A0A060Y0I6_ONCMY Loading...

ADP-ribosylation factor-like protein 5A

AlphaFold DB (A0A674C7B6), UniProt , Accession A0A060Y0I6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 179 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
1M46.4Very low48.8Very low219 Ų219135.5 Ų135.5100%1.07966%0.658SS**  065.20-61.8-66.7-86.400108.7
2G42.8Very low48.6Very low43 Ų43137.9 Ų137.944%0.44366%0.664SS.*  cis121.910037.400000104.8L4 F5 T6G2-L4 PolarHBondContact O-N 2.82Å; G2-F5 WeakPolarHBondContact O-CA 3.43Å; G2-F5 WeakPolarHBondContact O-CB 3.39Å; G2-F5 PolarHBondContact O-N 3.14Å; G2-T6 PolarHBondContact O-N 3.24Å
3I55.9Low48.5Very low140 Ų140134.2 Ų134.272%0.71865%0.65SS**Hα-helixtrans-50.1-25.1-176-67.1157.6000112.6T6 K7I3-T6 PolarHBondContact O-N 3.39Å; I3-K7 PolarHBondContact O-N 2.94Å; I3-K7 VanDerWaalsContact O-N 3.1Å
4L51.9Low49.2Very low139 Ų139132.9 Ų132.973%0.72864%0.641SS**Hα-helixtrans-65.7-39.5173.5-14778.6000113G2 K7 L8G2-L4 PolarHBondContact O-N 2.82Å; L4-K7 PolarHBondContact O-N 2.74Å; L4-L8 WeakPolarHBondContact O-CB 3.48Å; L4-L8 PolarHBondContact O-N 3.44Å
5F49.5Very low50.8Low130 Ų130133.8 Ų133.857%0.5764%0.644SS**Hα-helixtrans-69.7-35176.5-157.7-93.8000111.1G2 L8 W9G2-F5 WeakPolarHBondContact O-CA 3.43Å; G2-F5 WeakPolarHBondContact O-CB 3.39Å; G2-F5 PolarHBondContact O-N 3.14Å; F5-L8 PolarHBondContact O-N 2.79Å; F5-W9 VanDerWaalsContact O-CB 3.24Å; F5-W9 WeakPolarHBondContact O-CB 3.33Å; F5-W9 PolarHBondContact O-N 2.77Å
6T53.2Low53Low87 Ų87132.8 Ų132.853%0.53464%0.638SS.*Hα-helixtrans-68.3-36.1174.4-19.30000111.9G2 I3 R10G2-T6 PolarHBondContact O-N 3.24Å; I3-T6 PolarHBondContact O-N 3.39Å; T6-R10 WeakPolarHBondContact O-CB 3.45Å; T6-R10 PolarHBondContact O-N 3.46Å
7K49.1Very low55.4Low140 Ų140126.1 Ų126.161%0.60961%0.606SS**Hα-helixtrans-70.8-40.8172.1-77.7-175.6175.6-175.30112.4I3 L4 R10 L11I3-K7 PolarHBondContact O-N 2.94Å; I3-K7 VanDerWaalsContact O-N 3.1Å; L4-K7 PolarHBondContact O-N 2.74Å; K7-R10 PolarHBondContact O-N 3.25Å; K7-L11 WeakPolarHBondContact O-CG 3.34Å; K7-L11 PolarHBondContact O-N 2.87Å; K7-L11 VanDerWaalsContact O-N 3.1Å
8L47.5Very low57.7Low92 Ų92121.7 Ų121.748%0.48258%0.584SS.*Hα-helixtrans-65.3-41.9175.4-130.879.5000111.2L4 F5 R10 L11 F12L4-L8 WeakPolarHBondContact O-CB 3.48Å; L4-L8 PolarHBondContact O-N 3.44Å; F5-L8 PolarHBondContact O-N 2.79Å; L8-R10 VanDerWaalsContact C-N 3.34Å; L8-R10 PolarHBondContact O-N 3.01Å; L8-L11 CarbonylContact O-C 3.55Å; L8-L11 WeakPolarHBondContact O-CA 3.48Å; L8-L11 WeakPolarHBondContact O-CB 3.38Å; L8-L11 PolarHBondContact O-N 3.14Å; L8-F12 VanDerWaalsContact O-CD2 3.29Å; L8-F12 WeakPolarHBondContact O-CD2 3.32Å; L8-F12 PolarHBondContact O-N 3.29Å; L8-F12 VanDerWaalsContact O-N 3.1Å
9W47.2Very low59.8Low154 Ų154115.3 Ų115.358%0.58355%0.553SS**Hα-helixtrans-69.3-32.5177.7-162.410.6000112.4F5 L11 F12 N13F5-W9 VanDerWaalsContact O-CB 3.24Å; F5-W9 WeakPolarHBondContact O-CB 3.33Å; F5-W9 PolarHBondContact O-N 2.77Å; W9-L11 VanDerWaalsContact C-N 3.26Å; W9-L11 PolarHBondContact O-N 3.22Å; W9-F12 CarbonylContact O-C 3.58Å; W9-F12 PolarHBondContact O-N 3.34Å; W9-F12 VanDerWaalsContact O-N 3.14Å; W9-N13 PolarHBondContact NE1-OD1 2.72Å; W9-N13 PolarHBondContact O-N 2.9Å
10R47.3Very low61.8Low217 Ų217109.6 Ų109.682%0.81953%0.525SS*.Hα-helixtrans-64.5-27.3167.3-110.7179.4160.3176.6-5.1113.7T6 K7 L8T6-R10 WeakPolarHBondContact O-CB 3.45Å; T6-R10 PolarHBondContact O-N 3.46Å; K7-R10 PolarHBondContact O-N 3.25Å; L8-R10 VanDerWaalsContact C-N 3.34Å; L8-R10 PolarHBondContact O-N 3.01Å
11L46.5Very low63.5Low129 Ų129104.3 Ų104.368%0.67550%0.5SS*.Hα-helixtrans-79-19.9172.8-76.9156.7000112.4K7 L8 W9K7-L11 WeakPolarHBondContact O-CG 3.34Å; K7-L11 PolarHBondContact O-N 2.87Å; K7-L11 VanDerWaalsContact O-N 3.1Å; L8-L11 CarbonylContact O-C 3.55Å; L8-L11 WeakPolarHBondContact O-CA 3.48Å; L8-L11 WeakPolarHBondContact O-CB 3.38Å; L8-L11 PolarHBondContact O-N 3.14Å; W9-L11 VanDerWaalsContact C-N 3.26Å; W9-L11 PolarHBondContact O-N 3.22Å
12F46.4Very low66Low165 Ų16594 Ų9472%0.72445%0.449SS*.Hα-helixtrans-100.7-15.3178.1-84-77000114.5L8 W9 H14L8-F12 VanDerWaalsContact O-CD2 3.29Å; L8-F12 WeakPolarHBondContact O-CD2 3.32Å; L8-F12 PolarHBondContact O-N 3.29Å; L8-F12 VanDerWaalsContact O-N 3.1Å; W9-F12 CarbonylContact O-C 3.58Å; W9-F12 PolarHBondContact O-N 3.34Å; W9-F12 VanDerWaalsContact O-N 3.14Å; F12-H14 PolarHBondContact O-N 3.23Å
13N47.3Very low68.6Low90 Ų9092 Ų9248%0.48143%0.429SS..  trans-95.583.3171.3-80.7-1.3000109.3W9 Q15W9-N13 PolarHBondContact NE1-OD1 2.72Å; W9-N13 PolarHBondContact O-N 2.9Å; N13-Q15 VanDerWaalsContact C-N 3.31Å; N13-Q15 PolarHBondContact O-N 2.75Å
14H57.4Low70.6Confident115 Ų11585.7 Ų85.753%0.53240%0.397SS..  trans-63.8102.3153.7-75-49000106.4F12 E16 H61F12-H14 PolarHBondContact O-N 3.23Å; H14-E16 PolarHBondContact O-N 3.18Å; H14-E16 VanDerWaalsContact O-N 3.09Å; H14-H61 AromaticContact CE1-NE2 3.88Å; H14-H61 AromaticContact CG-NE2 3.8Å; H14-H61 AromaticContact ND1-CD2 3.92Å; H14-H61 AromaticContact ND1-NE2 3.71Å
