A0A077Z9B1_TRITR Loading...

ADP-ribosylation factor-like protein 1

AlphaFold DB , UniProt , Accession A0A077Z9B1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 171 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
1M44.2Very low49.9Very low247 Ų247131.8 Ų131.8100%1.21770%0.704SS**  067.10-71.9-152.7-76.400111
2G46.2Very low50.2Low69 Ų69134.8 Ų134.871%0.71171%0.707SS**  trans-130.4-4.6-174.700000116
3G48.7Very low50.8Low52 Ų52128.5 Ų128.554%0.53669%0.694SS.*SBendtrans-91.9-21.4-171.800000115.8
4I52.2Low51.6Low131 Ų131125.6 Ų125.667%0.67268%0.683SS**Hα-helixtrans-85.2-28.5-171.2-61.4176.7000111.8S6 F8I4-S6 PolarHBondContact O-N 3.17Å; I4-F8 HydrophobicContact CG2-CD2 4.33Å; I4-F8 HydrophobicContact CG2-CE2 4.06Å
5I53.7Low53.1Low135 Ų135126.6 Ų126.669%0.69268%0.678SS**Hα-helixtrans-72.1-29.1-176.1-65.9171.7000112.3
6S51.5Low55.4Low81 Ų81123 Ų12357%0.56666%0.656SS**Hα-helixtrans-76-28.7179.779.80000113.2I4 F8 R9I4-S6 PolarHBondContact O-N 3.17Å; S6-F8 VanDerWaalsContact C-N 3.35Å; S6-F8 PolarHBondContact O-N 3.47Å; S6-R9 PolarHBondContact O-N 3.41Å
7Y50.4Low57.7Low173 Ų173118.8 Ų118.868%0.67863%0.633SS**Hα-helixtrans-65.3-38.5179.2-98.4-87.9000112.1R9 S10Y7-R9 VanDerWaalsContact C-N 3.3Å; Y7-R9 PolarHBondContact O-N 3.34Å; Y7-S10 PolarHBondContact O-N 2.83Å; Y7-S10 PolarHBondContact O-OG 3.45Å
8F49.7Very low59.9Low127 Ų127114.3 Ų114.356%0.55761%0.606SS**Hα-helixtrans-69.7-22.7-179.5-81-79.6000114.1I4 S6 S10 L11 F12I4-F8 HydrophobicContact CG2-CD2 4.33Å; I4-F8 HydrophobicContact CG2-CE2 4.06Å; S6-F8 VanDerWaalsContact C-N 3.35Å; S6-F8 PolarHBondContact O-N 3.47Å; F8-S10 VanDerWaalsContact C-N 3.26Å; F8-S10 PolarHBondContact O-N 3.41Å; F8-L11 HydrophobicContact CD1-CD1 4.47Å; F8-L11 PolarHBondContact O-N 3.47Å; F8-F12 VanDerWaalsContact O-CD2 3.32Å; F8-F12 WeakPolarHBondContact O-CD2 3.32Å
9R49.2Very low61.9Low214 Ų214108.8 Ų108.881%0.80858%0.577SS**Hα-helixtrans-70-23.1173.3-80.5-169.5176.3-169.5-0.8113.3S6 Y7S6-R9 PolarHBondContact O-N 3.41Å; Y7-R9 VanDerWaalsContact C-N 3.3Å; Y7-R9 PolarHBondContact O-N 3.34Å
10S50.9Low63.7Low84 Ų84103.4 Ų103.459%0.58755%0.548SS*.Hα-helixtrans-81.8-22.4178.273.90000114Y7 F8 F12 G13Y7-S10 PolarHBondContact O-N 2.83Å; Y7-S10 PolarHBondContact O-OG 3.45Å; F8-S10 VanDerWaalsContact C-N 3.26Å; F8-S10 PolarHBondContact O-N 3.41Å; S10-F12 VanDerWaalsContact C-N 3.34Å; S10-G13 PolarHBondContact O-N 3.38Å
11L51.8Low65.4Low137 Ų13798.5 Ų98.572%0.71752%0.522SS*.Hα-helixtrans-78.7-19.7175.6-72.7174.7000112.8F8 G13F8-L11 HydrophobicContact CD1-CD1 4.47Å; F8-L11 PolarHBondContact O-N 3.47Å; L11-G13 PolarHBondContact O-N 2.75Å
12F54.3Low68Low168 Ų16886.8 Ų86.874%0.73746%0.464SS*.SBendtrans-90.754.9163.4-64.9-80.5000109.6F8 S10 T14F8-F12 VanDerWaalsContact O-CD2 3.32Å; F8-F12 WeakPolarHBondContact O-CD2 3.32Å; S10-F12 VanDerWaalsContact C-N 3.34Å; F12-T14 PolarHBondContact O-N 3.1Å; F12-T14 VanDerWaalsContact O-N 3.1Å
13G57.3Low70.5Confident53 Ų5383.5 Ų83.555%0.54643%0.43SS..  trans-45.1126.7166.400000107.4S10 L11 K15S10-G13 PolarHBondContact O-N 3.38Å; L11-G13 PolarHBondContact O-N 2.75Å; G13-K15 VanDerWaalsContact C-N 3.34Å; G13-K15 PolarHBondContact O-N 3.3Å
14T62.2Low72.9Confident87 Ų8781.4 Ų81.453%0.53441%0.407SS..  trans-50.5104.1179.141.40000106.8F12 E16F12-T14 PolarHBondContact O-N 3.1Å; F12-T14 VanDerWaalsContact O-N 3.1Å; T14-E16 PolarHBondContact O-N 3.09Å
15K74.2Confident75.1Confident141 Ų14177.3 Ų77.361%0.61339%0.387SS*.PPolyproline II helixtrans-54.4118.4-175.6-176-165.5171.9-153.90106.3G13 L17 D85G13-K15 VanDerWaalsContact C-N 3.34Å; G13-K15 PolarHBondContact O-N 3.3Å; K15-L17 PolarHBondContact O-N 2.96Å; K15-D85 IonicContact NZ-OD1 2.82Å; K15-D85 PolarHBondContact NZ-OD1 2.98Å; K15-D85 IonicContact NZ-OD2 3.14Å
16E89.8Confident77.1Confident69 Ų6973.3 Ų73.332%0.32238%0.379SS..PPolyproline II helixtrans-69.1123.8173.2-177171.2-114.800107.5T14 Q54 K61 Q63T14-E16 PolarHBondContact O-N 3.09Å; E16-Q54 PolarHBondContact OE1-NE2 2.87Å; E16-K61 WeakPolarHBondContact CA-O 3.31Å; E16-K61 HydrophobicContact CG-CB 4.46Å; E16-Q63 HydrophobicContact CG-CB 3.88Å; E16-Q63 PolarHBondContact OE2-NE2 2.91Å
17L94Very high79.4Confident51 Ų5169.6 Ų69.627%0.26735%0.352SS..EExtended strand (participates in β ladder)trans-87129.8178.8-70.1172.3000108.8K15 K61 F62 Q63 D85K15-L17 PolarHBondContact O-N 2.96Å; L17-K61 PolarHBondContact N-O 2.95Å; L17-F62 HydrophobicContact CB-CD1 3.72Å; L17-F62 HydrophobicContact CB-CE1 4.04Å; L17-F62 HydrophobicContact CD1-CD1 4.2Å; L17-F62 HydrophobicContact CD1-CE1 3.64Å; L17-F62 HydrophobicContact CG-CE1 4.46Å; L17-F62 CarbonylContact O-C 3.52Å; L17-F62 VanDerWaalsContact O-CA 3.29Å; L17-F62 WeakPolarHBondContact O-CA 3.5Å; L17-Q63 PolarHBondContact O-N 2.91Å; L17-D85 WeakPolarHBondContact CA-OD2 3.13Å; L17-D85 HydrophobicContact CD2-CB 4.06Å
18R97Very high81.7Confident38 Ų3862 Ų6214%0.14333%0.327CS..EExtended strand (participates in β ladder)trans-87.4119.6176.9-175.8-175.1175.2874.1109.8W65 Y80 S82 N83 D85 A86R18-W65 VanDerWaalsContact CZ-CE2 3.44Å; R18-Y80 PolarHBondContact NH2-O 3.44Å; R18-Y80 VanDerWaalsContact NH2-O 3.17Å; R18-S82 PolarHBondContact NE-O 3.47Å; R18-N83 VanDerWaalsContact CD-O 3.3Å; R18-N83 WeakPolarHBondContact CD-O 3.37Å; R18-D85 PolarHBondContact N-OD2 3.33Å; R18-D85 PolarHBondContact O-N 3.07Å; R18-A86 PolarHBondContact O-N 3.47Å
19I98.2Very high84Confident10 Ų1056.5 Ų56.55%0.05130%0.303CS..EExtended strand (participates in β ladder)trans-113.7132.5177.1-58.1-168.7000109.6F62 Q63 V64 W65 A86 I88I19-F62 HydrophobicContact CD1-CB 4.03Å; I19-F62 HydrophobicContact CD1-CD1 3.32Å; I19-F62 HydrophobicContact CD1-CE1 3.81Å; I19-F62 HydrophobicContact CD1-CG 3.73Å; I19-F62 HydrophobicContact CG1-CB 4.35Å; I19-F62 HydrophobicContact CG1-CD1 3.91Å; I19-F62 HydrophobicContact CG1-CG 4.43Å; I19-Q63 PolarHBondContact N-O 2.85Å; I19-V64 HydrophobicContact CB-CG2 4.33Å; I19-V64 HydrophobicContact CG2-CG1 4.49Å; I19-V64 WeakPolarHBondContact O-CA 3.43Å; I19-W65 PolarHBondContact O-N 3.06Å; I19-A86 VanDerWaalsContact CA-O 3.32Å; I19-A86 WeakPolarHBondContact CA-O 3.19Å; I19-A86 HydrophobicContact CG1-CB 4.23Å; I19-I88 HydrophobicContact CG2-CB 4.45Å; I19-I88 HydrophobicContact CG2-CD1 3.81Å; I19-I88 HydrophobicContact CG2-CG1 3.78Å
20L98.7Very high86.3Confident0 Ų047.1 Ų47.10%027%0.27CS..EExtended strand (participates in β ladder)trans-96.8128.5163.4-63.6-174000109.6L22 W65 L67 Y81 T84 A86 I87 I88 L115L20-L22 HydrophobicContact CB-CD1 3.84Å; L20-L22 HydrophobicContact CB-CG 4.38Å; L20-L22 HydrophobicContact CD1-CD1 4.04Å; L20-W65 HydrophobicContact CD2-CB 3.52Å; L20-W65 HydrophobicContact CD2-CG 4.01Å; L20-L67 HydrophobicContact CD2-CD1 4.46Å; L20-Y81 HydrophobicContact CD1-CD1 3.69Å; L20-Y81 HydrophobicContact CD1-CE1 4.36Å; L20-T84 HydrophobicContact CB-CG2 4.2Å; L20-T84 HydrophobicContact CD1-CG2 4.04Å; L20-T84 VanDerWaalsContact CD1-OG1 3.28Å; L20-T84 WeakPolarHBondContact CD1-OG1 3.18Å; L20-T84 HydrophobicContact CG-CG2 3.7Å; L20-T84 WeakPolarHBondContact CG-OG1 3.38Å; L20-A86 PolarHBondContact N-O 3.48Å; L20-I87 CarbonylContact O-C 3.59Å; L20-I87 WeakPolarHBondContact O-CA 3.41Å; L20-I88 PolarHBondContact O-N 3.45Å; L20-L115 HydrophobicContact CD1-CD2 4.38Å
21I98.7Very high88.5Confident2 Ų244 Ų441%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-105.2119.7168-169.8173.8000109.9K29 I32 V64 W65 D66 L67 I88 V90I21-K29 HydrophobicContact CD1-CB 3.97Å; I21-K29 HydrophobicContact CD1-CG 4.47Å; I21-K29 HydrophobicContact CG1-CB 4.01Å; I21-K29 HydrophobicContact CG1-CD 4.35Å; I21-K29 HydrophobicContact CG1-CG 4.14Å; I21-I32 HydrophobicContact CD1-CB 4.37Å; I21-I32 HydrophobicContact CD1-CG2 4.27Å; I21-V64 HydrophobicContact CB-CG1 4.25Å; I21-V64 HydrophobicContact CG2-CG1 3.8Å; I21-W65 PolarHBondContact N-O 3.25Å; I21-D66 HydrophobicContact CG2-CB 3.52Å; I21-L67 PolarHBondContact O-N 2.81Å; I21-I88 CarbonylContact C-O 3.47Å; I21-I88 VanDerWaalsContact CA-O 3.31Å; I21-I88 WeakPolarHBondContact CA-O 3.25Å; I21-I88 HydrophobicContact CB-CB 4.28Å; I21-I88 HydrophobicContact CD1-CG2 4.12Å; I21-I88 HydrophobicContact CG1-CB 4.05Å; I21-I88 HydrophobicContact CG1-CG2 3.94Å; I21-V90 HydrophobicContact CD1-CG2 3.87Å; I21-V90 HydrophobicContact CG1-CG2 3.76Å
22L98.7Very high90.8Very high0 Ų037.5 Ų37.50%021%0.213CC..EExtended strand (participates in β ladder)trans-135.7164.9-164.8-81.7162.8000111.2L20 K29 L67 W77 Y81 I87 I88 Y89 V90 M109L20-L22 HydrophobicContact CB-CD1 3.84Å; L20-L22 HydrophobicContact CB-CG 4.38Å; L20-L22 HydrophobicContact CD1-CD1 4.04Å; L22-K29 WeakPolarHBondContact O-CD 3.4Å; L22-L67 HydrophobicContact CD1-CD1 4.34Å; L22-L67 HydrophobicContact CD2-CB 3.86Å; L22-L67 HydrophobicContact CD2-CD1 3.6Å; L22-L67 HydrophobicContact CD2-CG 4.18Å; L22-L67 HydrophobicContact CG-CD1 4.07Å; L22-W77 HydrophobicContact CD2-CB 4.07Å; L22-W77 HydrophobicContact CD2-CD2 3.22Å; L22-W77 HydrophobicContact CD2-CE3 3.59Å; L22-W77 HydrophobicContact CD2-CG 3.47Å; L22-W77 VanDerWaalsContact CD2-CG 3.47Å; L22-W77 HydrophobicContact CD2-CH2 4.2Å; L22-W77 HydrophobicContact CD2-CZ2 3.9Å; L22-W77 HydrophobicContact CD2-CZ3 4.05Å; L22-Y81 HydrophobicContact CD1-CE1 4.16Å; L22-I87 HydrophobicContact CD1-CG2 4.43Å; L22-I88 PolarHBondContact N-O 3.05Å; L22-Y89 HydrophobicContact CB-CD2 3.95Å; L22-Y89 HydrophobicContact CB-CE2 4.36Å; L22-Y89 WeakPolarHBondContact O-CA 3.41Å; L22-V90 PolarHBondContact O-N 3.28Å; L22-M109 HydrophobicContact CB-SD 4.22Å; L22-M109 HydrophobicContact CD1-SD 3.32Å; L22-M109 WeakPolarHBondContact CD1-SD 3.36Å; L22-M109 HydrophobicContact CG-SD 4.29Å
23G98.8Very high92.8Very high0 Ų029.6 Ų29.60%018%0.178CC..  trans130.3169.8-174.500000112.7K29 G69 W77G23-K29 WeakPolarHBondContact O-CE 3.43Å; G23-K29 PolarHBondContact O-NZ 3.37Å; G23-G69 WeakPolarHBondContact O-CA 3.38Å; G23-W77 WeakPolarHBondContact O-CZ2 3.26Å
24L98.8Very high94.6Very high9 Ų929.9 Ų29.95%0.04716%0.163CC..  trans-61.6160.6-173.6-50.7-172.2000113A27 K29 R74 R98 I101 E105L24-A27 VanDerWaalsContact O-CB 3.28Å; L24-A27 WeakPolarHBondContact O-CB 3.36Å; L24-A27 PolarHBondContact O-N 2.71Å; L24-K29 PolarHBondContact O-NZ 3.1Å; L24-R74 VanDerWaalsContact CD2-CZ 3.41Å; L24-R98 HydrophobicContact CD1-CB 3.81Å; L24-I101 HydrophobicContact CD1-CB 4.24Å; L24-I101 HydrophobicContact CD1-CG2 4.31Å; L24-I101 HydrophobicContact CD2-CG2 4.09Å; L24-E105 HydrophobicContact CD2-CG 3.89Å
25D98.1Very high96.2Very high45 Ų4528.6 Ų28.624%0.24115%0.149CC..THydrogen-bonded Turntrans-58.3142.1167.855.6-77.1000111A27 G69 Q70 R74 R98D25-A27 PolarHBondContact O-N 3.07Å; D25-G69 VanDerWaalsContact N-C 3.33Å; D25-G69 PolarHBondContact N-O 3.24Å; D25-Q70 HydrophobicContact CB-CG 4.01Å; D25-R74 IonicContact OD1-NH2 2.76Å; D25-R74 PolarHBondContact OD1-NH2 3.27Å; D25-R98 PolarHBondContact O-NH2 2.94Å; D25-R98 IonicContact OD1-NH1 3.8Å; D25-R98 PolarHBondContact OD1-NH1 3.19Å; D25-R98 IonicContact OD2-CZ 4Å; D25-R98 IonicContact OD2-NH1 3.31Å; D25-R98 PolarHBondContact OD2-NH1 3.28Å; D25-R98 IonicContact OD2-NH2 3.86Å
26G97.6Very high97Very high51 Ų5123.5 Ų23.553%0.52613%0.128SC..THydrogen-bonded Turntrans79-9-176.800000115.2G28 K126G26-G28 PolarHBondContact O-N 3.02Å; G26-G28 VanDerWaalsContact O-N 3.14Å; G26-K126 WeakPolarHBondContact O-CE 3.3Å; G26-K126 PolarHBondContact O-NZ 3.18Å
27A98.6Very high97.1Very high2 Ų223.4 Ų23.42%0.01713%0.128CC..SBendtrans-65.5-17.4-178.300000115L24 D25 V90 D92 N125L24-A27 VanDerWaalsContact O-CB 3.28Å; L24-A27 WeakPolarHBondContact O-CB 3.36Å; L24-A27 PolarHBondContact O-N 2.71Å; D25-A27 PolarHBondContact O-N 3.07Å; A27-V90 HydrophobicContact CB-CB 4.36Å; A27-V90 HydrophobicContact CB-CG1 4.05Å; A27-V90 WeakPolarHBondContact O-CG1 3.34Å; A27-D92 HydrophobicContact CB-CB 4.34Å; A27-N125 PolarHBondContact O-ND2 3.09Å
28G98.4Very high96.9Very high14 Ų1425 Ų2514%0.14414%0.139CC..  trans101.215.9175.200000115.6G26 T30 T31 I32G26-G28 PolarHBondContact O-N 3.02Å; G26-G28 VanDerWaalsContact O-N 3.14Å; G28-T30 PolarHBondContact O-N 3.17Å; G28-T31 WeakPolarHBondContact O-CB 3.39Å; G28-T31 PolarHBondContact O-N 3.3Å; G28-I32 WeakPolarHBondContact O-CG1 3.45Å; G28-I32 PolarHBondContact O-N 3.27Å
