-N 3.01Å; L61-A63 VanDerWaalsContact C-N 3.34Å; L61-A64 PolarHBondContact O-N 2.88Å; L61-L65 HydrophobicContact CD2-CD1 4.18Å; L61-L65 HydrophobicContact CG-CD1 4.04Å; L61-L65 HydrophobicContact CG-CG 4.41Å; L61-L65 WeakPolarHBondContact O-CB 3.25Å; L61-L65 VanDerWaalsContact O-CG 3.26Å; L61-L65 WeakPolarHBondContact O-CG 3.05Å; L61-L65 PolarHBondContact O-N 2.97Å
62L64.6Low58.5Low33 Ų3389.7 Ų89.717%0.17346%0.458CS..Hα-helixtrans-64.2-40.6178.8-72172.4000111.7Q58 E59 R66 C79Q58-L62 VanDerWaalsContact O-CG 3.31Å; Q58-L62 WeakPolarHBondContact O-CG 3.31Å; Q58-L62 PolarHBondContact O-N 3.23Å; E59-L62 PolarHBondContact O-N 3.04Å; L62-R66 WeakPolarHBondContact O-CB 3.24Å; L62-R66 VanDerWaalsContact O-CG 3.22Å; L62-R66 WeakPolarHBondContact O-CG 3.31Å; L62-R66 PolarHBondContact O-N 3.34Å; L62-C79 HydrophobicContact CD2-CB 4.25Å; L62-C79 WeakPolarHBondContact CD2-SG 3.23Å
63A64.8Low60Low46 Ų4695 Ų9538%0.3847%0.468SS..Hα-helixtrans-62-47.8172.900000110.8E59 S60 L61 L65 R66 D67E59-A63 VanDerWaalsContact O-CB 3.23Å; E59-A63 WeakPolarHBondContact O-CB 3.42Å; E59-A63 PolarHBondContact O-N 3.13Å; S60-A63 PolarHBondContact O-N 3.28Å; L61-A63 VanDerWaalsContact C-N 3.34Å; A63-L65 PolarHBondContact O-N 2.88Å; A63-R66 PolarHBondContact O-N 2.94Å; A63-D67 WeakPolarHBondContact O-CB 3.3Å; A63-D67 VanDerWaalsContact O-CG 3.28Å; A63-D67 PolarHBondContact O-N 3.2Å
64A65.3Low61.9Low18 Ų1891.3 Ų91.315%0.14945%0.446CS..Hα-helixtrans-59.8-43.2177.300000112.6S60 L61 D67 F68S60-A64 VanDerWaalsContact O-CB 3.25Å; S60-A64 WeakPolarHBondContact O-CB 3.37Å; S60-A64 PolarHBondContact O-N 3.33Å; L61-A64 PolarHBondContact O-N 2.88Å; A64-D67 PolarHBondContact O-N 2.83Å; A64-F68 VanDerWaalsContact O-CB 3.3Å; A64-F68 WeakPolarHBondContact O-CB 3.42Å; A64-F68 PolarHBondContact O-N 3.4Å
65L66.9Low63.7Low7 Ų781 Ų814%0.03741%0.408CS..Hα-helixtrans-65.6-39.1176.9-75.2172.9000112L24 V44 L61 A63 F68 Q69 V77L24-L65 HydrophobicContact CD1-CD2 3.35Å; V44-L65 HydrophobicContact CG1-CD2 4.5Å; L61-L65 HydrophobicContact CD2-CD1 4.18Å; L61-L65 HydrophobicContact CG-CD1 4.04Å; L61-L65 HydrophobicContact CG-CG 4.41Å; L61-L65 WeakPolarHBondContact O-CB 3.25Å; L61-L65 VanDerWaalsContact O-CG 3.26Å; L61-L65 WeakPolarHBondContact O-CG 3.05Å; L61-L65 PolarHBondContact O-N 2.97Å; A63-L65 PolarHBondContact O-N 2.88Å; L65-F68 PolarHBondContact O-N 3Å; L65-Q69 WeakPolarHBondContact O-CB 3.41Å; L65-Q69 PolarHBondContact O-N 3.18Å; L65-V77 HydrophobicContact CB-CG1 4.19Å; L65-V77 HydrophobicContact CB-CG2 4.03Å; L65-V77 HydrophobicContact CD1-CG1 4.18Å
66R68.9Low65.5Low169 Ų16978 Ų7864%0.63839%0.391SS*.Hα-helixtrans-69.8-41.5176-75.6173.7176.2177.50.9112.3L62 A63 F68 Q69 S70L62-R66 WeakPolarHBondContact O-CB 3.24Å; L62-R66 VanDerWaalsContact O-CG 3.22Å; L62-R66 WeakPolarHBondContact O-CG 3.31Å; L62-R66 PolarHBondContact O-N 3.34Å; A63-R66 PolarHBondContact O-N 2.94Å; R66-F68 VanDerWaalsContact C-N 3.28Å; R66-F68 PolarHBondContact O-N 2.93Å; R66-Q69 WeakPolarHBondContact O-CB 3.18Å; R66-Q69 PolarHBondContact O-N 3.22Å; R66-S70 PolarHBondContact O-N 3.41Å
67D65.3Low67.1Low103 Ų10372.3 Ų72.355%0.55136%0.361SS*.Hα-helixtrans-60.5-42.6172.8-72.5-14.9000109.9A63 A64 S70 L71A63-D67 WeakPolarHBondContact O-CB 3.3Å; A63-D67 VanDerWaalsContact O-CG 3.28Å; A63-D67 PolarHBondContact O-N 3.2Å; A64-D67 PolarHBondContact O-N 2.83Å; D67-S70 WeakPolarHBondContact O-CB 3.33Å; D67-S70 PolarHBondContact O-N 2.88Å; D67-S70 PolarHBondContact O-OG 3.09Å; D67-L71 WeakPolarHBondContact O-CD1 3.41Å; D67-L71 PolarHBondContact O-N 2.83Å
68F65.3Low68.8Low33 Ų3368.2 Ų68.215%0.14534%0.343CS..Hα-helixtrans-65.6-38.8176.5-149.6-91.8000113.1C25 L28 A64 L65 R66 S70 L71 K72 L75C25-F68 WeakPolarHBondContact SG-CE2 3.33Å; C25-F68 VanDerWaalsContact SG-CZ 3.56Å; L28-F68 HydrophobicContact CD1-CD1 4.11Å; L28-F68 HydrophobicContact CD1-CE1 3.48Å; L28-F68 VanDerWaalsContact CD1-CE1 3.48Å; L28-F68 HydrophobicContact CD1-CZ 4.43Å; A64-F68 VanDerWaalsContact O-CB 3.3Å; A64-F68 WeakPolarHBondContact O-CB 3.42Å; A64-F68 PolarHBondContact O-N 3.4Å; L65-F68 PolarHBondContact O-N 3Å; R66-F68 VanDerWaalsContact C-N 3.28Å; R66-F68 PolarHBondContact O-N 2.93Å; F68-S70 VanDerWaalsContact C-N 3.3Å; F68-S70 PolarHBondContact O-N 2.79Å; F68-L71 WeakPolarHBondContact O-CB 3.33Å; F68-L71 PolarHBondContact O-N 3.29Å; F68-K72 HydrophobicContact CE1-CD 3.95Å; F68-K72 HydrophobicContact CE1-CG 4.24Å; F68-K72 PolarHBondContact O-N 2.76Å; F68-K72 VanDerWaalsContact O-N 3.14Å; F68-L75 HydrophobicContact CD1-CD2 3.65Å; F68-L75 HydrophobicContact CE1-CD2 4.45Å
69Q67.6Low70.4Confident66 Ų6668.6 Ų68.631%0.30835%0.348SS..Hα-helixtrans-61-38.8172.6179.5172.312.300111.8L65 R66 L71 K72 L75 V77L65-Q69 WeakPolarHBondContact O-CB 3.41Å; L65-Q69 PolarHBondContact O-N 3.18Å; R66-Q69 WeakPolarHBondContact O-CB 3.18Å; R66-Q69 PolarHBondContact O-N 3.22Å; Q69-L71 PolarHBondContact O-N 2.99Å; Q69-K72 CarbonylContact O-C 3.55Å; Q69-K72 PolarHBondContact O-N 3.4Å; Q69-L75 WeakPolarHBondContact CG-O 3.5Å; Q69-V77 HydrophobicContact CB-CG2 4.46Å
70S61.7Low71.8Confident98 Ų9862.3 Ų62.369%0.68532%0.321SS*.Hα-helixtrans-63-28.9176.783.20000113R66 D67 F68R66-S70 PolarHBondContact O-N 3.41Å; D67-S70 WeakPolarHBondContact O-CB 3.33Å; D67-S70 PolarHBondContact O-N 2.88Å; D67-S70 PolarHBondContact O-OG 3.09Å; F68-S70 VanDerWaalsContact C-N 3.3Å; F68-S70 PolarHBondContact O-N 2.79Å
71L59.6Low73.2Confident137 Ų13764 Ų6472%0.71732%0.324SS*.Hα-helixtrans-83.4-27.9179.8-73.3154.4000112.7D67 F68 Q69D67-L71 WeakPolarHBondContact O-CD1 3.41Å; D67-L71 PolarHBondContact O-N 2.83Å; F68-L71 WeakPolarHBondContact O-CB 3.33Å; F68-L71 PolarHBondContact O-N 3.29Å; Q69-L71 PolarHBondContact O-N 2.99Å
72K66.7Low74.7Confident43 Ų4365.1 Ų65.119%0.18733%0.332CS..  trans-121.8107.2-176.5-68.8-151.3173.9-149.40113L28 E32 F68 Q69 R74 L75L28-K72 HydrophobicContact CD1-CD 4.47Å; E32-K72 IonicContact OE1-NZ 3.16Å; E32-K72 PolarHBondContact OE1-NZ 3.39Å; E32-K72 IonicContact OE2-NZ 2.62Å; E32-K72 PolarHBondContact OE2-NZ 3.19Å; F68-K72 HydrophobicContact CE1-CD 3.95Å; F68-K72 HydrophobicContact CE1-CG 4.24Å; F68-K72 PolarHBondContact O-N 2.76Å; F68-K72 VanDerWaalsContact O-N 3.14Å; Q69-K72 CarbonylContact O-C 3.55Å; Q69-K72 PolarHBondContact O-N 3.4Å; K72-R74 PolarHBondContact O-N 3.37Å; K72-L75 HydrophobicContact CB-CB 4.23Å; K72-L75 PolarHBondContact O-N 3.44Å
73K67.2Low76.1Confident217 Ų21763.9 Ų63.994%0.94333%0.326SS*.THydrogen-bonded Turntrans-58.4-11.2-179.4-69.1-175177.91800116.5
74R76.7Confident77.6Confident113 Ų11361.7 Ų61.743%0.42631%0.308SS..THydrogen-bonded Turntrans-113.56-175.6-68.3-168.5-179.8-154.9-2.7114S38 A39 L41 V42 K72S38-R74 PolarHBondContact OG-NH1 2.83Å; S38-R74 PolarHBondContact OG-NH2 2.86Å; A39-R74 VanDerWaalsContact N-NH1 3.12Å; A39-R74 PolarHBondContact O-NH1 3.43Å; L41-R74 HydrophobicContact CD2-CB 3.94Å; L41-R74 HydrophobicContact CD2-CG 4.03Å; V42-R74 PolarHBondContact N-O 3.31Å; K72-R74 PolarHBondContact O-N 3.37Å
75L84.7Confident79Confident9 Ų961.5 Ų61.55%0.04731%0.306CS..EExtended strand (participates in β ladder)trans-103136.2176.1-176.969.9000109.8L28 V42 V44 F68 Q69 K72L28-L75 HydrophobicContact CD1-CD1 4.19Å; L28-L75 HydrophobicContact CD1-CD2 4.2Å; V42-L75 HydrophobicContact CB-CD1 3.81Å; V42-L75 HydrophobicContact CG1-CD1 3.62Å; V42-L75 CarbonylContact O-C 3.53Å; V42-L75 WeakPolarHBondContact O-CA 3.36Å; V44-L75 HydrophobicContact CG2-CD1 3.69Å; F68-L75 HydrophobicContact CD1-CD2 3.65Å; F68-L75 HydrophobicContact CE1-CD2 4.45Å; Q69-L75 WeakPolarHBondContact CG-O 3.5Å; K72-L75 HydrophobicContact CB-CB 4.23Å; K72-L75 PolarHBondContact O-N 3.44Å
76E88.2Confident80.4Confident44 Ų4461.2 Ų61.221%0.20630%0.304CS..EExtended strand (participates in β ladder)trans-130.9128171-171.1172.7167.600109.9V42 Y43 V44 V78 R93V42-E76 PolarHBondContact O-N 3.04Å; Y43-E76 CarbonylContact C-O 3.48Å; Y43-E76 VanDerWaalsContact CA-O 3.31Å; Y43-E76 WeakPolarHBondContact CA-O 3.41Å; Y43-E76 HydrophobicContact CD1-CB 3.92Å; Y43-E76 HydrophobicContact CD1-CG 4.41Å; Y43-E76 HydrophobicContact CE1-CB 4.01Å; Y43-E76 HydrophobicContact CE1-CG 4.41Å; Y43-E76 WeakPolarHBondContact CE1-OE2 3.31Å; V44-E76 PolarHBondContact N-O 2.83Å; E76-V78 HydrophobicContact CG-CG2 4.4Å; E76-R93 IonicContact OE1-CZ 3.49Å; E76-R93 IonicContact OE1-NE 2.74Å; E76-R93 PolarHBondContact OE1-NE 2.97Å; E76-R93 IonicContact OE2-NE 3.59Å
77V86.6Confident81.8Confident23 Ų2353.2 Ų53.214%0.13927%0.274CS..EExtended strand (participates in β ladder)trans-101.9119.7179.1-178.30000108.4V44 C46 L65 Q69V44-V77 HydrophobicContact CB-CG2 4.44Å; V44-V77 CarbonylContact O-C 3.59Å; V44-V77 WeakPolarHBondContact O-CA 3.41Å; C46-V77 VanDerWaalsContact SG-CG1 3.56Å; L65-V77 HydrophobicContact CB-CG1 4.19Å; L65-V77 HydrophobicContact CB-CG2 4.03Å; L65-V77 HydrophobicContact CD1-CG1 4.18Å; Q69-V77 HydrophobicContact CB-CG2 4.46Å
78V89.9Confident83.3Confident11 Ų1148.6 Ų48.67%0.06725%0.249CC..EExtended strand (participates in β ladder)trans-111.5101.5-179.5-178.10000108.5V44 M45 C46 E76 A86 T89 I90V44-V78 PolarHBondContact O-N 3.11Å; M45-V78 VanDerWaalsContact CA-O 3.3Å; M45-V78 WeakPolarHBondContact CA-O 3.4Å; C46-V78 PolarHBondContact N-O 3.2Å; C46-V78 VanDerWaalsContact N-O 3.12Å; C46-V78 PolarHBondContact SG-O 2.79Å; C46-V78 VanDerWaalsContact SG-O 3.39Å; E76-V78 HydrophobicContact CG-CG2 4.4Å; V78-A86 HydrophobicContact CG1-CB 4.24Å; V78-T89 HydrophobicContact CG1-CG2 3.88Å; V78-I90 HydrophobicContact CB-CD1 4.29Å; V78-I90 HydrophobicContact CB-CG1 4.08Å; V78-I90 HydrophobicContact CG1-CG1 4.24Å; V78-I90 HydrophobicContact CG2-CD1 4.44Å; V78-I90 HydrophobicContact CG2-CG1 3.78Å
79C87.4Confident84.8Confident38 Ų3849.1 Ų49.126%0.25726%0.255SS..EExtended strand (participates in β ladder)trans-102.4132.1173.2-56.20000111.2C46 L62C46-C79 HydrophobicContact CB-CB 4.21Å; C46-C79 WeakPolarHBondContact CB-SG 3.31Å; C46-C79 VanDerWaalsContact O-CA 3.26Å; C46-C79 WeakPolarHBondContact O-CA 3.1Å; C46-C79 WeakPolarHBondContact SG-CA 3.49Å; C46-C79 WeakPolarHBondContact SG-CB 3.34Å; C46-C79 CovalentContact SG-SG 2.07Å; C46-C79 PolarHBondContact SG-SG 2.82Å; L62-C79 HydrophobicContact CD2-CB 4.25Å; L62-C79 WeakPolarHBondContact CD2-SG 3.23Å
80A89.1Confident86.2Confident12 Ų1246 Ų4610%0.09924%0.241CC..EExtended strand (participates in β ladder)trans-145.2163.9-18000000110.8C46 C47 Q48 T82 A85 A86C46-A80 PolarHBondContact O-N 2.92Å; C46-A80 VanDerWaalsContact O-N 3.09Å; C47-A80 CarbonylContact C-O 3.59Å; C47-A80 WeakPolarHBondContact CA-O 3.18Å; Q48-A80 PolarHBondContact N-O 3.44Å; A80-T82 PolarHBondContact O-N 3.09Å; A80-A85 HydrophobicContact CB-CB 3.78Å; A80-A86 HydrophobicContact CB-CB 3.93Å
81L88.4Confident87.9Confident103 Ų10341.4 Ų41.454%0.53921%0.208SC..SBendtrans-67.2-27.1178.1-61.7-178.9000112.6Q48 Q50Q48-L81 HydrophobicContact CB-CD2 4.26Å; Q48-L81 WeakPolarHBondContact O-CD2 3.16Å; Q50-L81 HydrophobicContact CG-CD2 4.48Å
82T92.9Very high89.6Confident44 Ų4437.5 Ų37.527%0.2719%0.186SC..SBendtrans-137.2158.1-171.474.70000111.1F10 A80 A84 A85 A86 E165F10-T82 WeakPolarHBondContact CZ-O 3.25Å; A80-T82 PolarHBondContact O-N 3.09Å; T82-A84 VanDerWaalsContact C-N 3.35Å; T82-A85 PolarHBondContact O-N 3.05Å; T82-A85 WeakPolarHBondContact OG1-CB 3.44Å; T82-A85 PolarHBondContact OG1-N 3.49Å; T82-A86 PolarHBondContact O-N 3.31Å; T82-E165 WeakPolarHBondContact CB-OE1 3.21Å; T82-E165 HydrophobicContact CG2-CG 4.3Å
83T94.6Very high91Very high8 Ų839.6 Ų39.65%0.04919%0.193CC..Hα-helixtrans-66.4-40.6177.6-60.90000110M45 A85 A86 L87 R110 Y117 E165M45-T83 HydrophobicContact CE-CG2 3.82Å; T83-A85 PolarHBondContact O-N 2.88Å; T83-A86 PolarHBondContact O-N 2.96Å; T83-L87 HydrophobicContact CG2-CD1 3.8Å; T83-L87 HydrophobicContact CG2-CG 4.29Å; T83-L87 WeakPolarHBondContact O-CB 3.39Å; T83-L87 WeakPolarHBondContact O-CG 3.45Å; T83-L87 PolarHBondContact O-N 3.32Å; T83-R110 PolarHBondContact OG1-NH2 3.11Å; T83-R110 VanDerWaalsContact OG1-NH2 3.13Å; T83-Y117 HydrophobicContact CG2-CD1 4.34Å; T83-Y117 HydrophobicContact CG2-CD2 3.72Å; T83-Y117 HydrophobicContact CG2-CE1 4.12Å; T83-Y117 HydrophobicContact CG2-CE2 3.47Å; T83-Y117 VanDerWaalsContact CG2-CE2 3.47Å; T83-Y117 HydrophobicContact CG2-CG 4.17Å; T83-E165 WeakPolarHBondContact CA-OE1 3.43Å; T83-E165 PolarHBondContact N-OE1 2.73Å
84A96.1Very high92.4Very high0 Ų029.3 Ų29.30%015%0.149CC..Hα-helixtrans-55.9-48175.500000112T82 L87 Y88 Y117 E165 I166 H169T82-A84 VanDerWaalsContact C-N 3.35Å; A84-L87 PolarHBondContact O-N 3.44Å; A84-Y88 VanDerWaalsContact O-CB 3.26Å; A84-Y88 WeakPolarHBondContact O-CB 3.35Å; A84-Y88 PolarHBondContact O-N 3.32Å; A84-Y117 HydrophobicContact CB-CD1 4.44Å; A84-Y117 HydrophobicContact CB-CE1 3.9Å; A84-E165 HydrophobicContact CB-CG 3.93Å; A84-E165 PolarHBondContact N-OE1 2.79Å; A84-I166 HydrophobicContact CB-CG1 4.01Å; A84-H169 HydrophobicContact CB-CB 4.12Å
85A96.1Very high93.3Very high14 Ų1425 Ų2512%0.11613%0.134CC..Hα-helixtrans-64.7-45.4-17900000111.8A80 T82 T83 Y88 T89A80-A85 HydrophobicContact CB-CB 3.78Å; T82-A85 PolarHBondContact O-N 3.05Å; T82-A85 WeakPolarHBondContact OG1-CB 3.44Å; T82-A85 PolarHBondContact OG1-N 3.49Å; T83-A85 PolarHBondContact O-N 2.88Å; A85-Y88 PolarHBondContact O-N 2.77Å; A85-T89 PolarHBondContact O-N 3.05Å; A85-T89 PolarHBondContact O-OG1 3.17Å
86A96.1Very high93.8Very high0 Ų030.8 Ų30.80%016%0.161CC..Hα-helixtrans-61.9-46.717700000111.9F10 M45 V78 A80 T82 T83 T89 I90F10-A86 HydrophobicContact CE2-CB 3.94Å; F10-A86 HydrophobicContact CZ-CB 4.09Å; M45-A86 HydrophobicContact CB-CB 4.14Å; M45-A86 HydrophobicContact CE-CB 3.84Å; V78-A86 HydrophobicContact CG1-CB 4.24Å; A80-A86 HydrophobicContact CB-CB 3.93Å; T82-A86 PolarHBondContact O-N 3.31Å; T83-A86 PolarHBondContact O-N 2.96Å; A86-T89 PolarHBondContact O-N 2.97Å; A86-I90 WeakPolarHBondContact O-CD1 3.33Å; A86-I90 VanDerWaalsContact O-CG1 3.29Å; A86-I90 WeakPolarHBondContact O-CG1 3.25Å; A86-I90 PolarHBondContact O-N 3.46Å
87L97.1Very high94.1Very high1 Ų133.6 Ų33.61%0.00517%0.172CC..Hα-helixtrans-65.6-38.7179.1-75.5175.2000112.5L6 M45 T83 A84 I90 K91 M114 Y117 L121L6-L87 HydrophobicContact CD2-CD2 3.68Å; M45-L87 HydrophobicContact CE-CD2 4.36Å; M45-L87 HydrophobicContact CE-CG 4.11Å; M45-L87 HydrophobicContact SD-CD2 3.85Å; M45-L87 HydrophobicContact SD-CG 4.26Å; T83-L87 HydrophobicContact CG2-CD1 3.8Å; T83-L87 HydrophobicContact CG2-CG 4.29Å; T83-L87 WeakPolarHBondContact O-CB 3.39Å; T83-L87 WeakPolarHBondContact O-CG 3.45Å; T83-L87 PolarHBondContact O-N 3.32Å; A84-L87 PolarHBondContact O-N 3.44Å; L87-I90 PolarHBondContact O-N 3Å; L87-K91 WeakPolarHBondContact O-CB 3.45Å; L87-K91 PolarHBondContact O-N 2.92Å; L87-M114 HydrophobicContact CD1-CE 4.22Å; L87-M114 HydrophobicContact CD1-SD 3.69Å; L87-M114 HydrophobicContact CD2-CE 4.23Å; L87-M114 HydrophobicContact CD2-SD 3.98Å; L87-M114 HydrophobicContact CG-SD 4.45Å; L87-Y117 VanDerWaalsContact CD1-CB 3.41Å; L87-Y117 HydrophobicContact CD1-CD1 4.04Å; L87-Y117 HydrophobicContact CD1-CD2 4.26Å; L87-Y117 HydrophobicContact CD1-CG 3.66Å; L87-L121 HydrophobicContact CB-CD1 3.94Å
88Y97.1Very high94.5Very high6 Ų637.9 Ų37.92%0.02419%0.194CC..Hα-helixtrans-61.9-47.6175.8-170.1-93.8000111A84 A85 I90 K91 E92 L121 H169 L170 L173 I204 Y206 V227A84-Y88 VanDerWaalsContact O-CB 3.26Å; A84-Y88 WeakPolarHBondContact O-CB 3.35Å; A84-Y88 PolarHBondContact O-N 3.32Å; A85-Y88 PolarHBondContact O-N 2.77Å; Y88-I90 PolarHBondContact O-N 3.22Å; Y88-K91 WeakPolarHBondContact O-CB 3.33Å; Y88-K91 PolarHBondContact O-N 2.78Å; Y88-E92 HydrophobicContact CD1-CG 4.38Å; Y88-E92 HydrophobicContact CE1-CG 4.18Å; Y88-E92 PolarHBondContact O-N 3.4Å; Y88-L121 HydrophobicContact CD2-CD2 4.31Å; Y88-H169 AromaticContact CD1-NE2 3.75Å; Y88-H169 AromaticContact CG-NE2 3.72Å; Y88-L170 HydrophobicContact CD2-CD2 3.82Å; Y88-L170 HydrophobicContact CE2-CD2 3.57Å; Y88-L173 HydrophobicContact CD1-CD1 4.37Å; Y88-L173 HydrophobicContact CE1-CD1 3.67Å; Y88-L173 HydrophobicContact CE2-CD1 4.29Å; Y88-I204 PolarHBondContact OH-O 2.89Å; Y88-Y206 HydrophobicContact CE1-CD1 4.29Å; Y88-Y206 HydrophobicContact CE1-CE1 4.25Å; Y88-Y206 HydrophobicContact CE2-CE1 4.14Å; Y88-Y206 AromaticContact CZ-CD1 3.85Å; Y88-Y206 AromaticContact CZ-CE1 3.76Å; Y88-Y206 WeakPolarHBondContact OH-CD1 3.33Å; Y88-V227 HydrophobicContact CE2-CG2 3.86Å
89T96.5Very high94.7Very high44 Ų4438.4 Ų38.427%0.2720%0.197SC..Hα-helixtrans-60.9-43.6174.6-62.50000112.2V78 A85 A86 K91 E92 R93V78-T89 HydrophobicContact CG1-CG2 3.88Å; A85-T89 PolarHBondContact O-N 3.05Å; A85-T89 PolarHBondContact O-OG1 3.17Å; A86-T89 PolarHBondContact O-N 2.97Å; T89-K91 VanDerWaalsContact C-N 3.3Å; T89-K91 PolarHBondContact O-N 3.48Å; T89-E92 WeakPolarHBondContact O-CB 3.43Å; T89-E92 PolarHBondContact O-N 2.8Å; T89-R93 WeakPolarHBondContact O-CG 3.3Å; T89-R93 PolarHBondContact O-N 2.9Å; T89-R93 VanDerWaalsContact O-N 3.09Å
90I96.8Very high95.1Very high2 Ų237.9 Ų37.91%0.0119%0.194CC..Hα-helixtrans-61.2-42.8176.1-72159.9000110.4L6 Y43 M45 V78 A86 L87 Y88 E92 R93 L94L6-I90 HydrophobicContact CD1-CD1 3.37Å; L6-I90 HydrophobicContact CD1-CG1 4.47Å; Y43-I90 HydrophobicContact CD1-CG1 4.37Å; Y43-I90 HydrophobicContact CD1-CG2 4.47Å; Y43-I90 HydrophobicContact CG-CG2 4.2Å; M45-I90 HydrophobicContact CB-CD1 3.83Å; M45-I90 HydrophobicContact CG-CD1 4.43Å; M45-I90 HydrophobicContact SD-CD1 4.22Å; V78-I90 HydrophobicContact CB-CD1 4.29Å; V78-I90 HydrophobicContact CB-CG1 4.08Å; V78-I90 HydrophobicContact CG1-CG1 4.24Å; V78-I90 HydrophobicContact CG2-CD1 4.44Å; V78-I90 HydrophobicContact CG2-CG1 3.78Å; A86-I90 WeakPolarHBondContact O-CD1 3.33Å; A86-I90 VanDerWaalsContact O-CG1 3.29Å; A86-I90 WeakPolarHBondContact O-CG1 3.25Å; A86-I90 PolarHBondContact O-N 3.46Å; L87-I90 PolarHBondContact O-N 3Å; Y88-I90 PolarHBondContact O-N 3.22Å; I90-E92 VanDerWaalsContact C-N 3.32Å; I90-E92 PolarHBondContact O-N 2.94Å; I90-R93 WeakPolarHBondContact O-CB 3.3Å; I90-R93 PolarHBondContact O-N 3.23Å; I90-R93 VanDerWaalsContact O-N 3.11Å; I90-L94 HydrophobicContact CG2-CD1 3.97Å; I90-L94 HydrophobicContact CG2-CG 4.17Å; I90-L94 VanDerWaalsContact O-CG 3.3Å; I90-L94 WeakPolarHBondContact O-CG 3.36Å; I90-L94 PolarHBondContact O-N 2.91Å
91K97.4Very high95.5Very high0 Ų038.2 Ų38.20%019%0.194CC..Hα-helixtrans-59.3-42.9176.4-171.4-167.7-179.9-61.10111.8L87 Y88 T89 R93 L94 D95 L121 F122 Y126 Y206 R222L87-K91 WeakPolarHBondContact O-CB 3.45Å; L87-K91 PolarHBondContact O-N 2.92Å; Y88-K91 WeakPolarHBondContact O-CB 3.33Å; Y88-K91 PolarHBondContact O-N 2.78Å; T89-K91 VanDerWaalsContact C-N 3.3Å; T89-K91 PolarHBondContact O-N 3.48Å; K91-R93 VanDerWaalsContact C-N 3.3Å; K91-R93 PolarHBondContact O-N 3.31Å; K91-L94 PolarHBondContact O-N 2.87Å; K91-D95 IonicContact NZ-OD2 3.55Å; K91-D95 PolarHBondContact NZ-OD2 3.5Å; K91-D95 WeakPolarHBondContact O-CB 3.42Å; K91-D95 PolarHBondContact O-N 3.19Å; K91-L121 WeakPolarHBondContact CD-O 3.31Å; K91-L121 WeakPolarHBondContact CE-O 3.35Å; K91-F122 HydrophobicContact CB-CE1 3.83Å; K91-F122 HydrophobicContact CB-CZ 3.78Å; K91-F122 HydrophobicContact CD-CD1 4.25Å; K91-F122 HydrophobicContact CD-CE1 4.22Å; K91-F122 HydrophobicContact CD-CZ 4.48Å; K91-F122 HydrophobicContact CG-CD1 4Å; K91-F122 HydrophobicContact CG-CE1 3.59Å; K91-F122 HydrophobicContact CG-CZ 4.01Å; K91-Y126 WeakPolarHBondContact CE-OH 3.24Å; K91-Y126 PolarHBondContact NZ-OH 3.36Å; K91-Y206 WeakPolarHBondContact CD-OH 3.46Å; K91-Y206 WeakPolarHBondContact CG-OH 3.42Å; K91-Y206 PolarHBondContact NZ-OH 2.9Å; K91-R222 WeakPolarHBondContact CE-O 3.47Å; K91-R222 PolarHBondContact NZ-O 2.86Å
92E96.7Very high96Very high56 Ų5633.4 Ų33.426%0.26217%0.169SC..Hα-helixtrans-55.8-46.5173.5-70.6178.1129.600110.9Y88 T89 I90 L94 D95 E96 Y206Y88-E92 HydrophobicContact CD1-CG 4.38Å; Y88-E92 HydrophobicContact CE1-CG 4.18Å; Y88-E92 PolarHBondContact O-N 3.4Å; T89-E92 WeakPolarHBondContact O-CB 3.43Å; T89-E92 PolarHBondContact O-N 2.8Å; I90-E92 VanDerWaalsContact C-N 3.32Å; I90-E92 PolarHBondContact O-N 2.94Å; E92-L94 PolarHBondContact O-N 2.77Å; E92-D95 PolarHBondContact O-N 3.44Å; E92-E96 VanDerWaalsContact O-CG 3.32Å; E92-E96 WeakPolarHBondContact O-CG 3.37Å; E92-E96 PolarHBondContact O-N 3.37Å; E92-Y206 HydrophobicContact CB-CE2 4.23Å; E92-Y206 HydrophobicContact CG-CD1 3.81Å; E92-Y206 HydrophobicContact CG-CD2 4.04Å; E92-Y206 HydrophobicContact CG-CE1 3.53Å; E92-Y206 HydrophobicContact CG-CE2 3.8Å; E92-Y206 HydrophobicContact CG-CG 4.05Å
93R95.8Very high96.1Very high86 Ų8634 Ų3433%0.32517%0.168SC..Hα-helixtrans-63.7-39.4177.2-62.3-59-173.4-140-10.9113.6Y43 E76 T89 I90 K91 D95 E96 K97Y43-R93 HydrophobicContact CE1-CB 3.61Å; Y43-R93 HydrophobicContact CE1-CG 4.06Å; E76-R93 IonicContact OE1-CZ 3.49Å; E76-R93 IonicContact OE1-NE 2.74Å; E76-R93 PolarHBondContact OE1-NE 2.97Å; E76-R93 IonicContact OE2-NE 3.59Å; T89-R93 WeakPolarHBondContact O-CG 3.3Å; T89-R93 PolarHBondContact O-N 2.9Å; T89-R93 VanDerWaalsContact O-N 3.09Å; I90-R93 WeakPolarHBondContact O-CB 3.3Å; I90-R93 PolarHBondContact O-N 3.23Å; I90-R93 VanDerWaalsContact O-N 3.11Å; K91-R93 VanDerWaalsContact C-N 3.3Å; K91-R93 PolarHBondContact O-N 3.31Å; R93-D95 VanDerWaalsContact C-N 3.34Å; R93-E96 WeakPolarHBondContact CD-OE2 3.22Å; R93-E96 IonicContact NH1-OE1 3.37Å; R93-E96 PolarHBondContact NH1-OE1 3.2Å; R93-E96 IonicContact NH1-OE2 3.23Å; R93-E96 PolarHBondContact NH1-OE2 2.91Å; R93-K97 WeakPolarHBondContact O-CG 3.46Å; R93-K97 PolarHBondContact O-N 3.12Å
94L96.3Very high96.2Very high2 Ų233.7 Ų33.71%0.0117%0.166CC..Hα-helixtrans-63.9-43.1175.8-67.3172.4000110.3A4 Y43 I90 K91 E92 K97 D98 L99 I102 F122A4-L94 HydrophobicContact CB-CD2 3.6Å; Y43-L94 HydrophobicContact CD2-CD2 4.32Å; Y43-L94 HydrophobicContact CE2-CD2 3.76Å; I90-L94 HydrophobicContact CG2-CD1 3.97Å; I90-L94 HydrophobicContact CG2-CG 4.17Å; I90-L94 VanDerWaalsContact O-CG 3.3Å; I90-L94 WeakPolarHBondContact O-CG 3.36Å; I90-L94 PolarHBondContact O-N 2.91Å; K91-L94 PolarHBondContact O-N 2.87Å; E92-L94 PolarHBondContact O-N 2.77Å; L94-K97 CarbonylContact O-C 3.54Å; L94-K97 PolarHBondContact O-N 3.27Å; L94-D98 PolarHBondContact O-N 3.01Å; L94-L99 HydrophobicContact CB-CB 4.39Å; L94-L99 HydrophobicContact CD2-CB 3.97Å; L94-L99 HydrophobicContact CD2-CD1 4.02Å; L94-L99 PolarHBondContact O-N 3.12Å; L94-I102 HydrophobicContact CD1-CD1 4.1Å; L94-I102 HydrophobicContact CD1-CG1 3.9Å; L94-I102 HydrophobicContact CD2-CG1 4.2Å; L94-F122 HydrophobicContact CD1-CE1 4.09Å
95D95.9Very high96.1Very high22 Ų2233.8 Ų33.812%0.11817%0.166CC..Hα-helixtrans-70.2-38.8-179.6-72.1-25000113.4K91 E92 R93 K97 D98 Y126 Y206 R222K91-D95 IonicContact NZ-OD2 3.55Å; K91-D95 PolarHBondContact NZ-OD2 3.5Å; K91-D95 WeakPolarHBondContact O-CB 3.42Å; K91-D95 PolarHBondContact O-N 3.19Å; E92-D95 PolarHBondContact O-N 3.44Å; R93-D95 VanDerWaalsContact C-N 3.34Å; D95-K97 PolarHBondContact O-N 2.8Å; D95-K97 VanDerWaalsContact O-N 3.15Å; D95-D98 PolarHBondContact O-N 2.63Å; D95-D98 VanDerWaalsContact O-N 3.13Å; D95-Y126 PolarHBondContact OD1-OH 3.39Å; D95-Y126 PolarHBondContact OD2-OH 3.41Å; D95-Y206 HydrophobicContact CB-CE2 3.98Å; D95-Y206 WeakPolarHBondContact OD2-CE2 3.3Å; D95-Y206 PolarHBondContact OD2-OH 3.47Å; D95-R222 WeakPolarHBondContact OD1-CD 3.34Å; D95-R222 IonicContact OD1-CZ 3.52Å; D95-R222 IonicContact OD1-NE 3.23Å; D95-R222 IonicContact OD1-NH1 2.79Å; D95-R222 PolarHBondContact OD1-NH1 3.36Å
96E94.9Very high95.8Very high131 Ų13133.1 Ų33.161%0.61216%0.161SC*.Hα-helixtrans-56.5-27.4172.5-77.5174.8168.300112.4E92 R93E92-E96 VanDerWaalsContact O-CG 3.32Å; E92-E96 WeakPolarHBondContact O-CG 3.37Å; E92-E96 PolarHBondContact O-N 3.37Å; R93-E96 WeakPolarHBondContact CD-OE2 3.22Å; R93-E96 IonicContact NH1-OE1 3.37Å; R93-E96 PolarHBondContact NH1-OE1 3.2Å; R93-E96 IonicContact NH1-OE2 3.23Å; R93-E96 PolarHBondContact NH1-OE2 2.91Å
97K93.8Very high95.4Very high103 Ų10333.3 Ų33.345%0.44816%0.162SC..THydrogen-bonded Turntrans-107.75.1-177.9-61.4-179.6-169.2-65.20113.5L41 R93 L94 D95 L99L41-K97 HydrophobicContact CD1-CD 3.31Å; R93-K97 WeakPolarHBondContact O-CG 3.46Å; R93-K97 PolarHBondContact O-N 3.12Å; L94-K97 CarbonylContact O-C 3.54Å; L94-K97 PolarHBondContact O-N 3.27Å; D95-K97 PolarHBondContact O-N 2.8Å; D95-K97 VanDerWaalsContact O-N 3.15Å; K97-L99 VanDerWaalsContact C-N 3.28Å; K97-L99 HydrophobicContact CB-CD1 3.98Å; K97-L99 HydrophobicContact CB-CD2 4.38Å; K97-L99 HydrophobicContact CB-CG 3.78Å; K97-L99 HydrophobicContact CD-CD1 4.34Å; K97-L99 WeakPolarHBondContact O-CD2 3.33Å; K97-L99 PolarHBondContact O-N 2.07Å
98D94.6Very high95Very high112 Ų11236.2 Ų36.260%0.59919%0.187SC*.THydrogen-bonded Turntrans54.336.7-176.8-162.631.8000114.6L94 D95 R222L94-D98 PolarHBondContact O-N 3.01Å; D95-D98 PolarHBondContact O-N 2.63Å; D95-D98 VanDerWaalsContact O-N 3.13Å; D98-R222 PolarHBondContact O-NH2 2.87Å; D98-R222 IonicContact OD1-CZ 3.31Å; D98-R222 IonicContact OD1-NE 2.73Å; D98-R222 PolarHBondContact OD1-NE 2.75Å; D98-R222 IonicContact OD1-NH2 2.86Å; D98-R222 PolarHBondContact OD1-NH2 3.08Å
99L95.5Very high94.5Very high23 Ų2340.3 Ų40.312%0.1220%0.204CC..  trans-89145.4-179.8-53.1-179.7000111.1E3 A4 L41 L94 K97 R222E3-L99 HydrophobicContact CB-CB 4.44Å; E3-L99 HydrophobicContact CB-CD2 4.03Å; A4-L99 HydrophobicContact CB-CD1 4.21Å; L41-L99 HydrophobicContact CD1-CD1 3.89Å; L94-L99 HydrophobicContact CB-CB 4.39Å; L94-L99 HydrophobicContact CD2-CB 3.97Å; L94-L99 HydrophobicContact CD2-CD1 4.02Å; L94-L99 PolarHBondContact O-N 3.12Å; K97-L99 VanDerWaalsContact C-N 3.28Å; K97-L99 HydrophobicContact CB-CD1 3.98Å; K97-L99 HydrophobicContact CB-CD2 4.38Å; K97-L99 HydrophobicContact CB-CG 3.78Å; K97-L99 HydrophobicContact CD-CD1 4.34Å; K97-L99 WeakPolarHBondContact O-CD2 3.33Å; K97-L99 PolarHBondContact O-N 2.07Å; L99-R222 PolarHBondContact O-NH1 3.39Å; L99-R222 PolarHBondContact O-NH2 2.89Å
100S96.5Very high94.1Very high27 Ų2739.6 Ų39.619%0.18920%0.197CC..  trans-144.6-17.5-173.862.40000114.5E3 I102 V125 Y126 Q127E3-S100 PolarHBondContact OE2-N 3.42Å; E3-S100 PolarHBondContact OE2-OG 3.41Å; S100-I102 VanDerWaalsContact C-CD1 3.49Å; S100-I102 WeakPolarHBondContact O-CD1 3.44Å; S100-V125 WeakPolarHBondContact CB-O 3.47Å; S100-Y126 CarbonylContact O-C 3.51Å; S100-Y126 VanDerWaalsContact O-CA 3.27Å; S100-Y126 WeakPolarHBondContact O-CA 3.41Å; S100-Q127 PolarHBondContact O-N 3.12Å
101V97.3Very high93.9Very high18 Ų1842.8 Ų42.811%0.10921%0.209CC..EExtended strand (participates in β ladder)trans-107103.2177.5-1720000109.9E3 A4E3-V101 HydrophobicContact CG-CB 4.14Å; E3-V101 PolarHBondContact N-O 3.45Å; E3-V101 PolarHBondContact OE2-N 2.9Å; A4-V101 PolarHBondContact N-O 3.49Å
102I97.3Very high93.7Very high3 Ų345.4 Ų45.42%0.01522%0.221CC..EExtended strand (participates in β ladder)trans-115.2128.7-171.5-57.896.8000110.3A4 L6 L94 S100 I104 Y126 Q127 F128 E129A4-I102 HydrophobicContact CB-CG1 4.26Å; A4-I102 WeakPolarHBondContact O-CA 3.28Å; L6-I102 HydrophobicContact CB-CG2 4.18Å; L94-I102 HydrophobicContact CD1-CD1 4.1Å; L94-I102 HydrophobicContact CD1-CG1 3.9Å; L94-I102 HydrophobicContact CD2-CG1 4.2Å; S100-I102 VanDerWaalsContact C-CD1 3.49Å; S100-I102 WeakPolarHBondContact O-CD1 3.44Å; I102-I104 HydrophobicContact CG2-CG1 4.17Å; I102-Y126 HydrophobicContact CD1-CD1 3.79Å; I102-Y126 HydrophobicContact CD1-CG 4.49Å; I102-Q127 PolarHBondContact N-O 3.35Å; I102-F128 HydrophobicContact CB-CD1 3.86Å; I102-F128 HydrophobicContact CB-CE1 3.9Å; I102-F128 HydrophobicContact CD1-CE1 4.01Å; I102-F128 HydrophobicContact CD1-CZ 4.34Å; I102-F128 HydrophobicContact CG1-CE1 4.33Å; I102-F128 HydrophobicContact CG2-CD1 4.23Å; I102-F128 HydrophobicContact CG2-CE1 4.22Å; I102-F128 CarbonylContact O-C 3.13Å; I102-F128 VanDerWaalsContact O-CA 3.3Å; I102-F128 WeakPolarHBondContact O-CA 3.47Å; I102-E129 PolarHBondContact O-N 3.27Å
103K96.6Very high93.5Very high56 Ų5644.3 Ų44.324%0.24322%0.217CC..EExtended strand (participates in β ladder)trans-93.8130.6164.9176.6-178.4-78.1-156.20109.5V2 A4 V5 L6 E129 E131V2-K103 HydrophobicContact CG1-CB 3.74Å; V2-K103 HydrophobicContact CG2-CB 4.2Å; A4-K103 PolarHBondContact O-N 2.82Å; V5-K103 CarbonylContact C-O 3.59Å; V5-K103 VanDerWaalsContact CA-O 3.28Å; V5-K103 WeakPolarHBondContact CA-O 3.31Å; V5-K103 HydrophobicContact CG2-CB 4.44Å; L6-K103 PolarHBondContact N-O 3.2Å; K103-E129 CarbonylContact C-O 3.52Å; K103-E129 WeakPolarHBondContact CA-O 3.49Å; K103-E131 WeakPolarHBondContact CD-OE2 3.42Å; K103-E131 IonicContact NZ-OE2 3.86Å; K103-E131 PolarHBondContact NZ-OE2 3.14Å
104I96.2Very high93.5Very high1 Ų140.3 Ų40.31%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-108.3117.7176.6-56-177.8000109L6 I102 I106 M114 I118 F128 E129 F130 E131L6-I104 HydrophobicContact CB-CG1 4.34Å; L6-I104 HydrophobicContact CD2-CD1 4.48Å; L6-I104 HydrophobicContact CD2-CG1 4.38Å; L6-I104 CarbonylContact O-C 3.55Å; L6-I104 WeakPolarHBondContact O-CA 3.21Å; I102-I104 HydrophobicContact CG2-CG1 4.17Å; I104-I106 HydrophobicContact CG2-CB 3.96Å; I104-I106 HydrophobicContact CG2-CG2 4.11Å; I104-M114 HydrophobicContact CD1-CG 4.11Å; I104-M114 HydrophobicContact CD1-SD 4.47Å; I104-M114 HydrophobicContact CG2-CG 4.5Å; I104-I118 HydrophobicContact CD1-CD1 3.53Å; I104-F128 HydrophobicContact CD1-CD1 3.59Å; I104-F128 HydrophobicContact CD1-CE1 4.11Å; I104-F128 HydrophobicContact CD1-CG 4.41Å; I104-F128 HydrophobicContact CG1-CD1 4.07Å; I104-E129 PolarHBondContact N-O 3.17Å; I104-F130 HydrophobicContact CB-CD1 3.98Å; I104-F130 HydrophobicContact CB-CE1 4.12Å; I104-F130 HydrophobicContact CD1-CE1 3.91Å; I104-F130 HydrophobicContact CD1-CZ 4.06Å; I104-F130 HydrophobicContact CG2-CD1 4.21Å; I104-F130 HydrophobicContact CG2-CE1 4.19Å; I104-F130 CarbonylContact O-C 3.45Å; I104-F130 WeakPolarHBondContact O-CA 3.47Å; I104-E131 PolarHBondContact O-N 3.32Å