15Q73.4Confident72.7Confident147 Ų14781.3 Ų81.369%0.68737%0.374SS*.  trans-68.2107.9171.4-86-176.1-35.300107.3N13 H17N13-Q15 VanDerWaalsContact C-N 3.31Å; N13-Q15 PolarHBondContact O-N 2.75Å; Q15-H17 PolarHBondContact O-CD2 3Å; Q15-H17 PolarHBondContact O-NE2 3.12Å
16E86.7Confident74.8Confident118 Ų11880.8 Ų80.855%0.55138%0.377SS*.EExtended strand (participates in β ladder)trans-74.7126.6170-67.2172.1179.600108.7H14 H61 L63H14-E16 PolarHBondContact O-N 3.18Å; H14-E16 VanDerWaalsContact O-N 3.09Å; E16-H61 HydrophobicContact CG-CB 4.43Å; E16-L63 HydrophobicContact CB-CD1 4.14Å; E16-L63 HydrophobicContact CB-CG 4.33Å; E16-L63 HydrophobicContact CG-CD1 4.36Å; E16-L63 VanDerWaalsContact OE2-CD1 3.22Å; E16-L63 WeakPolarHBondContact OE2-CD1 3.49Å
17H93.7Very high77Confident18 Ų1876.8 Ų76.88%0.08335%0.353CS..EExtended strand (participates in β ladder)trans-99.7114.1178.7-64.1-69.3000109.7Q15 T60 H61 F62 L63 E85 L176Q15-H17 PolarHBondContact O-CD2 3Å; Q15-H17 PolarHBondContact O-NE2 3.12Å; H17-T60 VanDerWaalsContact CD2-CG2 3.4Å; H17-T60 WeakPolarHBondContact CD2-CG2 3.28Å; H17-H61 PolarHBondContact N-O 3.18Å; H17-F62 HydrophobicContact CB-CD1 3.7Å; H17-F62 HydrophobicContact CB-CE1 3.96Å; H17-F62 WeakPolarHBondContact O-CA 3.37Å; H17-L63 PolarHBondContact O-N 3.33Å; H17-E85 WeakPolarHBondContact CA-OE1 3.11Å; H17-E85 IonicContact CE1-OE1 3.58Å; H17-E85 IonicContact CE1-OE2 3.3Å; H17-E85 IonicContact CG-OE1 3.86Å; H17-E85 VanDerWaalsContact ND1-CD 3.31Å; H17-E85 IonicContact ND1-OE1 2.69Å; H17-E85 PolarHBondContact ND1-OE1 3.14Å; H17-E85 IonicContact ND1-OE2 3.59Å; H17-E85 PolarHBondContact ND1-OE2 3.05Å; H17-L176 VanDerWaalsContact CE1-CD2 3.48Å; H17-L176 WeakPolarHBondContact CE1-CD2 3.29Å; H17-L176 WeakPolarHBondContact ND1-CD2 3.24Å
18K96.5Very high79.2Confident48 Ų4870.8 Ų70.821%0.20933%0.331CS..EExtended strand (participates in β ladder)trans-76126.9178.5-177.5177173.7-177.70110.8Y80 T82 E85 F86K18-Y80 WeakPolarHBondContact CE-O 3.36Å; K18-Y80 PolarHBondContact NZ-O 2.95Å; K18-T82 PolarHBondContact NZ-O 3.2Å; K18-E85 PolarHBondContact O-N 3.33Å; K18-F86 PolarHBondContact O-N 2.81Å
19V98.1Very high81.6Confident0 Ų067 Ų670%031%0.311CS..EExtended strand (participates in β ladder)trans-127.5137.5178.2-176.20000109.1F62 L63 M64 W65 F86 I88 M172V19-F62 HydrophobicContact CG2-CB 4.34Å; V19-F62 HydrophobicContact CG2-CD1 3.69Å; V19-F62 HydrophobicContact CG2-CG 4.46Å; V19-L63 PolarHBondContact N-O 3.12Å; V19-M64 HydrophobicContact CB-CG 4.06Å; V19-M64 HydrophobicContact CG1-CG 4.43Å; V19-M64 HydrophobicContact CG2-CG 4.5Å; V19-M64 WeakPolarHBondContact O-CA 3.4Å; V19-W65 PolarHBondContact O-N 3.44Å; V19-F86 WeakPolarHBondContact CA-O 3.1Å; V19-F86 HydrophobicContact CG1-CB 4.26Å; V19-F86 HydrophobicContact CG2-CB 4.26Å; V19-F86 HydrophobicContact CG2-CD2 4.46Å; V19-I88 HydrophobicContact CG1-CD1 3.74Å; V19-I88 HydrophobicContact CG1-CG1 3.76Å; V19-M172 HydrophobicContact CG1-CE 4.06Å; V19-M172 HydrophobicContact CG2-CE 3.7Å
20I98.4Very high83.9Confident0 Ų060.4 Ų60.40%029%0.287CS..EExtended strand (participates in β ladder)trans-109.4138.2168.470-177.2000109.6V22 W65 I67 Y81 T84 F86 V87 I88 M109 L115I20-V22 HydrophobicContact CD1-CG1 4.32Å; I20-V22 HydrophobicContact CG1-CG1 4.32Å; I20-W65 HydrophobicContact CG2-CB 4.36Å; I20-I67 HydrophobicContact CB-CD1 4.04Å; I20-I67 HydrophobicContact CG2-CD1 4.32Å; I20-Y81 HydrophobicContact CD1-CD1 3.67Å; I20-Y81 HydrophobicContact CD1-CE1 3.85Å; I20-T84 HydrophobicContact CB-CG2 4.46Å; I20-T84 HydrophobicContact CD1-CG2 4.18Å; I20-T84 HydrophobicContact CG1-CG2 3.94Å; I20-T84 HydrophobicContact CG2-CG2 4.04Å; I20-F86 PolarHBondContact N-O 2.85Å; I20-F86 VanDerWaalsContact N-O 3.1Å; I20-V87 HydrophobicContact CD1-CG1 4.19Å; I20-V87 HydrophobicContact CD1-CG2 3.9Å; I20-V87 HydrophobicContact CG1-CB 4.21Å; I20-V87 HydrophobicContact CG1-CG1 3.93Å; I20-V87 HydrophobicContact CG1-CG2 3.94Å; I20-I88 PolarHBondContact O-N 2.85Å; I20-M109 HydrophobicContact CD1-SD 4.44Å; I20-L115 HydrophobicContact CD1-CD2 4.43Å
21I98.5Very high86.2Confident0 Ų050.8 Ų50.80%025%0.253CS..EExtended strand (participates in β ladder)trans-110.1114.5173.9-47.3-176.4000107.6K29 L33 M64 W65 I67 I88 V90I21-K29 HydrophobicContact CG2-CB 3.83Å; I21-K29 HydrophobicContact CG2-CD 4.33Å; I21-K29 HydrophobicContact CG2-CG 4.02Å; I21-L33 HydrophobicContact CD1-CB 4.3Å; I21-L33 HydrophobicContact CD1-CD1 3.9Å; I21-M64 HydrophobicContact CD1-CB 4.23Å; I21-M64 HydrophobicContact CD1-SD 4.14Å; I21-W65 PolarHBondContact N-O 3.07Å; I21-I67 PolarHBondContact O-N 3.27Å; I21-I67 VanDerWaalsContact O-N 3.11Å; I21-I88 WeakPolarHBondContact CA-O 3.49Å; I21-I88 HydrophobicContact CG1-CB 4.27Å; I21-I88 HydrophobicContact CG1-CD1 4.31Å; I21-I88 HydrophobicContact CG2-CB 4.34Å; I21-I88 HydrophobicContact CG2-CG2 4.23Å; I21-V90 HydrophobicContact CG2-CG2 3.69Å
