A0A087YJ20_POEFO Loading...

RAD52 motif-containing protein 1

AlphaFold DB , UniProt , Accession A0A087YJ20, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 273 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
1P45Very low80.6Confident180 Ų18076.4 Ų76.4100%1.16944%0.443SS*.  0113.306.316.1000109.6
2G54.5Low81.5Confident78 Ų7872.3 Ų72.380%0.80442%0.42SS*.PPolyproline II helixtrans-60.8142.8177.400000110.6E4G2-E4 PolarHBondContact O-N 3.08Å
3M62.3Low82.2Confident129 Ų12967.2 Ų67.264%0.63539%0.39SS*.PPolyproline II helixtrans-63.2118.6172.6-179.5179.9-98.700108.1V5 L225M3-V5 HydrophobicContact CB-CG2 4.48Å; M3-V5 HydrophobicContact CG-CG2 3.87Å; M3-V5 PolarHBondContact O-N 3.48Å; M3-V5 HydrophobicContact SD-CG2 4.16Å; M3-L225 HydrophobicContact SD-CD2 3.87Å
4E77.7Confident82.3Confident122 Ų12264.9 Ų64.957%0.5738%0.375SS*.PPolyproline II helixtrans-72.7119.7172.4-158.9171.8-166.900107.6G2 G226G2-E4 PolarHBondContact O-N 3.08Å; E4-G226 PolarHBondContact O-N 2.78Å
5V87.4Confident82.4Confident74 Ų7465.6 Ų65.645%0.44838%0.377SS..EExtended strand (participates in β ladder)trans-123128.6-178.6-179.80000107.8M3 I223 L224 L225M3-V5 HydrophobicContact CB-CG2 4.48Å; M3-V5 HydrophobicContact CG-CG2 3.87Å; M3-V5 PolarHBondContact O-N 3.48Å; M3-V5 HydrophobicContact SD-CG2 4.16Å; V5-I223 HydrophobicContact CG1-CG2 3.56Å; V5-L224 WeakPolarHBondContact CA-O 3.49Å; V5-L225 HydrophobicContact CG1-CD2 4.44Å; V5-L225 HydrophobicContact CG2-CD2 4.03Å
6D91.2Very high82.5Confident31 Ų3164.4 Ų64.417%0.16637%0.369CS..EExtended strand (participates in β ladder)trans-121.4141.1173.7-162.38.8000110.4L8 S72 A74 L224D6-L8 HydrophobicContact CB-CD1 4.33Å; D6-S72 WeakPolarHBondContact OD2-CA 3.44Å; D6-S72 WeakPolarHBondContact OD2-CB 3.47Å; D6-S72 PolarHBondContact OD2-OG 3.42Å; D6-A74 HydrophobicContact CB-CB 4.47Å; D6-L224 HydrophobicContact CB-CB 4.39Å; D6-L224 PolarHBondContact N-O 2.79Å; D6-L224 PolarHBondContact O-N 3.38Å
7I92.1Very high82.8Confident89 Ų8965.5 Ų65.546%0.45637%0.373SS..EExtended strand (participates in β ladder)trans-113.8119.3-177-56.3176.5000108.4L221I7-L221 HydrophobicContact CG2-CB 4.49Å; I7-L221 HydrophobicContact CG2-CD2 4.06Å
8L93.8Very high83.3Confident2 Ų263.8 Ų63.81%0.0136%0.361CS..EExtended strand (participates in β ladder)trans-105.6128.7178.2-82.965.5000109.9D6 L122 Y126 L222 L224D6-L8 HydrophobicContact CB-CD1 4.33Å; L8-L122 HydrophobicContact CD2-CD1 4.5Å; L8-Y126 HydrophobicContact CD2-CD2 4.49Å; L8-Y126 HydrophobicContact CD2-CE2 3.44Å; L8-Y126 VanDerWaalsContact CD2-CE2 3.44Å; L8-Y126 VanDerWaalsContact CD2-OH 3.27Å; L8-Y126 WeakPolarHBondContact CD2-OH 3.22Å; L8-L222 HydrophobicContact CB-CB 4.1Å; L8-L222 PolarHBondContact N-O 3.2Å; L8-L222 PolarHBondContact O-N 3.37Å; L8-L224 HydrophobicContact CD1-CD1 3.42Å; L8-L224 VanDerWaalsContact CD1-CD1 3.42Å; L8-L224 HydrophobicContact CD1-CG 3.84Å; L8-L224 HydrophobicContact CD2-CD1 3.91Å; L8-L224 HydrophobicContact CG-CD1 4.3Å
9E94.2Very high83.8Confident75 Ų7560.9 Ų60.935%0.3535%0.345SS..EExtended strand (participates in β ladder)trans-103.6151.1170.2-54-164.9-161.600110.2K11 L221 K235E9-K11 HydrophobicContact CB-CB 4.38Å; E9-K11 HydrophobicContact CB-CD 4.43Å; E9-K11 HydrophobicContact CB-CG 4.27Å; E9-K11 PolarHBondContact O-N 2.98Å; E9-K11 VanDerWaalsContact OE2-CD 3.24Å; E9-K11 WeakPolarHBondContact OE2-CD 3.24Å; E9-K11 WeakPolarHBondContact OE2-CE 3.26Å; E9-K11 IonicContact OE2-NZ 2.7Å; E9-K11 PolarHBondContact OE2-NZ 3.06Å; E9-L221 HydrophobicContact CG-CD2 3.68Å; E9-K235 IonicContact OE2-NZ 2.72Å; E9-K235 PolarHBondContact OE2-NZ 3.23Å
10F95.4Very high84.3Confident1 Ų157.9 Ų57.90%0.00433%0.328CS..SBendtrans-76.155.5169.4-70.4-95.7000111.9L114 C119 L122 A123 F217 V220 L222F10-L114 HydrophobicContact CB-CD1 4.25Å; F10-L114 HydrophobicContact CD1-CD1 4.22Å; F10-L114 PolarHBondContact O-N 3.11Å; F10-L114 VanDerWaalsContact O-N 3.08Å; F10-C119 HydrophobicContact CD1-CB 4.02Å; F10-C119 HydrophobicContact CE1-CB 4.41Å; F10-C119 WeakPolarHBondContact CE1-O 3.4Å; F10-L122 HydrophobicContact CD1-CD2 4.05Å; F10-L122 HydrophobicContact CE1-CB 4.03Å; F10-L122 HydrophobicContact CE1-CD2 4Å; F10-L122 HydrophobicContact CE1-CG 4.25Å; F10-L122 HydrophobicContact CZ-CD2 4.46Å; F10-A123 HydrophobicContact CE1-CB 4.15Å; F10-A123 HydrophobicContact CZ-CB 4.15Å; F10-F217 HydrophobicContact CB-CB 4.07Å; F10-F217 HydrophobicContact CD1-CB 4.12Å; F10-F217 AromaticContact CD1-CD1 3.84Å; F10-F217 HydrophobicContact CD1-CD1 3.84Å; F10-F217 HydrophobicContact CD1-CG 4.12Å; F10-F217 HydrophobicContact CD2-CB 4.41Å; F10-F217 HydrophobicContact CD2-CD1 4.06Å; F10-F217 WeakPolarHBondContact CD2-O 3.42Å; F10-F217 AromaticContact CE1-CD1 3.6Å; F10-F217 HydrophobicContact CE1-CD1 3.6Å; F10-F217 AromaticContact CE1-CE1 3.9Å; F10-F217 HydrophobicContact CE1-CE1 3.9Å; F10-F217 HydrophobicContact CE1-CG 4.27Å; F10-F217 AromaticContact CE2-CD1 3.85Å; F10-F217 HydrophobicContact CE2-CD1 3.85Å; F10-F217 HydrophobicContact CE2-CE1 4.41Å; F10-F217 HydrophobicContact CG-CB 3.95Å; F10-F217 HydrophobicContact CG-CD1 4.06Å; F10-F217 HydrophobicContact CG-CG 4.34Å; F10-F217 AromaticContact CZ-CD1 3.61Å; F10-F217 HydrophobicContact CZ-CD1 3.61Å; F10-F217 AromaticContact CZ-CE1 3.82Å; F10-F217 HydrophobicContact CZ-CE1 3.82Å; F10-V220 HydrophobicContact CD2-CB 3.97Å; F10-V220 HydrophobicContact CD2-CG1 4.3Å; F10-V220 HydrophobicContact CE2-CB 3.92Å; F10-V220 HydrophobicContact CE2-CG1 3.76Å; F10-L222 HydrophobicContact CE2-CD1 4.03Å; F10-L222 HydrophobicContact CE2-CD2 4.28Å; F10-L222 HydrophobicContact CE2-CG 3.87Å; F10-L222 HydrophobicContact CZ-CD1 3.9Å; F10-L222 HydrophobicContact CZ-CG 4.22Å
11K92.9Very high84.7Confident59 Ų5957.7 Ų57.726%0.25732%0.323SS..BIsolated β-bridgetrans-128.9157.5177.5-66.9-178.9-176.7157.90111.3E9 P13 N111 A112 L114E9-K11 HydrophobicContact CB-CB 4.38Å; E9-K11 HydrophobicContact CB-CD 4.43Å; E9-K11 HydrophobicContact CB-CG 4.27Å; E9-K11 PolarHBondContact O-N 2.98Å; E9-K11 VanDerWaalsContact OE2-CD 3.24Å; E9-K11 WeakPolarHBondContact OE2-CD 3.24Å; E9-K11 WeakPolarHBondContact OE2-CE 3.26Å; E9-K11 IonicContact OE2-NZ 2.7Å; E9-K11 PolarHBondContact OE2-NZ 3.06Å; K11-P13 WeakPolarHBondContact O-CD 3.17Å; K11-N111 HydrophobicContact CD-CB 4.44Å; K11-A112 WeakPolarHBondContact CA-O 3.41Å; K11-L114 WeakPolarHBondContact O-CD2 3.41Å
12V91.8Very high86.9Confident27 Ų2749.1 Ų49.116%0.16427%0.268CS..  trans-58121.6171.3175.70000108.3M14 Y49 A112 L114V12-M14 HydrophobicContact CG1-SD 4.07Å; V12-M14 PolarHBondContact O-N 2.92Å; V12-Y49 HydrophobicContact CG1-CE1 4.09Å; V12-Y49 HydrophobicContact CG1-CE2 4.35Å; V12-Y49 WeakPolarHBondContact CG1-OH 3.44Å; V12-Y49 HydrophobicContact CG2-CE2 4.29Å; V12-A112 HydrophobicContact CG2-CB 4.27Å; V12-A112 PolarHBondContact N-O 3.24Å; V12-L114 HydrophobicContact CG2-CD2 4.35Å
13P89.8Confident88.6Confident6 Ų649.5 Ų49.54%0.03925%0.245CC..  trans-63.6129.2178.324.4-31.2000107.8K11 K18 Y49 K69 F70K11-P13 WeakPolarHBondContact O-CD 3.17Å; P13-K18 HydrophobicContact CB-CB 4.46Å; P13-K18 HydrophobicContact CB-CD 3.73Å; P13-Y49 HydrophobicContact CG-CD1 3.7Å; P13-Y49 HydrophobicContact CG-CD2 4.14Å; P13-Y49 HydrophobicContact CG-CE1 4.41Å; P13-Y49 HydrophobicContact CG-CG 3.54Å; P13-K69 HydrophobicContact CB-CG 4.48Å; P13-K69 HydrophobicContact CG-CD 4.05Å; P13-K69 HydrophobicContact CG-CG 3.97Å; P13-K69 WeakPolarHBondContact O-CE 3.46Å; P13-K69 PolarHBondContact O-NZ 2.95Å; P13-F70 WeakPolarHBondContact CB-O 3.44Å
14M84.1Confident89.8Confident35 Ų3547.1 Ų47.117%0.17224%0.235CC..  trans-112.6-18.3-178.5-74.1-50.5-57.400112.8V12 T103 L107V12-M14 HydrophobicContact CG1-SD 4.07Å; V12-M14 PolarHBondContact O-N 2.92Å; M14-T103 HydrophobicContact CE-CG2 4.05Å; M14-T103 WeakPolarHBondContact O-CG2 3.37Å; M14-L107 HydrophobicContact CE-CB 4.16Å; M14-L107 WeakPolarHBondContact CE-O 3.33Å; M14-L107 HydrophobicContact SD-CB 4.31Å
15D84.3Confident90.4Very high76 Ų7641.6 Ų41.641%0.40621%0.209SC..  trans-73.7138-173.1-45.1-71000111.9N17 K18D15-N17 WeakPolarHBondContact CB-OD1 3.23Å; D15-N17 PolarHBondContact O-N 3.49Å; D15-K18 HydrophobicContact CB-CD 4.11Å; D15-K18 HydrophobicContact CB-CG 4.25Å; D15-K18 WeakPolarHBondContact O-CB 3.24Å; D15-K18 PolarHBondContact O-N 2.92Å; D15-K18 VanDerWaalsContact O-N 3.15Å; D15-K18 WeakPolarHBondContact OD2-CE 3.45Å; D15-K18 IonicContact OD2-NZ 3.92Å; D15-K18 PolarHBondContact OD2-NZ 3.23Å
16N83.2Confident90.4Very high47 Ų4739.7 Ų39.725%0.25120%0.199SC..G310 helixtrans-67.5-29.5178.7-62.8-26.2000111.7K18 T19 K101 T103N16-K18 PolarHBondContact O-N 2.86Å; N16-K18 VanDerWaalsContact O-N 3.14Å; N16-T19 PolarHBondContact O-N 3.14Å; N16-K101 PolarHBondContact ND2-O 3.13Å; N16-K101 PolarHBondContact OD1-O 2.98Å; N16-T103 PolarHBondContact OD1-N 2.78Å
17N88.6Confident90.3Very high83 Ų8341.7 Ų41.744%0.44421%0.213SC..G310 helixtrans-68.2-6.1175.668.7-6.3000113.5D15 A73 A76D15-N17 WeakPolarHBondContact CB-OD1 3.23Å; D15-N17 PolarHBondContact O-N 3.49Å; N17-A73 HydrophobicContact CB-CB 4.44Å; N17-A76 VanDerWaalsContact O-CB 3.32Å; N17-A76 WeakPolarHBondContact O-CB 3.46Å
18K91.3Very high90.1Very high34 Ų3442.5 Ų42.515%0.14822%0.222CC..G310 helixtrans-97.5-1.7171.9-67.6174179161.70113.1P13 D15 N16 K69 F70 Y71 A73P13-K18 HydrophobicContact CB-CB 4.46Å; P13-K18 HydrophobicContact CB-CD 3.73Å; D15-K18 HydrophobicContact CB-CD 4.11Å; D15-K18 HydrophobicContact CB-CG 4.25Å; D15-K18 WeakPolarHBondContact O-CB 3.24Å; D15-K18 PolarHBondContact O-N 2.92Å; D15-K18 VanDerWaalsContact O-N 3.15Å; D15-K18 WeakPolarHBondContact OD2-CE 3.45Å; D15-K18 IonicContact OD2-NZ 3.92Å; D15-K18 PolarHBondContact OD2-NZ 3.23Å; N16-K18 PolarHBondContact O-N 2.86Å; N16-K18 VanDerWaalsContact O-N 3.14Å; K18-K69 WeakPolarHBondContact O-CA 3.48Å; K18-F70 PolarHBondContact O-N 3.25Å; K18-Y71 WeakPolarHBondContact CD-O 3.48Å; K18-Y71 VanDerWaalsContact CE-O 3.25Å; K18-Y71 WeakPolarHBondContact CE-O 3.33Å; K18-A73 HydrophobicContact CG-CB 4.01Å
19T92.6Very high89.7Confident10 Ų1044 Ų446%0.06123%0.23CC..EExtended strand (participates in β ladder)trans-114.4130.5-175.3-520000110.8N16 I67 I68 K69 L98 S99N16-T19 PolarHBondContact O-N 3.14Å; T19-I67 HydrophobicContact CG2-CG2 3.8Å; T19-I68 CarbonylContact C-O 3.51Å; T19-I68 WeakPolarHBondContact CA-O 3.25Å; T19-K69 WeakPolarHBondContact OG1-CE 3.41Å; T19-L98 CarbonylContact O-C 3.47Å; T19-L98 WeakPolarHBondContact O-CA 3.41Å; T19-S99 PolarHBondContact O-N 3.34Å
20V93.4Very high89.6Confident0 Ų044.1 Ų44.10%024%0.236CC..EExtended strand (participates in β ladder)trans-116.8131.8177.4176.20000109.3V22 F42 I68 F70 A76 V96 L98V20-V22 HydrophobicContact CG1-CG2 4.27Å; V20-F42 HydrophobicContact CG1-CE1 4.31Å; V20-I68 HydrophobicContact CB-CB 4.47Å; V20-I68 PolarHBondContact N-O 3.14Å; V20-I68 PolarHBondContact O-N 2.93Å; V20-F70 HydrophobicContact CG2-CD2 4.5Å; V20-F70 HydrophobicContact CG2-CE2 4.23Å; V20-A76 HydrophobicContact CG2-CB 3.97Å; V20-A76 WeakPolarHBondContact CG2-O 3.49Å; V20-V96 HydrophobicContact CG1-CG1 3.16Å; V20-L98 HydrophobicContact CG2-CD2 3.87Å
21F92.9Very high89.5Confident53 Ų5348 Ų4823%0.23225%0.254CS..EExtended strand (participates in β ladder)trans-97.9133.4169.1-72.9-82.1000109.9W23 A66 I67 V96 K97 S99F21-W23 HydrophobicContact CB-CE3 3.91Å; F21-W23 HydrophobicContact CB-CZ3 3.82Å; F21-A66 WeakPolarHBondContact CA-O 3.41Å; F21-I67 HydrophobicContact CD1-CG1 3.92Å; F21-I67 HydrophobicContact CE1-CB 4.43Å; F21-I67 HydrophobicContact CE1-CD1 3.77Å; F21-I67 HydrophobicContact CE1-CG1 3.62Å; F21-I67 HydrophobicContact CE1-CG2 4.21Å; F21-V96 CarbonylContact O-C 3.59Å; F21-V96 WeakPolarHBondContact O-CA 3.36Å; F21-K97 PolarHBondContact N-O 3.23Å; F21-K97 PolarHBondContact O-N 3.05Å; F21-S99 VanDerWaalsContact CE2-CB 3.49Å; F21-S99 WeakPolarHBondContact CE2-OG 3.47Å
22V91.7Very high89.5Confident1 Ų150.7 Ų50.71%0.00627%0.271CS..EExtended strand (participates in β ladder)trans-118.9126174.6-1740000107.7V20 I25 L38 F42 Y65 A66 I68 L94 K95 V96V20-V22 HydrophobicContact CG1-CG2 4.27Å; V22-I25 HydrophobicContact CG1-CD1 4.13Å; V22-I25 HydrophobicContact CG1-CG1 4.25Å; V22-L38 HydrophobicContact CG1-CD2 4.37Å; V22-F42 HydrophobicContact CG2-CE1 4.25Å; V22-F42 HydrophobicContact CG2-CE2 4.05Å; V22-F42 HydrophobicContact CG2-CZ 3.57Å; V22-Y65 CarbonylContact O-C 3.48Å; V22-Y65 VanDerWaalsContact O-CA 3.25Å; V22-Y65 WeakPolarHBondContact O-CA 3.47Å; V22-Y65 WeakPolarHBondContact O-CB 3.32Å; V22-A66 HydrophobicContact CB-CB 4.29Å; V22-A66 PolarHBondContact N-O 2.94Å; V22-A66 PolarHBondContact O-N 2.97Å; V22-I68 HydrophobicContact CG2-CD1 3.78Å; V22-I68 HydrophobicContact CG2-CG1 4.28Å; V22-L94 HydrophobicContact CG1-CB 4.14Å; V22-L94 HydrophobicContact CG1-CD1 3.84Å; V22-L94 HydrophobicContact CG1-CG 4.42Å; V22-K95 WeakPolarHBondContact CA-O 3.29Å; V22-V96 HydrophobicContact CG1-CG2 4.35Å; V22-V96 HydrophobicContact CG2-CG1 4.38Å; V22-V96 HydrophobicContact CG2-CG2 4.28Å
23W90.4Very high89.5Confident85 Ų8553.9 Ų53.932%0.32228%0.284SS..EExtended strand (participates in β ladder)trans-140.7-179.1177.167.187.3000111.3F21 I25 K95 K97F21-W23 HydrophobicContact CB-CE3 3.91Å; F21-W23 HydrophobicContact CB-CZ3 3.82Å; W23-I25 VanDerWaalsContact C-N 3.29Å; W23-K95 HydrophobicContact CD2-CB 3.92Å; W23-K95 HydrophobicContact CG-CB 4.15Å; W23-K95 HydrophobicContact CZ2-CB 3.8Å; W23-K95 HydrophobicContact CZ2-CD 4.3Å; W23-K95 PolarHBondContact N-O 3.24Å; W23-K95 VanDerWaalsContact NE1-CB 3.34Å; W23-K95 PolarHBondContact O-N 2.87Å; W23-K97 HydrophobicContact CH2-CB 3.39Å; W23-K97 HydrophobicContact CH2-CD 3.88Å; W23-K97 HydrophobicContact CH2-CG 4.27Å; W23-K97 HydrophobicContact CZ3-CB 3.59Å
24D87.9Confident89.7Confident80 Ų8053.7 Ų53.743%0.42828%0.283SS..EExtended strand (participates in β ladder)trans62.334.5-165.5-63.2-17.2000112.5P26 K95D24-P26 WeakPolarHBondContact O-CD 3.19Å; D24-K95 WeakPolarHBondContact OD2-CD 3.2Å; D24-K95 WeakPolarHBondContact OD2-CE 3.25Å; D24-K95 IonicContact OD2-NZ 2.71Å; D24-K95 PolarHBondContact OD2-NZ 2.87Å
25I90.1Very high90.2Very high5 Ų556.1 Ų56.13%0.02629%0.291CS..EExtended strand (participates in β ladder)trans-81.9117.4172.9-53168.2000108V22 W23 I34 L38 G63 F64 A66 L89 L94V22-I25 HydrophobicContact CG1-CD1 4.13Å; V22-I25 HydrophobicContact CG1-CG1 4.25Å; W23-I25 VanDerWaalsContact C-N 3.29Å; I25-I34 HydrophobicContact CD1-CG2 4.21Å; I25-I34 HydrophobicContact CG2-CD1 3.91Å; I25-I34 HydrophobicContact CG2-CG1 4.24Å; I25-I34 HydrophobicContact CG2-CG2 3.98Å; I25-L38 HydrophobicContact CD1-CD1 4.02Å; I25-G63 VanDerWaalsContact O-CA 3.3Å; I25-G63 WeakPolarHBondContact O-CA 3.26Å; I25-F64 HydrophobicContact CB-CB 4.06Å; I25-F64 WeakPolarHBondContact CB-O 3.28Å; I25-F64 HydrophobicContact CD1-CB 4.43Å; I25-F64 HydrophobicContact CG2-CB 4.27Å; I25-F64 PolarHBondContact N-O 3.14Å; I25-F64 PolarHBondContact O-N 3.5Å; I25-A66 HydrophobicContact CD1-CB 4.26Å; I25-L89 HydrophobicContact CG1-CD1 4.38Å; I25-L89 HydrophobicContact CG2-CD1 4.03Å; I25-L94 HydrophobicContact CG1-CD2 3.92Å
26P87.5Confident90.6Very high35 Ų3558.1 Ų58.123%0.22730%0.298CS..  trans-73.2151.2-17732.8-37.6000111.1D24 V28D24-P26 WeakPolarHBondContact O-CD 3.19Å; P26-V28 HydrophobicContact CB-CG2 4.03Å; P26-V28 HydrophobicContact CG-CG2 4.2Å; P26-V28 PolarHBondContact O-N 2.84Å
27P87.6Confident91.1Very high73 Ų7359.1 Ų59.147%0.47430%0.301SS..THydrogen-bonded Turntrans-81.741.3-178.437.4-38.2000112.1P62 F64P27-P62 WeakPolarHBondContact CD-O 3.37Å; P27-P62 HydrophobicContact CG-CB 4Å; P27-F64 HydrophobicContact CB-CE2 4.2Å
28V88Confident91.3Very high105 Ų10555.2 Ų55.264%0.63628%0.28SS*.THydrogen-bonded Turntrans-80.9-28.2-179.5176.80000111P26P26-V28 HydrophobicContact CB-CG2 4.03Å; P26-V28 HydrophobicContact CG-CG2 4.2Å; P26-V28 PolarHBondContact O-N 2.84Å
29L86.9Confident91.5Very high34 Ų3458.8 Ų58.818%0.17829%0.293CS..SBendtrans-115.3164.7-178.7-68-171.8000112.1Q33 I34 H90L29-Q33 HydrophobicContact CB-CB 4.06Å; L29-Q33 HydrophobicContact CD1-CB 3.86Å; L29-Q33 HydrophobicContact CG-CB 4.42Å; L29-I34 HydrophobicContact CB-CD1 4.28Å; L29-I34 HydrophobicContact CB-CG1 3.82Å; L29-I34 HydrophobicContact CD1-CG1 4.34Å; L29-H90 WeakPolarHBondContact CD1-CE1 3.44Å
30T91.1Very high91.6Very high77 Ų7765.1 Ų65.147%0.47232%0.322SS..  trans-68.9157.8167.7720000111.1D32 Q33 I34T30-D32 PolarHBondContact O-N 2.82Å; T30-Q33 VanDerWaalsContact N-OE1 3.13Å; T30-Q33 PolarHBondContact O-N 2.99Å; T30-Q33 WeakPolarHBondContact OG1-CG 3.36Å; T30-Q33 PolarHBondContact OG1-N 2.96Å; T30-Q33 PolarHBondContact OG1-OE1 3.19Å; T30-I34 WeakPolarHBondContact O-CG1 3.44Å; T30-I34 PolarHBondContact O-N 2.79Å
31Q92.3Very high91.5Very high82 Ų8266.5 Ų66.538%0.38333%0.33SS..Hα-helixtrans-56-38.6178-171.6179.4-63.300112.3I34 Y35 V53 F64Q31-I34 PolarHBondContact O-N 3.28Å; Q31-Y35 WeakPolarHBondContact O-CB 3.21Å; Q31-Y35 PolarHBondContact O-N 2.86Å; Q31-V53 HydrophobicContact CG-CB 3.96Å; Q31-V53 HydrophobicContact CG-CG1 3.82Å; Q31-F64 HydrophobicContact CB-CE1 3.98Å; Q31-F64 HydrophobicContact CB-CZ 4.44Å; Q31-F64 HydrophobicContact CG-CD1 4.49Å; Q31-F64 HydrophobicContact CG-CE1 4.2Å
32D93.3Very high91.6Very high117 Ų11764 Ų6463%0.62632%0.319SS*.Hα-helixtrans-70.2-39.8-179-59.3-25.6000111.8T30 I34 Y35 E36T30-D32 PolarHBondContact O-N 2.82Å; D32-I34 VanDerWaalsContact C-N 3.33Å; D32-I34 PolarHBondContact O-N 2.91Å; D32-Y35 WeakPolarHBondContact O-CB 3.33Å; D32-Y35 PolarHBondContact O-N 3.19Å; D32-E36 WeakPolarHBondContact O-CG 3.37Å; D32-E36 PolarHBondContact O-N 2.91Å