105V92.8Very high93.5Very high2 Ų244.1 Ų44.11%0.01222%0.218CC..EExtended strand (participates in β ladder)trans-96.7114.7169.7-170.80000108V5 L6 I7 D8 M27 E131 L133V5-V105 HydrophobicContact CG1-CG2 3.88Å; L6-V105 PolarHBondContact O-N 2.98Å; I7-V105 WeakPolarHBondContact CA-O 3.33Å; I7-V105 HydrophobicContact CG1-CB 4.3Å; I7-V105 HydrophobicContact CG1-CG2 4.5Å; D8-V105 PolarHBondContact N-O 2.73Å; M27-V105 HydrophobicContact CE-CG1 3.98Å; M27-V105 HydrophobicContact CE-CG2 4.04Å; V105-E131 VanDerWaalsContact CA-O 3.3Å; V105-E131 WeakPolarHBondContact CA-O 3.43Å; V105-E131 HydrophobicContact CG2-CB 4.37Å; V105-L133 HydrophobicContact CG1-CB 4.16Å; V105-L133 HydrophobicContact CG1-CD1 3.55Å; V105-L133 HydrophobicContact CG1-CG 4.5Å
106I91.4Very high93.5Very high0 Ų043.7 Ų43.70%022%0.216CC..EExtended strand (participates in β ladder)trans-145.4146.9-167.3-174.2165.3000111.5D8 I104 A108 R110 M114 F130 E131 L133D8-I106 HydrophobicContact CB-CB 4.22Å; D8-I106 HydrophobicContact CB-CD1 4.13Å; D8-I106 HydrophobicContact CB-CG1 3.89Å; D8-I106 WeakPolarHBondContact OD2-CD1 3.24Å; I104-I106 HydrophobicContact CG2-CB 3.96Å; I104-I106 HydrophobicContact CG2-CG2 4.11Å; I106-A108 PolarHBondContact O-N 2.94Å; I106-R110 HydrophobicContact CD1-CB 3.73Å; I106-R110 HydrophobicContact CG1-CB 3.84Å; I106-M114 HydrophobicContact CD1-CB 3.53Å; I106-M114 HydrophobicContact CD1-CE 3.86Å; I106-M114 HydrophobicContact CD1-CG 3.87Å; I106-F130 HydrophobicContact CG2-CD1 3.96Å; I106-E131 PolarHBondContact N-O 3.29Å; I106-L133 PolarHBondContact O-N 3.01Å
107P88.1Confident93.6Very high4 Ų437.8 Ų37.83%0.02619%0.189CC..  trans-57.8133.7168-25.134.7000111.3D8 L12 F109 R110 L133D8-P107 VanDerWaalsContact O-CD 3.27Å; D8-P107 WeakPolarHBondContact O-CD 3.42Å; L12-P107 HydrophobicContact CD2-CG 3.74Å; L12-P107 HydrophobicContact CG-CG 4.27Å; P107-F109 HydrophobicContact CB-CD1 3.73Å; P107-F109 HydrophobicContact CB-CE1 3.35Å; P107-F109 HydrophobicContact CB-CZ 3.97Å; P107-F109 HydrophobicContact CG-CE1 4.27Å; P107-F109 PolarHBondContact O-N 3.49Å; P107-R110 PolarHBondContact O-N 2.87Å; P107-L133 HydrophobicContact CG-CD2 4.08Å
108A88.2Confident93.8Very high63 Ų6333.7 Ų33.752%0.52117%0.171SC..G310 helixtrans-51.7-38.8-172.800000113.3I106 R110 R111I106-A108 PolarHBondContact O-N 2.94Å; A108-R110 VanDerWaalsContact C-N 3.27Å; A108-R110 PolarHBondContact O-N 3.17Å; A108-R111 WeakPolarHBondContact O-CB 3.38Å; A108-R111 PolarHBondContact O-N 3.26Å
109F85.5Confident93.8Very high91 Ų9134.3 Ų34.340%0.39918%0.175SC..G310 helixtrans-69.6-13.3-179.371.1-93.3000115.1P107 H112 L143P107-F109 HydrophobicContact CB-CD1 3.73Å; P107-F109 HydrophobicContact CB-CE1 3.35Å; P107-F109 HydrophobicContact CB-CZ 3.97Å; P107-F109 HydrophobicContact CG-CE1 4.27Å; P107-F109 PolarHBondContact O-N 3.49Å; F109-H112 PolarHBondContact O-CE1 2.72Å; F109-H112 PolarHBondContact O-ND1 3.25Å; F109-L143 HydrophobicContact CE1-CD1 4.42Å
110R89.7Confident93.9Very high30 Ų3036.1 Ų36.111%0.11318%0.182CC..G310 helixtrans-99.1-9.6177.1-68-175.954.382.9-1113.5D8 F10 T83 I106 P107 A108 H112 L113 M114D8-R110 IonicContact OD1-NE 2.83Å; D8-R110 IonicContact OD1-NH2 3.28Å; D8-R110 IonicContact OD2-CZ 3.53Å; D8-R110 IonicContact OD2-NE 3.96Å; D8-R110 PolarHBondContact OD2-NE 3.42Å; D8-R110 IonicContact OD2-NH2 3.51Å; D8-R110 PolarHBondContact OD2-NH2 2.78Å; F10-R110 VanDerWaalsContact CB-CZ 3.49Å; F10-R110 WeakPolarHBondContact O-CD 3.4Å; F10-R110 PolarHBondContact O-NE 2.86Å; T83-R110 PolarHBondContact OG1-NH2 3.11Å; T83-R110 VanDerWaalsContact OG1-NH2 3.13Å; I106-R110 HydrophobicContact CD1-CB 3.73Å; I106-R110 HydrophobicContact CG1-CB 3.84Å; P107-R110 PolarHBondContact O-N 2.87Å; A108-R110 VanDerWaalsContact C-N 3.27Å; A108-R110 PolarHBondContact O-N 3.17Å; R110-H112 VanDerWaalsContact C-N 3.27Å; R110-H112 PolarHBondContact O-N 3.03Å; R110-L113 PolarHBondContact O-N 2.98Å; R110-M114 PolarHBondContact O-N 3.45Å
111R92.3Very high93.9Very high68 Ų6834.9 Ų34.926%0.25717%0.174SC..Hα-helixtrans-56.6-39.5-172.8-174.6-174.4-73.8-128.5-1.1112.5A108 K115 F130 D132A108-R111 WeakPolarHBondContact O-CB 3.38Å; A108-R111 PolarHBondContact O-N 3.26Å; R111-K115 PolarHBondContact O-N 3.47Å; R111-F130 HydrophobicContact CG-CD1 3.99Å; R111-F130 HydrophobicContact CG-CE1 4.25Å; R111-F130 HydrophobicContact CG-CG 4.44Å; R111-F130 VanDerWaalsContact NH1-CB 3.32Å; R111-D132 IonicContact CZ-OD1 2.81Å; R111-D132 IonicContact NE-OD1 3.63Å; R111-D132 VanDerWaalsContact NH2-CG 3.28Å; R111-D132 IonicContact NH2-OD1 2.67Å; R111-D132 PolarHBondContact NH2-OD1 2.95Å; R111-D132 IonicContact NH2-OD2 3.58Å
112H91.6Very high93.9Very high55 Ų5534.7 Ų34.726%0.25517%0.171SC..Hα-helixtrans-68.9-45.2-179.667.9-67.7000112.2F109 R110 M114 K115 V116 Y154 E158F109-H112 PolarHBondContact O-CE1 2.72Å; F109-H112 PolarHBondContact O-ND1 3.25Å; R110-H112 VanDerWaalsContact C-N 3.27Å; R110-H112 PolarHBondContact O-N 3.03Å; H112-M114 VanDerWaalsContact C-N 3.31Å; H112-M114 PolarHBondContact O-N 3.18Å; H112-K115 WeakPolarHBondContact O-CB 3.36Å; H112-K115 PolarHBondContact O-N 3.27Å; H112-V116 PolarHBondContact O-N 3.06Å; H112-Y154 HydrophobicContact CB-CD1 4.28Å; H112-Y154 HydrophobicContact CB-CE1 3.93Å; H112-E158 IonicContact CD2-OE2 3.72Å; H112-E158 IonicContact CE1-OE2 3.87Å; H112-E158 IonicContact NE2-OE2 2.84Å; H112-E158 PolarHBondContact NE2-OE2 3.3Å
113L92.8Very high93.9Very high34 Ų3435.5 Ų35.518%0.17818%0.177CC..Hα-helixtrans-62.1-40.7176.5-60.1179.3000111.4R110 K115 V116 Y117 E158 V162R110-L113 PolarHBondContact O-N 2.98Å; L113-K115 VanDerWaalsContact C-N 3.26Å; L113-K115 PolarHBondContact O-N 3.28Å; L113-V116 WeakPolarHBondContact O-CB 3.47Å; L113-V116 PolarHBondContact O-N 3.49Å; L113-Y117 VanDerWaalsContact O-CD2 3.24Å; L113-Y117 WeakPolarHBondContact O-CD2 3.33Å; L113-Y117 PolarHBondContact O-N 3.36Å; L113-Y117 VanDerWaalsContact O-N 3.09Å; L113-E158 HydrophobicContact CD2-CB 3.9Å; L113-V162 HydrophobicContact CB-CG2 4.43Å; L113-V162 HydrophobicContact CD2-CG2 4.06Å
114M95.8Very high93.9Very high2 Ų236.5 Ų36.51%0.0120%0.195CC..Hα-helixtrans-58.2-37.4176.7-177.358.472.100112.3D8 M45 L87 I104 I106 R110 H112 V116 Y117 I118 F130D8-M114 HydrophobicContact CB-CE 4.17Å; D8-M114 WeakPolarHBondContact OD2-CE 3.36Å; M45-M114 HydrophobicContact SD-CE 4.14Å; L87-M114 HydrophobicContact CD1-CE 4.22Å; L87-M114 HydrophobicContact CD1-SD 3.69Å; L87-M114 HydrophobicContact CD2-CE 4.23Å; L87-M114 HydrophobicContact CD2-SD 3.98Å; L87-M114 HydrophobicContact CG-SD 4.45Å; I104-M114 HydrophobicContact CD1-CG 4.11Å; I104-M114 HydrophobicContact CD1-SD 4.47Å; I104-M114 HydrophobicContact CG2-CG 4.5Å; I106-M114 HydrophobicContact CD1-CB 3.53Å; I106-M114 HydrophobicContact CD1-CE 3.86Å; I106-M114 HydrophobicContact CD1-CG 3.87Å; R110-M114 PolarHBondContact O-N 3.45Å; H112-M114 VanDerWaalsContact C-N 3.31Å; H112-M114 PolarHBondContact O-N 3.18Å; M114-V116 VanDerWaalsContact C-N 3.35Å; M114-V116 PolarHBondContact O-N 2.74Å; M114-Y117 PolarHBondContact O-N 2.91Å; M114-I118 HydrophobicContact CG-CD1 3.96Å; M114-I118 VanDerWaalsContact O-CG1 3.31Å; M114-I118 WeakPolarHBondContact O-CG1 3.42Å; M114-I118 PolarHBondContact O-N 2.79Å; M114-I118 HydrophobicContact SD-CD1 4.4Å; M114-I118 HydrophobicContact SD-CG1 4.48Å; M114-F130 HydrophobicContact CB-CE1 4.39Å; M114-F130 HydrophobicContact CG-CE1 3.94Å; M114-F130 HydrophobicContact CG-CZ 4.4Å
115K96.4Very high93.9Very high81 Ų8138.4 Ų38.435%0.35221%0.207SC..Hα-helixtrans-62.3-41.5174.3-69.7177178.7-178.80111.8R111 H112 L113 Y117 I118 D119 F130R111-K115 PolarHBondContact O-N 3.47Å; H112-K115 WeakPolarHBondContact O-CB 3.36Å; H112-K115 PolarHBondContact O-N 3.27Å; L113-K115 VanDerWaalsContact C-N 3.26Å; L113-K115 PolarHBondContact O-N 3.28Å; K115-Y117 VanDerWaalsContact C-N 3.34Å; K115-Y117 PolarHBondContact O-N 3.46Å; K115-I118 PolarHBondContact O-N 2.94Å; K115-I118 VanDerWaalsContact O-N 3.17Å; K115-D119 PolarHBondContact O-N 2.66Å; K115-F130 HydrophobicContact CG-CE2 4.42Å; K115-F130 HydrophobicContact CG-CZ 4.04Å
116V96.4Very high94.1Very high13 Ų1338.9 Ų38.98%0.07921%0.208CC..Hα-helixtrans-61.6-42.8176.5-175.60000111.2H112 L113 M114 D119 H120 V159 V162H112-V116 PolarHBondContact O-N 3.06Å; L113-V116 WeakPolarHBondContact O-CB 3.47Å; L113-V116 PolarHBondContact O-N 3.49Å; M114-V116 VanDerWaalsContact C-N 3.35Å; M114-V116 PolarHBondContact O-N 2.74Å; V116-D119 PolarHBondContact O-N 2.87Å; V116-H120 PolarHBondContact O-N 3.45Å; V116-H120 PolarHBondContact O-ND1 3.31Å; V116-V159 HydrophobicContact CG1-CG1 4.07Å; V116-V159 HydrophobicContact CG2-CG2 4.31Å; V116-V162 HydrophobicContact CB-CG1 4Å; V116-V162 HydrophobicContact CG1-CB 4.09Å; V116-V162 HydrophobicContact CG1-CG1 3.59Å
117Y97.1Very high94.4Very high8 Ų844.8 Ų44.83%0.03124%0.236CC..Hα-helixtrans-60.2-45.7173.5-77.2-74.6000112.1T83 A84 L87 L113 M114 K115 D119 H120 L121 V162 E165 I166T83-Y117 HydrophobicContact CG2-CD1 4.34Å; T83-Y117 HydrophobicContact CG2-CD2 3.72Å; T83-Y117 HydrophobicContact CG2-CE1 4.12Å; T83-Y117 HydrophobicContact CG2-CE2 3.47Å; T83-Y117 VanDerWaalsContact CG2-CE2 3.47Å; T83-Y117 HydrophobicContact CG2-CG 4.17Å; A84-Y117 HydrophobicContact CB-CD1 4.44Å; A84-Y117 HydrophobicContact CB-CE1 3.9Å; L87-Y117 VanDerWaalsContact CD1-CB 3.41Å; L87-Y117 HydrophobicContact CD1-CD1 4.04Å; L87-Y117 HydrophobicContact CD1-CD2 4.26Å; L87-Y117 HydrophobicContact CD1-CG 3.66Å; L113-Y117 VanDerWaalsContact O-CD2 3.24Å; L113-Y117 WeakPolarHBondContact O-CD2 3.33Å; L113-Y117 PolarHBondContact O-N 3.36Å; L113-Y117 VanDerWaalsContact O-N 3.09Å; M114-Y117 PolarHBondContact O-N 2.91Å; K115-Y117 VanDerWaalsContact C-N 3.34Å; K115-Y117 PolarHBondContact O-N 3.46Å; Y117-D119 PolarHBondContact O-N 2.89Å; Y117-H120 PolarHBondContact O-N 2.81Å; Y117-L121 HydrophobicContact CD1-CD1 4.29Å; Y117-L121 WeakPolarHBondContact O-CB 3.38Å; Y117-L121 PolarHBondContact O-N 3.39Å; Y117-V162 HydrophobicContact CD1-CG1 3.85Å; Y117-V162 HydrophobicContact CD2-CG1 3.91Å; Y117-V162 HydrophobicContact CD2-CG2 4.46Å; Y117-V162 HydrophobicContact CE1-CG1 3.67Å; Y117-V162 HydrophobicContact CE2-CB 4.34Å; Y117-V162 HydrophobicContact CE2-CG1 3.74Å; Y117-V162 HydrophobicContact CE2-CG2 3.73Å; Y117-V162 HydrophobicContact CG-CG1 3.93Å; Y117-E165 PolarHBondContact OH-OE1 3.05Å; Y117-E165 PolarHBondContact OH-OE2 3.44Å; Y117-I166 HydrophobicContact CD1-CD1 3.69Å; Y117-I166 HydrophobicContact CD1-CG1 3.76Å; Y117-I166 HydrophobicContact CE1-CD1 4.12Å; Y117-I166 HydrophobicContact CE1-CG1 3.8Å
118I97.3Very high94.8Very high17 Ų1747 Ų479%0.08725%0.245CC..Hα-helixtrans-59.9-46.6179.2-73165000111I104 M114 K115 H120 L121 F122 F128 F130I104-I118 HydrophobicContact CD1-CD1 3.53Å; M114-I118 HydrophobicContact CG-CD1 3.96Å; M114-I118 VanDerWaalsContact O-CG1 3.31Å; M114-I118 WeakPolarHBondContact O-CG1 3.42Å; M114-I118 PolarHBondContact O-N 2.79Å; M114-I118 HydrophobicContact SD-CD1 4.4Å; M114-I118 HydrophobicContact SD-CG1 4.48Å; K115-I118 PolarHBondContact O-N 2.94Å; K115-I118 VanDerWaalsContact O-N 3.17Å; I118-H120 PolarHBondContact O-N 2.77Å; I118-L121 PolarHBondContact O-N 2.83Å; I118-F122 HydrophobicContact CB-CD2 4.48Å; I118-F122 HydrophobicContact CG1-CD2 4.32Å; I118-F122 HydrophobicContact CG2-CB 4.31Å; I118-F122 WeakPolarHBondContact O-CA 3.26Å; I118-F122 WeakPolarHBondContact O-CB 3.43Å; I118-F122 PolarHBondContact O-N 3.2Å; I118-F128 HydrophobicContact CB-CE2 4.46Å; I118-F128 HydrophobicContact CD1-CD1 4.01Å; I118-F128 HydrophobicContact CD1-CD2 4.24Å; I118-F128 HydrophobicContact CD1-CE1 4.2Å; I118-F128 HydrophobicContact CD1-CE2 4.42Å; I118-F128 HydrophobicContact CD1-CG 4.01Å; I118-F128 HydrophobicContact CD1-CZ 4.39Å; I118-F128 HydrophobicContact CG1-CE1 4.35Å; I118-F128 HydrophobicContact CG1-CE2 4.31Å; I118-F128 HydrophobicContact CG1-CZ 4.18Å; I118-F128 HydrophobicContact CG2-CD2 3.63Å; I118-F128 HydrophobicContact CG2-CE2 3.37Å; I118-F128 HydrophobicContact CG2-CG 4.46Å; I118-F128 HydrophobicContact CG2-CZ 4.02Å; I118-F130 HydrophobicContact CD1-CZ 3.79Å
119D95.9Very high95.2Very high125 Ų12548.8 Ų48.867%0.66824%0.243SC*.Hα-helixtrans-60.7-28.3-178.8-68.8-18.9000112.7K115 V116 Y117K115-D119 PolarHBondContact O-N 2.66Å; V116-D119 PolarHBondContact O-N 2.87Å; Y117-D119 PolarHBondContact O-N 2.89Å
120H96.3Very high95.7Very high61 Ų6147 Ų4728%0.28224%0.235SC..Hα-helixtrans-93.7-39179.9-74.179.2000113.8V116 Y117 I118 I166 P224 A226V116-H120 PolarHBondContact O-N 3.45Å; V116-H120 PolarHBondContact O-ND1 3.31Å; Y117-H120 PolarHBondContact O-N 2.81Å; I118-H120 PolarHBondContact O-N 2.77Å; H120-I166 HydrophobicContact CB-CD1 3.57Å; H120-P224 WeakPolarHBondContact O-CB 3.29Å; H120-A226 HydrophobicContact CB-CB 4.46Å; H120-A226 VanDerWaalsContact O-CB 3.24Å; H120-A226 WeakPolarHBondContact O-CB 3.41Å
121L96.9Very high95.9Very high0 Ų049 Ų490%025%0.246CC..Hα-helixtrans-96.1-17.8-171.9-67.1178.4000113.1L87 Y88 K91 Y117 I118 I166 P224L87-L121 HydrophobicContact CB-CD1 3.94Å; Y88-L121 HydrophobicContact CD2-CD2 4.31Å; K91-L121 WeakPolarHBondContact CD-O 3.31Å; K91-L121 WeakPolarHBondContact CE-O 3.35Å; Y117-L121 HydrophobicContact CD1-CD1 4.29Å; Y117-L121 WeakPolarHBondContact O-CB 3.38Å; Y117-L121 PolarHBondContact O-N 3.39Å; I118-L121 PolarHBondContact O-N 2.83Å; L121-I166 HydrophobicContact CD1-CG1 4.47Å; L121-I166 HydrophobicContact CD2-CG2 3.84Å; L121-I166 HydrophobicContact CG-CD1 4.32Å; L121-I166 HydrophobicContact CG-CG1 4.46Å; L121-I166 HydrophobicContact CG-CG2 4.47Å; L121-P224 WeakPolarHBondContact O-CB 3.28Å; L121-P224 VanDerWaalsContact O-CG 3.3Å; L121-P224 WeakPolarHBondContact O-CG 3.1Å
122F97.4Very high95.7Very high14 Ų1449.3 Ų49.36%0.06125%0.253CS..  trans-119.8170.6-179-63.9-101.2000110.9K91 L94 I118 Y126 F128K91-F122 HydrophobicContact CB-CE1 3.83Å; K91-F122 HydrophobicContact CB-CZ 3.78Å; K91-F122 HydrophobicContact CD-CD1 4.25Å; K91-F122 HydrophobicContact CD-CE1 4.22Å; K91-F122 HydrophobicContact CD-CZ 4.48Å; K91-F122 HydrophobicContact CG-CD1 4Å; K91-F122 HydrophobicContact CG-CE1 3.59Å; K91-F122 HydrophobicContact CG-CZ 4.01Å; L94-F122 HydrophobicContact CD1-CE1 4.09Å; I118-F122 HydrophobicContact CB-CD2 4.48Å; I118-F122 HydrophobicContact CG1-CD2 4.32Å; I118-F122 HydrophobicContact CG2-CB 4.31Å; I118-F122 WeakPolarHBondContact O-CA 3.26Å; I118-F122 WeakPolarHBondContact O-CB 3.43Å; I118-F122 PolarHBondContact O-N 3.2Å; F122-Y126 HydrophobicContact CB-CD2 3.86Å; F122-Y126 HydrophobicContact CB-CE2 4.24Å; F122-Y126 HydrophobicContact CB-CG 4.38Å; F122-Y126 AromaticContact CD1-CD1 3.79Å; F122-Y126 HydrophobicContact CD1-CD1 3.79Å; F122-Y126 AromaticContact CD1-CD2 3.72Å; F122-Y126 HydrophobicContact CD1-CD2 3.72Å; F122-Y126 AromaticContact CD1-CE1 3.88Å; F122-Y126 HydrophobicContact CD1-CE1 3.88Å; F122-Y126 AromaticContact CD1-CE2 3.81Å; F122-Y126 HydrophobicContact CD1-CE2 3.81Å; F122-Y126 AromaticContact CD1-CG 3.7Å; F122-Y126 HydrophobicContact CD1-CG 3.7Å; F122-Y126 AromaticContact CD1-CZ 3.87Å; F122-Y126 HydrophobicContact CE1-CD1 4.23Å; F122-Y126 HydrophobicContact CE1-CE1 4.19Å; F122-Y126 HydrophobicContact CG-CD2 4.29Å; F122-Y126 HydrophobicContact CG-CE2 4.49Å; F122-F128 HydrophobicContact CB-CE2 4.13Å; F122-F128 HydrophobicContact CB-CZ 4.16Å; F122-F128 HydrophobicContact CD1-CE2 4.35Å; F122-F128 AromaticContact CD1-CZ 3.6Å; F122-F128 HydrophobicContact CD1-CZ 3.6Å; F122-F128 HydrophobicContact CD2-CZ 4.19Å; F122-F128 AromaticContact CE1-CZ 3.93Å; F122-F128 HydrophobicContact CE1-CZ 3.93Å; F122-F128 HydrophobicContact CE2-CZ 4.48Å; F122-F128 HydrophobicContact CG-CE2 4.2Å; F122-F128 AromaticContact CG-CZ 3.72Å; F122-F128 HydrophobicContact CG-CZ 3.72Å; F122-F128 HydrophobicContact CZ-CZ 4.36Å
123T96.8Very high95.3Very high21 Ų2147.4 Ų47.413%0.12924%0.244CC..  trans-122.6176.7176.667.90000110.4V125 Y126 R221 P224T123-V125 PolarHBondContact O-N 2.79Å; T123-V125 PolarHBondContact OG1-N 3.26Å; T123-Y126 WeakPolarHBondContact O-CD2 3.45Å; T123-Y126 PolarHBondContact O-N 3.47Å; T123-Y126 VanDerWaalsContact O-N 3.08Å; T123-R221 VanDerWaalsContact CB-O 3.25Å; T123-R221 WeakPolarHBondContact CB-O 3.2Å; T123-R221 VanDerWaalsContact CG2-O 3.23Å; T123-R221 WeakPolarHBondContact CG2-O 3.41Å; T123-R221 PolarHBondContact OG1-O 2.83Å; T123-P224 HydrophobicContact CG2-CB 4.26Å
124A96.5Very high94.4Very high77 Ų7753.3 Ų53.364%0.63627%0.271SS*.THydrogen-bonded Turntrans-65.9-2.5176.400000114.2Y126A124-Y126 PolarHBondContact O-N 3.43Å
125V96Very high92.8Very high40 Ų4055 Ų5524%0.24228%0.279CS..THydrogen-bonded Turntrans-64.3-30.2168.9176.20000110.9S100 T123 R222S100-V125 WeakPolarHBondContact CB-O 3.47Å; T123-V125 PolarHBondContact O-N 2.79Å; T123-V125 PolarHBondContact OG1-N 3.26Å; V125-R222 HydrophobicContact CB-CG 4.33Å; V125-R222 HydrophobicContact CG1-CG 3.88Å; V125-R222 HydrophobicContact CG2-CG 4.44Å
126Y97.7Very high90.7Very high12 Ų1254.1 Ų54.15%0.04729%0.287CS..  trans-94.5146.8-178.1-51.8-99.1000111.4K91 D95 S100 I102 F122 T123 A124 F128 R222K91-Y126 WeakPolarHBondContact CE-OH 3.24Å; K91-Y126 PolarHBondContact NZ-OH 3.36Å; D95-Y126 PolarHBondContact OD1-OH 3.39Å; D95-Y126 PolarHBondContact OD2-OH 3.41Å; S100-Y126 CarbonylContact O-C 3.51Å; S100-Y126 VanDerWaalsContact O-CA 3.27Å; S100-Y126 WeakPolarHBondContact O-CA 3.41Å; I102-Y126 HydrophobicContact CD1-CD1 3.79Å; I102-Y126 HydrophobicContact CD1-CG 4.49Å; F122-Y126 HydrophobicContact CB-CD2 3.86Å; F122-Y126 HydrophobicContact CB-CE2 4.24Å; F122-Y126 HydrophobicContact CB-CG 4.38Å; F122-Y126 AromaticContact CD1-CD1 3.79Å; F122-Y126 HydrophobicContact CD1-CD1 3.79Å; F122-Y126 AromaticContact CD1-CD2 3.72Å; F122-Y126 HydrophobicContact CD1-CD2 3.72Å; F122-Y126 AromaticContact CD1-CE1 3.88Å; F122-Y126 HydrophobicContact CD1-CE1 3.88Å; F122-Y126 AromaticContact CD1-CE2 3.81Å; F122-Y126 HydrophobicContact CD1-CE2 3.81Å; F122-Y126 AromaticContact CD1-CG 3.7Å; F122-Y126 HydrophobicContact CD1-CG 3.7Å; F122-Y126 AromaticContact CD1-CZ 3.87Å; F122-Y126 HydrophobicContact CE1-CD1 4.23Å; F122-Y126 HydrophobicContact CE1-CE1 4.19Å; F122-Y126 HydrophobicContact CG-CD2 4.29Å; F122-Y126 HydrophobicContact CG-CE2 4.49Å; T123-Y126 WeakPolarHBondContact O-CD2 3.45Å; T123-Y126 PolarHBondContact O-N 3.47Å; T123-Y126 VanDerWaalsContact O-N 3.08Å; A124-Y126 PolarHBondContact O-N 3.43Å; Y126-F128 HydrophobicContact CG-CE2 4.49Å; Y126-F128 HydrophobicContact CG-CZ 4.41Å; Y126-R222 VanDerWaalsContact CE1-NH1 3.32Å; Y126-R222 HydrophobicContact CE2-CG 4.47Å
127Q97.7Very high88.2Confident125 Ų12557.9 Ų57.958%0.58431%0.313SS*.EExtended strand (participates in β ladder)trans-119.2132.8174.9-62.2178.4700108.3S100 I102S100-Q127 PolarHBondContact O-N 3.12Å; I102-Q127 PolarHBondContact N-O 3.35Å
128F97.5Very high85.6Confident49 Ų4964 Ų6422%0.21535%0.347CS..EExtended strand (participates in β ladder)trans-121.1128.9-176.6-65-80.6000111.4I102 I104 I118 F122 Y126 F130I102-F128 HydrophobicContact CB-CD1 3.86Å; I102-F128 HydrophobicContact CB-CE1 3.9Å; I102-F128 HydrophobicContact CD1-CE1 4.01Å; I102-F128 HydrophobicContact CD1-CZ 4.34Å; I102-F128 HydrophobicContact CG1-CE1 4.33Å; I102-F128 HydrophobicContact CG2-CD1 4.23Å; I102-F128 HydrophobicContact CG2-CE1 4.22Å; I102-F128 CarbonylContact O-C 3.13Å; I102-F128 VanDerWaalsContact O-CA 3.3Å; I102-F128 WeakPolarHBondContact O-CA 3.47Å; I104-F128 HydrophobicContact CD1-CD1 3.59Å; I104-F128 HydrophobicContact CD1-CE1 4.11Å; I104-F128 HydrophobicContact CD1-CG 4.41Å; I104-F128 HydrophobicContact CG1-CD1 4.07Å; I118-F128 HydrophobicContact CB-CE2 4.46Å; I118-F128 HydrophobicContact CD1-CD1 4.01Å; I118-F128 HydrophobicContact CD1-CD2 4.24Å; I118-F128 HydrophobicContact CD1-CE1 4.2Å; I118-F128 HydrophobicContact CD1-CE2 4.42Å; I118-F128 HydrophobicContact CD1-CG 4.01Å; I118-F128 HydrophobicContact CD1-CZ 4.39Å; I118-F128 HydrophobicContact CG1-CE1 4.35Å; I118-F128 HydrophobicContact CG1-CE2 4.31Å; I118-F128 HydrophobicContact CG1-CZ 4.18Å; I118-F128 HydrophobicContact CG2-CD2 3.63Å; I118-F128 HydrophobicContact CG2-CE2 3.37Å; I118-F128 HydrophobicContact CG2-CG 4.46Å; I118-F128 HydrophobicContact CG2-CZ 4.02Å; F122-F128 HydrophobicContact CB-CE2 4.13Å; F122-F128 HydrophobicContact CB-CZ 4.16Å; F122-F128 HydrophobicContact CD1-CE2 4.35Å; F122-F128 AromaticContact CD1-CZ 3.6Å; F122-F128 HydrophobicContact CD1-CZ 3.6Å; F122-F128 HydrophobicContact CD2-CZ 4.19Å; F122-F128 AromaticContact CE1-CZ 3.93Å; F122-F128 HydrophobicContact CE1-CZ 3.93Å; F122-F128 HydrophobicContact CE2-CZ 4.48Å; F122-F128 HydrophobicContact CG-CE2 4.2Å; F122-F128 AromaticContact CG-CZ 3.72Å; F122-F128 HydrophobicContact CG-CZ 3.72Å; F122-F128 HydrophobicContact CZ-CZ 4.36Å; Y126-F128 HydrophobicContact CG-CE2 4.49Å; Y126-F128 HydrophobicContact CG-CZ 4.41Å; F128-F130 HydrophobicContact CB-CE2 4.19Å
129E96.7Very high83Confident101 Ų10165 Ų6547%0.47236%0.355SS..EExtended strand (participates in β ladder)trans-111.3139.1168.3-66178.4-174.100108.8I102 K103 I104I102-E129 PolarHBondContact O-N 3.27Å; K103-E129 CarbonylContact C-O 3.52Å; K103-E129 WeakPolarHBondContact CA-O 3.49Å; I104-E129 PolarHBondContact N-O 3.17Å
130F95.4Very high80.4Confident53 Ų5363.4 Ų63.423%0.23235%0.346CS..EExtended strand (participates in β ladder)trans-113136.2-178.9-72.4-93000111.8I104 I106 R111 M114 K115 I118 F128I104-F130 HydrophobicContact CB-CD1 3.98Å; I104-F130 HydrophobicContact CB-CE1 4.12Å; I104-F130 HydrophobicContact CD1-CE1 3.91Å; I104-F130 HydrophobicContact CD1-CZ 4.06Å; I104-F130 HydrophobicContact CG2-CD1 4.21Å; I104-F130 HydrophobicContact CG2-CE1 4.19Å; I104-F130 CarbonylContact O-C 3.45Å; I104-F130 WeakPolarHBondContact O-CA 3.47Å; I106-F130 HydrophobicContact CG2-CD1 3.96Å; R111-F130 HydrophobicContact CG-CD1 3.99Å; R111-F130 HydrophobicContact CG-CE1 4.25Å; R111-F130 HydrophobicContact CG-CG 4.44Å; R111-F130 VanDerWaalsContact NH1-CB 3.32Å; M114-F130 HydrophobicContact CB-CE1 4.39Å; M114-F130 HydrophobicContact CG-CE1 3.94Å; M114-F130 HydrophobicContact CG-CZ 4.4Å; K115-F130 HydrophobicContact CG-CE2 4.42Å; K115-F130 HydrophobicContact CG-CZ 4.04Å; I118-F130 HydrophobicContact CD1-CZ 3.79Å; F128-F130 HydrophobicContact CB-CE2 4.19Å
131E92.6Very high77.7Confident74 Ų7467.6 Ų67.635%0.34637%0.371SS..EExtended strand (participates in β ladder)trans-129.4135175.8-171.8169.315900109K103 I104 V105 I106K103-E131 WeakPolarHBondContact CD-OE2 3.42Å; K103-E131 IonicContact NZ-OE2 3.86Å; K103-E131 PolarHBondContact NZ-OE2 3.14Å; I104-E131 PolarHBondContact O-N 3.32Å; V105-E131 VanDerWaalsContact CA-O 3.3Å; V105-E131 WeakPolarHBondContact CA-O 3.43Å; V105-E131 HydrophobicContact CG2-CB 4.37Å; I106-E131 PolarHBondContact N-O 3.29Å
132D89.6Confident75.2Confident74 Ų7474.7 Ų74.740%0.39641%0.408SS..EExtended strand (participates in β ladder)trans-75.6132.8179.8-70.8-36.5000110.7R111 Q134R111-D132 IonicContact CZ-OD1 2.81Å; R111-D132 IonicContact NE-OD1 3.63Å; R111-D132 VanDerWaalsContact NH2-CG 3.28Å; R111-D132 IonicContact NH2-OD1 2.67Å; R111-D132 PolarHBondContact NH2-OD1 2.95Å; R111-D132 IonicContact NH2-OD2 3.58Å; D132-Q134 PolarHBondContact O-N 3.45Å; D132-Q134 VanDerWaalsContact O-N 3.11Å
133L83.6Confident72.5Confident14 Ų1479.1 Ų79.17%0.07343%0.432CS..  trans-69.7106170.7-167.971.8000108.9I7 L9 L12 L23 V105 I106 P107 M135I7-L133 HydrophobicContact CG2-CD1 4.42Å; L9-L133 HydrophobicContact CD2-CD2 4.18Å; L12-L133 HydrophobicContact CD1-CD2 4.03Å; L23-L133 HydrophobicContact CD2-CD1 3.57Å; L23-L133 HydrophobicContact CD2-CD2 4.44Å; L23-L133 HydrophobicContact CD2-CG 3.99Å; V105-L133 HydrophobicContact CG1-CB 4.16Å; V105-L133 HydrophobicContact CG1-CD1 3.55Å; V105-L133 HydrophobicContact CG1-CG 4.5Å; I106-L133 PolarHBondContact O-N 3.01Å; P107-L133 HydrophobicContact CG-CD2 4.08Å; L133-M135 HydrophobicContact CD2-CE 4.26Å; L133-M135 HydrophobicContact CD2-SD 4.28Å; L133-M135 HydrophobicContact CG-CE 4.47Å; L133-M135 PolarHBondContact O-N 2.63Å
134Q72.1Confident69.7Low159 Ų15983.7 Ų83.774%0.74345%0.454SS*.  trans-65.6111.5177.3-65.6-94-23.500109.5L23 D132L23-Q134 WeakPolarHBondContact CD1-O 3.3Å; D132-Q134 PolarHBondContact O-N 3.45Å; D132-Q134 VanDerWaalsContact O-N 3.11Å
135M61.9Low66.8Low38 Ų3884.4 Ų84.419%0.18746%0.46CS..  trans-102.6148.5174.9-58.8-93.766.800109.5L12 L16 L23 L133L12-M135 HydrophobicContact CD2-SD 3.64Å; L16-M135 HydrophobicContact CD2-CE 3.87Å; L16-M135 HydrophobicContact CD2-SD 3.81Å; L23-M135 HydrophobicContact CD2-CE 4.09Å; L133-M135 HydrophobicContact CD2-CE 4.26Å; L133-M135 HydrophobicContact CD2-SD 4.28Å; L133-M135 HydrophobicContact CG-CE 4.47Å; L133-M135 PolarHBondContact O-N 2.63Å
136A52.6Low63.9Low61 Ų6190.4 Ų90.450%0.50449%0.485SS..  trans-56.9143.5177.900000111.5D138 C139A136-D138 PolarHBondContact O-N 3.49Å; A136-C139 PolarHBondContact O-N 3.23Å
137S44.7Very low60.9Low92 Ų9295.8 Ų95.864%0.64352%0.522SS*.G310 helixtrans-52.4-23.4-166.351.60000116.2C139S137-C139 PolarHBondContact O-N 3.2Å
138D43.5Very low58.1Low137 Ų13796.6 Ų96.673%0.73353%0.525SS*.G310 helixtrans-76.1-10.4-174.5-61.1-11000113.1A136A136-D138 PolarHBondContact O-N 3.49Å
139C42.6Very low55.1Low38 Ų3899.7 Ų99.726%0.25755%0.549SS..G310 helixtrans-97.2-14.8-178.5-65.30000114.4L16 A136 S137 N141L16-C139 HydrophobicContact CD1-CB 4.31Å; L16-C139 VanDerWaalsContact CD1-SG 3.56Å; A136-C139 PolarHBondContact O-N 3.23Å; S137-C139 PolarHBondContact O-N 3.2Å; C139-N141 PolarHBondContact O-N 2.86Å
140N40.4Very low52.4Low91 Ų91104.4 Ų104.449%0.48757%0.57SS.*G310 helixtrans-66.7-23.3-179.6-87-11.5000112.8L142 I144N140-L142 PolarHBondContact O-N 3.01Å; N140-I144 HydrophobicContact CB-CD1 4.01Å; N140-I144 WeakPolarHBondContact O-CD1 3.41Å; N140-I144 WeakPolarHBondContact O-CG1 3.48Å
141N40.5Very low49.9Very low149 Ų149105.6 Ų105.680%0.79760%0.598SS**G310 helixtrans-84.1-6-174.8-71.1-19.5000115C139C139-N141 PolarHBondContact O-N 2.86Å
142L43.1Very low47.5Very low149 Ų149106.6 Ų106.678%0.7860%0.603SS**G310 helixtrans-102-10.3-176.2-81.8158.7000114.5N140N140-L142 PolarHBondContact O-N 3.01Å
143L42Very low45.7Very low108 Ų108109.8 Ų109.857%0.56563%0.625SS**THydrogen-bonded Turntrans-138.92.6-170.4-70.4169000115.6F109 A145F109-L143 HydrophobicContact CE1-CD1 4.42Å; L143-A145 PolarHBondContact O-N 2.99Å; L143-A145 VanDerWaalsContact O-N 3.13Å
144I36.4Very low44.3Very low117 Ų117114.8 Ų114.860%0.664%0.643SS**  trans-81.797.9179-62169.7000109.9N140N140-I144 HydrophobicContact CB-CD1 4.01Å; N140-I144 WeakPolarHBondContact O-CD1 3.41Å; N140-I144 WeakPolarHBondContact O-CG1 3.48Å
145A37.1Very low44Very low91 Ų91110.9 Ų110.975%0.75263%0.632SS**  trans-79.4140.9139.800000107.9L143L143-A145 PolarHBondContact O-N 2.99Å; L143-A145 VanDerWaalsContact O-N 3.13Å
146E33.7Very low44.6Very low167 Ų167113.7 Ų113.778%0.7865%0.652SS**  trans-47.7150-170.3-69.2-179.116100115Q148E146-Q148 PolarHBondContact O-N 3.08Å
147P36.1Very low46.2Very low124 Ų124117.8 Ų117.881%0.80566%0.66SS**  trans-65.6108.7-179.625.1-28.7000110.3
148Q38.1Very low48.2Very low142 Ų142117.1 Ų117.166%0.66465%0.647SS**  trans-75.4126.8175.5-66.4-133.9-18.400109.9E146 Q152E146-Q148 PolarHBondContact O-N 3.08Å; Q148-Q152 VanDerWaalsContact CB-OE1 3.24Å
149T35.4Very low50.3Low115 Ų115112.7 Ų112.771%0.70663%0.625SS**  trans-68.5149.4-176.1-10.50000110.3G151T149-G151 PolarHBondContact O-N 2.75Å
150E38.5Very low52.6Low199 Ų199116.6 Ų116.693%0.9364%0.639SS**THydrogen-bonded Turntrans-53.3108.8175.2-72.3-177.615000110.4
151G43Very low55.1Low78 Ų78117.7 Ų117.780%0.80464%0.644SS**THydrogen-bonded Turntrans137.7-1177.300000117.2T149T149-G151 PolarHBondContact O-N 2.75Å
152Q42Very low57.7Low96 Ų96110.8 Ų110.845%0.44961%0.608SS.*PPolyproline II helixtrans-87.4130-179.7-68.1-171.5-86.100113.4Q148 Y154Q148-Q152 VanDerWaalsContact CB-OE1 3.24Å; Q152-Y154 PolarHBondContact O-N 2.86Å
153T51.6Low60.1Low140 Ų140106 Ų10686%0.85959%0.585SS**PPolyproline II helixtrans-57.5119.4171.5-22.10000109.6
154Y55.8Low62.7Low119 Ų119103.3 Ų103.347%0.46758%0.575SS.*PPolyproline II helixtrans-64.2153.2-175.9-54.8-77.1000112.3H112 Q152 T156H112-Y154 HydrophobicContact CB-CD1 4.28Å; H112-Y154 HydrophobicContact CB-CE1 3.93Å; Q152-Y154 PolarHBondContact O-N 2.86Å; Y154-T156 PolarHBondContact O-N 2.78Å
155P65.2Low65.5Low78 Ų7899.9 Ų99.951%0.50656%0.556SS.*  trans-57.7113.8170.4-17.229.2000109.1Q157 E158P155-Q157 PolarHBondContact O-N 3.05Å; P155-E158 HydrophobicContact CB-CG 4.5Å; P155-E158 PolarHBondContact O-N 3.38Å; P155-E158 VanDerWaalsContact O-N 3.1Å
156T75.1Confident68.4Low97 Ų9795.8 Ų95.860%0.59552%0.522SS*.Hα-helixtrans-51.8-34.9-174.4-49.30000112.4Y154 V159 E160Y154-T156 PolarHBondContact O-N 2.78Å; T156-V159 PolarHBondContact O-N 2.87Å; T156-E160 WeakPolarHBondContact O-CG 3.44Å; T156-E160 PolarHBondContact O-N 3.24Å
157Q85.2Confident71.4Confident146 Ų14692.5 Ų92.568%0.68251%0.506SS*.Hα-helixtrans-66.1-37.7-177.9-167.7175.17.600114.1P155 L161P155-Q157 PolarHBondContact O-N 3.05Å; Q157-L161 WeakPolarHBondContact O-CG 3.46Å; Q157-L161 PolarHBondContact O-N 2.9Å; Q157-L161 VanDerWaalsContact O-N 3.13Å
158E86.4Confident74.3Confident78 Ų7892 Ų9236%0.36450%0.495SS..Hα-helixtrans-71.2-37.5179.4-68.3-173.3171.100111.6H112 L113 P155 L161 V162H112-E158 IonicContact CD2-OE2 3.72Å; H112-E158 IonicContact CE1-OE2 3.87Å; H112-E158 IonicContact NE2-OE2 2.84Å; H112-E158 PolarHBondContact NE2-OE2 3.3Å; L113-E158 HydrophobicContact CD2-CB 3.9Å; P155-E158 HydrophobicContact CB-CG 4.5Å; P155-E158 PolarHBondContact O-N 3.38Å; P155-E158 VanDerWaalsContact O-N 3.1Å; E158-L161 PolarHBondContact O-N 3.37Å; E158-V162 WeakPolarHBondContact O-CG2 3.4Å; E158-V162 PolarHBondContact O-N 3.09Å; E158-V162 VanDerWaalsContact O-N 3.11Å
159V88.2Confident77.2Confident44 Ų4486.7 Ų86.727%0.26747%0.47SS..Hα-helixtrans-64.5-43.7175.6179.20000110.3V116 T156 L161 V162 T163V116-V159 HydrophobicContact CG1-CG1 4.07Å; V116-V159 HydrophobicContact CG2-CG2 4.31Å; T156-V159 PolarHBondContact O-N 2.87Å; V159-L161 VanDerWaalsContact C-N 3.32Å; V159-L161 PolarHBondContact O-N 3.49Å; V159-V162 PolarHBondContact O-N 3.01Å; V159-T163 PolarHBondContact O-N 3.38Å; V159-T163 PolarHBondContact O-OG1 2.85Å