22V98.3Very high88.5Confident1 Ų144.7 Ų44.71%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-129.4170.4-177.2-61.10000110.8I20 I67 W77 V87 I88 V89 V90 M109I20-V22 HydrophobicContact CD1-CG1 4.32Å; I20-V22 HydrophobicContact CG1-CG1 4.32Å; V22-I67 HydrophobicContact CG1-CB 4.43Å; V22-I67 HydrophobicContact CG1-CD1 3.86Å; V22-W77 HydrophobicContact CB-CD2 4.26Å; V22-W77 HydrophobicContact CB-CE3 4.05Å; V22-W77 HydrophobicContact CB-CH2 4.06Å; V22-W77 HydrophobicContact CB-CZ2 4.24Å; V22-W77 HydrophobicContact CB-CZ3 3.95Å; V22-W77 HydrophobicContact CG1-CD2 4.06Å; V22-W77 HydrophobicContact CG1-CE3 4.14Å; V22-W77 HydrophobicContact CG1-CG 4.43Å; V22-W77 HydrophobicContact CG2-CZ3 4.27Å; V22-V87 HydrophobicContact CG2-CG1 3.91Å; V22-I88 PolarHBondContact N-O 2.89Å; V22-V89 HydrophobicContact CG2-CG2 3.91Å; V22-V89 WeakPolarHBondContact O-CA 3.37Å; V22-V90 PolarHBondContact O-N 2.87Å; V22-M109 HydrophobicContact CG2-CE 4.18Å; V22-M109 HydrophobicContact CG2-SD 3.8Å
23G97.9Very high90.8Very high2 Ų236.8 Ų36.82%0.02119%0.186CC..  trans137.1164.5-172.400000110.9K29 G69G23-K29 WeakPolarHBondContact O-CE 3.31Å; G23-K29 PolarHBondContact O-NZ 3.21Å; G23-G69 WeakPolarHBondContact O-CA 3.5Å
24L97.8Very high92.9Very high7 Ų734.9 Ų34.94%0.03717%0.173CC..  trans-61.6162.1-175.6-50.2-174.5000111.8A27 K29 R74 R98 V101 T102L24-A27 VanDerWaalsContact O-CB 3.29Å; L24-A27 WeakPolarHBondContact O-CB 3.35Å; L24-A27 PolarHBondContact O-N 3.05Å; L24-K29 PolarHBondContact O-NZ 3.38Å; L24-R74 VanDerWaalsContact CD2-CZ 3.44Å; L24-R98 HydrophobicContact CD1-CB 3.57Å; L24-V101 HydrophobicContact CD1-CB 4.27Å; L24-V101 HydrophobicContact CD1-CG1 4.41Å; L24-V101 HydrophobicContact CD2-CG1 3.92Å; L24-T102 WeakPolarHBondContact CD1-OG1 3.44Å; L24-T102 WeakPolarHBondContact CG-OG1 3.26Å
25D95.4Very high94.6Very high47 Ų4730.2 Ų30.225%0.25115%0.151SC..THydrogen-bonded Turntrans-51.9145.5166.653.3-79.5000110.8A27 G69 Q70 R74 R98D25-A27 PolarHBondContact O-N 3.32Å; D25-A27 VanDerWaalsContact O-N 3.1Å; D25-G69 PolarHBondContact N-O 2.89Å; D25-G69 VanDerWaalsContact N-O 3.13Å; D25-Q70 HydrophobicContact CB-CG 4.22Å; D25-R74 IonicContact OD1-NH2 3.81Å; D25-R74 PolarHBondContact OD1-NH2 2.84Å; D25-R74 VanDerWaalsContact OD1-NH2 3.14Å; D25-R98 PolarHBondContact O-NH2 3.48Å; D25-R98 IonicContact OD1-NH1 3.69Å; D25-R98 PolarHBondContact OD1-NH1 3.47Å; D25-R98 IonicContact OD2-CZ 3.44Å; D25-R98 IonicContact OD2-NH1 3.62Å; D25-R98 PolarHBondContact OD2-NH1 3.28Å; D25-R98 IonicContact OD2-NH2 3.86Å
26N95Very high95.2Very high120 Ų12024.8 Ų24.864%0.64213%0.125SC*.THydrogen-bonded Turntrans63.95.3-177.7-157.738.4000116.5G28 K126N26-G28 PolarHBondContact O-N 2.85Å; N26-K126 VanDerWaalsContact O-CE 3.26Å; N26-K126 WeakPolarHBondContact O-CE 3.07Å; N26-K126 PolarHBondContact O-NZ 2.74Å
27A97.7Very high95Very high2 Ų221.5 Ų21.52%0.01712%0.115CC..SBendtrans-67.6-18.4177.400000114.5L24 D25 V90 D92 N125L24-A27 VanDerWaalsContact O-CB 3.29Å; L24-A27 WeakPolarHBondContact O-CB 3.35Å; L24-A27 PolarHBondContact O-N 3.05Å; D25-A27 PolarHBondContact O-N 3.32Å; D25-A27 VanDerWaalsContact O-N 3.1Å; A27-V90 HydrophobicContact CB-CB 4.3Å; A27-V90 HydrophobicContact CB-CG1 4.08Å; A27-V90 WeakPolarHBondContact CB-O 3.38Å; A27-V90 VanDerWaalsContact O-CG1 3.28Å; A27-V90 WeakPolarHBondContact O-CG1 3.46Å; A27-D92 HydrophobicContact CB-CB 4.5Å; A27-N125 PolarHBondContact O-ND2 3.23Å
28G97.1Very high94.3Very high15 Ų1525.3 Ų25.316%0.15514%0.135CC..SBendtrans98.822.2179.400000115.3N26 T31 I32N26-G28 PolarHBondContact O-N 2.85Å; G28-T31 PolarHBondContact O-N 3.3Å; G28-I32 WeakPolarHBondContact O-CG1 3.49Å; G28-I32 PolarHBondContact O-N 2.97Å
29K97.2Very high93.3Very high11 Ų1129.2 Ų29.25%0.04816%0.158CC..Hα-helixtrans-57-53.9-179.9-59.4-175.8-61.6-68.30113.2I21 G23 L24 T31 I32 L33 D66 I67 V90I21-K29 HydrophobicContact CG2-CB 3.83Å; I21-K29 HydrophobicContact CG2-CD 4.33Å; I21-K29 HydrophobicContact CG2-CG 4.02Å; G23-K29 WeakPolarHBondContact O-CE 3.31Å; G23-K29 PolarHBondContact O-NZ 3.21Å; L24-K29 PolarHBondContact O-NZ 3.38Å; K29-T31 VanDerWaalsContact C-N 3.3Å; K29-T31 PolarHBondContact O-N 2.87Å; K29-I32 PolarHBondContact O-N 3.45Å; K29-L33 PolarHBondContact O-N 3.15Å; K29-D66 WeakPolarHBondContact CB-OD1 3.4Å; K29-I67 WeakPolarHBondContact CE-O 3.38Å; K29-V90 HydrophobicContact CB-CG2 4.42Å; K29-V90 HydrophobicContact CG-CB 3.82Å; K29-V90 HydrophobicContact CG-CG2 3.82Å
30T95.1Very high91.6Very high16 Ų1635.5 Ų35.510%0.09819%0.187CC..Hα-helixtrans-63.8-37.1179.5-39.70000111.8L33 Y34 T44 T47 D66T30-L33 WeakPolarHBondContact O-CB 3.26Å; T30-L33 PolarHBondContact O-N 3.13Å; T30-Y34 HydrophobicContact CG2-CD2 4Å; T30-Y34 HydrophobicContact CG2-CE2 3.61Å; T30-Y34 PolarHBondContact O-N 3.27Å; T30-T44 HydrophobicContact CG2-CG2 3.64Å; T30-T47 PolarHBondContact OG1-OG1 3.32Å; T30-T47 VanDerWaalsContact OG1-OG1 3.04Å; T30-D66 WeakPolarHBondContact CA-OD2 3.32Å; T30-D66 WeakPolarHBondContact CB-OD2 3.44Å; T30-D66 PolarHBondContact OG1-OD2 2.95Å
31T95.5Very high90Very high16 Ų1638.7 Ų38.710%0.09821%0.206CC..Hα-helixtrans-62.1-43.8174.3-45.70000111.4G28 K29 Y34 Q35 A159 L160G28-T31 PolarHBondContact O-N 3.3Å; K29-T31 VanDerWaalsContact C-N 3.3Å; K29-T31 PolarHBondContact O-N 2.87Å; T31-Y34 PolarHBondContact O-N 3.41Å; T31-Q35 VanDerWaalsContact O-CB 3.29Å; T31-Q35 WeakPolarHBondContact O-CB 3.36Å; T31-Q35 PolarHBondContact O-N 2.87Å; T31-A159 HydrophobicContact CG2-CB 3.73Å; T31-L160 HydrophobicContact CG2-CD2 4.12Å