33Q92.9Very high91.8Very high94 Ų9465.8 Ų65.844%0.43933%0.332SS..Hα-helixtrans-65.5-38.9175.1-70.3171-30.700111.6L29 T30 Y35 E36 Q37L29-Q33 HydrophobicContact CB-CB 4.06Å; L29-Q33 HydrophobicContact CD1-CB 3.86Å; L29-Q33 HydrophobicContact CG-CB 4.42Å; T30-Q33 VanDerWaalsContact N-OE1 3.13Å; T30-Q33 PolarHBondContact O-N 2.99Å; T30-Q33 WeakPolarHBondContact OG1-CG 3.36Å; T30-Q33 PolarHBondContact OG1-N 2.96Å; T30-Q33 PolarHBondContact OG1-OE1 3.19Å; Q33-Y35 VanDerWaalsContact C-N 3.32Å; Q33-E36 PolarHBondContact O-N 2.78Å; Q33-Q37 WeakPolarHBondContact O-CG 3.28Å; Q33-Q37 PolarHBondContact O-N 3.12Å; Q33-Q37 VanDerWaalsContact O-N 3.12Å
34I92.8Very high91.9Very high2 Ų266 Ų661%0.0135%0.346CS..Hα-helixtrans-63-43.2173.3-66.4166.6000110.1I25 L29 T30 Q31 D32 Q37 L38 V53 F64I25-I34 HydrophobicContact CD1-CG2 4.21Å; I25-I34 HydrophobicContact CG2-CD1 3.91Å; I25-I34 HydrophobicContact CG2-CG1 4.24Å; I25-I34 HydrophobicContact CG2-CG2 3.98Å; L29-I34 HydrophobicContact CB-CD1 4.28Å; L29-I34 HydrophobicContact CB-CG1 3.82Å; L29-I34 HydrophobicContact CD1-CG1 4.34Å; T30-I34 WeakPolarHBondContact O-CG1 3.44Å; T30-I34 PolarHBondContact O-N 2.79Å; Q31-I34 PolarHBondContact O-N 3.28Å; D32-I34 VanDerWaalsContact C-N 3.33Å; D32-I34 PolarHBondContact O-N 2.91Å; I34-Q37 PolarHBondContact O-N 2.82Å; I34-L38 HydrophobicContact CG2-CD1 3.74Å; I34-L38 HydrophobicContact CG2-CG 4.24Å; I34-L38 WeakPolarHBondContact O-CB 3.39Å; I34-L38 VanDerWaalsContact O-CG 3.29Å; I34-L38 WeakPolarHBondContact O-CG 3.5Å; I34-L38 PolarHBondContact O-N 3.08Å; I34-V53 HydrophobicContact CB-CG1 4.41Å; I34-V53 HydrophobicContact CG2-CG1 3.86Å; I34-V53 HydrophobicContact CG2-CG2 4.14Å; I34-F64 HydrophobicContact CD1-CB 4.27Å; I34-F64 HydrophobicContact CD1-CD1 4.47Å; I34-F64 HydrophobicContact CD1-CD2 3.25Å; I34-F64 HydrophobicContact CD1-CE2 3.57Å; I34-F64 HydrophobicContact CD1-CG 3.77Å; I34-F64 HydrophobicContact CD1-CZ 4.32Å
35Y94.7Very high92.1Very high85 Ų8564.1 Ų64.133%0.33333%0.334SS..Hα-helixtrans-57.4-52.4176.9179.9-83.8000111.4Q31 D32 Q33 Q37 L38 Y39 L51 V53Q31-Y35 WeakPolarHBondContact O-CB 3.21Å; Q31-Y35 PolarHBondContact O-N 2.86Å; D32-Y35 WeakPolarHBondContact O-CB 3.33Å; D32-Y35 PolarHBondContact O-N 3.19Å; Q33-Y35 VanDerWaalsContact C-N 3.32Å; Y35-Q37 PolarHBondContact O-N 2.82Å; Y35-L38 PolarHBondContact O-N 2.9Å; Y35-Y39 VanDerWaalsContact O-CB 3.3Å; Y35-Y39 WeakPolarHBondContact O-CB 3.4Å; Y35-Y39 PolarHBondContact O-N 2.77Å; Y35-L51 HydrophobicContact CD1-CD2 4.41Å; Y35-L51 HydrophobicContact CD2-CD2 3.76Å; Y35-L51 HydrophobicContact CD2-CG 3.81Å; Y35-L51 HydrophobicContact CE1-CD2 4.3Å; Y35-L51 HydrophobicContact CE2-CB 3.88Å; Y35-L51 HydrophobicContact CE2-CD2 3.68Å; Y35-L51 HydrophobicContact CE2-CG 3.61Å; Y35-L51 WeakPolarHBondContact CE2-O 3.45Å; Y35-L51 HydrophobicContact CG-CD2 4.13Å; Y35-L51 WeakPolarHBondContact O-CD2 3.23Å; Y35-V53 HydrophobicContact CD2-CG2 4.22Å
36E94.3Very high92.3Very high119 Ų11964.1 Ų64.156%0.55634%0.336SS*.Hα-helixtrans-59.7-44-179.4-73.4-59.3138.200112.3D32 Q33 Y39 H40D32-E36 WeakPolarHBondContact O-CG 3.37Å; D32-E36 PolarHBondContact O-N 2.91Å; Q33-E36 PolarHBondContact O-N 2.78Å; E36-Y39 PolarHBondContact O-N 2.86Å; E36-H40 WeakPolarHBondContact O-CB 3.38Å; E36-H40 PolarHBondContact O-N 3.31Å
37Q92.3Very high92.6Very high68 Ų6863.2 Ų63.232%0.31833%0.33SS..Hα-helixtrans-67.7-42.6179.3-69.2-171.510.800112.4Q33 I34 Y35 Y39 H40 V41 L89 H90Q33-Q37 WeakPolarHBondContact O-CG 3.28Å; Q33-Q37 PolarHBondContact O-N 3.12Å; Q33-Q37 VanDerWaalsContact O-N 3.12Å; I34-Q37 PolarHBondContact O-N 2.82Å; Y35-Q37 PolarHBondContact O-N 2.82Å; Q37-Y39 VanDerWaalsContact C-N 3.33Å; Q37-H40 PolarHBondContact O-N 2.91Å; Q37-V41 WeakPolarHBondContact O-CG2 3.4Å; Q37-V41 PolarHBondContact O-N 2.68Å; Q37-L89 HydrophobicContact CB-CD2 3.37Å; Q37-L89 HydrophobicContact CG-CD2 4.29Å; Q37-H90 PolarHBondContact NE2-CE1 2.93Å; Q37-H90 VanDerWaalsContact NE2-CE1 3.28Å; Q37-H90 PolarHBondContact OE1-CE1 2.77Å
38L93.9Very high93Very high1 Ų160.5 Ų60.51%0.00531%0.312CS..Hα-helixtrans-64-40.8174.1-72.9176000111.2V22 I25 I34 Y35 V41 F42 L51 V53 A66 L89 L94V22-L38 HydrophobicContact CG1-CD2 4.37Å; I25-L38 HydrophobicContact CD1-CD1 4.02Å; I34-L38 HydrophobicContact CG2-CD1 3.74Å; I34-L38 HydrophobicContact CG2-CG 4.24Å; I34-L38 WeakPolarHBondContact O-CB 3.39Å; I34-L38 VanDerWaalsContact O-CG 3.29Å; I34-L38 WeakPolarHBondContact O-CG 3.5Å; I34-L38 PolarHBondContact O-N 3.08Å; Y35-L38 PolarHBondContact O-N 2.9Å; L38-V41 PolarHBondContact O-N 2.71Å; L38-F42 HydrophobicContact CB-CD2 4.44Å; L38-F42 HydrophobicContact CD2-CD2 4.02Å; L38-F42 HydrophobicContact CD2-CE2 3.64Å; L38-F42 WeakPolarHBondContact O-CB 3.49Å; L38-F42 VanDerWaalsContact O-CD2 3.31Å; L38-F42 WeakPolarHBondContact O-CD2 3.28Å; L38-F42 PolarHBondContact O-N 2.83Å; L38-L51 HydrophobicContact CB-CD1 4.17Å; L38-L51 HydrophobicContact CB-CD2 4.13Å; L38-L51 HydrophobicContact CD1-CD1 4.43Å; L38-V53 HydrophobicContact CD1-CG2 3.99Å; L38-A66 HydrophobicContact CD1-CB 3.49Å; L38-A66 VanDerWaalsContact CD1-CB 3.49Å; L38-L89 HydrophobicContact CD2-CD1 3.79Å; L38-L89 HydrophobicContact CD2-CG 4.47Å; L38-L89 HydrophobicContact CG-CD1 4.12Å; L38-L94 HydrophobicContact CD2-CD1 4.46Å
39Y95.2Very high93.3Very high109 Ų10957.7 Ų57.743%0.42729%0.29SS..Hα-helixtrans-59.6-50.1177-176.1-95000110.7Y35 E36 Q37 V41 F42 S43 L48 L51Y35-Y39 VanDerWaalsContact O-CB 3.3Å; Y35-Y39 WeakPolarHBondContact O-CB 3.4Å; Y35-Y39 PolarHBondContact O-N 2.77Å; E36-Y39 PolarHBondContact O-N 2.86Å; Q37-Y39 VanDerWaalsContact C-N 3.33Å; Y39-V41 PolarHBondContact O-N 3.02Å; Y39-F42 PolarHBondContact O-N 2.87Å; Y39-S43 WeakPolarHBondContact O-CB 3.36Å; Y39-S43 PolarHBondContact O-N 2.77Å; Y39-S43 PolarHBondContact O-OG 3.24Å; Y39-L48 HydrophobicContact CD2-CD1 3.99Å; Y39-L48 HydrophobicContact CE2-CD1 4.32Å; Y39-L51 HydrophobicContact CD2-CD2 4.25Å; Y39-L51 HydrophobicContact CG-CD2 4.49Å
40H93.8Very high93.5Very high143 Ų14358.7 Ų58.766%0.66230%0.295SS*.Hα-helixtrans-59.1-47.4178.4-178.9-84.6000112.4E36 Q37 S43E36-H40 WeakPolarHBondContact O-CB 3.38Å; E36-H40 PolarHBondContact O-N 3.31Å; Q37-H40 PolarHBondContact O-N 2.91Å; H40-S43 PolarHBondContact O-OG 3.01Å
41V92.8Very high93.7Very high29 Ų2955.7 Ų55.718%0.17628%0.276CS..Hα-helixtrans-66.1-49.7179.91720000111.2Q37 L38 Y39 S44 F45 L88Q37-V41 WeakPolarHBondContact O-CG2 3.4Å; Q37-V41 PolarHBondContact O-N 2.68Å; L38-V41 PolarHBondContact O-N 2.71Å; Y39-V41 PolarHBondContact O-N 3.02Å; V41-S44 WeakPolarHBondContact O-CB 3.38Å; V41-S44 PolarHBondContact O-N 3.11Å; V41-S44 PolarHBondContact O-OG 3.46Å; V41-F45 HydrophobicContact CG1-CE2 4.37Å; V41-L88 HydrophobicContact CG1-CD1 4.06Å; V41-L88 HydrophobicContact CG1-CD2 4.34Å
42F94.7Very high93.8Very high0 Ų057.1 Ų57.10%028%0.281CS..Hα-helixtrans-79.9-27.2-171.3-77-93.7000113.5V20 V22 L38 Y39 S44 F45 L48 I68 F70 A79 A83 V96V20-F42 HydrophobicContact CG1-CE1 4.31Å; V22-F42 HydrophobicContact CG2-CE1 4.25Å; V22-F42 HydrophobicContact CG2-CE2 4.05Å; V22-F42 HydrophobicContact CG2-CZ 3.57Å; L38-F42 HydrophobicContact CB-CD2 4.44Å; L38-F42 HydrophobicContact CD2-CD2 4.02Å; L38-F42 HydrophobicContact CD2-CE2 3.64Å; L38-F42 WeakPolarHBondContact O-CB 3.49Å; L38-F42 VanDerWaalsContact O-CD2 3.31Å; L38-F42 WeakPolarHBondContact O-CD2 3.28Å; L38-F42 PolarHBondContact O-N 2.83Å; Y39-F42 PolarHBondContact O-N 2.87Å; F42-S44 PolarHBondContact O-N 2.88Å; F42-F45 HydrophobicContact CD1-CD2 4.2Å; F42-F45 HydrophobicContact CD1-CE2 4.35Å; F42-F45 PolarHBondContact O-N 2.85Å; F42-L48 HydrophobicContact CB-CD1 4.15Å; F42-L48 HydrophobicContact CB-CD2 4.25Å; F42-I68 HydrophobicContact CB-CD1 4.05Å; F42-I68 HydrophobicContact CB-CG2 4.25Å; F42-I68 HydrophobicContact CD1-CD1 3.64Å; F42-I68 HydrophobicContact CD1-CG2 4.43Å; F42-I68 HydrophobicContact CD2-CD1 3.39Å; F42-I68 HydrophobicContact CE1-CD1 3.87Å; F42-I68 HydrophobicContact CE2-CD1 3.64Å; F42-I68 HydrophobicContact CG-CD1 3.39Å; F42-I68 HydrophobicContact CG-CG2 4.45Å; F42-I68 HydrophobicContact CZ-CD1 3.86Å; F42-F70 HydrophobicContact CB-CZ 4.2Å; F42-F70 HydrophobicContact CD1-CE2 4.27Å; F42-F70 AromaticContact CD1-CZ 3.99Å; F42-F70 HydrophobicContact CD1-CZ 3.99Å; F42-F70 WeakPolarHBondContact O-CE1 3.32Å; F42-A79 HydrophobicContact CD1-CB 3.97Å; F42-A79 HydrophobicContact CE1-CB 4.07Å; F42-A83 HydrophobicContact CE1-CB 4.27Å; F42-A83 HydrophobicContact CZ-CB 4.08Å; F42-V96 HydrophobicContact CE1-CG1 4.29Å; F42-V96 HydrophobicContact CZ-CG1 4.34Å; F42-V96 HydrophobicContact CZ-CG2 4.32Å
43S95Very high93.9Very high38 Ų3851.9 Ų51.927%0.26625%0.253SS..Hα-helixtrans-65.8-22.4172.460.90000113Y39 H40 F45 G46Y39-S43 WeakPolarHBondContact O-CB 3.36Å; Y39-S43 PolarHBondContact O-N 2.77Å; Y39-S43 PolarHBondContact O-OG 3.24Å; H40-S43 PolarHBondContact O-OG 3.01Å; S43-F45 PolarHBondContact O-N 3.39Å; S43-G46 WeakPolarHBondContact CA-O 3.48Å; S43-G46 CarbonylContact O-C 3.54Å; S43-G46 PolarHBondContact O-N 2.86Å; S43-G46 VanDerWaalsContact O-N 3.12Å
44S93.4Very high93.8Very high90 Ų9048.1 Ų48.163%0.62924%0.237SC*.THydrogen-bonded Turntrans-66.5-24.217477.90000113.7V41 F42V41-S44 WeakPolarHBondContact O-CB 3.38Å; V41-S44 PolarHBondContact O-N 3.11Å; V41-S44 PolarHBondContact O-OG 3.46Å; F42-S44 PolarHBondContact O-N 2.88Å
45F92.3Very high93.8Very high40 Ų4051.7 Ų51.718%0.17526%0.26CS..THydrogen-bonded Turntrans-81.9-17173.8-59.3-67.1000112.7V41 F42 S43 F70 H75 A79 L82V41-F45 HydrophobicContact CG1-CE2 4.37Å; F42-F45 HydrophobicContact CD1-CD2 4.2Å; F42-F45 HydrophobicContact CD1-CE2 4.35Å; F42-F45 PolarHBondContact O-N 2.85Å; S43-F45 PolarHBondContact O-N 3.39Å; F45-F70 HydrophobicContact CB-CE1 4.06Å; F45-F70 HydrophobicContact CB-CZ 4.31Å; F45-H75 WeakPolarHBondContact O-CB 3.28Å; F45-H75 PolarHBondContact O-CD2 2.83Å; F45-A79 HydrophobicContact CB-CB 4.12Å; F45-A79 HydrophobicContact CD1-CB 4.45Å; F45-A79 HydrophobicContact CD2-CB 3.49Å; F45-A79 VanDerWaalsContact CD2-CB 3.49Å; F45-A79 HydrophobicContact CE2-CB 3.99Å; F45-A79 HydrophobicContact CG-CB 3.77Å; F45-L82 HydrophobicContact CD1-CD1 4.3Å; F45-L82 HydrophobicContact CE1-CB 3.74Å; F45-L82 HydrophobicContact CE1-CD1 3.7Å; F45-L82 HydrophobicContact CE1-CG 4.35Å; F45-L82 HydrophobicContact CZ-CB 4.02Å
46G92.8Very high93.6Very high6 Ų650 Ų506%0.06226%0.257CS..SBendtrans147.2173.8-178.800000113S43 L48S43-G46 WeakPolarHBondContact CA-O 3.48Å; S43-G46 CarbonylContact O-C 3.54Å; S43-G46 PolarHBondContact O-N 2.86Å; S43-G46 VanDerWaalsContact O-N 3.12Å; G46-L48 PolarHBondContact O-N 2.9Å
47P94.4Very high93.3Very high15 Ų1546.9 Ų46.910%0.09725%0.252CS..  trans-68.4136.2-174.326.5-31.8000111.7Y71 L122 Y126P47-Y71 HydrophobicContact CB-CD2 3.99Å; P47-Y71 HydrophobicContact CB-CE2 4.36Å; P47-Y71 HydrophobicContact CG-CD2 4.12Å; P47-Y71 WeakPolarHBondContact O-CD2 3.22Å; P47-Y71 PolarHBondContact O-N 3.3Å; P47-L122 HydrophobicContact CB-CD1 4.31Å; P47-L122 HydrophobicContact CG-CD1 3.98Å; P47-Y126 WeakPolarHBondContact CD-OH 3.44Å; P47-Y126 HydrophobicContact CG-CE2 3.75Å; P47-Y126 WeakPolarHBondContact CG-OH 3.43Å
48L95.4Very high92.9Very high17 Ų1750.1 Ų50.19%0.08928%0.279CS..EExtended strand (participates in β ladder)trans-95130.1-179.9-51.7-176.5000110.1Y39 F42 G46 L51 I68 K69 F70Y39-L48 HydrophobicContact CD2-CD1 3.99Å; Y39-L48 HydrophobicContact CE2-CD1 4.32Å; F42-L48 HydrophobicContact CB-CD1 4.15Å; F42-L48 HydrophobicContact CB-CD2 4.25Å; G46-L48 PolarHBondContact O-N 2.9Å; L48-L51 HydrophobicContact CD1-CB 4.49Å; L48-I68 HydrophobicContact CD1-CG2 4.19Å; L48-I68 HydrophobicContact CD2-CG2 3.78Å; L48-K69 CarbonylContact C-O 3.59Å; L48-F70 HydrophobicContact CD2-CD1 3.55Å; L48-F70 HydrophobicContact CD2-CD2 4.35Å; L48-F70 HydrophobicContact CD2-CE1 3.21Å; L48-F70 HydrophobicContact CD2-CE2 4.05Å; L48-F70 HydrophobicContact CD2-CG 4.12Å; L48-F70 HydrophobicContact CD2-CZ 3.49Å; L48-F70 VanDerWaalsContact CD2-CZ 3.49Å
49Y94.1Very high92.5Very high45 Ų4558.2 Ų58.218%0.17632%0.321CS..EExtended strand (participates in β ladder)trans-77.4-42.2167.1171.3-101000111.2V12 P13 K69 Y71 L114 R118V12-Y49 HydrophobicContact CG1-CE1 4.09Å; V12-Y49 HydrophobicContact CG1-CE2 4.35Å; V12-Y49 WeakPolarHBondContact CG1-OH 3.44Å; V12-Y49 HydrophobicContact CG2-CE2 4.29Å; P13-Y49 HydrophobicContact CG-CD1 3.7Å; P13-Y49 HydrophobicContact CG-CD2 4.14Å; P13-Y49 HydrophobicContact CG-CE1 4.41Å; P13-Y49 HydrophobicContact CG-CG 3.54Å; Y49-K69 HydrophobicContact CD1-CB 4.31Å; Y49-K69 HydrophobicContact CD1-CD 4.06Å; Y49-K69 HydrophobicContact CD1-CG 4.3Å; Y49-K69 PolarHBondContact N-O 2.96Å; Y49-Y71 AromaticContact CD2-CE1 3.86Å; Y49-Y71 HydrophobicContact CD2-CE1 3.86Å; Y49-Y71 AromaticContact CD2-CZ 3.89Å; Y49-Y71 HydrophobicContact CG-CE1 4.42Å; Y49-L114 HydrophobicContact CD2-CD2 3.95Å; Y49-L114 HydrophobicContact CE2-CD2 3.78Å; Y49-R118 PolarHBondContact O-NH2 2.81Å
50L93.1Very high92Very high55 Ų5559 Ų5929%0.28833%0.329SS..EExtended strand (participates in β ladder)trans-144.1137-177.6178.367.2000110.4I68 K69L50-I68 CarbonylContact O-C 3.54Å; L50-I68 WeakPolarHBondContact O-CA 3.46Å; L50-K69 HydrophobicContact CB-CB 3.92Å; L50-K69 PolarHBondContact N-O 3.39Å; L50-K69 PolarHBondContact O-N 2.76Å
51L94.9Very high91.7Very high14 Ų1456.8 Ų56.87%0.07333%0.327CS..EExtended strand (participates in β ladder)trans-128.5125.8161.1172.262.1000106.6Y35 L38 Y39 L48 A66 I67 I68Y35-L51 HydrophobicContact CD1-CD2 4.41Å; Y35-L51 HydrophobicContact CD2-CD2 3.76Å; Y35-L51 HydrophobicContact CD2-CG 3.81Å; Y35-L51 HydrophobicContact CE1-CD2 4.3Å; Y35-L51 HydrophobicContact CE2-CB 3.88Å; Y35-L51 HydrophobicContact CE2-CD2 3.68Å; Y35-L51 HydrophobicContact CE2-CG 3.61Å; Y35-L51 WeakPolarHBondContact CE2-O 3.45Å; Y35-L51 HydrophobicContact CG-CD2 4.13Å; Y35-L51 WeakPolarHBondContact O-CD2 3.23Å; L38-L51 HydrophobicContact CB-CD1 4.17Å; L38-L51 HydrophobicContact CB-CD2 4.13Å; L38-L51 HydrophobicContact CD1-CD1 4.43Å; Y39-L51 HydrophobicContact CD2-CD2 4.25Å; Y39-L51 HydrophobicContact CG-CD2 4.49Å; L48-L51 HydrophobicContact CD1-CB 4.49Å; L51-A66 HydrophobicContact CD1-CB 4.42Å; L51-I67 WeakPolarHBondContact CA-O 3.43Å; L51-I68 HydrophobicContact CD1-CB 4.47Å; L51-I68 HydrophobicContact CD1-CD1 3.8Å; L51-I68 HydrophobicContact CD1-CG1 3.57Å
52K94.3Very high91.4Very high113 Ų11360.8 Ų60.849%0.49135%0.353SS..EExtended strand (participates in β ladder)trans-134120.7176-172.2-179-175.5-177.70109.3C54 A66 I67K52-C54 VanDerWaalsContact CE-SG 3.52Å; K52-A66 CarbonylContact O-C 3.51Å; K52-A66 WeakPolarHBondContact O-CA 3.42Å; K52-I67 PolarHBondContact N-O 3.22Å; K52-I67 PolarHBondContact O-N 3.36Å
53V93.9Very high91.2Very high7 Ų761.1 Ų61.14%0.04236%0.356CS..EExtended strand (participates in β ladder)trans-97136.7171.7-174.60000108.2Q31 I34 Y35 L38 F64 A66Q31-V53 HydrophobicContact CG-CB 3.96Å; Q31-V53 HydrophobicContact CG-CG1 3.82Å; I34-V53 HydrophobicContact CB-CG1 4.41Å; I34-V53 HydrophobicContact CG2-CG1 3.86Å; I34-V53 HydrophobicContact CG2-CG2 4.14Å; Y35-V53 HydrophobicContact CD2-CG2 4.22Å; L38-V53 HydrophobicContact CD1-CG2 3.99Å; V53-F64 HydrophobicContact CG1-CB 4.05Å; V53-F64 HydrophobicContact CG1-CD1 3.96Å; V53-F64 HydrophobicContact CG1-CG 4.27Å; V53-A66 HydrophobicContact CG2-CB 4.23Å
54C91.7Very high91.1Very high15 Ų1560.6 Ų60.610%0.10135%0.35CS..EExtended strand (participates in β ladder)trans-136.8141.7-179.4-70.30000109.6K52 F64 Y65K52-C54 VanDerWaalsContact CE-SG 3.52Å; C54-F64 CarbonylContact O-C 3.59Å; C54-F64 VanDerWaalsContact O-CA 3.3Å; C54-F64 WeakPolarHBondContact O-CA 3.38Å; C54-Y65 HydrophobicContact CB-CD1 4.1Å; C54-Y65 HydrophobicContact CB-CD2 4.39Å; C54-Y65 HydrophobicContact CB-CE1 3.5Å; C54-Y65 VanDerWaalsContact CB-CE1 3.5Å; C54-Y65 HydrophobicContact CB-CE2 3.83Å; C54-Y65 PolarHBondContact N-O 3.36Å; C54-Y65 WeakPolarHBondContact O-CD1 3.4Å; C54-Y65 PolarHBondContact O-N 3.41Å; C54-Y65 VanDerWaalsContact O-O 3.1Å
55P92.6Very high91.1Very high77 Ų7760.2 Ų60.250%0.534%0.335SS..EExtended strand (participates in β ladder)trans-67150.3170.729.5-34.2000110.3F64 Y65P55-F64 HydrophobicContact CB-CD1 4.26Å; P55-F64 HydrophobicContact CB-CE1 4.2Å; P55-Y65 WeakPolarHBondContact O-CE1 3.25Å
56N90.4Very high91.1Very high48 Ų4858.3 Ų58.326%0.25733%0.327SS..PPolyproline II helixtrans-59.5148.8169.6-70.1-15.9000110.3H60 P61 G63N56-H60 HydrophobicContact CB-CB 4.15Å; N56-P61 PolarHBondContact ND2-O 2.91Å; N56-G63 PolarHBondContact N-O 3.05Å
57A88.5Confident91.1Very high55 Ų5560 Ų6046%0.45533%0.334SS..PPolyproline II helixtrans-64.1154.117700000110.8L59 H60A57-L59 PolarHBondContact O-N 2.79Å; A57-H60 PolarHBondContact O-N 2.97Å
58P84.5Confident91.1Very high135 Ų13559.3 Ų59.388%0.87733%0.329SS*.THydrogen-bonded Turntrans-57.9-20.7-170.2-26.934.9000116
59L85.7Confident91.1Very high171 Ų17158.6 Ų58.690%0.89533%0.325SS*.THydrogen-bonded Turntrans-85.7-6.5179.3-61.7173.3000113.6A57A57-L59 PolarHBondContact O-N 2.79Å
60H84.1Confident91.1Very high127 Ų12756.5 Ų56.559%0.58832%0.317SS*.SBendtrans-105.1160.7178.9-71.6-78.2000111.2N56 A57N56-H60 HydrophobicContact CB-CB 4.15Å; A57-H60 PolarHBondContact O-N 2.97Å
61P86.4Confident91.1Very high96 Ų9654.4 Ų54.462%0.62331%0.305SS*.  trans-52.1141.1174.1-26.935.2000112N56 G63N56-P61 PolarHBondContact ND2-O 2.91Å; P61-G63 PolarHBondContact O-N 2.8Å