160E91.1Very high80.1Confident120 Ų12081.5 Ų81.556%0.56144%0.438SS*.Hα-helixtrans-59.3-41.1175.5-76.2173.3-177.900112.4T156 T163 S164T156-E160 WeakPolarHBondContact O-CG 3.44Å; T156-E160 PolarHBondContact O-N 3.24Å; E160-T163 PolarHBondContact O-N 3.45Å; E160-S164 VanDerWaalsContact O-CB 3.31Å; E160-S164 WeakPolarHBondContact O-CB 3.44Å; E160-S164 PolarHBondContact O-N 3.37Å
161L92.9Very high82.9Confident114 Ų11475.3 Ų75.360%0.59741%0.409SS*.Hα-helixtrans-62.7-44.2175.8-72.1170.8000111.9Q157 E158 V159 S164 E165Q157-L161 WeakPolarHBondContact O-CG 3.46Å; Q157-L161 PolarHBondContact O-N 2.9Å; Q157-L161 VanDerWaalsContact O-N 3.13Å; E158-L161 PolarHBondContact O-N 3.37Å; V159-L161 VanDerWaalsContact C-N 3.32Å; V159-L161 PolarHBondContact O-N 3.49Å; L161-S164 PolarHBondContact O-N 3.28Å; L161-E165 WeakPolarHBondContact O-CB 3.27Å; L161-E165 PolarHBondContact O-N 2.97Å
162V94.3Very high85.5Confident5 Ų575.7 Ų75.73%0.0340%0.399CS..Hα-helixtrans-62.2-47.8176.2169.40000111.1L113 V116 Y117 E158 V159 S164 E165 I166L113-V162 HydrophobicContact CB-CG2 4.43Å; L113-V162 HydrophobicContact CD2-CG2 4.06Å; V116-V162 HydrophobicContact CB-CG1 4Å; V116-V162 HydrophobicContact CG1-CB 4.09Å; V116-V162 HydrophobicContact CG1-CG1 3.59Å; Y117-V162 HydrophobicContact CD1-CG1 3.85Å; Y117-V162 HydrophobicContact CD2-CG1 3.91Å; Y117-V162 HydrophobicContact CD2-CG2 4.46Å; Y117-V162 HydrophobicContact CE1-CG1 3.67Å; Y117-V162 HydrophobicContact CE2-CB 4.34Å; Y117-V162 HydrophobicContact CE2-CG1 3.74Å; Y117-V162 HydrophobicContact CE2-CG2 3.73Å; Y117-V162 HydrophobicContact CG-CG1 3.93Å; E158-V162 WeakPolarHBondContact O-CG2 3.4Å; E158-V162 PolarHBondContact O-N 3.09Å; E158-V162 VanDerWaalsContact O-N 3.11Å; V159-V162 PolarHBondContact O-N 3.01Å; V162-S164 VanDerWaalsContact C-N 3.31Å; V162-S164 PolarHBondContact O-N 3.32Å; V162-E165 PolarHBondContact O-N 3.36Å; V162-I166 HydrophobicContact CG1-CD1 3.93Å; V162-I166 WeakPolarHBondContact O-CG1 3.48Å; V162-I166 PolarHBondContact O-N 3.21Å
163T94Very high88.1Confident49 Ų4972.8 Ų72.830%0.30139%0.386SS..Hα-helixtrans-61.7-40.9178.3-610000111.4V159 E160 I166 Q167V159-T163 PolarHBondContact O-N 3.38Å; V159-T163 PolarHBondContact O-OG1 2.85Å; E160-T163 PolarHBondContact O-N 3.45Å; T163-I166 PolarHBondContact O-N 3.03Å; T163-Q167 WeakPolarHBondContact O-CB 3.35Å; T163-Q167 PolarHBondContact O-N 3.47Å
164S95.7Very high90.2Very high51 Ų5170.8 Ų70.836%0.35738%0.376SS..Hα-helixtrans-64.7-40.9175.3-173.10000112.2E160 L161 V162 Q167 M168E160-S164 VanDerWaalsContact O-CB 3.31Å; E160-S164 WeakPolarHBondContact O-CB 3.44Å; E160-S164 PolarHBondContact O-N 3.37Å; L161-S164 PolarHBondContact O-N 3.28Å; V162-S164 VanDerWaalsContact C-N 3.31Å; V162-S164 PolarHBondContact O-N 3.32Å; S164-Q167 PolarHBondContact O-N 2.86Å; S164-M168 WeakPolarHBondContact O-CB 3.39Å; S164-M168 WeakPolarHBondContact O-CE 3.41Å; S164-M168 VanDerWaalsContact O-CG 3.3Å; S164-M168 WeakPolarHBondContact O-CG 3.22Å; S164-M168 PolarHBondContact O-N 2.9Å
165E96.2Very high92Very high44 Ų4467.5 Ų67.521%0.20637%0.37CS..Hα-helixtrans-61.8-45.5177.2-172.5-175.7130.100111.3T82 T83 A84 Y117 L161 V162 H169T82-E165 WeakPolarHBondContact CB-OE1 3.21Å; T82-E165 HydrophobicContact CG2-CG 4.3Å; T83-E165 WeakPolarHBondContact CA-OE1 3.43Å; T83-E165 PolarHBondContact N-OE1 2.73Å; A84-E165 HydrophobicContact CB-CG 3.93Å; A84-E165 PolarHBondContact N-OE1 2.79Å; Y117-E165 PolarHBondContact OH-OE1 3.05Å; Y117-E165 PolarHBondContact OH-OE2 3.44Å; L161-E165 WeakPolarHBondContact O-CB 3.27Å; L161-E165 PolarHBondContact O-N 2.97Å; V162-E165 PolarHBondContact O-N 3.36Å; E165-H169 WeakPolarHBondContact O-CB 3.3Å; E165-H169 PolarHBondContact O-N 2.91Å
166I97.7Very high93.4Very high5 Ų566.7 Ų66.73%0.02636%0.361CS..Hα-helixtrans-60.8-49.3176-67.5168.8000110.5A84 Y117 H120 L121 V162 T163 H169 L170 A226A84-I166 HydrophobicContact CB-CG1 4.01Å; Y117-I166 HydrophobicContact CD1-CD1 3.69Å; Y117-I166 HydrophobicContact CD1-CG1 3.76Å; Y117-I166 HydrophobicContact CE1-CD1 4.12Å; Y117-I166 HydrophobicContact CE1-CG1 3.8Å; H120-I166 HydrophobicContact CB-CD1 3.57Å; L121-I166 HydrophobicContact CD1-CG1 4.47Å; L121-I166 HydrophobicContact CD2-CG2 3.84Å; L121-I166 HydrophobicContact CG-CD1 4.32Å; L121-I166 HydrophobicContact CG-CG1 4.46Å; L121-I166 HydrophobicContact CG-CG2 4.47Å; V162-I166 HydrophobicContact CG1-CD1 3.93Å; V162-I166 WeakPolarHBondContact O-CG1 3.48Å; V162-I166 PolarHBondContact O-N 3.21Å; T163-I166 PolarHBondContact O-N 3.03Å; I166-H169 PolarHBondContact O-N 2.89Å; I166-L170 HydrophobicContact CG2-CD1 3.91Å; I166-L170 HydrophobicContact CG2-CG 4.31Å; I166-L170 WeakPolarHBondContact O-CG 3.16Å; I166-L170 PolarHBondContact O-N 3.09Å; I166-A226 HydrophobicContact CG2-CB 4.22Å
167Q97.1Very high94Very high98 Ų9867.2 Ų67.246%0.45836%0.355SS..Hα-helixtrans-58.4-51.4179.8179.6177.5-11.900111.3T163 S164 H169 L170 E171T163-Q167 WeakPolarHBondContact O-CB 3.35Å; T163-Q167 PolarHBondContact O-N 3.47Å; S164-Q167 PolarHBondContact O-N 2.86Å; Q167-H169 VanDerWaalsContact C-N 3.27Å; Q167-H169 PolarHBondContact O-N 2.83Å; Q167-L170 PolarHBondContact O-N 2.99Å; Q167-E171 HydrophobicContact CG-CG 4.26Å; Q167-E171 VanDerWaalsContact CG-OE1 3.25Å; Q167-E171 WeakPolarHBondContact CG-OE1 3.34Å; Q167-E171 PolarHBondContact NE2-OE1 3.33Å; Q167-E171 WeakPolarHBondContact O-CB 3.24Å; Q167-E171 WeakPolarHBondContact O-CG 3.37Å; Q167-E171 PolarHBondContact O-N 2.92Å
168M97.3Very high94.3Very high115 Ų11562.7 Ų62.757%0.56735%0.348SS*.Hα-helixtrans-58.4-40.3178.8-73.4-174.4-66.600112S164 S172S164-M168 WeakPolarHBondContact O-CB 3.39Å; S164-M168 WeakPolarHBondContact O-CE 3.41Å; S164-M168 VanDerWaalsContact O-CG 3.3Å; S164-M168 WeakPolarHBondContact O-CG 3.22Å; S164-M168 PolarHBondContact O-N 2.9Å; M168-S172 WeakPolarHBondContact O-CB 2.88Å; M168-S172 PolarHBondContact O-N 3.13Å; M168-S172 VanDerWaalsContact O-N 3.12Å
169H97.6Very high94.6Very high30 Ų3065.9 Ų65.914%0.13936%0.363CS..Hα-helixtrans-63.1-51.9176.6-179.859.2000111.5A84 Y88 E165 I166 Q167 E171 S172 L173A84-H169 HydrophobicContact CB-CB 4.12Å; Y88-H169 AromaticContact CD1-NE2 3.75Å; Y88-H169 AromaticContact CG-NE2 3.72Å; E165-H169 WeakPolarHBondContact O-CB 3.3Å; E165-H169 PolarHBondContact O-N 2.91Å; I166-H169 PolarHBondContact O-N 2.89Å; Q167-H169 VanDerWaalsContact C-N 3.27Å; Q167-H169 PolarHBondContact O-N 2.83Å; H169-E171 VanDerWaalsContact C-N 3.35Å; H169-E171 PolarHBondContact O-N 3.45Å; H169-S172 WeakPolarHBondContact O-CB 3.08Å; H169-S172 PolarHBondContact O-N 3.14Å; H169-S172 VanDerWaalsContact O-N 3.12Å; H169-S172 PolarHBondContact O-OG 3.36Å; H169-L173 PolarHBondContact O-N 3.28Å
170L98Very high94.9Very high5 Ų564.9 Ų64.93%0.02636%0.356CS..Hα-helixtrans-63.9-38-178.5-63.9-179.9000112.7Y88 I166 Q167 S172 L173 I204 A226 V227 E230 R234Y88-L170 HydrophobicContact CD2-CD2 3.82Å; Y88-L170 HydrophobicContact CE2-CD2 3.57Å; I166-L170 HydrophobicContact CG2-CD1 3.91Å; I166-L170 HydrophobicContact CG2-CG 4.31Å; I166-L170 WeakPolarHBondContact O-CG 3.16Å; I166-L170 PolarHBondContact O-N 3.09Å; Q167-L170 PolarHBondContact O-N 2.99Å; L170-S172 VanDerWaalsContact C-N 3.26Å; L170-S172 PolarHBondContact O-N 2.89Å; L170-L173 HydrophobicContact CD2-CD1 3.93Å; L170-L173 WeakPolarHBondContact O-CB 3.49Å; L170-L173 PolarHBondContact O-N 2.98Å; L170-I204 HydrophobicContact CB-CD1 4.07Å; L170-I204 HydrophobicContact CD2-CD1 4Å; L170-I204 HydrophobicContact CG-CD1 4.49Å; L170-A226 HydrophobicContact CD1-CB 3.71Å; L170-V227 HydrophobicContact CD1-CG2 4.42Å; L170-V227 HydrophobicContact CD2-CG2 4.09Å; L170-E230 HydrophobicContact CB-CB 4.26Å; L170-E230 HydrophobicContact CB-CG 4.18Å; L170-R234 PolarHBondContact O-NH2 2.81Å
171E97.3Very high95.1Very high70 Ų7062.2 Ų62.233%0.32735%0.348SS..Hα-helixtrans-64.1-32.4174.8-75.1-178.8-174.800112.1Q167 H169 L173 E230 R233Q167-E171 HydrophobicContact CG-CG 4.26Å; Q167-E171 VanDerWaalsContact CG-OE1 3.25Å; Q167-E171 WeakPolarHBondContact CG-OE1 3.34Å; Q167-E171 PolarHBondContact NE2-OE1 3.33Å; Q167-E171 WeakPolarHBondContact O-CB 3.24Å; Q167-E171 WeakPolarHBondContact O-CG 3.37Å; Q167-E171 PolarHBondContact O-N 2.92Å; H169-E171 VanDerWaalsContact C-N 3.35Å; H169-E171 PolarHBondContact O-N 3.45Å; E171-L173 VanDerWaalsContact C-N 3.3Å; E171-L173 PolarHBondContact O-N 3.34Å; E171-E230 WeakPolarHBondContact CG-OE2 3.49Å; E171-R233 IonicContact OE1-NE 3.48Å
172S96.7Very high95.4Very high85 Ų8558.2 Ų58.259%0.59433%0.327SS*.Hα-helixtrans-74.2-17.5178.3790000114.1M168 H169 L170M168-S172 WeakPolarHBondContact O-CB 2.88Å; M168-S172 PolarHBondContact O-N 3.13Å; M168-S172 VanDerWaalsContact O-N 3.12Å; H169-S172 WeakPolarHBondContact O-CB 3.08Å; H169-S172 PolarHBondContact O-N 3.14Å; H169-S172 VanDerWaalsContact O-N 3.12Å; H169-S172 PolarHBondContact O-OG 3.36Å; L170-S172 VanDerWaalsContact C-N 3.26Å; L170-S172 PolarHBondContact O-N 2.89Å
173L96.7Very high95.5Very high36 Ų3659.3 Ų59.319%0.18833%0.332CS..SBendtrans-67.3137.8-176.8-67.2175.8000111Y88 H169 L170 E171 I204 R234Y88-L173 HydrophobicContact CD1-CD1 4.37Å; Y88-L173 HydrophobicContact CE1-CD1 3.67Å; Y88-L173 HydrophobicContact CE2-CD1 4.29Å; H169-L173 PolarHBondContact O-N 3.28Å; L170-L173 HydrophobicContact CD2-CD1 3.93Å; L170-L173 WeakPolarHBondContact O-CB 3.49Å; L170-L173 PolarHBondContact O-N 2.98Å; E171-L173 VanDerWaalsContact C-N 3.3Å; E171-L173 PolarHBondContact O-N 3.34Å; L173-I204 HydrophobicContact CB-CG2 3.94Å; L173-I204 HydrophobicContact CD1-CB 4.46Å; L173-I204 HydrophobicContact CD1-CD1 4.11Å; L173-R234 PolarHBondContact O-NH1 3.26Å; L173-R234 PolarHBondContact O-NH2 3.27Å
174P95.4Very high95.6Very high98 Ų9862.2 Ų62.264%0.63634%0.338SS*.PPolyproline II helixtrans-66.8153.1175.229.8-35000110.8L176P174-L176 PolarHBondContact O-N 3.44Å
175S94.4Very high95.6Very high50 Ų5059.9 Ų59.935%0.3532%0.322SS..PPolyproline II helixtrans-60.5133.1169.6-64.70000110.5G202 R234S175-G202 PolarHBondContact OG-O 2.92Å; S175-R234 PolarHBondContact OG-NH1 3.17Å; S175-R234 VanDerWaalsContact OG-NH1 3.16Å
176L93Very high95.6Very high60 Ų6062 Ų6231%0.31434%0.341SS..BIsolated β-bridgetrans-89.2146170.4-59.3177000109.5P174 G202 G203 S212P174-L176 PolarHBondContact O-N 3.44Å; L176-G202 PolarHBondContact O-N 3.41Å; L176-G203 WeakPolarHBondContact CB-O 3.41Å; L176-G203 PolarHBondContact N-O 2.71Å; L176-S212 WeakPolarHBondContact O-CB 3.12Å; L176-S212 PolarHBondContact O-OG 2.98Å
177K89Confident95.5Very high109 Ų10964 Ų6447%0.47435%0.351SS..SBendtrans50.672174-60.7-175.7179.9177.30113.9T201 S211K177-T201 WeakPolarHBondContact O-CA 3.45Å; K177-T201 WeakPolarHBondContact O-CB 3.38Å; K177-T201 WeakPolarHBondContact O-CG2 3.32Å; K177-S211 VanDerWaalsContact CE-OG 3.25Å; K177-S211 WeakPolarHBondContact CE-OG 3.17Å
178G90.6Very high95.5Very high51 Ų5159.3 Ų59.353%0.52633%0.33SS..SBendtrans69-169.1173.100000113.7G202G178-G202 VanDerWaalsContact O-CA 3.3Å; G178-G202 WeakPolarHBondContact O-CA 3.43Å; G178-G202 PolarHBondContact O-N 3.29Å
179E93.6Very high95.5Very high144 Ų14455.4 Ų55.467%0.67331%0.313SS*.  trans-89.2156.9-176.7-64.2-57.2145.300112.7T181 T201E179-T181 PolarHBondContact O-N 2.93Å; E179-T181 PolarHBondContact O-OG1 3.4Å; E179-T201 VanDerWaalsContact O-CB 3.3Å; E179-T201 WeakPolarHBondContact O-CB 3.39Å; E179-T201 PolarHBondContact O-OG1 2.97Å
180L94.8Very high95.5Very high23 Ų2357.6 Ų57.612%0.1233%0.326CS..  trans-64.8122.4174.3-165.4154.9000108.9I182 R234 L235 T238L180-I182 HydrophobicContact CD2-CD1 3.93Å; L180-I182 HydrophobicContact CD2-CG1 3.56Å; L180-R234 HydrophobicContact CD1-CB 4.21Å; L180-L235 HydrophobicContact CD1-CB 4.12Å; L180-L235 HydrophobicContact CD1-CD1 4.47Å; L180-L235 HydrophobicContact CD2-CD1 3.97Å; L180-T238 HydrophobicContact CD2-CG2 3.97Å
181T95.6Very high95.4Very high65 Ų6563.5 Ų63.540%0.39936%0.357SS..  trans-117.1130.2-179.3-55.80000110.2E179 L183 T199E179-T181 PolarHBondContact O-N 2.93Å; E179-T181 PolarHBondContact O-OG1 3.4Å; T181-L183 HydrophobicContact CG2-CD2 4.33Å; T181-T199 WeakPolarHBondContact CB-OG1 3.49Å; T181-T199 HydrophobicContact CG2-CG2 4.12Å; T181-T199 PolarHBondContact O-N 3Å; T181-T199 VanDerWaalsContact O-N 3.13Å; T181-T199 PolarHBondContact O-OG1 3.24Å
182I97.5Very high95.4Very high30 Ų3061.8 Ų61.815%0.15435%0.35CS..EExtended strand (participates in β ladder)trans-116.7117.2177.2-56.8172.8000107.8L180 R184 L235 T238 A239 F433L180-I182 HydrophobicContact CD2-CD1 3.93Å; L180-I182 HydrophobicContact CD2-CG1 3.56Å; I182-R184 HydrophobicContact CG2-CG 4.16Å; I182-L235 HydrophobicContact CD1-CD1 3.91Å; I182-L235 HydrophobicContact CG1-CD1 4.14Å; I182-T238 HydrophobicContact CD1-CG2 3.98Å; I182-A239 HydrophobicContact CD1-CB 3.81Å; I182-F433 HydrophobicContact CD1-CZ 4.21Å; I182-F433 HydrophobicContact CG2-CE1 4.03Å; I182-F433 HydrophobicContact CG2-CZ 3.97Å
183L97.3Very high95.5Very high28 Ų2857.7 Ų57.715%0.14732%0.322CS..EExtended strand (participates in β ladder)trans-81.4125.1173.2-55.7-178.7000109.2T181 G196 F197 P339 I406 F408 F417T181-L183 HydrophobicContact CG2-CD2 4.33Å; L183-G196 CarbonylContact O-C 3.6Å; L183-G196 WeakPolarHBondContact O-CA 3.47Å; L183-F197 HydrophobicContact CB-CB 4.38Å; L183-F197 PolarHBondContact N-O 2.82Å; L183-F197 PolarHBondContact O-N 2.62Å; L183-P339 HydrophobicContact CD1-CG 3.99Å; L183-I406 HydrophobicContact CB-CB 4.12Å; L183-I406 HydrophobicContact CB-CG2 3.99Å; L183-I406 HydrophobicContact CD1-CB 4.45Å; L183-F408 HydrophobicContact CD1-CD2 3.78Å; L183-F408 HydrophobicContact CD1-CE2 3.88Å; L183-F417 HydrophobicContact CD1-CE1 4.14Å; L183-F417 HydrophobicContact CD1-CZ 3.73Å
184R96.3Very high95.6Very high109 Ų10957.5 Ų57.541%0.41132%0.32SS..  trans-117141.2178.9-64.8-171.1178.7156.14110.7I182 H195I182-R184 HydrophobicContact CG2-CG 4.16Å; R184-H195 PolarHBondContact NE-O 3.41Å
185S96.4Very high95.7Very high3 Ų352.9 Ų52.92%0.02129%0.29CS..  trans-89.2136.2171.5157.30000109.5L187 H195 Q395S185-L187 PolarHBondContact O-N 3.11Å; S185-L187 WeakPolarHBondContact OG-CB 3.41Å; S185-L187 PolarHBondContact OG-N 3.24Å; S185-H195 PolarHBondContact N-NE2 3.19Å; S185-H195 PolarHBondContact O-CE1 3.19Å; S185-H195 PolarHBondContact O-NE2 2.92Å; S185-Q395 VanDerWaalsContact CB-OE1 3.31Å; S185-Q395 PolarHBondContact OG-OE1 3.09Å
186S94.5Very high95.9Very high88 Ų8850.5 Ų50.562%0.61527%0.274SS*.SBendtrans-73.1-11.8170.249.30000113.6
187L96.4Very high96.2Very high46 Ų4647.7 Ų47.724%0.24126%0.259CS..SBendtrans-71.1-39.1178.2-174.364.5000111.2S185 L334 V336 N393 Q395S185-L187 PolarHBondContact O-N 3.11Å; S185-L187 WeakPolarHBondContact OG-CB 3.41Å; S185-L187 PolarHBondContact OG-N 3.24Å; L187-L334 HydrophobicContact CD1-CD2 4.22Å; L187-L334 HydrophobicContact CD2-CB 4.47Å; L187-L334 HydrophobicContact CG-CB 4.39Å; L187-L334 HydrophobicContact CG-CD2 4.29Å; L187-L334 VanDerWaalsContact O-CD1 3.3Å; L187-L334 WeakPolarHBondContact O-CD1 3.49Å; L187-V336 HydrophobicContact CB-CG2 4.45Å; L187-V336 HydrophobicContact CD2-CG2 4.22Å; L187-N393 WeakPolarHBondContact CD2-O 3.38Å; L187-Q395 HydrophobicContact CD2-CB 3.88Å
188I97.9Very high96.6Very high1 Ų142.6 Ų42.61%0.00524%0.237CC..SBendtrans-83.7124.7179.4-65172.9000109D190 F193 L291 A293 V336 I434I188-D190 PolarHBondContact O-N 2.98Å; I188-F193 HydrophobicContact CG2-CB 3.74Å; I188-F193 HydrophobicContact CG2-CD2 3.88Å; I188-F193 HydrophobicContact CG2-CG 4.05Å; I188-L291 HydrophobicContact CD1-CB 4.37Å; I188-A293 HydrophobicContact CD1-CB 4.49Å; I188-A293 HydrophobicContact CG1-CB 4.24Å; I188-A293 HydrophobicContact CG2-CB 4.24Å; I188-V336 HydrophobicContact CD1-CB 4.22Å; I188-V336 HydrophobicContact CD1-CG2 3.56Å; I188-V336 HydrophobicContact CG1-CG2 3.75Å; I188-I434 HydrophobicContact CD1-CD1 4.18Å; I188-I434 HydrophobicContact CG2-CD1 4.43Å
189P97.4Very high97Very high32 Ų3240.4 Ų40.421%0.20821%0.213CC..  trans-71.7112.6-175.924.7-30.3000112.1D191 I192 F193 P295P189-D191 WeakPolarHBondContact CB-OD1 3.35Å; P189-D191 PolarHBondContact O-N 3.42Å; P189-I192 HydrophobicContact CB-CD1 4.47Å; P189-I192 HydrophobicContact CG-CB 4.4Å; P189-I192 HydrophobicContact CG-CD1 4.09Å; P189-I192 HydrophobicContact CG-CG1 4.47Å; P189-I192 PolarHBondContact O-N 3.24Å; P189-I192 VanDerWaalsContact O-N 3.09Å; P189-F193 HydrophobicContact CG-CD2 4Å; P189-F193 HydrophobicContact CG-CE2 4.16Å; P189-F193 PolarHBondContact O-N 3.43Å; P189-P295 HydrophobicContact CG-CB 3.94Å
190D96.1Very high97.1Very high76 Ų7634.4 Ų34.441%0.40619%0.185SC..THydrogen-bonded Turntrans-64.6-18-178.4-81.7-14.6000113.5I188 I192 H195 K437I188-D190 PolarHBondContact O-N 2.98Å; D190-I192 VanDerWaalsContact C-N 3.3Å; D190-H195 IonicContact OD1-CE1 2.83Å; D190-H195 PolarHBondContact OD1-CE1 2.87Å; D190-H195 IonicContact OD1-ND1 2.99Å; D190-K437 WeakPolarHBondContact O-CE 3.5Å; D190-K437 PolarHBondContact O-NZ 3.02Å
191D96.3Very high97.2Very high129 Ų12934.5 Ų34.569%0.6919%0.186SC*.THydrogen-bonded Turntrans-75.4-20.7174.763-53.6000112.7P189P189-D191 WeakPolarHBondContact CB-OD1 3.35Å; P189-D191 PolarHBondContact O-N 3.42Å
192I98Very high97.3Very high34 Ų3431.4 Ų31.417%0.17417%0.167CC..THydrogen-bonded Turntrans-105.8-39.8-179.6-55.7177.1000111.3P189 D190 P295 K298 K437P189-I192 HydrophobicContact CB-CD1 4.47Å; P189-I192 HydrophobicContact CG-CB 4.4Å; P189-I192 HydrophobicContact CG-CD1 4.09Å; P189-I192 HydrophobicContact CG-CG1 4.47Å; P189-I192 PolarHBondContact O-N 3.24Å; P189-I192 VanDerWaalsContact O-N 3.09Å; D190-I192 VanDerWaalsContact C-N 3.3Å; I192-P295 HydrophobicContact CD1-CB 3.77Å; I192-K298 HydrophobicContact CG2-CG 4.36Å; I192-K437 WeakPolarHBondContact O-CB 3.33Å; I192-K437 PolarHBondContact O-N 3.12Å
193F98.6Very high97.3Very high0 Ų030 Ų300%016%0.16CC..EExtended strand (participates in β ladder)trans-118.1152-172.6-58.6-82000112.2I188 P189 A293 P295 C300 I434 S435 I436 K437I188-F193 HydrophobicContact CG2-CB 3.74Å; I188-F193 HydrophobicContact CG2-CD2 3.88Å; I188-F193 HydrophobicContact CG2-CG 4.05Å; P189-F193 HydrophobicContact CG-CD2 4Å; P189-F193 HydrophobicContact CG-CE2 4.16Å; P189-F193 PolarHBondContact O-N 3.43Å; F193-A293 HydrophobicContact CD2-CB 4.15Å; F193-A293 HydrophobicContact CE1-CB 4.27Å; F193-A293 HydrophobicContact CE2-CB 3.84Å; F193-A293 HydrophobicContact CZ-CB 3.91Å; F193-P295 HydrophobicContact CE2-CB 4.18Å; F193-C300 HydrophobicContact CD1-CB 4.28Å; F193-C300 HydrophobicContact CE1-CB 3.99Å; F193-I434 HydrophobicContact CB-CD1 4.44Å; F193-I434 HydrophobicContact CB-CG1 4.41Å; F193-I434 HydrophobicContact CD1-CD1 4.15Å; F193-I434 HydrophobicContact CD1-CG1 4.23Å; F193-I434 HydrophobicContact CG-CD1 4.37Å; F193-S435 CarbonylContact C-O 3.46Å; F193-S435 VanDerWaalsContact CA-O 3.27Å; F193-S435 WeakPolarHBondContact CA-O 3.38Å; F193-I436 HydrophobicContact CD1-CG1 3.99Å; F193-I436 HydrophobicContact CE1-CG1 3.71Å; F193-K437 WeakPolarHBondContact O-CE 3.33Å
194L98.2Very high97.3Very high31 Ų3128.8 Ų28.816%0.16215%0.154CC..EExtended strand (participates in β ladder)trans-107.9122.5158.7-63.8160.9000107.2G240 I434 S435 K437L194-G240 WeakPolarHBondContact CD1-O 3.33Å; L194-I434 CarbonylContact O-C 3.51Å; L194-I434 VanDerWaalsContact O-CA 3.27Å; L194-I434 WeakPolarHBondContact O-CA 3.38Å; L194-S435 WeakPolarHBondContact CB-OG 3.49Å; L194-S435 PolarHBondContact N-O 2.76Å; L194-S435 PolarHBondContact O-N 2.96Å; L194-K437 HydrophobicContact CD1-CG 4.18Å; L194-K437 HydrophobicContact CD2-CD 4.45Å; L194-K437 HydrophobicContact CD2-CG 4.44Å; L194-K437 HydrophobicContact CG-CD 4.27Å; L194-K437 VanDerWaalsContact CG-CE 3.45Å; L194-K437 HydrophobicContact CG-CG 3.76Å
195H98.6Very high97.4Very high1 Ų123.6 Ų23.61%0.00513%0.134CC..EExtended strand (participates in β ladder)trans-142.4171.9177.668.2-64.7000112.4R184 S185 D190 L291 F433 I434R184-H195 PolarHBondContact NE-O 3.41Å; S185-H195 PolarHBondContact N-NE2 3.19Å; S185-H195 PolarHBondContact O-CE1 3.19Å; S185-H195 PolarHBondContact O-NE2 2.92Å; D190-H195 IonicContact OD1-CE1 2.83Å; D190-H195 PolarHBondContact OD1-CE1 2.87Å; D190-H195 IonicContact OD1-ND1 2.99Å; H195-L291 HydrophobicContact CB-CD1 4.18Å; H195-F433 CarbonylContact C-O 3.58Å; H195-F433 WeakPolarHBondContact CA-O 3.3Å; H195-F433 WeakPolarHBondContact CB-O 3.32Å; H195-I434 HydrophobicContact CB-CB 4.16Å; H195-I434 HydrophobicContact CB-CD1 4.3Å; H195-I434 HydrophobicContact CB-CG1 4.05Å
196G98.3Very high97.4Very high0 Ų025.3 Ų25.30%014%0.141CC..EExtended strand (participates in β ladder)trans163.5178.1160.700000113.1L183 G432 F433L183-G196 CarbonylContact O-C 3.6Å; L183-G196 WeakPolarHBondContact O-CA 3.47Å; G196-G432 CarbonylContact O-C 3.47Å; G196-G432 WeakPolarHBondContact O-CA 3.44Å; G196-F433 PolarHBondContact N-O 3.26Å; G196-F433 VanDerWaalsContact O-CD1 3.31Å; G196-F433 WeakPolarHBondContact O-CD1 3.35Å; G196-F433 PolarHBondContact O-N 2.92Å
197F98.6Very high97.4Very high2 Ų221.7 Ų21.71%0.00911%0.114CC..EExtended strand (participates in β ladder)trans-118127.5174.8-56-85.7000109.5L183 P289 L291 V336 P339 I406 I431 G432L183-F197 HydrophobicContact CB-CB 4.38Å; L183-F197 PolarHBondContact N-O 2.82Å; L183-F197 PolarHBondContact O-N 2.62Å; F197-P289 HydrophobicContact CD1-CB 4.21Å; F197-P289 HydrophobicContact CD1-CG 3.77Å; F197-P289 HydrophobicContact CE1-CB 4.03Å; F197-P289 HydrophobicContact CE1-CG 3.87Å; F197-P289 WeakPolarHBondContact CE1-O 3.39Å; F197-L291 HydrophobicContact CE1-CD1 3.84Å; F197-L291 HydrophobicContact CE1-CG 3.8Å; F197-L291 HydrophobicContact CE2-CD1 3.96Å; F197-L291 HydrophobicContact CZ-CB 4.34Å; F197-L291 HydrophobicContact CZ-CD1 3.52Å; F197-L291 HydrophobicContact CZ-CG 3.64Å; F197-V336 HydrophobicContact CE2-CG1 3.66Å; F197-V336 HydrophobicContact CZ-CB 4.44Å; F197-V336 HydrophobicContact CZ-CG1 3.94Å; F197-P339 HydrophobicContact CB-CG 4.18Å; F197-I406 HydrophobicContact CD2-CD1 3.84Å; F197-I406 HydrophobicContact CE2-CD1 3.68Å; F197-I431 WeakPolarHBondContact CA-O 3.43Å; F197-G432 VanDerWaalsContact CD1-CA 3.43Å
198T98.3Very high97.1Very high1 Ų124.5 Ų24.51%0.00614%0.135CC..EExtended strand (participates in β ladder)trans-79.9148.1-177.767.60000111.6L215 L235 Q430 I431 F433T198-L215 HydrophobicContact CG2-CD1 4.04Å; T198-L235 HydrophobicContact CG2-CD1 3.48Å; T198-L235 VanDerWaalsContact CG2-CD1 3.48Å; T198-L235 HydrophobicContact CG2-CD2 3.66Å; T198-L235 HydrophobicContact CG2-CG 4.22Å; T198-Q430 WeakPolarHBondContact O-CB 3.27Å; T198-Q430 WeakPolarHBondContact OG1-CB 3.32Å; T198-I431 HydrophobicContact CG2-CG1 3.99Å; T198-I431 PolarHBondContact N-O 3.36Å; T198-I431 PolarHBondContact OG1-N 2.85Å; T198-I431 PolarHBondContact OG1-O 3.34Å; T198-F433 HydrophobicContact CG2-CD1 4.34Å; T198-F433 HydrophobicContact CG2-CE1 4.17Å
199T97.3Very high96.9Very high6 Ų626.4 Ų26.44%0.03715%0.147CC..  trans-88.4178.516161.60000110.3T181 T201 K416 F417T181-T199 WeakPolarHBondContact CB-OG1 3.49Å; T181-T199 HydrophobicContact CG2-CG2 4.12Å; T181-T199 PolarHBondContact O-N 3Å; T181-T199 VanDerWaalsContact O-N 3.13Å; T181-T199 PolarHBondContact O-OG1 3.24Å; T199-T201 VanDerWaalsContact C-N 3.31Å; T199-T201 PolarHBondContact OG1-OG1 3.43Å; T199-K416 CarbonylContact C-O 3.57Å; T199-K416 WeakPolarHBondContact CA-O 3.41Å; T199-K416 WeakPolarHBondContact CB-O 3.26Å; T199-K416 HydrophobicContact CG2-CB 4.43Å; T199-F417 HydrophobicContact CG2-CE1 4.07Å; T199-F417 HydrophobicContact CG2-CZ 4.47Å
200R97.3Very high96.8Very high18 Ų1824.9 Ų24.97%0.06814%0.137CC..SBendtrans-82.10.217674.1-179.1-61170.83114.7P208 S211 S212 C213 P414 K416 Y418R200-P208 PolarHBondContact NH2-O 3.29Å; R200-S211 PolarHBondContact NE-O 2.69Å; R200-S211 PolarHBondContact NH2-O 3.17Å; R200-S212 WeakPolarHBondContact O-CA 3.44Å; R200-S212 PolarHBondContact O-N 3.3Å; R200-S212 PolarHBondContact O-OG 2.93Å; R200-C213 PolarHBondContact O-N 3.02Å; R200-P414 WeakPolarHBondContact CD-O 3.19Å; R200-P414 PolarHBondContact NH1-O 3.43Å; R200-K416 PolarHBondContact N-O 2.79Å; R200-Y418 HydrophobicContact CB-CD1 4.23Å; R200-Y418 HydrophobicContact CB-CD2 3.82Å; R200-Y418 HydrophobicContact CB-CE1 3.9Å; R200-Y418 HydrophobicContact CB-CE2 3.42Å; R200-Y418 VanDerWaalsContact CB-CE2 3.42Å; R200-Y418 HydrophobicContact CB-CG 4.21Å; R200-Y418 VanDerWaalsContact CB-CZ 3.48Å
201T96.8Very high96.8Very high24 Ų2421.5 Ų21.515%0.14712%0.119CC..  trans-94.8157.4-171.154.60000111.9K177 E179 T199 S212 C213K177-T201 WeakPolarHBondContact O-CA 3.45Å; K177-T201 WeakPolarHBondContact O-CB 3.38Å; K177-T201 WeakPolarHBondContact O-CG2 3.32Å; E179-T201 VanDerWaalsContact O-CB 3.3Å; E179-T201 WeakPolarHBondContact O-CB 3.39Å; E179-T201 PolarHBondContact O-OG1 2.97Å; T199-T201 VanDerWaalsContact C-N 3.31Å; T199-T201 PolarHBondContact OG1-OG1 3.43Å; T201-S212 WeakPolarHBondContact CA-OG 3.42Å; T201-C213 VanDerWaalsContact O-CB 3.25Å; T201-C213 WeakPolarHBondContact O-CB 3.43Å
202G96.1Very high96.8Very high1 Ų115.3 Ų15.31%0.019%0.086CC..SBendtrans84.112.7170.900000116.9S175 L176 G178 S212S175-G202 PolarHBondContact OG-O 2.92Å; L176-G202 PolarHBondContact O-N 3.41Å; G178-G202 VanDerWaalsContact O-CA 3.3Å; G178-G202 WeakPolarHBondContact O-CA 3.43Å; G178-G202 PolarHBondContact O-N 3.29Å; G202-S212 PolarHBondContact N-OG 2.63Å; G202-S212 VanDerWaalsContact N-OG 3.09Å
203G97.8Very high96.8Very high0 Ų013.7 Ų13.70%08%0.078CC..BIsolated β-bridgetrans-108-171.3175.600000113.4L176 S212 N231L176-G203 WeakPolarHBondContact CB-O 3.41Å; L176-G203 PolarHBondContact N-O 2.71Å; G203-S212 CarbonylContact C-O 3.56Å; G203-S212 WeakPolarHBondContact CA-O 3.41Å; G203-S212 PolarHBondContact N-OG 3.14Å; G203-N231 WeakPolarHBondContact CA-OD1 3.25Å
204I98.1Very high96.8Very high2 Ų213.7 Ų13.71%0.018%0.078CC..  trans-115.8-0.9-17658.2152.5000114.3Y88 L170 L173 Y206 S212 V227 E230 N231Y88-I204 PolarHBondContact OH-O 2.89Å; L170-I204 HydrophobicContact CB-CD1 4.07Å; L170-I204 HydrophobicContact CD2-CD1 4Å; L170-I204 HydrophobicContact CG-CD1 4.49Å; L173-I204 HydrophobicContact CB-CG2 3.94Å; L173-I204 HydrophobicContact CD1-CB 4.46Å; L173-I204 HydrophobicContact CD1-CD1 4.11Å; I204-Y206 PolarHBondContact O-N 3.35Å; I204-Y206 VanDerWaalsContact O-N 3.17Å; I204-S212 PolarHBondContact N-O 3.42Å; I204-V227 HydrophobicContact CD1-CB 4.41Å; I204-V227 HydrophobicContact CD1-CG1 4.11Å; I204-V227 HydrophobicContact CD1-CG2 4.24Å; I204-V227 HydrophobicContact CG1-CG1 4Å; I204-E230 HydrophobicContact CD1-CB 3.88Å; I204-E230 HydrophobicContact CD1-CG 3.57Å; I204-E230 HydrophobicContact CG1-CB 4.46Å; I204-E230 HydrophobicContact CG1-CG 4.03Å; I204-N231 WeakPolarHBondContact CG1-OD1 3.41Å; I204-N231 PolarHBondContact N-OD1 2.99Å
205S97.9Very high96.8Very high0 Ų012.6 Ų12.60%07%0.072CC..  trans-64.7119.1175.7-56.50000109.6S211 S212 D223 V227 N231S205-S211 WeakPolarHBondContact O-CA 3.46Å; S205-S211 WeakPolarHBondContact O-CB 3.41Å; S205-S211 PolarHBondContact O-OG 3.16Å; S205-S211 VanDerWaalsContact O-OG 3.13Å; S205-S212 VanDerWaalsContact CB-O 3.28Å; S205-S212 WeakPolarHBondContact CB-O 3.5Å; S205-S212 PolarHBondContact N-O 2.84Å; S205-S212 PolarHBondContact OG-O 3.18Å; S205-D223 WeakPolarHBondContact CB-OD2 3.26Å; S205-D223 PolarHBondContact OG-OD1 2.94Å; S205-D223 PolarHBondContact OG-OD2 3.47Å; S205-V227 WeakPolarHBondContact OG-CG1 3.48Å; S205-N231 PolarHBondContact OG-ND2 3.25Å
206Y96.1Very high96.6Very high40 Ų4015.6 Ų15.616%0.1579%0.085CC..  trans-93.7-21.6-175.660.3-96.4000113.7Y88 K91 E92 D95 I204Y88-Y206 HydrophobicContact CE1-CD1 4.29Å; Y88-Y206 HydrophobicContact CE1-CE1 4.25Å; Y88-Y206 HydrophobicContact CE2-CE1 4.14Å; Y88-Y206 AromaticContact CZ-CD1 3.85Å; Y88-Y206 AromaticContact CZ-CE1 3.76Å; Y88-Y206 WeakPolarHBondContact OH-CD1 3.33Å; K91-Y206 WeakPolarHBondContact CD-OH 3.46Å; K91-Y206 WeakPolarHBondContact CG-OH 3.42Å; K91-Y206 PolarHBondContact NZ-OH 2.9Å; E92-Y206 HydrophobicContact CB-CE2 4.23Å; E92-Y206 HydrophobicContact CG-CD1 3.81Å; E92-Y206 HydrophobicContact CG-CD2 4.04Å; E92-Y206 HydrophobicContact CG-CE1 3.53Å; E92-Y206 HydrophobicContact CG-CE2 3.8Å; E92-Y206 HydrophobicContact CG-CG 4.05Å; D95-Y206 HydrophobicContact CB-CE2 3.98Å; D95-Y206 WeakPolarHBondContact OD2-CE2 3.3Å; D95-Y206 PolarHBondContact OD2-OH 3.47Å; I204-Y206 PolarHBondContact O-N 3.35Å; I204-Y206 VanDerWaalsContact O-N 3.17Å
207I94.3Very high96.4Very high11 Ų1117 Ų176%0.05610%0.095CC..SBendtrans-57.9124.8-179.1-65156.3000109T209 L210 S211 R222 D223I207-T209 VanDerWaalsContact C-N 3.3Å; I207-T209 PolarHBondContact O-N 2.88Å; I207-L210 HydrophobicContact CB-CB 4.12Å; I207-L210 HydrophobicContact CB-CD1 4.1Å; I207-L210 HydrophobicContact CB-CG 4.13Å; I207-L210 HydrophobicContact CD1-CD1 3.88Å; I207-L210 HydrophobicContact CG2-CB 4.37Å; I207-L210 HydrophobicContact CG2-CD1 3.96Å; I207-L210 HydrophobicContact CG2-CG 3.89Å; I207-L210 CarbonylContact O-C 3.52Å; I207-L210 WeakPolarHBondContact O-CA 3.45Å; I207-L210 PolarHBondContact O-N 3.41Å; I207-S211 WeakPolarHBondContact O-CB 3.1Å; I207-S211 PolarHBondContact O-N 2.67Å; I207-R222 VanDerWaalsContact CD1-C 3.47Å; I207-R222 HydrophobicContact CD1-CB 3.47Å; I207-R222 VanDerWaalsContact CD1-CB 3.47Å; I207-R222 HydrophobicContact CG1-CB 4.49Å; I207-D223 HydrophobicContact CD1-CB 4.02Å
208P91.9Very high96.1Very high105 Ų10518.5 Ų18.568%0.68211%0.106SC*.THydrogen-bonded Turntrans-51.7-41.9-165.9-32.635.7000115.7R200 L210R200-P208 PolarHBondContact NH2-O 3.29Å; P208-L210 VanDerWaalsContact C-N 3.34Å
209T92.5Very high95.7Very high41 Ų4122.1 Ų22.125%0.25213%0.131SC..THydrogen-bonded Turntrans-77.3-19.4179.556.80000114.2I207 Y418 N426 G428I207-T209 VanDerWaalsContact C-N 3.3Å; I207-T209 PolarHBondContact O-N 2.88Å; T209-Y418 WeakPolarHBondContact O-CD1 3.21Å; T209-N426 WeakPolarHBondContact CB-O 3.19Å; T209-N426 WeakPolarHBondContact CG2-O 3.41Å; T209-N426 PolarHBondContact OG1-ND2 3.16Å; T209-N426 PolarHBondContact OG1-O 3.38Å; T209-N426 VanDerWaalsContact OG1-O 3.14Å; T209-G428 PolarHBondContact O-N 2.86Å