32I96Very high88.8Confident0 Ų041.2 Ų41.20%022%0.222CC..Hα-helixtrans-62.1-44.2175.1-71174.4000111.1G28 K29 Y34 Q35 F36 V90 F123 A159 L165G28-I32 WeakPolarHBondContact O-CG1 3.49Å; G28-I32 PolarHBondContact O-N 2.97Å; K29-I32 PolarHBondContact O-N 3.45Å; I32-Y34 PolarHBondContact O-N 3.46Å; I32-Q35 PolarHBondContact O-N 3.18Å; I32-F36 HydrophobicContact CG2-CD2 3.88Å; I32-F36 HydrophobicContact CG2-CE2 3.41Å; I32-F36 VanDerWaalsContact CG2-CE2 3.41Å; I32-F36 HydrophobicContact CG2-CZ 4Å; I32-F36 WeakPolarHBondContact O-CD2 3.27Å; I32-F36 PolarHBondContact O-N 2.96Å; I32-V90 HydrophobicContact CD1-CB 4.46Å; I32-V90 HydrophobicContact CD1-CG1 3.7Å; I32-V90 HydrophobicContact CD1-CG2 3.86Å; I32-F123 HydrophobicContact CD1-CB 4.12Å; I32-F123 HydrophobicContact CD1-CD2 3.92Å; I32-F123 HydrophobicContact CD1-CG 4.16Å; I32-F123 HydrophobicContact CG2-CD2 4.4Å; I32-F123 HydrophobicContact CG2-CE2 4.24Å; I32-A159 HydrophobicContact CD1-CB 4.44Å; I32-A159 HydrophobicContact CG1-CB 3.57Å; I32-L165 HydrophobicContact CD1-CD2 4.21Å; I32-L165 HydrophobicContact CG1-CD2 4.02Å; I32-L165 HydrophobicContact CG2-CD1 4.45Å; I32-L165 HydrophobicContact CG2-CD2 4.18Å
33L94.5Very high87.8Confident0 Ų050.1 Ų50.10%026%0.263CS..Hα-helixtrans-57.6-48.4177.9-174.570.9000111.6I21 K29 T30 F36 S37 N51 E53 M64 D66I21-L33 HydrophobicContact CD1-CB 4.3Å; I21-L33 HydrophobicContact CD1-CD1 3.9Å; K29-L33 PolarHBondContact O-N 3.15Å; T30-L33 WeakPolarHBondContact O-CB 3.26Å; T30-L33 PolarHBondContact O-N 3.13Å; L33-F36 PolarHBondContact O-N 2.63Å; L33-S37 PolarHBondContact O-N 2.87Å; L33-N51 HydrophobicContact CD2-CB 4.46Å; L33-E53 HydrophobicContact CD1-CB 3.94Å; L33-E53 HydrophobicContact CD1-CG 4.21Å; L33-E53 HydrophobicContact CD2-CB 4.24Å; L33-E53 HydrophobicContact CD2-CG 3.63Å; L33-E53 HydrophobicContact CG-CB 4.09Å; L33-E53 HydrophobicContact CG-CG 3.82Å; L33-M64 HydrophobicContact CD1-CB 3.52Å; L33-M64 HydrophobicContact CD1-CG 4.43Å; L33-M64 HydrophobicContact CD1-SD 4.24Å; L33-D66 HydrophobicContact CD2-CB 3.78Å
34Y91.3Very high87Confident49 Ų4952.7 Ų52.719%0.19228%0.278CS..Hα-helixtrans-71.2-32.1178.5-68.1-34.6000113.2T30 T31 I32 F36 S37 M38 V42 T44T30-Y34 HydrophobicContact CG2-CD2 4Å; T30-Y34 HydrophobicContact CG2-CE2 3.61Å; T30-Y34 PolarHBondContact O-N 3.27Å; T31-Y34 PolarHBondContact O-N 3.41Å; I32-Y34 PolarHBondContact O-N 3.46Å; Y34-F36 PolarHBondContact O-N 2.93Å; Y34-S37 PolarHBondContact O-N 3.44Å; Y34-M38 HydrophobicContact CD1-CE 4.42Å; Y34-M38 PolarHBondContact O-N 2.84Å; Y34-V42 HydrophobicContact CD2-CB 3.75Å; Y34-V42 HydrophobicContact CD2-CG1 4.17Å; Y34-V42 HydrophobicContact CD2-CG2 4.06Å; Y34-V42 HydrophobicContact CE2-CB 4.37Å; Y34-V42 HydrophobicContact CE2-CG1 4.29Å; Y34-V42 HydrophobicContact CG-CB 4.41Å; Y34-V42 HydrophobicContact CG-CG2 4.25Å; Y34-T44 HydrophobicContact CD2-CG2 3.92Å; Y34-T44 HydrophobicContact CE2-CG2 3.92Å
35Q92.3Very high86.2Confident17 Ų1757.2 Ų57.28%0.07931%0.31CS..Hα-helixtrans-62-36.5172.6-164.863.13000111.2T31 I32 N39 E40 L165T31-Q35 VanDerWaalsContact O-CB 3.29Å; T31-Q35 WeakPolarHBondContact O-CB 3.36Å; T31-Q35 PolarHBondContact O-N 2.87Å; I32-Q35 PolarHBondContact O-N 3.18Å; Q35-N39 WeakPolarHBondContact O-CA 3.43Å; Q35-N39 PolarHBondContact O-N 3.1Å; Q35-E40 PolarHBondContact OE1-O 3.21Å; Q35-L165 HydrophobicContact CB-CD1 3.75Å; Q35-L165 HydrophobicContact CG-CD1 3.54Å
36F86.9Confident85.6Confident33 Ų3359.6 Ų59.615%0.14533%0.329CS..Hα-helixtrans-70.1-39.9172.3-70.3-41.2000113.7I32 L33 Y34 I55 M64 F123 L165 L169I32-F36 HydrophobicContact CG2-CD2 3.88Å; I32-F36 HydrophobicContact CG2-CE2 3.41Å; I32-F36 VanDerWaalsContact CG2-CE2 3.41Å; I32-F36 HydrophobicContact CG2-CZ 4Å; I32-F36 WeakPolarHBondContact O-CD2 3.27Å; I32-F36 PolarHBondContact O-N 2.96Å; L33-F36 PolarHBondContact O-N 2.63Å; Y34-F36 PolarHBondContact O-N 2.93Å; F36-I55 HydrophobicContact CB-CD1 3.76Å; F36-I55 HydrophobicContact CB-CG1 3.94Å; F36-I55 HydrophobicContact CB-CG2 3.88Å; F36-M64 HydrophobicContact CD2-CE 4.17Å; F36-M64 HydrophobicContact CD2-SD 3.86Å; F36-M64 HydrophobicContact CE2-CE 4.35Å; F36-M64 HydrophobicContact CE2-SD 4.27Å; F36-F123 HydrophobicContact CE2-CE2 4.41Å; F36-F123 HydrophobicContact CZ-CE2 4.08Å; F36-F123 HydrophobicContact CZ-CZ 4.09Å; F36-L165 HydrophobicContact CD1-CB 4.48Å; F36-L165 HydrophobicContact CE1-CB 3.61Å; F36-L165 HydrophobicContact CE1-CD1 4.3Å; F36-L165 HydrophobicContact CE1-CG 4.47Å; F36-L165 HydrophobicContact CZ-CB 4.05Å; F36-L169 HydrophobicContact CD1-CD1 3.46Å; F36-L169 VanDerWaalsContact CD1-CD1 3.46Å; F36-L169 HydrophobicContact CD1-CG 4.18Å; F36-L169 HydrophobicContact CE1-CD1 3.15Å; F36-L169 HydrophobicContact CE1-CD2 4Å; F36-L169 HydrophobicContact CE1-CG 3.42Å; F36-L169 VanDerWaalsContact CE1-CG 3.42Å; F36-L169 HydrophobicContact CE2-CD2 4.21Å; F36-L169 HydrophobicContact CE2-CG 4.47Å; F36-L169 HydrophobicContact CG-CD1 4.37Å; F36-L169 HydrophobicContact CZ-CD1 3.86Å; F36-L169 HydrophobicContact CZ-CD2 3.81Å; F36-L169 HydrophobicContact CZ-CG 3.61Å