62P87.5Confident91Very high112 Ų11253.7 Ų53.773%0.72730%0.302SS*.SBendtrans-51.5132.9174.9-27.435.5000110.9P27P27-P62 WeakPolarHBondContact CD-O 3.37Å; P27-P62 HydrophobicContact CG-CB 4Å
63G91.3Very high90.9Very high7 Ų749.3 Ų49.37%0.07229%0.286CS..  trans160.4-173.8-174.600000111.4I25 N56 P61I25-G63 VanDerWaalsContact O-CA 3.3Å; I25-G63 WeakPolarHBondContact O-CA 3.26Å; N56-G63 PolarHBondContact N-O 3.05Å; P61-G63 PolarHBondContact O-N 2.8Å
64F91.9Very high90.8Very high28 Ų2850 Ų5012%0.12329%0.293CS..EExtended strand (participates in β ladder)trans-128.8158.3-178.1-60.3-92.4000111.2I25 P27 Q31 I34 V53 C54 P55I25-F64 HydrophobicContact CB-CB 4.06Å; I25-F64 WeakPolarHBondContact CB-O 3.28Å; I25-F64 HydrophobicContact CD1-CB 4.43Å; I25-F64 HydrophobicContact CG2-CB 4.27Å; I25-F64 PolarHBondContact N-O 3.14Å; I25-F64 PolarHBondContact O-N 3.5Å; P27-F64 HydrophobicContact CB-CE2 4.2Å; Q31-F64 HydrophobicContact CB-CE1 3.98Å; Q31-F64 HydrophobicContact CB-CZ 4.44Å; Q31-F64 HydrophobicContact CG-CD1 4.49Å; Q31-F64 HydrophobicContact CG-CE1 4.2Å; I34-F64 HydrophobicContact CD1-CB 4.27Å; I34-F64 HydrophobicContact CD1-CD1 4.47Å; I34-F64 HydrophobicContact CD1-CD2 3.25Å; I34-F64 HydrophobicContact CD1-CE2 3.57Å; I34-F64 HydrophobicContact CD1-CG 3.77Å; I34-F64 HydrophobicContact CD1-CZ 4.32Å; V53-F64 HydrophobicContact CG1-CB 4.05Å; V53-F64 HydrophobicContact CG1-CD1 3.96Å; V53-F64 HydrophobicContact CG1-CG 4.27Å; C54-F64 CarbonylContact O-C 3.59Å; C54-F64 VanDerWaalsContact O-CA 3.3Å; C54-F64 WeakPolarHBondContact O-CA 3.38Å; P55-F64 HydrophobicContact CB-CD1 4.26Å; P55-F64 HydrophobicContact CB-CE1 4.2Å
65Y92.4Very high90.9Very high82 Ų8250.9 Ų50.932%0.32230%0.295SS..EExtended strand (participates in β ladder)trans-129157.916270.4-85.2000109V22 C54 P55 I67V22-Y65 CarbonylContact O-C 3.48Å; V22-Y65 VanDerWaalsContact O-CA 3.25Å; V22-Y65 WeakPolarHBondContact O-CA 3.47Å; V22-Y65 WeakPolarHBondContact O-CB 3.32Å; C54-Y65 HydrophobicContact CB-CD1 4.1Å; C54-Y65 HydrophobicContact CB-CD2 4.39Å; C54-Y65 HydrophobicContact CB-CE1 3.5Å; C54-Y65 VanDerWaalsContact CB-CE1 3.5Å; C54-Y65 HydrophobicContact CB-CE2 3.83Å; C54-Y65 PolarHBondContact N-O 3.36Å; C54-Y65 WeakPolarHBondContact O-CD1 3.4Å; C54-Y65 PolarHBondContact O-N 3.41Å; C54-Y65 VanDerWaalsContact O-O 3.1Å; P55-Y65 WeakPolarHBondContact O-CE1 3.25Å; Y65-I67 HydrophobicContact CD2-CG1 4.35Å; Y65-I67 HydrophobicContact CE2-CD1 4.24Å; Y65-I67 HydrophobicContact CE2-CG1 4.16Å
66A93.1Very high90.9Very high0 Ų047.2 Ų47.20%027%0.271CS..EExtended strand (participates in β ladder)trans-129.2147.8176.700000111.8F21 V22 I25 L38 L51 K52 V53F21-A66 WeakPolarHBondContact CA-O 3.41Å; V22-A66 HydrophobicContact CB-CB 4.29Å; V22-A66 PolarHBondContact N-O 2.94Å; V22-A66 PolarHBondContact O-N 2.97Å; I25-A66 HydrophobicContact CD1-CB 4.26Å; L38-A66 HydrophobicContact CD1-CB 3.49Å; L38-A66 VanDerWaalsContact CD1-CB 3.49Å; L51-A66 HydrophobicContact CD1-CB 4.42Å; K52-A66 CarbonylContact O-C 3.51Å; K52-A66 WeakPolarHBondContact O-CA 3.42Å; V53-A66 HydrophobicContact CG2-CB 4.23Å
67I93.5Very high91Very high41 Ų4146.8 Ų46.821%0.2128%0.275CS..EExtended strand (participates in β ladder)trans-114.2119.6172.5-50.1-177.1000106.7T19 F21 L51 K52 Y65T19-I67 HydrophobicContact CG2-CG2 3.8Å; F21-I67 HydrophobicContact CD1-CG1 3.92Å; F21-I67 HydrophobicContact CE1-CB 4.43Å; F21-I67 HydrophobicContact CE1-CD1 3.77Å; F21-I67 HydrophobicContact CE1-CG1 3.62Å; F21-I67 HydrophobicContact CE1-CG2 4.21Å; L51-I67 WeakPolarHBondContact CA-O 3.43Å; K52-I67 PolarHBondContact N-O 3.22Å; K52-I67 PolarHBondContact O-N 3.36Å; Y65-I67 HydrophobicContact CD2-CG1 4.35Å; Y65-I67 HydrophobicContact CE2-CD1 4.24Å; Y65-I67 HydrophobicContact CE2-CG1 4.16Å
68I94.5Very high91.1Very high0 Ų047.2 Ų47.20%027%0.27CS..EExtended strand (participates in β ladder)trans-119.8128.2-177.6-45.2-168.2000107.8T19 V20 V22 F42 L48 L50 L51 F70T19-I68 CarbonylContact C-O 3.51Å; T19-I68 WeakPolarHBondContact CA-O 3.25Å; V20-I68 HydrophobicContact CB-CB 4.47Å; V20-I68 PolarHBondContact N-O 3.14Å; V20-I68 PolarHBondContact O-N 2.93Å; V22-I68 HydrophobicContact CG2-CD1 3.78Å; V22-I68 HydrophobicContact CG2-CG1 4.28Å; F42-I68 HydrophobicContact CB-CD1 4.05Å; F42-I68 HydrophobicContact CB-CG2 4.25Å; F42-I68 HydrophobicContact CD1-CD1 3.64Å; F42-I68 HydrophobicContact CD1-CG2 4.43Å; F42-I68 HydrophobicContact CD2-CD1 3.39Å; F42-I68 HydrophobicContact CE1-CD1 3.87Å; F42-I68 HydrophobicContact CE2-CD1 3.64Å; F42-I68 HydrophobicContact CG-CD1 3.39Å; F42-I68 HydrophobicContact CG-CG2 4.45Å; F42-I68 HydrophobicContact CZ-CD1 3.86Å; L48-I68 HydrophobicContact CD1-CG2 4.19Å; L48-I68 HydrophobicContact CD2-CG2 3.78Å; L50-I68 CarbonylContact O-C 3.54Å; L50-I68 WeakPolarHBondContact O-CA 3.46Å; L51-I68 HydrophobicContact CD1-CB 4.47Å; L51-I68 HydrophobicContact CD1-CD1 3.8Å; L51-I68 HydrophobicContact CD1-CG1 3.57Å; I68-F70 HydrophobicContact CG2-CD2 4.39Å; I68-F70 HydrophobicContact CG2-CE2 3.85Å; I68-F70 HydrophobicContact CG2-CZ 4.31Å
69K94.1Very high91.5Very high3 Ų340.8 Ų40.81%0.01323%0.228CC..EExtended strand (participates in β ladder)trans-123.7123.4179.7-161.4163-169175.50109.8P13 K18 T19 L48 Y49 L50P13-K69 HydrophobicContact CB-CG 4.48Å; P13-K69 HydrophobicContact CG-CD 4.05Å; P13-K69 HydrophobicContact CG-CG 3.97Å; P13-K69 WeakPolarHBondContact O-CE 3.46Å; P13-K69 PolarHBondContact O-NZ 2.95Å; K18-K69 WeakPolarHBondContact O-CA 3.48Å; T19-K69 WeakPolarHBondContact OG1-CE 3.41Å; L48-K69 CarbonylContact C-O 3.59Å; Y49-K69 HydrophobicContact CD1-CB 4.31Å; Y49-K69 HydrophobicContact CD1-CD 4.06Å; Y49-K69 HydrophobicContact CD1-CG 4.3Å; Y49-K69 PolarHBondContact N-O 2.96Å; L50-K69 HydrophobicContact CB-CB 3.92Å; L50-K69 PolarHBondContact N-O 3.39Å; L50-K69 PolarHBondContact O-N 2.76Å
70F94.9Very high91.9Very high0 Ų035.5 Ų35.50%020%0.198CC..EExtended strand (participates in β ladder)trans-93.1160.8176.5-70.5-93.7000110.6P13 K18 V20 F42 F45 L48 I68 S72 H75 A76 A79P13-F70 WeakPolarHBondContact CB-O 3.44Å; K18-F70 PolarHBondContact O-N 3.25Å; V20-F70 HydrophobicContact CG2-CD2 4.5Å; V20-F70 HydrophobicContact CG2-CE2 4.23Å; F42-F70 HydrophobicContact CB-CZ 4.2Å; F42-F70 HydrophobicContact CD1-CE2 4.27Å; F42-F70 AromaticContact CD1-CZ 3.99Å; F42-F70 HydrophobicContact CD1-CZ 3.99Å; F42-F70 WeakPolarHBondContact O-CE1 3.32Å; F45-F70 HydrophobicContact CB-CE1 4.06Å; F45-F70 HydrophobicContact CB-CZ 4.31Å; L48-F70 HydrophobicContact CD2-CD1 3.55Å; L48-F70 HydrophobicContact CD2-CD2 4.35Å; L48-F70 HydrophobicContact CD2-CE1 3.21Å; L48-F70 HydrophobicContact CD2-CE2 4.05Å; L48-F70 HydrophobicContact CD2-CG 4.12Å; L48-F70 HydrophobicContact CD2-CZ 3.49Å; L48-F70 VanDerWaalsContact CD2-CZ 3.49Å; I68-F70 HydrophobicContact CG2-CD2 4.39Å; I68-F70 HydrophobicContact CG2-CE2 3.85Å; I68-F70 HydrophobicContact CG2-CZ 4.31Å; F70-S72 VanDerWaalsContact C-N 3.33Å; F70-S72 VanDerWaalsContact CB-O 3.27Å; F70-S72 WeakPolarHBondContact CB-O 3.36Å; F70-H75 HydrophobicContact CB-CB 4.39Å; F70-H75 HydrophobicContact CD1-CB 3.58Å; F70-H75 HydrophobicContact CE1-CB 4.06Å; F70-H75 HydrophobicContact CG-CB 4.12Å; F70-A76 HydrophobicContact CB-CB 4.3Å; F70-A76 HydrophobicContact CD2-CB 3.76Å; F70-A76 HydrophobicContact CE2-CB 4.47Å; F70-A76 HydrophobicContact CG-CB 4.25Å; F70-A79 HydrophobicContact CE2-CB 3.95Å; F70-A79 HydrophobicContact CZ-CB 3.75Å
71Y93.9Very high92.2Very high11 Ų1133.1 Ų33.14%0.04320%0.196CC..SBendtrans-73.8-29.8164.7-69.3-80.6000112.1K18 P47 Y49 L114 R118 L122K18-Y71 WeakPolarHBondContact CD-O 3.48Å; K18-Y71 VanDerWaalsContact CE-O 3.25Å; K18-Y71 WeakPolarHBondContact CE-O 3.33Å; P47-Y71 HydrophobicContact CB-CD2 3.99Å; P47-Y71 HydrophobicContact CB-CE2 4.36Å; P47-Y71 HydrophobicContact CG-CD2 4.12Å; P47-Y71 WeakPolarHBondContact O-CD2 3.22Å; P47-Y71 PolarHBondContact O-N 3.3Å; Y49-Y71 AromaticContact CD2-CE1 3.86Å; Y49-Y71 HydrophobicContact CD2-CE1 3.86Å; Y49-Y71 AromaticContact CD2-CZ 3.89Å; Y49-Y71 HydrophobicContact CG-CE1 4.42Å; Y71-L114 HydrophobicContact CD1-CD1 4.39Å; Y71-L114 HydrophobicContact CE1-CD1 3.62Å; Y71-L114 HydrophobicContact CE1-CD2 3.77Å; Y71-L114 HydrophobicContact CE1-CG 4.34Å; Y71-R118 WeakPolarHBondContact OH-CD 3.32Å; Y71-L122 HydrophobicContact CD1-CD1 4.23Å; Y71-L122 HydrophobicContact CD1-CD2 3.96Å; Y71-L122 HydrophobicContact CD2-CD1 3.63Å; Y71-L122 HydrophobicContact CE1-CD1 4.46Å; Y71-L122 HydrophobicContact CE1-CD2 4.09Å; Y71-L122 HydrophobicContact CE2-CD1 3.9Å; Y71-L122 HydrophobicContact CG-CD1 3.8Å; Y71-L122 HydrophobicContact CG-CD2 4.33Å
72S92.9Very high92.3Very high0 Ų032.2 Ų32.20%019%0.186CC..  trans-108137.7-174.4160.20000111.5D6 F70 A74 H75 A76D6-S72 WeakPolarHBondContact OD2-CA 3.44Å; D6-S72 WeakPolarHBondContact OD2-CB 3.47Å; D6-S72 PolarHBondContact OD2-OG 3.42Å; F70-S72 VanDerWaalsContact C-N 3.33Å; F70-S72 VanDerWaalsContact CB-O 3.27Å; F70-S72 WeakPolarHBondContact CB-O 3.36Å; S72-A74 PolarHBondContact OG-N 2.92Å; S72-H75 VanDerWaalsContact CB-CG 3.46Å; S72-H75 WeakPolarHBondContact CB-ND1 3.46Å; S72-H75 VanDerWaalsContact OG-CG 3.32Å; S72-H75 PolarHBondContact OG-N 3.46Å; S72-A76 PolarHBondContact O-N 3.44Å
73A91.6Very high92.3Very high20 Ų2026.9 Ų26.917%0.16515%0.151CC..Hα-helixtrans-74.7-34.8173.200000111N17 K18 A76 A77N17-A73 HydrophobicContact CB-CB 4.44Å; K18-A73 HydrophobicContact CG-CB 4.01Å; A73-A76 PolarHBondContact O-N 3.38Å; A73-A77 WeakPolarHBondContact O-CB 3.35Å; A73-A77 PolarHBondContact O-N 3.41Å
74A91.3Very high92.1Very high21 Ų2131.6 Ų31.617%0.17417%0.171CC..Hα-helixtrans-61.2-44.717500000111.3D6 S72 A76 A77 N78D6-A74 HydrophobicContact CB-CB 4.47Å; S72-A74 PolarHBondContact OG-N 2.92Å; A74-A76 VanDerWaalsContact C-N 3.35Å; A74-A76 PolarHBondContact O-N 3.48Å; A74-A77 PolarHBondContact O-N 2.88Å; A74-N78 WeakPolarHBondContact O-CB 3.49Å; A74-N78 VanDerWaalsContact O-CG 3.24Å; A74-N78 PolarHBondContact O-N 2.95Å; A74-N78 PolarHBondContact O-ND2 3.4Å
75H93.1Very high91.5Very high34 Ų3432.3 Ų32.316%0.15719%0.187CC..Hα-helixtrans-62.1-40.8176-61.9162.3000112.3F45 F70 S72 N78 A79 Y126F45-H75 WeakPolarHBondContact O-CB 3.28Å; F45-H75 PolarHBondContact O-CD2 2.83Å; F70-H75 HydrophobicContact CB-CB 4.39Å; F70-H75 HydrophobicContact CD1-CB 3.58Å; F70-H75 HydrophobicContact CE1-CB 4.06Å; F70-H75 HydrophobicContact CG-CB 4.12Å; S72-H75 VanDerWaalsContact CB-CG 3.46Å; S72-H75 WeakPolarHBondContact CB-ND1 3.46Å; S72-H75 VanDerWaalsContact OG-CG 3.32Å; S72-H75 PolarHBondContact OG-N 3.46Å; H75-N78 PolarHBondContact O-N 3.47Å; H75-A79 WeakPolarHBondContact O-CB 3.38Å; H75-A79 PolarHBondContact O-N 2.93Å; H75-Y126 PolarHBondContact CE1-OH 3.05Å; H75-Y126 VanDerWaalsContact CE1-OH 3.27Å
76A93.6Very high91Very high0 Ų034.6 Ų34.60%020%0.195CC..Hα-helixtrans-65.1-41.117600000112.4N17 V20 F70 S72 A73 A74 Q80 L98N17-A76 VanDerWaalsContact O-CB 3.32Å; N17-A76 WeakPolarHBondContact O-CB 3.46Å; V20-A76 HydrophobicContact CG2-CB 3.97Å; V20-A76 WeakPolarHBondContact CG2-O 3.49Å; F70-A76 HydrophobicContact CB-CB 4.3Å; F70-A76 HydrophobicContact CD2-CB 3.76Å; F70-A76 HydrophobicContact CE2-CB 4.47Å; F70-A76 HydrophobicContact CG-CB 4.25Å; S72-A76 PolarHBondContact O-N 3.44Å; A73-A76 PolarHBondContact O-N 3.38Å; A74-A76 VanDerWaalsContact C-N 3.35Å; A74-A76 PolarHBondContact O-N 3.48Å; A76-Q80 PolarHBondContact O-N 3.22Å; A76-L98 HydrophobicContact CB-CD2 3.79Å
77A92.1Very high90.3Very high40 Ų4038.4 Ų38.433%0.33122%0.22SC..Hα-helixtrans-66.9-43.5176.300000112.2A73 A74 Q80 S81A73-A77 WeakPolarHBondContact O-CB 3.35Å; A73-A77 PolarHBondContact O-N 3.41Å; A74-A77 PolarHBondContact O-N 2.88Å; A77-Q80 PolarHBondContact O-N 3.47Å; A77-S81 PolarHBondContact O-N 2.96Å; A77-S81 PolarHBondContact O-OG 3.11Å
78N91.8Very high89.3Confident64 Ų6439 Ų3934%0.34222%0.223SC..Hα-helixtrans-61.6-46.4174.4-73.2-19.8000111.1A74 H75 Q80 S81 L82A74-N78 WeakPolarHBondContact O-CB 3.49Å; A74-N78 VanDerWaalsContact O-CG 3.24Å; A74-N78 PolarHBondContact O-N 2.95Å; A74-N78 PolarHBondContact O-ND2 3.4Å; H75-N78 PolarHBondContact O-N 3.47Å; N78-Q80 VanDerWaalsContact C-N 3.34Å; N78-Q80 PolarHBondContact O-N 3.01Å; N78-S81 PolarHBondContact O-N 3.25Å; N78-S81 PolarHBondContact O-OG 3.01Å; N78-L82 WeakPolarHBondContact O-CB 3.2Å; N78-L82 WeakPolarHBondContact O-CG 3.15Å; N78-L82 PolarHBondContact O-N 3.36Å
79A92.9Very high88.2Confident0 Ų039.2 Ų39.20%022%0.224CC..Hα-helixtrans-58-45.5174.700000111.2F42 F45 F70 H75 A83F42-A79 HydrophobicContact CD1-CB 3.97Å; F42-A79 HydrophobicContact CE1-CB 4.07Å; F45-A79 HydrophobicContact CB-CB 4.12Å; F45-A79 HydrophobicContact CD1-CB 4.45Å; F45-A79 HydrophobicContact CD2-CB 3.49Å; F45-A79 VanDerWaalsContact CD2-CB 3.49Å; F45-A79 HydrophobicContact CE2-CB 3.99Å; F45-A79 HydrophobicContact CG-CB 3.77Å; F70-A79 HydrophobicContact CE2-CB 3.95Å; F70-A79 HydrophobicContact CZ-CB 3.75Å; H75-A79 WeakPolarHBondContact O-CB 3.38Å; H75-A79 PolarHBondContact O-N 2.93Å; A79-A83 WeakPolarHBondContact O-CA 3.27Å; A79-A83 WeakPolarHBondContact O-CB 3.49Å; A79-A83 PolarHBondContact O-N 3.38Å
80Q92.6Very high87Confident59 Ų5943.5 Ų43.528%0.27624%0.244SC..Hα-helixtrans-60.2-52.6176-172.6-163.3-87.400111.8A76 A77 N78 L82 A83 H84 V96 L98A76-Q80 PolarHBondContact O-N 3.22Å; A77-Q80 PolarHBondContact O-N 3.47Å; N78-Q80 VanDerWaalsContact C-N 3.34Å; N78-Q80 PolarHBondContact O-N 3.01Å; Q80-L82 VanDerWaalsContact C-N 3.31Å; Q80-L82 PolarHBondContact O-N 3.48Å; Q80-A83 PolarHBondContact O-N 2.9Å; Q80-H84 WeakPolarHBondContact O-CB 3.39Å; Q80-H84 PolarHBondContact O-N 3.48Å; Q80-V96 HydrophobicContact CB-CG1 4.49Å; Q80-V96 HydrophobicContact CG-CG1 4.49Å; Q80-L98 HydrophobicContact CB-CG 4.22Å; Q80-L98 HydrophobicContact CG-CG 4.49Å
81S90.6Very high85.6Confident78 Ų7850.6 Ų50.655%0.54528%0.281SS..Hα-helixtrans-63.4-36.2-174.165.90000113A77 N78A77-S81 PolarHBondContact O-N 2.96Å; A77-S81 PolarHBondContact O-OG 3.11Å; N78-S81 PolarHBondContact O-N 3.25Å; N78-S81 PolarHBondContact O-OG 3.01Å
82L88.4Confident84.6Confident77 Ų7751.9 Ų51.940%0.40329%0.292SS..Hα-helixtrans-89.9-26.4-177.9-66.1174.5000112.9F45 N78 Q80 R86F45-L82 HydrophobicContact CD1-CD1 4.3Å; F45-L82 HydrophobicContact CE1-CB 3.74Å; F45-L82 HydrophobicContact CE1-CD1 3.7Å; F45-L82 HydrophobicContact CE1-CG 4.35Å; F45-L82 HydrophobicContact CZ-CB 4.02Å; N78-L82 WeakPolarHBondContact O-CB 3.2Å; N78-L82 WeakPolarHBondContact O-CG 3.15Å; N78-L82 PolarHBondContact O-N 3.36Å; Q80-L82 VanDerWaalsContact C-N 3.31Å; Q80-L82 PolarHBondContact O-N 3.48Å; L82-R86 WeakPolarHBondContact O-CD 3.29Å; L82-R86 WeakPolarHBondContact O-CG 3.49Å; L82-R86 PolarHBondContact O-NE 3.39Å
83A87.6Confident84Confident0 Ų054.8 Ų54.80%032%0.316CS..Hα-helixtrans-94.2-24.8-177.400000113.9F42 A79 Q80 G85 R86 L88 V96F42-A83 HydrophobicContact CE1-CB 4.27Å; F42-A83 HydrophobicContact CZ-CB 4.08Å; A79-A83 WeakPolarHBondContact O-CA 3.27Å; A79-A83 WeakPolarHBondContact O-CB 3.49Å; A79-A83 PolarHBondContact O-N 3.38Å; Q80-A83 PolarHBondContact O-N 2.9Å; A83-G85 PolarHBondContact O-N 2.85Å; A83-R86 PolarHBondContact O-N 2.87Å; A83-L88 HydrophobicContact CB-CD1 3.4Å; A83-V96 HydrophobicContact CB-CB 4.32Å; A83-V96 HydrophobicContact CB-CG1 4.25Å; A83-V96 HydrophobicContact CB-CG2 3.81Å
84H88.3Confident83.7Confident105 Ų10553.9 Ų53.949%0.48631%0.309SS..THydrogen-bonded Turntrans-62.3127.5-176.2-174.983.5000112.1Q80 R86 V96Q80-H84 WeakPolarHBondContact O-CB 3.39Å; Q80-H84 PolarHBondContact O-N 3.48Å; H84-R86 PolarHBondContact O-N 3.23Å; H84-V96 HydrophobicContact CB-CB 4.24Å; H84-V96 PolarHBondContact ND1-N 3.42Å; H84-V96 PolarHBondContact ND1-O 2.79Å
85G78.8Confident83.6Confident44 Ų4457.4 Ų57.445%0.45432%0.32SS..THydrogen-bonded Turntrans71.94.1178.100000114.2A83 L94A83-G85 PolarHBondContact O-N 2.85Å; G85-L94 PolarHBondContact N-O 2.84Å
86R81.2Confident83.4Confident130 Ų13055.8 Ų55.849%0.49131%0.313SS..  trans-89.3145.8178.5-65.5-153.2-173.7-176.83111.9L82 A83 H84 L88 L94L82-R86 WeakPolarHBondContact O-CD 3.29Å; L82-R86 WeakPolarHBondContact O-CG 3.49Å; L82-R86 PolarHBondContact O-NE 3.39Å; A83-R86 PolarHBondContact O-N 2.87Å; H84-R86 PolarHBondContact O-N 3.23Å; R86-L88 HydrophobicContact CB-CD1 4.48Å; R86-L88 HydrophobicContact CB-CD2 3.99Å; R86-L88 HydrophobicContact CB-CG 3.91Å; R86-L88 PolarHBondContact O-N 3.4Å; R86-L94 PolarHBondContact O-N 3.37Å
87P78.1Confident83.3Confident80 Ų8061.2 Ų61.252%0.51934%0.336SS..  trans-75.567.3174.429.9-33.3000111.8S92P87-S92 WeakPolarHBondContact CA-O 3.39Å
88L74.1Confident83.2Confident53 Ų5361.4 Ų61.428%0.27733%0.332SS..  trans-81-23.5-175.5-59.3171.6000113.2V41 A83 R86 L94V41-L88 HydrophobicContact CG1-CD1 4.06Å; V41-L88 HydrophobicContact CG1-CD2 4.34Å; A83-L88 HydrophobicContact CB-CD1 3.4Å; R86-L88 HydrophobicContact CB-CD1 4.48Å; R86-L88 HydrophobicContact CB-CD2 3.99Å; R86-L88 HydrophobicContact CB-CG 3.91Å; R86-L88 PolarHBondContact O-N 3.4Å; L88-L94 HydrophobicContact CB-CD1 4.05Å
89L71.3Confident82.8Confident4 Ų459.1 Ų59.12%0.02132%0.321CS..BIsolated β-bridgetrans-125.4115.2178-64.9175.6000108.8I25 Q37 L38 N91 S92 L94I25-L89 HydrophobicContact CG1-CD1 4.38Å; I25-L89 HydrophobicContact CG2-CD1 4.03Å; Q37-L89 HydrophobicContact CB-CD2 3.37Å; Q37-L89 HydrophobicContact CG-CD2 4.29Å; L38-L89 HydrophobicContact CD2-CD1 3.79Å; L38-L89 HydrophobicContact CD2-CG 4.47Å; L38-L89 HydrophobicContact CG-CD1 4.12Å; L89-N91 VanDerWaalsContact C-N 3.26Å; L89-N91 PolarHBondContact O-N 3.43Å; L89-N91 VanDerWaalsContact O-N 3.1Å; L89-S92 WeakPolarHBondContact O-CB 3.27Å; L89-S92 PolarHBondContact O-N 3.34Å; L89-L94 HydrophobicContact CB-CD1 4.28Å; L89-L94 HydrophobicContact CB-CD2 4.45Å; L89-L94 HydrophobicContact CD1-CD1 3.66Å; L89-L94 HydrophobicContact CD1-CD2 4.16Å; L89-L94 HydrophobicContact CD1-CG 4.48Å; L89-L94 HydrophobicContact CG-CD1 3.78Å