210L95.6Very high95.4Very high0 Ų030.7 Ų30.70%017%0.168CC..THydrogen-bonded Turntrans-104.4-9.7179.8-47-178.7000111.2I207 P208 N214 D223 Y418 F427 G428I207-L210 HydrophobicContact CB-CB 4.12Å; I207-L210 HydrophobicContact CB-CD1 4.1Å; I207-L210 HydrophobicContact CB-CG 4.13Å; I207-L210 HydrophobicContact CD1-CD1 3.88Å; I207-L210 HydrophobicContact CG2-CB 4.37Å; I207-L210 HydrophobicContact CG2-CD1 3.96Å; I207-L210 HydrophobicContact CG2-CG 3.89Å; I207-L210 CarbonylContact O-C 3.52Å; I207-L210 WeakPolarHBondContact O-CA 3.45Å; I207-L210 PolarHBondContact O-N 3.41Å; P208-L210 VanDerWaalsContact C-N 3.34Å; L210-N214 HydrophobicContact CB-CB 4.39Å; L210-N214 WeakPolarHBondContact O-CB 3.47Å; L210-D223 HydrophobicContact CD1-CB 3.46Å; L210-D223 VanDerWaalsContact CD1-CB 3.46Å; L210-Y418 WeakPolarHBondContact O-CE1 3.33Å; L210-Y418 VanDerWaalsContact O-CZ 3.27Å; L210-Y418 PolarHBondContact O-OH 3.19Å; L210-F427 VanDerWaalsContact CD2-O 3.3Å; L210-F427 WeakPolarHBondContact CD2-O 3.43Å; L210-G428 VanDerWaalsContact CD2-N 3.29Å
211S95.9Very high95.2Very high5 Ų531.1 Ų31.14%0.03517%0.17CC..  trans-73.8130.8-176.3178.50000112K177 R200 S205 I207 Y418K177-S211 VanDerWaalsContact CE-OG 3.25Å; K177-S211 WeakPolarHBondContact CE-OG 3.17Å; R200-S211 PolarHBondContact NE-O 2.69Å; R200-S211 PolarHBondContact NH2-O 3.17Å; S205-S211 WeakPolarHBondContact O-CA 3.46Å; S205-S211 WeakPolarHBondContact O-CB 3.41Å; S205-S211 PolarHBondContact O-OG 3.16Å; S205-S211 VanDerWaalsContact O-OG 3.13Å; I207-S211 WeakPolarHBondContact O-CB 3.1Å; I207-S211 PolarHBondContact O-N 2.67Å; S211-Y418 WeakPolarHBondContact O-CE1 3.47Å; S211-Y418 PolarHBondContact O-OH 3.37Å
212S96.3Very high95.1Very high0 Ų031.5 Ų31.50%017%0.168CC..SBendcis-119.6-44.810.864.60000115.5L176 R200 T201 G202 G203 I204 S205 N214 N231 Y418L176-S212 WeakPolarHBondContact O-CB 3.12Å; L176-S212 PolarHBondContact O-OG 2.98Å; R200-S212 WeakPolarHBondContact O-CA 3.44Å; R200-S212 PolarHBondContact O-N 3.3Å; R200-S212 PolarHBondContact O-OG 2.93Å; T201-S212 WeakPolarHBondContact CA-OG 3.42Å; G202-S212 PolarHBondContact N-OG 2.63Å; G202-S212 VanDerWaalsContact N-OG 3.09Å; G203-S212 CarbonylContact C-O 3.56Å; G203-S212 WeakPolarHBondContact CA-O 3.41Å; G203-S212 PolarHBondContact N-OG 3.14Å; I204-S212 PolarHBondContact N-O 3.42Å; S205-S212 VanDerWaalsContact CB-O 3.28Å; S205-S212 WeakPolarHBondContact CB-O 3.5Å; S205-S212 PolarHBondContact N-O 2.84Å; S205-S212 PolarHBondContact OG-O 3.18Å; S212-N214 PolarHBondContact O-N 3.42Å; S212-N231 PolarHBondContact O-ND2 2.65Å; S212-Y418 PolarHBondContact N-OH 3.34Å
213C98.3Very high95Very high0 Ų031.5 Ų31.50%017%0.168CC..  trans-94.467.9-179.2-167.40000110.5R200 T201 Y418R200-C213 PolarHBondContact O-N 3.02Å; T201-C213 VanDerWaalsContact O-CB 3.25Å; T201-C213 WeakPolarHBondContact O-CB 3.43Å; C213-Y418 VanDerWaalsContact C-OH 3.25Å; C213-Y418 PolarHBondContact N-OH 3.07Å; C213-Y418 VanDerWaalsContact N-OH 3.15Å
214N98.1Very high95Very high0 Ų031.5 Ų31.50%017%0.168CC..  trans-79.6127.1174.4175.641000110L210 S212 F216 D223 N231 Y418 G428 T429L210-N214 HydrophobicContact CB-CB 4.39Å; L210-N214 WeakPolarHBondContact O-CB 3.47Å; S212-N214 PolarHBondContact O-N 3.42Å; N214-F216 PolarHBondContact ND2-O 2.85Å; N214-F216 PolarHBondContact OD1-N 2.91Å; N214-F216 PolarHBondContact OD1-O 2.74Å; N214-D223 PolarHBondContact ND2-OD2 3.41Å; N214-N231 PolarHBondContact N-ND2 2.84Å; N214-N231 PolarHBondContact O-ND2 3.39Å; N214-Y418 PolarHBondContact N-OH 3.48Å; N214-G428 WeakPolarHBondContact OD1-CA 3.23Å; N214-T429 PolarHBondContact OD1-N 3.03Å
215L97.8Very high94.8Very high8 Ų838.7 Ų38.74%0.04220%0.202CC..  trans-108.416.7-175.9-63.2167.5000112.5T198 V228 N231 L232 L235 R248 T429 I431T198-L215 HydrophobicContact CG2-CD1 4.04Å; L215-V228 VanDerWaalsContact C-CG1 3.41Å; L215-N231 HydrophobicContact CD2-CB 4.04Å; L215-L232 HydrophobicContact CD2-CB 4.3Å; L215-L235 HydrophobicContact CD1-CD2 3.81Å; L215-L235 HydrophobicContact CD2-CD2 4.26Å; L215-R248 PolarHBondContact O-NH1 2.82Å; L215-T429 WeakPolarHBondContact CB-O 3.46Å; L215-T429 PolarHBondContact N-O 2.87Å; L215-I431 HydrophobicContact CB-CG2 4Å; L215-I431 HydrophobicContact CD1-CB 4.32Å; L215-I431 HydrophobicContact CD1-CD1 3.86Å; L215-I431 HydrophobicContact CD1-CG1 3.64Å; L215-I431 HydrophobicContact CD1-CG2 4Å
216F95.6Very high94.8Very high63 Ų6339.5 Ų39.528%0.27621%0.209SC..  trans-142.6129.1177.8-178.1-96.2000113N214 T429N214-F216 PolarHBondContact ND2-O 2.85Å; N214-F216 PolarHBondContact OD1-N 2.91Å; N214-F216 PolarHBondContact OD1-O 2.74Å; F216-T429 HydrophobicContact CB-CG2 4.04Å
217S93.9Very high94.9Very high31 Ų3137.6 Ų37.622%0.21720%0.201CC..  trans-113.3152.1170-1760000110.4D223S217-D223 WeakPolarHBondContact CB-O 3.34Å; S217-D223 PolarHBondContact OG-O 3.03Å
218S91.9Very high95.1Very high32 Ų3237.8 Ų37.822%0.22420%0.202CC..  trans-148.8156.4171.370.30000109.9K220 R221S218-K220 PolarHBondContact O-N 2.66Å; S218-R221 PolarHBondContact O-N 2.68Å
219S90.9Very high95.3Very high78 Ų7838.9 Ų38.955%0.54520%0.197SC..THydrogen-bonded Turntrans-57.3-21177.156.80000114.4
220K91.1Very high95.6Very high185 Ų18537.3 Ų37.380%0.80419%0.186SC*.THydrogen-bonded Turntrans-89.1-4-179.1-59.8179.8-178.1176.20113.9S218S218-K220 PolarHBondContact O-N 2.66Å
221R91.8Very high95.8Very high28 Ų2837.3 Ų37.311%0.10619%0.186CC..SBendtrans-119.6156.5-177-66.1178.7-176.2174.4-1.9110.1T123 S218 F427T123-R221 VanDerWaalsContact CB-O 3.25Å; T123-R221 WeakPolarHBondContact CB-O 3.2Å; T123-R221 VanDerWaalsContact CG2-O 3.23Å; T123-R221 WeakPolarHBondContact CG2-O 3.41Å; T123-R221 PolarHBondContact OG1-O 2.83Å; S218-R221 PolarHBondContact O-N 2.68Å; R221-F427 VanDerWaalsContact CZ-O 3.26Å; R221-F427 PolarHBondContact NH1-O 3.34Å
222R94.6Very high95.9Very high32 Ų3238.5 Ų38.512%0.12119%0.192CC..SBendtrans-81.4-13.3-177-72.5173.5174.4-80.4-1.3114.1K91 D95 D98 L99 V125 Y126 I207 P224K91-R222 WeakPolarHBondContact CE-O 3.47Å; K91-R222 PolarHBondContact NZ-O 2.86Å; D95-R222 WeakPolarHBondContact OD1-CD 3.34Å; D95-R222 IonicContact OD1-CZ 3.52Å; D95-R222 IonicContact OD1-NE 3.23Å; D95-R222 IonicContact OD1-NH1 2.79Å; D95-R222 PolarHBondContact OD1-NH1 3.36Å; D98-R222 PolarHBondContact O-NH2 2.87Å; D98-R222 IonicContact OD1-CZ 3.31Å; D98-R222 IonicContact OD1-NE 2.73Å; D98-R222 PolarHBondContact OD1-NE 2.75Å; D98-R222 IonicContact OD1-NH2 2.86Å; D98-R222 PolarHBondContact OD1-NH2 3.08Å; L99-R222 PolarHBondContact O-NH1 3.39Å; L99-R222 PolarHBondContact O-NH2 2.89Å; V125-R222 HydrophobicContact CB-CG 4.33Å; V125-R222 HydrophobicContact CG1-CG 3.88Å; V125-R222 HydrophobicContact CG2-CG 4.44Å; Y126-R222 VanDerWaalsContact CE1-NH1 3.32Å; Y126-R222 HydrophobicContact CE2-CG 4.47Å; I207-R222 VanDerWaalsContact CD1-C 3.47Å; I207-R222 HydrophobicContact CD1-CB 3.47Å; I207-R222 VanDerWaalsContact CD1-CB 3.47Å; I207-R222 HydrophobicContact CG1-CB 4.49Å; R222-P224 WeakPolarHBondContact O-CD 3.48Å
223D95.5Very high96Very high0 Ų042.5 Ų42.50%021%0.207CC..SBendtrans-82.1115.4-179.2-159.625.1000110.9S205 I207 L210 N214 S217 V227S205-D223 WeakPolarHBondContact CB-OD2 3.26Å; S205-D223 PolarHBondContact OG-OD1 2.94Å; S205-D223 PolarHBondContact OG-OD2 3.47Å; I207-D223 HydrophobicContact CD1-CB 4.02Å; L210-D223 HydrophobicContact CD1-CB 3.46Å; L210-D223 VanDerWaalsContact CD1-CB 3.46Å; N214-D223 PolarHBondContact ND2-OD2 3.41Å; S217-D223 WeakPolarHBondContact CB-O 3.34Å; S217-D223 PolarHBondContact OG-O 3.03Å; D223-V227 WeakPolarHBondContact OD1-CG1 3.5Å
224P96.4Very high96Very high1 Ų143.7 Ų43.71%0.00621%0.212CC..  trans-77.7161.8-170.633.6-38.1000112.6H120 L121 T123 R222 A226 V227 V228H120-P224 WeakPolarHBondContact O-CB 3.29Å; L121-P224 WeakPolarHBondContact O-CB 3.28Å; L121-P224 VanDerWaalsContact O-CG 3.3Å; L121-P224 WeakPolarHBondContact O-CG 3.1Å; T123-P224 HydrophobicContact CG2-CB 4.26Å; R222-P224 WeakPolarHBondContact O-CD 3.48Å; P224-A226 VanDerWaalsContact C-N 3.27Å; P224-A226 PolarHBondContact O-N 2.85Å; P224-V227 HydrophobicContact CG-CB 3.9Å; P224-V227 HydrophobicContact CG-CG2 3.6Å; P224-V227 PolarHBondContact O-N 2.91Å; P224-V228 PolarHBondContact O-N 2.78Å
225Q94.9Very high96Very high153 Ų15343.7 Ų43.772%0.71521%0.212SC*.Hα-helixtrans-61.4-35.4-180-173.8175.34.100112.2V227 V228 K229Q225-V227 PolarHBondContact O-N 3.25Å; Q225-V228 PolarHBondContact O-N 3.34Å; Q225-K229 WeakPolarHBondContact O-CB 3.45Å; Q225-K229 PolarHBondContact O-N 2.77Å
226A97.3Very high96Very high17 Ų1743.5 Ų43.514%0.1421%0.211CC..Hα-helixtrans-62.3-41.8178.800000112.5H120 I166 L170 P224 K229 E230H120-A226 HydrophobicContact CB-CB 4.46Å; H120-A226 VanDerWaalsContact O-CB 3.24Å; H120-A226 WeakPolarHBondContact O-CB 3.41Å; I166-A226 HydrophobicContact CG2-CB 4.22Å; L170-A226 HydrophobicContact CD1-CB 3.71Å; P224-A226 VanDerWaalsContact C-N 3.27Å; P224-A226 PolarHBondContact O-N 2.85Å; A226-K229 PolarHBondContact O-N 2.7Å; A226-E230 PolarHBondContact O-N 2.93Å
227V98.2Very high96.1Very high0 Ų044.9 Ų44.90%023%0.229CC..Hα-helixtrans-65.5-44.9176.5165.10000111.4Y88 L170 I204 S205 D223 P224 Q225 K229 E230 N231Y88-V227 HydrophobicContact CE2-CG2 3.86Å; L170-V227 HydrophobicContact CD1-CG2 4.42Å; L170-V227 HydrophobicContact CD2-CG2 4.09Å; I204-V227 HydrophobicContact CD1-CB 4.41Å; I204-V227 HydrophobicContact CD1-CG1 4.11Å; I204-V227 HydrophobicContact CD1-CG2 4.24Å; I204-V227 HydrophobicContact CG1-CG1 4Å; S205-V227 WeakPolarHBondContact OG-CG1 3.48Å; D223-V227 WeakPolarHBondContact OD1-CG1 3.5Å; P224-V227 HydrophobicContact CG-CB 3.9Å; P224-V227 HydrophobicContact CG-CG2 3.6Å; P224-V227 PolarHBondContact O-N 2.91Å; Q225-V227 PolarHBondContact O-N 3.25Å; V227-K229 VanDerWaalsContact C-N 3.32Å; V227-K229 PolarHBondContact O-N 3.46Å; V227-E230 PolarHBondContact O-N 2.81Å; V227-N231 PolarHBondContact O-N 2.88Å
228V97.9Very high96.2Very high14 Ų1447.2 Ų47.29%0.08524%0.242CC..Hα-helixtrans-65.6-36177.41720000111.7L215 P224 Q225 E230 N231 L232L215-V228 VanDerWaalsContact C-CG1 3.41Å; P224-V228 PolarHBondContact O-N 2.78Å; Q225-V228 PolarHBondContact O-N 3.34Å; V228-E230 VanDerWaalsContact C-N 3.35Å; V228-N231 PolarHBondContact O-N 3.32Å; V228-L232 PolarHBondContact O-N 3Å
229K97.8Very high96.5Very high129 Ų12945.9 Ų45.956%0.56123%0.233SC*.Hα-helixtrans-63.7-40.6174.2-172.6178.6-179.3-178.90111.2Q225 A226 V227 L232 R233Q225-K229 WeakPolarHBondContact O-CB 3.45Å; Q225-K229 PolarHBondContact O-N 2.77Å; A226-K229 PolarHBondContact O-N 2.7Å; V227-K229 VanDerWaalsContact C-N 3.32Å; V227-K229 PolarHBondContact O-N 3.46Å; K229-L232 PolarHBondContact O-N 2.94Å; K229-R233 PolarHBondContact O-N 2.89Å
230E98.4Very high96.7Very high8 Ų844.8 Ų44.84%0.03723%0.234CC..Hα-helixtrans-65.2-42.6174.7172.153.3-16000112.1L170 E171 I204 A226 V227 V228 L232 R233 R234L170-E230 HydrophobicContact CB-CB 4.26Å; L170-E230 HydrophobicContact CB-CG 4.18Å; E171-E230 WeakPolarHBondContact CG-OE2 3.49Å; I204-E230 HydrophobicContact CD1-CB 3.88Å; I204-E230 HydrophobicContact CD1-CG 3.57Å; I204-E230 HydrophobicContact CG1-CB 4.46Å; I204-E230 HydrophobicContact CG1-CG 4.03Å; A226-E230 PolarHBondContact O-N 2.93Å; V227-E230 PolarHBondContact O-N 2.81Å; V228-E230 VanDerWaalsContact C-N 3.35Å; E230-L232 VanDerWaalsContact C-N 3.28Å; E230-L232 PolarHBondContact O-N 2.81Å; E230-R233 WeakPolarHBondContact O-CB 3.26Å; E230-R233 PolarHBondContact O-N 3.3Å; E230-R233 VanDerWaalsContact O-N 3.14Å; E230-R233 IonicContact OE1-CZ 3.86Å; E230-R233 IonicContact OE1-NE 3.63Å; E230-R233 IonicContact OE1-NH2 2.79Å; E230-R233 PolarHBondContact OE1-NH2 3.44Å; E230-R233 IonicContact OE2-CZ 3.02Å; E230-R233 IonicContact OE2-NE 3.41Å; E230-R233 PolarHBondContact OE2-NE 3.26Å; E230-R233 IonicContact OE2-NH2 2.71Å; E230-R233 PolarHBondContact OE2-NH2 2.92Å; E230-R234 WeakPolarHBondContact O-CG 3.26Å; E230-R234 PolarHBondContact O-N 3.04Å; E230-R234 WeakPolarHBondContact OE1-CG 3.37Å; E230-R234 IonicContact OE1-CZ 3.2Å; E230-R234 IonicContact OE1-NE 3.23Å; E230-R234 PolarHBondContact OE1-NE 2.48Å; E230-R234 IonicContact OE1-NH2 3.63Å; E230-R234 PolarHBondContact OE1-NH2 2.62Å
231N98.7Very high97Very high0 Ų036.9 Ų36.90%020%0.199CC..Hα-helixtrans-58.6-40.8172.9-70.1-26.3000111.9G203 I204 S205 S212 N214 L215 V227 V228 R234 L235G203-N231 WeakPolarHBondContact CA-OD1 3.25Å; I204-N231 WeakPolarHBondContact CG1-OD1 3.41Å; I204-N231 PolarHBondContact N-OD1 2.99Å; S205-N231 PolarHBondContact OG-ND2 3.25Å; S212-N231 PolarHBondContact O-ND2 2.65Å; N214-N231 PolarHBondContact N-ND2 2.84Å; N214-N231 PolarHBondContact O-ND2 3.39Å; L215-N231 HydrophobicContact CD2-CB 4.04Å; V227-N231 PolarHBondContact O-N 2.88Å; V228-N231 PolarHBondContact O-N 3.32Å; N231-R234 PolarHBondContact O-N 3.35Å; N231-L235 WeakPolarHBondContact O-CB 3.23Å; N231-L235 PolarHBondContact O-N 3.04Å
232L98.6Very high97.3Very high29 Ų2939.3 Ų39.315%0.15222%0.215CC..Hα-helixtrans-65.4-40.6175.2179.962.3000111.7L215 V228 K229 E230 L235 A236 F241 P243 F246L215-L232 HydrophobicContact CD2-CB 4.3Å; V228-L232 PolarHBondContact O-N 3Å; K229-L232 PolarHBondContact O-N 2.94Å; E230-L232 VanDerWaalsContact C-N 3.28Å; E230-L232 PolarHBondContact O-N 2.81Å; L232-L235 HydrophobicContact CD1-CD2 4.36Å; L232-L235 PolarHBondContact O-N 2.82Å; L232-A236 VanDerWaalsContact O-CB 3.26Å; L232-A236 WeakPolarHBondContact O-CB 3.22Å; L232-A236 PolarHBondContact O-N 3.43Å; L232-F241 HydrophobicContact CD1-CE2 4.21Å; L232-F241 HydrophobicContact CD1-CZ 4.11Å; L232-P243 HydrophobicContact CG-CB 4.45Å; L232-F246 HydrophobicContact CD1-CD1 4.15Å; L232-F246 HydrophobicContact CD1-CD2 4.08Å; L232-F246 HydrophobicContact CD1-CE1 4.11Å; L232-F246 HydrophobicContact CD1-CE2 4.05Å; L232-F246 HydrophobicContact CD1-CG 4.13Å; L232-F246 HydrophobicContact CD1-CZ 4.07Å; L232-F246 HydrophobicContact CD2-CD1 3.75Å; L232-F246 HydrophobicContact CD2-CE1 4.13Å; L232-F246 HydrophobicContact CD2-CG 4.19Å
233R98.2Very high97.4Very high85 Ų8539.8 Ų39.832%0.32122%0.222SC..Hα-helixtrans-61.6-43.5175.7-169.2-159.36579.72.6111.4E171 K229 E230 A236 S237E171-R233 IonicContact OE1-NE 3.48Å; K229-R233 PolarHBondContact O-N 2.89Å; E230-R233 WeakPolarHBondContact O-CB 3.26Å; E230-R233 PolarHBondContact O-N 3.3Å; E230-R233 VanDerWaalsContact O-N 3.14Å; E230-R233 IonicContact OE1-CZ 3.86Å; E230-R233 IonicContact OE1-NE 3.63Å; E230-R233 IonicContact OE1-NH2 2.79Å; E230-R233 PolarHBondContact OE1-NH2 3.44Å; E230-R233 IonicContact OE2-CZ 3.02Å; E230-R233 IonicContact OE2-NE 3.41Å; E230-R233 PolarHBondContact OE2-NE 3.26Å; E230-R233 IonicContact OE2-NH2 2.71Å; E230-R233 PolarHBondContact OE2-NH2 2.92Å; R233-A236 PolarHBondContact O-N 2.97Å; R233-S237 WeakPolarHBondContact O-CB 3.27Å; R233-S237 PolarHBondContact O-N 2.91Å
234R98.2Very high97.4Very high25 Ų2546.6 Ų46.69%0.09425%0.253CS..Hα-helixtrans-59.7-49.1174-69.7-179.6-173.2-142.2-4.2111.5L170 L173 S175 L180 E230 N231 A236 S237 T238L170-R234 PolarHBondContact O-NH2 2.81Å; L173-R234 PolarHBondContact O-NH1 3.26Å; L173-R234 PolarHBondContact O-NH2 3.27Å; S175-R234 PolarHBondContact OG-NH1 3.17Å; S175-R234 VanDerWaalsContact OG-NH1 3.16Å; L180-R234 HydrophobicContact CD1-CB 4.21Å; E230-R234 WeakPolarHBondContact O-CG 3.26Å; E230-R234 PolarHBondContact O-N 3.04Å; E230-R234 WeakPolarHBondContact OE1-CG 3.37Å; E230-R234 IonicContact OE1-CZ 3.2Å; E230-R234 IonicContact OE1-NE 3.23Å; E230-R234 PolarHBondContact OE1-NE 2.48Å; E230-R234 IonicContact OE1-NH2 3.63Å; E230-R234 PolarHBondContact OE1-NH2 2.62Å; N231-R234 PolarHBondContact O-N 3.35Å; R234-A236 VanDerWaalsContact C-N 3.34Å; R234-A236 PolarHBondContact O-N 3.17Å; R234-S237 PolarHBondContact O-N 3.48Å; R234-T238 PolarHBondContact O-N 3.15Å; R234-T238 PolarHBondContact O-OG1 2.97Å
235L98.4Very high97.4Very high0 Ų048.6 Ų48.60%027%0.266CS..Hα-helixtrans-56.8-48.9175.5173.562.5000111.6L180 I182 T198 L215 N231 L232 S237 T238 A239 F241 I431 F433L180-L235 HydrophobicContact CD1-CB 4.12Å; L180-L235 HydrophobicContact CD1-CD1 4.47Å; L180-L235 HydrophobicContact CD2-CD1 3.97Å; I182-L235 HydrophobicContact CD1-CD1 3.91Å; I182-L235 HydrophobicContact CG1-CD1 4.14Å; T198-L235 HydrophobicContact CG2-CD1 3.48Å; T198-L235 VanDerWaalsContact CG2-CD1 3.48Å; T198-L235 HydrophobicContact CG2-CD2 3.66Å; T198-L235 HydrophobicContact CG2-CG 4.22Å; L215-L235 HydrophobicContact CD1-CD2 3.81Å; L215-L235 HydrophobicContact CD2-CD2 4.26Å; N231-L235 WeakPolarHBondContact O-CB 3.23Å; N231-L235 PolarHBondContact O-N 3.04Å; L232-L235 HydrophobicContact CD1-CD2 4.36Å; L232-L235 PolarHBondContact O-N 2.82Å; L235-S237 VanDerWaalsContact C-N 3.31Å; L235-S237 PolarHBondContact O-N 3.44Å; L235-T238 PolarHBondContact O-N 3.09Å; L235-A239 HydrophobicContact CD1-CB 4.44Å; L235-A239 WeakPolarHBondContact O-CB 3.13Å; L235-A239 PolarHBondContact O-N 3.22Å; L235-F241 HydrophobicContact CD2-CE1 4.34Å; L235-F241 HydrophobicContact CD2-CZ 4.06Å; L235-F241 HydrophobicContact CG-CE1 3.96Å; L235-F241 HydrophobicContact CG-CZ 3.9Å; L235-I431 HydrophobicContact CD2-CD1 3.69Å; L235-I431 HydrophobicContact CD2-CG1 4.22Å; L235-F433 HydrophobicContact CD1-CE1 3.99Å; L235-F433 HydrophobicContact CD2-CD1 4.49Å
236A98.1Very high97.5Very high4 Ų442.8 Ų42.83%0.03324%0.238CC..Hα-helixtrans-58.9-43.6-179.700000111.4L232 R233 R234 A239 G240 F241 P243L232-A236 VanDerWaalsContact O-CB 3.26Å; L232-A236 WeakPolarHBondContact O-CB 3.22Å; L232-A236 PolarHBondContact O-N 3.43Å; R233-A236 PolarHBondContact O-N 2.97Å; R234-A236 VanDerWaalsContact C-N 3.34Å; R234-A236 PolarHBondContact O-N 3.17Å; A236-A239 PolarHBondContact O-N 3.38Å; A236-G240 WeakPolarHBondContact O-CA 3.3Å; A236-G240 PolarHBondContact O-N 2.91Å; A236-F241 HydrophobicContact CB-CD2 3.65Å; A236-F241 HydrophobicContact CB-CE1 4.45Å; A236-F241 HydrophobicContact CB-CE2 3.34Å; A236-F241 HydrophobicContact CB-CG 4.32Å; A236-F241 HydrophobicContact CB-CZ 3.79Å; A236-F241 WeakPolarHBondContact CB-O 3.34Å; A236-F241 PolarHBondContact O-N 2.79Å; A236-F241 VanDerWaalsContact O-N 3.13Å; A236-P243 HydrophobicContact CB-CB 3.91Å; A236-P243 HydrophobicContact CB-CG 4.09Å
237S97.2Very high97.6Very high92 Ų9245 Ų4564%0.64325%0.246SC*.Hα-helixtrans-62.5-41.7175.1-172.90000112.7R233 R234 L235R233-S237 WeakPolarHBondContact O-CB 3.27Å; R233-S237 PolarHBondContact O-N 2.91Å; R234-S237 PolarHBondContact O-N 3.48Å; L235-S237 VanDerWaalsContact C-N 3.31Å; L235-S237 PolarHBondContact O-N 3.44Å
238T96.9Very high97.5Very high80 Ų8048.5 Ų48.549%0.49126%0.259SS..Hα-helixtrans-73.9-36.4178.6-55.80000112.3L180 I182 R234 L235L180-T238 HydrophobicContact CD2-CG2 3.97Å; I182-T238 HydrophobicContact CD1-CG2 3.98Å; R234-T238 PolarHBondContact O-N 3.15Å; R234-T238 PolarHBondContact O-OG1 2.97Å; L235-T238 PolarHBondContact O-N 3.09Å
239A96.8Very high97.5Very high4 Ų448.1 Ų48.13%0.03326%0.256CS..Hα-helixtrans-83.5-22.7-176.800000113.3I182 L235 A236 F241 F433I182-A239 HydrophobicContact CD1-CB 3.81Å; L235-A239 HydrophobicContact CD1-CB 4.44Å; L235-A239 WeakPolarHBondContact O-CB 3.13Å; L235-A239 PolarHBondContact O-N 3.22Å; A236-A239 PolarHBondContact O-N 3.38Å; A239-F241 HydrophobicContact CB-CD1 3.46Å; A239-F241 VanDerWaalsContact CB-CD1 3.46Å; A239-F241 HydrophobicContact CB-CE1 3.55Å; A239-F433 HydrophobicContact CB-CE2 3.78Å; A239-F433 HydrophobicContact CB-CZ 3.57Å
240G96.8Very high97.5Very high55 Ų5546.1 Ų46.157%0.56725%0.248SC*.THydrogen-bonded Turntrans83.130.6-178.900000114.3L194 A236L194-G240 WeakPolarHBondContact CD1-O 3.33Å; A236-G240 WeakPolarHBondContact O-CA 3.3Å; A236-G240 PolarHBondContact O-N 2.91Å
241F97.3Very high97.3Very high18 Ų1848.9 Ų48.98%0.07926%0.262CS..  trans-114.4161.8174.767.7-106.1000112.5L232 L235 A236 A239 F246 T279 F433L232-F241 HydrophobicContact CD1-CE2 4.21Å; L232-F241 HydrophobicContact CD1-CZ 4.11Å; L235-F241 HydrophobicContact CD2-CE1 4.34Å; L235-F241 HydrophobicContact CD2-CZ 4.06Å; L235-F241 HydrophobicContact CG-CE1 3.96Å; L235-F241 HydrophobicContact CG-CZ 3.9Å; A236-F241 HydrophobicContact CB-CD2 3.65Å; A236-F241 HydrophobicContact CB-CE1 4.45Å; A236-F241 HydrophobicContact CB-CE2 3.34Å; A236-F241 HydrophobicContact CB-CG 4.32Å; A236-F241 HydrophobicContact CB-CZ 3.79Å; A236-F241 WeakPolarHBondContact CB-O 3.34Å; A236-F241 PolarHBondContact O-N 2.79Å; A236-F241 VanDerWaalsContact O-N 3.13Å; A239-F241 HydrophobicContact CB-CD1 3.46Å; A239-F241 VanDerWaalsContact CB-CD1 3.46Å; A239-F241 HydrophobicContact CB-CE1 3.55Å; F241-F246 HydrophobicContact CE2-CB 4.46Å; F241-F246 AromaticContact CE2-CD2 3.91Å; F241-F246 HydrophobicContact CE2-CD2 3.91Å; F241-F246 HydrophobicContact CZ-CD2 4.18Å; F241-T279 VanDerWaalsContact CB-OG1 3.24Å; F241-T279 WeakPolarHBondContact CB-OG1 3.08Å; F241-T279 HydrophobicContact CD1-CG2 4.15Å; F241-T279 HydrophobicContact CD2-CG2 4.22Å; F241-T279 HydrophobicContact CE1-CG2 4.39Å; F241-T279 HydrophobicContact CE2-CG2 4.47Å; F241-T279 HydrophobicContact CG-CG2 4.08Å; F241-F433 HydrophobicContact CD1-CD2 4.06Å; F241-F433 AromaticContact CD1-CE2 3.97Å; F241-F433 HydrophobicContact CD1-CE2 3.97Å; F241-F433 AromaticContact CE1-CD2 3.93Å; F241-F433 HydrophobicContact CE1-CD2 3.93Å; F241-F433 AromaticContact CE1-CE2 3.95Å; F241-F433 HydrophobicContact CE1-CE2 3.95Å; F241-F433 HydrophobicContact CE1-CG 4.3Å; F241-F433 HydrophobicContact CE1-CZ 4.32Å
242N96.6Very high97.1Very high80 Ų8052.6 Ų52.643%0.42828%0.282SS..  trans-84.8119.4175.1179.53.1000110.5E244 T245N242-E244 PolarHBondContact O-N 3.29Å; N242-E244 WeakPolarHBondContact OD1-CB 3.49Å; N242-E244 PolarHBondContact OD1-N 3.48Å; N242-T245 PolarHBondContact O-N 3.48Å; N242-T245 PolarHBondContact O-OG1 3.02Å
243P96.7Very high97Very high42 Ų4255.3 Ų55.327%0.27329%0.294SS..G310 helixtrans-67-19.8179.728.2-34.4000113.6L232 A236 T245 F246L232-P243 HydrophobicContact CG-CB 4.45Å; A236-P243 HydrophobicContact CB-CB 3.91Å; A236-P243 HydrophobicContact CB-CG 4.09Å; P243-T245 VanDerWaalsContact C-N 3.33Å; P243-F246 VanDerWaalsContact O-CB 3.31Å; P243-F246 WeakPolarHBondContact O-CB 3.38Å; P243-F246 PolarHBondContact O-N 3.13Å
244E96Very high97Very high142 Ų14251.8 Ų51.866%0.66428%0.284SS*.G310 helixtrans-78-18.5179.1-59.1-58.9140.800112.9N242N242-E244 PolarHBondContact O-N 3.29Å; N242-E244 WeakPolarHBondContact OD1-CB 3.49Å; N242-E244 PolarHBondContact OD1-N 3.48Å
245T96.3Very high97Very high43 Ų4354 Ų5426%0.26430%0.297SS..G310 helixtrans-107.32317457.20000111.8N242 P243 H247 G277 T279N242-T245 PolarHBondContact O-N 3.48Å; N242-T245 PolarHBondContact O-OG1 3.02Å; P243-T245 VanDerWaalsContact C-N 3.33Å; T245-H247 PolarHBondContact O-CD2 3.31Å; T245-G277 PolarHBondContact OG1-O 3.32Å; T245-T279 PolarHBondContact O-N 2.85Å
246F98.1Very high97Very high32 Ų3255.9 Ų55.914%0.1431%0.313CS..EExtended strand (participates in β ladder)trans-88.3126.3176.7176.3-92.1000111.2L232 F241 P243 R248 T279 A281 I431L232-F246 HydrophobicContact CD1-CD1 4.15Å; L232-F246 HydrophobicContact CD1-CD2 4.08Å; L232-F246 HydrophobicContact CD1-CE1 4.11Å; L232-F246 HydrophobicContact CD1-CE2 4.05Å; L232-F246 HydrophobicContact CD1-CG 4.13Å; L232-F246 HydrophobicContact CD1-CZ 4.07Å; L232-F246 HydrophobicContact CD2-CD1 3.75Å; L232-F246 HydrophobicContact CD2-CE1 4.13Å; L232-F246 HydrophobicContact CD2-CG 4.19Å; F241-F246 HydrophobicContact CE2-CB 4.46Å; F241-F246 AromaticContact CE2-CD2 3.91Å; F241-F246 HydrophobicContact CE2-CD2 3.91Å; F241-F246 HydrophobicContact CZ-CD2 4.18Å; P243-F246 VanDerWaalsContact O-CB 3.31Å; P243-F246 WeakPolarHBondContact O-CB 3.38Å; P243-F246 PolarHBondContact O-N 3.13Å; F246-R248 HydrophobicContact CE1-CB 3.86Å; F246-R248 HydrophobicContact CZ-CB 4.17Å; F246-T279 CarbonylContact C-O 3.52Å; F246-T279 WeakPolarHBondContact CA-O 3.38Å; F246-T279 HydrophobicContact CD2-CG2 3.84Å; F246-T279 HydrophobicContact CE2-CG2 4.34Å; F246-A281 HydrophobicContact CE2-CB 3.48Å; F246-A281 VanDerWaalsContact CE2-CB 3.48Å; F246-A281 HydrophobicContact CZ-CB 3.51Å; F246-I431 HydrophobicContact CE2-CD1 3.73Å; F246-I431 HydrophobicContact CZ-CD1 3.67Å
247H98.1Very high97Very high63 Ų6357 Ų5729%0.29232%0.32SS..EExtended strand (participates in β ladder)trans-123.4135.4176.2-61.6-93.4000109.9T245 M260 I271 T279 I280 A281T245-H247 PolarHBondContact O-CD2 3.31Å; H247-M260 VanDerWaalsContact CD2-CE 3.44Å; H247-M260 WeakPolarHBondContact CD2-CE 3.28Å; H247-M260 WeakPolarHBondContact NE2-CE 3.32Å; H247-I271 HydrophobicContact CB-CD1 3.81Å; H247-T279 PolarHBondContact N-O 3.25Å; H247-I280 HydrophobicContact CB-CG2 4.45Å; H247-I280 CarbonylContact O-C 3.5Å; H247-I280 VanDerWaalsContact O-CA 3.26Å; H247-I280 WeakPolarHBondContact O-CA 3.1Å; H247-A281 PolarHBondContact O-N 3.11Å
248R97.5Very high97.1Very high74 Ų7453.7 Ų53.728%0.27929%0.293SS..EExtended strand (participates in β ladder)trans-121.8144176.7-175.4-174.664.4-148.3-8.5109.5L215 F246 A281 P283L215-R248 PolarHBondContact O-NH1 2.82Å; F246-R248 HydrophobicContact CE1-CB 3.86Å; F246-R248 HydrophobicContact CZ-CB 4.17Å; R248-A281 WeakPolarHBondContact CA-O 3.48Å; R248-P283 HydrophobicContact CG-CG 4.39Å
249V97.3Very high97.1Very high5 Ų551.1 Ų51.13%0.0328%0.276CS..  trans-54.1143.4173.3-58.20000113.1I251 Y268 I271 A281 A282 P283 H304V249-I251 HydrophobicContact CG2-CG1 3.97Å; V249-Y268 VanDerWaalsContact CA-CE2 3.48Å; V249-Y268 HydrophobicContact CB-CD2 4.02Å; V249-Y268 HydrophobicContact CB-CE2 4.09Å; V249-Y268 WeakPolarHBondContact CB-O 3.44Å; V249-Y268 HydrophobicContact CG1-CD2 4.05Å; V249-Y268 HydrophobicContact CG1-CE2 4.1Å; V249-I271 HydrophobicContact CG1-CB 4.02Å; V249-I271 HydrophobicContact CG1-CG2 3.56Å; V249-A281 PolarHBondContact N-O 2.81Å; V249-A282 HydrophobicContact CG2-CB 4.41Å; V249-P283 HydrophobicContact CG2-CG 4.2Å; V249-H304 HydrophobicContact CG2-CB 4.05Å
250K96.6Very high97.2Very high88 Ų8851.8 Ų51.838%0.38328%0.279SS..BIsolated β-bridgetrans-101.175.1178.8-67.3179.6-179.6164.50109.3D252 E264 D266 S267 Y268K250-D252 PolarHBondContact O-N 2.6Å; K250-E264 WeakPolarHBondContact CE-OE1 3.25Å; K250-E264 IonicContact NZ-OE1 3.56Å; K250-E264 PolarHBondContact NZ-OE1 3.18Å; K250-E264 IonicContact NZ-OE2 3.99Å; K250-E264 PolarHBondContact NZ-OE2 3.1Å; K250-D266 WeakPolarHBondContact CD-O 3.13Å; K250-S267 CarbonylContact O-C 3.58Å; K250-S267 WeakPolarHBondContact O-CA 3.3Å; K250-S267 WeakPolarHBondContact O-CB 3.41Å; K250-Y268 CarbonylContact C-O 3.55Å; K250-Y268 HydrophobicContact CB-CD1 4.13Å; K250-Y268 HydrophobicContact CB-CE1 3.98Å; K250-Y268 HydrophobicContact CD-CD1 4.5Å; K250-Y268 HydrophobicContact CD-CE1 3.78Å; K250-Y268 HydrophobicContact CG-CE1 3.87Å; K250-Y268 PolarHBondContact N-O 3.49Å; K250-Y268 VanDerWaalsContact N-O 3.09Å; K250-Y268 PolarHBondContact O-N 3.09Å; K250-Y268 VanDerWaalsContact O-O 3.09Å
251I94.7Very high97.1Very high66 Ų6652.3 Ų52.334%0.33828%0.284SS..  trans-53.9132-167.3-56.4164.4000113.5V249 D269 P283 H304V249-I251 HydrophobicContact CG2-CG1 3.97Å; I251-D269 WeakPolarHBondContact CG2-OD1 3.14Å; I251-P283 HydrophobicContact CD1-CB 4.42Å; I251-P283 HydrophobicContact CD1-CG 3.24Å; I251-P283 HydrophobicContact CG1-CG 3.97Å; I251-H304 HydrophobicContact CG1-CB 4.22Å
252D95.7Very high97.1Very high78 Ų7856.3 Ų56.342%0.41730%0.301SS..  trans-124.27.3158.866.418.9000113.4K250 G254 S267 D269K250-D252 PolarHBondContact O-N 2.6Å; D252-G254 VanDerWaalsContact OD1-CA 3.24Å; D252-G254 WeakPolarHBondContact OD1-CA 3.36Å; D252-G254 PolarHBondContact OD1-N 2.86Å; D252-S267 VanDerWaalsContact OD2-CB 3.3Å; D252-S267 WeakPolarHBondContact OD2-CB 3.19Å; D252-S267 PolarHBondContact OD2-OG 2.82Å; D252-D269 PolarHBondContact N-OD2 2.87Å
253H95.9Very high97.1Very high86 Ų8658.9 Ų58.940%0.39832%0.32SS..SBendtrans63.926.6-173.4-58.3-63.9000113.5D269 H304 K308H253-D269 WeakPolarHBondContact CA-OD1 3.25Å; H253-D269 PolarHBondContact N-OD1 3.16Å; H253-D269 VanDerWaalsContact N-OD1 3.11Å; H253-D269 PolarHBondContact N-OD2 3.06Å; H253-D269 VanDerWaalsContact N-OD2 3.1Å; H253-H304 AromaticContact CE1-NE2 3.24Å; H253-H304 PolarHBondContact CE1-NE2 2.97Å; H253-H304 AromaticContact ND1-CD2 3.72Å; H253-H304 AromaticContact ND1-NE2 3.04Å; H253-H304 PolarHBondContact ND1-NE2 2.98Å; H253-K308 WeakPolarHBondContact O-CB 3.48Å
254G97.2Very high97.1Very high11 Ų1160.4 Ų60.411%0.11332%0.323CS..SBendtrans-95.1-149175.900000113.2D252 D269 G309D252-G254 VanDerWaalsContact OD1-CA 3.24Å; D252-G254 WeakPolarHBondContact OD1-CA 3.36Å; D252-G254 PolarHBondContact OD1-N 2.86Å; G254-D269 PolarHBondContact N-OD2 3.49Å; G254-D269 VanDerWaalsContact N-OD2 3.17Å; G254-G309 WeakPolarHBondContact O-CA 3.48Å
255N98Very high97.1Very high71 Ų7156 Ų5638%0.3831%0.307SS..  trans-134.510.7178.270.5-9.3000114.1L312 V314 A317N255-L312 HydrophobicContact CB-CB 3.86Å; N255-L312 PolarHBondContact ND2-O 3.46Å; N255-V314 HydrophobicContact CB-CB 4.01Å; N255-V314 HydrophobicContact CB-CG2 4.46Å; N255-A317 WeakPolarHBondContact O-CB 3.27Å
256A98.4Very high97.1Very high39 Ų3961.5 Ų61.532%0.32234%0.335SS..  trans-65.614217700000110.4Y268 D269 G270A256-Y268 WeakPolarHBondContact O-CB 3.46Å; A256-D269 PolarHBondContact O-N 2.82Å; A256-G270 PolarHBondContact O-N 2.85Å
257V98.8Very high97.1Very high29 Ų2961.9 Ų61.918%0.17634%0.341CS..EExtended strand (participates in β ladder)trans-123.6124-177.8-177.20000109.6G270 V272 A317 A321V257-G270 CarbonylContact C-O 3.56Å; V257-G270 VanDerWaalsContact CA-O 3.24Å; V257-G270 WeakPolarHBondContact CA-O 3.31Å; V257-V272 HydrophobicContact CG1-CG1 3.97Å; V257-V272 HydrophobicContact CG1-CG2 4.33Å; V257-A317 HydrophobicContact CG2-CB 3.84Å; V257-A321 HydrophobicContact CB-CB 4.38Å; V257-A321 HydrophobicContact CG1-CB 3.82Å