37S82.8Confident85Confident49 Ų4955.1 Ų55.134%0.34331%0.306SS..Hα-helixtrans-77.5-44-173.5178.10000112.8L33 Y34L33-S37 PolarHBondContact O-N 2.87Å; Y34-S37 PolarHBondContact O-N 3.44Å
38M78.8Confident84.3Confident99 Ų9962.1 Ų62.149%0.48834%0.341SS..Hα-helixtrans-118.9-9.2-165.7-57.9-179.2-175.500113.2Y34 E40Y34-M38 HydrophobicContact CD1-CE 4.42Å; Y34-M38 PolarHBondContact O-N 2.84Å; M38-E40 HydrophobicContact CB-CB 4.23Å; M38-E40 PolarHBondContact O-N 3.18Å; M38-E40 VanDerWaalsContact O-N 3.12Å
39N74.1Confident84Confident130 Ų13062.8 Ų62.870%0.69535%0.348SS*.SBendtrans51.927.3-169.5-159.945.9000112.8Q35Q35-N39 WeakPolarHBondContact O-CA 3.43Å; Q35-N39 PolarHBondContact O-N 3.1Å
40E63.9Low83.6Confident132 Ų13264.4 Ų64.462%0.61736%0.361SS*.SBendtrans-129.2145.7-178.5-74.5-171.3175.100110.5Q35 M38 V42Q35-E40 PolarHBondContact OE1-O 3.21Å; M38-E40 HydrophobicContact CB-CB 4.23Å; M38-E40 PolarHBondContact O-N 3.18Å; M38-E40 VanDerWaalsContact O-N 3.12Å; E40-V42 PolarHBondContact O-N 2.98Å
41V64.4Low83.4Confident67 Ų6765.9 Ų65.941%0.40637%0.368SS..  trans-84.9112.1174.9-175.60000109.3L160V41-L160 HydrophobicContact CG1-CD2 3.58Å; V41-L160 WeakPolarHBondContact CG2-O 3.48Å
42V73Confident83.2Confident52 Ų5267.6 Ų67.632%0.31538%0.379SS..  trans-98.2132.5173.5-175.70000109.1Y34 E40 T44Y34-V42 HydrophobicContact CD2-CB 3.75Å; Y34-V42 HydrophobicContact CD2-CG1 4.17Å; Y34-V42 HydrophobicContact CD2-CG2 4.06Å; Y34-V42 HydrophobicContact CE2-CB 4.37Å; Y34-V42 HydrophobicContact CE2-CG1 4.29Å; Y34-V42 HydrophobicContact CG-CB 4.41Å; Y34-V42 HydrophobicContact CG-CG2 4.25Å; E40-V42 PolarHBondContact O-N 2.98Å; V42-T44 PolarHBondContact O-N 2.81Å
43H76.6Confident83.1Confident188 Ų18870 Ų7087%0.8739%0.39SS*.  trans-69.9121.4167.8-76.5-67.1000109.7
44T81.4Confident82.9Confident56 Ų5674.8 Ų74.834%0.34441%0.412SS..  trans-115.3143.5-173.357.80000112T30 Y34 V42T30-T44 HydrophobicContact CG2-CG2 3.64Å; Y34-T44 HydrophobicContact CD2-CG2 3.92Å; Y34-T44 HydrophobicContact CE2-CG2 3.92Å; V42-T44 PolarHBondContact O-N 2.81Å
45S81.2Confident82.9Confident102 Ų10272.7 Ų72.771%0.71340%0.404SS*.PPolyproline II helixtrans-89.4162.5163.8-66.50000110.5T47S45-T47 PolarHBondContact O-N 3.18Å
46P82.1Confident82.7Confident98 Ų9875.8 Ų75.864%0.63642%0.424SS*.PPolyproline II helixtrans-54.2127.3174.6-26.234.9000112.5
47T82.6Confident82.5Confident26 Ų2675.5 Ų75.516%0.1643%0.425CS..PPolyproline II helixtrans-64.7133.1177.4-45.60000111.1T30 S45 D66T30-T47 PolarHBondContact OG1-OG1 3.32Å; T30-T47 VanDerWaalsContact OG1-OG1 3.04Å; S45-T47 PolarHBondContact O-N 3.18Å; T47-D66 PolarHBondContact OG1-OD2 3.32Å
48I84.2Confident82.5Confident148 Ų14879 Ų7976%0.75944%0.44SS*.SBendtrans-105.1120.3169.2-58.4176.3000107.2S50I48-S50 PolarHBondContact O-N 2.86Å
49G89.3Confident82.8Confident30 Ų3080.6 Ų80.631%0.30945%0.45SS..SBendtrans76.7-119.2-17500000112.2G68G49-G68 PolarHBondContact O-N 3.4Å
50S90.6Very high83.3Confident44 Ų4476 Ų7631%0.30843%0.427SS..EExtended strand (participates in β ladder)trans-144.4148.9-179.559.40000113.3I48 D66 Y80I48-S50 PolarHBondContact O-N 2.86Å; S50-D66 CarbonylContact C-O 3.51Å; S50-D66 WeakPolarHBondContact CA-O 3.37Å; S50-D66 WeakPolarHBondContact CB-O 3.17Å; S50-Y80 WeakPolarHBondContact CB-OH 3.08Å; S50-Y80 PolarHBondContact OG-OH 3.16Å
51N89.9Confident84.5Confident48 Ų4871.1 Ų71.126%0.25740%0.404SS..EExtended strand (participates in β ladder)trans-110.7151.2164.3-16853.4000110.4L33 E53 W65 D66L33-N51 HydrophobicContact CD2-CB 4.46Å; N51-E53 PolarHBondContact ND2-OE1 3.49Å; N51-E53 VanDerWaalsContact ND2-OE1 3.09Å; N51-W65 CarbonylContact O-C 3.6Å; N51-W65 WeakPolarHBondContact O-CA 3.45Å; N51-D66 PolarHBondContact N-O 3.24Å; N51-D66 PolarHBondContact O-N 3.15Å
52V92.3Very high85.9Confident52 Ų5267.9 Ų67.932%0.31539%0.385SS..EExtended strand (participates in β ladder)trans-128.4128.8175.9-174.80000109.9M64 W65V52-M64 WeakPolarHBondContact CA-O 3.43Å; V52-W65 HydrophobicContact CG1-CD2 4.49Å; V52-W65 HydrophobicContact CG2-CD2 3.31Å; V52-W65 HydrophobicContact CG2-CE3 3.12Å; V52-W65 HydrophobicContact CG2-CG 4.01Å; V52-W65 HydrophobicContact CG2-CH2 3.62Å; V52-W65 HydrophobicContact CG2-CZ2 3.78Å; V52-W65 HydrophobicContact CG2-CZ3 3.29Å
53E92.2Very high87Confident51 Ų5167.5 Ų67.524%0.23838%0.381CS..EExtended strand (participates in β ladder)trans-128147.4170.8-60.4-67.5160.400110.2L33 N51 I55 M64L33-E53 HydrophobicContact CD1-CB 3.94Å; L33-E53 HydrophobicContact CD1-CG 4.21Å; L33-E53 HydrophobicContact CD2-CB 4.24Å; L33-E53 HydrophobicContact CD2-CG 3.63Å; L33-E53 HydrophobicContact CG-CB 4.09Å; L33-E53 HydrophobicContact CG-CG 3.82Å; N51-E53 PolarHBondContact ND2-OE1 3.49Å; N51-E53 VanDerWaalsContact ND2-OE1 3.09Å; E53-I55 HydrophobicContact CB-CD1 4.19Å; E53-M64 PolarHBondContact N-O 2.61Å; E53-M64 VanDerWaalsContact N-O 3.13Å; E53-M64 PolarHBondContact O-N 3.12Å