29K98.5Very high96.6Very high11 Ų1125.4 Ų25.45%0.04816%0.155CC..Hα-helixtrans-51.7-56.8-179.4-58.3-173-58.6-72.60113.6I21 L22 G23 L24 T31 I32 L33 D66 L67 V90I21-K29 HydrophobicContact CD1-CB 3.97Å; I21-K29 HydrophobicContact CD1-CG 4.47Å; I21-K29 HydrophobicContact CG1-CB 4.01Å; I21-K29 HydrophobicContact CG1-CD 4.35Å; I21-K29 HydrophobicContact CG1-CG 4.14Å; L22-K29 WeakPolarHBondContact O-CD 3.4Å; G23-K29 WeakPolarHBondContact O-CE 3.43Å; G23-K29 PolarHBondContact O-NZ 3.37Å; L24-K29 PolarHBondContact O-NZ 3.1Å; K29-T31 VanDerWaalsContact C-N 3.27Å; K29-T31 PolarHBondContact O-N 2.91Å; K29-I32 WeakPolarHBondContact O-CB 3.29Å; K29-I32 PolarHBondContact O-N 2.81Å; K29-I32 VanDerWaalsContact O-N 3.12Å; K29-L33 PolarHBondContact O-N 3.24Å; K29-D66 VanDerWaalsContact CB-OD1 3.26Å; K29-D66 WeakPolarHBondContact CB-OD1 3.44Å; K29-L67 WeakPolarHBondContact CE-O 3.46Å; K29-V90 HydrophobicContact CG-CB 3.83Å; K29-V90 HydrophobicContact CG-CG1 4.48Å; K29-V90 HydrophobicContact CG-CG2 3.8Å
30T97.7Very high96Very high18 Ų1831.6 Ų31.611%0.1118%0.184CC..Hα-helixtrans-62.8-35.1179.8-42.20000112.2G28 L33 Y34 T44 T47 D66G28-T30 PolarHBondContact O-N 3.17Å; T30-L33 PolarHBondContact O-N 2.9Å; T30-Y34 HydrophobicContact CG2-CD2 3.95Å; T30-Y34 HydrophobicContact CG2-CE2 3.52Å; T30-Y34 WeakPolarHBondContact O-CD2 3.31Å; T30-Y34 PolarHBondContact O-N 2.7Å; T30-T44 HydrophobicContact CG2-CG2 3.63Å; T30-T47 PolarHBondContact OG1-OG1 2.99Å; T30-T47 VanDerWaalsContact OG1-OG1 3.13Å; T30-D66 WeakPolarHBondContact CA-OD2 3.32Å; T30-D66 VanDerWaalsContact CB-OD2 3.31Å; T30-D66 WeakPolarHBondContact CB-OD2 3.42Å; T30-D66 PolarHBondContact OG1-OD2 2.82Å
31T98.1Very high95.6Very high19 Ų1934.9 Ų34.912%0.11720%0.204CC..Hα-helixtrans-66.4-41.4175.1-52.90000111.3G28 K29 R35 V41 A159G28-T31 WeakPolarHBondContact O-CB 3.39Å; G28-T31 PolarHBondContact O-N 3.3Å; K29-T31 VanDerWaalsContact C-N 3.27Å; K29-T31 PolarHBondContact O-N 2.91Å; T31-R35 VanDerWaalsContact O-CB 3.24Å; T31-R35 WeakPolarHBondContact O-CB 3.24Å; T31-R35 PolarHBondContact O-N 3.07Å; T31-V41 HydrophobicContact CG2-CG1 4.09Å; T31-A159 HydrophobicContact CG2-CB 3.85Å
32I98.2Very high95.1Very high0 Ų037.8 Ų37.80%022%0.221CC..Hα-helixtrans-62-46.8173.9-68.8165.5000110.1I21 G28 K29 Y34 R35 L36 V90 L123 N125 A159 L165I21-I32 HydrophobicContact CD1-CB 4.37Å; I21-I32 HydrophobicContact CD1-CG2 4.27Å; G28-I32 WeakPolarHBondContact O-CG1 3.45Å; G28-I32 PolarHBondContact O-N 3.27Å; K29-I32 WeakPolarHBondContact O-CB 3.29Å; K29-I32 PolarHBondContact O-N 2.81Å; K29-I32 VanDerWaalsContact O-N 3.12Å; I32-Y34 PolarHBondContact O-N 3.29Å; I32-R35 WeakPolarHBondContact O-CB 3.37Å; I32-R35 PolarHBondContact O-N 3.05Å; I32-L36 HydrophobicContact CG2-CD1 3.93Å; I32-L36 HydrophobicContact CG2-CG 4.34Å; I32-L36 WeakPolarHBondContact O-CG 3.34Å; I32-L36 PolarHBondContact O-N 3.01Å; I32-V90 HydrophobicContact CD1-CB 4.46Å; I32-V90 HydrophobicContact CD1-CG1 3.64Å; I32-V90 HydrophobicContact CD1-CG2 3.89Å; I32-L123 HydrophobicContact CD1-CD1 3.87Å; I32-L123 HydrophobicContact CG2-CD1 4.19Å; I32-N125 HydrophobicContact CD1-CB 4.41Å; I32-A159 HydrophobicContact CD1-CB 4.38Å; I32-A159 HydrophobicContact CG1-CB 3.48Å; I32-A159 VanDerWaalsContact CG1-CB 3.48Å; I32-L165 HydrophobicContact CG1-CD2 4.22Å; I32-L165 HydrophobicContact CG2-CD2 3.88Å
33L96.9Very high94.6Very high1 Ų144.3 Ų44.31%0.00526%0.261CS..Hα-helixtrans-55.5-52.8179.1176.255000111.6K29 T30 R35 L36 Q37 E53 V55 V64 D66K29-L33 PolarHBondContact O-N 3.24Å; T30-L33 PolarHBondContact O-N 2.9Å; L33-R35 VanDerWaalsContact C-N 3.33Å; L33-R35 PolarHBondContact O-N 3.22Å; L33-L36 PolarHBondContact O-N 3.01Å; L33-Q37 WeakPolarHBondContact O-CB 3.28Å; L33-Q37 PolarHBondContact O-N 2.95Å; L33-E53 HydrophobicContact CD1-CB 4.06Å; L33-E53 HydrophobicContact CD2-CB 4.08Å; L33-E53 HydrophobicContact CD2-CG 3.77Å; L33-E53 HydrophobicContact CG-CB 4.35Å; L33-E53 HydrophobicContact CG-CG 4.26Å; L33-V55 HydrophobicContact CD1-CG2 3.59Å; L33-V64 HydrophobicContact CD1-CB 3.86Å; L33-V64 HydrophobicContact CD1-CG1 3.88Å; L33-V64 HydrophobicContact CD1-CG2 4.24Å; L33-D66 HydrophobicContact CD2-CB 3.78Å
34Y95.6Very high94.2Very high59 Ų5946.9 Ų46.923%0.23128%0.277CS..Hα-helixtrans-68.7-32.4178.8-66.1-41.3000112.8T30 I32 L36 Q37 V38 V42 T44 E53T30-Y34 HydrophobicContact CG2-CD2 3.95Å; T30-Y34 HydrophobicContact CG2-CE2 3.52Å; T30-Y34 WeakPolarHBondContact O-CD2 3.31Å; T30-Y34 PolarHBondContact O-N 2.7Å; I32-Y34 PolarHBondContact O-N 3.29Å; Y34-L36 VanDerWaalsContact C-N 3.3Å; Y34-L36 PolarHBondContact O-N 2.87Å; Y34-Q37 PolarHBondContact O-N 3.16Å; Y34-V38 WeakPolarHBondContact O-CG2 3.35Å; Y34-V38 PolarHBondContact O-N 2.72Å; Y34-V42 HydrophobicContact CD2-CB 4.01Å; Y34-V42 HydrophobicContact CD2-CG1 4.34Å; Y34-V42 HydrophobicContact CG-CB 4.37Å; Y34-V42 HydrophobicContact CG-CG2 4.43Å; Y34-T44 HydrophobicContact CD2-CG2 4.12Å; Y34-T44 HydrophobicContact CE2-CG2 4.3Å; Y34-E53 HydrophobicContact CE1-CG 4.47Å
35R94.8Very high93.8Very high61 Ų6153.3 Ų53.323%0.2331%0.31CS..Hα-helixtrans-60.4-42.1172.5-169.667.1170.1-172.7-2.6111.4T31 I32 L33 G39 K161 L165T31-R35 VanDerWaalsContact O-CB 3.24Å; T31-R35 WeakPolarHBondContact O-CB 3.24Å; T31-R35 PolarHBondContact O-N 3.07Å; I32-R35 WeakPolarHBondContact O-CB 3.37Å; I32-R35 PolarHBondContact O-N 3.05Å; L33-R35 VanDerWaalsContact C-N 3.33Å; L33-R35 PolarHBondContact O-N 3.22Å; R35-G39 PolarHBondContact NH1-O 3.2Å; R35-G39 WeakPolarHBondContact O-CA 3.13Å; R35-G39 PolarHBondContact O-N 3.31Å; R35-K161 PolarHBondContact NH2-O 3.19Å; R35-L165 HydrophobicContact CB-CD1 3.95Å; R35-L165 HydrophobicContact CG-CD1 3.56Å
36L93Very high93.4Very high33 Ų3355.7 Ų55.717%0.17333%0.328CS..Hα-helixtrans-70.2-34176.1-68.8174000112.8I32 L33 Y34 V55 L165 M169I32-L36 HydrophobicContact CG2-CD1 3.93Å; I32-L36 HydrophobicContact CG2-CG 4.34Å; I32-L36 WeakPolarHBondContact O-CG 3.34Å; I32-L36 PolarHBondContact O-N 3.01Å; L33-L36 PolarHBondContact O-N 3.01Å; Y34-L36 VanDerWaalsContact C-N 3.3Å; Y34-L36 PolarHBondContact O-N 2.87Å; L36-V55 HydrophobicContact CB-CG1 4.1Å; L36-L165 HydrophobicContact CD2-CB 4.08Å; L36-M169 HydrophobicContact CD1-CG 4.25Å; L36-M169 HydrophobicContact CD1-SD 3.78Å; L36-M169 HydrophobicContact CD2-CG 3.62Å; L36-M169 HydrophobicContact CD2-SD 4.28Å
37Q91.7Very high93.1Very high68 Ų6854.5 Ų54.532%0.31831%0.31SS..Hα-helixtrans-82-44-175.6-172.3177.2-6.200113.3L33 Y34 E53 V55L33-Q37 WeakPolarHBondContact O-CB 3.28Å; L33-Q37 PolarHBondContact O-N 2.95Å; Y34-Q37 PolarHBondContact O-N 3.16Å; Q37-E53 PolarHBondContact NE2-OE2 2.85Å; Q37-E53 PolarHBondContact OE1-OE2 2.86Å; Q37-V55 HydrophobicContact CB-CG2 4.36Å
38V89.8Confident92.6Very high84 Ų8461.5 Ų61.551%0.50935%0.346SS..Hα-helixtrans-117.6-6.6-173.3-58.40000114Y34 E40 V42Y34-V38 WeakPolarHBondContact O-CG2 3.35Å; Y34-V38 PolarHBondContact O-N 2.72Å; V38-E40 HydrophobicContact CG2-CB 4.42Å; V38-E40 PolarHBondContact O-N 3.23Å; V38-V42 HydrophobicContact CG2-CG2 4.12Å
39G88.9Confident92.3Very high46 Ų4662.3 Ų62.347%0.47435%0.354SS..SBendtrans78-4.6-179.700000114.9R35R35-G39 PolarHBondContact NH1-O 3.2Å; R35-G39 WeakPolarHBondContact O-CA 3.13Å; R35-G39 PolarHBondContact O-N 3.31Å
40E87.5Confident92.1Very high140 Ų14066 Ų6665%0.65437%0.37SS*.SBendtrans-121.7159.9-174.5-65.2-170.7171.800112.5V38 V42V38-E40 HydrophobicContact CG2-CB 4.42Å; V38-E40 PolarHBondContact O-N 3.23Å; E40-V42 PolarHBondContact O-N 3.26Å
41V88.6Confident91.9Very high70 Ų7067.1 Ų67.142%0.42438%0.376SS..  trans-84115.3175-176.80000108.7T31 V160T31-V41 HydrophobicContact CG2-CG1 4.09Å; V41-V160 HydrophobicContact CG2-CB 4.43Å; V41-V160 VanDerWaalsContact CG2-O 3.3Å; V41-V160 WeakPolarHBondContact CG2-O 3.41Å
42V88.9Confident91.8Very high62 Ų6268.7 Ų68.738%0.37639%0.385SS..  trans-97.7137.1172.3-177.30000109Y34 V38 E40 T44Y34-V42 HydrophobicContact CD2-CB 4.01Å; Y34-V42 HydrophobicContact CD2-CG1 4.34Å; Y34-V42 HydrophobicContact CG-CB 4.37Å; Y34-V42 HydrophobicContact CG-CG2 4.43Å; V38-V42 HydrophobicContact CG2-CG2 4.12Å; E40-V42 PolarHBondContact O-N 3.26Å; V42-T44 PolarHBondContact O-N 3.43Å
43T87.5Confident91.7Very high138 Ų13870.9 Ų70.985%0.84740%0.395SS*.  trans-63.1127171.8-55.30000109.7
44T90.3Very high91.7Very high54 Ų5475.7 Ų75.733%0.33142%0.418SS..  trans-112.1147.5-178.458.40000111T30 Y34 V42T30-T44 HydrophobicContact CG2-CG2 3.63Å; Y34-T44 HydrophobicContact CD2-CG2 4.12Å; Y34-T44 HydrophobicContact CE2-CG2 4.3Å; V42-T44 PolarHBondContact O-N 3.43Å
45I90.3Very high91.6Very high143 Ų14373 Ų7373%0.73341%0.407SS*.  trans-104.8157.9164.761.3172.2000108.4T47I45-T47 PolarHBondContact O-N 2.88Å; I45-T47 VanDerWaalsContact O-N 3.14Å
46P91.2Very high91.5Very high95 Ų9574.1 Ų74.162%0.61742%0.421SS*.PPolyproline II helixtrans-52.6122.5176.1-27.435.5000112I48P46-I48 PolarHBondContact O-N 3.18Å
47T91.1Very high91.3Very high26 Ų2674.1 Ų74.116%0.1642%0.419CS..PPolyproline II helixtrans-63.3126179.1-47.70000110.3T30 I45 Q70T30-T47 PolarHBondContact OG1-OG1 2.99Å; T30-T47 VanDerWaalsContact OG1-OG1 3.13Å; I45-T47 PolarHBondContact O-N 2.88Å; I45-T47 VanDerWaalsContact O-N 3.14Å; T47-Q70 PolarHBondContact O-NE2 3.4Å
48I87.7Confident91.2Very high150 Ų15077.6 Ų77.677%0.76943%0.433SS*.SBendtrans-93.7116.9172.3-58.6176.4000107.2P46 F50P46-I48 PolarHBondContact O-N 3.18Å; I48-F50 PolarHBondContact O-N 3.33Å
49G91.9Very high90.9Very high30 Ų3079.7 Ų79.731%0.30944%0.441SS..SBendtrans72.7-105.9-176.400000111.8G68G49-G68 PolarHBondContact O-N 3.02Å
50F94.4Very high90.9Very high89 Ų8980.8 Ų80.839%0.3944%0.436SS..EExtended strand (participates in β ladder)trans-148158.9-177.469.8-83.6000113.2I48 V52 W65 D66 L67 Y80I48-F50 PolarHBondContact O-N 3.33Å; F50-V52 HydrophobicContact CD2-CG2 3.59Å; F50-V52 HydrophobicContact CE2-CG2 3.59Å; F50-W65 AromaticContact CD2-CE3 3.79Å; F50-W65 HydrophobicContact CD2-CE3 3.79Å; F50-W65 AromaticContact CD2-CZ3 3.8Å; F50-W65 HydrophobicContact CD2-CZ3 3.8Å; F50-W65 AromaticContact CE2-CE3 3.99Å; F50-W65 HydrophobicContact CE2-CE3 3.99Å; F50-W65 HydrophobicContact CE2-CH2 4.31Å; F50-W65 AromaticContact CE2-CZ3 3.5Å; F50-W65 HydrophobicContact CE2-CZ3 3.5Å; F50-W65 VanDerWaalsContact CE2-CZ3 3.5Å; F50-W65 HydrophobicContact CZ-CZ3 4.13Å; F50-D66 CarbonylContact C-O 3.52Å; F50-D66 WeakPolarHBondContact CA-O 3.25Å; F50-L67 HydrophobicContact CB-CD2 3.42Å; F50-L67 VanDerWaalsContact CB-CD2 3.42Å; F50-L67 HydrophobicContact CG-CD2 4.41Å; F50-Y80 AromaticContact CD1-CE1 3.66Å; F50-Y80 HydrophobicContact CD1-CE1 3.66Å; F50-Y80 AromaticContact CD1-CZ 3.54Å; F50-Y80 WeakPolarHBondContact CD1-OH 3.37Å; F50-Y80 AromaticContact CE1-CE1 3.72Å; F50-Y80 HydrophobicContact CE1-CE1 3.72Å; F50-Y80 AromaticContact CE1-CZ 3.88Å; F50-Y80 WeakPolarHBondContact CE1-OH 3.46Å; F50-Y80 HydrophobicContact CG-CE1 4.1Å; F50-Y80 HydrophobicContact CZ-CE1 4.22Å
51N94.3Very high91.1Very high42 Ų4278.1 Ų78.123%0.22542%0.423CS..EExtended strand (participates in β ladder)trans-121.6148166.4-170.441.8000110.1E53 W65 D66N51-E53 VanDerWaalsContact ND2-CG 3.25Å; N51-E53 WeakPolarHBondContact ND2-CG 3.38Å; N51-E53 PolarHBondContact ND2-OE1 3Å; N51-W65 CarbonylContact O-C 3.59Å; N51-W65 WeakPolarHBondContact O-CA 3.19Å; N51-D66 HydrophobicContact CB-CB 4.37Å; N51-D66 PolarHBondContact N-O 2.84Å; N51-D66 PolarHBondContact O-N 2.83Å
52V96Very high91.4Very high51 Ų5175.4 Ų75.431%0.30941%0.405SS..EExtended strand (participates in β ladder)trans-126.8122.6175.6-172.80000109.3F50 Q63 V64 W65F50-V52 HydrophobicContact CD2-CG2 3.59Å; F50-V52 HydrophobicContact CE2-CG2 3.59Å; V52-Q63 HydrophobicContact CG1-CG 3.81Å; V52-V64 WeakPolarHBondContact CA-O 3.33Å; V52-W65 HydrophobicContact CG1-CD2 4.35Å; V52-W65 HydrophobicContact CG1-CZ2 4.3Å; V52-W65 HydrophobicContact CG2-CD2 3.57Å; V52-W65 HydrophobicContact CG2-CE3 3.54Å; V52-W65 HydrophobicContact CG2-CG 4.2Å; V52-W65 HydrophobicContact CG2-CH2 3.93Å; V52-W65 HydrophobicContact CG2-CZ2 3.94Å; V52-W65 HydrophobicContact CG2-CZ3 3.73Å
53E95.9Very high91.8Very high47 Ų4775.1 Ų75.122%0.2240%0.4CS..EExtended strand (participates in β ladder)trans-129149.9179.4-64.7-65.6160.700110.6L33 Y34 Q37 N51 V64L33-E53 HydrophobicContact CD1-CB 4.06Å; L33-E53 HydrophobicContact CD2-CB 4.08Å; L33-E53 HydrophobicContact CD2-CG 3.77Å; L33-E53 HydrophobicContact CG-CB 4.35Å; L33-E53 HydrophobicContact CG-CG 4.26Å; Y34-E53 HydrophobicContact CE1-CG 4.47Å; Q37-E53 PolarHBondContact NE2-OE2 2.85Å; Q37-E53 PolarHBondContact OE1-OE2 2.86Å; N51-E53 VanDerWaalsContact ND2-CG 3.25Å; N51-E53 WeakPolarHBondContact ND2-CG 3.38Å; N51-E53 PolarHBondContact ND2-OE1 3Å; E53-V64 PolarHBondContact N-O 3.37Å; E53-V64 PolarHBondContact O-N 2.82Å
54Q95.2Very high92.3Very high102 Ų10269 Ų6948%0.47736%0.362SS..EExtended strand (participates in β ladder)trans-94.4120.9168.6-172.117463.900109.2E16 F62E16-Q54 PolarHBondContact OE1-NE2 2.87Å; Q54-F62 CarbonylContact C-O 3.59Å; Q54-F62 WeakPolarHBondContact CA-O 3.41Å