90H67.7Low81.8Confident94 Ų9464 Ų6444%0.43536%0.355SS..THydrogen-bonded Turntrans4843.4170.2-57.674000114.5L29 Q37 S92L29-H90 WeakPolarHBondContact CD1-CE1 3.44Å; Q37-H90 PolarHBondContact NE2-CE1 2.93Å; Q37-H90 VanDerWaalsContact NE2-CE1 3.28Å; Q37-H90 PolarHBondContact OE1-CE1 2.77Å; H90-S92 PolarHBondContact O-N 3.06Å
91N65.3Low80.5Confident148 Ų14868.5 Ų68.579%0.79137%0.373SS*.THydrogen-bonded Turntrans61.88.6-178.3-65.4-7.1000116.1L89L89-N91 VanDerWaalsContact C-N 3.26Å; L89-N91 PolarHBondContact O-N 3.43Å; L89-N91 VanDerWaalsContact O-N 3.1Å
92S73.3Confident78.8Confident39 Ų3973.1 Ų73.127%0.27339%0.386SS..BIsolated β-bridgetrans-88.7126175.9-61.60000110.3P87 L89 H90 L94P87-S92 WeakPolarHBondContact CA-O 3.39Å; L89-S92 WeakPolarHBondContact O-CB 3.27Å; L89-S92 PolarHBondContact O-N 3.34Å; H90-S92 PolarHBondContact O-N 3.06Å; S92-L94 PolarHBondContact O-N 2.9Å; S92-L94 VanDerWaalsContact O-N 3.15Å
93A81.1Confident77.3Confident61 Ų6170.5 Ų70.550%0.50437%0.373SS..  trans-69.7108.6176.900000109.9
94L85.1Confident75.9Confident0 Ų073.5 Ų73.50%039%0.393CS..  trans-79144-179.9-60-179.9000111.1V22 I25 L38 G85 R86 L88 L89 S92 V96V22-L94 HydrophobicContact CG1-CB 4.14Å; V22-L94 HydrophobicContact CG1-CD1 3.84Å; V22-L94 HydrophobicContact CG1-CG 4.42Å; I25-L94 HydrophobicContact CG1-CD2 3.92Å; L38-L94 HydrophobicContact CD2-CD1 4.46Å; G85-L94 PolarHBondContact N-O 2.84Å; R86-L94 PolarHBondContact O-N 3.37Å; L88-L94 HydrophobicContact CB-CD1 4.05Å; L89-L94 HydrophobicContact CB-CD1 4.28Å; L89-L94 HydrophobicContact CB-CD2 4.45Å; L89-L94 HydrophobicContact CD1-CD1 3.66Å; L89-L94 HydrophobicContact CD1-CD2 4.16Å; L89-L94 HydrophobicContact CD1-CG 4.48Å; L89-L94 HydrophobicContact CG-CD1 3.78Å; S92-L94 PolarHBondContact O-N 2.9Å; S92-L94 VanDerWaalsContact O-N 3.15Å; L94-V96 HydrophobicContact CB-CG2 4.27Å
95K88.6Confident74.2Confident95 Ų9577 Ų7741%0.41341%0.409SS..EExtended strand (participates in β ladder)trans-94114.9169.2-69.5-177.4-172.9143.60109V22 W23 D24V22-K95 WeakPolarHBondContact CA-O 3.29Å; W23-K95 HydrophobicContact CD2-CB 3.92Å; W23-K95 HydrophobicContact CG-CB 4.15Å; W23-K95 HydrophobicContact CZ2-CB 3.8Å; W23-K95 HydrophobicContact CZ2-CD 4.3Å; W23-K95 PolarHBondContact N-O 3.24Å; W23-K95 VanDerWaalsContact NE1-CB 3.34Å; W23-K95 PolarHBondContact O-N 2.87Å; D24-K95 WeakPolarHBondContact OD2-CD 3.2Å; D24-K95 WeakPolarHBondContact OD2-CE 3.25Å; D24-K95 IonicContact OD2-NZ 2.71Å; D24-K95 PolarHBondContact OD2-NZ 2.87Å
96V89.9Confident73Confident1 Ų182.5 Ų82.51%0.00642%0.421CS..EExtended strand (participates in β ladder)trans-114.6125.1-178.8-173.30000108.7V20 F21 V22 F42 Q80 A83 H84 L94V20-V96 HydrophobicContact CG1-CG1 3.16Å; F21-V96 CarbonylContact O-C 3.59Å; F21-V96 WeakPolarHBondContact O-CA 3.36Å; V22-V96 HydrophobicContact CG1-CG2 4.35Å; V22-V96 HydrophobicContact CG2-CG1 4.38Å; V22-V96 HydrophobicContact CG2-CG2 4.28Å; F42-V96 HydrophobicContact CE1-CG1 4.29Å; F42-V96 HydrophobicContact CZ-CG1 4.34Å; F42-V96 HydrophobicContact CZ-CG2 4.32Å; Q80-V96 HydrophobicContact CB-CG1 4.49Å; Q80-V96 HydrophobicContact CG-CG1 4.49Å; A83-V96 HydrophobicContact CB-CB 4.32Å; A83-V96 HydrophobicContact CB-CG1 4.25Å; A83-V96 HydrophobicContact CB-CG2 3.81Å; H84-V96 HydrophobicContact CB-CB 4.24Å; H84-V96 PolarHBondContact ND1-N 3.42Å; H84-V96 PolarHBondContact ND1-O 2.79Å; L94-V96 HydrophobicContact CB-CG2 4.27Å
97K91.5Very high71.7Confident114 Ų11477.8 Ų77.850%0.49641%0.405SS..EExtended strand (participates in β ladder)trans-145.1139.3179.2-166.3-179.1176.91750111.1F21 W23F21-K97 PolarHBondContact N-O 3.23Å; F21-K97 PolarHBondContact O-N 3.05Å; W23-K97 HydrophobicContact CH2-CB 3.39Å; W23-K97 HydrophobicContact CH2-CD 3.88Å; W23-K97 HydrophobicContact CH2-CG 4.27Å; W23-K97 HydrophobicContact CZ3-CB 3.59Å
98L89.9Confident70.4Confident44 Ų4476.6 Ų76.623%0.2340%0.399CS..EExtended strand (participates in β ladder)trans-61.1143.1170.5-75.6166.5000110T19 V20 A76 Q80 S100T19-L98 CarbonylContact O-C 3.47Å; T19-L98 WeakPolarHBondContact O-CA 3.41Å; V20-L98 HydrophobicContact CG2-CD2 3.87Å; A76-L98 HydrophobicContact CB-CD2 3.79Å; Q80-L98 HydrophobicContact CB-CG 4.22Å; Q80-L98 HydrophobicContact CG-CG 4.49Å; L98-S100 PolarHBondContact O-N 3.42Å
99S82.8Confident69.4Low16 Ų1676.5 Ų76.511%0.11241%0.41CS..  trans-62.9125.4175.3-176.10000110.2T19 F21 K101T19-S99 PolarHBondContact O-N 3.34Å; F21-S99 VanDerWaalsContact CE2-CB 3.49Å; F21-S99 WeakPolarHBondContact CE2-OG 3.47Å; S99-K101 PolarHBondContact OG-N 3.46Å; S99-K101 VanDerWaalsContact OG-N 3.13Å; S99-K101 PolarHBondContact OG-O 3.26Å
100S71.8Confident68.9Low103 Ų10385.5 Ų85.572%0.7245%0.449SS*.  trans-99.1-4161.466.20000112.3L98L98-S100 PolarHBondContact O-N 3.42Å
101K64.5Low69.2Low152 Ų15287 Ų8766%0.66146%0.461SS*.SBendtrans-88.9138.8-177.9-69-170.3175.2-176.50109.8N16 S99 T103N16-K101 PolarHBondContact ND2-O 3.13Å; N16-K101 PolarHBondContact OD1-O 2.98Å; S99-K101 PolarHBondContact OG-N 3.46Å; S99-K101 VanDerWaalsContact OG-N 3.13Å; S99-K101 PolarHBondContact OG-O 3.26Å; K101-T103 PolarHBondContact O-N 3.39Å
102Q56.5Low70.3Confident175 Ų17581.8 Ų81.882%0.81844%0.438SS*.  trans-49.9136.9168.2-97.8175.710.900110
103T57.1Low71.2Confident22 Ų2283.1 Ų83.114%0.13545%0.446CS..  trans-44.8134.6171.127.80000109.9M14 N16 K101 H105 L107 S108M14-T103 HydrophobicContact CE-CG2 4.05Å; M14-T103 WeakPolarHBondContact O-CG2 3.37Å; N16-T103 PolarHBondContact OD1-N 2.78Å; K101-T103 PolarHBondContact O-N 3.39Å; T103-H105 PolarHBondContact O-N 2.9Å; T103-L107 HydrophobicContact CG2-CB 4.42Å; T103-S108 PolarHBondContact O-OG 3.42Å; T103-S108 PolarHBondContact OG1-OG 3.47Å
104P56.3Low71.9Confident63 Ų6380.3 Ų80.341%0.40942%0.422SS..  trans-51.4144.6175.1-21.828.7000110.6F106 L107 S108P104-F106 HydrophobicContact CB-CD1 3.44Å; P104-F106 VanDerWaalsContact CB-CD1 3.44Å; P104-F106 HydrophobicContact CB-CE1 3.21Å; P104-F106 HydrophobicContact CB-CG 4.4Å; P104-F106 HydrophobicContact CB-CZ 4.03Å; P104-F106 HydrophobicContact CG-CD1 4.39Å; P104-F106 HydrophobicContact CG-CE1 3.69Å; P104-F106 HydrophobicContact CG-CZ 4.12Å; P104-F106 PolarHBondContact O-N 3.34Å; P104-L107 WeakPolarHBondContact O-CA 3.33Å; P104-L107 PolarHBondContact O-N 2.98Å; P104-S108 PolarHBondContact O-N 3.49Å; P104-S108 VanDerWaalsContact O-N 3.09Å; P104-S108 PolarHBondContact O-OG 3.31Å
105H52.9Low72.4Confident178 Ų17883.6 Ų83.682%0.82445%0.445SS*.THydrogen-bonded Turntrans-53.9-27.6-174.8-166.1-81.2000114.1T103 L107 S108T103-H105 PolarHBondContact O-N 2.9Å; H105-L107 VanDerWaalsContact C-N 3.3Å; H105-L107 PolarHBondContact O-N 3.39Å; H105-S108 PolarHBondContact O-N 3.09Å
106F54.4Low72.7Confident161 Ų16181.5 Ų81.571%0.70644%0.437SS*.THydrogen-bonded Turntrans-71.6-20.1175.874.3-95.8000114.2P104P104-F106 HydrophobicContact CB-CD1 3.44Å; P104-F106 VanDerWaalsContact CB-CD1 3.44Å; P104-F106 HydrophobicContact CB-CE1 3.21Å; P104-F106 HydrophobicContact CB-CG 4.4Å; P104-F106 HydrophobicContact CB-CZ 4.03Å; P104-F106 HydrophobicContact CG-CD1 4.39Å; P104-F106 HydrophobicContact CG-CE1 3.69Å; P104-F106 HydrophobicContact CG-CZ 4.12Å; P104-F106 PolarHBondContact O-N 3.34Å
107L53.9Low73.1Confident30 Ų3083.8 Ų83.816%0.15746%0.456CS..THydrogen-bonded Turntrans-92.5-27.9167.7-62.9-179.2000110.8M14 T103 P104 H105 G109M14-L107 HydrophobicContact CE-CB 4.16Å; M14-L107 WeakPolarHBondContact CE-O 3.33Å; M14-L107 HydrophobicContact SD-CB 4.31Å; T103-L107 HydrophobicContact CG2-CB 4.42Å; P104-L107 WeakPolarHBondContact O-CA 3.33Å; P104-L107 PolarHBondContact O-N 2.98Å; H105-L107 VanDerWaalsContact C-N 3.3Å; H105-L107 PolarHBondContact O-N 3.39Å; L107-G109 PolarHBondContact O-N 3.32Å
108S50.9Low73.3Confident56 Ų5682 Ų8239%0.39245%0.446SS..  trans-66.419-176.5-580000116.1T103 P104 H105T103-S108 PolarHBondContact O-OG 3.42Å; T103-S108 PolarHBondContact OG1-OG 3.47Å; P104-S108 PolarHBondContact O-N 3.49Å; P104-S108 VanDerWaalsContact O-N 3.09Å; P104-S108 PolarHBondContact O-OG 3.31Å; H105-S108 PolarHBondContact O-N 3.09Å
109G52.9Low73.6Confident50 Ų5080 Ų8052%0.51544%0.436SS..SBendtrans-107.6100.3-178.100000112.8L107L107-G109 PolarHBondContact O-N 3.32Å
110K61.5Low74.3Confident193 Ų19381.6 Ų81.684%0.83944%0.443SS*.  trans59.8149.4166.9-62.4176.6177.9177.70114.9A112K110-A112 PolarHBondContact O-N 3.49Å
111N74Confident75.4Confident126 Ų12681.3 Ų81.367%0.67443%0.43SS*.  trans-67.371.1173.6-77-17000110.6K11K11-N111 HydrophobicContact CD-CB 4.44Å
112A88.1Confident76.9Confident38 Ų3874.1 Ų74.131%0.31440%0.399SS..PPolyproline II helixtrans-73.6138.5-175.300000110.4K11 V12 K110K11-A112 WeakPolarHBondContact CA-O 3.41Å; V12-A112 HydrophobicContact CG2-CB 4.27Å; V12-A112 PolarHBondContact N-O 3.24Å; K110-A112 PolarHBondContact O-N 3.49Å
113P92.4Very high78.8Confident67 Ų6765.8 Ų65.844%0.43536%0.36SS..BIsolated β-bridgetrans-64.6159.2170.631.3-35.7000110.1V214P113-V214 HydrophobicContact CB-CG1 3.59Å; P113-V214 HydrophobicContact CG-CG1 3.89Å
114L94.8Very high80.7Confident3 Ų367.9 Ų67.92%0.01637%0.37CS..PPolyproline II helixtrans-63.8157.5172.3-69.4174.5000111.4F10 K11 V12 Y49 Y71 R118 L122 V214F10-L114 HydrophobicContact CB-CD1 4.25Å; F10-L114 HydrophobicContact CD1-CD1 4.22Å; F10-L114 PolarHBondContact O-N 3.11Å; F10-L114 VanDerWaalsContact O-N 3.08Å; K11-L114 WeakPolarHBondContact O-CD2 3.41Å; V12-L114 HydrophobicContact CG2-CD2 4.35Å; Y49-L114 HydrophobicContact CD2-CD2 3.95Å; Y49-L114 HydrophobicContact CE2-CD2 3.78Å; Y71-L114 HydrophobicContact CD1-CD1 4.39Å; Y71-L114 HydrophobicContact CE1-CD1 3.62Å; Y71-L114 HydrophobicContact CE1-CD2 3.77Å; Y71-L114 HydrophobicContact CE1-CG 4.34Å; L114-R118 HydrophobicContact CB-CB 4.02Å; L114-R118 HydrophobicContact CD1-CB 4.41Å; L114-R118 HydrophobicContact CD2-CB 4.29Å; L114-R118 HydrophobicContact CG-CB 4.46Å; L114-L122 HydrophobicContact CD1-CD2 3.92Å; L114-V214 WeakPolarHBondContact O-CG1 3.45Å
115S94.9Very high82.5Confident69 Ų6970 Ų7048%0.48337%0.374SS..PPolyproline II helixtrans-66.6158168.468.30000110.2A117 R118 C119S115-A117 VanDerWaalsContact C-N 3.31Å; S115-A117 PolarHBondContact O-N 3.38Å; S115-R118 PolarHBondContact O-N 2.9Å; S115-R118 WeakPolarHBondContact OG-CG 3.36Å; S115-R118 PolarHBondContact OG-N 2.99Å; S115-C119 PolarHBondContact O-N 2.9Å
116H96.5Very high84.5Confident51 Ų5163.3 Ų63.324%0.23634%0.342CS..Hα-helixtrans-47.5-53.5177177.798.5000112.1R118 C119 L120 E210 V214H116-R118 VanDerWaalsContact C-N 3.33Å; H116-R118 PolarHBondContact O-N 2.8Å; H116-C119 WeakPolarHBondContact O-CB 3.29Å; H116-C119 PolarHBondContact O-N 2.72Å; H116-C119 VanDerWaalsContact O-N 3.15Å; H116-L120 WeakPolarHBondContact NE2-CD1 3.15Å; H116-L120 WeakPolarHBondContact O-CG 3.44Å; H116-L120 PolarHBondContact O-N 3.06Å; H116-L120 VanDerWaalsContact O-N 3.11Å; H116-E210 HydrophobicContact CB-CB 4.1Å; H116-E210 HydrophobicContact CB-CG 4.28Å; H116-V214 HydrophobicContact CB-CG2 4.06Å
117A96.6Very high86.4Confident49 Ų4956.1 Ų56.141%0.40531%0.311SS..Hα-helixtrans-58.6-42179.900000112.8S115 C119 L120 E121S115-A117 VanDerWaalsContact C-N 3.31Å; S115-A117 PolarHBondContact O-N 3.38Å; A117-C119 PolarHBondContact O-N 3.27Å; A117-L120 PolarHBondContact O-N 3.26Å; A117-E121 WeakPolarHBondContact O-CG 3.47Å; A117-E121 PolarHBondContact O-N 2.62Å
118R96.1Very high88.3Confident77 Ų7755.9 Ų55.929%0.29132%0.316SS..Hα-helixtrans-68.5-33.3178.6-70.4-53.4-159.2-168.32112.6Y49 Y71 L114 S115 H116 E121 L122Y49-R118 PolarHBondContact O-NH2 2.81Å; Y71-R118 WeakPolarHBondContact OH-CD 3.32Å; L114-R118 HydrophobicContact CB-CB 4.02Å; L114-R118 HydrophobicContact CD1-CB 4.41Å; L114-R118 HydrophobicContact CD2-CB 4.29Å; L114-R118 HydrophobicContact CG-CB 4.46Å; S115-R118 PolarHBondContact O-N 2.9Å; S115-R118 WeakPolarHBondContact OG-CG 3.36Å; S115-R118 PolarHBondContact OG-N 2.99Å; H116-R118 VanDerWaalsContact C-N 3.33Å; H116-R118 PolarHBondContact O-N 2.8Å; R118-E121 VanDerWaalsContact CD-OE2 3.25Å; R118-E121 WeakPolarHBondContact CD-OE2 3.32Å; R118-E121 IonicContact CZ-OE2 3.91Å; R118-E121 IonicContact NE-OE2 3.55Å; R118-E121 IonicContact NH1-OE1 3.88Å; R118-E121 IonicContact NH1-OE2 3.4Å; R118-E121 PolarHBondContact NH1-OE2 3.12Å; R118-L122 VanDerWaalsContact O-CB 3.27Å; R118-L122 WeakPolarHBondContact O-CB 3.09Å; R118-L122 PolarHBondContact O-N 3.37Å
119C97.1Very high90.2Very high1 Ų160.8 Ų60.81%0.00733%0.33CS..Hα-helixtrans-61.5-47.6170.9-66.60000111.2F10 S115 H116 A117 L122 A123 L213 F217F10-C119 HydrophobicContact CD1-CB 4.02Å; F10-C119 HydrophobicContact CE1-CB 4.41Å; F10-C119 WeakPolarHBondContact CE1-O 3.4Å; S115-C119 PolarHBondContact O-N 2.9Å; H116-C119 WeakPolarHBondContact O-CB 3.29Å; H116-C119 PolarHBondContact O-N 2.72Å; H116-C119 VanDerWaalsContact O-N 3.15Å; A117-C119 PolarHBondContact O-N 3.27Å; C119-L122 PolarHBondContact O-N 3.12Å; C119-A123 VanDerWaalsContact O-CB 3.28Å; C119-A123 WeakPolarHBondContact O-CB 3.4Å; C119-A123 PolarHBondContact O-N 3.04Å; C119-L213 HydrophobicContact CB-CD2 4.47Å; C119-F217 HydrophobicContact CB-CB 4.46Å; C119-F217 HydrophobicContact CB-CD2 3.75Å; C119-F217 HydrophobicContact CB-CE2 4.16Å; C119-F217 HydrophobicContact CB-CG 4.09Å
120L96.7Very high92.2Very high49 Ų4964 Ų6426%0.25734%0.336SS..Hα-helixtrans-60.6-49.2179-59.4-173.9000111.9H116 A117 L122 A123 N124 W132 L213H116-L120 WeakPolarHBondContact NE2-CD1 3.15Å; H116-L120 WeakPolarHBondContact O-CG 3.44Å; H116-L120 PolarHBondContact O-N 3.06Å; H116-L120 VanDerWaalsContact O-N 3.11Å; A117-L120 PolarHBondContact O-N 3.26Å; L120-L122 PolarHBondContact O-N 3.46Å; L120-A123 PolarHBondContact O-N 3.49Å; L120-N124 WeakPolarHBondContact O-CB 3.1Å; L120-N124 PolarHBondContact O-N 3.15Å; L120-N124 PolarHBondContact O-ND2 2.89Å; L120-W132 HydrophobicContact CD2-CH2 3.32Å; L120-W132 HydrophobicContact CD2-CZ2 3.68Å; L120-L213 HydrophobicContact CD2-CD1 4.44Å; L120-L213 HydrophobicContact CD2-CD2 4.43Å
121E95.9Very high93.8Very high97 Ų9755 Ų5545%0.45330%0.297SS..Hα-helixtrans-58.9-46.8179.7-73.7170-168.700111.7A117 R118 N124 H125A117-E121 WeakPolarHBondContact O-CG 3.47Å; A117-E121 PolarHBondContact O-N 2.62Å; R118-E121 VanDerWaalsContact CD-OE2 3.25Å; R118-E121 WeakPolarHBondContact CD-OE2 3.32Å; R118-E121 IonicContact CZ-OE2 3.91Å; R118-E121 IonicContact NE-OE2 3.55Å; R118-E121 IonicContact NH1-OE1 3.88Å; R118-E121 IonicContact NH1-OE2 3.4Å; R118-E121 PolarHBondContact NH1-OE2 3.12Å; E121-N124 PolarHBondContact O-N 2.95Å; E121-H125 WeakPolarHBondContact O-CB 3.24Å; E121-H125 PolarHBondContact O-N 3.31Å
122L96.2Very high94.9Very high2 Ų250 Ų501%0.0127%0.269CS..Hα-helixtrans-67-44.6-178.6-169.565.8000111.8L8 F10 P47 Y71 L114 R118 C119 L120 H125 Y126 L222L8-L122 HydrophobicContact CD2-CD1 4.5Å; F10-L122 HydrophobicContact CD1-CD2 4.05Å; F10-L122 HydrophobicContact CE1-CB 4.03Å; F10-L122 HydrophobicContact CE1-CD2 4Å; F10-L122 HydrophobicContact CE1-CG 4.25Å; F10-L122 HydrophobicContact CZ-CD2 4.46Å; P47-L122 HydrophobicContact CB-CD1 4.31Å; P47-L122 HydrophobicContact CG-CD1 3.98Å; Y71-L122 HydrophobicContact CD1-CD1 4.23Å; Y71-L122 HydrophobicContact CD1-CD2 3.96Å; Y71-L122 HydrophobicContact CD2-CD1 3.63Å; Y71-L122 HydrophobicContact CE1-CD1 4.46Å; Y71-L122 HydrophobicContact CE1-CD2 4.09Å; Y71-L122 HydrophobicContact CE2-CD1 3.9Å; Y71-L122 HydrophobicContact CG-CD1 3.8Å; Y71-L122 HydrophobicContact CG-CD2 4.33Å; L114-L122 HydrophobicContact CD1-CD2 3.92Å; R118-L122 VanDerWaalsContact O-CB 3.27Å; R118-L122 WeakPolarHBondContact O-CB 3.09Å; R118-L122 PolarHBondContact O-N 3.37Å; C119-L122 PolarHBondContact O-N 3.12Å; L120-L122 PolarHBondContact O-N 3.46Å; L122-H125 PolarHBondContact O-N 2.99Å; L122-Y126 HydrophobicContact CD1-CD2 3.98Å; L122-Y126 HydrophobicContact CD1-CE2 3.54Å; L122-Y126 HydrophobicContact CG-CD2 4.27Å; L122-Y126 HydrophobicContact CG-CE2 4.26Å; L122-Y126 WeakPolarHBondContact O-CD2 3.43Å; L122-Y126 PolarHBondContact O-N 3.45Å; L122-L222 HydrophobicContact CG-CD1 4.43Å
123A96.4Very high95.3Very high0 Ų051.3 Ų51.30%027%0.273CS..Hα-helixtrans-62.6-45.6176.900000111.1F10 C119 L120 H125 Y126 L127 W132 F217F10-A123 HydrophobicContact CE1-CB 4.15Å; F10-A123 HydrophobicContact CZ-CB 4.15Å; C119-A123 VanDerWaalsContact O-CB 3.28Å; C119-A123 WeakPolarHBondContact O-CB 3.4Å; C119-A123 PolarHBondContact O-N 3.04Å; L120-A123 PolarHBondContact O-N 3.49Å; A123-H125 VanDerWaalsContact C-N 3.32Å; A123-H125 PolarHBondContact O-N 2.7Å; A123-Y126 PolarHBondContact O-N 3.34Å; A123-L127 WeakPolarHBondContact O-CA 3.4Å; A123-L127 VanDerWaalsContact O-CB 3.24Å; A123-L127 WeakPolarHBondContact O-CB 3.44Å; A123-L127 PolarHBondContact O-N 3.28Å; A123-W132 HydrophobicContact CB-CD2 4.34Å; A123-W132 HydrophobicContact CB-CG 4.47Å; A123-W132 HydrophobicContact CB-CZ2 4.23Å; A123-F217 HydrophobicContact CB-CE1 3.87Å; A123-F217 HydrophobicContact CB-CZ 3.97Å
124N95.8Very high95.5Very high65 Ų6550.6 Ų50.635%0.34827%0.269SS..Hα-helixtrans-66.6-33.2178.8-72-21.7000112.8L120 E121 G128 W132L120-N124 WeakPolarHBondContact O-CB 3.1Å; L120-N124 PolarHBondContact O-N 3.15Å; L120-N124 PolarHBondContact O-ND2 2.89Å; E121-N124 PolarHBondContact O-N 2.95Å; N124-G128 WeakPolarHBondContact O-CA 3.44Å; N124-G128 PolarHBondContact O-N 2.95Å; N124-G128 VanDerWaalsContact O-N 3.08Å; N124-W132 PolarHBondContact OD1-NE1 2.93Å