258Y98.8Very high97.1Very high22 Ų2258.9 Ų58.99%0.08633%0.327CS..EExtended strand (participates in β ladder)trans-84.3128.4171.7175.3-137.6000110.9M260 K262 E264 Y268 G270 I271 V272Y258-M260 HydrophobicContact CD1-SD 4.06Å; Y258-M260 HydrophobicContact CE1-CG 4.44Å; Y258-M260 HydrophobicContact CE1-SD 3.3Å; Y258-M260 WeakPolarHBondContact CE1-SD 3.34Å; Y258-K262 WeakPolarHBondContact CE2-O 3.36Å; Y258-K262 PolarHBondContact OH-O 3.5Å; Y258-E264 HydrophobicContact CD1-CG 3.89Å; Y258-E264 HydrophobicContact CD2-CB 4.22Å; Y258-E264 HydrophobicContact CD2-CG 4.08Å; Y258-E264 HydrophobicContact CE1-CB 4.27Å; Y258-E264 HydrophobicContact CE1-CG 3.78Å; Y258-E264 HydrophobicContact CE2-CB 3.81Å; Y258-E264 HydrophobicContact CE2-CG 4.02Å; Y258-E264 HydrophobicContact CG-CG 4.05Å; Y258-Y268 HydrophobicContact CD1-CE1 4.12Å; Y258-Y268 HydrophobicContact CD1-CE2 4.01Å; Y258-Y268 AromaticContact CD1-CZ 3.63Å; Y258-Y268 HydrophobicContact CG-CE1 4.17Å; Y258-Y268 HydrophobicContact CG-CE2 4.27Å; Y258-G270 PolarHBondContact N-O 2.71Å; Y258-I271 HydrophobicContact CD1-CD1 3.72Å; Y258-I271 HydrophobicContact CD1-CG1 3.92Å; Y258-I271 HydrophobicContact CE1-CD1 4.26Å; Y258-I271 CarbonylContact O-C 3.56Å; Y258-I271 VanDerWaalsContact O-CA 3.26Å; Y258-I271 WeakPolarHBondContact O-CA 3.16Å; Y258-V272 PolarHBondContact O-N 3.31Å
259I98.7Very high97.1Very high26 Ų2655.4 Ų55.413%0.13331%0.314CS..EExtended strand (participates in β ladder)trans-100.3115.3175.4-60.3152.9000107.8G261 K262 V272 A321 E325I259-G261 PolarHBondContact O-N 2.96Å; I259-K262 HydrophobicContact CB-CB 4.49Å; I259-K262 HydrophobicContact CB-CD 3.99Å; I259-K262 HydrophobicContact CB-CG 4.13Å; I259-K262 HydrophobicContact CD1-CD 3.98Å; I259-K262 HydrophobicContact CG2-CD 4.07Å; I259-K262 HydrophobicContact CG2-CG 4.08Å; I259-K262 WeakPolarHBondContact O-CB 3.43Å; I259-K262 PolarHBondContact O-N 3.49Å; I259-V272 HydrophobicContact CB-CG2 4.24Å; I259-V272 HydrophobicContact CG1-CG2 3.85Å; I259-V272 HydrophobicContact CG2-CG2 4.34Å; I259-A321 HydrophobicContact CG1-CB 4.37Å; I259-E325 HydrophobicContact CD1-CG 3.58Å; I259-E325 HydrophobicContact CG1-CG 3.95Å; I259-E325 HydrophobicContact CG2-CB 4.27Å; I259-E325 HydrophobicContact CG2-CG 3.88Å
260M97.6Very high97.2Very high18 Ų1855.1 Ų55.19%0.08931%0.313CS..THydrogen-bonded Turntrans-55.9128.8-177.6-77-61.7-78.300112H247 Y258 I271 V272 V278 I280H247-M260 VanDerWaalsContact CD2-CE 3.44Å; H247-M260 WeakPolarHBondContact CD2-CE 3.28Å; H247-M260 WeakPolarHBondContact NE2-CE 3.32Å; Y258-M260 HydrophobicContact CD1-SD 4.06Å; Y258-M260 HydrophobicContact CE1-CG 4.44Å; Y258-M260 HydrophobicContact CE1-SD 3.3Å; Y258-M260 WeakPolarHBondContact CE1-SD 3.34Å; M260-I271 HydrophobicContact CG-CD1 4.26Å; M260-I271 HydrophobicContact CG-CG1 4.25Å; M260-I271 HydrophobicContact SD-CD1 3.89Å; M260-I271 HydrophobicContact SD-CG1 4.45Å; M260-V272 WeakPolarHBondContact CB-O 3.34Å; M260-V272 WeakPolarHBondContact CG-O 3.16Å; M260-V272 PolarHBondContact N-O 2.84Å; M260-V278 HydrophobicContact CE-CG1 3.7Å; M260-I280 HydrophobicContact CG-CG2 4.42Å
261G95.3Very high97.3Very high65 Ų6551 Ų5167%0.6730%0.295SS*.THydrogen-bonded Turntrans93.1-5.1-176.400000114.7I259I259-G261 PolarHBondContact O-N 2.96Å
262K96.8Very high97.5Very high103 Ų10347.8 Ų47.845%0.44828%0.278SS..SBendtrans-94.1177.5167.4-61-163.1-179.1-177.30111.2Y258 I259 E264 E325Y258-K262 WeakPolarHBondContact CE2-O 3.36Å; Y258-K262 PolarHBondContact OH-O 3.5Å; I259-K262 HydrophobicContact CB-CB 4.49Å; I259-K262 HydrophobicContact CB-CD 3.99Å; I259-K262 HydrophobicContact CB-CG 4.13Å; I259-K262 HydrophobicContact CD1-CD 3.98Å; I259-K262 HydrophobicContact CG2-CD 4.07Å; I259-K262 HydrophobicContact CG2-CG 4.08Å; I259-K262 WeakPolarHBondContact O-CB 3.43Å; I259-K262 PolarHBondContact O-N 3.49Å; K262-E264 PolarHBondContact O-N 3.47Å; K262-E325 WeakPolarHBondContact CE-OE2 3.36Å; K262-E325 IonicContact NZ-OE1 2.77Å; K262-E325 PolarHBondContact NZ-OE1 3.11Å; K262-E325 IonicContact NZ-OE2 3.5Å; K262-E325 PolarHBondContact NZ-OE2 2.93Å
263T96.4Very high97.7Very high134 Ų13444.1 Ų44.182%0.82226%0.259SS*.PPolyproline II helixtrans-60.8121.4170.6-54.20000109.5P265T263-P265 WeakPolarHBondContact O-CD 3.41Å
264E96.9Very high97.8Very high74 Ų7443.9 Ų43.935%0.34626%0.26SS..PPolyproline II helixtrans-73.7127.7179.9-166.5-174.9-172.500110.7K250 Y258 K262 Y268K250-E264 WeakPolarHBondContact CE-OE1 3.25Å; K250-E264 IonicContact NZ-OE1 3.56Å; K250-E264 PolarHBondContact NZ-OE1 3.18Å; K250-E264 IonicContact NZ-OE2 3.99Å; K250-E264 PolarHBondContact NZ-OE2 3.1Å; Y258-E264 HydrophobicContact CD1-CG 3.89Å; Y258-E264 HydrophobicContact CD2-CB 4.22Å; Y258-E264 HydrophobicContact CD2-CG 4.08Å; Y258-E264 HydrophobicContact CE1-CB 4.27Å; Y258-E264 HydrophobicContact CE1-CG 3.78Å; Y258-E264 HydrophobicContact CE2-CB 3.81Å; Y258-E264 HydrophobicContact CE2-CG 4.02Å; Y258-E264 HydrophobicContact CG-CG 4.05Å; K262-E264 PolarHBondContact O-N 3.47Å; E264-Y268 HydrophobicContact CG-CE1 3.67Å; E264-Y268 VanDerWaalsContact OE1-CE1 3.28Å; E264-Y268 WeakPolarHBondContact OE1-CE1 3.3Å; E264-Y268 PolarHBondContact OE1-OH 3.19Å
265P95.5Very high97.8Very high48 Ų4847.2 Ų47.231%0.31227%0.273SS..PPolyproline II helixtrans-68.4160.3171.4-18.232000112.8T263 S267 Y268T263-P265 WeakPolarHBondContact O-CD 3.41Å; P265-S267 VanDerWaalsContact C-N 3.29Å; P265-S267 WeakPolarHBondContact CB-O 3.18Å; P265-S267 PolarHBondContact O-N 2.86Å; P265-Y268 HydrophobicContact CB-CD1 4.28Å; P265-Y268 HydrophobicContact CG-CD1 4.38Å
266D96.5Very high97.8Very high159 Ų15948.9 Ų48.985%0.8528%0.277SS*.SBendtrans-62.2-38.4174.1-68.3-28.1000112.1K250K250-D266 WeakPolarHBondContact CD-O 3.13Å
267S97.6Very high97.6Very high40 Ų4048.2 Ų48.228%0.2827%0.273SS..  trans-140.3146.7176.455.50000111.7K250 D252 P265K250-S267 CarbonylContact O-C 3.58Å; K250-S267 WeakPolarHBondContact O-CA 3.3Å; K250-S267 WeakPolarHBondContact O-CB 3.41Å; D252-S267 VanDerWaalsContact OD2-CB 3.3Å; D252-S267 WeakPolarHBondContact OD2-CB 3.19Å; D252-S267 PolarHBondContact OD2-OG 2.82Å; P265-S267 VanDerWaalsContact C-N 3.29Å; P265-S267 WeakPolarHBondContact CB-O 3.18Å; P265-S267 PolarHBondContact O-N 2.86Å
268Y98.4Very high97.6Very high1 Ų147.4 Ų47.40%0.00427%0.268CS..BIsolated β-bridgetrans-163.914917753.3-89.2000110V249 K250 A256 Y258 E264 P265 G270 I271V249-Y268 VanDerWaalsContact CA-CE2 3.48Å; V249-Y268 HydrophobicContact CB-CD2 4.02Å; V249-Y268 HydrophobicContact CB-CE2 4.09Å; V249-Y268 WeakPolarHBondContact CB-O 3.44Å; V249-Y268 HydrophobicContact CG1-CD2 4.05Å; V249-Y268 HydrophobicContact CG1-CE2 4.1Å; K250-Y268 CarbonylContact C-O 3.55Å; K250-Y268 HydrophobicContact CB-CD1 4.13Å; K250-Y268 HydrophobicContact CB-CE1 3.98Å; K250-Y268 HydrophobicContact CD-CD1 4.5Å; K250-Y268 HydrophobicContact CD-CE1 3.78Å; K250-Y268 HydrophobicContact CG-CE1 3.87Å; K250-Y268 PolarHBondContact N-O 3.49Å; K250-Y268 VanDerWaalsContact N-O 3.09Å; K250-Y268 PolarHBondContact O-N 3.09Å; K250-Y268 VanDerWaalsContact O-O 3.09Å; A256-Y268 WeakPolarHBondContact O-CB 3.46Å; Y258-Y268 HydrophobicContact CD1-CE1 4.12Å; Y258-Y268 HydrophobicContact CD1-CE2 4.01Å; Y258-Y268 AromaticContact CD1-CZ 3.63Å; Y258-Y268 HydrophobicContact CG-CE1 4.17Å; Y258-Y268 HydrophobicContact CG-CE2 4.27Å; E264-Y268 HydrophobicContact CG-CE1 3.67Å; E264-Y268 VanDerWaalsContact OE1-CE1 3.28Å; E264-Y268 WeakPolarHBondContact OE1-CE1 3.3Å; E264-Y268 PolarHBondContact OE1-OH 3.19Å; P265-Y268 HydrophobicContact CB-CD1 4.28Å; P265-Y268 HydrophobicContact CG-CD1 4.38Å; Y268-G270 WeakPolarHBondContact CD2-O 3.24Å; Y268-I271 HydrophobicContact CD2-CB 4.41Å; Y268-I271 HydrophobicContact CE2-CB 4.01Å; Y268-I271 HydrophobicContact CE2-CD1 4.18Å; Y268-I271 HydrophobicContact CE2-CG1 4.39Å
269D98.6Very high97.6Very high0 Ų046.4 Ų46.40%027%0.265CS..SBendtrans-109.5-10.3-178.4-78.3-111.4000112I251 D252 H253 G254 A256 A303 H304 V314I251-D269 WeakPolarHBondContact CG2-OD1 3.14Å; D252-D269 PolarHBondContact N-OD2 2.87Å; H253-D269 WeakPolarHBondContact CA-OD1 3.25Å; H253-D269 PolarHBondContact N-OD1 3.16Å; H253-D269 VanDerWaalsContact N-OD1 3.11Å; H253-D269 PolarHBondContact N-OD2 3.06Å; H253-D269 VanDerWaalsContact N-OD2 3.1Å; G254-D269 PolarHBondContact N-OD2 3.49Å; G254-D269 VanDerWaalsContact N-OD2 3.17Å; A256-D269 PolarHBondContact O-N 2.82Å; D269-A303 CarbonylContact O-C 3.47Å; D269-A303 VanDerWaalsContact O-CA 3.23Å; D269-A303 WeakPolarHBondContact O-CA 3.21Å; D269-H304 PolarHBondContact O-N 3.07Å; D269-H304 IonicContact OD1-CD2 3.84Å; D269-H304 PolarHBondContact OD1-CD2 2.91Å; D269-H304 VanDerWaalsContact OD1-CD2 3.23Å; D269-H304 IonicContact OD1-CG 3.68Å; D269-V314 HydrophobicContact CB-CG2 3.79Å
270G98.8Very high97.6Very high0 Ų045.1 Ų45.10%026%0.258CS..EExtended strand (participates in β ladder)trans-124151.9169.600000112.2A256 V257 Y258 Y268 A302A256-G270 PolarHBondContact O-N 2.85Å; V257-G270 CarbonylContact C-O 3.56Å; V257-G270 VanDerWaalsContact CA-O 3.24Å; V257-G270 WeakPolarHBondContact CA-O 3.31Å; Y258-G270 PolarHBondContact N-O 2.71Å; Y268-G270 WeakPolarHBondContact CD2-O 3.24Å; G270-A302 CarbonylContact C-O 3.59Å; G270-A302 WeakPolarHBondContact CA-O 3.42Å
271I98.9Very high97.7Very high0 Ų044.3 Ų44.30%025%0.254CS..EExtended strand (participates in β ladder)trans-140.8141.1172.8-174.9172.4000109.5H247 V249 Y258 M260 Y268 I280 G301 A302H247-I271 HydrophobicContact CB-CD1 3.81Å; V249-I271 HydrophobicContact CG1-CB 4.02Å; V249-I271 HydrophobicContact CG1-CG2 3.56Å; Y258-I271 HydrophobicContact CD1-CD1 3.72Å; Y258-I271 HydrophobicContact CD1-CG1 3.92Å; Y258-I271 HydrophobicContact CE1-CD1 4.26Å; Y258-I271 CarbonylContact O-C 3.56Å; Y258-I271 VanDerWaalsContact O-CA 3.26Å; Y258-I271 WeakPolarHBondContact O-CA 3.16Å; M260-I271 HydrophobicContact CG-CD1 4.26Å; M260-I271 HydrophobicContact CG-CG1 4.25Å; M260-I271 HydrophobicContact SD-CD1 3.89Å; M260-I271 HydrophobicContact SD-CG1 4.45Å; Y268-I271 HydrophobicContact CD2-CB 4.41Å; Y268-I271 HydrophobicContact CE2-CB 4.01Å; Y268-I271 HydrophobicContact CE2-CD1 4.18Å; Y268-I271 HydrophobicContact CE2-CG1 4.39Å; I271-I280 HydrophobicContact CD1-CB 4.28Å; I271-I280 HydrophobicContact CD1-CG2 3.7Å; I271-I280 HydrophobicContact CG1-CB 4.43Å; I271-I280 HydrophobicContact CG1-CG2 3.97Å; I271-I280 HydrophobicContact CG2-CB 3.77Å; I271-I280 HydrophobicContact CG2-CD1 4.17Å; I271-I280 HydrophobicContact CG2-CG1 4.44Å; I271-I280 HydrophobicContact CG2-CG2 4.27Å; I271-I280 WeakPolarHBondContact O-CD1 3.18Å; I271-G301 CarbonylContact O-C 3.59Å; I271-G301 WeakPolarHBondContact O-CA 3.35Å; I271-A302 HydrophobicContact CG2-CB 4.07Å; I271-A302 PolarHBondContact N-O 3.34Å; I271-A302 PolarHBondContact O-N 3.44Å
272V98.9Very high97.8Very high0 Ų041.2 Ų41.20%022%0.222CC..EExtended strand (participates in β ladder)trans-135145.4-179.7-58.60000112.2V257 Y258 I259 M260 C300 T318 A321 M322 Y326V257-V272 HydrophobicContact CG1-CG1 3.97Å; V257-V272 HydrophobicContact CG1-CG2 4.33Å; Y258-V272 PolarHBondContact O-N 3.31Å; I259-V272 HydrophobicContact CB-CG2 4.24Å; I259-V272 HydrophobicContact CG1-CG2 3.85Å; I259-V272 HydrophobicContact CG2-CG2 4.34Å; M260-V272 WeakPolarHBondContact CB-O 3.34Å; M260-V272 WeakPolarHBondContact CG-O 3.16Å; M260-V272 PolarHBondContact N-O 2.84Å; V272-C300 WeakPolarHBondContact CA-O 3.33Å; V272-T318 HydrophobicContact CG1-CG2 3.58Å; V272-A321 HydrophobicContact CG1-CB 4.26Å; V272-A321 HydrophobicContact CG2-CB 3.98Å; V272-M322 HydrophobicContact CB-CG 4.1Å; V272-M322 HydrophobicContact CG1-CG 3.69Å; V272-Y326 HydrophobicContact CB-CE2 3.99Å; V272-Y326 HydrophobicContact CG2-CE2 3.85Å; V272-Y326 PolarHBondContact O-OH 3.46Å
273T98.8Very high97.9Very high0 Ų036.6 Ų36.60%020%0.203CC..EExtended strand (participates in β ladder)trans-149150.9178.4-168.40000112.4Q275 V278 I280 A299 C300 Y326T273-Q275 WeakPolarHBondContact OG1-CB 3.47Å; T273-Q275 PolarHBondContact OG1-N 2.83Å; T273-V278 HydrophobicContact CG2-CG1 4.39Å; T273-I280 HydrophobicContact CG2-CD1 4.02Å; T273-I280 HydrophobicContact CG2-CG1 4.35Å; T273-I280 HydrophobicContact CG2-CG2 4.04Å; T273-A299 WeakPolarHBondContact O-CA 3.39Å; T273-C300 VanDerWaalsContact CG2-SG 3.59Å; T273-C300 PolarHBondContact N-O 2.85Å; T273-C300 PolarHBondContact O-N 3.4Å; T273-Y326 WeakPolarHBondContact CA-OH 3.5Å
274N98.4Very high97.7Very high81 Ų8130.3 Ų30.343%0.43316%0.164SC..  trans-116.79.7162.971.5-15.4000112.2A299 Y326N274-A299 HydrophobicContact CB-CB 4.21Å; N274-Y326 HydrophobicContact CB-CD1 3.8Å; N274-Y326 HydrophobicContact CB-CD2 4.32Å; N274-Y326 HydrophobicContact CB-CE1 3.95Å; N274-Y326 HydrophobicContact CB-CE2 4.44Å; N274-Y326 HydrophobicContact CB-CG 4.01Å; N274-Y326 WeakPolarHBondContact ND2-CD1 3.49Å
275Q98Very high97.7Very high81 Ų8127.3 Ų27.338%0.37915%0.152SC..  trans-83.7128.6-179.7-58.9-179.41.300110.2T273 V278T273-Q275 WeakPolarHBondContact OG1-CB 3.47Å; T273-Q275 PolarHBondContact OG1-N 2.83Å; Q275-V278 HydrophobicContact CB-CB 4.3Å; Q275-V278 HydrophobicContact CB-CG2 3.84Å
276K97.7Very high97.8Very high107 Ų10725.5 Ų25.547%0.46514%0.14SC..BIsolated β-bridgetrans-68149.4173.5-66.5179.5162-162.10111.5V278 I436 D438K276-V278 PolarHBondContact O-N 2.92Å; K276-I436 HydrophobicContact CG-CB 4.47Å; K276-I436 HydrophobicContact CG-CG2 3.95Å; K276-D438 PolarHBondContact NZ-OXT 3.27Å
277G95.3Very high97.8Very high24 Ų2419.2 Ų19.225%0.24711%0.109CC..THydrogen-bonded Turntrans71.3-4.6178.400000115.2T245 I436 D438T245-G277 PolarHBondContact OG1-O 3.32Å; G277-I436 PolarHBondContact N-O 2.85Å; G277-I436 VanDerWaalsContact N-O 3.09Å; G277-D438 PolarHBondContact N-OD1 2.86Å
278V97.8Very high97.9Very high12 Ų1217.4 Ų17.47%0.07310%0.095CC..  trans-88.3125.9172.4173.60000109.4M260 T273 Q275 K276 I280 S435M260-V278 HydrophobicContact CE-CG1 3.7Å; T273-V278 HydrophobicContact CG2-CG1 4.39Å; Q275-V278 HydrophobicContact CB-CB 4.3Å; Q275-V278 HydrophobicContact CB-CG2 3.84Å; K276-V278 PolarHBondContact O-N 2.92Å; V278-I280 HydrophobicContact CG1-CG2 4.15Å; V278-S435 WeakPolarHBondContact O-CB 3.16Å
279T98.8Very high97.9Very high1 Ų117.4 Ų17.41%0.00610%0.096CC..EExtended strand (participates in β ladder)trans-103.5124.5175.8-57.30000110.2F241 T245 F246 H247 F433 S435F241-T279 VanDerWaalsContact CB-OG1 3.24Å; F241-T279 WeakPolarHBondContact CB-OG1 3.08Å; F241-T279 HydrophobicContact CD1-CG2 4.15Å; F241-T279 HydrophobicContact CD2-CG2 4.22Å; F241-T279 HydrophobicContact CE1-CG2 4.39Å; F241-T279 HydrophobicContact CE2-CG2 4.47Å; F241-T279 HydrophobicContact CG-CG2 4.08Å; T245-T279 PolarHBondContact O-N 2.85Å; F246-T279 CarbonylContact C-O 3.52Å; F246-T279 WeakPolarHBondContact CA-O 3.38Å; F246-T279 HydrophobicContact CD2-CG2 3.84Å; F246-T279 HydrophobicContact CE2-CG2 4.34Å; H247-T279 PolarHBondContact N-O 3.25Å; T279-F433 HydrophobicContact CG2-CB 4.07Å; T279-F433 HydrophobicContact CG2-CD2 4.16Å; T279-S435 WeakPolarHBondContact OG1-CB 3.34Å
280I98.9Very high97.9Very high0 Ų017.4 Ų17.40%010%0.096CC..EExtended strand (participates in β ladder)trans-111.9146176.359170.7000110.4H247 M260 I271 T273 V278 G301 A302 F433 I434H247-I280 HydrophobicContact CB-CG2 4.45Å; H247-I280 CarbonylContact O-C 3.5Å; H247-I280 VanDerWaalsContact O-CA 3.26Å; H247-I280 WeakPolarHBondContact O-CA 3.1Å; M260-I280 HydrophobicContact CG-CG2 4.42Å; I271-I280 HydrophobicContact CD1-CB 4.28Å; I271-I280 HydrophobicContact CD1-CG2 3.7Å; I271-I280 HydrophobicContact CG1-CB 4.43Å; I271-I280 HydrophobicContact CG1-CG2 3.97Å; I271-I280 HydrophobicContact CG2-CB 3.77Å; I271-I280 HydrophobicContact CG2-CD1 4.17Å; I271-I280 HydrophobicContact CG2-CG1 4.44Å; I271-I280 HydrophobicContact CG2-CG2 4.27Å; I271-I280 WeakPolarHBondContact O-CD1 3.18Å; T273-I280 HydrophobicContact CG2-CD1 4.02Å; T273-I280 HydrophobicContact CG2-CG1 4.35Å; T273-I280 HydrophobicContact CG2-CG2 4.04Å; V278-I280 HydrophobicContact CG1-CG2 4.15Å; I280-G301 VanDerWaalsContact CD1-CA 3.48Å; I280-A302 HydrophobicContact CD1-CB 4.33Å; I280-A302 HydrophobicContact CG1-CB 4.27Å; I280-F433 CarbonylContact O-C 3.49Å; I280-F433 VanDerWaalsContact O-CA 3.3Å; I280-F433 WeakPolarHBondContact O-CA 3.23Å; I280-I434 HydrophobicContact CD1-CG2 4.1Å; I280-I434 HydrophobicContact CG1-CG2 3.72Å; I280-I434 WeakPolarHBondContact CG1-O 3.36Å; I280-I434 PolarHBondContact N-O 3.25Å; I280-I434 PolarHBondContact O-N 2.72Å
281A98.8Very high97.9Very high0 Ų017.4 Ų17.40%010%0.096CC..EExtended strand (participates in β ladder)trans-144.4148.1-17500000114.5F246 H247 R248 V249 I431 G432 F433F246-A281 HydrophobicContact CE2-CB 3.48Å; F246-A281 VanDerWaalsContact CE2-CB 3.48Å; F246-A281 HydrophobicContact CZ-CB 3.51Å; H247-A281 PolarHBondContact O-N 3.11Å; R248-A281 WeakPolarHBondContact CA-O 3.48Å; V249-A281 PolarHBondContact N-O 2.81Å; A281-I431 HydrophobicContact CB-CB 4.46Å; A281-I431 HydrophobicContact CB-CD1 3.99Å; A281-G432 CarbonylContact C-O 3.37Å; A281-G432 WeakPolarHBondContact CA-O 3.38Å; A281-G432 WeakPolarHBondContact CB-O 3.33Å; A281-F433 HydrophobicContact CB-CB 3.97Å
282A98.6Very high97.9Very high0 Ų017.4 Ų17.40%010%0.096CC..EExtended strand (participates in β ladder)trans-115.6126.4170.200000110.1V249 P289 A302 A303 H304 I431 G432V249-A282 HydrophobicContact CG2-CB 4.41Å; A282-P289 HydrophobicContact CB-CB 4.22Å; A282-A302 HydrophobicContact CB-CB 4.12Å; A282-A303 VanDerWaalsContact CB-O 3.25Å; A282-A303 WeakPolarHBondContact CB-O 3.25Å; A282-H304 HydrophobicContact CB-CB 4.5Å; A282-I431 CarbonylContact O-C 3.44Å; A282-I431 WeakPolarHBondContact O-CA 3.28Å; A282-G432 PolarHBondContact N-O 3.33Å; A282-G432 PolarHBondContact O-N 2.95Å
283P97.7Very high97.9Very high6 Ų617.4 Ų17.44%0.03910%0.096CC..EExtended strand (participates in β ladder)trans-77.5150.2176.432.5-33.4000111.6R248 V249 I251 H304 T429 Q430 I431R248-P283 HydrophobicContact CG-CG 4.39Å; V249-P283 HydrophobicContact CG2-CG 4.2Å; I251-P283 HydrophobicContact CD1-CB 4.42Å; I251-P283 HydrophobicContact CD1-CG 3.24Å; I251-P283 HydrophobicContact CG1-CG 3.97Å; P283-H304 PolarHBondContact O-ND1 3.13Å; P283-T429 HydrophobicContact CB-CG2 3.47Å; P283-T429 VanDerWaalsContact CB-CG2 3.47Å; P283-Q430 CarbonylContact C-O 3.44Å; P283-Q430 WeakPolarHBondContact CA-O 3.35Å; P283-I431 HydrophobicContact CB-CG2 4.28Å
284G93.6Very high97.9Very high2 Ų217.4 Ų17.42%0.02110%0.096CC..EExtended strand (participates in β ladder)trans-139.7141.9178.200000111.1Q430G284-Q430 PolarHBondContact N-O 3.18Å; G284-Q430 WeakPolarHBondContact O-CG 3.39Å; G284-Q430 PolarHBondContact O-N 2.86Å; G284-Q430 VanDerWaalsContact O-N 3.1Å; G284-Q430 PolarHBondContact O-NE2 3.41Å; G284-Q430 VanDerWaalsContact O-O 3.07Å; G284-Q430 PolarHBondContact O-OE1 3.13Å
285A95.4Very high97.9Very high11 Ų1115.3 Ų15.39%0.0919%0.086CC..SBendtrans-163.458.3166.200000107H420 F427A285-H420 PolarHBondContact O-N 3.03Å; A285-F427 HydrophobicContact CB-CD2 3.38Å; A285-F427 HydrophobicContact CB-CE2 3.38Å
286D97.9Very high97.9Very high11 Ų1116 Ų166%0.05910%0.096CC..SBendtrans111.1-43.7-173.7-59.8-31.9000114.5S340 V341 T410 S419 H420 F421D286-S340 CarbonylContact O-C 3.59Å; D286-S340 WeakPolarHBondContact O-CA 3.3Å; D286-S340 VanDerWaalsContact O-CB 3.29Å; D286-S340 WeakPolarHBondContact O-CB 3.5Å; D286-V341 HydrophobicContact CB-CB 3.69Å; D286-V341 HydrophobicContact CB-CG1 3.75Å; D286-V341 PolarHBondContact O-N 2.9Å; D286-T410 PolarHBondContact OD1-OG1 2.87Å; D286-S419 VanDerWaalsContact CG-OG 3.23Å; D286-S419 WeakPolarHBondContact OD1-CA 3.17Å; D286-S419 VanDerWaalsContact OD1-CB 3.23Å; D286-S419 WeakPolarHBondContact OD1-CB 3.48Å; D286-S419 PolarHBondContact OD1-OG 2.91Å; D286-S419 PolarHBondContact OD2-OG 3.48Å; D286-H420 PolarHBondContact OD2-N 3.29Å; D286-F421 WeakPolarHBondContact OD2-CA 3.17Å; D286-F421 WeakPolarHBondContact OD2-CB 3.39Å; D286-F421 PolarHBondContact OD2-N 2.97Å
287C97.8Very high98Very high27 Ų2717.2 Ų17.218%0.18210%0.098CC..SBendtrans-63.7150.3167.8-62.60000109.9P289 H304 G306C287-P289 WeakPolarHBondContact O-CD 3.39Å; C287-H304 WeakPolarHBondContact CB-CE1 3.42Å; C287-G306 WeakPolarHBondContact SG-CA 3.36Å
288I98.6Very high98.1Very high1 Ų121.1 Ų21.11%0.00511%0.108CC..EExtended strand (participates in β ladder)trans-81.4116.8-173.5-46.6168.1000109.5V290 S305 L337 L376 R377I288-V290 HydrophobicContact CB-CG2 4.23Å; I288-V290 HydrophobicContact CG2-CG2 3.78Å; I288-V290 PolarHBondContact O-N 2.98Å; I288-S305 PolarHBondContact N-O 2.82Å; I288-S305 PolarHBondContact O-N 2.81Å; I288-L337 HydrophobicContact CD1-CD2 4.37Å; I288-L337 HydrophobicContact CG2-CB 3.92Å; I288-L337 HydrophobicContact CG2-CD2 4.33Å; I288-L337 HydrophobicContact CG2-CG 3.95Å; I288-L376 HydrophobicContact CD1-CB 3.82Å; I288-L376 HydrophobicContact CG1-CB 4.49Å; I288-R377 HydrophobicContact CD1-CG 4.18Å
289P98.6Very high98.2Very high2 Ų220.5 Ų20.51%0.01310%0.104CC..EExtended strand (participates in β ladder)trans-74.6119.7160.331.2-29.9000108F197 A282 C287 G338 P339F197-P289 HydrophobicContact CD1-CB 4.21Å; F197-P289 HydrophobicContact CD1-CG 3.77Å; F197-P289 HydrophobicContact CE1-CB 4.03Å; F197-P289 HydrophobicContact CE1-CG 3.87Å; F197-P289 WeakPolarHBondContact CE1-O 3.39Å; A282-P289 HydrophobicContact CB-CB 4.22Å; C287-P289 WeakPolarHBondContact O-CD 3.39Å; P289-G338 PolarHBondContact O-N 3.07Å; P289-P339 VanDerWaalsContact CD-O 3.3Å; P289-P339 WeakPolarHBondContact CD-O 3.3Å
290V98.9Very high98.2Very high0 Ų020.5 Ų20.50%010%0.104CC..EExtended strand (participates in β ladder)trans-110128.1179.2-168.40000108.5I288 F292 A302 A303 V335 V336 L337I288-V290 HydrophobicContact CB-CG2 4.23Å; I288-V290 HydrophobicContact CG2-CG2 3.78Å; I288-V290 PolarHBondContact O-N 2.98Å; V290-F292 HydrophobicContact CB-CE2 3.8Å; V290-F292 HydrophobicContact CB-CZ 3.92Å; V290-F292 HydrophobicContact CG1-CD2 4.35Å; V290-F292 HydrophobicContact CG1-CE1 3.98Å; V290-F292 HydrophobicContact CG1-CE2 3.56Å; V290-F292 HydrophobicContact CG1-CZ 3.32Å; V290-A302 CarbonylContact O-C 3.5Å; V290-A302 WeakPolarHBondContact O-CA 3.11Å; V290-A303 HydrophobicContact CB-CB 4.47Å; V290-A303 PolarHBondContact N-O 3.29Å; V290-A303 PolarHBondContact O-N 2.84Å; V290-V335 HydrophobicContact CG1-CG1 3.48Å; V290-V335 VanDerWaalsContact CG1-CG1 3.48Å; V290-V336 WeakPolarHBondContact CA-O 3.4Å; V290-L337 HydrophobicContact CG1-CD1 4.22Å; V290-L337 HydrophobicContact CG2-CG 4.44Å
291L98.9Very high98.2Very high0 Ų020.5 Ų20.50%010%0.104CC..EExtended strand (participates in β ladder)trans-108.4140.6175.3-58.8-179.4000109.8I188 H195 F197 A302 V335 V336 F433 I434I188-L291 HydrophobicContact CD1-CB 4.37Å; H195-L291 HydrophobicContact CB-CD1 4.18Å; F197-L291 HydrophobicContact CE1-CD1 3.84Å; F197-L291 HydrophobicContact CE1-CG 3.8Å; F197-L291 HydrophobicContact CE2-CD1 3.96Å; F197-L291 HydrophobicContact CZ-CB 4.34Å; F197-L291 HydrophobicContact CZ-CD1 3.52Å; F197-L291 HydrophobicContact CZ-CG 3.64Å; L291-A302 HydrophobicContact CD2-CB 3.88Å; L291-V335 WeakPolarHBondContact O-CA 3.39Å; L291-V336 PolarHBondContact N-O 3.02Å; L291-V336 PolarHBondContact O-N 3.15Å; L291-F433 VanDerWaalsContact CD1-O 3.29Å; L291-F433 WeakPolarHBondContact CD1-O 3.34Å; L291-I434 HydrophobicContact CD1-CB 4.48Å; L291-I434 HydrophobicContact CD2-CB 4.28Å; L291-I434 HydrophobicContact CD2-CG2 4.08Å
292F98.9Very high98.2Very high0 Ų020.5 Ų20.50%010%0.104CC..EExtended strand (participates in β ladder)trans-124.7136.2-179-54.7-97000109.2V290 C300 G301 A303 T318 V319 M322 I333 L334 V335 L384V290-F292 HydrophobicContact CB-CE2 3.8Å; V290-F292 HydrophobicContact CB-CZ 3.92Å; V290-F292 HydrophobicContact CG1-CD2 4.35Å; V290-F292 HydrophobicContact CG1-CE1 3.98Å; V290-F292 HydrophobicContact CG1-CE2 3.56Å; V290-F292 HydrophobicContact CG1-CZ 3.32Å; F292-C300 CarbonylContact O-C 3.59Å; F292-C300 WeakPolarHBondContact O-CA 3.46Å; F292-C300 VanDerWaalsContact O-CB 3.3Å; F292-C300 WeakPolarHBondContact O-CB 3.41Å; F292-G301 PolarHBondContact N-O 3.2Å; F292-G301 PolarHBondContact O-N 3.3Å; F292-A303 HydrophobicContact CE2-CB 3.77Å; F292-A303 HydrophobicContact CZ-CB 4.44Å; F292-T318 HydrophobicContact CD2-CG2 3.62Å; F292-T318 HydrophobicContact CE2-CG2 3.7Å; F292-T318 HydrophobicContact CG-CG2 4.22Å; F292-T318 HydrophobicContact CZ-CG2 4.34Å; F292-V319 HydrophobicContact CD1-CG2 3.73Å; F292-V319 HydrophobicContact CE1-CG2 3.68Å; F292-M322 HydrophobicContact CB-CE 4.34Å; F292-M322 HydrophobicContact CB-SD 3.58Å; F292-M322 VanDerWaalsContact CB-SD 3.58Å; F292-M322 HydrophobicContact CG-SD 4.38Å; F292-I333 HydrophobicContact CB-CG2 4.41Å; F292-I333 HydrophobicContact CD1-CG2 4.34Å; F292-L334 CarbonylContact C-O 3.46Å; F292-L334 VanDerWaalsContact CA-O 3.3Å; F292-L334 WeakPolarHBondContact CA-O 3.31Å; F292-V335 HydrophobicContact CD1-CB 4.38Å; F292-V335 HydrophobicContact CD1-CG1 3.95Å; F292-V335 HydrophobicContact CD1-CG2 3.73Å; F292-V335 HydrophobicContact CE1-CB 4.48Å; F292-V335 HydrophobicContact CE1-CG1 3.67Å; F292-V335 HydrophobicContact CE1-CG2 3.99Å; F292-V335 HydrophobicContact CZ-CG1 4.3Å; F292-L384 HydrophobicContact CE1-CD2 4.24Å
293A98.9Very high98.2Very high0 Ų020.5 Ų20.50%010%0.104CC..EExtended strand (participates in β ladder)trans-140.4129.5177.600000110.5I188 F193 L334 I434I188-A293 HydrophobicContact CD1-CB 4.49Å; I188-A293 HydrophobicContact CG1-CB 4.24Å; I188-A293 HydrophobicContact CG2-CB 4.24Å; F193-A293 HydrophobicContact CD2-CB 4.15Å; F193-A293 HydrophobicContact CE1-CB 4.27Å; F193-A293 HydrophobicContact CE2-CB 3.84Å; F193-A293 HydrophobicContact CZ-CB 3.91Å; A293-L334 HydrophobicContact CB-CB 4.46Å; A293-L334 PolarHBondContact N-O 3.46Å; A293-L334 PolarHBondContact O-N 2.99Å; A293-I434 HydrophobicContact CB-CD1 3.94Å
294D98.8Very high98.2Very high0 Ų020.6 Ų20.60%010%0.104CC..EExtended strand (participates in β ladder)trans-110102.8166.4-177.1-28.4000108.2V296 R297 K298 A299 M322 C328 I333D294-V296 VanDerWaalsContact C-N 3.26Å; D294-V296 PolarHBondContact O-N 2.61Å; D294-V296 WeakPolarHBondContact OD1-CA 3.39Å; D294-V296 WeakPolarHBondContact OD1-CB 3.18Å; D294-V296 PolarHBondContact OD1-N 2.73Å; D294-R297 HydrophobicContact CB-CB 4.39Å; D294-R297 PolarHBondContact OD1-N 2.83Å; D294-R297 WeakPolarHBondContact OD2-CG 3.29Å; D294-K298 VanDerWaalsContact O-CA 3.22Å; D294-K298 WeakPolarHBondContact O-CA 3.34Å; D294-K298 PolarHBondContact O-N 3.06Å; D294-A299 PolarHBondContact N-O 3.02Å; D294-A299 PolarHBondContact O-N 3.21Å; D294-M322 HydrophobicContact CB-CE 4.03Å; D294-C328 HydrophobicContact CB-CB 4.4Å; D294-C328 VanDerWaalsContact OD2-CA 3.23Å; D294-C328 WeakPolarHBondContact OD2-CA 3.2Å; D294-C328 WeakPolarHBondContact OD2-CB 3.48Å; D294-C328 PolarHBondContact OD2-SG 3.05Å; D294-I333 HydrophobicContact CB-CG1 4.19Å
295P98.6Very high98.5Very high36 Ų3620.5 Ų20.523%0.23410%0.103CC..THydrogen-bonded Turntrans-70.1-21.2-179.728.7-33.6000113.3P189 I192 F193 D332 L334P189-P295 HydrophobicContact CG-CB 3.94Å; I192-P295 HydrophobicContact CD1-CB 3.77Å; F193-P295 HydrophobicContact CE2-CB 4.18Å; P295-D332 WeakPolarHBondContact CD-O 3.47Å; P295-L334 HydrophobicContact CG-CD1 4.26Å
296V98.4Very high98.5Very high96 Ų9620 Ų2058%0.58210%0.1SC*.THydrogen-bonded Turntrans-78-49.7-179.5-178.80000110.1D294 D332D294-V296 VanDerWaalsContact C-N 3.26Å; D294-V296 PolarHBondContact O-N 2.61Å; D294-V296 WeakPolarHBondContact OD1-CA 3.39Å; D294-V296 WeakPolarHBondContact OD1-CB 3.18Å; D294-V296 PolarHBondContact OD1-N 2.73Å; V296-D332 HydrophobicContact CG2-CB 4.03Å
297R98.4Very high98.5Very high133 Ų13323.2 Ų23.250%0.50211%0.111SC..THydrogen-bonded Turntrans-85.7-11.1178.1-64.4-55.1-167.2167.81114.1D294 N327 C328D294-R297 HydrophobicContact CB-CB 4.39Å; D294-R297 PolarHBondContact OD1-N 2.83Å; D294-R297 WeakPolarHBondContact OD2-CG 3.29Å; R297-N327 PolarHBondContact NE-O 3.39Å; R297-N327 PolarHBondContact NH2-O 3.26Å; R297-C328 HydrophobicContact CG-CB 4.5Å
298K98.2Very high98.4Very high105 Ų10527 Ų2746%0.45712%0.124SC..THydrogen-bonded Turntrans53.955.7-174.5-57.2-177.5179.5-174.80110.8I192 D294 I436I192-K298 HydrophobicContact CG2-CG 4.36Å; D294-K298 VanDerWaalsContact O-CA 3.22Å; D294-K298 WeakPolarHBondContact O-CA 3.34Å; D294-K298 PolarHBondContact O-N 3.06Å; K298-I436 HydrophobicContact CB-CG2 4.49Å; K298-I436 WeakPolarHBondContact O-CD1 3.41Å
299A98.8Very high98.4Very high0 Ų026.9 Ų26.90%012%0.124CC..EExtended strand (participates in β ladder)trans-124.5151173.400000109.5T273 N274 D294 M322 Y326T273-A299 WeakPolarHBondContact O-CA 3.39Å; N274-A299 HydrophobicContact CB-CB 4.21Å; D294-A299 PolarHBondContact N-O 3.02Å; D294-A299 PolarHBondContact O-N 3.21Å; A299-M322 HydrophobicContact CB-CE 4.14Å; A299-Y326 HydrophobicContact CB-CD2 3.62Å; A299-Y326 HydrophobicContact CB-CE2 4.44Å; A299-Y326 HydrophobicContact CB-CG 4.05Å
300C98.9Very high98.4Very high0 Ų027 Ų270%012%0.124CC..EExtended strand (participates in β ladder)trans-138.6162.9175.762.50000112.1F193 V272 T273 F292 I434F193-C300 HydrophobicContact CD1-CB 4.28Å; F193-C300 HydrophobicContact CE1-CB 3.99Å; V272-C300 WeakPolarHBondContact CA-O 3.33Å; T273-C300 VanDerWaalsContact CG2-SG 3.59Å; T273-C300 PolarHBondContact N-O 2.85Å; T273-C300 PolarHBondContact O-N 3.4Å; F292-C300 CarbonylContact O-C 3.59Å; F292-C300 WeakPolarHBondContact O-CA 3.46Å; F292-C300 VanDerWaalsContact O-CB 3.3Å; F292-C300 WeakPolarHBondContact O-CB 3.41Å; C300-I434 HydrophobicContact CB-CD1 3.8Å; C300-I434 HydrophobicContact CB-CG1 3.88Å; C300-I434 HydrophobicContact CB-CG2 3.92Å
301G98.9Very high98.3Very high0 Ų029.8 Ų29.80%014%0.139CC..EExtended strand (participates in β ladder)trans-142.6156.3177.400000112I271 I280 F292 I434I271-G301 CarbonylContact O-C 3.59Å; I271-G301 WeakPolarHBondContact O-CA 3.35Å; I280-G301 VanDerWaalsContact CD1-CA 3.48Å; F292-G301 PolarHBondContact N-O 3.2Å; F292-G301 PolarHBondContact O-N 3.3Å; G301-I434 WeakPolarHBondContact O-CG2 3.27Å
302A98.9Very high98.3Very high0 Ų034.3 Ų34.30%016%0.163CC..EExtended strand (participates in β ladder)trans-135.3135.816900000109.1G270 I271 I280 A282 V290 L291G270-A302 CarbonylContact C-O 3.59Å; G270-A302 WeakPolarHBondContact CA-O 3.42Å; I271-A302 HydrophobicContact CG2-CB 4.07Å; I271-A302 PolarHBondContact N-O 3.34Å; I271-A302 PolarHBondContact O-N 3.44Å; I280-A302 HydrophobicContact CD1-CB 4.33Å; I280-A302 HydrophobicContact CG1-CB 4.27Å; A282-A302 HydrophobicContact CB-CB 4.12Å; V290-A302 CarbonylContact O-C 3.5Å; V290-A302 WeakPolarHBondContact O-CA 3.11Å; L291-A302 HydrophobicContact CD2-CB 3.88Å