55V94.4Very high92.7Very high1 Ų168.4 Ų68.41%0.00635%0.353CS..EExtended strand (participates in β ladder)trans-110123.3175.2179.90000108.3L33 L36 Q37 F62 V64L33-V55 HydrophobicContact CD1-CG2 3.59Å; L36-V55 HydrophobicContact CB-CG1 4.1Å; Q37-V55 HydrophobicContact CB-CG2 4.36Å; V55-F62 HydrophobicContact CB-CB 4.37Å; V55-F62 PolarHBondContact N-O 3.26Å; V55-F62 PolarHBondContact O-N 2.83Å; V55-V64 HydrophobicContact CB-CG2 4.18Å; V55-V64 HydrophobicContact CG2-CG2 3.79Å
56T91.8Very high93Very high86 Ų8661.6 Ų61.653%0.52832%0.318SS..EExtended strand (participates in β ladder)trans-101.2120.9170.7-59.80000108.4L60T56-L60 WeakPolarHBondContact CA-O 3.29Å
57Y90.2Very high93.4Very high33 Ų3357.1 Ų57.113%0.12929%0.289CS..EExtended strand (participates in β ladder)trans-128.6118.5176.2-176.4-97.4000108.6N59 L60 D166 M169 D170Y57-N59 PolarHBondContact O-N 2.82Å; Y57-N59 VanDerWaalsContact O-N 3.16Å; Y57-L60 PolarHBondContact N-O 3Å; Y57-L60 PolarHBondContact O-N 2.95Å; Y57-D166 PolarHBondContact OH-O 3.22Å; Y57-M169 HydrophobicContact CD1-CB 3.88Å; Y57-M169 HydrophobicContact CD2-CB 4.24Å; Y57-M169 HydrophobicContact CE1-CB 3.64Å; Y57-M169 HydrophobicContact CE2-CB 4.04Å; Y57-M169 HydrophobicContact CG-CB 4.17Å; Y57-D170 WeakPolarHBondContact CE1-OD1 2.96Å; Y57-D170 VanDerWaalsContact CZ-OD1 3.25Å; Y57-D170 PolarHBondContact OH-OD1 3.41Å
58K88.8Confident93.7Very high141 Ų14155.9 Ų55.961%0.61328%0.282SS*.THydrogen-bonded Turntrans51.7-118.3-169.8-59.9176.4177.5173.90110.5D170K58-D170 VanDerWaalsContact CE-OD1 3.27Å; K58-D170 WeakPolarHBondContact CE-OD1 3.32Å; K58-D170 IonicContact NZ-OD1 2.64Å; K58-D170 PolarHBondContact NZ-OD1 3.16Å; K58-D170 IonicContact NZ-OD2 3.7Å; K58-D170 PolarHBondContact NZ-OD2 2.73Å
59N84.9Confident94.1Very high127 Ų12749 Ų4968%0.67925%0.248SC*.THydrogen-bonded Turntrans-100.16.8178.865.7-50.5000113.8Y57Y57-N59 PolarHBondContact O-N 2.82Å; Y57-N59 VanDerWaalsContact O-N 3.16Å
60L87.3Confident94.4Very high70 Ų7050.7 Ų50.737%0.36625%0.248SC..EExtended strand (participates in β ladder)trans-101144179.2-61.6177.9000110.8T56 Y57 F62T56-L60 WeakPolarHBondContact CA-O 3.29Å; Y57-L60 PolarHBondContact N-O 3Å; Y57-L60 PolarHBondContact O-N 2.95Å; L60-F62 HydrophobicContact CB-CE1 4.27Å; L60-F62 HydrophobicContact CB-CE2 3.97Å; L60-F62 HydrophobicContact CB-CZ 3.72Å; L60-F62 HydrophobicContact CD1-CE1 4.31Å; L60-F62 HydrophobicContact CD1-CZ 3.72Å; L60-F62 HydrophobicContact CG-CZ 4.38Å
61K92.7Very high94.5Very high84 Ų8451.5 Ų51.537%0.36526%0.26SS..EExtended strand (participates in β ladder)trans-115.3126171.8-66.5-173.8178.2-171.80108.7E16 L17E16-K61 WeakPolarHBondContact CA-O 3.31Å; E16-K61 HydrophobicContact CG-CB 4.46Å; L17-K61 PolarHBondContact N-O 2.95Å
62F95.2Very high94.6Very high13 Ų1353.6 Ų53.66%0.05728%0.278CS..EExtended strand (participates in β ladder)trans-113.3130.9178.6-56.4-68.5000109.6L17 I19 Q54 V55 L60 V64 M169L17-F62 HydrophobicContact CB-CD1 3.72Å; L17-F62 HydrophobicContact CB-CE1 4.04Å; L17-F62 HydrophobicContact CD1-CD1 4.2Å; L17-F62 HydrophobicContact CD1-CE1 3.64Å; L17-F62 HydrophobicContact CG-CE1 4.46Å; L17-F62 CarbonylContact O-C 3.52Å; L17-F62 VanDerWaalsContact O-CA 3.29Å; L17-F62 WeakPolarHBondContact O-CA 3.5Å; I19-F62 HydrophobicContact CD1-CB 4.03Å; I19-F62 HydrophobicContact CD1-CD1 3.32Å; I19-F62 HydrophobicContact CD1-CE1 3.81Å; I19-F62 HydrophobicContact CD1-CG 3.73Å; I19-F62 HydrophobicContact CG1-CB 4.35Å; I19-F62 HydrophobicContact CG1-CD1 3.91Å; I19-F62 HydrophobicContact CG1-CG 4.43Å; Q54-F62 CarbonylContact C-O 3.59Å; Q54-F62 WeakPolarHBondContact CA-O 3.41Å; V55-F62 HydrophobicContact CB-CB 4.37Å; V55-F62 PolarHBondContact N-O 3.26Å; V55-F62 PolarHBondContact O-N 2.83Å; L60-F62 HydrophobicContact CB-CE1 4.27Å; L60-F62 HydrophobicContact CB-CE2 3.97Å; L60-F62 HydrophobicContact CB-CZ 3.72Å; L60-F62 HydrophobicContact CD1-CE1 4.31Å; L60-F62 HydrophobicContact CD1-CZ 3.72Å; L60-F62 HydrophobicContact CG-CZ 4.38Å; F62-V64 HydrophobicContact CB-CG2 3.88Å; F62-M169 HydrophobicContact CD2-CE 3.62Å; F62-M169 HydrophobicContact CE2-CE 3.22Å; F62-M169 HydrophobicContact CG-CE 4.49Å; F62-M169 HydrophobicContact CZ-CE 3.87Å
63Q96.9Very high94.6Very high56 Ų5652.4 Ų52.426%0.26227%0.269SS..EExtended strand (participates in β ladder)trans-93.3102.1163-169.8-178.396.300107.6E16 L17 I19 V52E16-Q63 HydrophobicContact CG-CB 3.88Å; E16-Q63 PolarHBondContact OE2-NE2 2.91Å; L17-Q63 PolarHBondContact O-N 2.91Å; I19-Q63 PolarHBondContact N-O 2.85Å; V52-Q63 HydrophobicContact CG1-CG 3.81Å
64V97.9Very high94.7Very high8 Ų850.9 Ų50.95%0.04826%0.262CS..EExtended strand (participates in β ladder)trans-96.9123.5-174.9-171.80000109.6I19 I21 L33 V52 E53 V55 F62I19-V64 HydrophobicContact CB-CG2 4.33Å; I19-V64 HydrophobicContact CG2-CG1 4.49Å; I19-V64 WeakPolarHBondContact O-CA 3.43Å; I21-V64 HydrophobicContact CB-CG1 4.25Å; I21-V64 HydrophobicContact CG2-CG1 3.8Å; L33-V64 HydrophobicContact CD1-CB 3.86Å; L33-V64 HydrophobicContact CD1-CG1 3.88Å; L33-V64 HydrophobicContact CD1-CG2 4.24Å; V52-V64 WeakPolarHBondContact CA-O 3.33Å; E53-V64 PolarHBondContact N-O 3.37Å; E53-V64 PolarHBondContact O-N 2.82Å; V55-V64 HydrophobicContact CB-CG2 4.18Å; V55-V64 HydrophobicContact CG2-CG2 3.79Å; F62-V64 HydrophobicContact CB-CG2 3.88Å
65W98.2Very high94.7Very high42 Ų4249.7 Ų49.716%0.15926%0.263CS..EExtended strand (participates in β ladder)trans-103.3105.1175.5-67.966.2000109R18 I19 L20 I21 F50 N51 V52 L67 Y80R18-W65 VanDerWaalsContact CZ-CE2 3.44Å; I19-W65 PolarHBondContact O-N 3.06Å; L20-W65 HydrophobicContact CD2-CB 3.52Å; L20-W65 HydrophobicContact CD2-CG 4.01Å; I21-W65 PolarHBondContact N-O 3.25Å; F50-W65 AromaticContact CD2-CE3 3.79Å; F50-W65 HydrophobicContact CD2-CE3 3.79Å; F50-W65 AromaticContact CD2-CZ3 3.8Å; F50-W65 HydrophobicContact CD2-CZ3 3.8Å; F50-W65 AromaticContact CE2-CE3 3.99Å; F50-W65 HydrophobicContact CE2-CE3 3.99Å; F50-W65 HydrophobicContact CE2-CH2 4.31Å; F50-W65 AromaticContact CE2-CZ3 3.5Å; F50-W65 HydrophobicContact CE2-CZ3 3.5Å; F50-W65 VanDerWaalsContact CE2-CZ3 3.5Å; F50-W65 HydrophobicContact CZ-CZ3 4.13Å; N51-W65 CarbonylContact O-C 3.59Å; N51-W65 WeakPolarHBondContact O-CA 3.19Å; V52-W65 HydrophobicContact CG1-CD2 4.35Å; V52-W65 HydrophobicContact CG1-CZ2 4.3Å; V52-W65 HydrophobicContact CG2-CD2 3.57Å; V52-W65 HydrophobicContact CG2-CE3 3.54Å; V52-W65 HydrophobicContact CG2-CG 4.2Å; V52-W65 HydrophobicContact CG2-CH2 3.93Å; V52-W65 HydrophobicContact CG2-CZ2 3.94Å; V52-W65 HydrophobicContact CG2-CZ3 3.73Å; W65-L67 HydrophobicContact CB-CD2 4.46Å; W65-Y80 AromaticContact CE3-CD1 3.81Å; W65-Y80 HydrophobicContact CE3-CD1 3.81Å; W65-Y80 HydrophobicContact CE3-CE1 4.41Å; W65-Y80 AromaticContact CZ3-CD1 3.73Å; W65-Y80 HydrophobicContact CZ3-CD1 3.73Å; W65-Y80 HydrophobicContact CZ3-CE1 4.09Å
66D98Very high94.8Very high0 Ų056.4 Ų56.40%029%0.289CS..EExtended strand (participates in β ladder)trans-89111.5176.3177.135.4000111I21 K29 T30 L33 F50 N51I21-D66 HydrophobicContact CG2-CB 3.52Å; K29-D66 VanDerWaalsContact CB-OD1 3.26Å; K29-D66 WeakPolarHBondContact CB-OD1 3.44Å; T30-D66 WeakPolarHBondContact CA-OD2 3.32Å; T30-D66 VanDerWaalsContact CB-OD2 3.31Å; T30-D66 WeakPolarHBondContact CB-OD2 3.42Å; T30-D66 PolarHBondContact OG1-OD2 2.82Å; L33-D66 HydrophobicContact CD2-CB 3.78Å; F50-D66 CarbonylContact C-O 3.52Å; F50-D66 WeakPolarHBondContact CA-O 3.25Å; N51-D66 HydrophobicContact CB-CB 4.37Å; N51-D66 PolarHBondContact N-O 2.84Å; N51-D66 PolarHBondContact O-N 2.83Å
67L98Very high95.1Very high1 Ų152.5 Ų52.51%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-100.2135.7-173.2-55.7-176000110.7L20 I21 L22 K29 F50 W65 G69 W77 Y80L20-L67 HydrophobicContact CD2-CD1 4.46Å; I21-L67 PolarHBondContact O-N 2.81Å; L22-L67 HydrophobicContact CD1-CD1 4.34Å; L22-L67 HydrophobicContact CD2-CB 3.86Å; L22-L67 HydrophobicContact CD2-CD1 3.6Å; L22-L67 HydrophobicContact CD2-CG 4.18Å; L22-L67 HydrophobicContact CG-CD1 4.07Å; K29-L67 WeakPolarHBondContact CE-O 3.46Å; F50-L67 HydrophobicContact CB-CD2 3.42Å; F50-L67 VanDerWaalsContact CB-CD2 3.42Å; F50-L67 HydrophobicContact CG-CD2 4.41Å; W65-L67 HydrophobicContact CB-CD2 4.46Å; L67-G69 PolarHBondContact O-N 2.82Å; L67-W77 HydrophobicContact CD1-CB 4.44Å; L67-W77 HydrophobicContact CD1-CG 4.46Å; L67-Y80 HydrophobicContact CD1-CD2 4.02Å; L67-Y80 HydrophobicContact CD1-CG 4.3Å; L67-Y80 HydrophobicContact CD2-CD2 3.84Å; L67-Y80 HydrophobicContact CD2-CE2 4.28Å; L67-Y80 HydrophobicContact CD2-CG 3.99Å
68G97.2Very high95.5Very high1 Ų158.4 Ų58.41%0.0129%0.287CS..  trans-57.4132.8176.600000111.6G49 I73 W77G49-G68 PolarHBondContact O-N 3.02Å; G68-I73 WeakPolarHBondContact O-CG2 3.36Å; G68-W77 PolarHBondContact O-NE1 3.16Å
69G97.7Very high95.9Very high4 Ų455.7 Ų55.74%0.04129%0.285CS..  trans-98.75.3-174.500000115.4G23 D25 L67 R74G23-G69 WeakPolarHBondContact O-CA 3.38Å; D25-G69 VanDerWaalsContact N-C 3.33Å; D25-G69 PolarHBondContact N-O 3.24Å; L67-G69 PolarHBondContact O-N 2.82Å; G69-R74 PolarHBondContact O-NE 2.74Å; G69-R74 PolarHBondContact O-NH2 3.33Å; G69-R74 VanDerWaalsContact O-NH2 3.16Å
70Q97.1Very high96.5Very high67 Ų6752.3 Ų52.331%0.31326%0.263SS..SBendtrans-70.1146.9-177.8-58.6178.957.600110.1D25 T47 S72 I73 R74D25-Q70 HydrophobicContact CB-CG 4.01Å; T47-Q70 PolarHBondContact O-NE2 3.4Å; Q70-S72 PolarHBondContact O-N 2.95Å; Q70-I73 HydrophobicContact CB-CD1 4.07Å; Q70-I73 HydrophobicContact CB-CG1 4.29Å; Q70-I73 HydrophobicContact CG-CD1 4.28Å; Q70-I73 WeakPolarHBondContact O-CA 3.24Å; Q70-I73 PolarHBondContact O-N 3.12Å; Q70-R74 WeakPolarHBondContact O-CG 3.49Å; Q70-R74 PolarHBondContact O-N 2.97Å
71T97.1Very high97Very high106 Ų10649.5 Ų49.565%0.6525%0.247SC*.THydrogen-bonded Turntrans-48.7-40.1-177-53.70000113.8I73 P75T71-I73 VanDerWaalsContact C-N 3.28Å; T71-I73 PolarHBondContact O-N 3.44Å; T71-P75 WeakPolarHBondContact O-CD 3.42Å
72S96.4Very high97.2Very high86 Ų8648.3 Ų48.360%0.60125%0.25SC*.THydrogen-bonded Turntrans-71.8-16.7179.254.10000114.6Q70 Y76Q70-S72 PolarHBondContact O-N 2.95Å; S72-Y76 WeakPolarHBondContact O-CE2 3.4Å
73I96Very high97.2Very high25 Ų2554.5 Ų54.513%0.12828%0.283CS..THydrogen-bonded Turntrans-98.6-32.5-175.1-59.7174.3000111.9G68 Q70 T71 P75 Y76G68-I73 WeakPolarHBondContact O-CG2 3.36Å; Q70-I73 HydrophobicContact CB-CD1 4.07Å; Q70-I73 HydrophobicContact CB-CG1 4.29Å; Q70-I73 HydrophobicContact CG-CD1 4.28Å; Q70-I73 WeakPolarHBondContact O-CA 3.24Å; Q70-I73 PolarHBondContact O-N 3.12Å; T71-I73 VanDerWaalsContact C-N 3.28Å; T71-I73 PolarHBondContact O-N 3.44Å; I73-P75 VanDerWaalsContact C-N 3.33Å; I73-Y76 WeakPolarHBondContact O-CB 3.22Å; I73-Y76 WeakPolarHBondContact O-CD2 3.48Å; I73-Y76 PolarHBondContact O-N 3Å
74R97.6Very high97.3Very high15 Ų1552.3 Ų52.36%0.05727%0.274CS..G310 helixtrans-54.1-36.4-175-52.4-177.9-161.9144.27.4115.2L24 D25 G69 Q70 Y76 W77 E105L24-R74 VanDerWaalsContact CD2-CZ 3.41Å; D25-R74 IonicContact OD1-NH2 2.76Å; D25-R74 PolarHBondContact OD1-NH2 3.27Å; G69-R74 PolarHBondContact O-NE 2.74Å; G69-R74 PolarHBondContact O-NH2 3.33Å; G69-R74 VanDerWaalsContact O-NH2 3.16Å; Q70-R74 WeakPolarHBondContact O-CG 3.49Å; Q70-R74 PolarHBondContact O-N 2.97Å; R74-Y76 PolarHBondContact O-N 3.13Å; R74-W77 HydrophobicContact CB-CD2 4.09Å; R74-W77 HydrophobicContact CB-CE3 4.4Å; R74-W77 HydrophobicContact CB-CZ2 4.21Å; R74-W77 HydrophobicContact CG-CD2 4.44Å; R74-W77 HydrophobicContact CG-CH2 4.07Å; R74-W77 HydrophobicContact CG-CZ2 3.65Å; R74-W77 WeakPolarHBondContact O-CB 3.44Å; R74-W77 VanDerWaalsContact O-CG 3.26Å; R74-W77 PolarHBondContact O-N 2.59Å; R74-E105 WeakPolarHBondContact CD-OE1 3.4Å; R74-E105 IonicContact CZ-OE1 2.67Å; R74-E105 IonicContact NE-OE1 3.82Å; R74-E105 IonicContact NH1-OE1 3.83Å; R74-E105 PolarHBondContact NH1-OE1 3.49Å
75P96.3Very high97.2Very high77 Ų7754.3 Ų54.350%0.528%0.284SS..G310 helixtrans-59.1-18.4174.7-26.736.7000114.9T71 I73 R78T71-P75 WeakPolarHBondContact O-CD 3.42Å; I73-P75 VanDerWaalsContact C-N 3.33Å; P75-R78 PolarHBondContact O-NE 3.38Å
76Y96.3Very high97.2Very high143 Ų14352.8 Ų52.856%0.56128%0.281SS*.G310 helixtrans-94.2-4.4178.9-56.9-78.4000113.5S72 I73 R74 R78 C79 Y80S72-Y76 WeakPolarHBondContact O-CE2 3.4Å; I73-Y76 WeakPolarHBondContact O-CB 3.22Å; I73-Y76 WeakPolarHBondContact O-CD2 3.48Å; I73-Y76 PolarHBondContact O-N 3Å; R74-Y76 PolarHBondContact O-N 3.13Å; Y76-R78 PolarHBondContact O-N 3.14Å; Y76-C79 VanDerWaalsContact O-CB 3.31Å; Y76-C79 WeakPolarHBondContact O-CB 3.48Å; Y76-C79 PolarHBondContact O-N 3.31Å; Y76-Y80 WeakPolarHBondContact O-CD2 3.38Å; Y76-Y80 WeakPolarHBondContact O-CE2 3.35Å