125H94.3Very high95.6Very high108 Ų10854.4 Ų54.450%0.529%0.29SS..Hα-helixtrans-63.1-44.9176.7-177.487.4000112.1E121 L122 A123E121-H125 WeakPolarHBondContact O-CB 3.24Å; E121-H125 PolarHBondContact O-N 3.31Å; L122-H125 PolarHBondContact O-N 2.99Å; A123-H125 VanDerWaalsContact C-N 3.32Å; A123-H125 PolarHBondContact O-N 2.7Å
126Y94.2Very high95.7Very high37 Ų3755.2 Ų55.215%0.14529%0.288CS..Hα-helixtrans-93.7-36.5-174.6-71.9-63.5000114.7L8 P47 H75 L122 A123 L222 L224 V230L8-Y126 HydrophobicContact CD2-CD2 4.49Å; L8-Y126 HydrophobicContact CD2-CE2 3.44Å; L8-Y126 VanDerWaalsContact CD2-CE2 3.44Å; L8-Y126 VanDerWaalsContact CD2-OH 3.27Å; L8-Y126 WeakPolarHBondContact CD2-OH 3.22Å; P47-Y126 WeakPolarHBondContact CD-OH 3.44Å; P47-Y126 HydrophobicContact CG-CE2 3.75Å; P47-Y126 WeakPolarHBondContact CG-OH 3.43Å; H75-Y126 PolarHBondContact CE1-OH 3.05Å; H75-Y126 VanDerWaalsContact CE1-OH 3.27Å; L122-Y126 HydrophobicContact CD1-CD2 3.98Å; L122-Y126 HydrophobicContact CD1-CE2 3.54Å; L122-Y126 HydrophobicContact CG-CD2 4.27Å; L122-Y126 HydrophobicContact CG-CE2 4.26Å; L122-Y126 WeakPolarHBondContact O-CD2 3.43Å; L122-Y126 PolarHBondContact O-N 3.45Å; A123-Y126 PolarHBondContact O-N 3.34Å; Y126-L222 HydrophobicContact CD2-CD1 3.57Å; Y126-L222 HydrophobicContact CE2-CD1 4.32Å; Y126-L222 HydrophobicContact CG-CD1 4.18Å; Y126-L224 HydrophobicContact CD1-CD2 3.62Å; Y126-L224 HydrophobicContact CE1-CD1 3.86Å; Y126-L224 HydrophobicContact CE1-CD2 3.48Å; Y126-L224 VanDerWaalsContact CE1-CD2 3.48Å; Y126-L224 HydrophobicContact CE1-CG 4.34Å; Y126-L224 HydrophobicContact CE2-CD2 4.5Å; Y126-L224 HydrophobicContact CG-CD2 4.23Å; Y126-L224 WeakPolarHBondContact OH-CD1 3.42Å; Y126-V230 HydrophobicContact CD1-CG2 3.92Å; Y126-V230 HydrophobicContact CG-CG2 4.43Å
127L94.5Very high95.8Very high10 Ų1056.2 Ų56.25%0.05229%0.294CS..Hα-helixtrans-98.9-19.4-174.3-50.5178.8000111.6A123 G131 W132 F172 Y175 L222 V230 V232A123-L127 WeakPolarHBondContact O-CA 3.4Å; A123-L127 VanDerWaalsContact O-CB 3.24Å; A123-L127 WeakPolarHBondContact O-CB 3.44Å; A123-L127 PolarHBondContact O-N 3.28Å; L127-G131 VanDerWaalsContact O-CA 3.26Å; L127-G131 WeakPolarHBondContact O-CA 3.45Å; L127-W132 HydrophobicContact CD1-CB 4.31Å; L127-W132 HydrophobicContact CD1-CG 4.48Å; L127-F172 HydrophobicContact CD1-CD1 3.65Å; L127-F172 HydrophobicContact CD1-CE1 3.5Å; L127-F172 VanDerWaalsContact CD1-CE1 3.5Å; L127-Y175 HydrophobicContact CD2-CE2 3.91Å; L127-L222 HydrophobicContact CD1-CD2 4.24Å; L127-L222 HydrophobicContact CD2-CD2 4.11Å; L127-L222 HydrophobicContact CG-CD2 4.38Å; L127-V230 HydrophobicContact CD2-CG1 4.16Å; L127-V232 HydrophobicContact CD1-CG2 4.1Å; L127-V232 HydrophobicContact CD2-CG2 3.53Å; L127-V232 HydrophobicContact CG-CG2 4.48Å
128G94.3Very high95.8Very high25 Ų2556 Ų5626%0.25829%0.288SS..  trans76.8162-168.200000112.1N124 N130 G131N124-G128 WeakPolarHBondContact O-CA 3.44Å; N124-G128 PolarHBondContact O-N 2.95Å; N124-G128 VanDerWaalsContact O-N 3.08Å; G128-N130 PolarHBondContact O-N 3.03Å; G128-G131 PolarHBondContact O-N 3.17Å
129F91.5Very high95.8Very high159 Ų15955.2 Ų55.270%0.69729%0.289SS*.THydrogen-bonded Turntrans-61.7-24.8-178.764-85.7000114
130N93.7Very high95.7Very high119 Ų11961.6 Ų61.664%0.63632%0.317SS*.THydrogen-bonded Turntrans-100.76.4175.3-69.7-21.5000113G128 W132G128-N130 PolarHBondContact O-N 3.03Å; N130-W132 VanDerWaalsContact C-N 3.34Å
131G95.1Very high95.6Very high2 Ų262.9 Ų62.92%0.02132%0.322CS..SBendtrans-81.8-15.2-177.800000113.9L127 G128L127-G131 VanDerWaalsContact O-CA 3.26Å; L127-G131 WeakPolarHBondContact O-CA 3.45Å; G128-G131 PolarHBondContact O-N 3.17Å
132W97.1Very high95.3Very high23 Ų2361.1 Ų61.19%0.08732%0.315CS..  trans-153.5156.6-175.368.6-78000110.8L120 A123 N124 L127 N130 L170 S171 F172 F217L120-W132 HydrophobicContact CD2-CH2 3.32Å; L120-W132 HydrophobicContact CD2-CZ2 3.68Å; A123-W132 HydrophobicContact CB-CD2 4.34Å; A123-W132 HydrophobicContact CB-CG 4.47Å; A123-W132 HydrophobicContact CB-CZ2 4.23Å; N124-W132 PolarHBondContact OD1-NE1 2.93Å; L127-W132 HydrophobicContact CD1-CB 4.31Å; L127-W132 HydrophobicContact CD1-CG 4.48Å; N130-W132 VanDerWaalsContact C-N 3.34Å; W132-L170 HydrophobicContact CE3-CD2 4.1Å; W132-L170 HydrophobicContact CZ3-CD2 3.9Å; W132-S171 CarbonylContact C-O 3.5Å; W132-S171 WeakPolarHBondContact CA-O 3.32Å; W132-F172 HydrophobicContact CB-CD1 3.49Å; W132-F172 VanDerWaalsContact CB-CD1 3.49Å; W132-F172 HydrophobicContact CB-CE1 3.49Å; W132-F172 VanDerWaalsContact CB-CE1 3.49Å; W132-F172 HydrophobicContact CG-CE1 4.24Å; W132-F217 HydrophobicContact CD2-CZ 4.06Å; W132-F217 HydrophobicContact CE3-CE2 4.38Å; W132-F217 AromaticContact CE3-CZ 3.66Å; W132-F217 HydrophobicContact CE3-CZ 3.66Å; W132-F217 HydrophobicContact CH2-CE2 4.05Å; W132-F217 AromaticContact CH2-CZ 3.83Å; W132-F217 HydrophobicContact CH2-CZ 3.83Å; W132-F217 HydrophobicContact CZ2-CZ 4.19Å; W132-F217 AromaticContact CZ3-CE2 3.83Å; W132-F217 HydrophobicContact CZ3-CE2 3.83Å; W132-F217 AromaticContact CZ3-CZ 3.54Å; W132-F217 HydrophobicContact CZ3-CZ 3.54Å
133T97.1Very high94.6Very high64 Ų6466.2 Ų66.239%0.39335%0.346SS..EExtended strand (participates in β ladder)trans-133.1160.9174.366.40000110.8L170 S171T133-L170 WeakPolarHBondContact O-CA 3.31Å; T133-S171 PolarHBondContact N-O 3.43Å; T133-S171 PolarHBondContact O-N 3.01Å; T133-S171 WeakPolarHBondContact OG1-CB 3.48Å
134S96.8Very high93Very high52 Ų5268.3 Ų68.336%0.36436%0.361SS..EExtended strand (participates in β ladder)trans-130.2129.4172.161.90000110.9K169S134-K169 CarbonylContact C-O 3.58Å; S134-K169 VanDerWaalsContact CA-O 3.26Å; S134-K169 WeakPolarHBondContact CA-O 3.43Å
135D97.3Very high90.9Very high84 Ų8472.4 Ų72.445%0.44938%0.383SS..EExtended strand (participates in β ladder)trans-125130.5-178.1-60.4-69.2000110.4I137 M168 K169D135-I137 PolarHBondContact O-N 3.12Å; D135-M168 VanDerWaalsContact C-SD 3.53Å; D135-M168 CarbonylContact O-C 3.53Å; D135-M168 WeakPolarHBondContact O-CA 3.42Å; D135-M168 VanDerWaalsContact O-SD 3.33Å; D135-K169 HydrophobicContact CB-CB 4.48Å; D135-K169 PolarHBondContact N-O 2.9Å; D135-K169 PolarHBondContact O-N 2.85Å
136I97.6Very high88.8Confident85 Ų8575 Ų7544%0.43640%0.395SS..EExtended strand (participates in β ladder)trans-79.1109.6174.4-60.3165.7000107.4L139 M168 R209I136-L139 HydrophobicContact CG2-CB 4.06Å; I136-M168 HydrophobicContact CG1-CE 3.62Å; I136-M168 HydrophobicContact CG1-SD 3.86Å; I136-R209 HydrophobicContact CD1-CG 4.27Å
137I97.2Very high86.5Confident73 Ų7382.8 Ų82.837%0.37443%0.433SS..EExtended strand (participates in β ladder)trans-75.7-44.3174.1-61171.1000109.4D135 I167 K169 R180D135-I137 PolarHBondContact O-N 3.12Å; I137-I167 HydrophobicContact CB-CB 4.32Å; I137-I167 HydrophobicContact CB-CG2 4.14Å; I137-I167 HydrophobicContact CD1-CG2 3.98Å; I137-I167 PolarHBondContact N-O 2.93Å; I137-K169 HydrophobicContact CD1-CB 3.74Å; I137-K169 HydrophobicContact CG1-CB 4.01Å; I137-R180 HydrophobicContact CD1-CG 3.99Å
138T96.7Very high84.2Confident44 Ų4485 Ų8527%0.2746%0.458SS..EExtended strand (participates in β ladder)trans-147.2138.2-176.8-59.80000110.3K140 C166 I167T138-K140 HydrophobicContact CG2-CD 3.82Å; T138-K140 HydrophobicContact CG2-CG 3.72Å; T138-C166 CarbonylContact O-C 3.58Å; T138-C166 WeakPolarHBondContact O-CA 3.48Å; T138-C166 PolarHBondContact O-SG 3.33Å; T138-I167 PolarHBondContact N-O 2.94Å; T138-I167 PolarHBondContact O-N 2.87Å
139L96.7Very high81.9Confident60 Ų6092.5 Ų92.531%0.31449%0.486SS..EExtended strand (participates in β ladder)trans-139112.9167.5176.464.2000107.3I136 F164 G165 C166 V208 R209I136-L139 HydrophobicContact CG2-CB 4.06Å; L139-F164 HydrophobicContact CD1-CD1 4.35Å; L139-G165 WeakPolarHBondContact CA-O 3.45Å; L139-C166 HydrophobicContact CD1-CB 3.94Å; L139-V208 HydrophobicContact CD1-CG1 3.59Å; L139-R209 HydrophobicContact CD1-CG 4.46Å
140K95.3Very high79.6Confident136 Ų13692.3 Ų92.359%0.59149%0.492SS*.EExtended strand (participates in β ladder)trans-131.4139-176.3-71.4-178.4179.2-178.10110.6T138 L142 F164 G165T138-K140 HydrophobicContact CG2-CD 3.82Å; T138-K140 HydrophobicContact CG2-CG 3.72Å; K140-L142 HydrophobicContact CB-CD2 4.38Å; K140-F164 CarbonylContact O-C 3.56Å; K140-F164 WeakPolarHBondContact O-CA 3.1Å; K140-F164 WeakPolarHBondContact O-CD1 3.38Å; K140-G165 PolarHBondContact N-O 3.35Å; K140-G165 PolarHBondContact O-N 3.2Å
141E94.1Very high77.4Confident76 Ų7695.7 Ų95.736%0.35551%0.505SS..EExtended strand (participates in β ladder)trans-74.2132.8160.9-170.7167.6-15100107.4L162 R163 F164 R201E141-L162 WeakPolarHBondContact OE1-CD2 2.94Å; E141-R163 CarbonylContact C-O 3.55Å; E141-R163 WeakPolarHBondContact CA-O 3.3Å; E141-F164 HydrophobicContact CB-CD1 4.12Å; E141-F164 HydrophobicContact CB-CE1 3.58Å; E141-F164 HydrophobicContact CB-CZ 3.84Å; E141-F164 HydrophobicContact CG-CE1 4.11Å; E141-F164 HydrophobicContact CG-CE2 4.25Å; E141-F164 HydrophobicContact CG-CZ 3.84Å; E141-R201 IonicContact OE1-CZ 3.72Å; E141-R201 IonicContact OE1-NH1 3.02Å; E141-R201 PolarHBondContact OE1-NH1 2.83Å; E141-R201 IonicContact OE2-CZ 3Å; E141-R201 IonicContact OE2-NH1 2.71Å; E141-R201 PolarHBondContact OE2-NH1 3.35Å; E141-R201 IonicContact OE2-NH2 2.68Å; E141-R201 PolarHBondContact OE2-NH2 2.84Å
142L90.3Very high75.1Confident59 Ų59103.7 Ų103.731%0.30954%0.541SS..  trans-106.2113.2-179.3-56.2178.5000106.7K140 R163 V184K140-L142 HydrophobicContact CB-CD2 4.38Å; L142-R163 HydrophobicContact CB-CB 4.13Å; L142-R163 HydrophobicContact CB-CG 4.01Å; L142-R163 HydrophobicContact CD1-CG 4.14Å; L142-R163 PolarHBondContact N-O 3.08Å; L142-R163 WeakPolarHBondContact O-CB 3.03Å; L142-V184 HydrophobicContact CD1-CG1 3.91Å; L142-V184 HydrophobicContact CD1-CG2 4.27Å
143T81.4Confident72.7Confident109 Ų109111.4 Ų111.467%0.66958%0.578SS**  trans-71.2141.6168.646.70000108.6D145T143-D145 PolarHBondContact O-N 3.03Å; T143-D145 PolarHBondContact OG1-OD1 3.37Å
144S62.1Low70.1Confident44 Ų44114.9 Ų114.931%0.30859%0.594SS.*  trans-79.8109.3166.1-136.50000104.7E146S144-E146 PolarHBondContact O-N 2.84Å
145D51.1Low67.8Low151 Ų151119.5 Ų119.581%0.80762%0.62SS**SBendtrans-70.17.1174.8-61.5-22.7000112.2T143 E147T143-D145 PolarHBondContact O-N 3.03Å; T143-D145 PolarHBondContact OG1-OD1 3.37Å; D145-E147 PolarHBondContact O-N 3.3Å
146E50.7Low65.6Low164 Ų164118.3 Ų118.377%0.76663%0.628SS**  trans-84.655.4167.9-64.1177.3169.100109.8S144 G148S144-E146 PolarHBondContact O-N 2.84Å; E146-G148 PolarHBondContact O-N 3.26Å; E146-G148 VanDerWaalsContact O-N 3.12Å
147E45.2Very low63.8Low199 Ų199116.6 Ų116.693%0.9363%0.631SS**  trans-77.674.8154.9-76.1-178.5176.100107.1D145D145-E147 PolarHBondContact O-N 3.3Å
148G47.8Very low62.5Low56 Ų56116.4 Ų116.458%0.57764%0.64SS**SBendtrans-151.496.7177.600000109E146E146-G148 PolarHBondContact O-N 3.26Å; E146-G148 VanDerWaalsContact O-N 3.12Å
149E45.1Very low61.8Low184 Ų184123.5 Ų123.586%0.8666%0.662SS**SBendtrans62.288.3158.4-57175.4-176.700115.3
150D44.5Very low61.1Low154 Ų154123.8 Ų123.882%0.82466%0.662SS**  trans-179.261.9139.3-84.7-21.9000109E152D150-E152 PolarHBondContact O-N 3.42Å
151E47.2Very low60.8Low191 Ų191121.9 Ų121.989%0.89365%0.654SS**  trans-76.767.5158.3-69.6-172169.800108.5E153E151-E153 VanDerWaalsContact C-N 3.35Å; E151-E153 PolarHBondContact O-N 2.95Å; E151-E153 VanDerWaalsContact O-N 3.14Å
152E46Very low60.7Low170 Ų170119.1 Ų119.179%0.79464%0.641SS**  trans-73.599.3157-74.9-164.2164.400107D150 D154D150-E152 PolarHBondContact O-N 3.42Å; E152-D154 PolarHBondContact O-N 3.17Å
153E45.7Very low60.9Low184 Ų184120.8 Ų120.886%0.8664%0.644SS**  trans-61.174.3164.4-71.7-171.6154.500109.5E151E151-E153 VanDerWaalsContact C-N 3.35Å; E151-E153 PolarHBondContact O-N 2.95Å; E151-E153 VanDerWaalsContact O-N 3.14Å
154D43.5Very low61.6Low137 Ų137115.8 Ų115.873%0.73361%0.612SS**  trans-70.2142.7167.6-161.211.6000108.8E152 G156E152-D154 PolarHBondContact O-N 3.17Å; D154-G156 PolarHBondContact O-N 2.47Å
155V48.5Very low63.3Low149 Ų149114.2 Ų114.290%0.90360%0.603SS**SBendtrans-75.149.1-160.6-177.70000112.4
156G51.5Low65.5Low59 Ų59107.1 Ų107.161%0.60857%0.565SS**SBendtrans-160.626.8-165.500000116.7D154D154-G156 PolarHBondContact O-N 2.47Å
157G59.6Low67.7Low49 Ų49102.4 Ų102.451%0.50555%0.545SS..  trans85.4147.5174.300000114.3R159G157-R159 PolarHBondContact O-N 2.71Å; G157-R159 VanDerWaalsContact O-N 3.17Å
158A70.4Confident70.2Confident69 Ų6993.4 Ų93.457%0.5750%0.503SS*.  trans-59.3119.2-175.100000111.6Q160 S191A158-Q160 PolarHBondContact O-N 3.11Å; A158-S191 PolarHBondContact O-N 2.99Å
159R80.8Confident72.6Confident193 Ų19393.9 Ų93.973%0.72849%0.489SS*.EExtended strand (participates in β ladder)trans-75.2117.3173.8-178.1176171.1174-4.6108.7G157G157-R159 PolarHBondContact O-N 2.71Å; G157-R159 VanDerWaalsContact O-N 3.17Å
160Q83.3Confident75.1Confident66 Ų6685.1 Ų85.131%0.30845%0.448SS..EExtended strand (participates in β ladder)trans-106.8146.9-179-69.5-177.6-39.500111.1A158 T188 F189 S191 L197A158-Q160 PolarHBondContact O-N 3.11Å; Q160-T188 CarbonylContact O-C 3.58Å; Q160-T188 VanDerWaalsContact O-CA 3.31Å; Q160-T188 WeakPolarHBondContact O-CA 3.49Å; Q160-F189 HydrophobicContact CB-CE2 4.35Å; Q160-F189 HydrophobicContact CB-CZ 4.3Å; Q160-F189 PolarHBondContact N-O 3.17Å; Q160-F189 PolarHBondContact O-N 3.42Å; Q160-S191 PolarHBondContact OE1-OG 3.49Å; Q160-L197 VanDerWaalsContact OE1-CD1 3.26Å
161K88.3Confident77.6Confident96 Ų9678.9 Ų78.942%0.41742%0.416SS..EExtended strand (participates in β ladder)trans-120.9122.9178.7-174.5-177.8-174.3-174.70108.6E186 T188K161-E186 WeakPolarHBondContact CE-OE1 3.48Å; K161-E186 WeakPolarHBondContact CE-OE2 3.27Å; K161-E186 HydrophobicContact CG-CG 4.16Å; K161-E186 IonicContact NZ-OE1 2.74Å; K161-E186 IonicContact NZ-OE2 3.68Å; K161-E186 PolarHBondContact NZ-OE2 3.24Å; K161-T188 HydrophobicContact CB-CG2 4.23Å; K161-T188 HydrophobicContact CG-CG2 4.01Å
162L91.4Very high79.9Confident18 Ų1869.8 Ų69.89%0.09437%0.374CS..EExtended strand (participates in β ladder)trans-113.8136.7172.7-69.3-179.4000109.5E141 E186 E187 F189 R200 R201 L204E141-L162 WeakPolarHBondContact OE1-CD2 2.94Å; L162-E186 CarbonylContact O-C 3.56Å; L162-E186 VanDerWaalsContact O-CA 3.29Å; L162-E186 WeakPolarHBondContact O-CA 3.2Å; L162-E187 PolarHBondContact N-O 2.83Å; L162-E187 PolarHBondContact O-N 2.99Å; L162-F189 HydrophobicContact CB-CE1 4.36Å; L162-F189 HydrophobicContact CD1-CE1 3.6Å; L162-F189 HydrophobicContact CD1-CZ 3.75Å; L162-F189 HydrophobicContact CG-CE1 3.72Å; L162-F189 HydrophobicContact CG-CZ 4.07Å; L162-R200 HydrophobicContact CD1-CB 4.23Å; L162-R201 HydrophobicContact CD1-CB 4.22Å; L162-L204 HydrophobicContact CB-CD2 3.72Å; L162-L204 WeakPolarHBondContact O-CD2 3.48Å
163R94.4Very high82.2Confident95 Ų9565.7 Ų65.736%0.35836%0.362SS..EExtended strand (participates in β ladder)trans-134.4131.5176.6-168.2-178.4-173-175.74.1109.5E141 L142 V184 V185 E186E141-R163 CarbonylContact C-O 3.55Å; E141-R163 WeakPolarHBondContact CA-O 3.3Å; L142-R163 HydrophobicContact CB-CB 4.13Å; L142-R163 HydrophobicContact CB-CG 4.01Å; L142-R163 HydrophobicContact CD1-CG 4.14Å; L142-R163 PolarHBondContact N-O 3.08Å; L142-R163 WeakPolarHBondContact O-CB 3.03Å; R163-V184 HydrophobicContact CG-CG1 3.85Å; R163-V185 CarbonylContact C-O 3.58Å; R163-V185 WeakPolarHBondContact CA-O 2.91Å; R163-E186 HydrophobicContact CB-CG 4.39Å; R163-E186 HydrophobicContact CG-CB 4.26Å; R163-E186 HydrophobicContact CG-CG 4.46Å; R163-E186 IonicContact NE-OE2 3.67Å
164F96.6Very high84.4Confident3 Ų365.9 Ų65.91%0.01336%0.355CS..EExtended strand (participates in β ladder)trans-125.5138174.8-79.8-89.5000110.5L139 K140 E141 V184 V185 R201 L204 Q205 V208L139-F164 HydrophobicContact CD1-CD1 4.35Å; K140-F164 CarbonylContact O-C 3.56Å; K140-F164 WeakPolarHBondContact O-CA 3.1Å; K140-F164 WeakPolarHBondContact O-CD1 3.38Å; E141-F164 HydrophobicContact CB-CD1 4.12Å; E141-F164 HydrophobicContact CB-CE1 3.58Å; E141-F164 HydrophobicContact CB-CZ 3.84Å; E141-F164 HydrophobicContact CG-CE1 4.11Å; E141-F164 HydrophobicContact CG-CE2 4.25Å; E141-F164 HydrophobicContact CG-CZ 3.84Å; F164-V184 CarbonylContact O-C 3.56Å; F164-V184 VanDerWaalsContact O-CA 3.28Å; F164-V184 WeakPolarHBondContact O-CA 3.49Å; F164-V185 PolarHBondContact N-O 2.64Å; F164-V185 PolarHBondContact O-N 3.39Å; F164-R201 HydrophobicContact CE2-CG 3.92Å; F164-R201 HydrophobicContact CZ-CG 3.65Å; F164-L204 HydrophobicContact CD2-CB 4.01Å; F164-L204 HydrophobicContact CD2-CD2 3.95Å; F164-L204 HydrophobicContact CD2-CG 4.14Å; F164-L204 HydrophobicContact CE2-CB 4.48Å; F164-Q205 HydrophobicContact CD1-CG 3.82Å; F164-Q205 HydrophobicContact CD2-CG 4.4Å; F164-Q205 HydrophobicContact CE1-CG 3.57Å; F164-Q205 HydrophobicContact CE2-CG 4.19Å; F164-Q205 HydrophobicContact CG-CG 4.25Å; F164-Q205 HydrophobicContact CZ-CG 3.79Å; F164-V208 HydrophobicContact CB-CB 4.25Å; F164-V208 HydrophobicContact CB-CG1 3.95Å; F164-V208 HydrophobicContact CB-CG2 4.38Å; F164-V208 WeakPolarHBondContact O-CG2 3.42Å
165G97.1Very high86.8Confident11 Ų1162.9 Ų62.911%0.11333%0.334CS..EExtended strand (participates in β ladder)trans-109.6140.8167.500000110.9L139 K140 A183L139-G165 WeakPolarHBondContact CA-O 3.45Å; K140-G165 PolarHBondContact N-O 3.35Å; K140-G165 PolarHBondContact O-N 3.2Å; G165-A183 CarbonylContact C-O 3.59Å; G165-A183 WeakPolarHBondContact CA-O 3.38Å