54E91.8Very high87.9Confident99 Ų9958.6 Ų58.646%0.46334%0.339SS..EExtended strand (participates in β ladder)trans-92.8119170.1-175.2-178.3-17100109.6V56 H61 F62 L63E54-V56 HydrophobicContact CG-CG2 4.34Å; E54-H61 IonicContact OE1-CE1 2.76Å; E54-H61 IonicContact OE1-CG 3.97Å; E54-H61 IonicContact OE1-ND1 2.82Å; E54-H61 PolarHBondContact OE1-ND1 2.98Å; E54-F62 WeakPolarHBondContact CA-O 3.35Å; E54-L63 HydrophobicContact CB-CD2 3.99Å; E54-L63 HydrophobicContact CG-CD2 4.12Å
55I89.9Confident88.6Confident6 Ų659.5 Ų59.53%0.03134%0.337CS..EExtended strand (participates in β ladder)trans-109.3119.9177.1-50.8-54.5000108.9F36 E53 V57 F62 M64F36-I55 HydrophobicContact CB-CD1 3.76Å; F36-I55 HydrophobicContact CB-CG1 3.94Å; F36-I55 HydrophobicContact CB-CG2 3.88Å; E53-I55 HydrophobicContact CB-CD1 4.19Å; I55-V57 HydrophobicContact CG2-CG2 3.96Å; I55-F62 HydrophobicContact CB-CB 4.37Å; I55-F62 PolarHBondContact N-O 3.48Å; I55-F62 PolarHBondContact O-N 3.38Å; I55-M64 HydrophobicContact CB-CE 4Å; I55-M64 HydrophobicContact CB-SD 4.38Å; I55-M64 HydrophobicContact CG1-CE 3.93Å; I55-M64 HydrophobicContact CG1-CG 4.03Å; I55-M64 HydrophobicContact CG1-SD 3.65Å; I55-M64 HydrophobicContact CG2-CE 4.33Å
56V87.8Confident89.3Confident82 Ų8254.7 Ų54.750%0.49730%0.303SS..EExtended strand (participates in β ladder)trans-102.8116.7179.5-174.70000110.3E54 T60E54-V56 HydrophobicContact CG-CG2 4.34Å; V56-T60 WeakPolarHBondContact CA-O 3.35Å
57V83.9Confident89.9Confident27 Ų2750 Ų5016%0.16427%0.273CS..EExtended strand (participates in β ladder)trans-126.3117.3178.1-170.30000109.1I55 N59 T60 F62 L169 M173I55-V57 HydrophobicContact CG2-CG2 3.96Å; V57-N59 VanDerWaalsContact C-N 3.3Å; V57-N59 PolarHBondContact O-N 3.42Å; V57-T60 PolarHBondContact N-O 3.01Å; V57-T60 WeakPolarHBondContact O-CA 3.38Å; V57-T60 WeakPolarHBondContact O-CB 3.07Å; V57-T60 PolarHBondContact O-N 3.42Å; V57-T60 PolarHBondContact O-OG1 3.38Å; V57-F62 HydrophobicContact CB-CE2 4.31Å; V57-F62 HydrophobicContact CG2-CD2 4.34Å; V57-F62 HydrophobicContact CG2-CE2 4.33Å; V57-L169 HydrophobicContact CG2-CD1 4.01Å; V57-M173 HydrophobicContact CB-SD 4.17Å; V57-M173 HydrophobicContact CG1-CE 3.74Å; V57-M173 HydrophobicContact CG1-SD 3.61Å
58N83.6Confident90.3Very high122 Ų12248.8 Ų48.865%0.65227%0.265SS*.THydrogen-bonded Turntrans49.647.1-179.9-61.9-37000113.4T60 M173N58-T60 PolarHBondContact O-N 3.24Å; N58-T60 VanDerWaalsContact O-N 3.15Å; N58-M173 HydrophobicContact CB-SD 4.45Å
59N83.3Confident90.8Very high132 Ų13241.9 Ų41.971%0.70623%0.23SC*.THydrogen-bonded Turntrans60.215.2-174.7-60.412.6000115V57 H61V57-N59 VanDerWaalsContact C-N 3.3Å; V57-N59 PolarHBondContact O-N 3.42Å; N59-H61 PolarHBondContact O-CD2 3.03Å
60T84.8Confident90.9Very high34 Ų3443.6 Ų43.621%0.20923%0.23CC..EExtended strand (participates in β ladder)trans-98.2127.4171-52.70000108.2H17 V56 V57 N58 F62 L176H17-T60 VanDerWaalsContact CD2-CG2 3.4Å; H17-T60 WeakPolarHBondContact CD2-CG2 3.28Å; V56-T60 WeakPolarHBondContact CA-O 3.35Å; V57-T60 PolarHBondContact N-O 3.01Å; V57-T60 WeakPolarHBondContact O-CA 3.38Å; V57-T60 WeakPolarHBondContact O-CB 3.07Å; V57-T60 PolarHBondContact O-N 3.42Å; V57-T60 PolarHBondContact O-OG1 3.38Å; N58-T60 PolarHBondContact O-N 3.24Å; N58-T60 VanDerWaalsContact O-N 3.15Å; T60-F62 HydrophobicContact CG2-CD2 4.36Å; T60-F62 HydrophobicContact CG2-CE1 4.41Å; T60-F62 HydrophobicContact CG2-CE2 3.69Å; T60-F62 HydrophobicContact CG2-CZ 3.73Å; T60-L176 HydrophobicContact CG2-CD1 3.89Å
61H90.6Very high91Very high29 Ų2949 Ų4913%0.13425%0.25CS..EExtended strand (participates in β ladder)trans-101.3119.7-174.7-66.4-113.9000109H14 E16 H17 E54 N59H14-H61 AromaticContact CE1-NE2 3.88Å; H14-H61 AromaticContact CG-NE2 3.8Å; H14-H61 AromaticContact ND1-CD2 3.92Å; H14-H61 AromaticContact ND1-NE2 3.71Å; E16-H61 HydrophobicContact CG-CB 4.43Å; H17-H61 PolarHBondContact N-O 3.18Å; E54-H61 IonicContact OE1-CE1 2.76Å; E54-H61 IonicContact OE1-CG 3.97Å; E54-H61 IonicContact OE1-ND1 2.82Å; E54-H61 PolarHBondContact OE1-ND1 2.98Å; N59-H61 PolarHBondContact O-CD2 3.03Å
62F93.2Very high91.1Very high0 Ų051.1 Ų51.10%027%0.269CS..EExtended strand (participates in β ladder)trans-108.7121.6175-65-83.1000109.6H17 V19 E54 I55 V57 T60 M64 M172 M173 L176H17-F62 HydrophobicContact CB-CD1 3.7Å; H17-F62 HydrophobicContact CB-CE1 3.96Å; H17-F62 WeakPolarHBondContact O-CA 3.37Å; V19-F62 HydrophobicContact CG2-CB 4.34Å; V19-F62 HydrophobicContact CG2-CD1 3.69Å; V19-F62 HydrophobicContact CG2-CG 4.46Å; E54-F62 WeakPolarHBondContact CA-O 3.35Å; I55-F62 HydrophobicContact CB-CB 4.37Å; I55-F62 PolarHBondContact N-O 3.48Å; I55-F62 PolarHBondContact O-N 3.38Å; V57-F62 HydrophobicContact CB-CE2 4.31Å; V57-F62 HydrophobicContact CG2-CD2 4.34Å; V57-F62 HydrophobicContact CG2-CE2 4.33Å; T60-F62 HydrophobicContact CG2-CD2 4.36Å; T60-F62 HydrophobicContact CG2-CE1 4.41Å; T60-F62 HydrophobicContact CG2-CE2 3.69Å; T60-F62 HydrophobicContact CG2-CZ 3.73Å; F62-M64 HydrophobicContact CB-CE 3.75Å; F62-M64 HydrophobicContact CB-CG 4.11Å; F62-M64 HydrophobicContact CG-CE 4.12Å; F62-M172 HydrophobicContact CD1-CE 4.14Å; F62-M172 HydrophobicContact CE1-CE 3.96Å; F62-M173 HydrophobicContact CE2-CG 4.37Å; F62-M173 HydrophobicContact CZ-CG 4.12Å; F62-L176 HydrophobicContact CE1-CD1 3.91Å; F62-L176 HydrophobicContact CZ-CD1 3.89Å