77W98.1Very high97.2Very high3 Ų352.8 Ų52.81%0.01128%0.281CS..G310 helixtrans-54.5-40176.4-70.6-9.1000112.1L22 G23 L67 G68 R74 C79 Y80 Y81 Y89 E105L22-W77 HydrophobicContact CD2-CB 4.07Å; L22-W77 HydrophobicContact CD2-CD2 3.22Å; L22-W77 HydrophobicContact CD2-CE3 3.59Å; L22-W77 HydrophobicContact CD2-CG 3.47Å; L22-W77 VanDerWaalsContact CD2-CG 3.47Å; L22-W77 HydrophobicContact CD2-CH2 4.2Å; L22-W77 HydrophobicContact CD2-CZ2 3.9Å; L22-W77 HydrophobicContact CD2-CZ3 4.05Å; G23-W77 WeakPolarHBondContact O-CZ2 3.26Å; L67-W77 HydrophobicContact CD1-CB 4.44Å; L67-W77 HydrophobicContact CD1-CG 4.46Å; G68-W77 PolarHBondContact O-NE1 3.16Å; R74-W77 HydrophobicContact CB-CD2 4.09Å; R74-W77 HydrophobicContact CB-CE3 4.4Å; R74-W77 HydrophobicContact CB-CZ2 4.21Å; R74-W77 HydrophobicContact CG-CD2 4.44Å; R74-W77 HydrophobicContact CG-CH2 4.07Å; R74-W77 HydrophobicContact CG-CZ2 3.65Å; R74-W77 WeakPolarHBondContact O-CB 3.44Å; R74-W77 VanDerWaalsContact O-CG 3.26Å; R74-W77 PolarHBondContact O-N 2.59Å; W77-C79 PolarHBondContact O-N 3.07Å; W77-C79 VanDerWaalsContact O-N 3.09Å; W77-Y80 PolarHBondContact O-N 2.98Å; W77-Y81 HydrophobicContact CB-CE1 3.82Å; W77-Y81 WeakPolarHBondContact CB-OH 3.31Å; W77-Y81 VanDerWaalsContact O-CD1 3.29Å; W77-Y81 WeakPolarHBondContact O-CD1 3.43Å; W77-Y81 VanDerWaalsContact O-CE1 3.24Å; W77-Y81 WeakPolarHBondContact O-CE1 2.9Å; W77-Y89 HydrophobicContact CZ3-CE2 4.42Å; W77-E105 HydrophobicContact CH2-CB 4.28Å; W77-E105 HydrophobicContact CZ3-CB 3.9Å
78R97.8Very high97.3Very high158 Ų15853.3 Ų53.360%0.59628%0.283SS*.G310 helixtrans-56.6-25.417866.5-175.7176166.54115.2P75 Y76 Y80 Y81P75-R78 PolarHBondContact O-NE 3.38Å; Y76-R78 PolarHBondContact O-N 3.14Å; R78-Y80 PolarHBondContact O-N 2.76Å; R78-Y80 VanDerWaalsContact O-N 3.1Å; R78-Y81 VanDerWaalsContact CA-CD2 3.47Å; R78-Y81 HydrophobicContact CB-CD2 3.89Å; R78-Y81 HydrophobicContact CB-CE2 3.58Å; R78-Y81 PolarHBondContact O-N 3.5Å
79C97.1Very high97.3Very high84 Ų8453.2 Ų53.257%0.56828%0.283SS*.G310 helixtrans-65.4-12.8176.1-60.10000113Y76 W77Y76-C79 VanDerWaalsContact O-CB 3.31Å; Y76-C79 WeakPolarHBondContact O-CB 3.48Å; Y76-C79 PolarHBondContact O-N 3.31Å; W77-C79 PolarHBondContact O-N 3.07Å; W77-C79 VanDerWaalsContact O-N 3.09Å
80Y97.5Very high97.4Very high56 Ų5653 Ų5322%0.2228%0.281CS..G310 helixtrans-116.70.2-174.1-53.4-78.9000114.2R18 F50 W65 L67 Y76 W77 R78 S82R18-Y80 PolarHBondContact NH2-O 3.44Å; R18-Y80 VanDerWaalsContact NH2-O 3.17Å; F50-Y80 AromaticContact CD1-CE1 3.66Å; F50-Y80 HydrophobicContact CD1-CE1 3.66Å; F50-Y80 AromaticContact CD1-CZ 3.54Å; F50-Y80 WeakPolarHBondContact CD1-OH 3.37Å; F50-Y80 AromaticContact CE1-CE1 3.72Å; F50-Y80 HydrophobicContact CE1-CE1 3.72Å; F50-Y80 AromaticContact CE1-CZ 3.88Å; F50-Y80 WeakPolarHBondContact CE1-OH 3.46Å; F50-Y80 HydrophobicContact CG-CE1 4.1Å; F50-Y80 HydrophobicContact CZ-CE1 4.22Å; W65-Y80 AromaticContact CE3-CD1 3.81Å; W65-Y80 HydrophobicContact CE3-CD1 3.81Å; W65-Y80 HydrophobicContact CE3-CE1 4.41Å; W65-Y80 AromaticContact CZ3-CD1 3.73Å; W65-Y80 HydrophobicContact CZ3-CD1 3.73Å; W65-Y80 HydrophobicContact CZ3-CE1 4.09Å; L67-Y80 HydrophobicContact CD1-CD2 4.02Å; L67-Y80 HydrophobicContact CD1-CG 4.3Å; L67-Y80 HydrophobicContact CD2-CD2 3.84Å; L67-Y80 HydrophobicContact CD2-CE2 4.28Å; L67-Y80 HydrophobicContact CD2-CG 3.99Å; Y76-Y80 WeakPolarHBondContact O-CD2 3.38Å; Y76-Y80 WeakPolarHBondContact O-CE2 3.35Å; W77-Y80 PolarHBondContact O-N 2.98Å; R78-Y80 PolarHBondContact O-N 2.76Å; R78-Y80 VanDerWaalsContact O-N 3.1Å; Y80-S82 PolarHBondContact O-N 3Å
81Y98.3Very high97.5Very high10 Ų1049.9 Ų49.94%0.03927%0.266CS..  trans-67.6-32.1-174.2-68.1-10.2000114.4L20 L22 W77 R78 N83 T84 M109 E112 L115L20-Y81 HydrophobicContact CD1-CD1 3.69Å; L20-Y81 HydrophobicContact CD1-CE1 4.36Å; L22-Y81 HydrophobicContact CD1-CE1 4.16Å; W77-Y81 HydrophobicContact CB-CE1 3.82Å; W77-Y81 WeakPolarHBondContact CB-OH 3.31Å; W77-Y81 VanDerWaalsContact O-CD1 3.29Å; W77-Y81 WeakPolarHBondContact O-CD1 3.43Å; W77-Y81 VanDerWaalsContact O-CE1 3.24Å; W77-Y81 WeakPolarHBondContact O-CE1 2.9Å; R78-Y81 VanDerWaalsContact CA-CD2 3.47Å; R78-Y81 HydrophobicContact CB-CD2 3.89Å; R78-Y81 HydrophobicContact CB-CE2 3.58Å; R78-Y81 PolarHBondContact O-N 3.5Å; Y81-N83 PolarHBondContact O-N 2.88Å; Y81-T84 VanDerWaalsContact O-CB 3.31Å; Y81-T84 WeakPolarHBondContact O-CB 3.31Å; Y81-T84 PolarHBondContact O-N 3.16Å; Y81-T84 PolarHBondContact O-OG1 2.81Å; Y81-M109 HydrophobicContact CE1-CG 4.07Å; Y81-M109 HydrophobicContact CE2-CG 4.38Å; Y81-E112 HydrophobicContact CD2-CB 3.86Å; Y81-E112 HydrophobicContact CD2-CG 4.09Å; Y81-E112 HydrophobicContact CE2-CB 3.99Å; Y81-E112 HydrophobicContact CE2-CG 3.73Å; Y81-L115 HydrophobicContact CD1-CD1 3.74Å; Y81-L115 HydrophobicContact CD1-CD2 4.28Å; Y81-L115 HydrophobicContact CD1-CG 4.25Å; Y81-L115 HydrophobicContact CD2-CD1 3.8Å; Y81-L115 HydrophobicContact CD2-CG 4.08Å; Y81-L115 HydrophobicContact CE1-CD1 3.93Å; Y81-L115 HydrophobicContact CE2-CD1 4.04Å; Y81-L115 HydrophobicContact CG-CD1 3.67Å; Y81-L115 HydrophobicContact CG-CD2 4.09Å; Y81-L115 HydrophobicContact CG-CG 3.82Å
82S96.8Very high97.6Very high60 Ų6045.8 Ų45.842%0.4224%0.24SC..THydrogen-bonded Turntrans-55.9139.2-176.4-500000112.4R18 Y80 T84R18-S82 PolarHBondContact NE-O 3.47Å; Y80-S82 PolarHBondContact O-N 3Å; S82-T84 PolarHBondContact O-N 2.79Å
83N95.1Very high97.7Very high142 Ų14241.7 Ų41.776%0.75921%0.212SC*.THydrogen-bonded Turntrans63.916.4178.1-50.6-54.5000115.7R18 Y81 D85R18-N83 VanDerWaalsContact CD-O 3.3Å; R18-N83 WeakPolarHBondContact CD-O 3.37Å; Y81-N83 PolarHBondContact O-N 2.88Å; N83-D85 PolarHBondContact O-N 2.82Å
84T98Very high97.8Very high11 Ų1142.3 Ų42.37%0.06722%0.22CC..  trans-72122.2178.6-59.10000111.1L20 Y81 S82 A86 I87 L115 A118L20-T84 HydrophobicContact CB-CG2 4.2Å; L20-T84 HydrophobicContact CD1-CG2 4.04Å; L20-T84 VanDerWaalsContact CD1-OG1 3.28Å; L20-T84 WeakPolarHBondContact CD1-OG1 3.18Å; L20-T84 HydrophobicContact CG-CG2 3.7Å; L20-T84 WeakPolarHBondContact CG-OG1 3.38Å; Y81-T84 VanDerWaalsContact O-CB 3.31Å; Y81-T84 WeakPolarHBondContact O-CB 3.31Å; Y81-T84 PolarHBondContact O-N 3.16Å; Y81-T84 PolarHBondContact O-OG1 2.81Å; S82-T84 PolarHBondContact O-N 2.79Å; T84-A86 WeakPolarHBondContact CG2-O 3.47Å; T84-I87 HydrophobicContact CG2-CG1 4.07Å; T84-L115 HydrophobicContact CG2-CD2 4.04Å; T84-A118 HydrophobicContact CG2-CB 4.28Å
85D96.8Very high97.9Very high49 Ų4943.1 Ų43.126%0.26223%0.226SC..SBendtrans-83.1-37.6175.1-61.4-77.8000111.1K15 L17 R18 N83 A118 I119K15-D85 IonicContact NZ-OD1 2.82Å; K15-D85 PolarHBondContact NZ-OD1 2.98Å; K15-D85 IonicContact NZ-OD2 3.14Å; L17-D85 WeakPolarHBondContact CA-OD2 3.13Å; L17-D85 HydrophobicContact CD2-CB 4.06Å; R18-D85 PolarHBondContact N-OD2 3.33Å; R18-D85 PolarHBondContact O-N 3.07Å; N83-D85 PolarHBondContact O-N 2.82Å; D85-A118 WeakPolarHBondContact O-CA 3.35Å; D85-I119 PolarHBondContact O-N 2.8Å
86A97.9Very high98Very high11 Ų1144.9 Ų44.99%0.09123%0.226CC..EExtended strand (participates in β ladder)trans-144.2151.2-179.300000113R18 I19 L20 T84 I119R18-A86 PolarHBondContact O-N 3.47Å; I19-A86 VanDerWaalsContact CA-O 3.32Å; I19-A86 WeakPolarHBondContact CA-O 3.19Å; I19-A86 HydrophobicContact CG1-CB 4.23Å; L20-A86 PolarHBondContact N-O 3.48Å; T84-A86 WeakPolarHBondContact CG2-O 3.47Å; A86-I119 CarbonylContact C-O 3.58Å; A86-I119 WeakPolarHBondContact CA-O 3.37Å; A86-I119 HydrophobicContact CB-CD1 3.89Å; A86-I119 HydrophobicContact CB-CG1 3.38Å
87I98.7Very high98.1Very high0 Ų045.5 Ų45.50%024%0.239CC..EExtended strand (participates in β ladder)trans-115.6127.7174.4-56.9163.4000108.4L20 L22 T84 M109 L110 L115 A118 I119 L120 V121L20-I87 CarbonylContact O-C 3.59Å; L20-I87 WeakPolarHBondContact O-CA 3.41Å; L22-I87 HydrophobicContact CD1-CG2 4.43Å; T84-I87 HydrophobicContact CG2-CG1 4.07Å; I87-M109 HydrophobicContact CD1-CE 4.16Å; I87-M109 HydrophobicContact CG2-CE 3.89Å; I87-M109 HydrophobicContact CG2-SD 4.22Å; I87-L110 HydrophobicContact CD1-CD2 4Å; I87-L115 HydrophobicContact CD1-CB 4.16Å; I87-L115 HydrophobicContact CD1-CD1 3.81Å; I87-L115 HydrophobicContact CD1-CD2 4.04Å; I87-L115 HydrophobicContact CD1-CG 4.21Å; I87-L115 HydrophobicContact CG1-CD2 4.35Å; I87-A118 HydrophobicContact CD1-CB 4.04Å; I87-A118 HydrophobicContact CG1-CB 4.04Å; I87-I119 PolarHBondContact N-O 2.68Å; I87-L120 HydrophobicContact CB-CD1 4.11Å; I87-L120 HydrophobicContact CG2-CD1 4.01Å; I87-V121 PolarHBondContact O-N 3.01Å
88I98.8Very high98.1Very high11 Ų1148.6 Ų48.66%0.05625%0.25CS..EExtended strand (participates in β ladder)trans-101.1106.9164-61.9177.4000107.4I19 L20 I21 L22 V90 V121 L123 M169I19-I88 HydrophobicContact CG2-CB 4.45Å; I19-I88 HydrophobicContact CG2-CD1 3.81Å; I19-I88 HydrophobicContact CG2-CG1 3.78Å; L20-I88 PolarHBondContact O-N 3.45Å; I21-I88 CarbonylContact C-O 3.47Å; I21-I88 VanDerWaalsContact CA-O 3.31Å; I21-I88 WeakPolarHBondContact CA-O 3.25Å; I21-I88 HydrophobicContact CB-CB 4.28Å; I21-I88 HydrophobicContact CD1-CG2 4.12Å; I21-I88 HydrophobicContact CG1-CB 4.05Å; I21-I88 HydrophobicContact CG1-CG2 3.94Å; L22-I88 PolarHBondContact N-O 3.05Å; I88-V90 HydrophobicContact CG2-CG2 4.03Å; I88-V121 CarbonylContact C-O 3.56Å; I88-V121 WeakPolarHBondContact CA-O 3.37Å; I88-V121 HydrophobicContact CG1-CB 4.27Å; I88-L123 HydrophobicContact CG2-CD1 3.53Å; I88-L123 HydrophobicContact CG2-CG 3.81Å; I88-M169 HydrophobicContact CD1-SD 4.41Å
89Y98.9Very high98.1Very high0 Ų042.1 Ų42.10%023%0.228CC..EExtended strand (participates in β ladder)trans-98.8114.5176.4-164-99.1000110.7L22 W77 V91 S102 L106 M109 V121 V122 L123L22-Y89 HydrophobicContact CB-CD2 3.95Å; L22-Y89 HydrophobicContact CB-CE2 4.36Å; L22-Y89 WeakPolarHBondContact O-CA 3.41Å; W77-Y89 HydrophobicContact CZ3-CE2 4.42Å; Y89-V91 HydrophobicContact CD1-CG2 3.79Å; Y89-V91 HydrophobicContact CE1-CG2 3.8Å; Y89-S102 WeakPolarHBondContact CE1-OG 3.47Å; Y89-S102 PolarHBondContact OH-O 3.01Å; Y89-S102 PolarHBondContact OH-OG 2.89Å; Y89-L106 HydrophobicContact CD1-CB 4.27Å; Y89-L106 HydrophobicContact CD1-CD1 3.87Å; Y89-L106 HydrophobicContact CD1-CD2 4.18Å; Y89-L106 HydrophobicContact CD1-CG 4.34Å; Y89-L106 HydrophobicContact CD2-CD1 3.91Å; Y89-L106 HydrophobicContact CE1-CB 3.75Å; Y89-L106 HydrophobicContact CE1-CD1 4.22Å; Y89-L106 HydrophobicContact CE1-CD2 4.29Å; Y89-L106 HydrophobicContact CE1-CG 4.31Å; Y89-L106 HydrophobicContact CE2-CB 4.2Å; Y89-L106 HydrophobicContact CE2-CD1 4.28Å; Y89-L106 HydrophobicContact CG-CD1 3.7Å; Y89-L106 PolarHBondContact OH-N 3.29Å; Y89-M109 HydrophobicContact CD2-CE 3.91Å; Y89-M109 HydrophobicContact CD2-SD 4.45Å; Y89-M109 HydrophobicContact CE2-CE 4.4Å; Y89-V121 PolarHBondContact N-O 3.27Å; Y89-V122 CarbonylContact O-C 3.58Å; Y89-V122 WeakPolarHBondContact O-CA 3.05Å; Y89-L123 PolarHBondContact O-N 3.02Å
90V99Very high98.2Very high0 Ų039.9 Ų39.90%022%0.22CC..EExtended strand (participates in β ladder)trans-99.4125.9-173.6-171.20000110.3I21 L22 A27 K29 I32 I88 L123 N125I21-V90 HydrophobicContact CD1-CG2 3.87Å; I21-V90 HydrophobicContact CG1-CG2 3.76Å; L22-V90 PolarHBondContact O-N 3.28Å; A27-V90 HydrophobicContact CB-CB 4.36Å; A27-V90 HydrophobicContact CB-CG1 4.05Å; A27-V90 WeakPolarHBondContact O-CG1 3.34Å; K29-V90 HydrophobicContact CG-CB 3.83Å; K29-V90 HydrophobicContact CG-CG1 4.48Å; K29-V90 HydrophobicContact CG-CG2 3.8Å; I32-V90 HydrophobicContact CD1-CB 4.46Å; I32-V90 HydrophobicContact CD1-CG1 3.64Å; I32-V90 HydrophobicContact CD1-CG2 3.89Å; I88-V90 HydrophobicContact CG2-CG2 4.03Å; V90-L123 HydrophobicContact CG2-CB 4.43Å; V90-L123 HydrophobicContact CG2-CD1 4.45Å; V90-N125 HydrophobicContact CG1-CB 3.77Å
91V98.9Very high98.3Very high1 Ų140.2 Ų40.21%0.00623%0.225CC..EExtended strand (participates in β ladder)trans-114.9129.5177.7-1780000109.9Y89 S93 V99 V122 L123 N125 V138 L142Y89-V91 HydrophobicContact CD1-CG2 3.79Å; Y89-V91 HydrophobicContact CE1-CG2 3.8Å; V91-S93 PolarHBondContact O-N 3.03Å; V91-V99 HydrophobicContact CG1-CG2 4.32Å; V91-V122 HydrophobicContact CG2-CG1 4.35Å; V91-L123 PolarHBondContact N-O 3.26Å; V91-N125 PolarHBondContact O-N 3.45Å; V91-V138 HydrophobicContact CB-CG1 4.14Å; V91-V138 HydrophobicContact CG1-CG1 4Å; V91-V138 HydrophobicContact CG2-CG1 4.45Å; V91-L142 HydrophobicContact CG2-CD1 3.72Å; V91-L142 HydrophobicContact CG2-CD2 4.15Å; V91-L142 HydrophobicContact CG2-CG 4.44Å
92D98.8Very high98.3Very high20 Ų2039.9 Ų39.911%0.10722%0.224CC..EExtended strand (participates in β ladder)trans-73.5106.9169.7-169-22.7000109.5A27 A94 D95 K126A27-D92 HydrophobicContact CB-CB 4.34Å; D92-A94 PolarHBondContact O-N 3.17Å; D92-A94 WeakPolarHBondContact OD1-CA 3.31Å; D92-A94 WeakPolarHBondContact OD1-CB 3.37Å; D92-A94 PolarHBondContact OD1-N 3.01Å; D92-D95 HydrophobicContact CB-CB 3.73Å; D92-D95 PolarHBondContact O-N 3.27Å; D92-D95 PolarHBondContact OD1-N 3.12Å; D92-K126 WeakPolarHBondContact OD1-CD 3.47Å; D92-K126 IonicContact OD1-NZ 2.89Å; D92-K126 VanDerWaalsContact OD2-CE 3.25Å; D92-K126 WeakPolarHBondContact OD2-CE 3.4Å; D92-K126 IonicContact OD2-NZ 3.91Å; D92-K126 PolarHBondContact OD2-NZ 3.19Å