166C97.7Very high88.8Confident2 Ų259.2 Ų59.21%0.01433%0.327CS..EExtended strand (participates in β ladder)trans-137.3138.4174-173.80000111.3T138 L139 A182 A183 V208 A212T138-C166 CarbonylContact O-C 3.58Å; T138-C166 WeakPolarHBondContact O-CA 3.48Å; T138-C166 PolarHBondContact O-SG 3.33Å; L139-C166 HydrophobicContact CD1-CB 3.94Å; C166-A182 CarbonylContact O-C 3.58Å; C166-A182 VanDerWaalsContact O-CA 3.28Å; C166-A182 WeakPolarHBondContact O-CA 3.49Å; C166-A183 PolarHBondContact N-O 3.05Å; C166-A183 PolarHBondContact O-N 2.93Å; C166-V208 HydrophobicContact CB-CB 4.32Å; C166-V208 HydrophobicContact CB-CG1 3.95Å; C166-V208 HydrophobicContact CB-CG2 3.63Å; C166-A212 HydrophobicContact CB-CB 4.1Å
167I97.8Very high90.9Very high66 Ų6657.8 Ų57.834%0.33831%0.306SS..EExtended strand (participates in β ladder)trans-116.3126.5168.6-55.6177.1000107.8I137 T138 G181 A182I137-I167 HydrophobicContact CB-CB 4.32Å; I137-I167 HydrophobicContact CB-CG2 4.14Å; I137-I167 HydrophobicContact CD1-CG2 3.98Å; I137-I167 PolarHBondContact N-O 2.93Å; T138-I167 PolarHBondContact N-O 2.94Å; T138-I167 PolarHBondContact O-N 2.87Å; I167-G181 CarbonylContact C-O 3.55Å; I167-G181 WeakPolarHBondContact CA-O 3.38Å; I167-A182 HydrophobicContact CG1-CB 4.31Å
168M97.3Very high92.6Very high9 Ų958.7 Ų58.74%0.04430%0.302CS..EExtended strand (participates in β ladder)trans-117.7138.9-179.1-170.471.465.500109.3D135 I136 R180 G181 R209 A212 L213D135-M168 VanDerWaalsContact C-SD 3.53Å; D135-M168 CarbonylContact O-C 3.53Å; D135-M168 WeakPolarHBondContact O-CA 3.42Å; D135-M168 VanDerWaalsContact O-SD 3.33Å; I136-M168 HydrophobicContact CG1-CE 3.62Å; I136-M168 HydrophobicContact CG1-SD 3.86Å; M168-R180 CarbonylContact O-C 3.58Å; M168-R180 VanDerWaalsContact O-CA 3.25Å; M168-R180 WeakPolarHBondContact O-CA 3.45Å; M168-G181 PolarHBondContact N-O 3.49Å; M168-G181 PolarHBondContact O-N 2.74Å; M168-R209 HydrophobicContact CE-CB 4.3Å; M168-A212 HydrophobicContact CB-CB 3.97Å; M168-L213 HydrophobicContact CE-CB 4.48Å; M168-L213 HydrophobicContact CG-CB 4.33Å
169K97.3Very high93.8Very high66 Ų6656.1 Ų56.129%0.28728%0.279SS..EExtended strand (participates in β ladder)trans-104.8136.2167.5-173.1176.9176.8-179.70109S134 D135 I137 T179 R180S134-K169 CarbonylContact C-O 3.58Å; S134-K169 VanDerWaalsContact CA-O 3.26Å; S134-K169 WeakPolarHBondContact CA-O 3.43Å; D135-K169 HydrophobicContact CB-CB 4.48Å; D135-K169 PolarHBondContact N-O 2.9Å; D135-K169 PolarHBondContact O-N 2.85Å; I137-K169 HydrophobicContact CD1-CB 3.74Å; I137-K169 HydrophobicContact CG1-CB 4.01Å; K169-T179 CarbonylContact C-O 3.56Å; K169-T179 WeakPolarHBondContact CA-O 2.97Å; K169-R180 HydrophobicContact CB-CG 4.41Å; K169-R180 HydrophobicContact CG-CG 4.37Å
170L97.6Very high94.6Very high0 Ų051.8 Ų51.80%026%0.263CS..EExtended strand (participates in β ladder)trans-105.7137162.8-60.6177.3000108.8W132 T133 F172 T178 T179 L213 A216 F217W132-L170 HydrophobicContact CE3-CD2 4.1Å; W132-L170 HydrophobicContact CZ3-CD2 3.9Å; T133-L170 WeakPolarHBondContact O-CA 3.31Å; L170-F172 HydrophobicContact CB-CE2 4.05Å; L170-F172 HydrophobicContact CB-CZ 4.29Å; L170-F172 HydrophobicContact CD1-CZ 4.45Å; L170-T178 CarbonylContact O-C 3.56Å; L170-T178 VanDerWaalsContact O-CA 3.24Å; L170-T178 WeakPolarHBondContact O-CA 3.35Å; L170-T178 WeakPolarHBondContact O-CB 2.97Å; L170-T179 HydrophobicContact CB-CG2 3.77Å; L170-T179 HydrophobicContact CD1-CG2 4.12Å; L170-T179 HydrophobicContact CG-CG2 4.34Å; L170-T179 PolarHBondContact N-O 3.4Å; L170-T179 PolarHBondContact O-N 2.75Å; L170-L213 HydrophobicContact CD2-CG 4.49Å; L170-A216 HydrophobicContact CD1-CB 3.57Å; L170-A216 HydrophobicContact CG-CB 3.71Å; L170-F217 HydrophobicContact CD1-CB 4.31Å; L170-F217 HydrophobicContact CD1-CD1 3.75Å; L170-F217 HydrophobicContact CD1-CD2 3.6Å; L170-F217 HydrophobicContact CD1-CE1 3.89Å; L170-F217 HydrophobicContact CD1-CE2 3.73Å; L170-F217 HydrophobicContact CD1-CG 3.61Å; L170-F217 HydrophobicContact CD1-CZ 3.88Å; L170-F217 HydrophobicContact CD2-CE2 4Å; L170-F217 HydrophobicContact CD2-CZ 4.25Å
171S96.9Very high95.2Very high23 Ų2348.8 Ų48.816%0.16125%0.249CC..EExtended strand (participates in β ladder)trans-122138.5175.6-171.30000110.1W132 T133W132-S171 CarbonylContact C-O 3.5Å; W132-S171 WeakPolarHBondContact CA-O 3.32Å; T133-S171 PolarHBondContact N-O 3.43Å; T133-S171 PolarHBondContact O-N 3.01Å; T133-S171 WeakPolarHBondContact OG1-CB 3.48Å
172F96.9Very high95.6Very high0 Ų046.7 Ų46.70%025%0.25CC..EExtended strand (participates in β ladder)trans-123.776.7176.9-59.2-79.8000108.9L127 W132 L170 R174 Y175 G176 V177 T179 F217 V220 V232L127-F172 HydrophobicContact CD1-CD1 3.65Å; L127-F172 HydrophobicContact CD1-CE1 3.5Å; L127-F172 VanDerWaalsContact CD1-CE1 3.5Å; W132-F172 HydrophobicContact CB-CD1 3.49Å; W132-F172 VanDerWaalsContact CB-CD1 3.49Å; W132-F172 HydrophobicContact CB-CE1 3.49Å; W132-F172 VanDerWaalsContact CB-CE1 3.49Å; W132-F172 HydrophobicContact CG-CE1 4.24Å; L170-F172 HydrophobicContact CB-CE2 4.05Å; L170-F172 HydrophobicContact CB-CZ 4.29Å; L170-F172 HydrophobicContact CD1-CZ 4.45Å; F172-R174 VanDerWaalsContact C-N 3.29Å; F172-R174 PolarHBondContact O-N 3.46Å; F172-R174 VanDerWaalsContact O-N 3.14Å; F172-Y175 HydrophobicContact CB-CD2 4.08Å; F172-Y175 PolarHBondContact O-N 2.84Å; F172-G176 PolarHBondContact O-N 3.45Å; F172-G176 VanDerWaalsContact O-N 3.14Å; F172-V177 HydrophobicContact CB-CB 4.46Å; F172-V177 HydrophobicContact CD2-CG1 4.3Å; F172-V177 PolarHBondContact N-O 2.86Å; F172-V177 PolarHBondContact O-N 3.24Å; F172-T179 HydrophobicContact CE2-CG2 4.25Å; F172-F217 HydrophobicContact CE1-CE1 4.48Å; F172-F217 HydrophobicContact CZ-CE1 4.12Å; F172-V220 HydrophobicContact CE2-CG1 4.26Å; F172-V220 HydrophobicContact CE2-CG2 3.77Å; F172-V220 HydrophobicContact CZ-CG1 3.98Å; F172-V220 HydrophobicContact CZ-CG2 3.85Å; F172-V232 HydrophobicContact CB-CG1 4.47Å; F172-V232 HydrophobicContact CD1-CG1 4.23Å; F172-V232 HydrophobicContact CD1-CG2 4.39Å; F172-V232 HydrophobicContact CD2-CG1 4.02Å; F172-V232 HydrophobicContact CE1-CG1 4.5Å; F172-V232 HydrophobicContact CE2-CG1 4.3Å; F172-V232 HydrophobicContact CG-CG1 3.98Å
173P93.6Very high95.8Very high84 Ų8446.5 Ų46.555%0.54525%0.251SS..G310 helixtrans-58.3-36.8-165.2-27.235.3000114.3Y175 G176P173-Y175 PolarHBondContact O-N 2.66Å; P173-G176 PolarHBondContact O-N 3.48Å
174R92.4Very high96Very high188 Ų18845.8 Ų45.871%0.70926%0.257SS*.G310 helixtrans-64.2-23.3178.9-69.1-176.4178.7174.7-0.5113.7F172F172-R174 VanDerWaalsContact C-N 3.29Å; F172-R174 PolarHBondContact O-N 3.46Å; F172-R174 VanDerWaalsContact O-N 3.14Å
175Y92.6Very high95.9Very high74 Ų7446.2 Ų46.229%0.2926%0.26SS..G310 helixtrans-106.8-5.3-177.7-54.5-81.2000111.8L127 F172 P173 V177 V230 V232L127-Y175 HydrophobicContact CD2-CE2 3.91Å; F172-Y175 HydrophobicContact CB-CD2 4.08Å; F172-Y175 PolarHBondContact O-N 2.84Å; P173-Y175 PolarHBondContact O-N 2.66Å; Y175-V177 WeakPolarHBondContact O-CG2 3.25Å; Y175-V177 PolarHBondContact O-N 2.92Å; Y175-V230 WeakPolarHBondContact CE1-O 3.09Å; Y175-V230 PolarHBondContact OH-O 3.45Å; Y175-V230 VanDerWaalsContact OH-O 3.12Å; Y175-V232 HydrophobicContact CD1-CB 4.32Å; Y175-V232 HydrophobicContact CD1-CG2 4.38Å; Y175-V232 HydrophobicContact CD2-CB 3.89Å; Y175-V232 HydrophobicContact CD2-CG2 3.54Å; Y175-V232 HydrophobicContact CE1-CG2 4.36Å; Y175-V232 HydrophobicContact CE2-CB 4.32Å; Y175-V232 HydrophobicContact CE2-CG2 3.5Å; Y175-V232 VanDerWaalsContact CE2-CG2 3.5Å; Y175-V232 HydrophobicContact CG-CB 3.87Å; Y175-V232 HydrophobicContact CG-CG2 3.99Å
176G92.3Very high95.8Very high73 Ų7350 Ų5075%0.75328%0.275SS*.THydrogen-bonded Turntrans67.320.7-178.100000113.7F172 P173F172-G176 PolarHBondContact O-N 3.45Å; F172-G176 VanDerWaalsContact O-N 3.14Å; P173-G176 PolarHBondContact O-N 3.48Å
177V94.4Very high95.5Very high28 Ų2851.7 Ų51.717%0.1728%0.282CS..EExtended strand (participates in β ladder)trans-112.9137.6-170.9170.30000110.1F172 Y175 L234F172-V177 HydrophobicContact CB-CB 4.46Å; F172-V177 HydrophobicContact CD2-CG1 4.3Å; F172-V177 PolarHBondContact N-O 2.86Å; F172-V177 PolarHBondContact O-N 3.24Å; Y175-V177 WeakPolarHBondContact O-CG2 3.25Å; Y175-V177 PolarHBondContact O-N 2.92Å; V177-L234 HydrophobicContact CG1-CD1 3.41Å; V177-L234 VanDerWaalsContact CG1-CD1 3.41Å; V177-L234 HydrophobicContact CG1-CD2 3.69Å; V177-L234 HydrophobicContact CG1-CG 3.33Å
178T95.7Very high95.2Very high69 Ų6951.7 Ų51.742%0.42329%0.285SS..EExtended strand (participates in β ladder)trans-134.9145.6170.674.90000110.5L170 L234L170-T178 CarbonylContact O-C 3.56Å; L170-T178 VanDerWaalsContact O-CA 3.24Å; L170-T178 WeakPolarHBondContact O-CA 3.35Å; L170-T178 WeakPolarHBondContact O-CB 2.97Å; T178-L234 VanDerWaalsContact O-CD1 3.23Å; T178-L234 WeakPolarHBondContact O-CD1 3.48Å
179T96.3Very high94.7Very high14 Ų1452.1 Ų52.19%0.08629%0.287CS..EExtended strand (participates in β ladder)trans-133.4156.3176.3-1800000109.4K169 L170 F172 A216 S219 V220 L234K169-T179 CarbonylContact C-O 3.56Å; K169-T179 WeakPolarHBondContact CA-O 2.97Å; L170-T179 HydrophobicContact CB-CG2 3.77Å; L170-T179 HydrophobicContact CD1-CG2 4.12Å; L170-T179 HydrophobicContact CG-CG2 4.34Å; L170-T179 PolarHBondContact N-O 3.4Å; L170-T179 PolarHBondContact O-N 2.75Å; F172-T179 HydrophobicContact CE2-CG2 4.25Å; T179-A216 WeakPolarHBondContact CG2-O 3.37Å; T179-S219 PolarHBondContact OG1-OG 2.83Å; T179-V220 HydrophobicContact CG2-CG2 3.83Å; T179-L234 HydrophobicContact CG2-CD2 4.1Å
180R96.4Very high94.1Very high103 Ų10353 Ų5339%0.38930%0.298SS..EExtended strand (participates in β ladder)trans-118.3154.2175.9-68.7178.8177.7172.2-2.3109.6I137 M168 K169I137-R180 HydrophobicContact CD1-CG 3.99Å; M168-R180 CarbonylContact O-C 3.58Å; M168-R180 VanDerWaalsContact O-CA 3.25Å; M168-R180 WeakPolarHBondContact O-CA 3.45Å; K169-R180 HydrophobicContact CB-CG 4.41Å; K169-R180 HydrophobicContact CG-CG 4.37Å
181G95.9Very high93.2Very high3 Ų354.2 Ų54.23%0.03131%0.306CS..EExtended strand (participates in β ladder)trans-144.7149.1169.600000114.3I167 M168I167-G181 CarbonylContact C-O 3.55Å; I167-G181 WeakPolarHBondContact CA-O 3.38Å; M168-G181 PolarHBondContact N-O 3.49Å; M168-G181 PolarHBondContact O-N 2.74Å
182A96.4Very high92.5Very high51 Ų5159.4 Ų59.442%0.42134%0.338SS..EExtended strand (participates in β ladder)trans-127.1145.6-174.800000110.8C166 I167C166-A182 CarbonylContact O-C 3.58Å; C166-A182 VanDerWaalsContact O-CA 3.28Å; C166-A182 WeakPolarHBondContact O-CA 3.49Å; I167-A182 HydrophobicContact CG1-CB 4.31Å
183A97.1Very high91.8Very high15 Ų1560.5 Ų60.512%0.12435%0.349CS..EExtended strand (participates in β ladder)trans-144.8146.5171.400000110.9G165 C166 V208 K211 A212G165-A183 CarbonylContact C-O 3.59Å; G165-A183 WeakPolarHBondContact CA-O 3.38Å; C166-A183 PolarHBondContact N-O 3.05Å; C166-A183 PolarHBondContact O-N 2.93Å; A183-V208 HydrophobicContact CB-CG2 4.22Å; A183-V208 VanDerWaalsContact O-CG2 3.23Å; A183-V208 WeakPolarHBondContact O-CG2 3.34Å; A183-K211 HydrophobicContact CB-CB 3.62Å; A183-A212 HydrophobicContact CB-CB 3.95Å
184V96.9Very high91.3Very high79 Ų7961 Ų6148%0.47935%0.352SS..EExtended strand (participates in β ladder)trans-122.2132.4168.1-179.90000107.9L142 R163 F164L142-V184 HydrophobicContact CD1-CG1 3.91Å; L142-V184 HydrophobicContact CD1-CG2 4.27Å; R163-V184 HydrophobicContact CG-CG1 3.85Å; F164-V184 CarbonylContact O-C 3.56Å; F164-V184 VanDerWaalsContact O-CA 3.28Å; F164-V184 WeakPolarHBondContact O-CA 3.49Å
185V96.1Very high91.1Very high12 Ų1258.1 Ų58.17%0.07335%0.351CS..EExtended strand (participates in β ladder)trans-129134.8177.8-170.80000109.2R163 F164 L204 V208 K211R163-V185 CarbonylContact C-O 3.58Å; R163-V185 WeakPolarHBondContact CA-O 2.91Å; F164-V185 PolarHBondContact N-O 2.64Å; F164-V185 PolarHBondContact O-N 3.39Å; V185-L204 HydrophobicContact CB-CD1 4.22Å; V185-L204 HydrophobicContact CB-CG 4.41Å; V185-L204 HydrophobicContact CG1-CD1 3.46Å; V185-L204 VanDerWaalsContact CG1-CD1 3.46Å; V185-L204 HydrophobicContact CG1-CG 4.18Å; V185-V208 HydrophobicContact CB-CB 4.26Å; V185-V208 HydrophobicContact CB-CG2 4.5Å; V185-V208 HydrophobicContact CG2-CB 3.86Å; V185-V208 HydrophobicContact CG2-CG2 4.02Å; V185-K211 HydrophobicContact CG2-CD 3.66Å
186E94.4Very high90.9Very high92 Ų9256.5 Ų56.543%0.4335%0.348SS..EExtended strand (participates in β ladder)trans-123.4140.2179.6-171.7177.8110.700109.6K161 L162 R163K161-E186 WeakPolarHBondContact CE-OE1 3.48Å; K161-E186 WeakPolarHBondContact CE-OE2 3.27Å; K161-E186 HydrophobicContact CG-CG 4.16Å; K161-E186 IonicContact NZ-OE1 2.74Å; K161-E186 IonicContact NZ-OE2 3.68Å; K161-E186 PolarHBondContact NZ-OE2 3.24Å; L162-E186 CarbonylContact O-C 3.56Å; L162-E186 VanDerWaalsContact O-CA 3.29Å; L162-E186 WeakPolarHBondContact O-CA 3.2Å; R163-E186 HydrophobicContact CB-CG 4.39Å; R163-E186 HydrophobicContact CG-CB 4.26Å; R163-E186 HydrophobicContact CG-CG 4.46Å; R163-E186 IonicContact NE-OE2 3.67Å
187E92.2Very high90.6Very high37 Ų3755.3 Ų55.317%0.17333%0.325CS..EExtended strand (participates in β ladder)trans-138.3128.6173.8-175173.3-16500109.4L162 F189 R200 L204L162-E187 PolarHBondContact N-O 2.83Å; L162-E187 PolarHBondContact O-N 2.99Å; E187-F189 HydrophobicContact CG-CD1 4.35Å; E187-R200 WeakPolarHBondContact OE1-CD 3.44Å; E187-R200 IonicContact OE1-CZ 3.91Å; E187-R200 IonicContact OE1-NE 2.68Å; E187-R200 IonicContact OE1-NH1 2.78Å; E187-R200 PolarHBondContact OE1-NH1 2.82Å; E187-L204 HydrophobicContact CB-CD1 3.69Å; E187-L204 HydrophobicContact CB-CD2 3.89Å; E187-L204 HydrophobicContact CB-CG 4.49Å
188T90.4Very high90.5Very high66 Ų6659 Ų5941%0.40534%0.343SS..EExtended strand (participates in β ladder)trans-103.7134.4170.455.30000109.8Q160 K161Q160-T188 CarbonylContact O-C 3.58Å; Q160-T188 VanDerWaalsContact O-CA 3.31Å; Q160-T188 WeakPolarHBondContact O-CA 3.49Å; K161-T188 HydrophobicContact CB-CG2 4.23Å; K161-T188 HydrophobicContact CG-CG2 4.01Å
189F86.5Confident90.3Very high17 Ų1762.3 Ų62.38%0.07535%0.353CS..EExtended strand (participates in β ladder)trans-150.8157.6179.258.8-82.7000111.7Q160 L162 E187 V196 L197 R200Q160-F189 HydrophobicContact CB-CE2 4.35Å; Q160-F189 HydrophobicContact CB-CZ 4.3Å; Q160-F189 PolarHBondContact N-O 3.17Å; Q160-F189 PolarHBondContact O-N 3.42Å; L162-F189 HydrophobicContact CB-CE1 4.36Å; L162-F189 HydrophobicContact CD1-CE1 3.6Å; L162-F189 HydrophobicContact CD1-CZ 3.75Å; L162-F189 HydrophobicContact CG-CE1 3.72Å; L162-F189 HydrophobicContact CG-CZ 4.07Å; E187-F189 HydrophobicContact CG-CD1 4.35Å; F189-V196 HydrophobicContact CD2-CG1 4.33Å; F189-V196 HydrophobicContact CE2-CG1 4.49Å; F189-L197 HydrophobicContact CE2-CD2 3.7Å; F189-L197 HydrophobicContact CE2-CG 4.09Å; F189-L197 HydrophobicContact CZ-CD2 3.43Å; F189-L197 VanDerWaalsContact CZ-CD2 3.43Å; F189-L197 HydrophobicContact CZ-CG 4.26Å; F189-R200 HydrophobicContact CD1-CB 4.24Å; F189-R200 HydrophobicContact CD1-CG 4.03Å; F189-R200 HydrophobicContact CD2-CG 4.02Å; F189-R200 HydrophobicContact CE1-CB 3.76Å; F189-R200 HydrophobicContact CE1-CG 3.98Å; F189-R200 HydrophobicContact CE2-CB 4.3Å; F189-R200 HydrophobicContact CE2-CG 3.96Å; F189-R200 HydrophobicContact CG-CG 4.04Å; F189-R200 HydrophobicContact CZ-CB 3.77Å; F189-R200 HydrophobicContact CZ-CG 3.92Å
190T86.2Confident90.1Very high85 Ų8565.3 Ų65.352%0.52136%0.363SS..EExtended strand (participates in β ladder)trans-84.2129.9169.748.20000109.3
191S78.1Confident89.9Confident25 Ų2564.9 Ų64.918%0.17536%0.362CS..  trans-94.2117.2-178.3-164.10000110.5A158 Q160A158-S191 PolarHBondContact O-N 2.99Å; Q160-S191 PolarHBondContact OE1-OG 3.49Å
192T81.3Confident89.8Confident133 Ų13368.5 Ų68.582%0.81639%0.385SS*.SBendtrans-98.60.4173.6-35.70000111.6
193G81.8Confident89.8Confident23 Ų2371.9 Ų71.924%0.23739%0.391CS..SBendtrans161.7170.1179.900000114.3D195 V196G193-D195 VanDerWaalsContact C-N 3.3Å; G193-D195 PolarHBondContact O-N 3.29Å; G193-V196 PolarHBondContact O-N 2.93Å
194P84.6Confident89.7Confident94 Ų9471.5 Ų71.561%0.6139%0.386SS*.Hα-helixtrans-64.4-28.9-175.825.6-34.5000114V196 L197 L198P194-V196 PolarHBondContact O-N 3.34Å; P194-L197 WeakPolarHBondContact O-CB 3.47Å; P194-L197 PolarHBondContact O-N 3.5Å; P194-L198 WeakPolarHBondContact O-CG 2.86Å; P194-L198 PolarHBondContact O-N 2.94Å; P194-L198 VanDerWaalsContact O-N 3.09Å
195D87.9Confident89.7Confident128 Ų12870.2 Ų70.268%0.68438%0.375SS*.Hα-helixtrans-66.9-37.9179-64.7-25.7000112.2G193 L197 L198 Q199G193-D195 VanDerWaalsContact C-N 3.3Å; G193-D195 PolarHBondContact O-N 3.29Å; D195-L197 VanDerWaalsContact C-N 3.34Å; D195-L198 PolarHBondContact O-N 3.29Å; D195-Q199 WeakPolarHBondContact O-CB 3.31Å; D195-Q199 PolarHBondContact O-N 2.91Å
196V87.8Confident89.7Confident40 Ų4077.1 Ų77.124%0.24240%0.4CS..Hα-helixtrans-64.6-43.4177.4-179.20000109.7F189 G193 P194 Q199 R200F189-V196 HydrophobicContact CD2-CG1 4.33Å; F189-V196 HydrophobicContact CE2-CG1 4.49Å; G193-V196 PolarHBondContact O-N 2.93Å; P194-V196 PolarHBondContact O-N 3.34Å; V196-Q199 PolarHBondContact O-N 2.87Å; V196-R200 HydrophobicContact CG1-CG 4.29Å; V196-R200 WeakPolarHBondContact O-CB 3.33Å; V196-R200 WeakPolarHBondContact O-CG 3.46Å; V196-R200 PolarHBondContact O-N 2.96Å