303A98.9Very high98.2Very high0 Ų035.3 Ų35.30%017%0.172CC..EExtended strand (participates in β ladder)trans-134.9141178.100000112.8D269 A282 V290 F292 V314D269-A303 CarbonylContact O-C 3.47Å; D269-A303 VanDerWaalsContact O-CA 3.23Å; D269-A303 WeakPolarHBondContact O-CA 3.21Å; A282-A303 VanDerWaalsContact CB-O 3.25Å; A282-A303 WeakPolarHBondContact CB-O 3.25Å; V290-A303 HydrophobicContact CB-CB 4.47Å; V290-A303 PolarHBondContact N-O 3.29Å; V290-A303 PolarHBondContact O-N 2.84Å; F292-A303 HydrophobicContact CE2-CB 3.77Å; F292-A303 HydrophobicContact CZ-CB 4.44Å; A303-V314 HydrophobicContact CB-CG2 4.3Å
304H98.8Very high98.2Very high8 Ų835.3 Ų35.34%0.03717%0.172CC..EExtended strand (participates in β ladder)trans-90.5107.8167.717588.4000109.1V249 I251 H253 D269 A282 P283 C287V249-H304 HydrophobicContact CG2-CB 4.05Å; I251-H304 HydrophobicContact CG1-CB 4.22Å; H253-H304 AromaticContact CE1-NE2 3.24Å; H253-H304 PolarHBondContact CE1-NE2 2.97Å; H253-H304 AromaticContact ND1-CD2 3.72Å; H253-H304 AromaticContact ND1-NE2 3.04Å; H253-H304 PolarHBondContact ND1-NE2 2.98Å; D269-H304 PolarHBondContact O-N 3.07Å; D269-H304 IonicContact OD1-CD2 3.84Å; D269-H304 PolarHBondContact OD1-CD2 2.91Å; D269-H304 VanDerWaalsContact OD1-CD2 3.23Å; D269-H304 IonicContact OD1-CG 3.68Å; A282-H304 HydrophobicContact CB-CB 4.5Å; P283-H304 PolarHBondContact O-ND1 3.13Å; C287-H304 WeakPolarHBondContact CB-CE1 3.42Å
305S98.1Very high98.2Very high0 Ų035.6 Ų35.60%018%0.175CC..EExtended strand (participates in β ladder)trans-109.585.3179.8-159.90000110.5I288 T310I288-S305 PolarHBondContact N-O 2.82Å; I288-S305 PolarHBondContact O-N 2.81Å; S305-T310 PolarHBondContact OG-OG1 2.64Å
306G96.8Very high98.2Very high2 Ų234.9 Ų34.92%0.02117%0.169CC..  trans-76.5177.1163.400000111.8C287 K308 G309 T310C287-G306 WeakPolarHBondContact SG-CA 3.36Å; G306-K308 VanDerWaalsContact C-N 3.31Å; G306-K308 PolarHBondContact O-N 2.99Å; G306-G309 PolarHBondContact O-N 2.88Å; G306-G309 VanDerWaalsContact O-N 3.16Å; G306-T310 PolarHBondContact O-N 3.37Å; G306-T310 PolarHBondContact O-OG1 3.09Å
307W96.8Very high98.2Very high77 Ų7731.6 Ų31.629%0.29215%0.151SC..Hα-helixtrans-57.7-40.6-177.274.5-87.7000113.4L311 Y346 L348 F356 L376W307-L311 HydrophobicContact CE3-CD1 4.11Å; W307-L311 HydrophobicContact CZ3-CD1 4.24Å; W307-L311 WeakPolarHBondContact O-CG 3.16Å; W307-L311 PolarHBondContact O-N 2.82Å; W307-Y346 HydrophobicContact CB-CE1 4.29Å; W307-Y346 VanDerWaalsContact CD1-OH 3.25Å; W307-L348 HydrophobicContact CB-CD1 4.08Å; W307-L348 HydrophobicContact CD2-CD1 4.19Å; W307-L348 HydrophobicContact CD2-CD2 4.5Å; W307-L348 HydrophobicContact CE3-CD1 4.19Å; W307-L348 HydrophobicContact CG-CD1 4.19Å; W307-L348 HydrophobicContact CG-CD2 4.44Å; W307-F356 HydrophobicContact CB-CE2 4.46Å; W307-F356 HydrophobicContact CB-CZ 4Å; W307-F356 HydrophobicContact CE3-CE2 4.42Å; W307-L376 HydrophobicContact CB-CD1 4.31Å; W307-L376 HydrophobicContact CB-CD2 3.8Å
308K97.2Very high98.2Very high106 Ų10625.2 Ų25.246%0.46113%0.127SC..Hα-helixtrans-66.6-49.5174.8-65-173.3-177.5178.10111.4H253 G306 T310 L311 L312H253-K308 WeakPolarHBondContact O-CB 3.48Å; G306-K308 VanDerWaalsContact C-N 3.31Å; G306-K308 PolarHBondContact O-N 2.99Å; K308-T310 VanDerWaalsContact C-N 3.29Å; K308-T310 PolarHBondContact O-N 3.26Å; K308-L311 PolarHBondContact O-N 3.17Å; K308-L311 VanDerWaalsContact O-N 3.11Å; K308-L312 WeakPolarHBondContact O-CG 3.41Å; K308-L312 PolarHBondContact O-N 3.29Å
309G97.5Very high98.3Very high0 Ų020.2 Ų20.20%011%0.105CC..Hα-helixtrans-58.6-38.1178.500000113G254 G306 L312 G313 V314G254-G309 WeakPolarHBondContact O-CA 3.48Å; G306-G309 PolarHBondContact O-N 2.88Å; G306-G309 VanDerWaalsContact O-N 3.16Å; G309-L312 CarbonylContact O-C 3.53Å; G309-L312 PolarHBondContact O-N 2.98Å; G309-G313 PolarHBondContact O-N 2.74Å; G309-V314 WeakPolarHBondContact O-CG1 3.21Å; G309-V314 PolarHBondContact O-N 3.4Å
310T98.1Very high98.3Very high3 Ų324.6 Ų24.62%0.01813%0.129CC..Hα-helixtrans-60.4-48.7173.2-65.20000111S305 G306 K308 L312 G313 F356 A379 T380 L383S305-T310 PolarHBondContact OG-OG1 2.64Å; G306-T310 PolarHBondContact O-N 3.37Å; G306-T310 PolarHBondContact O-OG1 3.09Å; K308-T310 VanDerWaalsContact C-N 3.29Å; K308-T310 PolarHBondContact O-N 3.26Å; T310-L312 VanDerWaalsContact C-N 3.32Å; T310-L312 PolarHBondContact O-N 2.99Å; T310-G313 PolarHBondContact O-N 2.84Å; T310-G313 VanDerWaalsContact O-N 3.11Å; T310-F356 HydrophobicContact CG2-CE1 4.04Å; T310-A379 HydrophobicContact CG2-CB 3.99Å; T310-T380 PolarHBondContact OG1-OG1 2.82Å; T310-L383 HydrophobicContact CG2-CD1 4.23Å; T310-L383 WeakPolarHBondContact O-CD1 3.22Å
311L97.7Very high98.3Very high60 Ų6025.1 Ų25.131%0.31413%0.133SC..Hα-helixtrans-66.7-32.8178.1-65.4179.2000112.8W307 K308 G313 E355 F356 I359W307-L311 HydrophobicContact CE3-CD1 4.11Å; W307-L311 HydrophobicContact CZ3-CD1 4.24Å; W307-L311 WeakPolarHBondContact O-CG 3.16Å; W307-L311 PolarHBondContact O-N 2.82Å; K308-L311 PolarHBondContact O-N 3.17Å; K308-L311 VanDerWaalsContact O-N 3.11Å; L311-G313 PolarHBondContact O-N 3.36Å; L311-E355 HydrophobicContact CD1-CB 3.8Å; L311-E355 HydrophobicContact CD1-CG 4.2Å; L311-E355 HydrophobicContact CD2-CB 3.74Å; L311-E355 HydrophobicContact CG-CB 4.43Å; L311-F356 HydrophobicContact CD1-CE2 3.94Å; L311-F356 HydrophobicContact CD1-CZ 4.02Å; L311-F356 HydrophobicContact CD2-CD1 4.07Å; L311-F356 HydrophobicContact CD2-CD2 4.4Å; L311-F356 HydrophobicContact CD2-CE1 3.8Å; L311-F356 HydrophobicContact CD2-CE2 4.14Å; L311-F356 HydrophobicContact CD2-CG 4.36Å; L311-F356 HydrophobicContact CD2-CZ 3.83Å; L311-F356 HydrophobicContact CG-CE1 4.1Å; L311-F356 HydrophobicContact CG-CE2 4.11Å; L311-F356 HydrophobicContact CG-CZ 3.71Å; L311-I359 HydrophobicContact CD2-CD1 3.82Å
312L98.1Very high98.3Very high95 Ų9525.1 Ų25.150%0.49713%0.133SC..THydrogen-bonded Turntrans-78.4-5.6174.5-66172.8000113.1N255 K308 G309 T310N255-L312 HydrophobicContact CB-CB 3.86Å; N255-L312 PolarHBondContact ND2-O 3.46Å; K308-L312 WeakPolarHBondContact O-CG 3.41Å; K308-L312 PolarHBondContact O-N 3.29Å; G309-L312 CarbonylContact O-C 3.53Å; G309-L312 PolarHBondContact O-N 2.98Å; T310-L312 VanDerWaalsContact C-N 3.32Å; T310-L312 PolarHBondContact O-N 2.99Å
313G97.9Very high98.3Very high20 Ų2027.4 Ų27.421%0.20615%0.147CC..THydrogen-bonded Turntrans75.730.7175.400000115.2G309 T310 L311 S315 M316 A317G309-G313 PolarHBondContact O-N 2.74Å; T310-G313 PolarHBondContact O-N 2.84Å; T310-G313 VanDerWaalsContact O-N 3.11Å; L311-G313 PolarHBondContact O-N 3.36Å; G313-S315 PolarHBondContact O-N 2.81Å; G313-S315 VanDerWaalsContact O-N 3.16Å; G313-M316 PolarHBondContact O-N 2.93Å; G313-A317 PolarHBondContact O-N 3.36Å
314V98.8Very high98.3Very high0 Ų031.1 Ų31.10%017%0.173CC..Hα-helixtrans-53.9-37-178.367.80000113.7N255 D269 A303 G309 M316 A317 T318N255-V314 HydrophobicContact CB-CB 4.01Å; N255-V314 HydrophobicContact CB-CG2 4.46Å; D269-V314 HydrophobicContact CB-CG2 3.79Å; A303-V314 HydrophobicContact CB-CG2 4.3Å; G309-V314 WeakPolarHBondContact O-CG1 3.21Å; G309-V314 PolarHBondContact O-N 3.4Å; V314-M316 PolarHBondContact O-N 3.32Å; V314-A317 PolarHBondContact O-N 3.11Å; V314-T318 WeakPolarHBondContact O-CB 3.17Å; V314-T318 PolarHBondContact O-N 3.39Å; V314-T318 PolarHBondContact O-OG1 3.01Å
315S98.7Very high98.2Very high7 Ų733.9 Ų33.95%0.04919%0.186CC..Hα-helixtrans-63.7-43177.8-64.90000111.4G313 T318 V319G313-S315 PolarHBondContact O-N 2.81Å; G313-S315 VanDerWaalsContact O-N 3.16Å; S315-T318 WeakPolarHBondContact O-CB 3.17Å; S315-T318 PolarHBondContact O-N 3.33Å; S315-V319 WeakPolarHBondContact O-CG2 3.25Å; S315-V319 PolarHBondContact O-N 2.75Å; S315-V319 VanDerWaalsContact O-N 3.11Å
316M98.5Very high98.3Very high21 Ų2135 Ų3510%0.10319%0.19CC..Hα-helixtrans-74.5-32.6175.7-78.8-53.1-49.400113G313 V314 T318 V319 N320 L384 S387G313-M316 PolarHBondContact O-N 2.93Å; V314-M316 PolarHBondContact O-N 3.32Å; M316-T318 PolarHBondContact O-N 3.48Å; M316-V319 HydrophobicContact CE-CB 4.01Å; M316-V319 HydrophobicContact CE-CG1 3.82Å; M316-V319 PolarHBondContact O-N 2.94Å; M316-V319 HydrophobicContact SD-CB 4.3Å; M316-V319 HydrophobicContact SD-CG1 4.48Å; M316-V319 HydrophobicContact SD-CG2 4.33Å; M316-N320 WeakPolarHBondContact O-CB 3.3Å; M316-N320 PolarHBondContact O-N 3.1Å; M316-N320 PolarHBondContact O-ND2 3.23Å; M316-L384 HydrophobicContact CG-CD2 4.42Å; M316-L384 HydrophobicContact SD-CD2 3.74Å; M316-S387 WeakPolarHBondContact SD-CB 3.44Å
317A98.8Very high98.3Very high26 Ų2640 Ų4022%0.21522%0.216CC..Hα-helixtrans-59.4-39.3170.800000111.1N255 V257 G313 V314 N320 A321N255-A317 WeakPolarHBondContact O-CB 3.27Å; V257-A317 HydrophobicContact CG2-CB 3.84Å; G313-A317 PolarHBondContact O-N 3.36Å; V314-A317 PolarHBondContact O-N 3.11Å; A317-N320 PolarHBondContact O-N 2.93Å; A317-A321 PolarHBondContact O-N 3.22Å
318T98.9Very high98.4Very high0 Ų036.6 Ų36.60%020%0.204CC..Hα-helixtrans-66-46.2176.8-54.30000111.2V272 F292 V314 S315 M316 N320 A321 M322V272-T318 HydrophobicContact CG1-CG2 3.58Å; F292-T318 HydrophobicContact CD2-CG2 3.62Å; F292-T318 HydrophobicContact CE2-CG2 3.7Å; F292-T318 HydrophobicContact CG-CG2 4.22Å; F292-T318 HydrophobicContact CZ-CG2 4.34Å; V314-T318 WeakPolarHBondContact O-CB 3.17Å; V314-T318 PolarHBondContact O-N 3.39Å; V314-T318 PolarHBondContact O-OG1 3.01Å; S315-T318 WeakPolarHBondContact O-CB 3.17Å; S315-T318 PolarHBondContact O-N 3.33Å; M316-T318 PolarHBondContact O-N 3.48Å; T318-N320 PolarHBondContact O-N 3.11Å; T318-A321 PolarHBondContact O-N 3.34Å; T318-M322 WeakPolarHBondContact O-CG 3.46Å; T318-M322 PolarHBondContact O-N 3.36Å; T318-M322 VanDerWaalsContact O-N 3.1Å
319V98.9Very high98.5Very high0 Ų035.2 Ų35.20%020%0.202CC..Hα-helixtrans-56.9-48.1172.7167.90000111.3F292 S315 M316 A321 M322 V323 V330 I333 L384 I389F292-V319 HydrophobicContact CD1-CG2 3.73Å; F292-V319 HydrophobicContact CE1-CG2 3.68Å; S315-V319 WeakPolarHBondContact O-CG2 3.25Å; S315-V319 PolarHBondContact O-N 2.75Å; S315-V319 VanDerWaalsContact O-N 3.11Å; M316-V319 HydrophobicContact CE-CB 4.01Å; M316-V319 HydrophobicContact CE-CG1 3.82Å; M316-V319 PolarHBondContact O-N 2.94Å; M316-V319 HydrophobicContact SD-CB 4.3Å; M316-V319 HydrophobicContact SD-CG1 4.48Å; M316-V319 HydrophobicContact SD-CG2 4.33Å; V319-A321 VanDerWaalsContact C-N 3.3Å; V319-A321 PolarHBondContact O-N 3.05Å; V319-M322 WeakPolarHBondContact O-CB 3.44Å; V319-M322 PolarHBondContact O-N 2.87Å; V319-M322 VanDerWaalsContact O-N 3.11Å; V319-V323 HydrophobicContact CG1-CG2 4.36Å; V319-V323 WeakPolarHBondContact O-CG2 3.03Å; V319-V323 PolarHBondContact O-N 2.91Å; V319-V330 HydrophobicContact CG1-CG1 4.43Å; V319-V330 HydrophobicContact CG1-CG2 4.2Å; V319-I333 HydrophobicContact CG1-CD1 3.89Å; V319-L384 HydrophobicContact CG2-CD2 4.24Å; V319-I389 HydrophobicContact CG1-CD1 4.09Å; V319-I389 HydrophobicContact CG2-CD1 4Å; V319-I389 HydrophobicContact CG2-CG1 4.49Å
320N98.8Very high98.5Very high92 Ų9236.7 Ų36.749%0.49221%0.211SC..Hα-helixtrans-61-39.5-179.5-71.2-20.9000111.8M316 A317 T318 V323 S324M316-N320 WeakPolarHBondContact O-CB 3.3Å; M316-N320 PolarHBondContact O-N 3.1Å; M316-N320 PolarHBondContact O-ND2 3.23Å; A317-N320 PolarHBondContact O-N 2.93Å; T318-N320 PolarHBondContact O-N 3.11Å; N320-V323 PolarHBondContact O-N 3.39Å; N320-S324 WeakPolarHBondContact O-CB 3.24Å; N320-S324 PolarHBondContact O-N 3.35Å; N320-S324 PolarHBondContact O-OG 3.36Å; N320-S324 VanDerWaalsContact O-OG 3.11Å
321A98.8Very high98.6Very high10 Ų1042.4 Ų42.48%0.08324%0.235CC..Hα-helixtrans-63.3-41.7174.700000111.8V257 I259 V272 A317 T318 V319 V323 S324 E325V257-A321 HydrophobicContact CB-CB 4.38Å; V257-A321 HydrophobicContact CG1-CB 3.82Å; I259-A321 HydrophobicContact CG1-CB 4.37Å; V272-A321 HydrophobicContact CG1-CB 4.26Å; V272-A321 HydrophobicContact CG2-CB 3.98Å; A317-A321 PolarHBondContact O-N 3.22Å; T318-A321 PolarHBondContact O-N 3.34Å; V319-A321 VanDerWaalsContact C-N 3.3Å; V319-A321 PolarHBondContact O-N 3.05Å; A321-V323 PolarHBondContact O-N 3.35Å; A321-S324 PolarHBondContact O-N 3.48Å; A321-S324 PolarHBondContact O-OG 2.79Å; A321-E325 WeakPolarHBondContact O-CB 3.47Å; A321-E325 WeakPolarHBondContact O-CG 3.35Å; A321-E325 PolarHBondContact O-N 2.79Å
322M98.9Very high98.6Very high0 Ų042.2 Ų42.20%024%0.235CC..Hα-helixtrans-62.1-43174.5-66176.164.900111.8V272 F292 D294 A299 T318 V319 Y326 C328 I333V272-M322 HydrophobicContact CB-CG 4.1Å; V272-M322 HydrophobicContact CG1-CG 3.69Å; F292-M322 HydrophobicContact CB-CE 4.34Å; F292-M322 HydrophobicContact CB-SD 3.58Å; F292-M322 VanDerWaalsContact CB-SD 3.58Å; F292-M322 HydrophobicContact CG-SD 4.38Å; D294-M322 HydrophobicContact CB-CE 4.03Å; A299-M322 HydrophobicContact CB-CE 4.14Å; T318-M322 WeakPolarHBondContact O-CG 3.46Å; T318-M322 PolarHBondContact O-N 3.36Å; T318-M322 VanDerWaalsContact O-N 3.1Å; V319-M322 WeakPolarHBondContact O-CB 3.44Å; V319-M322 PolarHBondContact O-N 2.87Å; V319-M322 VanDerWaalsContact O-N 3.11Å; M322-Y326 WeakPolarHBondContact O-CA 3.46Å; M322-Y326 WeakPolarHBondContact O-CB 3.19Å; M322-Y326 PolarHBondContact O-N 2.9Å; M322-C328 HydrophobicContact CB-CB 4.12Å; M322-C328 PolarHBondContact O-N 2.81Å; M322-C328 PolarHBondContact O-SG 2.82Å; M322-I333 HydrophobicContact CB-CD1 4.33Å; M322-I333 HydrophobicContact CE-CD1 4.47Å; M322-I333 HydrophobicContact CE-CG1 4.38Å
323V98.8Very high98.6Very high48 Ų4837.7 Ų37.729%0.29121%0.211SC..Hα-helixtrans-64.5-47.4178.41730000111.3V319 N320 A321 N327 C328 V330 I333V319-V323 HydrophobicContact CG1-CG2 4.36Å; V319-V323 WeakPolarHBondContact O-CG2 3.03Å; V319-V323 PolarHBondContact O-N 2.91Å; N320-V323 PolarHBondContact O-N 3.39Å; A321-V323 PolarHBondContact O-N 3.35Å; V323-N327 VanDerWaalsContact O-CA 3.25Å; V323-N327 WeakPolarHBondContact O-CA 3.23Å; V323-N327 PolarHBondContact O-N 2.87Å; V323-C328 HydrophobicContact CG2-CB 4.33Å; V323-C328 WeakPolarHBondContact CG2-O 3.49Å; V323-V330 HydrophobicContact CG2-CG2 3.63Å; V323-I333 HydrophobicContact CG2-CD1 4.21Å
324S98.5Very high98.7Very high78 Ų7837.6 Ų37.655%0.54521%0.206SC..Hα-helixtrans-72.8-36.2-175.5650000113N320 A321N320-S324 WeakPolarHBondContact O-CB 3.24Å; N320-S324 PolarHBondContact O-N 3.35Å; N320-S324 PolarHBondContact O-OG 3.36Å; N320-S324 VanDerWaalsContact O-OG 3.11Å; A321-S324 PolarHBondContact O-N 3.48Å; A321-S324 PolarHBondContact O-OG 2.79Å
325E98.4Very high98.7Very high66 Ų6637.6 Ų37.631%0.30821%0.206SC..Hα-helixtrans-94.8-32.4-172.3-59.5-61.4154.600113.5I259 K262 A321I259-E325 HydrophobicContact CD1-CG 3.58Å; I259-E325 HydrophobicContact CG1-CG 3.95Å; I259-E325 HydrophobicContact CG2-CB 4.27Å; I259-E325 HydrophobicContact CG2-CG 3.88Å; K262-E325 WeakPolarHBondContact CE-OE2 3.36Å; K262-E325 IonicContact NZ-OE1 2.77Å; K262-E325 PolarHBondContact NZ-OE1 3.11Å; K262-E325 IonicContact NZ-OE2 3.5Å; K262-E325 PolarHBondContact NZ-OE2 2.93Å; A321-E325 WeakPolarHBondContact O-CB 3.47Å; A321-E325 WeakPolarHBondContact O-CG 3.35Å; A321-E325 PolarHBondContact O-N 2.79Å
326Y98.5Very high98.7Very high24 Ų2437.3 Ų37.39%0.09420%0.203CC..Hα-helixtrans-119.57.4-173.5-49-45.7000112.8V272 T273 N274 A299 M322 C328V272-Y326 HydrophobicContact CB-CE2 3.99Å; V272-Y326 HydrophobicContact CG2-CE2 3.85Å; V272-Y326 PolarHBondContact O-OH 3.46Å; T273-Y326 WeakPolarHBondContact CA-OH 3.5Å; N274-Y326 HydrophobicContact CB-CD1 3.8Å; N274-Y326 HydrophobicContact CB-CD2 4.32Å; N274-Y326 HydrophobicContact CB-CE1 3.95Å; N274-Y326 HydrophobicContact CB-CE2 4.44Å; N274-Y326 HydrophobicContact CB-CG 4.01Å; N274-Y326 WeakPolarHBondContact ND2-CD1 3.49Å; A299-Y326 HydrophobicContact CB-CD2 3.62Å; A299-Y326 HydrophobicContact CB-CE2 4.44Å; A299-Y326 HydrophobicContact CB-CG 4.05Å; M322-Y326 WeakPolarHBondContact O-CA 3.46Å; M322-Y326 WeakPolarHBondContact O-CB 3.19Å; M322-Y326 PolarHBondContact O-N 2.9Å; Y326-C328 PolarHBondContact O-N 3.1Å; Y326-C328 VanDerWaalsContact O-N 3.16Å
327N98.5Very high98.7Very high106 Ų10636.3 Ų36.357%0.56720%0.198SC*.  trans56.130.2-179.7-60.350.6000112.3R297 V323R297-N327 PolarHBondContact NE-O 3.39Å; R297-N327 PolarHBondContact NH2-O 3.26Å; V323-N327 VanDerWaalsContact O-CA 3.25Å; V323-N327 WeakPolarHBondContact O-CA 3.23Å; V323-N327 PolarHBondContact O-N 2.87Å
328C98.8Very high98.7Very high6 Ų635 Ų354%0.04119%0.188CC..  trans-57.1146.2171.2-67.40000110.3D294 R297 M322 V323 Y326 I333D294-C328 HydrophobicContact CB-CB 4.4Å; D294-C328 VanDerWaalsContact OD2-CA 3.23Å; D294-C328 WeakPolarHBondContact OD2-CA 3.2Å; D294-C328 WeakPolarHBondContact OD2-CB 3.48Å; D294-C328 PolarHBondContact OD2-SG 3.05Å; R297-C328 HydrophobicContact CG-CB 4.5Å; M322-C328 HydrophobicContact CB-CB 4.12Å; M322-C328 PolarHBondContact O-N 2.81Å; M322-C328 PolarHBondContact O-SG 2.82Å; V323-C328 HydrophobicContact CG2-CB 4.33Å; V323-C328 WeakPolarHBondContact CG2-O 3.49Å; Y326-C328 PolarHBondContact O-N 3.1Å; Y326-C328 VanDerWaalsContact O-N 3.16Å; C328-I333 HydrophobicContact CB-CD1 3.95Å; C328-I333 HydrophobicContact CB-CG1 4.24Å
329N98.6Very high98.6Very high77 Ų7735.1 Ų35.141%0.41219%0.189SC..  trans-99.2128.5169.3177.92.1000107.4K331 D332 I333N329-K331 PolarHBondContact O-N 3.14Å; N329-K331 PolarHBondContact OD1-N 2.89Å; N329-D332 HydrophobicContact CB-CB 4.35Å; N329-D332 VanDerWaalsContact CB-OD2 3.27Å; N329-D332 WeakPolarHBondContact CB-OD2 3.27Å; N329-D332 PolarHBondContact ND2-OD2 3.08Å; N329-D332 PolarHBondContact O-N 3.07Å; N329-I333 PolarHBondContact O-N 3.42Å
330V98.4Very high98.6Very high31 Ų3135.1 Ų35.119%0.18819%0.189CC..G310 helixtrans-52.4-34.3-179.71800000111.6V319 V323 D332 I333 G388 I389V319-V330 HydrophobicContact CG1-CG1 4.43Å; V319-V330 HydrophobicContact CG1-CG2 4.2Å; V323-V330 HydrophobicContact CG2-CG2 3.63Å; V330-D332 VanDerWaalsContact C-N 3.27Å; V330-D332 PolarHBondContact O-N 2.84Å; V330-I333 PolarHBondContact O-N 3.47Å; V330-G388 WeakPolarHBondContact CG1-O 3.37Å; V330-I389 HydrophobicContact CG1-CD1 3.61Å; V330-I389 HydrophobicContact CG1-CG1 4Å; V330-I389 WeakPolarHBondContact O-CD1 3.4Å
331K98.3Very high98.6Very high124 Ų12430.9 Ų30.954%0.53917%0.166SC..G310 helixtrans-72-17.6179.3-63.7-176.7178.4-178.20114.7N329 L390 N393N329-K331 PolarHBondContact O-N 3.14Å; N329-K331 PolarHBondContact OD1-N 2.89Å; K331-L390 HydrophobicContact CB-CD1 4.21Å; K331-L390 HydrophobicContact CB-CG 4.29Å; K331-L390 HydrophobicContact CG-CD2 4.29Å; K331-L390 HydrophobicContact CG-CG 4.41Å; K331-L390 WeakPolarHBondContact O-CD1 3.47Å; K331-N393 PolarHBondContact O-ND2 3.49Å
332D98.6Very high98.4Very high56 Ų5630.4 Ų30.430%0.29916%0.162SC..G310 helixtrans-97.7-10.3179.1-60.1-35000111.6P295 V296 N329 V330 L334P295-D332 WeakPolarHBondContact CD-O 3.47Å; V296-D332 HydrophobicContact CG2-CB 4.03Å; N329-D332 HydrophobicContact CB-CB 4.35Å; N329-D332 VanDerWaalsContact CB-OD2 3.27Å; N329-D332 WeakPolarHBondContact CB-OD2 3.27Å; N329-D332 PolarHBondContact ND2-OD2 3.08Å; N329-D332 PolarHBondContact O-N 3.07Å; V330-D332 VanDerWaalsContact C-N 3.27Å; V330-D332 PolarHBondContact O-N 2.84Å; D332-L334 PolarHBondContact O-N 2.97Å
333I98.9Very high98.3Very high0 Ų032.2 Ų32.20%017%0.174CC..  trans-77.8125.2179.6-65.3170.5000109.9F292 D294 V319 M322 V323 C328 N329 V330 V335 I389 N393F292-I333 HydrophobicContact CB-CG2 4.41Å; F292-I333 HydrophobicContact CD1-CG2 4.34Å; D294-I333 HydrophobicContact CB-CG1 4.19Å; V319-I333 HydrophobicContact CG1-CD1 3.89Å; M322-I333 HydrophobicContact CB-CD1 4.33Å; M322-I333 HydrophobicContact CE-CD1 4.47Å; M322-I333 HydrophobicContact CE-CG1 4.38Å; V323-I333 HydrophobicContact CG2-CD1 4.21Å; C328-I333 HydrophobicContact CB-CD1 3.95Å; C328-I333 HydrophobicContact CB-CG1 4.24Å; N329-I333 PolarHBondContact O-N 3.42Å; V330-I333 PolarHBondContact O-N 3.47Å; I333-V335 HydrophobicContact CG2-CG2 4Å; I333-I389 HydrophobicContact CB-CD1 3.89Å; I333-I389 HydrophobicContact CG2-CD1 3.99Å; I333-N393 WeakPolarHBondContact O-CB 3.47Å; I333-N393 PolarHBondContact O-ND2 2.55Å
334L98.9Very high98.1Very high18 Ų1833.1 Ų33.19%0.09418%0.182CC..EExtended strand (participates in β ladder)trans-94137.8171.4-51.2174.8000109.2L187 F292 A293 P295 D332 N393L187-L334 HydrophobicContact CD1-CD2 4.22Å; L187-L334 HydrophobicContact CD2-CB 4.47Å; L187-L334 HydrophobicContact CG-CB 4.39Å; L187-L334 HydrophobicContact CG-CD2 4.29Å; L187-L334 VanDerWaalsContact O-CD1 3.3Å; L187-L334 WeakPolarHBondContact O-CD1 3.49Å; F292-L334 CarbonylContact C-O 3.46Å; F292-L334 VanDerWaalsContact CA-O 3.3Å; F292-L334 WeakPolarHBondContact CA-O 3.31Å; A293-L334 HydrophobicContact CB-CB 4.46Å; A293-L334 PolarHBondContact N-O 3.46Å; A293-L334 PolarHBondContact O-N 2.99Å; P295-L334 HydrophobicContact CG-CD1 4.26Å; D332-L334 PolarHBondContact O-N 2.97Å; L334-N393 CarbonylContact C-O 3.54Å; L334-N393 WeakPolarHBondContact CA-O 3.13Å; L334-N393 HydrophobicContact CD2-CB 3.95Å
335V98.8Very high98.1Very high0 Ų030.7 Ų30.70%016%0.164CC..EExtended strand (participates in β ladder)trans-130.5128.5-176.8-169.60000110V290 L291 F292 I333 L337 L384 I389 N393 I394 Q395V290-V335 HydrophobicContact CG1-CG1 3.48Å; V290-V335 VanDerWaalsContact CG1-CG1 3.48Å; L291-V335 WeakPolarHBondContact O-CA 3.39Å; F292-V335 HydrophobicContact CD1-CB 4.38Å; F292-V335 HydrophobicContact CD1-CG1 3.95Å; F292-V335 HydrophobicContact CD1-CG2 3.73Å; F292-V335 HydrophobicContact CE1-CB 4.48Å; F292-V335 HydrophobicContact CE1-CG1 3.67Å; F292-V335 HydrophobicContact CE1-CG2 3.99Å; F292-V335 HydrophobicContact CZ-CG1 4.3Å; I333-V335 HydrophobicContact CG2-CG2 4Å; V335-L337 HydrophobicContact CG1-CD1 4.07Å; V335-L384 HydrophobicContact CB-CD1 4.45Å; V335-L384 HydrophobicContact CG1-CD1 3.8Å; V335-L384 HydrophobicContact CG2-CD2 4.46Å; V335-I389 HydrophobicContact CG2-CD1 4.25Å; V335-I389 HydrophobicContact CG2-CG1 4.49Å; V335-I389 HydrophobicContact CG2-CG2 4.03Å; V335-N393 PolarHBondContact N-O 3.49Å; V335-I394 HydrophobicContact CB-CG1 4.48Å; V335-I394 HydrophobicContact CB-CG2 4.34Å; V335-I394 CarbonylContact O-C 3.56Å; V335-I394 VanDerWaalsContact O-CA 3.32Å; V335-I394 WeakPolarHBondContact O-CA 3.47Å; V335-Q395 PolarHBondContact O-N 3.43Å
336V98.8Very high98Very high0 Ų029 Ų290%016%0.155CC..EExtended strand (participates in β ladder)trans-125.8119.6179.7-176.90000109.4L187 I188 F197 V290 L291 Q395 I406L187-V336 HydrophobicContact CB-CG2 4.45Å; L187-V336 HydrophobicContact CD2-CG2 4.22Å; I188-V336 HydrophobicContact CD1-CB 4.22Å; I188-V336 HydrophobicContact CD1-CG2 3.56Å; I188-V336 HydrophobicContact CG1-CG2 3.75Å; F197-V336 HydrophobicContact CE2-CG1 3.66Å; F197-V336 HydrophobicContact CZ-CB 4.44Å; F197-V336 HydrophobicContact CZ-CG1 3.94Å; V290-V336 WeakPolarHBondContact CA-O 3.4Å; L291-V336 PolarHBondContact N-O 3.02Å; L291-V336 PolarHBondContact O-N 3.15Å; V336-Q395 HydrophobicContact CG1-CB 4.37Å; V336-Q395 HydrophobicContact CG2-CB 4.28Å; V336-I406 HydrophobicContact CG1-CD1 3.64Å; V336-I406 HydrophobicContact CG1-CG1 4.5Å
337L98.7Very high97.9Very high0 Ų032 Ų320%017%0.169CC..EExtended strand (participates in β ladder)trans-87.9121.9173.8-78.866.9000108.6I288 V290 V335 R377 T380 L384 I394 Q395 D396 T407I288-L337 HydrophobicContact CD1-CD2 4.37Å; I288-L337 HydrophobicContact CG2-CB 3.92Å; I288-L337 HydrophobicContact CG2-CD2 4.33Å; I288-L337 HydrophobicContact CG2-CG 3.95Å; V290-L337 HydrophobicContact CG1-CD1 4.22Å; V290-L337 HydrophobicContact CG2-CG 4.44Å; V335-L337 HydrophobicContact CG1-CD1 4.07Å; L337-R377 HydrophobicContact CD2-CB 4.1Å; L337-T380 HydrophobicContact CD2-CG2 4.15Å; L337-L384 HydrophobicContact CD1-CD1 4.42Å; L337-I394 HydrophobicContact CD1-CG2 3.99Å; L337-Q395 PolarHBondContact N-O 3.09Å; L337-D396 HydrophobicContact CB-CB 4.02Å; L337-D396 HydrophobicContact CD2-CB 3.97Å; L337-D396 HydrophobicContact CG-CB 4.41Å; L337-T407 HydrophobicContact CB-CG2 4.4Å; L337-T407 PolarHBondContact O-OG1 3.13Å
338G98.2Very high97.7Very high0 Ų027.7 Ų27.70%015%0.146CC..  trans-84.2-176.3-179.900000114.9P289 S340P289-G338 PolarHBondContact O-N 3.07Å; G338-S340 PolarHBondContact O-N 2.86Å; G338-S340 PolarHBondContact O-OG 2.84Å
339P98.2Very high97.5Very high2 Ų231.2 Ų31.21%0.01317%0.168CC..SBendtrans-51.3128.8172.4-23.230.7000112.2L183 F197 P289 I406 F408 T410 F417L183-P339 HydrophobicContact CD1-CG 3.99Å; F197-P339 HydrophobicContact CB-CG 4.18Å; P289-P339 VanDerWaalsContact CD-O 3.3Å; P289-P339 WeakPolarHBondContact CD-O 3.3Å; P339-I406 WeakPolarHBondContact CD-O 3.3Å; P339-I406 VanDerWaalsContact CG-O 3.3Å; P339-I406 WeakPolarHBondContact CG-O 3.39Å; P339-F408 WeakPolarHBondContact CA-O 3.23Å; P339-T410 HydrophobicContact CB-CG2 3.97Å; P339-F417 HydrophobicContact CB-CD1 3.92Å; P339-F417 HydrophobicContact CB-CD2 4.47Å; P339-F417 HydrophobicContact CB-CE1 3.58Å; P339-F417 HydrophobicContact CB-CE2 4.18Å; P339-F417 HydrophobicContact CB-CG 4.35Å; P339-F417 HydrophobicContact CB-CZ 3.71Å; P339-F417 HydrophobicContact CG-CD1 4.24Å; P339-F417 HydrophobicContact CG-CE1 3.44Å; P339-F417 VanDerWaalsContact CG-CE1 3.44Å; P339-F417 HydrophobicContact CG-CE2 4.47Å; P339-F417 HydrophobicContact CG-CZ 3.58Å
340S98.4Very high97.3Very high0 Ų029.7 Ų29.70%016%0.159CC..BIsolated β-bridgetrans-154174.9-175.350.60000110.2D286 G338 G342 R377 F408 C409 T410D286-S340 CarbonylContact O-C 3.59Å; D286-S340 WeakPolarHBondContact O-CA 3.3Å; D286-S340 VanDerWaalsContact O-CB 3.29Å; D286-S340 WeakPolarHBondContact O-CB 3.5Å; G338-S340 PolarHBondContact O-N 2.86Å; G338-S340 PolarHBondContact O-OG 2.84Å; S340-G342 PolarHBondContact O-N 3.27Å; S340-R377 PolarHBondContact O-NH2 2.85Å; S340-R377 PolarHBondContact OG-NE 3Å; S340-R377 PolarHBondContact OG-NH2 3.16Å; S340-F408 PolarHBondContact N-O 2.69Å; S340-F408 VanDerWaalsContact N-O 3.16Å; S340-C409 CarbonylContact O-C 3.33Å; S340-C409 VanDerWaalsContact O-CA 3.22Å; S340-C409 WeakPolarHBondContact O-CA 3.48Å; S340-T410 PolarHBondContact O-N 2.82Å; S340-T410 PolarHBondContact O-OG1 2.97Å
341V97.8Very high97Very high3 Ų333.8 Ų33.82%0.01818%0.176CC..  trans-72.8129.9172.666.20000109.2D286 C345 Y346 T410 A411D286-V341 HydrophobicContact CB-CB 3.69Å; D286-V341 HydrophobicContact CB-CG1 3.75Å; D286-V341 PolarHBondContact O-N 2.9Å; V341-C345 HydrophobicContact CG2-CB 3.83Å; V341-Y346 HydrophobicContact CB-CD2 4.47Å; V341-Y346 HydrophobicContact CG1-CD1 4.18Å; V341-Y346 HydrophobicContact CG1-CD2 3.5Å; V341-Y346 HydrophobicContact CG1-CE2 4.16Å; V341-Y346 HydrophobicContact CG1-CG 3.52Å; V341-Y346 HydrophobicContact CG2-CD2 4.25Å; V341-Y346 HydrophobicContact CG2-CG 4.34Å; V341-T410 PolarHBondContact N-OG1 2.96Å; V341-A411 HydrophobicContact CG2-CB 4.19Å
342G96.5Very high96.8Very high0 Ų029.2 Ų29.20%016%0.159CC..  trans-90.7169.2-178.100000113.4S340 C344 C345 Y346 C409S340-G342 PolarHBondContact O-N 3.27Å; G342-C344 PolarHBondContact O-N 2.96Å; G342-C344 VanDerWaalsContact O-N 3.09Å; G342-C345 PolarHBondContact O-N 3.33Å; G342-Y346 PolarHBondContact O-N 3.24Å; G342-C409 PolarHBondContact N-SG 3.16Å
343P95.4Very high96.6Very high37 Ų3726.5 Ų26.524%0.2415%0.145CC..THydrogen-bonded Turntrans-65.8-10.1176.628.6-36.7000113.9C345 Y373 D375P343-C345 VanDerWaalsContact C-N 3.3Å; P343-Y373 VanDerWaalsContact O-CD1 3.27Å; P343-Y373 WeakPolarHBondContact O-CD1 3.44Å; P343-D375 HydrophobicContact CB-CB 3.85Å; P343-D375 HydrophobicContact CG-CB 4.23Å
344C95.7Very high96.5Very high67 Ų6729.3 Ų29.345%0.45316%0.157SC..THydrogen-bonded Turntrans-68.2-28.2169.454.50000112.9G342 Y373 C409G342-C344 PolarHBondContact O-N 2.96Å; G342-C344 VanDerWaalsContact O-N 3.09Å; C344-Y373 WeakPolarHBondContact O-CE1 3.39Å; C344-C409 PolarHBondContact SG-SG 2.92Å
345C96.9Very high96.4Very high27 Ų2732.4 Ų32.418%0.18217%0.171CC..THydrogen-bonded Turntrans-119.9-42.1-173.5-65.50000113.1V341 G342 P343 K347 A411 C412 F421V341-C345 HydrophobicContact CG2-CB 3.83Å; G342-C345 PolarHBondContact O-N 3.33Å; P343-C345 VanDerWaalsContact C-N 3.3Å; C345-K347 PolarHBondContact O-N 3.04Å; C345-A411 HydrophobicContact CB-CB 4.01Å; C345-C412 PolarHBondContact SG-SG 3.16Å; C345-F421 HydrophobicContact CB-CD1 4.42Å; C345-F421 HydrophobicContact CB-CE1 4.02Å; C345-F421 WeakPolarHBondContact O-CZ 3.35Å
346Y97.1Very high96.4Very high31 Ų3132.4 Ų32.412%0.12217%0.171CC..  trans-73.8130.1-165.1-164.7-128.9000112.6W307 V341 G342 L348 Y373 I374 L376 F421W307-Y346 HydrophobicContact CB-CE1 4.29Å; W307-Y346 VanDerWaalsContact CD1-OH 3.25Å; V341-Y346 HydrophobicContact CB-CD2 4.47Å; V341-Y346 HydrophobicContact CG1-CD1 4.18Å; V341-Y346 HydrophobicContact CG1-CD2 3.5Å; V341-Y346 HydrophobicContact CG1-CE2 4.16Å; V341-Y346 HydrophobicContact CG1-CG 3.52Å; V341-Y346 HydrophobicContact CG2-CD2 4.25Å; V341-Y346 HydrophobicContact CG2-CG 4.34Å; G342-Y346 PolarHBondContact O-N 3.24Å; Y346-L348 HydrophobicContact CE1-CD1 4.09Å; Y346-L348 HydrophobicContact CE1-CD2 4.19Å; Y346-L348 HydrophobicContact CE1-CG 3.9Å; Y346-L348 WeakPolarHBondContact OH-CD2 3.3Å; Y346-Y373 CarbonylContact O-C 3.5Å; Y346-Y373 VanDerWaalsContact O-CA 3.22Å; Y346-Y373 WeakPolarHBondContact O-CA 3.22Å; Y346-I374 HydrophobicContact CD1-CB 3.96Å; Y346-I374 HydrophobicContact CD1-CG2 4.49Å; Y346-I374 HydrophobicContact CE1-CB 4.46Å; Y346-I374 PolarHBondContact O-N 3.19Å; Y346-L376 HydrophobicContact CD1-CD1 3.92Å; Y346-L376 HydrophobicContact CD1-CD2 4.47Å; Y346-L376 HydrophobicContact CD1-CG 3.93Å; Y346-L376 HydrophobicContact CE1-CD1 3.6Å; Y346-L376 HydrophobicContact CE1-CD2 4.07Å; Y346-L376 HydrophobicContact CE1-CG 3.87Å; Y346-F421 HydrophobicContact CD2-CD2 4.27Å
347K95.6Very high96.4Very high87 Ų8735.4 Ų35.438%0.37819%0.185SC..BIsolated β-bridgetrans-128.8147.2177.2-65176.9-178.8175.70110.4C345 P372 Y373C345-K347 PolarHBondContact O-N 3.04Å; K347-P372 VanDerWaalsContact CA-O 3.24Å; K347-P372 WeakPolarHBondContact CA-O 3.14Å; K347-Y373 HydrophobicContact CD-CE1 4.3Å; K347-Y373 WeakPolarHBondContact CE-OH 3.08Å; K347-Y373 HydrophobicContact CG-CD1 3.9Å; K347-Y373 HydrophobicContact CG-CE1 4.02Å; K347-Y373 HydrophobicContact CG-CG 4.25Å; K347-Y373 PolarHBondContact NZ-OH 3.48Å