93S98.9Very high98.4Very high0 Ų043 Ų430%023%0.227CC..SBendtrans-72-19.1179.1-480000112.1V91 A124 N125 Q127 C132 L133V91-S93 PolarHBondContact O-N 3.03Å; S93-A124 VanDerWaalsContact OG-C 3.31Å; S93-N125 WeakPolarHBondContact CB-O 3.49Å; S93-N125 PolarHBondContact N-O 2.95Å; S93-N125 PolarHBondContact OG-N 2.93Å; S93-N125 PolarHBondContact OG-O 3.38Å; S93-Q127 PolarHBondContact OG-NE2 3.07Å; S93-C132 CarbonylContact O-C 3.54Å; S93-C132 WeakPolarHBondContact O-CA 3.11Å; S93-C132 WeakPolarHBondContact O-CB 3.25Å; S93-L133 WeakPolarHBondContact O-CB 3.46Å; S93-L133 WeakPolarHBondContact O-CG 3.35Å; S93-L133 PolarHBondContact O-N 3.28Å
94A98.7Very high98.6Very high37 Ų3742.6 Ų42.631%0.30622%0.22SC..SBendtrans-84.6-20.8176.900000112.6D92 K96 I129 C132D92-A94 PolarHBondContact O-N 3.17Å; D92-A94 WeakPolarHBondContact OD1-CA 3.31Å; D92-A94 WeakPolarHBondContact OD1-CB 3.37Å; D92-A94 PolarHBondContact OD1-N 3.01Å; A94-K96 PolarHBondContact O-N 3.23Å; A94-I129 HydrophobicContact CB-CB 4.17Å; A94-I129 HydrophobicContact CB-CD1 3.78Å; A94-I129 HydrophobicContact CB-CG2 3.98Å; A94-C132 HydrophobicContact CB-CB 4.41Å
95D98.6Very high98.6Very high33 Ų3344.4 Ų44.418%0.17623%0.227CC..  trans-89.475.8179.2-166-21.1000111.9D92 D97 R98 V99D92-D95 HydrophobicContact CB-CB 3.73Å; D92-D95 PolarHBondContact O-N 3.27Å; D92-D95 PolarHBondContact OD1-N 3.12Å; D95-D97 PolarHBondContact O-N 2.96Å; D95-R98 PolarHBondContact O-N 3.36Å; D95-R98 WeakPolarHBondContact OD1-CB 3.27Å; D95-R98 WeakPolarHBondContact OD1-CG 3.34Å; D95-R98 PolarHBondContact OD1-N 2.84Å; D95-R98 IonicContact OD1-NE 2.98Å; D95-R98 IonicContact OD2-CZ 2.87Å; D95-R98 IonicContact OD2-NE 3.88Å; D95-R98 PolarHBondContact OD2-NE 2.97Å; D95-R98 IonicContact OD2-NH2 3.07Å; D95-R98 PolarHBondContact OD2-NH2 3.2Å; D95-V99 PolarHBondContact O-N 3.42Å
96K98.3Very high98.7Very high113 Ų11342.1 Ų42.149%0.49122%0.215SC..THydrogen-bonded Turntrans-63-31.6-179.4-61.3-179.6-175.4175.40112.6A94 V99 G131 L133A94-K96 PolarHBondContact O-N 3.23Å; K96-V99 WeakPolarHBondContact O-CG1 3.24Å; K96-G131 WeakPolarHBondContact CE-O 3.41Å; K96-G131 PolarHBondContact NZ-O 3.02Å; K96-L133 HydrophobicContact CD-CD2 4.41Å; K96-L133 HydrophobicContact CG-CD1 4.48Å; K96-L133 HydrophobicContact CG-CD2 4.03Å; K96-L133 HydrophobicContact CG-CG 4.01Å
97D98.5Very high98.7Very high156 Ų15644.4 Ų44.483%0.83423%0.228SC*.THydrogen-bonded Turntrans-73.3-33.5-173.7-62.4-30000111.6D95D95-D97 PolarHBondContact O-N 2.96Å
98R98.7Very high98.6Very high68 Ų6847.4 Ų47.426%0.25725%0.249SC..THydrogen-bonded Turntrans-100.52-177.9-58.9-166.8-64.3160.78.2114.8L24 D25 D95 G100 I101 S102L24-R98 HydrophobicContact CD1-CB 3.81Å; D25-R98 PolarHBondContact O-NH2 2.94Å; D25-R98 IonicContact OD1-NH1 3.8Å; D25-R98 PolarHBondContact OD1-NH1 3.19Å; D25-R98 IonicContact OD2-CZ 4Å; D25-R98 IonicContact OD2-NH1 3.31Å; D25-R98 PolarHBondContact OD2-NH1 3.28Å; D25-R98 IonicContact OD2-NH2 3.86Å; D95-R98 PolarHBondContact O-N 3.36Å; D95-R98 WeakPolarHBondContact OD1-CB 3.27Å; D95-R98 WeakPolarHBondContact OD1-CG 3.34Å; D95-R98 PolarHBondContact OD1-N 2.84Å; D95-R98 IonicContact OD1-NE 2.98Å; D95-R98 IonicContact OD2-CZ 2.87Å; D95-R98 IonicContact OD2-NE 3.88Å; D95-R98 PolarHBondContact OD2-NE 2.97Å; D95-R98 IonicContact OD2-NH2 3.07Å; D95-R98 PolarHBondContact OD2-NH2 3.2Å; R98-G100 PolarHBondContact O-N 3.33Å; R98-I101 HydrophobicContact CB-CD1 4.3Å; R98-I101 HydrophobicContact CG-CD1 4.15Å; R98-I101 WeakPolarHBondContact O-CB 3.3Å; R98-I101 PolarHBondContact O-N 3.18Å; R98-S102 PolarHBondContact O-N 3.22Å
99V98.7Very high98.6Very high22 Ų2247 Ų4713%0.13325%0.247CC..Hα-helixtrans-58.7-33.5177.775.70000112.6V91 D95 K96 S102 R103 L133 A141V91-V99 HydrophobicContact CG1-CG2 4.32Å; D95-V99 PolarHBondContact O-N 3.42Å; K96-V99 WeakPolarHBondContact O-CG1 3.24Å; V99-S102 WeakPolarHBondContact O-CB 3.3Å; V99-S102 PolarHBondContact O-N 3.39Å; V99-R103 PolarHBondContact O-N 2.9Å; V99-L133 HydrophobicContact CB-CD1 4.18Å; V99-L133 HydrophobicContact CG1-CD1 4.33Å; V99-L133 HydrophobicContact CG2-CD1 4.06Å; V99-A141 HydrophobicContact CG1-CB 4.1Å; V99-A141 HydrophobicContact CG2-CB 3.69Å
100G98.6Very high98.5Very high38 Ų3848 Ų4839%0.39225%0.252SS..Hα-helixtrans-65.9-36.6174.600000113.4R98 R103 Q104R98-G100 PolarHBondContact O-N 3.33Å; G100-R103 PolarHBondContact O-N 3.45Å; G100-Q104 WeakPolarHBondContact O-CG 3.42Å; G100-Q104 PolarHBondContact O-N 2.9Å
101I98.7Very high98.3Very high62 Ų6254.9 Ų54.932%0.31828%0.284SS..Hα-helixtrans-67.7-44.2172.6-57.1174000109L24 R98 R103 Q104 E105L24-I101 HydrophobicContact CD1-CB 4.24Å; L24-I101 HydrophobicContact CD1-CG2 4.31Å; L24-I101 HydrophobicContact CD2-CG2 4.09Å; R98-I101 HydrophobicContact CB-CD1 4.3Å; R98-I101 HydrophobicContact CG-CD1 4.15Å; R98-I101 WeakPolarHBondContact O-CB 3.3Å; R98-I101 PolarHBondContact O-N 3.18Å; I101-R103 PolarHBondContact O-N 2.9Å; I101-Q104 WeakPolarHBondContact O-CB 3.34Å; I101-Q104 PolarHBondContact O-N 3.44Å; I101-E105 HydrophobicContact CG2-CG 4.33Å; I101-E105 WeakPolarHBondContact O-CG 3.43Å; I101-E105 PolarHBondContact O-N 3.03Å
102S98.8Very high98.3Very high3 Ų357.9 Ų57.92%0.02130%0.298CS..Hα-helixtrans-56.3-39.5176.2-167.10000112.1Y89 R98 V99 L106Y89-S102 WeakPolarHBondContact CE1-OG 3.47Å; Y89-S102 PolarHBondContact OH-O 3.01Å; Y89-S102 PolarHBondContact OH-OG 2.89Å; R98-S102 PolarHBondContact O-N 3.22Å; V99-S102 WeakPolarHBondContact O-CB 3.3Å; V99-S102 PolarHBondContact O-N 3.39Å; S102-L106 WeakPolarHBondContact O-CB 3.49Å; S102-L106 PolarHBondContact O-N 3.14Å
103R98.8Very high98.2Very high127 Ų12762.7 Ų62.748%0.47932%0.324SS..Hα-helixtrans-62.1-47.5172.1174.4170.3169.1-130.12.9112.4V99 G100 I101 E105 L106 V107 A141 L142V99-R103 PolarHBondContact O-N 2.9Å; G100-R103 PolarHBondContact O-N 3.45Å; I101-R103 PolarHBondContact O-N 2.9Å; R103-E105 VanDerWaalsContact C-N 3.33Å; R103-E105 PolarHBondContact O-N 2.91Å; R103-L106 PolarHBondContact O-N 3.25Å; R103-V107 HydrophobicContact CG-CG2 4.15Å; R103-V107 VanDerWaalsContact O-CG2 3.31Å; R103-V107 WeakPolarHBondContact O-CG2 3.07Å; R103-V107 PolarHBondContact O-N 2.97Å; R103-A141 WeakPolarHBondContact CD-O 3.36Å; R103-L142 HydrophobicContact CB-CD2 4.15Å; R103-L142 WeakPolarHBondContact CG-O 3.28Å
104Q98.6Very high98.1Very high133 Ų13367.3 Ų67.362%0.62135%0.346SS*.Hα-helixtrans-59.3-45.8-178.3-70.8169.39.700111.4G100 I101 V107 S108G100-Q104 WeakPolarHBondContact O-CG 3.42Å; G100-Q104 PolarHBondContact O-N 2.9Å; I101-Q104 WeakPolarHBondContact O-CB 3.34Å; I101-Q104 PolarHBondContact O-N 3.44Å; Q104-V107 PolarHBondContact O-N 3.12Å; Q104-S108 WeakPolarHBondContact O-CB 3.35Å; Q104-S108 PolarHBondContact O-N 2.87Å
105E98.7Very high98.1Very high48 Ų4865.6 Ų65.622%0.22433%0.331CS..Hα-helixtrans-65.4-42177.8-58.1-68.7176.400111.7L24 R74 W77 I101 R103 M109L24-E105 HydrophobicContact CD2-CG 3.89Å; R74-E105 WeakPolarHBondContact CD-OE1 3.4Å; R74-E105 IonicContact CZ-OE1 2.67Å; R74-E105 IonicContact NE-OE1 3.82Å; R74-E105 IonicContact NH1-OE1 3.83Å; R74-E105 PolarHBondContact NH1-OE1 3.49Å; W77-E105 HydrophobicContact CH2-CB 4.28Å; W77-E105 HydrophobicContact CZ3-CB 3.9Å; I101-E105 HydrophobicContact CG2-CG 4.33Å; I101-E105 WeakPolarHBondContact O-CG 3.43Å; I101-E105 PolarHBondContact O-N 3.03Å; R103-E105 VanDerWaalsContact C-N 3.33Å; R103-E105 PolarHBondContact O-N 2.91Å; E105-M109 VanDerWaalsContact O-CB 3.24Å; E105-M109 WeakPolarHBondContact O-CB 3.36Å; E105-M109 PolarHBondContact O-N 3.29Å
106L98.7Very high97.9Very high2 Ų269.9 Ų69.91%0.0135%0.348CS..Hα-helixtrans-59.6-50.5175.2177.360.8000111.3Y89 S102 R103 M109 L110 L120 L142 L144Y89-L106 HydrophobicContact CD1-CB 4.27Å; Y89-L106 HydrophobicContact CD1-CD1 3.87Å; Y89-L106 HydrophobicContact CD1-CD2 4.18Å; Y89-L106 HydrophobicContact CD1-CG 4.34Å; Y89-L106 HydrophobicContact CD2-CD1 3.91Å; Y89-L106 HydrophobicContact CE1-CB 3.75Å; Y89-L106 HydrophobicContact CE1-CD1 4.22Å; Y89-L106 HydrophobicContact CE1-CD2 4.29Å; Y89-L106 HydrophobicContact CE1-CG 4.31Å; Y89-L106 HydrophobicContact CE2-CB 4.2Å; Y89-L106 HydrophobicContact CE2-CD1 4.28Å; Y89-L106 HydrophobicContact CG-CD1 3.7Å; Y89-L106 PolarHBondContact OH-N 3.29Å; S102-L106 WeakPolarHBondContact O-CB 3.49Å; S102-L106 PolarHBondContact O-N 3.14Å; R103-L106 PolarHBondContact O-N 3.25Å; L106-M109 HydrophobicContact CD1-CE 3.61Å; L106-M109 PolarHBondContact O-N 3.49Å; L106-L110 HydrophobicContact CD1-CD1 3.67Å; L106-L110 HydrophobicContact CD1-CG 3.95Å; L106-L110 HydrophobicContact CG-CD1 3.94Å; L106-L110 HydrophobicContact CG-CG 4.48Å; L106-L110 WeakPolarHBondContact O-CB 3.27Å; L106-L110 VanDerWaalsContact O-CG 3.22Å; L106-L110 WeakPolarHBondContact O-CG 3.5Å; L106-L110 PolarHBondContact O-N 2.89Å; L106-L120 HydrophobicContact CD1-CD1 4.33Å; L106-L120 HydrophobicContact CD1-CD2 4.34Å; L106-L142 HydrophobicContact CD2-CB 4.08Å; L106-L142 HydrophobicContact CD2-CD1 4.05Å; L106-L142 HydrophobicContact CD2-CD2 4.22Å; L106-L142 HydrophobicContact CD2-CG 4.34Å; L106-L144 HydrophobicContact CD2-CD2 3.8Å
107V98Very high97.8Very high59 Ų5971.2 Ų71.236%0.35836%0.361SS..Hα-helixtrans-62.8-49.6-178.5172.10000110.3R103 Q104 M109 L110 E111R103-V107 HydrophobicContact CG-CG2 4.15Å; R103-V107 VanDerWaalsContact O-CG2 3.31Å; R103-V107 WeakPolarHBondContact O-CG2 3.07Å; R103-V107 PolarHBondContact O-N 2.97Å; Q104-V107 PolarHBondContact O-N 3.12Å; V107-M109 VanDerWaalsContact C-N 3.29Å; V107-M109 PolarHBondContact O-N 3.22Å; V107-L110 PolarHBondContact O-N 3.41Å; V107-L110 VanDerWaalsContact O-N 3.12Å; V107-E111 WeakPolarHBondContact O-CG 3.42Å; V107-E111 PolarHBondContact O-N 2.58Å
108S97.4Very high97.7Very high63 Ų6363.9 Ų63.944%0.44132%0.322SS..Hα-helixtrans-59.7-39.1179.4-179.10000112.3Q104Q104-S108 WeakPolarHBondContact O-CB 3.35Å; Q104-S108 PolarHBondContact O-N 2.87Å
109M97.9Very high97.6Very high2 Ų263.7 Ų63.71%0.0133%0.325CS..Hα-helixtrans-66.1-42.7175.6171.8-167.472.900111.8L22 Y81 I87 Y89 E105 L106 V107 E111 E112 L115L22-M109 HydrophobicContact CB-SD 4.22Å; L22-M109 HydrophobicContact CD1-SD 3.32Å; L22-M109 WeakPolarHBondContact CD1-SD 3.36Å; L22-M109 HydrophobicContact CG-SD 4.29Å; Y81-M109 HydrophobicContact CE1-CG 4.07Å; Y81-M109 HydrophobicContact CE2-CG 4.38Å; I87-M109 HydrophobicContact CD1-CE 4.16Å; I87-M109 HydrophobicContact CG2-CE 3.89Å; I87-M109 HydrophobicContact CG2-SD 4.22Å; Y89-M109 HydrophobicContact CD2-CE 3.91Å; Y89-M109 HydrophobicContact CD2-SD 4.45Å; Y89-M109 HydrophobicContact CE2-CE 4.4Å; E105-M109 VanDerWaalsContact O-CB 3.24Å; E105-M109 WeakPolarHBondContact O-CB 3.36Å; E105-M109 PolarHBondContact O-N 3.29Å; L106-M109 HydrophobicContact CD1-CE 3.61Å; L106-M109 PolarHBondContact O-N 3.49Å; V107-M109 VanDerWaalsContact C-N 3.29Å; V107-M109 PolarHBondContact O-N 3.22Å; M109-E111 PolarHBondContact O-N 2.82Å; M109-E112 WeakPolarHBondContact O-CB 3.42Å; M109-E112 PolarHBondContact O-N 3.03Å; M109-L115 HydrophobicContact CG-CD1 3.43Å; M109-L115 VanDerWaalsContact CG-CD1 3.43Å; M109-L115 HydrophobicContact SD-CD1 4.26Å
110L97.2Very high97.7Very high21 Ų2162.7 Ų62.711%0.1132%0.319CS..Hα-helixtrans-73.8-12.6-175.5-67.7178.7000114.1I87 L106 V107 E112 L120 L147 R150I87-L110 HydrophobicContact CD1-CD2 4Å; L106-L110 HydrophobicContact CD1-CD1 3.67Å; L106-L110 HydrophobicContact CD1-CG 3.95Å; L106-L110 HydrophobicContact CG-CD1 3.94Å; L106-L110 HydrophobicContact CG-CG 4.48Å; L106-L110 WeakPolarHBondContact O-CB 3.27Å; L106-L110 VanDerWaalsContact O-CG 3.22Å; L106-L110 WeakPolarHBondContact O-CG 3.5Å; L106-L110 PolarHBondContact O-N 2.89Å; V107-L110 PolarHBondContact O-N 3.41Å; V107-L110 VanDerWaalsContact O-N 3.12Å; L110-E112 VanDerWaalsContact C-N 3.27Å; L110-L120 HydrophobicContact CD1-CD2 3.86Å; L110-L120 HydrophobicContact CD2-CD2 4.39Å; L110-L147 HydrophobicContact CD1-CD1 4.09Å; L110-L147 HydrophobicContact CD1-CD2 3.87Å; L110-R150 PolarHBondContact O-NH2 2.6Å
111E95.7Very high97.7Very high145 Ų14561.2 Ų61.268%0.67830%0.303SS*.THydrogen-bonded Turntrans-76.1-12.4172.3-73.4174.1170.600113.1V107 M109V107-E111 WeakPolarHBondContact O-CG 3.42Å; V107-E111 PolarHBondContact O-N 2.58Å; M109-E111 PolarHBondContact O-N 2.82Å