197L87.3Confident89.8Confident48 Ų4874.5 Ų74.525%0.25139%0.391SS..Hα-helixtrans-56.1-50.9174.6-88.9165.4000112.5Q160 F189 P194 D195 Q199 R200 R201Q160-L197 VanDerWaalsContact OE1-CD1 3.26Å; F189-L197 HydrophobicContact CE2-CD2 3.7Å; F189-L197 HydrophobicContact CE2-CG 4.09Å; F189-L197 HydrophobicContact CZ-CD2 3.43Å; F189-L197 VanDerWaalsContact CZ-CD2 3.43Å; F189-L197 HydrophobicContact CZ-CG 4.26Å; P194-L197 WeakPolarHBondContact O-CB 3.47Å; P194-L197 PolarHBondContact O-N 3.5Å; D195-L197 VanDerWaalsContact C-N 3.34Å; L197-Q199 VanDerWaalsContact C-N 3.35Å; L197-Q199 PolarHBondContact O-N 3.48Å; L197-R200 PolarHBondContact O-N 3.27Å; L197-R201 WeakPolarHBondContact O-CB 3.32Å; L197-R201 PolarHBondContact O-N 3.37Å
198L90.7Very high90.1Very high105 Ų10572.7 Ų72.755%0.5538%0.383SS..Hα-helixtrans-61.5-43.2178.9-71.4172.9000111.7P194 D195 R200 R201 C202P194-L198 WeakPolarHBondContact O-CG 2.86Å; P194-L198 PolarHBondContact O-N 2.94Å; P194-L198 VanDerWaalsContact O-N 3.09Å; D195-L198 PolarHBondContact O-N 3.29Å; L198-R200 PolarHBondContact O-N 2.78Å; L198-R201 PolarHBondContact O-N 3.41Å; L198-C202 WeakPolarHBondContact O-CB 3.36Å; L198-C202 PolarHBondContact O-N 3.27Å; L198-C202 PolarHBondContact O-SG 2.69Å; L198-C202 VanDerWaalsContact O-SG 3.42Å
199Q92.6Very high90.4Very high138 Ų13874 Ų7465%0.64538%0.38SS*.Hα-helixtrans-61.9-44.4177.6-170.7-176.813.300111.7D195 V196 L197 K203D195-Q199 WeakPolarHBondContact O-CB 3.31Å; D195-Q199 PolarHBondContact O-N 2.91Å; V196-Q199 PolarHBondContact O-N 2.87Å; L197-Q199 VanDerWaalsContact C-N 3.35Å; L197-Q199 PolarHBondContact O-N 3.48Å; Q199-K203 WeakPolarHBondContact O-CB 3.45Å; Q199-K203 PolarHBondContact O-N 2.77Å
200R91.6Very high91Very high78 Ų7876.8 Ų76.829%0.29439%0.394SS..Hα-helixtrans-64.2-45.4177.7-65.9-71.6170.2178.40.7111.1L162 E187 F189 V196 L197 L198 C202 K203 L204L162-R200 HydrophobicContact CD1-CB 4.23Å; E187-R200 WeakPolarHBondContact OE1-CD 3.44Å; E187-R200 IonicContact OE1-CZ 3.91Å; E187-R200 IonicContact OE1-NE 2.68Å; E187-R200 IonicContact OE1-NH1 2.78Å; E187-R200 PolarHBondContact OE1-NH1 2.82Å; F189-R200 HydrophobicContact CD1-CB 4.24Å; F189-R200 HydrophobicContact CD1-CG 4.03Å; F189-R200 HydrophobicContact CD2-CG 4.02Å; F189-R200 HydrophobicContact CE1-CB 3.76Å; F189-R200 HydrophobicContact CE1-CG 3.98Å; F189-R200 HydrophobicContact CE2-CB 4.3Å; F189-R200 HydrophobicContact CE2-CG 3.96Å; F189-R200 HydrophobicContact CG-CG 4.04Å; F189-R200 HydrophobicContact CZ-CB 3.77Å; F189-R200 HydrophobicContact CZ-CG 3.92Å; V196-R200 HydrophobicContact CG1-CG 4.29Å; V196-R200 WeakPolarHBondContact O-CB 3.33Å; V196-R200 WeakPolarHBondContact O-CG 3.46Å; V196-R200 PolarHBondContact O-N 2.96Å; L197-R200 PolarHBondContact O-N 3.27Å; L198-R200 PolarHBondContact O-N 2.78Å; R200-C202 PolarHBondContact O-N 2.6Å; R200-K203 PolarHBondContact O-N 3.18Å; R200-L204 WeakPolarHBondContact O-CB 3.42Å; R200-L204 PolarHBondContact O-N 3.34Å
201R92.6Very high91.5Very high94 Ų9477.8 Ų77.836%0.35539%0.391SS..Hα-helixtrans-56.7-50.3176.1-170179.6179.9114.33.9112.1E141 L162 F164 L197 L198 K203 L204 Q205E141-R201 IonicContact OE1-CZ 3.72Å; E141-R201 IonicContact OE1-NH1 3.02Å; E141-R201 PolarHBondContact OE1-NH1 2.83Å; E141-R201 IonicContact OE2-CZ 3Å; E141-R201 IonicContact OE2-NH1 2.71Å; E141-R201 PolarHBondContact OE2-NH1 3.35Å; E141-R201 IonicContact OE2-NH2 2.68Å; E141-R201 PolarHBondContact OE2-NH2 2.84Å; L162-R201 HydrophobicContact CD1-CB 4.22Å; F164-R201 HydrophobicContact CE2-CG 3.92Å; F164-R201 HydrophobicContact CZ-CG 3.65Å; L197-R201 WeakPolarHBondContact O-CB 3.32Å; L197-R201 PolarHBondContact O-N 3.37Å; L198-R201 PolarHBondContact O-N 3.41Å; R201-K203 VanDerWaalsContact C-N 3.34Å; R201-K203 PolarHBondContact O-N 2.79Å; R201-L204 PolarHBondContact O-N 2.94Å; R201-Q205 WeakPolarHBondContact O-CB 3.4Å; R201-Q205 VanDerWaalsContact O-CG 3.32Å; R201-Q205 WeakPolarHBondContact O-CG 3.45Å; R201-Q205 PolarHBondContact O-N 3.12Å
202C94.2Very high92.4Very high79 Ų7976.6 Ų76.653%0.53438%0.383SS..Hα-helixtrans-60.4-42.3177.7-75.60000112.5L198 R200 R206L198-C202 WeakPolarHBondContact O-CB 3.36Å; L198-C202 PolarHBondContact O-N 3.27Å; L198-C202 PolarHBondContact O-SG 2.69Å; L198-C202 VanDerWaalsContact O-SG 3.42Å; R200-C202 PolarHBondContact O-N 2.6Å; C202-R206 PolarHBondContact O-N 3.41Å
203K95.3Very high93.2Very high122 Ų12270.6 Ų70.653%0.5335%0.346SS..Hα-helixtrans-64.3-44177-174.6-173.7175.4-166.70111.3Q199 R200 R201 R206 S207Q199-K203 WeakPolarHBondContact O-CB 3.45Å; Q199-K203 PolarHBondContact O-N 2.77Å; R200-K203 PolarHBondContact O-N 3.18Å; R201-K203 VanDerWaalsContact C-N 3.34Å; R201-K203 PolarHBondContact O-N 2.79Å; K203-R206 PolarHBondContact O-N 3.46Å; K203-S207 WeakPolarHBondContact O-CB 3.32Å; K203-S207 PolarHBondContact O-N 2.94Å
204L95.3Very high93.9Very high6 Ų670.3 Ų70.33%0.03134%0.339CS..Hα-helixtrans-68.4-41.5-179-145.660.3000111.6L162 F164 V185 E187 R200 R201 R206 S207 V208L162-L204 HydrophobicContact CB-CD2 3.72Å; L162-L204 WeakPolarHBondContact O-CD2 3.48Å; F164-L204 HydrophobicContact CD2-CB 4.01Å; F164-L204 HydrophobicContact CD2-CD2 3.95Å; F164-L204 HydrophobicContact CD2-CG 4.14Å; F164-L204 HydrophobicContact CE2-CB 4.48Å; V185-L204 HydrophobicContact CB-CD1 4.22Å; V185-L204 HydrophobicContact CB-CG 4.41Å; V185-L204 HydrophobicContact CG1-CD1 3.46Å; V185-L204 VanDerWaalsContact CG1-CD1 3.46Å; V185-L204 HydrophobicContact CG1-CG 4.18Å; E187-L204 HydrophobicContact CB-CD1 3.69Å; E187-L204 HydrophobicContact CB-CD2 3.89Å; E187-L204 HydrophobicContact CB-CG 4.49Å; R200-L204 WeakPolarHBondContact O-CB 3.42Å; R200-L204 PolarHBondContact O-N 3.34Å; R201-L204 PolarHBondContact O-N 2.94Å; L204-R206 VanDerWaalsContact C-N 3.33Å; L204-R206 PolarHBondContact O-N 3.33Å; L204-S207 PolarHBondContact O-N 3.09Å; L204-V208 WeakPolarHBondContact O-CG1 3.36Å; L204-V208 PolarHBondContact O-N 3.28Å
205Q96.1Very high94.5Very high52 Ų5269.8 Ų69.824%0.24333%0.329CS..Hα-helixtrans-61.9-36.3173.3-75.9-178.1-10.700113.2F164 R201 V208 R209F164-Q205 HydrophobicContact CD1-CG 3.82Å; F164-Q205 HydrophobicContact CD2-CG 4.4Å; F164-Q205 HydrophobicContact CE1-CG 3.57Å; F164-Q205 HydrophobicContact CE2-CG 4.19Å; F164-Q205 HydrophobicContact CG-CG 4.25Å; F164-Q205 HydrophobicContact CZ-CG 3.79Å; R201-Q205 WeakPolarHBondContact O-CB 3.4Å; R201-Q205 VanDerWaalsContact O-CG 3.32Å; R201-Q205 WeakPolarHBondContact O-CG 3.45Å; R201-Q205 PolarHBondContact O-N 3.12Å; Q205-V208 WeakPolarHBondContact O-CG1 3.12Å; Q205-R209 WeakPolarHBondContact O-CG 3.47Å; Q205-R209 PolarHBondContact O-NE 3.48Å
206R96.5Very high94.9Very high158 Ų15863.7 Ų63.760%0.59630%0.296SS*.Hα-helixtrans-67.7-50.5171.8-175.1-179.9-65.2175.5-0.5110.6C202 K203 L204 V208 R209 E210C202-R206 PolarHBondContact O-N 3.41Å; K203-R206 PolarHBondContact O-N 3.46Å; L204-R206 VanDerWaalsContact C-N 3.33Å; L204-R206 PolarHBondContact O-N 3.33Å; R206-V208 PolarHBondContact O-N 2.95Å; R206-R209 PolarHBondContact O-N 2.9Å; R206-E210 WeakPolarHBondContact CD-OE1 2.85Å; R206-E210 HydrophobicContact CG-CG 4.41Å; R206-E210 VanDerWaalsContact CG-OE1 3.25Å; R206-E210 WeakPolarHBondContact CG-OE1 3.36Å; R206-E210 WeakPolarHBondContact O-CG 3.17Å; R206-E210 PolarHBondContact O-N 2.76Å
207S96.9Very high95.3Very high36 Ų3661.8 Ų61.825%0.25229%0.285SS..Hα-helixtrans-57.7-45.1-178.1-177.30000113.1K203 L204 R209 E210 K211K203-S207 WeakPolarHBondContact O-CB 3.32Å; K203-S207 PolarHBondContact O-N 2.94Å; L204-S207 PolarHBondContact O-N 3.09Å; S207-R209 PolarHBondContact O-N 3.21Å; S207-E210 PolarHBondContact O-N 3.14Å; S207-K211 WeakPolarHBondContact O-CG 3.4Å; S207-K211 PolarHBondContact O-N 2.71Å
208V97.9Very high95.7Very high0 Ų061.1 Ų61.10%028%0.284CS..Hα-helixtrans-65-39.6179.872.20000112.1L139 F164 C166 A183 V185 L204 Q205 R206 K211 A212L139-V208 HydrophobicContact CD1-CG1 3.59Å; F164-V208 HydrophobicContact CB-CB 4.25Å; F164-V208 HydrophobicContact CB-CG1 3.95Å; F164-V208 HydrophobicContact CB-CG2 4.38Å; F164-V208 WeakPolarHBondContact O-CG2 3.42Å; C166-V208 HydrophobicContact CB-CB 4.32Å; C166-V208 HydrophobicContact CB-CG1 3.95Å; C166-V208 HydrophobicContact CB-CG2 3.63Å; A183-V208 HydrophobicContact CB-CG2 4.22Å; A183-V208 VanDerWaalsContact O-CG2 3.23Å; A183-V208 WeakPolarHBondContact O-CG2 3.34Å; V185-V208 HydrophobicContact CB-CB 4.26Å; V185-V208 HydrophobicContact CB-CG2 4.5Å; V185-V208 HydrophobicContact CG2-CB 3.86Å; V185-V208 HydrophobicContact CG2-CG2 4.02Å; L204-V208 WeakPolarHBondContact O-CG1 3.36Å; L204-V208 PolarHBondContact O-N 3.28Å; Q205-V208 WeakPolarHBondContact O-CG1 3.12Å; R206-V208 PolarHBondContact O-N 2.95Å; V208-K211 PolarHBondContact O-N 3.5Å; V208-A212 WeakPolarHBondContact O-CB 3.47Å; V208-A212 PolarHBondContact O-N 3.14Å
209R97.9Very high95.8Very high92 Ų9256.4 Ų56.435%0.34726%0.26SS..Hα-helixtrans-65-44.6176.2-73.7-178.1-66.7172.1-0.4111.4I136 L139 M168 Q205 R206 S207 K211 A212 L213I136-R209 HydrophobicContact CD1-CG 4.27Å; L139-R209 HydrophobicContact CD1-CG 4.46Å; M168-R209 HydrophobicContact CE-CB 4.3Å; Q205-R209 WeakPolarHBondContact O-CG 3.47Å; Q205-R209 PolarHBondContact O-NE 3.48Å; R206-R209 PolarHBondContact O-N 2.9Å; S207-R209 PolarHBondContact O-N 3.21Å; R209-K211 VanDerWaalsContact C-N 3.34Å; R209-K211 PolarHBondContact O-N 3.23Å; R209-A212 PolarHBondContact O-N 3.35Å; R209-L213 WeakPolarHBondContact O-CB 3.41Å; R209-L213 PolarHBondContact O-N 3.39Å
210E97.6Very high96Very high76 Ų7649.9 Ų49.936%0.35523%0.229SC..Hα-helixtrans-61.3-43.5177.6-70.1178.9-170.100111.3H116 R206 S207 L213 V214H116-E210 HydrophobicContact CB-CB 4.1Å; H116-E210 HydrophobicContact CB-CG 4.28Å; R206-E210 WeakPolarHBondContact CD-OE1 2.85Å; R206-E210 HydrophobicContact CG-CG 4.41Å; R206-E210 VanDerWaalsContact CG-OE1 3.25Å; R206-E210 WeakPolarHBondContact CG-OE1 3.36Å; R206-E210 WeakPolarHBondContact O-CG 3.17Å; R206-E210 PolarHBondContact O-N 2.76Å; S207-E210 PolarHBondContact O-N 3.14Å; E210-L213 PolarHBondContact O-N 3.32Å; E210-V214 VanDerWaalsContact O-CG2 3.29Å; E210-V214 WeakPolarHBondContact O-CG2 3.18Å; E210-V214 PolarHBondContact O-N 2.98Å
211K97.3Very high96.2Very high107 Ų10747.6 Ų47.647%0.46522%0.223SC..Hα-helixtrans-66.8-41.4176.8-73.9-171.4-173.1-179.50113A183 V185 S207 V208 R209 L213 V214 Q215A183-K211 HydrophobicContact CB-CB 3.62Å; V185-K211 HydrophobicContact CG2-CD 3.66Å; S207-K211 WeakPolarHBondContact O-CG 3.4Å; S207-K211 PolarHBondContact O-N 2.71Å; V208-K211 PolarHBondContact O-N 3.5Å; R209-K211 VanDerWaalsContact C-N 3.34Å; R209-K211 PolarHBondContact O-N 3.23Å; K211-L213 VanDerWaalsContact C-N 3.31Å; K211-L213 PolarHBondContact O-N 2.91Å; K211-V214 PolarHBondContact O-N 2.76Å; K211-Q215 WeakPolarHBondContact O-CB 3.29Å; K211-Q215 PolarHBondContact O-N 2.81Å
212A97.8Very high96.3Very high0 Ų043.1 Ų43.10%021%0.206CC..Hα-helixtrans-62.3-41.1177.100000111.1C166 M168 A183 V208 R209 Q215 A216C166-A212 HydrophobicContact CB-CB 4.1Å; M168-A212 HydrophobicContact CB-CB 3.97Å; A183-A212 HydrophobicContact CB-CB 3.95Å; V208-A212 WeakPolarHBondContact O-CB 3.47Å; V208-A212 PolarHBondContact O-N 3.14Å; R209-A212 PolarHBondContact O-N 3.35Å; A212-Q215 PolarHBondContact O-N 3.15Å; A212-A216 PolarHBondContact O-N 3.02Å
213L97.7Very high96.3Very high7 Ų740.6 Ų40.64%0.03719%0.187CC..Hα-helixtrans-63.7-46.2174.4178.9146.6000112.1C119 L120 M168 L170 R209 E210 K211 Q215 A216 F217C119-L213 HydrophobicContact CB-CD2 4.47Å; L120-L213 HydrophobicContact CD2-CD1 4.44Å; L120-L213 HydrophobicContact CD2-CD2 4.43Å; M168-L213 HydrophobicContact CE-CB 4.48Å; M168-L213 HydrophobicContact CG-CB 4.33Å; L170-L213 HydrophobicContact CD2-CG 4.49Å; R209-L213 WeakPolarHBondContact O-CB 3.41Å; R209-L213 PolarHBondContact O-N 3.39Å; E210-L213 PolarHBondContact O-N 3.32Å; K211-L213 VanDerWaalsContact C-N 3.31Å; K211-L213 PolarHBondContact O-N 2.91Å; L213-Q215 VanDerWaalsContact C-N 3.28Å; L213-Q215 PolarHBondContact O-N 3.2Å; L213-A216 WeakPolarHBondContact O-CB 3.01Å; L213-A216 PolarHBondContact O-N 2.8Å; L213-F217 HydrophobicContact CD1-CE2 4.39Å; L213-F217 HydrophobicContact CD2-CD2 3.51Å; L213-F217 HydrophobicContact CD2-CE2 3.58Å; L213-F217 HydrophobicContact CG-CD2 3.94Å; L213-F217 HydrophobicContact CG-CE2 3.87Å; L213-F217 WeakPolarHBondContact O-CD2 3.37Å; L213-F217 PolarHBondContact O-N 2.9Å
214V97.3Very high96.2Very high17 Ų1735.6 Ų35.610%0.10317%0.166CC..Hα-helixtrans-61.4-40.2177.5167.60000111.1P113 L114 H116 E210 K211 F217 S218P113-V214 HydrophobicContact CB-CG1 3.59Å; P113-V214 HydrophobicContact CG-CG1 3.89Å; L114-V214 WeakPolarHBondContact O-CG1 3.45Å; H116-V214 HydrophobicContact CB-CG2 4.06Å; E210-V214 VanDerWaalsContact O-CG2 3.29Å; E210-V214 WeakPolarHBondContact O-CG2 3.18Å; E210-V214 PolarHBondContact O-N 2.98Å; K211-V214 PolarHBondContact O-N 2.76Å; V214-F217 PolarHBondContact O-N 3.2Å; V214-S218 PolarHBondContact O-N 2.9Å; V214-S218 VanDerWaalsContact O-N 3.12Å
215Q96.2Very high95.9Very high83 Ų8337.2 Ų37.239%0.38817%0.174SC..Hα-helixtrans-66.4-40.9176.7-167.5-77.7-22.400110.9K211 A212 L213 F217 S218K211-Q215 WeakPolarHBondContact O-CB 3.29Å; K211-Q215 PolarHBondContact O-N 2.81Å; A212-Q215 PolarHBondContact O-N 3.15Å; L213-Q215 VanDerWaalsContact C-N 3.28Å; L213-Q215 PolarHBondContact O-N 3.2Å; Q215-F217 VanDerWaalsContact C-N 3.35Å; Q215-F217 PolarHBondContact O-N 2.87Å; Q215-S218 VanDerWaalsContact O-CB 3.29Å; Q215-S218 WeakPolarHBondContact O-CB 3.39Å; Q215-S218 PolarHBondContact O-N 3.1Å; Q215-S218 PolarHBondContact O-OG 2.88Å
216A96.5Very high94.9Very high0 Ų037.7 Ų37.70%019%0.193CC..Hα-helixtrans-60.7-40.917400000112.5L170 T179 A212 L213 S218 S219L170-A216 HydrophobicContact CD1-CB 3.57Å; L170-A216 HydrophobicContact CG-CB 3.71Å; T179-A216 WeakPolarHBondContact CG2-O 3.37Å; A212-A216 PolarHBondContact O-N 3.02Å; L213-A216 WeakPolarHBondContact O-CB 3.01Å; L213-A216 PolarHBondContact O-N 2.8Å; A216-S218 PolarHBondContact O-N 3.23Å; A216-S219 PolarHBondContact O-OG 3.41Å; A216-S219 VanDerWaalsContact O-OG 3.05Å
217F96.8Very high94Very high0 Ų034.7 Ų34.70%019%0.189CC..Hα-helixtrans-67.4-22.9175-87.5-67.5000113.4F10 C119 A123 W132 L170 F172 L213 V214 Q215 S219 V220F10-F217 HydrophobicContact CB-CB 4.07Å; F10-F217 HydrophobicContact CD1-CB 4.12Å; F10-F217 AromaticContact CD1-CD1 3.84Å; F10-F217 HydrophobicContact CD1-CD1 3.84Å; F10-F217 HydrophobicContact CD1-CG 4.12Å; F10-F217 HydrophobicContact CD2-CB 4.41Å; F10-F217 HydrophobicContact CD2-CD1 4.06Å; F10-F217 WeakPolarHBondContact CD2-O 3.42Å; F10-F217 AromaticContact CE1-CD1 3.6Å; F10-F217 HydrophobicContact CE1-CD1 3.6Å; F10-F217 AromaticContact CE1-CE1 3.9Å; F10-F217 HydrophobicContact CE1-CE1 3.9Å; F10-F217 HydrophobicContact CE1-CG 4.27Å; F10-F217 AromaticContact CE2-CD1 3.85Å; F10-F217 HydrophobicContact CE2-CD1 3.85Å; F10-F217 HydrophobicContact CE2-CE1 4.41Å; F10-F217 HydrophobicContact CG-CB 3.95Å; F10-F217 HydrophobicContact CG-CD1 4.06Å; F10-F217 HydrophobicContact CG-CG 4.34Å; F10-F217 AromaticContact CZ-CD1 3.61Å; F10-F217 HydrophobicContact CZ-CD1 3.61Å; F10-F217 AromaticContact CZ-CE1 3.82Å; F10-F217 HydrophobicContact CZ-CE1 3.82Å; C119-F217 HydrophobicContact CB-CB 4.46Å; C119-F217 HydrophobicContact CB-CD2 3.75Å; C119-F217 HydrophobicContact CB-CE2 4.16Å; C119-F217 HydrophobicContact CB-CG 4.09Å; A123-F217 HydrophobicContact CB-CE1 3.87Å; A123-F217 HydrophobicContact CB-CZ 3.97Å; W132-F217 HydrophobicContact CD2-CZ 4.06Å; W132-F217 HydrophobicContact CE3-CE2 4.38Å; W132-F217 AromaticContact CE3-CZ 3.66Å; W132-F217 HydrophobicContact CE3-CZ 3.66Å; W132-F217 HydrophobicContact CH2-CE2 4.05Å; W132-F217 AromaticContact CH2-CZ 3.83Å; W132-F217 HydrophobicContact CH2-CZ 3.83Å; W132-F217 HydrophobicContact CZ2-CZ 4.19Å; W132-F217 AromaticContact CZ3-CE2 3.83Å; W132-F217 HydrophobicContact CZ3-CE2 3.83Å; W132-F217 AromaticContact CZ3-CZ 3.54Å; W132-F217 HydrophobicContact CZ3-CZ 3.54Å; L170-F217 HydrophobicContact CD1-CB 4.31Å; L170-F217 HydrophobicContact CD1-CD1 3.75Å; L170-F217 HydrophobicContact CD1-CD2 3.6Å; L170-F217 HydrophobicContact CD1-CE1 3.89Å; L170-F217 HydrophobicContact CD1-CE2 3.73Å; L170-F217 HydrophobicContact CD1-CG 3.61Å; L170-F217 HydrophobicContact CD1-CZ 3.88Å; L170-F217 HydrophobicContact CD2-CE2 4Å; L170-F217 HydrophobicContact CD2-CZ 4.25Å; F172-F217 HydrophobicContact CE1-CE1 4.48Å; F172-F217 HydrophobicContact CZ-CE1 4.12Å; L213-F217 HydrophobicContact CD1-CE2 4.39Å; L213-F217 HydrophobicContact CD2-CD2 3.51Å; L213-F217 HydrophobicContact CD2-CE2 3.58Å; L213-F217 HydrophobicContact CG-CD2 3.94Å; L213-F217 HydrophobicContact CG-CE2 3.87Å; L213-F217 WeakPolarHBondContact O-CD2 3.37Å; L213-F217 PolarHBondContact O-N 2.9Å; V214-F217 PolarHBondContact O-N 3.2Å; Q215-F217 VanDerWaalsContact C-N 3.35Å; Q215-F217 PolarHBondContact O-N 2.87Å; F217-S219 PolarHBondContact O-N 3.04Å; F217-V220 HydrophobicContact CD1-CG2 4.29Å; F217-V220 WeakPolarHBondContact O-CB 3.36Å; F217-V220 PolarHBondContact O-N 3.04Å
218S94.1Very high93.2Very high34 Ų3436.3 Ų36.324%0.23821%0.211CC..Hα-helixtrans-66-24.6-176.678.80000113.8V214 Q215 A216 K235V214-S218 PolarHBondContact O-N 2.9Å; V214-S218 VanDerWaalsContact O-N 3.12Å; Q215-S218 VanDerWaalsContact O-CB 3.29Å; Q215-S218 WeakPolarHBondContact O-CB 3.39Å; Q215-S218 PolarHBondContact O-N 3.1Å; Q215-S218 PolarHBondContact O-OG 2.88Å; A216-S218 PolarHBondContact O-N 3.23Å; S218-K235 PolarHBondContact O-NZ 3.15Å