348L94.5Very high96.3Very high15 Ų1543.3 Ų43.38%0.07922%0.215CC..  trans-128161.3169.8-73.3179.4000110.2W307 Y346 F356 S371 P372 I374W307-L348 HydrophobicContact CB-CD1 4.08Å; W307-L348 HydrophobicContact CD2-CD1 4.19Å; W307-L348 HydrophobicContact CD2-CD2 4.5Å; W307-L348 HydrophobicContact CE3-CD1 4.19Å; W307-L348 HydrophobicContact CG-CD1 4.19Å; W307-L348 HydrophobicContact CG-CD2 4.44Å; Y346-L348 HydrophobicContact CE1-CD1 4.09Å; Y346-L348 HydrophobicContact CE1-CD2 4.19Å; Y346-L348 HydrophobicContact CE1-CG 3.9Å; Y346-L348 WeakPolarHBondContact OH-CD2 3.3Å; L348-F356 HydrophobicContact CD1-CD2 4.3Å; L348-F356 HydrophobicContact CD1-CE2 3.67Å; L348-F356 HydrophobicContact CD1-CZ 4.48Å; L348-S371 WeakPolarHBondContact O-CA 3.22Å; L348-P372 PolarHBondContact N-O 2.83Å; L348-P372 WeakPolarHBondContact O-CD 3.49Å; L348-I374 HydrophobicContact CB-CD1 4.47Å; L348-I374 HydrophobicContact CB-CG1 3.86Å; L348-I374 HydrophobicContact CD1-CG1 4.01Å; L348-I374 HydrophobicContact CG-CG1 3.94Å
349P95.4Very high96.3Very high80 Ų8045.4 Ų45.452%0.51923%0.226SC..  trans-55.2145.2165.6-22.734.2000110.9E351 S352 A353P349-E351 PolarHBondContact O-N 3.09Å; P349-E351 VanDerWaalsContact O-N 3.1Å; P349-S352 PolarHBondContact O-N 2.69Å; P349-A353 PolarHBondContact O-N 2.88Å; P349-A353 VanDerWaalsContact O-N 3.16Å
350H94.2Very high96.3Very high46 Ų4646.6 Ų46.621%0.21323%0.232CC..Hα-helixtrans-47.5-41.5-178.7-177.8-104.8000114.2S352 A353 K354 F367 A370H350-S352 PolarHBondContact O-N 2.86Å; H350-A353 VanDerWaalsContact O-CB 3.3Å; H350-A353 WeakPolarHBondContact O-CB 2.97Å; H350-A353 PolarHBondContact O-N 3.42Å; H350-A353 VanDerWaalsContact O-N 3.07Å; H350-K354 WeakPolarHBondContact CE1-CE 3.32Å; H350-K354 WeakPolarHBondContact ND1-CE 3.3Å; H350-K354 PolarHBondContact O-N 3Å; H350-F367 PolarHBondContact CD2-O 2.93Å; H350-F367 PolarHBondContact NE2-O 2.82Å; H350-A370 PolarHBondContact N-O 3.18Å
351E92.7Very high96.2Very high117 Ų11750.3 Ų50.355%0.54726%0.256SS..Hα-helixtrans-61.9-40.2-179.6-65.2-51.2119.600113P349 A353 K354P349-E351 PolarHBondContact O-N 3.09Å; P349-E351 VanDerWaalsContact O-N 3.1Å; E351-A353 VanDerWaalsContact C-N 3.33Å; E351-K354 PolarHBondContact O-N 2.87Å; E351-K354 WeakPolarHBondContact OE1-CE 3.3Å; E351-K354 IonicContact OE1-NZ 3.39Å; E351-K354 PolarHBondContact OE1-NZ 3.45Å; E351-K354 IonicContact OE2-NZ 2.72Å; E351-K354 PolarHBondContact OE2-NZ 2.58Å
352S93.3Very high96.2Very high27 Ų2757.4 Ų57.419%0.18929%0.287CS..Hα-helixtrans-71.2-30.9174.6-54.60000111.9P349 H350 K354 E355 F356P349-S352 PolarHBondContact O-N 2.69Å; H350-S352 PolarHBondContact O-N 2.86Å; S352-K354 VanDerWaalsContact C-N 3.28Å; S352-K354 PolarHBondContact O-N 3.22Å; S352-E355 PolarHBondContact O-N 2.66Å; S352-F356 WeakPolarHBondContact O-CD2 3.43Å
353A95.4Very high96.2Very high0 Ų057.5 Ų57.50%029%0.287CS..Hα-helixtrans-64.4-30.9177.800000112.9P349 H350 E351 E355 F356 H357 V364 P372 I374P349-A353 PolarHBondContact O-N 2.88Å; P349-A353 VanDerWaalsContact O-N 3.16Å; H350-A353 VanDerWaalsContact O-CB 3.3Å; H350-A353 WeakPolarHBondContact O-CB 2.97Å; H350-A353 PolarHBondContact O-N 3.42Å; H350-A353 VanDerWaalsContact O-N 3.07Å; E351-A353 VanDerWaalsContact C-N 3.33Å; A353-E355 VanDerWaalsContact C-N 3.27Å; A353-E355 PolarHBondContact O-N 3.33Å; A353-F356 PolarHBondContact O-N 3.24Å; A353-F356 VanDerWaalsContact O-N 3.16Å; A353-H357 PolarHBondContact O-N 2.83Å; A353-V364 HydrophobicContact CB-CG1 4.15Å; A353-V364 WeakPolarHBondContact O-CG2 3.39Å; A353-P372 HydrophobicContact CB-CB 4.02Å; A353-P372 HydrophobicContact CB-CG 3.83Å; A353-I374 HydrophobicContact CB-CD1 3.52Å
354K96.7Very high96.4Very high59 Ų5956.4 Ų56.426%0.25728%0.28SS..Hα-helixtrans-56.4-40.5177.7-68.5177.6-174.4167.20112.6H350 E351 S352 F356 H357 R358 F367H350-K354 WeakPolarHBondContact CE1-CE 3.32Å; H350-K354 WeakPolarHBondContact ND1-CE 3.3Å; H350-K354 PolarHBondContact O-N 3Å; E351-K354 PolarHBondContact O-N 2.87Å; E351-K354 WeakPolarHBondContact OE1-CE 3.3Å; E351-K354 IonicContact OE1-NZ 3.39Å; E351-K354 PolarHBondContact OE1-NZ 3.45Å; E351-K354 IonicContact OE2-NZ 2.72Å; E351-K354 PolarHBondContact OE2-NZ 2.58Å; S352-K354 VanDerWaalsContact C-N 3.28Å; S352-K354 PolarHBondContact O-N 3.22Å; K354-F356 VanDerWaalsContact C-N 3.34Å; K354-F356 PolarHBondContact O-N 2.86Å; K354-H357 PolarHBondContact O-N 2.86Å; K354-R358 WeakPolarHBondContact O-CG 3.21Å; K354-R358 PolarHBondContact O-N 2.84Å; K354-F367 HydrophobicContact CG-CE2 4.38Å; K354-F367 HydrophobicContact CG-CZ 4.09Å
355E97.1Very high96.4Very high83 Ų8359.4 Ų59.439%0.38828%0.282SS..Hα-helixtrans-63.2-41.7179.4-57.2-52.4141.900111.4L311 S352 A353 R358 I359L311-E355 HydrophobicContact CD1-CB 3.8Å; L311-E355 HydrophobicContact CD1-CG 4.2Å; L311-E355 HydrophobicContact CD2-CB 3.74Å; L311-E355 HydrophobicContact CG-CB 4.43Å; S352-E355 PolarHBondContact O-N 2.66Å; A353-E355 VanDerWaalsContact C-N 3.27Å; A353-E355 PolarHBondContact O-N 3.33Å; E355-R358 PolarHBondContact O-N 3.02Å; E355-R358 IonicContact OE1-CZ 3.84Å; E355-R358 IonicContact OE1-NH1 3.96Å; E355-R358 PolarHBondContact OE1-NH1 3.16Å; E355-R358 IonicContact OE2-NH1 2.88Å; E355-R358 PolarHBondContact OE2-NH1 2.87Å; E355-I359 PolarHBondContact O-N 3.27Å
356F98Very high96.4Very high0 Ų063.2 Ų63.20%030%0.299CS..Hα-helixtrans-68.4-37.9175.9-67.4-78.2000112.7W307 T310 L311 L348 S352 A353 K354 R358 I359 D360 C363 V364 I374 L376 A379W307-F356 HydrophobicContact CB-CE2 4.46Å; W307-F356 HydrophobicContact CB-CZ 4Å; W307-F356 HydrophobicContact CE3-CE2 4.42Å; T310-F356 HydrophobicContact CG2-CE1 4.04Å; L311-F356 HydrophobicContact CD1-CE2 3.94Å; L311-F356 HydrophobicContact CD1-CZ 4.02Å; L311-F356 HydrophobicContact CD2-CD1 4.07Å; L311-F356 HydrophobicContact CD2-CD2 4.4Å; L311-F356 HydrophobicContact CD2-CE1 3.8Å; L311-F356 HydrophobicContact CD2-CE2 4.14Å; L311-F356 HydrophobicContact CD2-CG 4.36Å; L311-F356 HydrophobicContact CD2-CZ 3.83Å; L311-F356 HydrophobicContact CG-CE1 4.1Å; L311-F356 HydrophobicContact CG-CE2 4.11Å; L311-F356 HydrophobicContact CG-CZ 3.71Å; L348-F356 HydrophobicContact CD1-CD2 4.3Å; L348-F356 HydrophobicContact CD1-CE2 3.67Å; L348-F356 HydrophobicContact CD1-CZ 4.48Å; S352-F356 WeakPolarHBondContact O-CD2 3.43Å; A353-F356 PolarHBondContact O-N 3.24Å; A353-F356 VanDerWaalsContact O-N 3.16Å; K354-F356 VanDerWaalsContact C-N 3.34Å; K354-F356 PolarHBondContact O-N 2.86Å; F356-R358 VanDerWaalsContact C-N 3.26Å; F356-R358 PolarHBondContact O-N 2.99Å; F356-I359 HydrophobicContact CD1-CD1 4.44Å; F356-I359 WeakPolarHBondContact O-CB 3.08Å; F356-I359 PolarHBondContact O-N 3.38Å; F356-D360 PolarHBondContact O-N 3.23Å; F356-D360 VanDerWaalsContact O-N 3.16Å; F356-C363 HydrophobicContact CB-CB 4.17Å; F356-V364 HydrophobicContact CB-CG2 3.84Å; F356-I374 HydrophobicContact CB-CG2 4.27Å; F356-I374 HydrophobicContact CD1-CG2 4.01Å; F356-I374 HydrophobicContact CD2-CD1 4.49Å; F356-I374 HydrophobicContact CD2-CG2 3.77Å; F356-I374 HydrophobicContact CE1-CG2 4.32Å; F356-I374 HydrophobicContact CE2-CG2 4.1Å; F356-I374 HydrophobicContact CG-CG2 3.73Å; F356-I374 HydrophobicContact CZ-CG2 4.36Å; F356-L376 HydrophobicContact CD1-CD2 4.33Å; F356-L376 HydrophobicContact CE1-CD2 3.45Å; F356-L376 VanDerWaalsContact CE1-CD2 3.45Å; F356-L376 HydrophobicContact CE2-CD2 4.34Å; F356-L376 HydrophobicContact CZ-CD2 3.46Å; F356-L376 VanDerWaalsContact CZ-CD2 3.46Å; F356-A379 HydrophobicContact CD1-CB 3.69Å; F356-A379 HydrophobicContact CE1-CB 4.09Å
357H97.6Very high96.4Very high62 Ų6264.3 Ų64.329%0.28731%0.305SS..Hα-helixtrans-64.4-30.8176.4-171.185.9000112.6A353 K354 D360 P361 V364 F367A353-H357 PolarHBondContact O-N 2.83Å; K354-H357 PolarHBondContact O-N 2.86Å; H357-D360 CarbonylContact O-C 3.25Å; H357-D360 VanDerWaalsContact O-C 3.25Å; H357-P361 WeakPolarHBondContact ND1-CA 3.44Å; H357-V364 HydrophobicContact CB-CB 4.45Å; H357-V364 HydrophobicContact CB-CG2 3.89Å; H357-F367 HydrophobicContact CB-CD2 3.84Å; H357-F367 HydrophobicContact CB-CE2 3.4Å; H357-F367 VanDerWaalsContact CB-CE2 3.4Å; H357-F367 HydrophobicContact CB-CZ 4.26Å; H357-F367 AromaticContact CG-CD2 3.69Å; H357-F367 AromaticContact CG-CE2 3.48Å; H357-F367 VanDerWaalsContact CG-CE2 3.48Å; H357-F367 AromaticContact ND1-CD2 3.54Å; H357-F367 AromaticContact ND1-CE2 3.85Å
358R97.6Very high96.3Very high167 Ų16767.3 Ų67.363%0.6333%0.325SS*.Hα-helixtrans-70.7-31.3174.3-71.3-176.9-167120.23.8113.2K354 E355 F356K354-R358 WeakPolarHBondContact O-CG 3.21Å; K354-R358 PolarHBondContact O-N 2.84Å; E355-R358 PolarHBondContact O-N 3.02Å; E355-R358 IonicContact OE1-CZ 3.84Å; E355-R358 IonicContact OE1-NH1 3.96Å; E355-R358 PolarHBondContact OE1-NH1 3.16Å; E355-R358 IonicContact OE2-NH1 2.88Å; E355-R358 PolarHBondContact OE2-NH1 2.87Å; F356-R358 VanDerWaalsContact C-N 3.26Å; F356-R358 PolarHBondContact O-N 2.99Å
359I97.8Very high96.4Very high44 Ų4468.4 Ų68.423%0.22633%0.334CS..Hα-helixtrans-66.2-52.6173.5-64.5168000109.1L311 E355 F356 A379 V382 L383L311-I359 HydrophobicContact CD2-CD1 3.82Å; E355-I359 PolarHBondContact O-N 3.27Å; F356-I359 HydrophobicContact CD1-CD1 4.44Å; F356-I359 WeakPolarHBondContact O-CB 3.08Å; F356-I359 PolarHBondContact O-N 3.38Å; I359-A379 HydrophobicContact CD1-CB 4.26Å; I359-V382 HydrophobicContact CG2-CB 3.97Å; I359-V382 HydrophobicContact CG2-CG1 3.75Å; I359-L383 HydrophobicContact CD1-CD1 4.02Å; I359-L383 HydrophobicContact CD1-CD2 4.42Å; I359-L383 HydrophobicContact CD1-CG 4.36Å; I359-L383 HydrophobicContact CG1-CD2 4.39Å; I359-L383 HydrophobicContact CG2-CD2 4.29Å; I359-L383 HydrophobicContact CG2-CG 4.17Å
360D97.7Very high96.2Very high26 Ų2668.6 Ų68.614%0.13934%0.342CS..  trans-158128172.9-179.4-18.2000109.1F356 H357 K362 C363 R378 V382F356-D360 PolarHBondContact O-N 3.23Å; F356-D360 VanDerWaalsContact O-N 3.16Å; H357-D360 CarbonylContact O-C 3.25Å; H357-D360 VanDerWaalsContact O-C 3.25Å; D360-K362 PolarHBondContact O-N 2.96Å; D360-K362 WeakPolarHBondContact OD1-CB 3.34Å; D360-K362 PolarHBondContact OD1-N 3.26Å; D360-C363 VanDerWaalsContact O-CB 3.23Å; D360-C363 WeakPolarHBondContact O-CB 3.44Å; D360-C363 PolarHBondContact O-N 3.31Å; D360-R378 IonicContact OD1-NE 3.67Å; D360-R378 IonicContact OD2-CZ 2.67Å; D360-R378 IonicContact OD2-NE 2.84Å; D360-R378 PolarHBondContact OD2-NE 3.46Å; D360-R378 IonicContact OD2-NH2 2.69Å; D360-R378 PolarHBondContact OD2-NH2 2.73Å; D360-V382 HydrophobicContact CB-CG2 4.17Å
361P97.6Very high96.2Very high78 Ų7869.2 Ų69.251%0.50635%0.352SS..G310 helixtrans-51.2-31.5176.3-31.337.5000114.5H357 C363 V364H357-P361 WeakPolarHBondContact ND1-CA 3.44Å; P361-C363 PolarHBondContact O-N 2.91Å; P361-V364 PolarHBondContact O-N 2.72Å
362K97Very high96.4Very high153 Ų15363.6 Ų63.667%0.66533%0.326SS*.G310 helixtrans-72.6-11.9178.3-66.9175.2-178.1177.30113.7D360 V364D360-K362 PolarHBondContact O-N 2.96Å; D360-K362 WeakPolarHBondContact OD1-CB 3.34Å; D360-K362 PolarHBondContact OD1-N 3.26Å; K362-V364 PolarHBondContact O-N 3.26Å
363C97.6Very high96.7Very high2 Ų264.6 Ų64.61%0.01433%0.326CS..G310 helixtrans-69.1-14.8172.1-72.60000112.9F356 D360 P361 D375 A379F356-C363 HydrophobicContact CB-CB 4.17Å; D360-C363 VanDerWaalsContact O-CB 3.23Å; D360-C363 WeakPolarHBondContact O-CB 3.44Å; D360-C363 PolarHBondContact O-N 3.31Å; P361-C363 PolarHBondContact O-N 2.91Å; C363-D375 PolarHBondContact O-N 3.22Å; C363-A379 VanDerWaalsContact SG-CA 3.56Å; C363-A379 PolarHBondContact SG-N 3.42Å; C363-A379 VanDerWaalsContact SG-N 3.39Å
364V98Very high96.8Very high14 Ų1464.6 Ų64.69%0.08533%0.326CS..EExtended strand (participates in β ladder)trans-127125.5-175.5-171.60000111.2A353 F356 H357 P361 K362 F367 P372 Y373 I374A353-V364 HydrophobicContact CB-CG1 4.15Å; A353-V364 WeakPolarHBondContact O-CG2 3.39Å; F356-V364 HydrophobicContact CB-CG2 3.84Å; H357-V364 HydrophobicContact CB-CB 4.45Å; H357-V364 HydrophobicContact CB-CG2 3.89Å; P361-V364 PolarHBondContact O-N 2.72Å; K362-V364 PolarHBondContact O-N 3.26Å; V364-F367 HydrophobicContact CB-CD2 4.17Å; V364-F367 HydrophobicContact CG1-CB 4.29Å; V364-F367 HydrophobicContact CG1-CD2 3.81Å; V364-P372 HydrophobicContact CG1-CB 3.48Å; V364-P372 VanDerWaalsContact CG1-CB 3.48Å; V364-P372 HydrophobicContact CG1-CG 4.39Å; V364-Y373 WeakPolarHBondContact CA-O 3.23Å; V364-I374 HydrophobicContact CG1-CD1 4.05Å; V364-I374 HydrophobicContact CG2-CD1 3.93Å
365R97.5Very high96.8Very high130 Ų13063 Ų6349%0.49132%0.32SS..EExtended strand (participates in β ladder)trans-111.3138174.4-178.4-177.965.7132.8-2.8110Y373R365-Y373 PolarHBondContact N-O 3.16Å; R365-Y373 PolarHBondContact O-N 3.3Å
366L96.6Very high96.8Very high106 Ų10659.1 Ų59.156%0.55530%0.302SS*.SBendtrans59.852.7-169.6-50.4-179.9000111.6D368 S369 P372 Y373L366-D368 VanDerWaalsContact C-N 3.32Å; L366-D368 PolarHBondContact O-N 2.86Å; L366-S369 WeakPolarHBondContact O-CB 3.43Å; L366-S369 PolarHBondContact O-N 3.11Å; L366-S369 PolarHBondContact O-OG 2.97Å; L366-P372 WeakPolarHBondContact O-CB 3.44Å; L366-Y373 HydrophobicContact CD1-CD2 4.09Å; L366-Y373 HydrophobicContact CD1-CE2 3.92Å; L366-Y373 HydrophobicContact CG-CD2 4.48Å
367F95.9Very high96.8Very high55 Ų5559.5 Ų59.524%0.24130%0.303CS..THydrogen-bonded Turntrans-50.9-47.5-174.2-177.1-105000112.4H350 K354 H357 V364 S369 P372H350-F367 PolarHBondContact CD2-O 2.93Å; H350-F367 PolarHBondContact NE2-O 2.82Å; K354-F367 HydrophobicContact CG-CE2 4.38Å; K354-F367 HydrophobicContact CG-CZ 4.09Å; H357-F367 HydrophobicContact CB-CD2 3.84Å; H357-F367 HydrophobicContact CB-CE2 3.4Å; H357-F367 VanDerWaalsContact CB-CE2 3.4Å; H357-F367 HydrophobicContact CB-CZ 4.26Å; H357-F367 AromaticContact CG-CD2 3.69Å; H357-F367 AromaticContact CG-CE2 3.48Å; H357-F367 VanDerWaalsContact CG-CE2 3.48Å; H357-F367 AromaticContact ND1-CD2 3.54Å; H357-F367 AromaticContact ND1-CE2 3.85Å; V364-F367 HydrophobicContact CB-CD2 4.17Å; V364-F367 HydrophobicContact CG1-CB 4.29Å; V364-F367 HydrophobicContact CG1-CD2 3.81Å; F367-S369 PolarHBondContact O-N 3.43Å; F367-S369 VanDerWaalsContact O-N 3.12Å; F367-P372 VanDerWaalsContact O-CG 3.28Å; F367-P372 WeakPolarHBondContact O-CG 3.28Å
368D95Very high96.8Very high149 Ų14960.1 Ų60.180%0.79730%0.303SS*.THydrogen-bonded Turntrans-76.64-177.3-53.6-57.2000115L366L366-D368 VanDerWaalsContact C-N 3.32Å; L366-D368 PolarHBondContact O-N 2.86Å
369S95.4Very high96.9Very high38 Ų3852.1 Ų52.127%0.26627%0.273SS..SBendtrans-80.3156.8177.674.30000111.8L366 F367 S371 P372L366-S369 WeakPolarHBondContact O-CB 3.43Å; L366-S369 PolarHBondContact O-N 3.11Å; L366-S369 PolarHBondContact O-OG 2.97Å; F367-S369 PolarHBondContact O-N 3.43Å; F367-S369 VanDerWaalsContact O-N 3.12Å; S369-S371 PolarHBondContact O-N 2.89Å; S369-P372 VanDerWaalsContact O-CD 3.27Å; S369-P372 WeakPolarHBondContact O-CD 3.29Å; S369-P372 VanDerWaalsContact O-CG 3.32Å; S369-P372 WeakPolarHBondContact O-CG 3.44Å; S369-P372 WeakPolarHBondContact OG-CA 3.48Å
370A92.6Very high96.9Very high84 Ų8450.2 Ų50.269%0.69426%0.263SS*.SBendtrans-62.9-22.3175.500000113.3H350H350-A370 PolarHBondContact N-O 3.18Å
371S93.8Very high96.9Very high59 Ų5950.1 Ų50.141%0.41326%0.261SS..SBendtrans-140.675.3179.4-560000111.1L348 S369L348-S371 WeakPolarHBondContact O-CA 3.22Å; S369-S371 PolarHBondContact O-N 2.89Å
372P97.2Very high97Very high0 Ų047.4 Ų47.40%024%0.243CC..  trans-63.6152.7-179.2-22.236.1000111.8K347 L348 A353 V364 L366 F367 S369 I374K347-P372 VanDerWaalsContact CA-O 3.24Å; K347-P372 WeakPolarHBondContact CA-O 3.14Å; L348-P372 PolarHBondContact N-O 2.83Å; L348-P372 WeakPolarHBondContact O-CD 3.49Å; A353-P372 HydrophobicContact CB-CB 4.02Å; A353-P372 HydrophobicContact CB-CG 3.83Å; V364-P372 HydrophobicContact CG1-CB 3.48Å; V364-P372 VanDerWaalsContact CG1-CB 3.48Å; V364-P372 HydrophobicContact CG1-CG 4.39Å; L366-P372 WeakPolarHBondContact O-CB 3.44Å; F367-P372 VanDerWaalsContact O-CG 3.28Å; F367-P372 WeakPolarHBondContact O-CG 3.28Å; S369-P372 VanDerWaalsContact O-CD 3.27Å; S369-P372 WeakPolarHBondContact O-CD 3.29Å; S369-P372 VanDerWaalsContact O-CG 3.32Å; S369-P372 WeakPolarHBondContact O-CG 3.44Å; S369-P372 WeakPolarHBondContact OG-CA 3.48Å; P372-I374 HydrophobicContact CB-CD1 4.45Å
373Y97.8Very high97Very high48 Ų4842.4 Ų42.419%0.18822%0.223CC..EExtended strand (participates in β ladder)trans-80.1136.4171.9-68.8-92.1000110.1P343 C344 Y346 K347 V364 R365 L366P343-Y373 VanDerWaalsContact O-CD1 3.27Å; P343-Y373 WeakPolarHBondContact O-CD1 3.44Å; C344-Y373 WeakPolarHBondContact O-CE1 3.39Å; Y346-Y373 CarbonylContact O-C 3.5Å; Y346-Y373 VanDerWaalsContact O-CA 3.22Å; Y346-Y373 WeakPolarHBondContact O-CA 3.22Å; K347-Y373 HydrophobicContact CD-CE1 4.3Å; K347-Y373 WeakPolarHBondContact CE-OH 3.08Å; K347-Y373 HydrophobicContact CG-CD1 3.9Å; K347-Y373 HydrophobicContact CG-CE1 4.02Å; K347-Y373 HydrophobicContact CG-CG 4.25Å; K347-Y373 PolarHBondContact NZ-OH 3.48Å; V364-Y373 WeakPolarHBondContact CA-O 3.23Å; R365-Y373 PolarHBondContact N-O 3.16Å; R365-Y373 PolarHBondContact O-N 3.3Å; L366-Y373 HydrophobicContact CD1-CD2 4.09Å; L366-Y373 HydrophobicContact CD1-CE2 3.92Å; L366-Y373 HydrophobicContact CG-CD2 4.48Å
374I98Very high97.1Very high0 Ų042.3 Ų42.30%022%0.223CC..EExtended strand (participates in β ladder)trans-118132.3-174.2-51-61000110.5Y346 L348 A353 F356 V364 P372 L376Y346-I374 HydrophobicContact CD1-CB 3.96Å; Y346-I374 HydrophobicContact CD1-CG2 4.49Å; Y346-I374 HydrophobicContact CE1-CB 4.46Å; Y346-I374 PolarHBondContact O-N 3.19Å; L348-I374 HydrophobicContact CB-CD1 4.47Å; L348-I374 HydrophobicContact CB-CG1 3.86Å; L348-I374 HydrophobicContact CD1-CG1 4.01Å; L348-I374 HydrophobicContact CG-CG1 3.94Å; A353-I374 HydrophobicContact CB-CD1 3.52Å; F356-I374 HydrophobicContact CB-CG2 4.27Å; F356-I374 HydrophobicContact CD1-CG2 4.01Å; F356-I374 HydrophobicContact CD2-CD1 4.49Å; F356-I374 HydrophobicContact CD2-CG2 3.77Å; F356-I374 HydrophobicContact CE1-CG2 4.32Å; F356-I374 HydrophobicContact CE2-CG2 4.1Å; F356-I374 HydrophobicContact CG-CG2 3.73Å; F356-I374 HydrophobicContact CZ-CG2 4.36Å; V364-I374 HydrophobicContact CG1-CD1 4.05Å; V364-I374 HydrophobicContact CG2-CD1 3.93Å; P372-I374 HydrophobicContact CB-CD1 4.45Å; I374-L376 HydrophobicContact CG2-CD2 3.85Å; I374-L376 HydrophobicContact CG2-CG 4.38Å
375D97.8Very high97.1Very high24 Ų2444.9 Ų44.913%0.12823%0.234CC..  trans-10190.2171.6-164.9-21.8000110.6P343 C363 R377 R378 A379P343-D375 HydrophobicContact CB-CB 3.85Å; P343-D375 HydrophobicContact CG-CB 4.23Å; C363-D375 PolarHBondContact O-N 3.22Å; D375-R377 PolarHBondContact O-N 3.48Å; D375-R377 WeakPolarHBondContact OD1-CB 3.43Å; D375-R377 PolarHBondContact OD1-N 3.19Å; D375-R377 VanDerWaalsContact OD1-N 3.09Å; D375-R378 HydrophobicContact CB-CB 3.95Å; D375-R378 PolarHBondContact OD1-N 2.95Å; D375-R378 WeakPolarHBondContact OD2-CB 3.21Å; D375-A379 PolarHBondContact O-N 3.11Å; D375-A379 VanDerWaalsContact O-N 3.16Å
376L97.4Very high97.1Very high3 Ų343.9 Ų43.92%0.01624%0.242CC..Hα-helixtrans-65.2-29.9176.6-63.4-177.9000112.3I288 W307 Y346 F356 I374 T380I288-L376 HydrophobicContact CD1-CB 3.82Å; I288-L376 HydrophobicContact CG1-CB 4.49Å; W307-L376 HydrophobicContact CB-CD1 4.31Å; W307-L376 HydrophobicContact CB-CD2 3.8Å; Y346-L376 HydrophobicContact CD1-CD1 3.92Å; Y346-L376 HydrophobicContact CD1-CD2 4.47Å; Y346-L376 HydrophobicContact CD1-CG 3.93Å; Y346-L376 HydrophobicContact CE1-CD1 3.6Å; Y346-L376 HydrophobicContact CE1-CD2 4.07Å; Y346-L376 HydrophobicContact CE1-CG 3.87Å; F356-L376 HydrophobicContact CD1-CD2 4.33Å; F356-L376 HydrophobicContact CE1-CD2 3.45Å; F356-L376 VanDerWaalsContact CE1-CD2 3.45Å; F356-L376 HydrophobicContact CE2-CD2 4.34Å; F356-L376 HydrophobicContact CZ-CD2 3.46Å; F356-L376 VanDerWaalsContact CZ-CD2 3.46Å; I374-L376 HydrophobicContact CG2-CD2 3.85Å; I374-L376 HydrophobicContact CG2-CG 4.38Å; L376-T380 WeakPolarHBondContact O-CB 3.11Å; L376-T380 PolarHBondContact O-N 2.88Å; L376-T380 PolarHBondContact O-OG1 3.34Å
377R97.4Very high97.1Very high8 Ų841.6 Ų41.63%0.0324%0.235CC..Hα-helixtrans-71-48.9-176.3-57.4161.8-176-163.6-12.6109.3I288 L337 S340 D375 A379 T380 R381 D397 T407 F408I288-R377 HydrophobicContact CD1-CG 4.18Å; L337-R377 HydrophobicContact CD2-CB 4.1Å; S340-R377 PolarHBondContact O-NH2 2.85Å; S340-R377 PolarHBondContact OG-NE 3Å; S340-R377 PolarHBondContact OG-NH2 3.16Å; D375-R377 PolarHBondContact O-N 3.48Å; D375-R377 WeakPolarHBondContact OD1-CB 3.43Å; D375-R377 PolarHBondContact OD1-N 3.19Å; D375-R377 VanDerWaalsContact OD1-N 3.09Å; R377-A379 VanDerWaalsContact C-N 3.35Å; R377-A379 PolarHBondContact O-N 2.82Å; R377-T380 PolarHBondContact O-N 3.11Å; R377-R381 WeakPolarHBondContact O-CB 3.26Å; R377-R381 PolarHBondContact O-N 3.26Å; R377-D397 WeakPolarHBondContact CD-OD2 3.44Å; R377-D397 IonicContact CZ-OD2 3.08Å; R377-D397 IonicContact NE-OD2 2.74Å; R377-D397 IonicContact NH1-OD2 2.64Å; R377-D397 PolarHBondContact NH1-OD2 3.23Å; R377-T407 HydrophobicContact CG-CG2 4.5Å; R377-T407 PolarHBondContact NH1-O 2.93Å; R377-T407 PolarHBondContact NH2-O 3.01Å; R377-F408 VanDerWaalsContact NH2-C 3.27Å; R377-F408 PolarHBondContact NH2-O 3.39Å
378R97.6Very high97.2Very high74 Ų7440.7 Ų40.728%0.27924%0.241SC..Hα-helixtrans-58.9-44.9173.5-175.3177.1-173.176.310.4112.3D360 D375 T380 R381 V382D360-R378 IonicContact OD1-NE 3.67Å; D360-R378 IonicContact OD2-CZ 2.67Å; D360-R378 IonicContact OD2-NE 2.84Å; D360-R378 PolarHBondContact OD2-NE 3.46Å; D360-R378 IonicContact OD2-NH2 2.69Å; D360-R378 PolarHBondContact OD2-NH2 2.73Å; D375-R378 HydrophobicContact CB-CB 3.95Å; D375-R378 PolarHBondContact OD1-N 2.95Å; D375-R378 WeakPolarHBondContact OD2-CB 3.21Å; R378-T380 VanDerWaalsContact C-N 3.31Å; R378-T380 PolarHBondContact O-N 3.28Å; R378-R381 WeakPolarHBondContact O-CB 3.32Å; R378-R381 PolarHBondContact O-N 3.14Å; R378-V382 HydrophobicContact CG-CG2 4.31Å; R378-V382 WeakPolarHBondContact O-CG2 3.33Å; R378-V382 PolarHBondContact O-N 2.98Å
379A98.3Very high97.4Very high0 Ų033.7 Ų33.70%020%0.204CC..Hα-helixtrans-60.1-45.2178.800000111.1T310 F356 I359 C363 D375 R377 V382 L383T310-A379 HydrophobicContact CG2-CB 3.99Å; F356-A379 HydrophobicContact CD1-CB 3.69Å; F356-A379 HydrophobicContact CE1-CB 4.09Å; I359-A379 HydrophobicContact CD1-CB 4.26Å; C363-A379 VanDerWaalsContact SG-CA 3.56Å; C363-A379 PolarHBondContact SG-N 3.42Å; C363-A379 VanDerWaalsContact SG-N 3.39Å; D375-A379 PolarHBondContact O-N 3.11Å; D375-A379 VanDerWaalsContact O-N 3.16Å; R377-A379 VanDerWaalsContact C-N 3.35Å; R377-A379 PolarHBondContact O-N 2.82Å; A379-V382 PolarHBondContact O-N 3.45Å; A379-L383 VanDerWaalsContact O-CG 3.26Å; A379-L383 WeakPolarHBondContact O-CG 3.45Å; A379-L383 PolarHBondContact O-N 3.26Å
380T98.5Very high97.6Very high3 Ų334.4 Ų34.42%0.01820%0.204CC..Hα-helixtrans-61.7-45176.8-560000111.5T310 L337 L376 R377 R378 L383 L384T310-T380 PolarHBondContact OG1-OG1 2.82Å; L337-T380 HydrophobicContact CD2-CG2 4.15Å; L376-T380 WeakPolarHBondContact O-CB 3.11Å; L376-T380 PolarHBondContact O-N 2.88Å; L376-T380 PolarHBondContact O-OG1 3.34Å; R377-T380 PolarHBondContact O-N 3.11Å; R378-T380 VanDerWaalsContact C-N 3.31Å; R378-T380 PolarHBondContact O-N 3.28Å; T380-L383 PolarHBondContact O-N 3.14Å; T380-L384 HydrophobicContact CG2-CD1 3.93Å; T380-L384 WeakPolarHBondContact O-CD1 3.48Å; T380-L384 VanDerWaalsContact O-CG 3.28Å; T380-L384 WeakPolarHBondContact O-CG 3.23Å; T380-L384 PolarHBondContact O-N 2.96Å
381R98.3Very high97.8Very high24 Ų2433.8 Ų33.89%0.09119%0.193CC..Hα-helixtrans-56.4-53.3174.6174.1175.8-117.160.90.8112.4R377 R378 L383 L384 E385 I394 D396R377-R381 WeakPolarHBondContact O-CB 3.26Å; R377-R381 PolarHBondContact O-N 3.26Å; R378-R381 WeakPolarHBondContact O-CB 3.32Å; R378-R381 PolarHBondContact O-N 3.14Å; R381-L383 VanDerWaalsContact C-N 3.29Å; R381-L383 PolarHBondContact O-N 3.2Å; R381-L384 PolarHBondContact O-N 2.9Å; R381-L384 VanDerWaalsContact O-N 3.14Å; R381-E385 HydrophobicContact CG-CG 4.28Å; R381-E385 VanDerWaalsContact CG-OE1 3.29Å; R381-E385 WeakPolarHBondContact CG-OE1 3.45Å; R381-E385 IonicContact NE-OE1 3.98Å; R381-E385 WeakPolarHBondContact O-CG 3.5Å; R381-E385 PolarHBondContact O-N 3.14Å; R381-I394 PolarHBondContact NH2-O 2.88Å; R381-D396 IonicContact CZ-OD1 3.81Å; R381-D396 VanDerWaalsContact CZ-OD1 3.23Å; R381-D396 IonicContact CZ-OD2 2.75Å; R381-D396 IonicContact NE-OD1 2.72Å; R381-D396 IonicContact NE-OD2 3.58Å; R381-D396 IonicContact NH1-OD1 2.64Å; R381-D396 PolarHBondContact NH1-OD1 3.2Å; R381-D396 IonicContact NH1-OD2 3.85Å; R381-D396 PolarHBondContact NH1-OD2 3.37Å; R381-D396 IonicContact NH2-OD1 2.79Å; R381-D396 PolarHBondContact NH2-OD1 3.2Å
382V98.4Very high97.9Very high22 Ų2237 Ų3713%0.13320%0.202CC..Hα-helixtrans-59.4-42.4-178.5171.10000110.8I359 D360 R378 A379 T386I359-V382 HydrophobicContact CG2-CB 3.97Å; I359-V382 HydrophobicContact CG2-CG1 3.75Å; D360-V382 HydrophobicContact CB-CG2 4.17Å; R378-V382 HydrophobicContact CG-CG2 4.31Å; R378-V382 WeakPolarHBondContact O-CG2 3.33Å; R378-V382 PolarHBondContact O-N 2.98Å; A379-V382 PolarHBondContact O-N 3.45Å; V382-T386 HydrophobicContact CG1-CG2 4.2Å; V382-T386 WeakPolarHBondContact O-CB 3.09Å; V382-T386 WeakPolarHBondContact O-CG2 3.12Å; V382-T386 PolarHBondContact O-N 3.2Å; V382-T386 PolarHBondContact O-OG1 3.4Å
383L98.4Very high98Very high47 Ų4738.1 Ų38.125%0.24621%0.207CC..Hα-helixtrans-64.4-39.2177.1-69.2172.2000112.7T310 I359 A379 T380 R381 T386 S387T310-L383 HydrophobicContact CG2-CD1 4.23Å; T310-L383 WeakPolarHBondContact O-CD1 3.22Å; I359-L383 HydrophobicContact CD1-CD1 4.02Å; I359-L383 HydrophobicContact CD1-CD2 4.42Å; I359-L383 HydrophobicContact CD1-CG 4.36Å; I359-L383 HydrophobicContact CG1-CD2 4.39Å; I359-L383 HydrophobicContact CG2-CD2 4.29Å; I359-L383 HydrophobicContact CG2-CG 4.17Å; A379-L383 VanDerWaalsContact O-CG 3.26Å; A379-L383 WeakPolarHBondContact O-CG 3.45Å; A379-L383 PolarHBondContact O-N 3.26Å; T380-L383 PolarHBondContact O-N 3.14Å; R381-L383 VanDerWaalsContact C-N 3.29Å; R381-L383 PolarHBondContact O-N 3.2Å; L383-T386 PolarHBondContact O-OG1 3.31Å; L383-S387 VanDerWaalsContact O-CB 3.3Å; L383-S387 WeakPolarHBondContact O-CB 3.3Å; L383-S387 PolarHBondContact O-N 3.07Å; L383-S387 PolarHBondContact O-OG 3.43Å
384L98.6Very high98Very high1 Ų136.2 Ų36.21%0.00520%0.2CC..Hα-helixtrans-66.4-48.8175.7-72.6162.9000111.9F292 M316 V319 V335 L337 T380 R381 S387 G388 I389 I394F292-L384 HydrophobicContact CE1-CD2 4.24Å; M316-L384 HydrophobicContact CG-CD2 4.42Å; M316-L384 HydrophobicContact SD-CD2 3.74Å; V319-L384 HydrophobicContact CG2-CD2 4.24Å; V335-L384 HydrophobicContact CB-CD1 4.45Å; V335-L384 HydrophobicContact CG1-CD1 3.8Å; V335-L384 HydrophobicContact CG2-CD2 4.46Å; L337-L384 HydrophobicContact CD1-CD1 4.42Å; T380-L384 HydrophobicContact CG2-CD1 3.93Å; T380-L384 WeakPolarHBondContact O-CD1 3.48Å; T380-L384 VanDerWaalsContact O-CG 3.28Å; T380-L384 WeakPolarHBondContact O-CG 3.23Å; T380-L384 PolarHBondContact O-N 2.96Å; R381-L384 PolarHBondContact O-N 2.9Å; R381-L384 VanDerWaalsContact O-N 3.14Å; L384-S387 CarbonylContact O-C 3.58Å; L384-S387 PolarHBondContact O-N 3.35Å; L384-G388 PolarHBondContact O-N 3.41Å; L384-I389 HydrophobicContact CB-CB 4.26Å; L384-I389 HydrophobicContact CB-CG1 4.22Å; L384-I389 HydrophobicContact CD2-CG1 4.07Å; L384-I389 PolarHBondContact O-N 3Å; L384-I389 VanDerWaalsContact O-N 3.14Å; L384-I394 HydrophobicContact CB-CD1 3.69Å; L384-I394 HydrophobicContact CD1-CD1 4.32Å; L384-I394 HydrophobicContact CD1-CG2 4.37Å
385E98.3Very high98Very high68 Ų6836.7 Ų36.732%0.31820%0.202SC..Hα-helixtrans-62.8-48.1-179.2-70.7178.1-17800111.7R381 S387 G388 P391 I394R381-E385 HydrophobicContact CG-CG 4.28Å; R381-E385 VanDerWaalsContact CG-OE1 3.29Å; R381-E385 WeakPolarHBondContact CG-OE1 3.45Å; R381-E385 IonicContact NE-OE1 3.98Å; R381-E385 WeakPolarHBondContact O-CG 3.5Å; R381-E385 PolarHBondContact O-N 3.14Å; E385-S387 PolarHBondContact O-N 3.01Å; E385-S387 VanDerWaalsContact O-N 3.14Å; E385-G388 PolarHBondContact O-N 2.74Å; E385-P391 HydrophobicContact CG-CB 4.49Å; E385-P391 HydrophobicContact CG-CG 4.2Å; E385-I394 HydrophobicContact CG-CD1 3.61Å
386T97.8Very high97.9Very high108 Ų10835.7 Ų35.766%0.66320%0.197SC*.Hα-helixtrans-63.1-20.8178.252.80000113.1V382 L383V382-T386 HydrophobicContact CG1-CG2 4.2Å; V382-T386 WeakPolarHBondContact O-CB 3.09Å; V382-T386 WeakPolarHBondContact O-CG2 3.12Å; V382-T386 PolarHBondContact O-N 3.2Å; V382-T386 PolarHBondContact O-OG1 3.4Å; L383-T386 PolarHBondContact O-OG1 3.31Å
387S97.3Very high97.5Very high59 Ų5937.9 Ų37.941%0.41321%0.209SC..THydrogen-bonded Turntrans-96.15.1176.5-54.60000113.8M316 L383 L384 E385M316-S387 WeakPolarHBondContact SD-CB 3.44Å; L383-S387 VanDerWaalsContact O-CB 3.3Å; L383-S387 WeakPolarHBondContact O-CB 3.3Å; L383-S387 PolarHBondContact O-N 3.07Å; L383-S387 PolarHBondContact O-OG 3.43Å; L384-S387 CarbonylContact O-C 3.58Å; L384-S387 PolarHBondContact O-N 3.35Å; E385-S387 PolarHBondContact O-N 3.01Å; E385-S387 VanDerWaalsContact O-N 3.14Å
388G98.1Very high97.1Very high35 Ų3540.9 Ų40.936%0.36123%0.231SC..THydrogen-bonded Turntrans105.1-0.2167.500000116.4V330 L384 E385 L390V330-G388 WeakPolarHBondContact CG1-O 3.37Å; L384-G388 PolarHBondContact O-N 3.41Å; E385-G388 PolarHBondContact O-N 2.74Å; G388-L390 PolarHBondContact O-N 3.23Å
389I98.7Very high96.4Very high3 Ų339 Ų392%0.01523%0.228CC..  trans-65.3133.7168.1-59-72.3000107.6V319 V330 I333 V335 L384 N393 I394V319-I389 HydrophobicContact CG1-CD1 4.09Å; V319-I389 HydrophobicContact CG2-CD1 4Å; V319-I389 HydrophobicContact CG2-CG1 4.49Å; V330-I389 HydrophobicContact CG1-CD1 3.61Å; V330-I389 HydrophobicContact CG1-CG1 4Å; V330-I389 WeakPolarHBondContact O-CD1 3.4Å; I333-I389 HydrophobicContact CB-CD1 3.89Å; I333-I389 HydrophobicContact CG2-CD1 3.99Å; V335-I389 HydrophobicContact CG2-CD1 4.25Å; V335-I389 HydrophobicContact CG2-CG1 4.49Å; V335-I389 HydrophobicContact CG2-CG2 4.03Å; L384-I389 HydrophobicContact CB-CB 4.26Å; L384-I389 HydrophobicContact CB-CG1 4.22Å; L384-I389 HydrophobicContact CD2-CG1 4.07Å; L384-I389 PolarHBondContact O-N 3Å; L384-I389 VanDerWaalsContact O-N 3.14Å; I389-N393 HydrophobicContact CG2-CB 4.29Å; I389-I394 HydrophobicContact CB-CD1 4.25Å; I389-I394 HydrophobicContact CB-CG1 4.45Å; I389-I394 HydrophobicContact CG2-CD1 3.82Å; I389-I394 HydrophobicContact CG2-CG1 3.49Å; I389-I394 VanDerWaalsContact CG2-CG1 3.49Å