112E97.7Very high97.7Very high64 Ų6458.3 Ų58.330%0.29929%0.288SS..SBendtrans-81.5127.6-175-61.2-92.8-158.200110.8Y81 M109 L110 E114 L115Y81-E112 HydrophobicContact CD2-CB 3.86Å; Y81-E112 HydrophobicContact CD2-CG 4.09Å; Y81-E112 HydrophobicContact CE2-CB 3.99Å; Y81-E112 HydrophobicContact CE2-CG 3.73Å; M109-E112 WeakPolarHBondContact O-CB 3.42Å; M109-E112 PolarHBondContact O-N 3.03Å; L110-E112 VanDerWaalsContact C-N 3.27Å; E112-E114 PolarHBondContact O-N 3.29Å; E112-L115 PolarHBondContact O-N 3.33Å
113D96.5Very high97.7Very high120 Ų12058.3 Ų58.364%0.64229%0.288SS*.G310 helixtrans-60.2-32.6-171.3-94.7-30.2000112.7L115 K116D113-L115 PolarHBondContact O-N 3Å; D113-K116 WeakPolarHBondContact O-CB 3.41Å; D113-K116 WeakPolarHBondContact O-CD 3.42Å; D113-K116 WeakPolarHBondContact O-CG 3.29Å; D113-K116 PolarHBondContact O-N 2.76Å
114E97.9Very high97.7Very high98 Ų9852.3 Ų52.346%0.45827%0.265SS..G310 helixtrans-60-26.2176.2-68.691.5149.600112.7E112E112-E114 PolarHBondContact O-N 3.29Å
115L98Very high97.7Very high0 Ų046 Ų460%024%0.236CC..G310 helixtrans-101.20-178.7-63.8-178.4000113L20 Y81 T84 I87 M109 E112 D113 N117 A118 R150L20-L115 HydrophobicContact CD1-CD2 4.38Å; Y81-L115 HydrophobicContact CD1-CD1 3.74Å; Y81-L115 HydrophobicContact CD1-CD2 4.28Å; Y81-L115 HydrophobicContact CD1-CG 4.25Å; Y81-L115 HydrophobicContact CD2-CD1 3.8Å; Y81-L115 HydrophobicContact CD2-CG 4.08Å; Y81-L115 HydrophobicContact CE1-CD1 3.93Å; Y81-L115 HydrophobicContact CE2-CD1 4.04Å; Y81-L115 HydrophobicContact CG-CD1 3.67Å; Y81-L115 HydrophobicContact CG-CD2 4.09Å; Y81-L115 HydrophobicContact CG-CG 3.82Å; T84-L115 HydrophobicContact CG2-CD2 4.04Å; I87-L115 HydrophobicContact CD1-CB 4.16Å; I87-L115 HydrophobicContact CD1-CD1 3.81Å; I87-L115 HydrophobicContact CD1-CD2 4.04Å; I87-L115 HydrophobicContact CD1-CG 4.21Å; I87-L115 HydrophobicContact CG1-CD2 4.35Å; M109-L115 HydrophobicContact CG-CD1 3.43Å; M109-L115 VanDerWaalsContact CG-CD1 3.43Å; M109-L115 HydrophobicContact SD-CD1 4.26Å; E112-L115 PolarHBondContact O-N 3.33Å; D113-L115 PolarHBondContact O-N 3Å; L115-N117 PolarHBondContact O-N 2.85Å; L115-A118 PolarHBondContact O-N 3.23Å; L115-R150 PolarHBondContact O-NH1 3.48Å; L115-R150 PolarHBondContact O-NH2 2.67Å; L115-R150 VanDerWaalsContact O-NH2 3.16Å
116K95.4Very high97.7Very high124 Ų12446.2 Ų46.254%0.53924%0.236SC..THydrogen-bonded Turntrans-55.3-32.3-173.674.3-170.1175.3-171.80114.6D113D113-K116 WeakPolarHBondContact O-CB 3.41Å; D113-K116 WeakPolarHBondContact O-CD 3.42Å; D113-K116 WeakPolarHBondContact O-CG 3.29Å; D113-K116 PolarHBondContact O-N 2.76Å
117N94.6Very high97.7Very high140 Ų14048.1 Ų48.175%0.74924%0.244SC*.THydrogen-bonded Turntrans-99.4-6.4-177.7-65.3-32.6000113.6L115L115-N117 PolarHBondContact O-N 2.85Å
118A97.5Very high97.7Very high3 Ų347.6 Ų47.63%0.02524%0.24CC..  trans-70.9135.6-179.600000110.7T84 D85 I87 L115 R150T84-A118 HydrophobicContact CG2-CB 4.28Å; D85-A118 WeakPolarHBondContact O-CA 3.35Å; I87-A118 HydrophobicContact CD1-CB 4.04Å; I87-A118 HydrophobicContact CG1-CB 4.04Å; L115-A118 PolarHBondContact O-N 3.23Å; A118-R150 PolarHBondContact O-NH1 2.87Å
119I97.3Very high97.7Very high64 Ų6447.7 Ų47.733%0.32824%0.235SC..EExtended strand (participates in β ladder)trans-70.6150.8169.764.7172.3000109.7D85 A86 I87 T151 W171D85-I119 PolarHBondContact O-N 2.8Å; A86-I119 CarbonylContact C-O 3.58Å; A86-I119 WeakPolarHBondContact CA-O 3.37Å; A86-I119 HydrophobicContact CB-CD1 3.89Å; A86-I119 HydrophobicContact CB-CG1 3.38Å; I87-I119 PolarHBondContact N-O 2.68Å; I119-T151 HydrophobicContact CG2-CG2 4.42Å; I119-W171 HydrophobicContact CD1-CZ3 4.31Å
120L98.7Very high97.7Very high0 Ų053.6 Ų53.60%027%0.273CS..EExtended strand (participates in β ladder)trans-117117.9-179.4173.367.2000111.2I87 L106 L110 V122 L147 T151 F152 Q153I87-L120 HydrophobicContact CB-CD1 4.11Å; I87-L120 HydrophobicContact CG2-CD1 4.01Å; L106-L120 HydrophobicContact CD1-CD1 4.33Å; L106-L120 HydrophobicContact CD1-CD2 4.34Å; L110-L120 HydrophobicContact CD1-CD2 3.86Å; L110-L120 HydrophobicContact CD2-CD2 4.39Å; L120-V122 HydrophobicContact CD1-CG2 4.18Å; L120-V122 HydrophobicContact CD2-CG2 4.02Å; L120-V122 HydrophobicContact CG-CG2 3.93Å; L120-L147 HydrophobicContact CD2-CD1 3.71Å; L120-T151 PolarHBondContact N-O 2.84Å; L120-F152 HydrophobicContact CB-CB 3.74Å; L120-F152 HydrophobicContact CD2-CB 4.07Å; L120-F152 HydrophobicContact CG-CB 4.09Å; L120-F152 CarbonylContact O-C 3.55Å; L120-F152 WeakPolarHBondContact O-CA 3.46Å; L120-F152 VanDerWaalsContact O-CB 3.25Å; L120-F152 WeakPolarHBondContact O-CB 3.03Å; L120-Q153 PolarHBondContact O-N 2.89Å
121V98.8Very high97.8Very high8 Ų855.3 Ų55.35%0.04830%0.296CS..EExtended strand (participates in β ladder)trans-101.4120.1166.1177.10000107.9I87 I88 Y89 L123 F155 A168 W171I87-V121 PolarHBondContact O-N 3.01Å; I88-V121 CarbonylContact C-O 3.56Å; I88-V121 WeakPolarHBondContact CA-O 3.37Å; I88-V121 HydrophobicContact CG1-CB 4.27Å; Y89-V121 PolarHBondContact N-O 3.27Å; V121-L123 HydrophobicContact CG1-CD2 3.64Å; V121-L123 HydrophobicContact CG1-CG 4.21Å; V121-F155 HydrophobicContact CG1-CD2 3.94Å; V121-F155 HydrophobicContact CG1-CE2 4.15Å; V121-A168 HydrophobicContact CG1-CB 4.28Å; V121-W171 HydrophobicContact CG2-CE3 3.63Å; V121-W171 HydrophobicContact CG2-CZ3 3.49Å; V121-W171 VanDerWaalsContact CG2-CZ3 3.49Å
122V98.9Very high97.9Very high0 Ų049.8 Ų49.80%027%0.273CS..EExtended strand (participates in β ladder)trans-99124.3171.6-178.90000109.1Y89 V91 L120 L142 L144 Q153 I154 F155Y89-V122 CarbonylContact O-C 3.58Å; Y89-V122 WeakPolarHBondContact O-CA 3.05Å; V91-V122 HydrophobicContact CG2-CG1 4.35Å; L120-V122 HydrophobicContact CD1-CG2 4.18Å; L120-V122 HydrophobicContact CD2-CG2 4.02Å; L120-V122 HydrophobicContact CG-CG2 3.93Å; V122-L142 HydrophobicContact CG1-CD1 3.74Å; V122-L144 HydrophobicContact CB-CD1 4.4Å; V122-L144 HydrophobicContact CG1-CD1 4.5Å; V122-L144 HydrophobicContact CG2-CD1 4.04Å; V122-L144 HydrophobicContact CG2-CD2 4.26Å; V122-Q153 PolarHBondContact N-O 3.06Å; V122-I154 HydrophobicContact CB-CB 4.07Å; V122-I154 HydrophobicContact CB-CD1 4.33Å; V122-I154 HydrophobicContact CB-CG1 3.91Å; V122-I154 HydrophobicContact CG1-CD1 3.88Å; V122-I154 HydrophobicContact CG1-CG1 3.9Å; V122-I154 CarbonylContact O-C 3.6Å; V122-I154 VanDerWaalsContact O-CA 3.27Å; V122-I154 WeakPolarHBondContact O-CA 3.33Å; V122-I154 WeakPolarHBondContact O-CG1 3.45Å; V122-F155 PolarHBondContact O-N 2.93Å
123L98.9Very high98Very high4 Ų448 Ų482%0.02127%0.265CS..EExtended strand (participates in β ladder)trans-103.5104.8174.3-59.7-172.2000109I32 I88 Y89 V90 V91 V121 N125 F155 T157 L165 A168I32-L123 HydrophobicContact CD1-CD1 3.87Å; I32-L123 HydrophobicContact CG2-CD1 4.19Å; I88-L123 HydrophobicContact CG2-CD1 3.53Å; I88-L123 HydrophobicContact CG2-CG 3.81Å; Y89-L123 PolarHBondContact O-N 3.02Å; V90-L123 HydrophobicContact CG2-CB 4.43Å; V90-L123 HydrophobicContact CG2-CD1 4.45Å; V91-L123 PolarHBondContact N-O 3.26Å; V121-L123 HydrophobicContact CG1-CD2 3.64Å; V121-L123 HydrophobicContact CG1-CG 4.21Å; L123-N125 VanDerWaalsContact C-N 3.28Å; L123-N125 PolarHBondContact O-N 3.01Å; L123-F155 HydrophobicContact CD2-CB 3.99Å; L123-F155 HydrophobicContact CD2-CD2 4.32Å; L123-T157 HydrophobicContact CB-CG2 4.35Å; L123-T157 HydrophobicContact CD2-CG2 3.79Å; L123-T157 HydrophobicContact CG-CG2 4.43Å; L123-L165 HydrophobicContact CD1-CD2 4.28Å; L123-A168 HydrophobicContact CD2-CB 3.68Å
124A98.9Very high98Very high0 Ų044.3 Ų44.30%025%0.249CC..EExtended strand (participates in β ladder)trans-73.988.4165.800000107.5S93 Q127 I135 V138 I154 F155 T157S93-A124 VanDerWaalsContact OG-C 3.31Å; A124-Q127 WeakPolarHBondContact O-CG 3.36Å; A124-I135 HydrophobicContact CB-CG1 4.42Å; A124-V138 HydrophobicContact CB-CB 4.18Å; A124-V138 HydrophobicContact CB-CG1 4.11Å; A124-V138 HydrophobicContact CB-CG2 4.05Å; A124-I154 HydrophobicContact CB-CD1 4.33Å; A124-I154 HydrophobicContact CB-CG1 4.49Å; A124-F155 PolarHBondContact N-O 3.44Å; A124-T157 PolarHBondContact O-N 3.2Å; A124-T157 PolarHBondContact O-OG1 3.21Å
125N98.9Very high98Very high2 Ų241.3 Ų41.31%0.01124%0.236CC..EExtended strand (participates in β ladder)trans-88.6164.6-172-171.431.9000112A27 I32 V90 V91 S93 L123 Q127 T157 A159A27-N125 PolarHBondContact O-ND2 3.09Å; I32-N125 HydrophobicContact CD1-CB 4.41Å; V90-N125 HydrophobicContact CG1-CB 3.77Å; V91-N125 PolarHBondContact O-N 3.45Å; S93-N125 WeakPolarHBondContact CB-O 3.49Å; S93-N125 PolarHBondContact N-O 2.95Å; S93-N125 PolarHBondContact OG-N 2.93Å; S93-N125 PolarHBondContact OG-O 3.38Å; L123-N125 VanDerWaalsContact C-N 3.28Å; L123-N125 PolarHBondContact O-N 3.01Å; N125-Q127 VanDerWaalsContact C-N 3.34Å; N125-T157 CarbonylContact C-O 3.44Å; N125-T157 WeakPolarHBondContact CA-O 3.42Å; N125-T157 VanDerWaalsContact CA-OG1 3.27Å; N125-T157 WeakPolarHBondContact CA-OG1 3.49Å; N125-T157 PolarHBondContact OD1-O 3.2Å; N125-A159 PolarHBondContact OD1-N 2.87Å
126K98.7Very high98.1Very high51 Ų5145.7 Ų45.722%0.22226%0.263CS..  trans65.434.1-176.6-46.4-166-167.9171.10113.6G26 D92 D128 I129 T157G26-K126 WeakPolarHBondContact O-CE 3.3Å; G26-K126 PolarHBondContact O-NZ 3.18Å; D92-K126 WeakPolarHBondContact OD1-CD 3.47Å; D92-K126 IonicContact OD1-NZ 2.89Å; D92-K126 VanDerWaalsContact OD2-CE 3.25Å; D92-K126 WeakPolarHBondContact OD2-CE 3.4Å; D92-K126 IonicContact OD2-NZ 3.91Å; D92-K126 PolarHBondContact OD2-NZ 3.19Å; K126-D128 WeakPolarHBondContact CA-OD1 3.3Å; K126-D128 PolarHBondContact O-N 3.06Å; K126-I129 HydrophobicContact CB-CD1 3.82Å; K126-I129 HydrophobicContact CB-CG1 4.12Å; K126-I129 HydrophobicContact CD-CD1 3.85Å; K126-I129 HydrophobicContact CG-CD1 4.42Å; K126-I129 WeakPolarHBondContact O-CB 3.14Å; K126-I129 PolarHBondContact O-N 3.49Å; K126-I129 VanDerWaalsContact O-N 3.09Å; K126-T157 PolarHBondContact N-O 3.24Å; K126-T157 VanDerWaalsContact N-O 3.08Å
127Q98.6Very high98.2Very high42 Ų4242.3 Ų42.320%0.19625%0.25CS..THydrogen-bonded Turntrans-67.5-10175.8-67.1-76.3-54.700112.9S93 A124 N125 I129 L133 K156 T157S93-Q127 PolarHBondContact OG-NE2 3.07Å; A124-Q127 WeakPolarHBondContact O-CG 3.36Å; N125-Q127 VanDerWaalsContact C-N 3.34Å; Q127-I129 VanDerWaalsContact C-N 3.3Å; Q127-L133 PolarHBondContact NE2-O 3.37Å; Q127-K156 HydrophobicContact CG-CB 3.95Å; Q127-K156 HydrophobicContact CG-CG 4.2Å; Q127-T157 WeakPolarHBondContact CB-O 3.24Å; Q127-T157 WeakPolarHBondContact CG-O 3.39Å; Q127-T157 PolarHBondContact N-O 3.25Å
128D98.2Very high98.4Very high48 Ų4835.6 Ų35.626%0.25721%0.214SC..THydrogen-bonded Turntrans-73.9-17.4170.258.1-72.9000113.9K126 P130 S158 V160 K161K126-D128 WeakPolarHBondContact CA-OD1 3.3Å; K126-D128 PolarHBondContact O-N 3.06Å; D128-P130 WeakPolarHBondContact O-CD 3.02Å; D128-S158 VanDerWaalsContact OD1-CB 3.24Å; D128-S158 WeakPolarHBondContact OD1-CB 3.49Å; D128-S158 PolarHBondContact OD1-OG 2.75Å; D128-V160 WeakPolarHBondContact OD2-CG2 3.17Å; D128-K161 HydrophobicContact CB-CD 3.91Å; D128-K161 HydrophobicContact CB-CG 4.39Å
129I98.4Very high98.5Very high66 Ų6638.2 Ų38.234%0.33823%0.226SC..SBendtrans-81.2124.2-177.2-61.2-175.3000110.2A94 K126 Q127 G131 C132A94-I129 HydrophobicContact CB-CB 4.17Å; A94-I129 HydrophobicContact CB-CD1 3.78Å; A94-I129 HydrophobicContact CB-CG2 3.98Å; K126-I129 HydrophobicContact CB-CD1 3.82Å; K126-I129 HydrophobicContact CB-CG1 4.12Å; K126-I129 HydrophobicContact CD-CD1 3.85Å; K126-I129 HydrophobicContact CG-CD1 4.42Å; K126-I129 WeakPolarHBondContact O-CB 3.14Å; K126-I129 PolarHBondContact O-N 3.49Å; K126-I129 VanDerWaalsContact O-N 3.09Å; Q127-I129 VanDerWaalsContact C-N 3.3Å; I129-G131 PolarHBondContact O-N 2.76Å; I129-C132 WeakPolarHBondContact O-CB 3.25Å; I129-C132 PolarHBondContact O-N 2.94Å; I129-C132 PolarHBondContact O-SG 3.48Å
130P97.9Very high98.5Very high125 Ų12542.7 Ų42.781%0.81224%0.239SC*.THydrogen-bonded Turntrans-57.7133.8175.7-25.635.1000112.5D128 C132D128-P130 WeakPolarHBondContact O-CD 3.02Å; P130-C132 VanDerWaalsContact C-N 3.29Å; P130-C132 PolarHBondContact O-N 2.78Å
131G97.8Very high98.5Very high57 Ų5744.2 Ų44.259%0.58825%0.251SS*.THydrogen-bonded Turntrans76.310.5178.300000114.9K96 I129K96-G131 WeakPolarHBondContact CE-O 3.41Å; K96-G131 PolarHBondContact NZ-O 3.02Å; I129-G131 PolarHBondContact O-N 2.76Å
132C98.5Very high98.5Very high29 Ų2944 Ų4420%0.19625%0.25CC..PPolyproline II helixtrans-61163.6168.466.80000112.1S93 A94 I129 P130S93-C132 CarbonylContact O-C 3.54Å; S93-C132 WeakPolarHBondContact O-CA 3.11Å; S93-C132 WeakPolarHBondContact O-CB 3.25Å; A94-C132 HydrophobicContact CB-CB 4.41Å; I129-C132 WeakPolarHBondContact O-CB 3.25Å; I129-C132 PolarHBondContact O-N 2.94Å; I129-C132 PolarHBondContact O-SG 3.48Å; P130-C132 VanDerWaalsContact C-N 3.29Å; P130-C132 PolarHBondContact O-N 2.78Å