63L95.3Very high91Very high44 Ų4450.4 Ų50.423%0.2326%0.263CS..EExtended strand (participates in β ladder)trans-91.7102.8168.8-68.8-178.6000108.5E16 H17 V19 E54E16-L63 HydrophobicContact CB-CD1 4.14Å; E16-L63 HydrophobicContact CB-CG 4.33Å; E16-L63 HydrophobicContact CG-CD1 4.36Å; E16-L63 VanDerWaalsContact OE2-CD1 3.22Å; E16-L63 WeakPolarHBondContact OE2-CD1 3.49Å; H17-L63 PolarHBondContact O-N 3.33Å; V19-L63 PolarHBondContact N-O 3.12Å; E54-L63 HydrophobicContact CB-CD2 3.99Å; E54-L63 HydrophobicContact CG-CD2 4.12Å
64M96.4Very high91Very high0 Ų049 Ų490%026%0.256CS..EExtended strand (participates in β ladder)trans-100.6118.9-173.4-62.2-164.1-178.600111.2V19 I21 L33 F36 V52 E53 I55 F62 L169V19-M64 HydrophobicContact CB-CG 4.06Å; V19-M64 HydrophobicContact CG1-CG 4.43Å; V19-M64 HydrophobicContact CG2-CG 4.5Å; V19-M64 WeakPolarHBondContact O-CA 3.4Å; I21-M64 HydrophobicContact CD1-CB 4.23Å; I21-M64 HydrophobicContact CD1-SD 4.14Å; L33-M64 HydrophobicContact CD1-CB 3.52Å; L33-M64 HydrophobicContact CD1-CG 4.43Å; L33-M64 HydrophobicContact CD1-SD 4.24Å; F36-M64 HydrophobicContact CD2-CE 4.17Å; F36-M64 HydrophobicContact CD2-SD 3.86Å; F36-M64 HydrophobicContact CE2-CE 4.35Å; F36-M64 HydrophobicContact CE2-SD 4.27Å; V52-M64 WeakPolarHBondContact CA-O 3.43Å; E53-M64 PolarHBondContact N-O 2.61Å; E53-M64 VanDerWaalsContact N-O 3.13Å; E53-M64 PolarHBondContact O-N 3.12Å; I55-M64 HydrophobicContact CB-CE 4Å; I55-M64 HydrophobicContact CB-SD 4.38Å; I55-M64 HydrophobicContact CG1-CE 3.93Å; I55-M64 HydrophobicContact CG1-CG 4.03Å; I55-M64 HydrophobicContact CG1-SD 3.65Å; I55-M64 HydrophobicContact CG2-CE 4.33Å; F62-M64 HydrophobicContact CB-CE 3.75Å; F62-M64 HydrophobicContact CB-CG 4.11Å; F62-M64 HydrophobicContact CG-CE 4.12Å; M64-L169 HydrophobicContact CE-CD2 3.88Å
65W96.6Very high91Very high76 Ų7648.9 Ų48.929%0.28827%0.266SS..EExtended strand (participates in β ladder)trans-96.9106.2176.4-64.473.7000109.9V19 I20 I21 N51 V52 I67 Y80V19-W65 PolarHBondContact O-N 3.44Å; I20-W65 HydrophobicContact CG2-CB 4.36Å; I21-W65 PolarHBondContact N-O 3.07Å; N51-W65 CarbonylContact O-C 3.6Å; N51-W65 WeakPolarHBondContact O-CA 3.45Å; V52-W65 HydrophobicContact CG1-CD2 4.49Å; V52-W65 HydrophobicContact CG2-CD2 3.31Å; V52-W65 HydrophobicContact CG2-CE3 3.12Å; V52-W65 HydrophobicContact CG2-CG 4.01Å; V52-W65 HydrophobicContact CG2-CH2 3.62Å; V52-W65 HydrophobicContact CG2-CZ2 3.78Å; V52-W65 HydrophobicContact CG2-CZ3 3.29Å; W65-I67 HydrophobicContact CB-CG1 4.47Å; W65-Y80 AromaticContact CD2-CD1 3.97Å; W65-Y80 HydrophobicContact CD2-CD1 3.97Å; W65-Y80 HydrophobicContact CD2-CE1 4.28Å; W65-Y80 AromaticContact CE3-CD1 3.5Å; W65-Y80 HydrophobicContact CE3-CD1 3.5Å; W65-Y80 VanDerWaalsContact CE3-CD1 3.5Å; W65-Y80 AromaticContact CE3-CE1 3.36Å; W65-Y80 HydrophobicContact CE3-CE1 3.36Å; W65-Y80 HydrophobicContact CG-CD1 4.42Å; W65-Y80 HydrophobicContact CZ3-CD1 4.08Å; W65-Y80 AromaticContact CZ3-CE1 3.69Å; W65-Y80 HydrophobicContact CZ3-CE1 3.69Å
66D94.9Very high91.1Very high0 Ų050.6 Ų50.60%028%0.279CS..EExtended strand (participates in β ladder)trans-81.7118.8168.3171.540000109.7K29 T30 L33 T47 S50 N51K29-D66 WeakPolarHBondContact CB-OD1 3.4Å; T30-D66 WeakPolarHBondContact CA-OD2 3.32Å; T30-D66 WeakPolarHBondContact CB-OD2 3.44Å; T30-D66 PolarHBondContact OG1-OD2 2.95Å; L33-D66 HydrophobicContact CD2-CB 3.78Å; T47-D66 PolarHBondContact OG1-OD2 3.32Å; S50-D66 CarbonylContact C-O 3.51Å; S50-D66 WeakPolarHBondContact CA-O 3.37Å; S50-D66 WeakPolarHBondContact CB-O 3.17Å; N51-D66 PolarHBondContact N-O 3.24Å; N51-D66 PolarHBondContact O-N 3.15Å
67I95Very high91.5Very high1 Ų147 Ų471%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-109.7138.3-172.4-53.3168.6000109.9I20 I21 V22 K29 W65 G69 W77 Y80I20-I67 HydrophobicContact CB-CD1 4.04Å; I20-I67 HydrophobicContact CG2-CD1 4.32Å; I21-I67 PolarHBondContact O-N 3.27Å; I21-I67 VanDerWaalsContact O-N 3.11Å; V22-I67 HydrophobicContact CG1-CB 4.43Å; V22-I67 HydrophobicContact CG1-CD1 3.86Å; K29-I67 WeakPolarHBondContact CE-O 3.38Å; W65-I67 HydrophobicContact CB-CG1 4.47Å; I67-G69 PolarHBondContact O-N 3.49Å; I67-W77 HydrophobicContact CG2-CG 4.29Å; I67-Y80 HydrophobicContact CD1-CD1 4.34Å; I67-Y80 HydrophobicContact CD1-CD2 3.52Å; I67-Y80 HydrophobicContact CD1-CE2 4.23Å; I67-Y80 HydrophobicContact CD1-CG 3.59Å; I67-Y80 HydrophobicContact CG1-CD2 4.04Å; I67-Y80 HydrophobicContact CG1-CE2 4.26Å; I67-Y80 HydrophobicContact CG1-CG 4.2Å; I67-Y80 HydrophobicContact CG2-CD2 4.28Å; I67-Y80 HydrophobicContact CG2-CE2 4.04Å
68G91.9Very high92.1Very high0 Ų049.1 Ų49.10%027%0.266CS..  trans-51.6127.4176.800000113G49 W77G49-G68 PolarHBondContact O-N 3.4Å; G68-W77 PolarHBondContact O-NE1 3.19Å
69G92.8Very high92.7Very high3 Ų347.9 Ų47.93%0.03126%0.263CS..  trans-96.7-1.9-176.100000115.4G23 D25 I67 R74G23-G69 WeakPolarHBondContact O-CA 3.5Å; D25-G69 PolarHBondContact N-O 2.89Å; D25-G69 VanDerWaalsContact N-O 3.13Å; I67-G69 PolarHBondContact O-N 3.49Å; G69-R74 PolarHBondContact O-NE 3.5Å; G69-R74 PolarHBondContact O-NH2 3.2Å; G69-R74 VanDerWaalsContact O-NH2 3.09Å