390L98.5Very high95.5Very high53 Ų5345.5 Ų45.528%0.27727%0.268SS..  trans-68.3135.7-179.7-60.7-179.6000110.3K331 G388 E392 N393K331-L390 HydrophobicContact CB-CD1 4.21Å; K331-L390 HydrophobicContact CB-CG 4.29Å; K331-L390 HydrophobicContact CG-CD2 4.29Å; K331-L390 HydrophobicContact CG-CG 4.41Å; K331-L390 WeakPolarHBondContact O-CD1 3.47Å; G388-L390 PolarHBondContact O-N 3.23Å; L390-E392 HydrophobicContact CB-CG 4.13Å; L390-E392 PolarHBondContact O-N 3.43Å; L390-N393 HydrophobicContact CB-CB 4.22Å; L390-N393 WeakPolarHBondContact O-CA 3.44Å; L390-N393 WeakPolarHBondContact O-CB 3.26Å; L390-N393 PolarHBondContact O-N 3.2Å
391P97.3Very high94.9Very high70 Ų7048.4 Ų48.446%0.45528%0.283SS..G310 helixtrans-54-37.5179.2-28.435.7000114E385 N393 I394E385-P391 HydrophobicContact CG-CB 4.49Å; E385-P391 HydrophobicContact CG-CG 4.2Å; P391-N393 PolarHBondContact O-N 2.87Å; P391-I394 PolarHBondContact O-N 3.27Å
392E96.9Very high93.8Very high128 Ų12855.2 Ų55.260%0.59832%0.316SS*.G310 helixtrans-66.6-20175.660.6-93-143.600114L390 I394L390-E392 HydrophobicContact CB-CG 4.13Å; L390-E392 PolarHBondContact O-N 3.43Å; E392-I394 VanDerWaalsContact C-N 3.33Å
393N98.3Very high93Very high22 Ų2261.6 Ų61.612%0.11835%0.349CS..G310 helixtrans-91.36.6177.5-71.50.8000112.7L187 K331 I333 L334 V335 I389 L390 P391L187-N393 WeakPolarHBondContact CD2-O 3.38Å; K331-N393 PolarHBondContact O-ND2 3.49Å; I333-N393 WeakPolarHBondContact O-CB 3.47Å; I333-N393 PolarHBondContact O-ND2 2.55Å; L334-N393 CarbonylContact C-O 3.54Å; L334-N393 WeakPolarHBondContact CA-O 3.13Å; L334-N393 HydrophobicContact CD2-CB 3.95Å; V335-N393 PolarHBondContact N-O 3.49Å; I389-N393 HydrophobicContact CG2-CB 4.29Å; L390-N393 HydrophobicContact CB-CB 4.22Å; L390-N393 WeakPolarHBondContact O-CA 3.44Å; L390-N393 WeakPolarHBondContact O-CB 3.26Å; L390-N393 PolarHBondContact O-N 3.2Å; P391-N393 PolarHBondContact O-N 2.87Å
394I98.3Very high92.3Very high8 Ų863.7 Ų63.74%0.04136%0.358CS..EExtended strand (participates in β ladder)trans-114.8122176.7-46.7174.1000109.3V335 L337 R381 L384 E385 I389 P391 E392V335-I394 HydrophobicContact CB-CG1 4.48Å; V335-I394 HydrophobicContact CB-CG2 4.34Å; V335-I394 CarbonylContact O-C 3.56Å; V335-I394 VanDerWaalsContact O-CA 3.32Å; V335-I394 WeakPolarHBondContact O-CA 3.47Å; L337-I394 HydrophobicContact CD1-CG2 3.99Å; R381-I394 PolarHBondContact NH2-O 2.88Å; L384-I394 HydrophobicContact CB-CD1 3.69Å; L384-I394 HydrophobicContact CD1-CD1 4.32Å; L384-I394 HydrophobicContact CD1-CG2 4.37Å; E385-I394 HydrophobicContact CG-CD1 3.61Å; I389-I394 HydrophobicContact CB-CD1 4.25Å; I389-I394 HydrophobicContact CB-CG1 4.45Å; I389-I394 HydrophobicContact CG2-CD1 3.82Å; I389-I394 HydrophobicContact CG2-CG1 3.49Å; I389-I394 VanDerWaalsContact CG2-CG1 3.49Å; P391-I394 PolarHBondContact O-N 3.27Å; E392-I394 VanDerWaalsContact C-N 3.33Å
395Q97.4Very high91.8Very high10 Ų1065.3 Ų65.35%0.04737%0.367CS..EExtended strand (participates in β ladder)trans-105.6123.5169.7180169-900110.5S185 L187 V335 V336 L337 V399 Q404S185-Q395 VanDerWaalsContact CB-OE1 3.31Å; S185-Q395 PolarHBondContact OG-OE1 3.09Å; L187-Q395 HydrophobicContact CD2-CB 3.88Å; V335-Q395 PolarHBondContact O-N 3.43Å; V336-Q395 HydrophobicContact CG1-CB 4.37Å; V336-Q395 HydrophobicContact CG2-CB 4.28Å; L337-Q395 PolarHBondContact N-O 3.09Å; Q395-V399 HydrophobicContact CG-CG2 3.93Å; Q395-Q404 PolarHBondContact NE2-O 3.42Å
396D95.3Very high91.7Very high3 Ų362.5 Ų62.52%0.01635%0.353CS..SBendtrans-138.7-145.3170.470.3-5.8000110.7L337 R381 S398 T407L337-D396 HydrophobicContact CB-CB 4.02Å; L337-D396 HydrophobicContact CD2-CB 3.97Å; L337-D396 HydrophobicContact CG-CB 4.41Å; R381-D396 IonicContact CZ-OD1 3.81Å; R381-D396 VanDerWaalsContact CZ-OD1 3.23Å; R381-D396 IonicContact CZ-OD2 2.75Å; R381-D396 IonicContact NE-OD1 2.72Å; R381-D396 IonicContact NE-OD2 3.58Å; R381-D396 IonicContact NH1-OD1 2.64Å; R381-D396 PolarHBondContact NH1-OD1 3.2Å; R381-D396 IonicContact NH1-OD2 3.85Å; R381-D396 PolarHBondContact NH1-OD2 3.37Å; R381-D396 IonicContact NH2-OD1 2.79Å; R381-D396 PolarHBondContact NH2-OD1 3.2Å; D396-S398 VanDerWaalsContact C-N 3.31Å; D396-S398 VanDerWaalsContact OD1-CB 3.23Å; D396-S398 WeakPolarHBondContact OD1-CB 3.36Å; D396-S398 PolarHBondContact OD1-N 2.7Å; D396-S398 PolarHBondContact OD1-OG 2.62Å; D396-S398 VanDerWaalsContact OD1-OG 3.09Å; D396-T407 WeakPolarHBondContact CA-OG1 3.43Å; D396-T407 HydrophobicContact CB-CG2 4.43Å; D396-T407 PolarHBondContact O-OG1 3.41Å
397D90.5Very high91.5Very high50 Ų5057.4 Ų57.427%0.26732%0.323SS..THydrogen-bonded Turntrans-85.35.2176.759.9-11.9000114.3R377 V399 T407R377-D397 WeakPolarHBondContact CD-OD2 3.44Å; R377-D397 IonicContact CZ-OD2 3.08Å; R377-D397 IonicContact NE-OD2 2.74Å; R377-D397 IonicContact NH1-OD2 2.64Å; R377-D397 PolarHBondContact NH1-OD2 3.23Å; D397-V399 PolarHBondContact O-N 2.82Å; D397-T407 HydrophobicContact CB-CG2 4.07Å
398S87.8Confident91.4Very high71 Ų7156.5 Ų56.550%0.49731%0.311SS..THydrogen-bonded Turntrans-71.6-14.7167.683.20000112.8D396 T400D396-S398 VanDerWaalsContact C-N 3.31Å; D396-S398 VanDerWaalsContact OD1-CB 3.23Å; D396-S398 WeakPolarHBondContact OD1-CB 3.36Å; D396-S398 PolarHBondContact OD1-N 2.7Å; D396-S398 PolarHBondContact OD1-OG 2.62Å; D396-S398 VanDerWaalsContact OD1-OG 3.09Å; S398-T400 PolarHBondContact O-N 3.09Å
399V83.2Confident91.4Very high35 Ų3555.3 Ų55.321%0.21230%0.297CS..  trans-71.5108.9172.7179.50000109.1Q395 D397 D401 Q404Q395-V399 HydrophobicContact CG-CG2 3.93Å; D397-V399 PolarHBondContact O-N 2.82Å; V399-D401 HydrophobicContact CG1-CB 4.49Å; V399-Q404 HydrophobicContact CG1-CB 3.87Å
400T80.4Confident91.4Very high135 Ų13555.2 Ų55.283%0.82830%0.297SS*.  trans-85.9-18.4-175.656.30000113.7S398 Q402S398-T400 PolarHBondContact O-N 3.09Å; T400-Q402 PolarHBondContact O-N 2.75Å; T400-Q402 VanDerWaalsContact O-N 3.13Å
401D84.4Confident91.4Very high64 Ų6453.3 Ų53.334%0.34229%0.289SS..  trans-66.6110.1170.4-177.4-4.7000109.3V399 N403 Q404 N405V399-D401 HydrophobicContact CG1-CB 4.49Å; D401-N403 PolarHBondContact O-N 3.31Å; D401-N403 VanDerWaalsContact O-N 3.17Å; D401-N403 WeakPolarHBondContact OD1-CB 3.41Å; D401-N403 PolarHBondContact OD1-N 2.82Å; D401-Q404 HydrophobicContact CB-CB 4.26Å; D401-Q404 HydrophobicContact CB-CG 4.34Å; D401-Q404 PolarHBondContact O-N 3.28Å; D401-Q404 WeakPolarHBondContact OD2-CG 3.29Å; D401-Q404 PolarHBondContact OD2-NE2 3.5Å; D401-N405 PolarHBondContact O-N 3.43Å
402Q76.9Confident91.4Very high168 Ų16853 Ų5379%0.78529%0.287SS*.THydrogen-bonded Turntrans-61.2-24.6-178-67.1-173.5-11.700113.2T400 Q404T400-Q402 PolarHBondContact O-N 2.75Å; T400-Q402 VanDerWaalsContact O-N 3.13Å; Q402-Q404 VanDerWaalsContact C-N 3.3Å
403N80.6Confident91.4Very high156 Ų15650 Ų5083%0.83427%0.273SS*.THydrogen-bonded Turntrans-78-19178-62.5-43.1000112.5D401D401-N403 PolarHBondContact O-N 3.31Å; D401-N403 VanDerWaalsContact O-N 3.17Å; D401-N403 WeakPolarHBondContact OD1-CB 3.41Å; D401-N403 PolarHBondContact OD1-N 2.82Å
404Q83.4Confident91.3Very high90 Ų9051.4 Ų51.442%0.42128%0.284SS..THydrogen-bonded Turntrans-107.8-15.5-179.8-62.5-175.745.500112.6Q395 V399 D401 Q402 I406Q395-Q404 PolarHBondContact NE2-O 3.42Å; V399-Q404 HydrophobicContact CG1-CB 3.87Å; D401-Q404 HydrophobicContact CB-CB 4.26Å; D401-Q404 HydrophobicContact CB-CG 4.34Å; D401-Q404 PolarHBondContact O-N 3.28Å; D401-Q404 WeakPolarHBondContact OD2-CG 3.29Å; D401-Q404 PolarHBondContact OD2-NE2 3.5Å; Q402-Q404 VanDerWaalsContact C-N 3.3Å; Q404-I406 PolarHBondContact O-N 3.09Å
405N89.4Confident91.1Very high36 Ų3657.6 Ų57.619%0.19332%0.317CS..  trans-71.4119.8178-171.1-1.5000110.6D401 T407 F408D401-N405 PolarHBondContact O-N 3.43Å; N405-T407 PolarHBondContact OD1-N 3.17Å; N405-F408 WeakPolarHBondContact O-CE2 3.47Å; N405-F408 WeakPolarHBondContact O-CZ 3.5Å
406I94.4Very high91Very high8 Ų861.3 Ų61.34%0.04133%0.333CS..  trans-116-1.2175.663.9175.4000112.4L183 F197 V336 P339 Q404 F408L183-I406 HydrophobicContact CB-CB 4.12Å; L183-I406 HydrophobicContact CB-CG2 3.99Å; L183-I406 HydrophobicContact CD1-CB 4.45Å; F197-I406 HydrophobicContact CD2-CD1 3.84Å; F197-I406 HydrophobicContact CE2-CD1 3.68Å; V336-I406 HydrophobicContact CG1-CD1 3.64Å; V336-I406 HydrophobicContact CG1-CG1 4.5Å; P339-I406 WeakPolarHBondContact CD-O 3.3Å; P339-I406 VanDerWaalsContact CG-O 3.3Å; P339-I406 WeakPolarHBondContact CG-O 3.39Å; Q404-I406 PolarHBondContact O-N 3.09Å; I406-F408 VanDerWaalsContact C-N 3.29Å; I406-F408 PolarHBondContact O-N 3.39Å; I406-F408 VanDerWaalsContact O-N 3.16Å
407T94.4Very high91.1Very high2 Ų261.2 Ų61.21%0.01233%0.332CS..  trans-94.454.5-173.2-42.10000110.4L337 R377 D396 D397 N405L337-T407 HydrophobicContact CB-CG2 4.4Å; L337-T407 PolarHBondContact O-OG1 3.13Å; R377-T407 HydrophobicContact CG-CG2 4.5Å; R377-T407 PolarHBondContact NH1-O 2.93Å; R377-T407 PolarHBondContact NH2-O 3.01Å; D396-T407 WeakPolarHBondContact CA-OG1 3.43Å; D396-T407 HydrophobicContact CB-CG2 4.43Å; D396-T407 PolarHBondContact O-OG1 3.41Å; D397-T407 HydrophobicContact CB-CG2 4.07Å; N405-T407 PolarHBondContact OD1-N 3.17Å
408F96.3Very high91.5Very high39 Ų3958.8 Ų58.817%0.17132%0.319CS..  trans-70149.4-176.5-65.8-77000112.7L183 P339 S340 R377 N405 I406 T410 H413 F417L183-F408 HydrophobicContact CD1-CD2 3.78Å; L183-F408 HydrophobicContact CD1-CE2 3.88Å; P339-F408 WeakPolarHBondContact CA-O 3.23Å; S340-F408 PolarHBondContact N-O 2.69Å; S340-F408 VanDerWaalsContact N-O 3.16Å; R377-F408 VanDerWaalsContact NH2-C 3.27Å; R377-F408 PolarHBondContact NH2-O 3.39Å; N405-F408 WeakPolarHBondContact O-CE2 3.47Å; N405-F408 WeakPolarHBondContact O-CZ 3.5Å; I406-F408 VanDerWaalsContact C-N 3.29Å; I406-F408 PolarHBondContact O-N 3.39Å; I406-F408 VanDerWaalsContact O-N 3.16Å; F408-T410 PolarHBondContact O-N 3.25Å; F408-H413 AromaticContact CD1-NE2 3.75Å; F408-F417 HydrophobicContact CB-CD2 4.41Å; F408-F417 HydrophobicContact CB-CE2 3.51Å; F408-F417 HydrophobicContact CB-CZ 4.07Å; F408-F417 HydrophobicContact CD2-CE2 4.18Å; F408-F417 HydrophobicContact CD2-CZ 4.04Å; F408-F417 HydrophobicContact CG-CE2 4.08Å; F408-F417 HydrophobicContact CG-CZ 4.39Å
409C97.8Very high92Very high11 Ų1155.4 Ų55.47%0.07430%0.296CS..BIsolated β-bridgetrans-72.1110.4169.5-1800000110.5S340 G342 C344 A411 C412 H413S340-C409 CarbonylContact O-C 3.33Å; S340-C409 VanDerWaalsContact O-CA 3.22Å; S340-C409 WeakPolarHBondContact O-CA 3.48Å; G342-C409 PolarHBondContact N-SG 3.16Å; C344-C409 PolarHBondContact SG-SG 2.92Å; C409-A411 VanDerWaalsContact C-N 3.26Å; C409-A411 PolarHBondContact O-N 3.47Å; C409-C412 HydrophobicContact CB-CB 3.89Å; C409-C412 PolarHBondContact O-N 2.91Å; C409-C412 VanDerWaalsContact O-N 3.09Å; C409-H413 PolarHBondContact O-CD2 3.09Å; C409-H413 PolarHBondContact O-N 2.96Å
410T98.3Very high92.5Very high0 Ų058 Ų580%031%0.305CS..THydrogen-bonded Turntrans-57.2-38-178.644.50000112.8D286 P339 S340 V341 F408 F417 R422D286-T410 PolarHBondContact OD1-OG1 2.87Å; P339-T410 HydrophobicContact CB-CG2 3.97Å; S340-T410 PolarHBondContact O-N 2.82Å; S340-T410 PolarHBondContact O-OG1 2.97Å; V341-T410 PolarHBondContact N-OG1 2.96Å; F408-T410 PolarHBondContact O-N 3.25Å; T410-F417 HydrophobicContact CG2-CB 3.79Å; T410-F417 HydrophobicContact CG2-CD2 4.38Å; T410-F417 HydrophobicContact CG2-CG 3.99Å; T410-R422 PolarHBondContact O-NH1 3.16Å
411A97.7Very high93.2Very high13 Ų1356.3 Ų56.311%0.10729%0.286CS..THydrogen-bonded Turntrans-67.3-39.6176.900000112.6V341 C345 C409 H413 F421 R422V341-A411 HydrophobicContact CG2-CB 4.19Å; C345-A411 HydrophobicContact CB-CB 4.01Å; C409-A411 VanDerWaalsContact C-N 3.26Å; C409-A411 PolarHBondContact O-N 3.47Å; A411-H413 VanDerWaalsContact C-N 3.34Å; A411-H413 PolarHBondContact O-N 2.98Å; A411-F421 HydrophobicContact CB-CD1 4.16Å; A411-R422 PolarHBondContact O-NH1 3.39Å; A411-R422 VanDerWaalsContact O-NH1 3.11Å
412C97.9Very high93.7Very high63 Ų6356.8 Ų56.843%0.42628%0.284SS..THydrogen-bonded Turntrans-75.3-18-179.5-67.20000114.3C345 C409 P414C345-C412 PolarHBondContact SG-SG 3.16Å; C409-C412 HydrophobicContact CB-CB 3.89Å; C409-C412 PolarHBondContact O-N 2.91Å; C409-C412 VanDerWaalsContact O-N 3.09Å; C412-P414 VanDerWaalsContact O-CD 3.23Å; C412-P414 WeakPolarHBondContact O-CD 3.33Å
413H96.8Very high94.4Very high67 Ų6751.2 Ų51.231%0.3126%0.259SS..  trans-119.567.9-175.8-63-74.7000111.4F408 C409 A411 D415 K416 F417F408-H413 AromaticContact CD1-NE2 3.75Å; C409-H413 PolarHBondContact O-CD2 3.09Å; C409-H413 PolarHBondContact O-N 2.96Å; A411-H413 VanDerWaalsContact C-N 3.34Å; A411-H413 PolarHBondContact O-N 2.98Å; H413-D415 PolarHBondContact O-N 3.23Å; H413-K416 HydrophobicContact CB-CB 4.23Å; H413-K416 PolarHBondContact O-N 2.79Å; H413-F417 HydrophobicContact CB-CD2 3.9Å; H413-F417 HydrophobicContact CB-CE2 4.19Å; H413-F417 PolarHBondContact O-N 3.49Å
414P95.8Very high94.9Very high51 Ų5145.3 Ų45.333%0.33124%0.235SC..THydrogen-bonded Turntrans-60.7-28-176.625.7-35.3000114.3R200 C412 K416R200-P414 WeakPolarHBondContact CD-O 3.19Å; R200-P414 PolarHBondContact NH1-O 3.43Å; C412-P414 VanDerWaalsContact O-CD 3.23Å; C412-P414 WeakPolarHBondContact O-CD 3.33Å; P414-K416 VanDerWaalsContact C-N 3.29Å; P414-K416 PolarHBondContact O-N 2.64Å
415D94.4Very high95.1Very high137 Ų13746.6 Ų46.673%0.73325%0.249SC*.THydrogen-bonded Turntrans-73.3-23.5177.5-55.2-43.8000112.5H413H413-D415 PolarHBondContact O-N 3.23Å
416K95.8Very high95Very high89 Ų8947.9 Ų47.939%0.38726%0.256SS..THydrogen-bonded Turntrans-102.9-31.3-176.9-64.7-172.7178.2-174.20113.4T199 R200 H413 P414T199-K416 CarbonylContact C-O 3.57Å; T199-K416 WeakPolarHBondContact CA-O 3.41Å; T199-K416 WeakPolarHBondContact CB-O 3.26Å; T199-K416 HydrophobicContact CG2-CB 4.43Å; R200-K416 PolarHBondContact N-O 2.79Å; H413-K416 HydrophobicContact CB-CB 4.23Å; H413-K416 PolarHBondContact O-N 2.79Å; P414-K416 VanDerWaalsContact C-N 3.29Å; P414-K416 PolarHBondContact O-N 2.64Å
417F97.9Very high95Very high0 Ų049.1 Ų49.10%026%0.261CS..  trans-138.8150-170.5-52.8-70.4000113.8L183 T199 P339 F408 T410 H413 R422 Q430L183-F417 HydrophobicContact CD1-CE1 4.14Å; L183-F417 HydrophobicContact CD1-CZ 3.73Å; T199-F417 HydrophobicContact CG2-CE1 4.07Å; T199-F417 HydrophobicContact CG2-CZ 4.47Å; P339-F417 HydrophobicContact CB-CD1 3.92Å; P339-F417 HydrophobicContact CB-CD2 4.47Å; P339-F417 HydrophobicContact CB-CE1 3.58Å; P339-F417 HydrophobicContact CB-CE2 4.18Å; P339-F417 HydrophobicContact CB-CG 4.35Å; P339-F417 HydrophobicContact CB-CZ 3.71Å; P339-F417 HydrophobicContact CG-CD1 4.24Å; P339-F417 HydrophobicContact CG-CE1 3.44Å; P339-F417 VanDerWaalsContact CG-CE1 3.44Å; P339-F417 HydrophobicContact CG-CE2 4.47Å; P339-F417 HydrophobicContact CG-CZ 3.58Å; F408-F417 HydrophobicContact CB-CD2 4.41Å; F408-F417 HydrophobicContact CB-CE2 3.51Å; F408-F417 HydrophobicContact CB-CZ 4.07Å; F408-F417 HydrophobicContact CD2-CE2 4.18Å; F408-F417 HydrophobicContact CD2-CZ 4.04Å; F408-F417 HydrophobicContact CG-CE2 4.08Å; F408-F417 HydrophobicContact CG-CZ 4.39Å; T410-F417 HydrophobicContact CG2-CB 3.79Å; T410-F417 HydrophobicContact CG2-CD2 4.38Å; T410-F417 HydrophobicContact CG2-CG 3.99Å; H413-F417 HydrophobicContact CB-CD2 3.9Å; H413-F417 HydrophobicContact CB-CE2 4.19Å; H413-F417 PolarHBondContact O-N 3.49Å; F417-R422 PolarHBondContact O-NH2 2.72Å; F417-Q430 HydrophobicContact CD1-CG 4.49Å
418Y98Very high95.1Very high0 Ų049 Ų490%026%0.261CS..  trans-75.5150.6162.5-51.1-76.7000110R200 T209 L210 S211 S212 C213 N214 G428 Q430R200-Y418 HydrophobicContact CB-CD1 4.23Å; R200-Y418 HydrophobicContact CB-CD2 3.82Å; R200-Y418 HydrophobicContact CB-CE1 3.9Å; R200-Y418 HydrophobicContact CB-CE2 3.42Å; R200-Y418 VanDerWaalsContact CB-CE2 3.42Å; R200-Y418 HydrophobicContact CB-CG 4.21Å; R200-Y418 VanDerWaalsContact CB-CZ 3.48Å; T209-Y418 WeakPolarHBondContact O-CD1 3.21Å; L210-Y418 WeakPolarHBondContact O-CE1 3.33Å; L210-Y418 VanDerWaalsContact O-CZ 3.27Å; L210-Y418 PolarHBondContact O-OH 3.19Å; S211-Y418 WeakPolarHBondContact O-CE1 3.47Å; S211-Y418 PolarHBondContact O-OH 3.37Å; S212-Y418 PolarHBondContact N-OH 3.34Å; C213-Y418 VanDerWaalsContact C-OH 3.25Å; C213-Y418 PolarHBondContact N-OH 3.07Å; C213-Y418 VanDerWaalsContact N-OH 3.15Å; N214-Y418 PolarHBondContact N-OH 3.48Å; Y418-G428 WeakPolarHBondContact CB-O 3.2Å; Y418-G428 VanDerWaalsContact CD1-CA 3.47Å; Y418-Q430 VanDerWaalsContact CB-OE1 3.24Å; Y418-Q430 PolarHBondContact O-NE2 2.64Å; Y418-Q430 VanDerWaalsContact O-NE2 3.08Å; Y418-Q430 PolarHBondContact O-OE1 2.74Å
419S97.6Very high95.1Very high0 Ų047.6 Ų47.60%026%0.255CS..  trans-148117.5178.8172.40000109.6D286 F421 R422 D423D286-S419 VanDerWaalsContact CG-OG 3.23Å; D286-S419 WeakPolarHBondContact OD1-CA 3.17Å; D286-S419 VanDerWaalsContact OD1-CB 3.23Å; D286-S419 WeakPolarHBondContact OD1-CB 3.48Å; D286-S419 PolarHBondContact OD1-OG 2.91Å; D286-S419 PolarHBondContact OD2-OG 3.48Å; S419-F421 VanDerWaalsContact C-N 3.33Å; S419-R422 PolarHBondContact O-N 3.47Å; S419-R422 PolarHBondContact OG-N 3.07Å; S419-D423 PolarHBondContact N-OD2 3.38Å; S419-D423 WeakPolarHBondContact O-CB 3.24Å; S419-D423 PolarHBondContact O-N 3.16Å
420H95.3Very high95.1Very high89 Ų8947.2 Ų47.241%0.41225%0.252SS..Hα-helixtrans-64.1-38.3174.5169.6-99.4000112.1A285 D286 R422 G424 F427A285-H420 PolarHBondContact O-N 3.03Å; D286-H420 PolarHBondContact OD2-N 3.29Å; H420-R422 VanDerWaalsContact C-N 3.32Å; H420-R422 PolarHBondContact O-N 3.31Å; H420-G424 PolarHBondContact CD2-O 3.2Å; H420-G424 VanDerWaalsContact O-CA 3.26Å; H420-G424 WeakPolarHBondContact O-CA 3.45Å; H420-G424 PolarHBondContact O-N 3.01Å; H420-F427 HydrophobicContact CB-CD1 3.87Å; H420-F427 HydrophobicContact CB-CD2 4.16Å; H420-F427 HydrophobicContact CB-CE1 3.84Å; H420-F427 HydrophobicContact CB-CE2 4.24Å; H420-F427 HydrophobicContact CB-CG 4.03Å; H420-F427 HydrophobicContact CB-CZ 4.06Å; H420-F427 AromaticContact CD2-CD1 3.54Å; H420-F427 AromaticContact CD2-CE1 3.31Å; H420-F427 WeakPolarHBondContact CD2-CE1 3.3Å; H420-F427 AromaticContact CG-CE1 3.86Å
421F94.3Very high95.1Very high99 Ų9947.3 Ų47.343%0.43425%0.253SS..Hα-helixtrans-59.7-41.3176.9178.9-93.1000111.6D286 C345 Y346 A411 S419D286-F421 WeakPolarHBondContact OD2-CA 3.17Å; D286-F421 WeakPolarHBondContact OD2-CB 3.39Å; D286-F421 PolarHBondContact OD2-N 2.97Å; C345-F421 HydrophobicContact CB-CD1 4.42Å; C345-F421 HydrophobicContact CB-CE1 4.02Å; C345-F421 WeakPolarHBondContact O-CZ 3.35Å; Y346-F421 HydrophobicContact CD2-CD2 4.27Å; A411-F421 HydrophobicContact CB-CD1 4.16Å; S419-F421 VanDerWaalsContact C-N 3.33Å
422R94.8Very high95.2Very high75 Ų7546.7 Ų46.728%0.28325%0.248SC..Hα-helixtrans-82.6-47177.9-177.1-171.661.7-126.3-4.4112.5T410 A411 F417 S419 H420T410-R422 PolarHBondContact O-NH1 3.16Å; A411-R422 PolarHBondContact O-NH1 3.39Å; A411-R422 VanDerWaalsContact O-NH1 3.11Å; F417-R422 PolarHBondContact O-NH2 2.72Å; S419-R422 PolarHBondContact O-N 3.47Å; S419-R422 PolarHBondContact OG-N 3.07Å; H420-R422 VanDerWaalsContact C-N 3.32Å; H420-R422 PolarHBondContact O-N 3.31Å
423D92.1Very high95.2Very high50 Ų5043.8 Ų43.827%0.26723%0.228SC..Hα-helixtrans-97.3-6.2-165.3-54.4-34.4000113.1S419 F427S419-D423 PolarHBondContact N-OD2 3.38Å; S419-D423 WeakPolarHBondContact O-CB 3.24Å; S419-D423 PolarHBondContact O-N 3.16Å; D423-F427 HydrophobicContact CB-CB 4.34Å
424G90.7Very high95.3Very high32 Ų3240.6 Ų40.633%0.3321%0.213SC..THydrogen-bonded Turntrans77.2-153.9-179.100000113.2H420 N426 F427H420-G424 PolarHBondContact CD2-O 3.2Å; H420-G424 VanDerWaalsContact O-CA 3.26Å; H420-G424 WeakPolarHBondContact O-CA 3.45Å; H420-G424 PolarHBondContact O-N 3.01Å; G424-N426 VanDerWaalsContact C-N 3.33Å; G424-N426 PolarHBondContact O-N 3.1Å; G424-F427 VanDerWaalsContact O-CD1 3.22Å; G424-F427 WeakPolarHBondContact O-CD1 3.43Å
425T87Confident95.5Very high118 Ų11838.3 Ų38.372%0.72420%0.198SC*.THydrogen-bonded Turntrans-74.2-20.7-169.353.10000114.5F427T425-F427 WeakPolarHBondContact O-CD1 3.22Å
426N88.3Confident95.7Very high62 Ų6231.9 Ų31.933%0.33216%0.164SC..SBendtrans-103.186.8177.5-172.328.8000109.1T209 G424T209-N426 WeakPolarHBondContact CB-O 3.19Å; T209-N426 WeakPolarHBondContact CG2-O 3.41Å; T209-N426 PolarHBondContact OG1-ND2 3.16Å; T209-N426 PolarHBondContact OG1-O 3.38Å; T209-N426 VanDerWaalsContact OG1-O 3.14Å; G424-N426 VanDerWaalsContact C-N 3.33Å; G424-N426 PolarHBondContact O-N 3.1Å
427F93.6Very high95.6Very high34 Ų3431.3 Ų31.315%0.14916%0.162CC..  trans-133.2145.7-175.265.5-81.8000110.7L210 R221 A285 H420 D423 G424 T425L210-F427 VanDerWaalsContact CD2-O 3.3Å; L210-F427 WeakPolarHBondContact CD2-O 3.43Å; R221-F427 VanDerWaalsContact CZ-O 3.26Å; R221-F427 PolarHBondContact NH1-O 3.34Å; A285-F427 HydrophobicContact CB-CD2 3.38Å; A285-F427 HydrophobicContact CB-CE2 3.38Å; H420-F427 HydrophobicContact CB-CD1 3.87Å; H420-F427 HydrophobicContact CB-CD2 4.16Å; H420-F427 HydrophobicContact CB-CE1 3.84Å; H420-F427 HydrophobicContact CB-CE2 4.24Å; H420-F427 HydrophobicContact CB-CG 4.03Å; H420-F427 HydrophobicContact CB-CZ 4.06Å; H420-F427 AromaticContact CD2-CD1 3.54Å; H420-F427 AromaticContact CD2-CE1 3.31Å; H420-F427 WeakPolarHBondContact CD2-CE1 3.3Å; H420-F427 AromaticContact CG-CE1 3.86Å; D423-F427 HydrophobicContact CB-CB 4.34Å; G424-F427 VanDerWaalsContact O-CD1 3.22Å; G424-F427 WeakPolarHBondContact O-CD1 3.43Å; T425-F427 WeakPolarHBondContact O-CD1 3.22Å
428G96.3Very high94.7Very high0 Ų039.2 Ų39.20%020%0.204CC..  trans-72.7172.1172.100000111.7T209 L210 N214 Y418T209-G428 PolarHBondContact O-N 2.86Å; L210-G428 VanDerWaalsContact CD2-N 3.29Å; N214-G428 WeakPolarHBondContact OD1-CA 3.23Å; Y418-G428 WeakPolarHBondContact CB-O 3.2Å; Y418-G428 VanDerWaalsContact CD1-CA 3.47Å
429T97.2Very high94.5Very high10 Ų1041.2 Ų41.26%0.06121%0.214CC..  trans-132.3123.6-176.5-60.30000110.4N214 L215 F216 P283N214-T429 PolarHBondContact OD1-N 3.03Å; L215-T429 WeakPolarHBondContact CB-O 3.46Å; L215-T429 PolarHBondContact N-O 2.87Å; F216-T429 HydrophobicContact CB-CG2 4.04Å; P283-T429 HydrophobicContact CB-CG2 3.47Å; P283-T429 VanDerWaalsContact CB-CG2 3.47Å
430Q98.1Very high94.4Very high3 Ų343.4 Ų43.41%0.01423%0.225CC..EExtended strand (participates in β ladder)trans-88.8167.7166.662.7-90.84.800110.4T198 P283 G284 F417 Y418T198-Q430 WeakPolarHBondContact O-CB 3.27Å; T198-Q430 WeakPolarHBondContact OG1-CB 3.32Å; P283-Q430 CarbonylContact C-O 3.44Å; P283-Q430 WeakPolarHBondContact CA-O 3.35Å; G284-Q430 PolarHBondContact N-O 3.18Å; G284-Q430 WeakPolarHBondContact O-CG 3.39Å; G284-Q430 PolarHBondContact O-N 2.86Å; G284-Q430 VanDerWaalsContact O-N 3.1Å; G284-Q430 PolarHBondContact O-NE2 3.41Å; G284-Q430 VanDerWaalsContact O-O 3.07Å; G284-Q430 PolarHBondContact O-OE1 3.13Å; F417-Q430 HydrophobicContact CD1-CG 4.49Å; Y418-Q430 VanDerWaalsContact CB-OE1 3.24Å; Y418-Q430 PolarHBondContact O-NE2 2.64Å; Y418-Q430 VanDerWaalsContact O-NE2 3.08Å; Y418-Q430 PolarHBondContact O-OE1 2.74Å
431I98.6Very high94.3Very high2 Ų240.8 Ų40.81%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-133.4152.4176.871.8178.5000111.5F197 T198 L215 L235 F246 A281 A282 P283 F433F197-I431 WeakPolarHBondContact CA-O 3.43Å; T198-I431 HydrophobicContact CG2-CG1 3.99Å; T198-I431 PolarHBondContact N-O 3.36Å; T198-I431 PolarHBondContact OG1-N 2.85Å; T198-I431 PolarHBondContact OG1-O 3.34Å; L215-I431 HydrophobicContact CB-CG2 4Å; L215-I431 HydrophobicContact CD1-CB 4.32Å; L215-I431 HydrophobicContact CD1-CD1 3.86Å; L215-I431 HydrophobicContact CD1-CG1 3.64Å; L215-I431 HydrophobicContact CD1-CG2 4Å; L235-I431 HydrophobicContact CD2-CD1 3.69Å; L235-I431 HydrophobicContact CD2-CG1 4.22Å; F246-I431 HydrophobicContact CE2-CD1 3.73Å; F246-I431 HydrophobicContact CZ-CD1 3.67Å; A281-I431 HydrophobicContact CB-CB 4.46Å; A281-I431 HydrophobicContact CB-CD1 3.99Å; A282-I431 CarbonylContact O-C 3.44Å; A282-I431 WeakPolarHBondContact O-CA 3.28Å; P283-I431 HydrophobicContact CB-CG2 4.28Å; I431-F433 HydrophobicContact CD1-CB 4.31Å; I431-F433 HydrophobicContact CD1-CD1 4.44Å; I431-F433 HydrophobicContact CG1-CD1 4.35Å
432G98.8Very high94.3Very high0 Ų037.4 Ų37.40%020%0.202CC..EExtended strand (participates in β ladder)trans-96.8134.4152.500000109G196 F197 A281 A282G196-G432 CarbonylContact O-C 3.47Å; G196-G432 WeakPolarHBondContact O-CA 3.44Å; F197-G432 VanDerWaalsContact CD1-CA 3.43Å; A281-G432 CarbonylContact C-O 3.37Å; A281-G432 WeakPolarHBondContact CA-O 3.38Å; A281-G432 WeakPolarHBondContact CB-O 3.33Å; A282-G432 PolarHBondContact N-O 3.33Å; A282-G432 PolarHBondContact O-N 2.95Å
433F98.9Very high94.3Very high1 Ų135.1 Ų35.10%0.00420%0.197CC..EExtended strand (participates in β ladder)trans-130.8153178.468-88.1000111.4I182 H195 G196 T198 L235 A239 F241 T279 I280 A281 L291 I431I182-F433 HydrophobicContact CD1-CZ 4.21Å; I182-F433 HydrophobicContact CG2-CE1 4.03Å; I182-F433 HydrophobicContact CG2-CZ 3.97Å; H195-F433 CarbonylContact C-O 3.58Å; H195-F433 WeakPolarHBondContact CA-O 3.3Å; H195-F433 WeakPolarHBondContact CB-O 3.32Å; G196-F433 PolarHBondContact N-O 3.26Å; G196-F433 VanDerWaalsContact O-CD1 3.31Å; G196-F433 WeakPolarHBondContact O-CD1 3.35Å; G196-F433 PolarHBondContact O-N 2.92Å; T198-F433 HydrophobicContact CG2-CD1 4.34Å; T198-F433 HydrophobicContact CG2-CE1 4.17Å; L235-F433 HydrophobicContact CD1-CE1 3.99Å; L235-F433 HydrophobicContact CD2-CD1 4.49Å; A239-F433 HydrophobicContact CB-CE2 3.78Å; A239-F433 HydrophobicContact CB-CZ 3.57Å; F241-F433 HydrophobicContact CD1-CD2 4.06Å; F241-F433 AromaticContact CD1-CE2 3.97Å; F241-F433 HydrophobicContact CD1-CE2 3.97Å; F241-F433 AromaticContact CE1-CD2 3.93Å; F241-F433 HydrophobicContact CE1-CD2 3.93Å; F241-F433 AromaticContact CE1-CE2 3.95Å; F241-F433 HydrophobicContact CE1-CE2 3.95Å; F241-F433 HydrophobicContact CE1-CG 4.3Å; F241-F433 HydrophobicContact CE1-CZ 4.32Å; T279-F433 HydrophobicContact CG2-CB 4.07Å; T279-F433 HydrophobicContact CG2-CD2 4.16Å; I280-F433 CarbonylContact O-C 3.49Å; I280-F433 VanDerWaalsContact O-CA 3.3Å; I280-F433 WeakPolarHBondContact O-CA 3.23Å; A281-F433 HydrophobicContact CB-CB 3.97Å; L291-F433 VanDerWaalsContact CD1-O 3.29Å; L291-F433 WeakPolarHBondContact CD1-O 3.34Å; I431-F433 HydrophobicContact CD1-CB 4.31Å; I431-F433 HydrophobicContact CD1-CD1 4.44Å; I431-F433 HydrophobicContact CG1-CD1 4.35Å
434I98.9Very high94.4Very high0 Ų034.1 Ų34.10%019%0.192CC..EExtended strand (participates in β ladder)trans-148.3145.6173.5-171.5160.9000110.9I188 F193 L194 H195 I280 L291 A293 C300 G301I188-I434 HydrophobicContact CD1-CD1 4.18Å; I188-I434 HydrophobicContact CG2-CD1 4.43Å; F193-I434 HydrophobicContact CB-CD1 4.44Å; F193-I434 HydrophobicContact CB-CG1 4.41Å; F193-I434 HydrophobicContact CD1-CD1 4.15Å; F193-I434 HydrophobicContact CD1-CG1 4.23Å; F193-I434 HydrophobicContact CG-CD1 4.37Å; L194-I434 CarbonylContact O-C 3.51Å; L194-I434 VanDerWaalsContact O-CA 3.27Å; L194-I434 WeakPolarHBondContact O-CA 3.38Å; H195-I434 HydrophobicContact CB-CB 4.16Å; H195-I434 HydrophobicContact CB-CD1 4.3Å; H195-I434 HydrophobicContact CB-CG1 4.05Å; I280-I434 HydrophobicContact CD1-CG2 4.1Å; I280-I434 HydrophobicContact CG1-CG2 3.72Å; I280-I434 WeakPolarHBondContact CG1-O 3.36Å; I280-I434 PolarHBondContact N-O 3.25Å; I280-I434 PolarHBondContact O-N 2.72Å; L291-I434 HydrophobicContact CD1-CB 4.48Å; L291-I434 HydrophobicContact CD2-CB 4.28Å; L291-I434 HydrophobicContact CD2-CG2 4.08Å; A293-I434 HydrophobicContact CB-CD1 3.94Å; C300-I434 HydrophobicContact CB-CD1 3.8Å; C300-I434 HydrophobicContact CB-CG1 3.88Å; C300-I434 HydrophobicContact CB-CG2 3.92Å; G301-I434 WeakPolarHBondContact O-CG2 3.27Å
435S98.4Very high94.7Very high3 Ų334.2 Ų34.22%0.02118%0.182CC..EExtended strand (participates in β ladder)trans-145.6157.7171.364.90000110.4F193 L194 V278 T279F193-S435 CarbonylContact C-O 3.46Å; F193-S435 VanDerWaalsContact CA-O 3.27Å; F193-S435 WeakPolarHBondContact CA-O 3.38Å; L194-S435 WeakPolarHBondContact CB-OG 3.49Å; L194-S435 PolarHBondContact N-O 2.76Å; L194-S435 PolarHBondContact O-N 2.96Å; V278-S435 WeakPolarHBondContact O-CB 3.16Å; T279-S435 WeakPolarHBondContact OG1-CB 3.34Å
436I98.4Very high95.3Very high3 Ų327.8 Ų27.82%0.01514%0.141CC..EExtended strand (participates in β ladder)trans-90.4129.1170.8-56.6147.7000107.4F193 K276 G277 K298F193-I436 HydrophobicContact CD1-CG1 3.99Å; F193-I436 HydrophobicContact CE1-CG1 3.71Å; K276-I436 HydrophobicContact CG-CB 4.47Å; K276-I436 HydrophobicContact CG-CG2 3.95Å; G277-I436 PolarHBondContact N-O 2.85Å; G277-I436 VanDerWaalsContact N-O 3.09Å; K298-I436 HydrophobicContact CB-CG2 4.49Å; K298-I436 WeakPolarHBondContact O-CD1 3.41Å
437K94.3Very high95.9Very high77 Ų7724.9 Ų24.934%0.33513%0.125SC..  trans-63.8150.7176.8-71.4-178.1169.9-171.40111.7D190 I192 F193 L194D190-K437 WeakPolarHBondContact O-CE 3.5Å; D190-K437 PolarHBondContact O-NZ 3.02Å; I192-K437 WeakPolarHBondContact O-CB 3.33Å; I192-K437 PolarHBondContact O-N 3.12Å; F193-K437 WeakPolarHBondContact O-CE 3.33Å; L194-K437 HydrophobicContact CD1-CG 4.18Å; L194-K437 HydrophobicContact CD2-CD 4.45Å; L194-K437 HydrophobicContact CD2-CG 4.44Å; L194-K437 HydrophobicContact CG-CD 4.27Å; L194-K437 VanDerWaalsContact CG-CE 3.45Å; L194-K437 HydrophobicContact CG-CG 3.76Å
438D79.3Confident96.1Very high166 Ų16624.1 Ų24.189%0.88812%0.123SC*.  trans-640176.6-75.4-29.6000113.6K276 G277K276-D438 PolarHBondContact NZ-OXT 3.27Å; G277-D438 PolarHBondContact N-OD1 2.86Å

Retrieved 438 of 438 residues in 131 ms (Link to these results)

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