133L98.7Very high98.5Very high27 Ų2744.5 Ų44.514%0.14126%0.255CS..PPolyproline II helixtrans-62.2136.3170.9-65.8174.2000109.9S93 K96 V99 Q127 D137 V138S93-L133 WeakPolarHBondContact O-CB 3.46Å; S93-L133 WeakPolarHBondContact O-CG 3.35Å; S93-L133 PolarHBondContact O-N 3.28Å; K96-L133 HydrophobicContact CD-CD2 4.41Å; K96-L133 HydrophobicContact CG-CD1 4.48Å; K96-L133 HydrophobicContact CG-CD2 4.03Å; K96-L133 HydrophobicContact CG-CG 4.01Å; V99-L133 HydrophobicContact CB-CD1 4.18Å; V99-L133 HydrophobicContact CG1-CD1 4.33Å; V99-L133 HydrophobicContact CG2-CD1 4.06Å; Q127-L133 PolarHBondContact NE2-O 3.37Å; L133-D137 HydrophobicContact CB-CB 4.08Å; L133-D137 HydrophobicContact CD2-CB 3.99Å; L133-V138 HydrophobicContact CB-CG2 3.8Å; L133-V138 HydrophobicContact CD1-CG2 4.32Å
134S98.4Very high98.4Very high42 Ų4244.3 Ų44.329%0.29425%0.254SS..PPolyproline II helixtrans-67.8160.1169.972.90000110.4T136 D137 V138S134-T136 PolarHBondContact O-N 2.64Å; S134-T136 VanDerWaalsContact O-N 3.16Å; S134-T136 PolarHBondContact OG-N 2.85Å; S134-D137 WeakPolarHBondContact CB-OD2 3.39Å; S134-D137 PolarHBondContact N-OD2 3.08Å; S134-D137 WeakPolarHBondContact O-CB 3.37Å; S134-D137 PolarHBondContact O-N 3.2Å; S134-D137 PolarHBondContact OG-N 3.24Å; S134-D137 VanDerWaalsContact OG-N 3.15Å; S134-D137 PolarHBondContact OG-OD2 2.73Å; S134-V138 PolarHBondContact O-N 2.9Å
135I98Very high98.2Very high36 Ų3650 Ų5019%0.18528%0.28CS..Hα-helixtrans-53.2-35.8172.5-164.4178.2000112.4A124 V138 H139 I154 K156A124-I135 HydrophobicContact CB-CG1 4.42Å; I135-V138 PolarHBondContact O-N 3.48Å; I135-H139 VanDerWaalsContact O-CB 3.32Å; I135-H139 WeakPolarHBondContact O-CB 3.44Å; I135-H139 PolarHBondContact O-N 3.4Å; I135-I154 HydrophobicContact CD1-CB 4.32Å; I135-I154 HydrophobicContact CD1-CD1 4.46Å; I135-I154 HydrophobicContact CD1-CG1 3.93Å; I135-I154 HydrophobicContact CD1-CG2 3.85Å; I135-I154 HydrophobicContact CG1-CB 4.46Å; I135-I154 HydrophobicContact CG1-CD1 3.71Å; I135-I154 HydrophobicContact CG1-CG1 3.71Å; I135-I154 HydrophobicContact CG1-CG2 4.05Å; I135-K156 HydrophobicContact CB-CD 4.39Å; I135-K156 HydrophobicContact CB-CG 3.73Å; I135-K156 HydrophobicContact CD1-CG 3.99Å; I135-K156 HydrophobicContact CG1-CG 4.24Å; I135-K156 HydrophobicContact CG2-CD 4.44Å; I135-K156 HydrophobicContact CG2-CG 4.23Å
136T98.5Very high98Very high92 Ų9253.4 Ų53.456%0.56431%0.309SS*.Hα-helixtrans-68.1-39177.8-51.10000111.3S134 R140S134-T136 PolarHBondContact O-N 2.64Å; S134-T136 VanDerWaalsContact O-N 3.16Å; S134-T136 PolarHBondContact OG-N 2.85Å; T136-R140 WeakPolarHBondContact O-CB 3.27Å; T136-R140 PolarHBondContact O-N 3.49Å
137D98.7Very high97.8Very high52 Ų5253 Ų5328%0.27831%0.309SS..Hα-helixtrans-67.3-42174.9-61.1-45.5000111.2L133 S134 R140 A141L133-D137 HydrophobicContact CB-CB 4.08Å; L133-D137 HydrophobicContact CD2-CB 3.99Å; S134-D137 WeakPolarHBondContact CB-OD2 3.39Å; S134-D137 PolarHBondContact N-OD2 3.08Å; S134-D137 WeakPolarHBondContact O-CB 3.37Å; S134-D137 PolarHBondContact O-N 3.2Å; S134-D137 PolarHBondContact OG-N 3.24Å; S134-D137 VanDerWaalsContact OG-N 3.15Å; S134-D137 PolarHBondContact OG-OD2 2.73Å; D137-R140 PolarHBondContact O-N 2.81Å; D137-R140 IonicContact OD1-CZ 2.58Å; D137-R140 IonicContact OD1-NH2 3.76Å; D137-R140 PolarHBondContact OD1-NH2 3.34Å; D137-A141 WeakPolarHBondContact O-CB 3.11Å; D137-A141 PolarHBondContact O-N 3.35Å
138V98.8Very high97.3Very high0 Ų062 Ų620%034%0.341CS..Hα-helixtrans-62.4-48.2174.6176.50000110.9V91 A124 L133 S134 I135 R140 A141 L142 I154V91-V138 HydrophobicContact CB-CG1 4.14Å; V91-V138 HydrophobicContact CG1-CG1 4Å; V91-V138 HydrophobicContact CG2-CG1 4.45Å; A124-V138 HydrophobicContact CB-CB 4.18Å; A124-V138 HydrophobicContact CB-CG1 4.11Å; A124-V138 HydrophobicContact CB-CG2 4.05Å; L133-V138 HydrophobicContact CB-CG2 3.8Å; L133-V138 HydrophobicContact CD1-CG2 4.32Å; S134-V138 PolarHBondContact O-N 2.9Å; I135-V138 PolarHBondContact O-N 3.48Å; V138-R140 VanDerWaalsContact C-N 3.32Å; V138-R140 PolarHBondContact O-N 2.9Å; V138-A141 PolarHBondContact O-N 3.07Å; V138-L142 HydrophobicContact CG1-CD1 3.75Å; V138-L142 HydrophobicContact CG1-CG 4.19Å; V138-L142 WeakPolarHBondContact O-CB 3.12Å; V138-L142 VanDerWaalsContact O-CG 3.29Å; V138-L142 WeakPolarHBondContact O-CG 3.42Å; V138-L142 PolarHBondContact O-N 3.38Å; V138-I154 HydrophobicContact CB-CD1 4.24Å; V138-I154 HydrophobicContact CG1-CD1 3.88Å
139H98.7Very high96.8Very high58 Ų5866 Ų6627%0.26937%0.372SS..Hα-helixtrans-52.9-50.5177.5178.5-64.1000111.5I135 G143 L144 E145 I154I135-H139 VanDerWaalsContact O-CB 3.32Å; I135-H139 WeakPolarHBondContact O-CB 3.44Å; I135-H139 PolarHBondContact O-N 3.4Å; H139-G143 PolarHBondContact O-N 2.89Å; H139-L144 HydrophobicContact CB-CD1 4.42Å; H139-L144 PolarHBondContact O-N 3.23Å; H139-L144 VanDerWaalsContact O-N 3.09Å; H139-E145 IonicContact CE1-OE2 3.87Å; H139-E145 IonicContact ND1-OE2 2.75Å; H139-I154 HydrophobicContact CB-CD1 4.34Å
140R98.5Very high96.6Very high158 Ų15864.4 Ų64.460%0.59636%0.362SS*.Hα-helixtrans-68.5-42.2178.9173.1171.545.8-174.8-6112.5T136 D137 V138 L142 G143T136-R140 WeakPolarHBondContact O-CB 3.27Å; T136-R140 PolarHBondContact O-N 3.49Å; D137-R140 PolarHBondContact O-N 2.81Å; D137-R140 IonicContact OD1-CZ 2.58Å; D137-R140 IonicContact OD1-NH2 3.76Å; D137-R140 PolarHBondContact OD1-NH2 3.34Å; V138-R140 VanDerWaalsContact C-N 3.32Å; V138-R140 PolarHBondContact O-N 2.9Å; R140-L142 VanDerWaalsContact C-N 3.27Å; R140-L142 PolarHBondContact O-N 3.37Å; R140-G143 PolarHBondContact O-N 2.86Å
141A98.6Very high96.5Very high32 Ų3262.8 Ų62.826%0.26435%0.35SS..Hα-helixtrans-66.6-30.3-178.200000112.5V99 R103 D137 V138V99-A141 HydrophobicContact CG1-CB 4.1Å; V99-A141 HydrophobicContact CG2-CB 3.69Å; R103-A141 WeakPolarHBondContact CD-O 3.36Å; D137-A141 WeakPolarHBondContact O-CB 3.11Å; D137-A141 PolarHBondContact O-N 3.35Å; V138-A141 PolarHBondContact O-N 3.07Å
142L98.7Very high96.5Very high3 Ų362.4 Ų62.42%0.01633%0.333CS..Hα-helixtrans-82.2-14.3172.8-64.7178.6000113.3V91 R103 L106 V122 V138 R140 L144V91-L142 HydrophobicContact CG2-CD1 3.72Å; V91-L142 HydrophobicContact CG2-CD2 4.15Å; V91-L142 HydrophobicContact CG2-CG 4.44Å; R103-L142 HydrophobicContact CB-CD2 4.15Å; R103-L142 WeakPolarHBondContact CG-O 3.28Å; L106-L142 HydrophobicContact CD2-CB 4.08Å; L106-L142 HydrophobicContact CD2-CD1 4.05Å; L106-L142 HydrophobicContact CD2-CD2 4.22Å; L106-L142 HydrophobicContact CD2-CG 4.34Å; V122-L142 HydrophobicContact CG1-CD1 3.74Å; V138-L142 HydrophobicContact CG1-CD1 3.75Å; V138-L142 HydrophobicContact CG1-CG 4.19Å; V138-L142 WeakPolarHBondContact O-CB 3.12Å; V138-L142 VanDerWaalsContact O-CG 3.29Å; V138-L142 WeakPolarHBondContact O-CG 3.42Å; V138-L142 PolarHBondContact O-N 3.38Å; R140-L142 VanDerWaalsContact C-N 3.27Å; R140-L142 PolarHBondContact O-N 3.37Å; L142-L144 HydrophobicContact CB-CD2 3.77Å; L142-L144 HydrophobicContact CB-CG 3.87Å; L142-L144 HydrophobicContact CD1-CD1 4.4Å; L142-L144 HydrophobicContact CD1-CD2 4.2Å; L142-L144 HydrophobicContact CD1-CG 4.41Å
143G97.8Very high96.5Very high10 Ų1064.8 Ų64.810%0.10334%0.341CS..THydrogen-bonded Turntrans69.234.8-176.900000113H139 R140 E145 A146H139-G143 PolarHBondContact O-N 2.89Å; R140-G143 PolarHBondContact O-N 2.86Å; G143-E145 WeakPolarHBondContact CA-OE1 3.09Å; G143-E145 WeakPolarHBondContact CA-OE2 3.32Å; G143-E145 PolarHBondContact O-N 2.83Å; G143-A146 WeakPolarHBondContact O-CB 3.38Å; G143-A146 PolarHBondContact O-N 3.34Å; G143-A146 VanDerWaalsContact O-N 3.07Å
144L97.8Very high96.5Very high1 Ų164.2 Ų64.21%0.00534%0.338CS..G310 helixtrans-64-22.5-175.2-59.3-174.3000112.6L106 V122 H139 L142 A146 L147 F152 I154L106-L144 HydrophobicContact CD2-CD2 3.8Å; V122-L144 HydrophobicContact CB-CD1 4.4Å; V122-L144 HydrophobicContact CG1-CD1 4.5Å; V122-L144 HydrophobicContact CG2-CD1 4.04Å; V122-L144 HydrophobicContact CG2-CD2 4.26Å; H139-L144 HydrophobicContact CB-CD1 4.42Å; H139-L144 PolarHBondContact O-N 3.23Å; H139-L144 VanDerWaalsContact O-N 3.09Å; L142-L144 HydrophobicContact CB-CD2 3.77Å; L142-L144 HydrophobicContact CB-CG 3.87Å; L142-L144 HydrophobicContact CD1-CD1 4.4Å; L142-L144 HydrophobicContact CD1-CD2 4.2Å; L142-L144 HydrophobicContact CD1-CG 4.41Å; L144-A146 PolarHBondContact O-N 2.92Å; L144-A146 VanDerWaalsContact O-N 3.12Å; L144-L147 HydrophobicContact CD2-CD1 3.9Å; L144-L147 WeakPolarHBondContact O-CB 3.38Å; L144-L147 PolarHBondContact O-N 3.4Å; L144-F152 HydrophobicContact CB-CE2 3.74Å; L144-F152 HydrophobicContact CB-CZ 3.82Å; L144-F152 HydrophobicContact CD1-CD2 4.32Å; L144-F152 HydrophobicContact CD1-CE2 3.87Å; L144-F152 HydrophobicContact CG-CE2 4.33Å; L144-F152 WeakPolarHBondContact O-CZ 3.48Å; L144-I154 HydrophobicContact CD1-CB 4.32Å; L144-I154 HydrophobicContact CD1-CD1 4.06Å
145E94.6Very high96.5Very high118 Ų11863.6 Ų63.655%0.55133%0.33SS*.G310 helixtrans-59.8-19.9173.466.8-77.2174.500113.9H139 G143 L147H139-E145 IonicContact CE1-OE2 3.87Å; H139-E145 IonicContact ND1-OE2 2.75Å; G143-E145 WeakPolarHBondContact CA-OE1 3.09Å; G143-E145 WeakPolarHBondContact CA-OE2 3.32Å; G143-E145 PolarHBondContact O-N 2.83Å; E145-L147 VanDerWaalsContact C-N 3.32Å
146A95Very high96.6Very high74 Ų7467.4 Ų67.461%0.61235%0.345SS*.G310 helixtrans-78-16.6176.300000113G143 L144 R148G143-A146 WeakPolarHBondContact O-CB 3.38Å; G143-A146 PolarHBondContact O-N 3.34Å; G143-A146 VanDerWaalsContact O-N 3.07Å; L144-A146 PolarHBondContact O-N 2.92Å; L144-A146 VanDerWaalsContact O-N 3.12Å; A146-R148 PolarHBondContact O-N 2.78Å
147L93.5Very high96.6Very high42 Ų4263.1 Ų63.122%0.2232%0.318CS..  trans-78.879.3-178.1-58.2-179000111L110 L120 L144 E145 F152L110-L147 HydrophobicContact CD1-CD1 4.09Å; L110-L147 HydrophobicContact CD1-CD2 3.87Å; L120-L147 HydrophobicContact CD2-CD1 3.71Å; L144-L147 HydrophobicContact CD2-CD1 3.9Å; L144-L147 WeakPolarHBondContact O-CB 3.38Å; L144-L147 PolarHBondContact O-N 3.4Å; E145-L147 VanDerWaalsContact C-N 3.32Å; L147-F152 HydrophobicContact CB-CD1 3.86Å; L147-F152 HydrophobicContact CB-CE1 3.73Å; L147-F152 HydrophobicContact CD1-CD1 4.05Å; L147-F152 HydrophobicContact CD1-CE1 4.31Å; L147-F152 HydrophobicContact CD1-CG 4.23Å
148R88.1Confident96.6Very high233 Ų23360.6 Ų60.688%0.87931%0.305SS*.  trans-82.5-31.5-175.4-65.5-175.3-179.8-179.80.7115A146A146-R148 PolarHBondContact O-N 2.78Å
149S88.5Confident96.6Very high130 Ų13060.8 Ų60.891%0.90931%0.307SS*.SBendtrans-105.7-0.1-17257.40000114
150R94.3Very high96.5Very high34 Ų3461.7 Ų61.713%0.12832%0.316CS..SBendtrans-111.5131.5-174.9-177177.7-65.5-84.18.8110L110 L115 A118 F152L110-R150 PolarHBondContact O-NH2 2.6Å; L115-R150 PolarHBondContact O-NH1 3.48Å; L115-R150 PolarHBondContact O-NH2 2.67Å; L115-R150 VanDerWaalsContact O-NH2 3.16Å; A118-R150 PolarHBondContact O-NH1 2.87Å; R150-F152 PolarHBondContact O-N 3.47Å
151T95.7Very high96.4Very high91 Ų9159.5 Ų59.556%0.55831%0.311SS*.  trans-69.1116.2169.2-54.70000109I119 L120 W171I119-T151 HydrophobicContact CG2-CG2 4.42Å; L120-T151 PolarHBondContact N-O 2.84Å; T151-W171 HydrophobicContact CG2-CH2 4Å; T151-W171 HydrophobicContact CG2-CZ2 3.96Å
152F98.2Very high96.3Very high49 Ų4958.8 Ų58.822%0.21531%0.307CS..EExtended strand (participates in β ladder)trans-143.1158.7175.782.3-87.3000112.2L120 L144 L147 R150L120-F152 HydrophobicContact CB-CB 3.74Å; L120-F152 HydrophobicContact CD2-CB 4.07Å; L120-F152 HydrophobicContact CG-CB 4.09Å; L120-F152 CarbonylContact O-C 3.55Å; L120-F152 WeakPolarHBondContact O-CA 3.46Å; L120-F152 VanDerWaalsContact O-CB 3.25Å; L120-F152 WeakPolarHBondContact O-CB 3.03Å; L144-F152 HydrophobicContact CB-CE2 3.74Å; L144-F152 HydrophobicContact CB-CZ 3.82Å; L144-F152 HydrophobicContact CD1-CD2 4.32Å; L144-F152 HydrophobicContact CD1-CE2 3.87Å; L144-F152 HydrophobicContact CG-CE2 4.33Å; L144-F152 WeakPolarHBondContact O-CZ 3.48Å; L147-F152 HydrophobicContact CB-CD1 3.86Å; L147-F152 HydrophobicContact CB-CE1 3.73Å; L147-F152 HydrophobicContact CD1-CD1 4.05Å; L147-F152 HydrophobicContact CD1-CE1 4.31Å; L147-F152 HydrophobicContact CD1-CG 4.23Å; R150-F152 PolarHBondContact O-N 3.47Å
153Q98.3Very high96.2Very high78 Ų7863.7 Ų63.736%0.36433%0.33SS..EExtended strand (participates in β ladder)trans-144.2151.4168.6-178.762.2-57.400110.3L120 V122 F155 W171L120-Q153 PolarHBondContact O-N 2.89Å; V122-Q153 PolarHBondContact N-O 3.06Å; Q153-F155 HydrophobicContact CB-CE2 3.8Å; Q153-F155 HydrophobicContact CB-CZ 4.16Å; Q153-F155 HydrophobicContact CG-CD2 4.08Å; Q153-F155 HydrophobicContact CG-CE1 4.12Å; Q153-F155 HydrophobicContact CG-CE2 3.35Å; Q153-F155 HydrophobicContact CG-CZ 3.36Å; Q153-W171 HydrophobicContact CB-CD2 3.76Å; Q153-W171 VanDerWaalsContact CB-CE2 3.44Å; Q153-W171 HydrophobicContact CB-CE3 4.08Å; Q153-W171 HydrophobicContact CB-CG 4.43Å; Q153-W171 HydrophobicContact CB-CH2 3.79Å; Q153-W171 HydrophobicContact CB-CZ2 3.47Å; Q153-W171 VanDerWaalsContact CB-CZ2 3.47Å; Q153-W171 HydrophobicContact CB-CZ3 4.09Å; Q153-W171 HydrophobicContact CG-CD2 4.34Å