219S94Very high92.8Very high6 Ų642.7 Ų42.74%0.04224%0.239CC..THydrogen-bonded Turntrans-85-10.2172.663.80000113.3T179 A216 F217 L234 K235T179-S219 PolarHBondContact OG1-OG 2.83Å; A216-S219 PolarHBondContact O-OG 3.41Å; A216-S219 VanDerWaalsContact O-OG 3.05Å; F217-S219 PolarHBondContact O-N 3.04Å; S219-L234 CarbonylContact O-C 3.56Å; S219-L234 WeakPolarHBondContact O-CA 3.33Å; S219-K235 PolarHBondContact O-N 2.91Å
220V96Very high92.6Very high0 Ų039.5 Ų39.50%023%0.229CC..EExtended strand (participates in β ladder)trans-83.8137.7-178.6-174.10000110.9F10 F172 T179 F217 L222 V232 L234F10-V220 HydrophobicContact CD2-CB 3.97Å; F10-V220 HydrophobicContact CD2-CG1 4.3Å; F10-V220 HydrophobicContact CE2-CB 3.92Å; F10-V220 HydrophobicContact CE2-CG1 3.76Å; F172-V220 HydrophobicContact CE2-CG1 4.26Å; F172-V220 HydrophobicContact CE2-CG2 3.77Å; F172-V220 HydrophobicContact CZ-CG1 3.98Å; F172-V220 HydrophobicContact CZ-CG2 3.85Å; T179-V220 HydrophobicContact CG2-CG2 3.83Å; F217-V220 HydrophobicContact CD1-CG2 4.29Å; F217-V220 WeakPolarHBondContact O-CB 3.36Å; F217-V220 PolarHBondContact O-N 3.04Å; V220-L222 HydrophobicContact CG1-CD2 4.41Å; V220-V232 HydrophobicContact CG1-CG1 3.73Å; V220-L234 HydrophobicContact CG2-CD2 3.98Å
221L95.6Very high92.4Very high31 Ų3139.5 Ų39.516%0.16223%0.23CC..EExtended strand (participates in β ladder)trans-118.4131.8171.8-64.2176.4000109.3I7 E9 V232 E233 K235I7-L221 HydrophobicContact CG2-CB 4.49Å; I7-L221 HydrophobicContact CG2-CD2 4.06Å; E9-L221 HydrophobicContact CG-CD2 3.68Å; L221-V232 WeakPolarHBondContact O-CA 3.13Å; L221-E233 HydrophobicContact CB-CB 4.18Å; L221-E233 PolarHBondContact N-O 3.26Å; L221-E233 PolarHBondContact O-N 3.4Å; L221-K235 HydrophobicContact CD1-CG 3.9Å; L221-K235 HydrophobicContact CD2-CD 4.41Å; L221-K235 HydrophobicContact CD2-CG 4.17Å; L221-K235 HydrophobicContact CG-CG 3.89Å
222L95.6Very high92.3Very high0 Ų034.6 Ų34.60%021%0.209CC..EExtended strand (participates in β ladder)trans-102.7116.6169.5-56.6179.6000108.5L8 F10 L122 Y126 L127 V220 V230 V232L8-L222 HydrophobicContact CB-CB 4.1Å; L8-L222 PolarHBondContact N-O 3.2Å; L8-L222 PolarHBondContact O-N 3.37Å; F10-L222 HydrophobicContact CE2-CD1 4.03Å; F10-L222 HydrophobicContact CE2-CD2 4.28Å; F10-L222 HydrophobicContact CE2-CG 3.87Å; F10-L222 HydrophobicContact CZ-CD1 3.9Å; F10-L222 HydrophobicContact CZ-CG 4.22Å; L122-L222 HydrophobicContact CG-CD1 4.43Å; Y126-L222 HydrophobicContact CD2-CD1 3.57Å; Y126-L222 HydrophobicContact CE2-CD1 4.32Å; Y126-L222 HydrophobicContact CG-CD1 4.18Å; L127-L222 HydrophobicContact CD1-CD2 4.24Å; L127-L222 HydrophobicContact CD2-CD2 4.11Å; L127-L222 HydrophobicContact CG-CD2 4.38Å; V220-L222 HydrophobicContact CG1-CD2 4.41Å; L222-V230 HydrophobicContact CB-CG1 4.35Å; L222-V230 HydrophobicContact CD2-CG1 4.42Å; L222-V232 HydrophobicContact CD2-CG2 3.92Å
223I94.7Very high92.2Very high25 Ų2538.7 Ų38.713%0.12823%0.228CC..EExtended strand (participates in β ladder)trans-98.8110.5177.5-58.6175.2000107.6V5 L225 V230 M231 E233V5-I223 HydrophobicContact CG1-CG2 3.56Å; I223-L225 HydrophobicContact CG2-CD2 4.12Å; I223-V230 CarbonylContact O-C 3.52Å; I223-V230 WeakPolarHBondContact O-CA 3.3Å; I223-M231 HydrophobicContact CB-CB 4.26Å; I223-M231 HydrophobicContact CD1-CE 3.67Å; I223-M231 PolarHBondContact N-O 3.21Å; I223-M231 PolarHBondContact O-N 3.13Å; I223-E233 HydrophobicContact CD1-CB 4.06Å; I223-E233 HydrophobicContact CD1-CG 3.51Å
224L92.6Very high92.1Very high17 Ų1740.5 Ų40.59%0.08924%0.238CC..EExtended strand (participates in β ladder)trans-90.3122.9177.8-51.7-177.4000109.1V5 D6 L8 Y126 V230V5-L224 WeakPolarHBondContact CA-O 3.49Å; D6-L224 HydrophobicContact CB-CB 4.39Å; D6-L224 PolarHBondContact N-O 2.79Å; D6-L224 PolarHBondContact O-N 3.38Å; L8-L224 HydrophobicContact CD1-CD1 3.42Å; L8-L224 VanDerWaalsContact CD1-CD1 3.42Å; L8-L224 HydrophobicContact CD1-CG 3.84Å; L8-L224 HydrophobicContact CD2-CD1 3.91Å; L8-L224 HydrophobicContact CG-CD1 4.3Å; Y126-L224 HydrophobicContact CD1-CD2 3.62Å; Y126-L224 HydrophobicContact CE1-CD1 3.86Å; Y126-L224 HydrophobicContact CE1-CD2 3.48Å; Y126-L224 VanDerWaalsContact CE1-CD2 3.48Å; Y126-L224 HydrophobicContact CE1-CG 4.34Å; Y126-L224 HydrophobicContact CE2-CD2 4.5Å; Y126-L224 HydrophobicContact CG-CD2 4.23Å; Y126-L224 WeakPolarHBondContact OH-CD1 3.42Å; L224-V230 HydrophobicContact CD2-CB 4.41Å; L224-V230 HydrophobicContact CD2-CG1 4.08Å; L224-V230 HydrophobicContact CD2-CG2 3.67Å
225L88.9Confident91.7Very high40 Ų4041.9 Ų41.921%0.20924%0.243CC..EExtended strand (participates in β ladder)trans-97.1141.6175.2-54.3177.6000108.7M3 V5 I223 N227 G228 K229M3-L225 HydrophobicContact SD-CD2 3.87Å; V5-L225 HydrophobicContact CG1-CD2 4.44Å; V5-L225 HydrophobicContact CG2-CD2 4.03Å; I223-L225 HydrophobicContact CG2-CD2 4.12Å; L225-N227 WeakPolarHBondContact CB-OD1 3.25Å; L225-N227 PolarHBondContact O-N 2.92Å; L225-G228 PolarHBondContact O-N 2.96Å; L225-K229 HydrophobicContact CB-CB 4.32Å; L225-K229 WeakPolarHBondContact CB-O 3.46Å; L225-K229 HydrophobicContact CD1-CB 4.06Å; L225-K229 PolarHBondContact N-O 3.37Å
226G75.7Confident90.5Very high62 Ų6246.8 Ų46.864%0.63927%0.266SS*.THydrogen-bonded Turntrans-58.7-5.4-176.500000116.8E4E4-G226 PolarHBondContact O-N 2.78Å
227N77.4Confident88.7Confident96 Ų9649.9 Ų49.951%0.51329%0.285SS..THydrogen-bonded Turntrans-94.39.9170.964.3-1.6000113.6L225 K229L225-N227 WeakPolarHBondContact CB-OD1 3.25Å; L225-N227 PolarHBondContact O-N 2.92Å; N227-K229 VanDerWaalsContact C-N 3.29Å; N227-K229 PolarHBondContact O-N 2.99Å; N227-K229 VanDerWaalsContact OD1-CB 3.28Å; N227-K229 WeakPolarHBondContact OD1-CB 3.34Å; N227-K229 WeakPolarHBondContact OD1-CG 3.3Å; N227-K229 PolarHBondContact OD1-N 3.29Å; N227-K229 VanDerWaalsContact OD1-N 3.11Å
228G79.5Confident86.5Confident69 Ų6956.3 Ų56.371%0.71133%0.329SS*.SBendtrans812.3-178.100000114.5L225L225-G228 PolarHBondContact O-N 2.96Å
229K89Confident84.2Confident135 Ų13560.8 Ų60.859%0.58735%0.351SS*.  trans-76145.4172.4-65.6-175.6-175.9-175.30110.2L225 N227L225-K229 HydrophobicContact CB-CB 4.32Å; L225-K229 WeakPolarHBondContact CB-O 3.46Å; L225-K229 HydrophobicContact CD1-CB 4.06Å; L225-K229 PolarHBondContact N-O 3.37Å; N227-K229 VanDerWaalsContact C-N 3.29Å; N227-K229 PolarHBondContact O-N 2.99Å; N227-K229 VanDerWaalsContact OD1-CB 3.28Å; N227-K229 WeakPolarHBondContact OD1-CB 3.34Å; N227-K229 WeakPolarHBondContact OD1-CG 3.3Å; N227-K229 PolarHBondContact OD1-N 3.29Å; N227-K229 VanDerWaalsContact OD1-N 3.11Å
230V93.6Very high81.9Confident25 Ų2566.3 Ų66.315%0.15238%0.376CS..EExtended strand (participates in β ladder)trans-118.1140.3176-1760000108.4Y126 L127 Y175 L222 I223 L224Y126-V230 HydrophobicContact CD1-CG2 3.92Å; Y126-V230 HydrophobicContact CG-CG2 4.43Å; L127-V230 HydrophobicContact CD2-CG1 4.16Å; Y175-V230 WeakPolarHBondContact CE1-O 3.09Å; Y175-V230 PolarHBondContact OH-O 3.45Å; Y175-V230 VanDerWaalsContact OH-O 3.12Å; L222-V230 HydrophobicContact CB-CG1 4.35Å; L222-V230 HydrophobicContact CD2-CG1 4.42Å; I223-V230 CarbonylContact O-C 3.52Å; I223-V230 WeakPolarHBondContact O-CA 3.3Å; L224-V230 HydrophobicContact CD2-CB 4.41Å; L224-V230 HydrophobicContact CD2-CG1 4.08Å; L224-V230 HydrophobicContact CD2-CG2 3.67Å
231M94Very high79.5Confident75 Ų7574 Ų7437%0.36941%0.409SS..EExtended strand (participates in β ladder)trans-120.4145.5169-172.9167.77700109.2I223 E233I223-M231 HydrophobicContact CB-CB 4.26Å; I223-M231 HydrophobicContact CD1-CE 3.67Å; I223-M231 PolarHBondContact N-O 3.21Å; I223-M231 PolarHBondContact O-N 3.13Å; M231-E233 HydrophobicContact CE-CG 4.04Å
232V96.3Very high76.8Confident4 Ų480.8 Ų80.82%0.02444%0.441CS..EExtended strand (participates in β ladder)trans-107.3124.1176.7-178.20000108.3L127 F172 Y175 V220 L221 L222L127-V232 HydrophobicContact CD1-CG2 4.1Å; L127-V232 HydrophobicContact CD2-CG2 3.53Å; L127-V232 HydrophobicContact CG-CG2 4.48Å; F172-V232 HydrophobicContact CB-CG1 4.47Å; F172-V232 HydrophobicContact CD1-CG1 4.23Å; F172-V232 HydrophobicContact CD1-CG2 4.39Å; F172-V232 HydrophobicContact CD2-CG1 4.02Å; F172-V232 HydrophobicContact CE1-CG1 4.5Å; F172-V232 HydrophobicContact CE2-CG1 4.3Å; F172-V232 HydrophobicContact CG-CG1 3.98Å; Y175-V232 HydrophobicContact CD1-CB 4.32Å; Y175-V232 HydrophobicContact CD1-CG2 4.38Å; Y175-V232 HydrophobicContact CD2-CB 3.89Å; Y175-V232 HydrophobicContact CD2-CG2 3.54Å; Y175-V232 HydrophobicContact CE1-CG2 4.36Å; Y175-V232 HydrophobicContact CE2-CB 4.32Å; Y175-V232 HydrophobicContact CE2-CG2 3.5Å; Y175-V232 VanDerWaalsContact CE2-CG2 3.5Å; Y175-V232 HydrophobicContact CG-CB 3.87Å; Y175-V232 HydrophobicContact CG-CG2 3.99Å; V220-V232 HydrophobicContact CG1-CG1 3.73Å; L221-V232 WeakPolarHBondContact O-CA 3.13Å; L222-V232 HydrophobicContact CD2-CG2 3.92Å
233E95.3Very high74.2Confident86 Ų8683.5 Ų83.540%0.40246%0.463SS..EExtended strand (participates in β ladder)trans-122.9156.8175.3-79-69.5173.600109.9L221 I223 M231L221-E233 HydrophobicContact CB-CB 4.18Å; L221-E233 PolarHBondContact N-O 3.26Å; L221-E233 PolarHBondContact O-N 3.4Å; I223-E233 HydrophobicContact CD1-CB 4.06Å; I223-E233 HydrophobicContact CD1-CG 3.51Å; M231-E233 HydrophobicContact CE-CG 4.04Å
234L94.1Very high71.5Confident46 Ų4688.2 Ų88.224%0.24149%0.488CS..EExtended strand (participates in β ladder)trans-108.9138.4173.1-59.5-178.5000110.5V177 T178 T179 S219 V220 Q236V177-L234 HydrophobicContact CG1-CD1 3.41Å; V177-L234 VanDerWaalsContact CG1-CD1 3.41Å; V177-L234 HydrophobicContact CG1-CD2 3.69Å; V177-L234 HydrophobicContact CG1-CG 3.33Å; T178-L234 VanDerWaalsContact O-CD1 3.23Å; T178-L234 WeakPolarHBondContact O-CD1 3.48Å; T179-L234 HydrophobicContact CG2-CD2 4.1Å; S219-L234 CarbonylContact O-C 3.56Å; S219-L234 WeakPolarHBondContact O-CA 3.33Å; V220-L234 HydrophobicContact CG2-CD2 3.98Å; L234-Q236 PolarHBondContact O-N 3.49Å
235K90.9Very high69.1Low46 Ų4696 Ų9620%0.252%0.524CS..  trans-62.8130.7164.2-64.8176.2-173.2158.30107.9E9 S218 S219 L221 T237E9-K235 IonicContact OE2-NZ 2.72Å; E9-K235 PolarHBondContact OE2-NZ 3.23Å; S218-K235 PolarHBondContact O-NZ 3.15Å; S219-K235 PolarHBondContact O-N 2.91Å; L221-K235 HydrophobicContact CD1-CG 3.9Å; L221-K235 HydrophobicContact CD2-CD 4.41Å; L221-K235 HydrophobicContact CD2-CG 4.17Å; L221-K235 HydrophobicContact CG-CG 3.89Å; K235-T237 VanDerWaalsContact C-N 3.26Å; K235-T237 HydrophobicContact CB-CG2 4.33Å; K235-T237 PolarHBondContact O-N 2.99Å
236Q70.8Confident66.9Low186 Ų18699 Ų9987%0.86954%0.544SS*.  trans-64.593.9163-75177.6-19.600108.2L234L234-Q236 PolarHBondContact O-N 3.49Å
237T59Low65.1Low65 Ų65104.4 Ų104.440%0.39955%0.553SS.*  trans-92.7127.4166.650.60000107K235 D239 Q240K235-T237 VanDerWaalsContact C-N 3.26Å; K235-T237 HydrophobicContact CB-CG2 4.33Å; K235-T237 PolarHBondContact O-N 2.99Å; T237-D239 PolarHBondContact O-N 3.2Å; T237-Q240 PolarHBondContact O-N 2.93Å
238S49.8Very low63.4Low135 Ų135106.3 Ų106.394%0.94456%0.563SS**THydrogen-bonded Turntrans-57.6-7.5177.9-56.30000114.6Q240S238-Q240 VanDerWaalsContact C-N 3.33Å
239D46.3Very low61.7Low127 Ų127108.5 Ų108.568%0.67956%0.562SS**THydrogen-bonded Turntrans-9228.5176.3-101.11.8000113.3T237 F241T237-D239 PolarHBondContact O-N 3.2Å; D239-F241 VanDerWaalsContact C-N 3.28Å; D239-F241 PolarHBondContact O-N 2.8Å
240Q45.7Very low59.8Low123 Ų123108.1 Ų108.158%0.57557%0.566SS**  trans-62.698.9165.6-72.8-175.59.400107.2T237 S238 E242T237-Q240 PolarHBondContact O-N 2.93Å; S238-Q240 VanDerWaalsContact C-N 3.33Å; Q240-E242 PolarHBondContact O-N 3.09Å
241F44.7Very low57.6Low160 Ų160115.1 Ų115.170%0.70260%0.597SS**  trans-60.488.8161.6-77.6-89.8000106.6D239 A243D239-F241 VanDerWaalsContact C-N 3.28Å; D239-F241 PolarHBondContact O-N 2.8Å; F241-A243 PolarHBondContact O-N 2.97Å
242E39.5Very low55Low175 Ų175117.5 Ų117.582%0.81862%0.615SS**  trans-61.883.1160.5-70.2-172.4168.700106.9Q240Q240-E242 PolarHBondContact O-N 3.09Å
243A40.9Very low52.7Low56 Ų56123.7 Ų123.746%0.46365%0.648SS.*  trans-99.272148.200000104.6F241 E245F241-A243 PolarHBondContact O-N 2.97Å; A243-E245 PolarHBondContact O-N 3.23Å; A243-E245 VanDerWaalsContact O-N 3.14Å
244D36.7Very low50.3Low124 Ų124128.1 Ų128.166%0.66367%0.669SS**  trans-69.497.3153.7-157.328.5000104.5T246D244-T246 PolarHBondContact O-N 3.45Å; D244-T246 WeakPolarHBondContact OD2-CG2 3.34Å
245E43.8Very low47.5Very low182 Ų182134.1 Ų134.185%0.8569%0.693SS**  trans-66.773.7160.1-73.3175.116100106.4A243A243-E245 PolarHBondContact O-N 3.23Å; A243-E245 VanDerWaalsContact O-N 3.14Å
246T41.4Very low45.3Very low101 Ų101136.8 Ų136.862%0.6272%0.718SS**  trans-80.5112151.538.50000105.3D244 D248D244-T246 PolarHBondContact O-N 3.45Å; D244-T246 WeakPolarHBondContact OD2-CG2 3.34Å; T246-D248 PolarHBondContact O-N 3.35Å
247E39.4Very low43.7Very low177 Ų177135 Ų13583%0.82771%0.713SS**  trans-48.1107160-66.4178.3147.200107.2V249E247-V249 HydrophobicContact CB-CG2 4.16Å; E247-V249 PolarHBondContact O-N 2.77Å
248D40.1Very low42.6Very low135 Ų135137.2 Ų137.272%0.72273%0.732SS**  trans-69.471.1169.7-164.928000107.6T246 L250T246-D248 PolarHBondContact O-N 3.35Å; D248-L250 PolarHBondContact O-N 2.82Å; D248-L250 VanDerWaalsContact O-N 3.13Å
249V45Very low42.1Very low115 Ų115138.1 Ų138.170%0.69773%0.726SS**  trans-79.384.5162.4-175.80000105.3E247 E251E247-V249 HydrophobicContact CB-CG2 4.16Å; E247-V249 PolarHBondContact O-N 2.77Å; V249-E251 VanDerWaalsContact C-N 3.28Å; V249-E251 PolarHBondContact O-N 2.88Å
250L49Very low41.6Very low128 Ų128140.6 Ų140.667%0.6773%0.734SS**  trans-59.896.4159.7-84.1154.5000107.5D248 V252D248-L250 PolarHBondContact O-N 2.82Å; D248-L250 VanDerWaalsContact O-N 3.13Å; L250-V252 VanDerWaalsContact C-N 3.28Å; L250-V252 PolarHBondContact O-N 2.92Å
251E47.8Very low41.1Very low171 Ų171142.5 Ų142.580%0.79974%0.743SS**  trans-68.392.2166.3-168.5175.2-165.100107.5V249 N253V249-E251 VanDerWaalsContact C-N 3.28Å; V249-E251 PolarHBondContact O-N 2.88Å; E251-N253 PolarHBondContact O-N 2.91Å
252V38.4Very low40.7Very low125 Ų125143.3 Ų143.376%0.75875%0.749SS**  trans-73.895.5174.8-1700000107.3L250 E254L250-V252 VanDerWaalsContact C-N 3.28Å; L250-V252 PolarHBondContact O-N 2.92Å; V252-E254 PolarHBondContact O-N 2.68Å; V252-E254 VanDerWaalsContact O-N 3.11Å
253N48.9Very low40.5Very low134 Ų134139.6 Ų139.672%0.71775%0.748SS**  trans-66.4108.8164.2-103.3-22.2000108E251 F255E251-N253 PolarHBondContact O-N 2.91Å; N253-F255 PolarHBondContact O-N 3.34Å
254E43.5Very low40.4Very low180 Ų180144.1 Ų144.184%0.84176%0.764SS**  trans-67.694.5171.8-168.8178.5-159.300108.3V252 S256V252-E254 PolarHBondContact O-N 2.68Å; V252-E254 VanDerWaalsContact O-N 3.11Å; E254-S256 PolarHBondContact O-N 2.86Å
255F35.3Very low40.7Very low171 Ų171145 Ų14575%0.7577%0.769SS**  trans-83.9105.7172.8-139-86.4000108.3N253 L257N253-F255 PolarHBondContact O-N 3.34Å; F255-L257 HydrophobicContact CD1-CD2 3.94Å; F255-L257 HydrophobicContact CD1-CG 3.98Å; F255-L257 HydrophobicContact CE1-CD2 4.14Å; F255-L257 PolarHBondContact O-N 2.95Å; F255-L257 VanDerWaalsContact O-N 3.08Å
256S45.3Very low40.6Very low103 Ų103145.1 Ų145.172%0.7277%0.77SS**  trans-70.298.9169.3-35.90000108.2E254 S258E254-S256 PolarHBondContact O-N 2.86Å; S256-S258 PolarHBondContact O-N 2.91Å
257L36.5Very low40.6Very low147 Ų147146.7 Ų146.777%0.7777%0.774SS**  trans-89.5102.6168.4-75.3167.3000107.9F255F255-L257 HydrophobicContact CD1-CD2 3.94Å; F255-L257 HydrophobicContact CD1-CG 3.98Å; F255-L257 HydrophobicContact CE1-CD2 4.14Å; F255-L257 PolarHBondContact O-N 2.95Å; F255-L257 VanDerWaalsContact O-N 3.08Å
258S37.7Very low40.7Very low112 Ų112148.4 Ų148.478%0.78377%0.773SS**  trans-64.4130.9165.1460000109.8S256S256-S258 PolarHBondContact O-N 2.91Å
259D38.3Very low40.9Very low154 Ų154148.3 Ų148.382%0.82477%0.772SS**  trans-58.4162.9167-70.8-48.5000112.1
260E35.6Very low40.7Very low180 Ų180149.9 Ų149.984%0.84178%0.776SS**  trans106.6133.6170.2-62.6175.3-169.600114.8
261E35.6Very low40.5Very low163 Ų163149.1 Ų149.176%0.76278%0.777SS**  cis-168.5148.1-15.7-118.6178.1-173.900105.6
262E35.6Very low39.9Very low177 Ų177147.2 Ų147.283%0.82778%0.777SS**  trans41.6141.9150.2-63.6-166.516300126.2
263A35.5Very low39.8Very low97 Ų97150.2 Ų150.280%0.80280%0.803SS**  trans71.9139.2153.800000117.4
264D38.2Very low39.4Very low151 Ų151151 Ų15181%0.80781%0.807SS**  cis-158.4160.433.9-152.2-1.4000110.1
265D44Very low39.2Very low142 Ų142149.5 Ų149.576%0.75981%0.806SS**  trans-60.3149.4177.3-65.3-52.5000113
266E41.5Very low39.4Very low185 Ų185148.3 Ų148.386%0.86481%0.809SS**  trans-173119133.5-104.4162-174.500114.1
267D40.6Very low39Very low133 Ų133150.9 Ų150.971%0.71181%0.814SS**  trans-58.5134.7168.8172.137.8000113.7D269D267-D269 PolarHBondContact OD1-N 2.93Å
268W41.4Very low39.2Very low214 Ų214151.2 Ų151.281%0.81182%0.817SS**  trans-148.988.3154.9-75.495.3000111.6
269D44.1Very low39.3Very low132 Ų132153.8 Ų153.871%0.70682%0.819SS**  trans-75.6117.1158.4-159.517.9000109.9D267D267-D269 PolarHBondContact OD1-N 2.93Å
270L41Very low39.4Very low149 Ų149153.8 Ų153.878%0.7882%0.819SS**  trans-147.9126.2163.4-86.1-178.3000112.7
271T45.4Very low39.7Very low112 Ų112151.8 Ų151.869%0.68782%0.817SS**  trans-90.7177.3-173.2400000113.6
272V35.2Very low40Very low131 Ų131150.8 Ų150.879%0.79482%0.821SS**  trans89.1126.1154.4-167.50000114.8
273S37.5Very low40.4Very low187 Ų187148.5 Ų148.5100%1.30882%0.821SS**  cis-135.7028-560000114

Retrieved 273 of 273 residues in 422.5 ms (Link to these results)

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