154I98.7Very high96.2Very high16 Ų1663.8 Ų63.88%0.08233%0.331CS..EExtended strand (participates in β ladder)trans-115.1137.9174.8-173.9171.8000110.9V122 A124 I135 V138 H139 L144V122-I154 HydrophobicContact CB-CB 4.07Å; V122-I154 HydrophobicContact CB-CD1 4.33Å; V122-I154 HydrophobicContact CB-CG1 3.91Å; V122-I154 HydrophobicContact CG1-CD1 3.88Å; V122-I154 HydrophobicContact CG1-CG1 3.9Å; V122-I154 CarbonylContact O-C 3.6Å; V122-I154 VanDerWaalsContact O-CA 3.27Å; V122-I154 WeakPolarHBondContact O-CA 3.33Å; V122-I154 WeakPolarHBondContact O-CG1 3.45Å; A124-I154 HydrophobicContact CB-CD1 4.33Å; A124-I154 HydrophobicContact CB-CG1 4.49Å; I135-I154 HydrophobicContact CD1-CB 4.32Å; I135-I154 HydrophobicContact CD1-CD1 4.46Å; I135-I154 HydrophobicContact CD1-CG1 3.93Å; I135-I154 HydrophobicContact CD1-CG2 3.85Å; I135-I154 HydrophobicContact CG1-CB 4.46Å; I135-I154 HydrophobicContact CG1-CD1 3.71Å; I135-I154 HydrophobicContact CG1-CG1 3.71Å; I135-I154 HydrophobicContact CG1-CG2 4.05Å; V138-I154 HydrophobicContact CB-CD1 4.24Å; V138-I154 HydrophobicContact CG1-CD1 3.88Å; H139-I154 HydrophobicContact CB-CD1 4.34Å; L144-I154 HydrophobicContact CD1-CB 4.32Å; L144-I154 HydrophobicContact CD1-CD1 4.06Å
155F98.8Very high96.2Very high29 Ų2964 Ų6413%0.12733%0.332CS..EExtended strand (participates in β ladder)trans-124.6142.9178.7-62.2-90.8000111.3V121 V122 L123 A124 Q153 T157 E167 A168 W171V121-F155 HydrophobicContact CG1-CD2 3.94Å; V121-F155 HydrophobicContact CG1-CE2 4.15Å; V122-F155 PolarHBondContact O-N 2.93Å; L123-F155 HydrophobicContact CD2-CB 3.99Å; L123-F155 HydrophobicContact CD2-CD2 4.32Å; A124-F155 PolarHBondContact N-O 3.44Å; Q153-F155 HydrophobicContact CB-CE2 3.8Å; Q153-F155 HydrophobicContact CB-CZ 4.16Å; Q153-F155 HydrophobicContact CG-CD2 4.08Å; Q153-F155 HydrophobicContact CG-CE1 4.12Å; Q153-F155 HydrophobicContact CG-CE2 3.35Å; Q153-F155 HydrophobicContact CG-CZ 3.36Å; F155-T157 HydrophobicContact CB-CG2 4.26Å; F155-E167 HydrophobicContact CD1-CB 4.21Å; F155-E167 HydrophobicContact CE1-CB 4.24Å; F155-E167 WeakPolarHBondContact CE1-O 3.48Å; F155-A168 HydrophobicContact CB-CB 4.14Å; F155-A168 HydrophobicContact CD1-CB 4.22Å; F155-A168 HydrophobicContact CD2-CB 3.63Å; F155-A168 HydrophobicContact CE2-CB 4.03Å; F155-A168 HydrophobicContact CG-CB 3.73Å; F155-A168 HydrophobicContact CZ-CB 4.49Å; F155-W171 HydrophobicContact CE2-CB 4.25Å; F155-W171 HydrophobicContact CE2-CD2 4.4Å; F155-W171 HydrophobicContact CE2-CE3 4.42Å; F155-W171 HydrophobicContact CE2-CG 4.35Å; F155-W171 HydrophobicContact CZ-CB 3.57Å; F155-W171 HydrophobicContact CZ-CD2 4.32Å; F155-W171 AromaticContact CZ-CG 3.82Å; F155-W171 HydrophobicContact CZ-CG 3.82Å
156K98.7Very high96.2Very high116 Ų11662.8 Ų62.850%0.50433%0.329SS..EExtended strand (participates in β ladder)trans-75.1129.3164.5-73-175.7-173.8178.50107.9Q127 I135 G164Q127-K156 HydrophobicContact CG-CB 3.95Å; Q127-K156 HydrophobicContact CG-CG 4.2Å; I135-K156 HydrophobicContact CB-CD 4.39Å; I135-K156 HydrophobicContact CB-CG 3.73Å; I135-K156 HydrophobicContact CD1-CG 3.99Å; I135-K156 HydrophobicContact CG1-CG 4.24Å; I135-K156 HydrophobicContact CG2-CD 4.44Å; I135-K156 HydrophobicContact CG2-CG 4.23Å; K156-G164 WeakPolarHBondContact O-CA 3.46Å
157T98.8Very high96.3Very high1 Ų164.6 Ų64.61%0.00633%0.325CS..  trans-137.5152.8178.654.40000112.8L123 A124 N125 K126 Q127 F155 E163 L165L123-T157 HydrophobicContact CB-CG2 4.35Å; L123-T157 HydrophobicContact CD2-CG2 3.79Å; L123-T157 HydrophobicContact CG-CG2 4.43Å; A124-T157 PolarHBondContact O-N 3.2Å; A124-T157 PolarHBondContact O-OG1 3.21Å; N125-T157 CarbonylContact C-O 3.44Å; N125-T157 WeakPolarHBondContact CA-O 3.42Å; N125-T157 VanDerWaalsContact CA-OG1 3.27Å; N125-T157 WeakPolarHBondContact CA-OG1 3.49Å; N125-T157 PolarHBondContact OD1-O 3.2Å; K126-T157 PolarHBondContact N-O 3.24Å; K126-T157 VanDerWaalsContact N-O 3.08Å; Q127-T157 WeakPolarHBondContact CB-O 3.24Å; Q127-T157 WeakPolarHBondContact CG-O 3.39Å; Q127-T157 PolarHBondContact N-O 3.25Å; F155-T157 HydrophobicContact CB-CG2 4.26Å; T157-E163 VanDerWaalsContact CA-O 3.25Å; T157-E163 WeakPolarHBondContact CA-O 3.46Å; T157-L165 HydrophobicContact CG2-CD2 3.84Å
158S98.6Very high96.5Very high0 Ų062.9 Ų62.90%032%0.317CS..BIsolated β-bridgetrans-129.5104.8162.1175.10000108.2D128 V160 K161 G162 E163D128-S158 VanDerWaalsContact OD1-CB 3.24Å; D128-S158 WeakPolarHBondContact OD1-CB 3.49Å; D128-S158 PolarHBondContact OD1-OG 2.75Å; S158-V160 PolarHBondContact O-N 2.6Å; S158-V160 WeakPolarHBondContact OG-CG2 3.43Å; S158-K161 PolarHBondContact O-N 3.35Å; S158-K161 PolarHBondContact OG-N 3.09Å; S158-G162 WeakPolarHBondContact O-CA 3.41Å; S158-G162 PolarHBondContact O-N 3.02Å; S158-E163 PolarHBondContact N-O 3.18Å; S158-E163 PolarHBondContact O-N 3.21Å
159A98Very high96.8Very high4 Ų452.9 Ų52.93%0.03328%0.28CS..THydrogen-bonded Turntrans-57-34.4177.700000112.6T31 I32 N125T31-A159 HydrophobicContact CG2-CB 3.85Å; I32-A159 HydrophobicContact CD1-CB 4.38Å; I32-A159 HydrophobicContact CG1-CB 3.48Å; I32-A159 VanDerWaalsContact CG1-CB 3.48Å; N125-A159 PolarHBondContact OD1-N 2.87Å
160V97.1Very high97.1Very high76 Ų7651 Ų5146%0.46126%0.26SS..THydrogen-bonded Turntrans-77.2-30.5-178.2-63.90000112.9V41 D128 S158V41-V160 HydrophobicContact CG2-CB 4.43Å; V41-V160 VanDerWaalsContact CG2-O 3.3Å; V41-V160 WeakPolarHBondContact CG2-O 3.41Å; D128-V160 WeakPolarHBondContact OD2-CG2 3.17Å; S158-V160 PolarHBondContact O-N 2.6Å; S158-V160 WeakPolarHBondContact OG-CG2 3.43Å
161K96.5Very high97Very high112 Ų11255.2 Ų55.249%0.48728%0.276SS..THydrogen-bonded Turntrans-92.1-19174.6-62.4-174178174.60113.3R35 D128 S158 E163R35-K161 PolarHBondContact NH2-O 3.19Å; D128-K161 HydrophobicContact CB-CD 3.91Å; D128-K161 HydrophobicContact CB-CG 4.39Å; S158-K161 PolarHBondContact O-N 3.35Å; S158-K161 PolarHBondContact OG-N 3.09Å; K161-E163 VanDerWaalsContact C-N 3.25Å; K161-E163 HydrophobicContact CB-CG 3.85Å; K161-E163 WeakPolarHBondContact CD-OE1 3.44Å
162G95.9Very high97.1Very high18 Ų1853.5 Ų53.519%0.18626%0.262CS..THydrogen-bonded Turntrans79.21.6-171.400000114.4S158S158-G162 WeakPolarHBondContact O-CA 3.41Å; S158-G162 PolarHBondContact O-N 3.02Å
163E97.8Very high97Very high106 Ų10653.7 Ų53.750%0.49527%0.265SS..BIsolated β-bridgetrans-66.5137-177.7-66.1169.7178.500111T157 S158 K161 L165T157-E163 VanDerWaalsContact CA-O 3.25Å; T157-E163 WeakPolarHBondContact CA-O 3.46Å; S158-E163 PolarHBondContact N-O 3.18Å; S158-E163 PolarHBondContact O-N 3.21Å; K161-E163 VanDerWaalsContact C-N 3.25Å; K161-E163 HydrophobicContact CB-CG 3.85Å; K161-E163 WeakPolarHBondContact CD-OE1 3.44Å; E163-L165 PolarHBondContact O-N 2.75Å
164G98Very high97Very high12 Ų1252.3 Ų52.312%0.12426%0.259CS..THydrogen-bonded Turntrans79.1-7.6174.500000115.6K156 E167 A168K156-G164 WeakPolarHBondContact O-CA 3.46Å; G164-E167 WeakPolarHBondContact CA-OE2 3.33Å; G164-E167 PolarHBondContact N-OE2 3.16Å; G164-A168 WeakPolarHBondContact O-CB 3.48Å; G164-A168 PolarHBondContact O-N 2.75Å
165L96.9Very high96.9Very high5 Ų554.5 Ų54.53%0.02627%0.27CS..Hα-helixtrans-74.9-42.7-177.1-64.8-175.9000111.7I32 R35 L36 L123 T157 E163 E167 A168 M169I32-L165 HydrophobicContact CG1-CD2 4.22Å; I32-L165 HydrophobicContact CG2-CD2 3.88Å; R35-L165 HydrophobicContact CB-CD1 3.95Å; R35-L165 HydrophobicContact CG-CD1 3.56Å; L36-L165 HydrophobicContact CD2-CB 4.08Å; L123-L165 HydrophobicContact CD1-CD2 4.28Å; T157-L165 HydrophobicContact CG2-CD2 3.84Å; E163-L165 PolarHBondContact O-N 2.75Å; L165-E167 VanDerWaalsContact C-N 3.33Å; L165-E167 PolarHBondContact O-N 2.86Å; L165-A168 PolarHBondContact O-N 2.64Å; L165-M169 VanDerWaalsContact O-CG 3.3Å; L165-M169 WeakPolarHBondContact O-CG 3.36Å; L165-M169 PolarHBondContact O-N 3.44Å
166D95.2Very high96.8Very high93 Ų9356.1 Ų56.150%0.49728%0.278SS..Hα-helixtrans-64.8-40.5178.7-68.3-22.7000110.8Y57 A168 M169 D170Y57-D166 PolarHBondContact OH-O 3.22Å; D166-A168 VanDerWaalsContact C-N 3.3Å; D166-A168 PolarHBondContact O-N 3.15Å; D166-M169 PolarHBondContact O-N 3.25Å; D166-D170 VanDerWaalsContact O-CB 3.3Å; D166-D170 WeakPolarHBondContact O-CB 3.41Å; D166-D170 VanDerWaalsContact O-CG 3.29Å; D166-D170 PolarHBondContact O-N 2.99Å
167E97.1Very high96.6Very high111 Ų11152.1 Ų52.152%0.51926%0.263SS..Hα-helixtrans-63-36.7175.4-62.889.9155.900112.4F155 G164 L165 W171F155-E167 HydrophobicContact CD1-CB 4.21Å; F155-E167 HydrophobicContact CE1-CB 4.24Å; F155-E167 WeakPolarHBondContact CE1-O 3.48Å; G164-E167 WeakPolarHBondContact CA-OE2 3.33Å; G164-E167 PolarHBondContact N-OE2 3.16Å; L165-E167 VanDerWaalsContact C-N 3.33Å; L165-E167 PolarHBondContact O-N 2.86Å; E167-W171 PolarHBondContact O-N 3.49Å
168A97.2Very high96.5Very high6 Ų655.7 Ų55.75%0.0528%0.282CS..Hα-helixtrans-72-33.9176.500000112.8V121 L123 F155 G164 L165 D166V121-A168 HydrophobicContact CG1-CB 4.28Å; L123-A168 HydrophobicContact CD2-CB 3.68Å; F155-A168 HydrophobicContact CB-CB 4.14Å; F155-A168 HydrophobicContact CD1-CB 4.22Å; F155-A168 HydrophobicContact CD2-CB 3.63Å; F155-A168 HydrophobicContact CE2-CB 4.03Å; F155-A168 HydrophobicContact CG-CB 3.73Å; F155-A168 HydrophobicContact CZ-CB 4.49Å; G164-A168 WeakPolarHBondContact O-CB 3.48Å; G164-A168 PolarHBondContact O-N 2.75Å; L165-A168 PolarHBondContact O-N 2.64Å; D166-A168 VanDerWaalsContact C-N 3.3Å; D166-A168 PolarHBondContact O-N 3.15Å
169M94.2Very high96.3Very high23 Ų2360 Ų6011%0.11330%0.303CS..Hα-helixtrans-80.4-23.3177.3-66.1-56.5-59.900113.2L36 Y57 F62 I88 L165 D166L36-M169 HydrophobicContact CD1-CG 4.25Å; L36-M169 HydrophobicContact CD1-SD 3.78Å; L36-M169 HydrophobicContact CD2-CG 3.62Å; L36-M169 HydrophobicContact CD2-SD 4.28Å; Y57-M169 HydrophobicContact CD1-CB 3.88Å; Y57-M169 HydrophobicContact CD2-CB 4.24Å; Y57-M169 HydrophobicContact CE1-CB 3.64Å; Y57-M169 HydrophobicContact CE2-CB 4.04Å; Y57-M169 HydrophobicContact CG-CB 4.17Å; F62-M169 HydrophobicContact CD2-CE 3.62Å; F62-M169 HydrophobicContact CE2-CE 3.22Å; F62-M169 HydrophobicContact CG-CE 4.49Å; F62-M169 HydrophobicContact CZ-CE 3.87Å; I88-M169 HydrophobicContact CD1-SD 4.41Å; L165-M169 VanDerWaalsContact O-CG 3.3Å; L165-M169 WeakPolarHBondContact O-CG 3.36Å; L165-M169 PolarHBondContact O-N 3.44Å; D166-M169 PolarHBondContact O-N 3.25Å
170D94.5Very high96.2Very high92 Ų9264.7 Ų64.749%0.49233%0.326SS..Hα-helixtrans-75.1-25.1175.8-84.73.1000113.7Y57 K58 D166Y57-D170 WeakPolarHBondContact CE1-OD1 2.96Å; Y57-D170 VanDerWaalsContact CZ-OD1 3.25Å; Y57-D170 PolarHBondContact OH-OD1 3.41Å; K58-D170 VanDerWaalsContact CE-OD1 3.27Å; K58-D170 WeakPolarHBondContact CE-OD1 3.32Å; K58-D170 IonicContact NZ-OD1 2.64Å; K58-D170 PolarHBondContact NZ-OD1 3.16Å; K58-D170 IonicContact NZ-OD2 3.7Å; K58-D170 PolarHBondContact NZ-OD2 2.73Å; D166-D170 VanDerWaalsContact O-CB 3.3Å; D166-D170 WeakPolarHBondContact O-CB 3.41Å; D166-D170 VanDerWaalsContact O-CG 3.29Å; D166-D170 PolarHBondContact O-N 2.99Å
171W93.7Very high96.1Very high122 Ų12263.6 Ų63.646%0.46231%0.314SS..  trans-81.40178.4179.883.8000112.1I119 V121 T151 Q153 F155 E167I119-W171 HydrophobicContact CD1-CZ3 4.31Å; V121-W171 HydrophobicContact CG2-CE3 3.63Å; V121-W171 HydrophobicContact CG2-CZ3 3.49Å; V121-W171 VanDerWaalsContact CG2-CZ3 3.49Å; T151-W171 HydrophobicContact CG2-CH2 4Å; T151-W171 HydrophobicContact CG2-CZ2 3.96Å; Q153-W171 HydrophobicContact CB-CD2 3.76Å; Q153-W171 VanDerWaalsContact CB-CE2 3.44Å; Q153-W171 HydrophobicContact CB-CE3 4.08Å; Q153-W171 HydrophobicContact CB-CG 4.43Å; Q153-W171 HydrophobicContact CB-CH2 3.79Å; Q153-W171 HydrophobicContact CB-CZ2 3.47Å; Q153-W171 VanDerWaalsContact CB-CZ2 3.47Å; Q153-W171 HydrophobicContact CB-CZ3 4.09Å; Q153-W171 HydrophobicContact CG-CD2 4.34Å; F155-W171 HydrophobicContact CE2-CB 4.25Å; F155-W171 HydrophobicContact CE2-CD2 4.4Å; F155-W171 HydrophobicContact CE2-CE3 4.42Å; F155-W171 HydrophobicContact CE2-CG 4.35Å; F155-W171 HydrophobicContact CZ-CB 3.57Å; F155-W171 HydrophobicContact CZ-CD2 4.32Å; F155-W171 AromaticContact CZ-CG 3.82Å; F155-W171 HydrophobicContact CZ-CG 3.82Å; E167-W171 PolarHBondContact O-N 3.49Å

Retrieved 171 of 171 residues in 264.8 ms (Link to these results)

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