70Q92.9Very high93.4Very high66 Ų6643.3 Ų43.331%0.30824%0.237SC..SBendtrans-63.2143.8178-60.9178.849.300109.5D25 S72 L73 R74D25-Q70 HydrophobicContact CB-CG 4.22Å; Q70-S72 VanDerWaalsContact C-N 3.27Å; Q70-S72 PolarHBondContact O-N 2.62Å; Q70-L73 HydrophobicContact CB-CD1 4.18Å; Q70-L73 HydrophobicContact CB-CG 4.27Å; Q70-L73 HydrophobicContact CG-CD1 4.48Å; Q70-L73 WeakPolarHBondContact O-CA 3.33Å; Q70-L73 WeakPolarHBondContact O-CB 3.47Å; Q70-L73 PolarHBondContact O-N 3.3Å; Q70-R74 WeakPolarHBondContact O-CG 3.48Å; Q70-R74 PolarHBondContact O-N 3.13Å
71E92.1Very high94Very high156 Ų15642.4 Ų42.473%0.72923%0.229SC*.G310 helixtrans-50.4-45.2-175.5-174.3178.317300113.3L73 R74E71-L73 PolarHBondContact O-N 2.9Å; E71-L73 VanDerWaalsContact O-N 3.12Å; E71-R74 PolarHBondContact O-N 3.4Å
72S91.5Very high94.3Very high93 Ų9344.3 Ų44.365%0.6524%0.243SC*.G310 helixtrans-63.3-17178.656.30000114.7Q70Q70-S72 VanDerWaalsContact C-N 3.27Å; Q70-S72 PolarHBondContact O-N 2.62Å
73L90.4Very high94.3Very high37 Ų3750.8 Ų50.819%0.19428%0.278CS..G310 helixtrans-102.3-12.7-178.4-58.6179.1000113Q70 E71 S75 S76Q70-L73 HydrophobicContact CB-CD1 4.18Å; Q70-L73 HydrophobicContact CB-CG 4.27Å; Q70-L73 HydrophobicContact CG-CD1 4.48Å; Q70-L73 WeakPolarHBondContact O-CA 3.33Å; Q70-L73 WeakPolarHBondContact O-CB 3.47Å; Q70-L73 PolarHBondContact O-N 3.3Å; E71-L73 PolarHBondContact O-N 2.9Å; E71-L73 VanDerWaalsContact O-N 3.12Å; L73-S75 VanDerWaalsContact C-N 3.26Å; L73-S75 PolarHBondContact O-N 3.32Å; L73-S76 PolarHBondContact O-N 3.04Å; L73-S76 PolarHBondContact O-OG 3.44Å
74R93.1Very high94.4Very high22 Ų2249 Ų498%0.08327%0.269CS..G310 helixtrans-67.2-28.1-173.7-58.2-175.4-167.6137.26.1113.2L24 D25 G69 Q70 E71 S76 W77L24-R74 VanDerWaalsContact CD2-CZ 3.44Å; D25-R74 IonicContact OD1-NH2 3.81Å; D25-R74 PolarHBondContact OD1-NH2 2.84Å; D25-R74 VanDerWaalsContact OD1-NH2 3.14Å; G69-R74 PolarHBondContact O-NE 3.5Å; G69-R74 PolarHBondContact O-NH2 3.2Å; G69-R74 VanDerWaalsContact O-NH2 3.09Å; Q70-R74 WeakPolarHBondContact O-CG 3.48Å; Q70-R74 PolarHBondContact O-N 3.13Å; E71-R74 PolarHBondContact O-N 3.4Å; R74-S76 PolarHBondContact O-N 3.08Å; R74-W77 HydrophobicContact CB-CD2 4.46Å; R74-W77 HydrophobicContact CB-CZ2 4.31Å; R74-W77 HydrophobicContact CG-CH2 4.37Å; R74-W77 HydrophobicContact CG-CZ2 3.79Å; R74-W77 WeakPolarHBondContact O-CB 3.35Å; R74-W77 PolarHBondContact O-N 3.42Å
75S91.6Very high94.4Very high97 Ų9751 Ų5168%0.67828%0.278SS*.G310 helixtrans-64-21.3176.757.80000113.7L73 N78L73-S75 VanDerWaalsContact C-N 3.26Å; L73-S75 PolarHBondContact O-N 3.32Å; S75-N78 PolarHBondContact O-OD1 3.38Å
76S92.3Very high94.5Very high42 Ų4247.4 Ų47.429%0.29427%0.265SS..G310 helixtrans-93.3-2.2-179.969.70000114.1L73 R74 N78 T79L73-S76 PolarHBondContact O-N 3.04Å; L73-S76 PolarHBondContact O-OG 3.44Å; R74-S76 PolarHBondContact O-N 3.08Å; S76-N78 PolarHBondContact O-N 3.4Å; S76-N78 VanDerWaalsContact O-N 3.15Å; S76-T79 WeakPolarHBondContact O-CB 3.44Å; S76-T79 WeakPolarHBondContact O-CG2 3.31Å; S76-T79 PolarHBondContact O-N 3.22Å; S76-T79 PolarHBondContact O-OG1 3.28Å
77W96.2Very high94.7Very high5 Ų547.5 Ų47.52%0.01927%0.265CS..G310 helixtrans-55.9-34.8179-71.44.7000112.1V22 I67 G68 R74 T79 Y80 Y81 E105V22-W77 HydrophobicContact CB-CD2 4.26Å; V22-W77 HydrophobicContact CB-CE3 4.05Å; V22-W77 HydrophobicContact CB-CH2 4.06Å; V22-W77 HydrophobicContact CB-CZ2 4.24Å; V22-W77 HydrophobicContact CB-CZ3 3.95Å; V22-W77 HydrophobicContact CG1-CD2 4.06Å; V22-W77 HydrophobicContact CG1-CE3 4.14Å; V22-W77 HydrophobicContact CG1-CG 4.43Å; V22-W77 HydrophobicContact CG2-CZ3 4.27Å; I67-W77 HydrophobicContact CG2-CG 4.29Å; G68-W77 PolarHBondContact O-NE1 3.19Å; R74-W77 HydrophobicContact CB-CD2 4.46Å; R74-W77 HydrophobicContact CB-CZ2 4.31Å; R74-W77 HydrophobicContact CG-CH2 4.37Å; R74-W77 HydrophobicContact CG-CZ2 3.79Å; R74-W77 WeakPolarHBondContact O-CB 3.35Å; R74-W77 PolarHBondContact O-N 3.42Å; W77-T79 PolarHBondContact O-N 3.46Å; W77-T79 VanDerWaalsContact O-N 3.14Å; W77-Y80 PolarHBondContact O-N 3.24Å; W77-Y81 VanDerWaalsContact C-CE1 3.4Å; W77-Y81 HydrophobicContact CB-CE1 3.96Å; W77-Y81 WeakPolarHBondContact CB-OH 3.47Å; W77-Y81 VanDerWaalsContact O-CD1 3.25Å; W77-Y81 WeakPolarHBondContact O-CD1 3.44Å; W77-Y81 WeakPolarHBondContact O-CE1 3.44Å; W77-E105 HydrophobicContact CH2-CB 4.28Å; W77-E105 HydrophobicContact CZ3-CB 3.87Å; W77-E105 HydrophobicContact CZ3-CG 4.46Å
78N95.9Very high94.9Very high72 Ų7247.4 Ų47.439%0.38527%0.265SS..G310 helixtrans-60.2-24.2179.769.5-26.2000114.5S75 S76 Y80 Y81S75-N78 PolarHBondContact O-OD1 3.38Å; S76-N78 PolarHBondContact O-N 3.4Å; S76-N78 VanDerWaalsContact O-N 3.15Å; N78-Y80 PolarHBondContact O-N 3.3Å; N78-Y80 VanDerWaalsContact O-N 3.11Å; N78-Y81 VanDerWaalsContact CA-CD2 3.5Å; N78-Y81 VanDerWaalsContact CA-CE2 3.41Å; N78-Y81 HydrophobicContact CB-CD2 3.89Å; N78-Y81 HydrophobicContact CB-CE2 3.66Å; N78-Y81 PolarHBondContact O-N 2.92Å
79T96.4Very high95.2Very high96 Ų9647.7 Ų47.759%0.58927%0.266SS*.G310 helixtrans-64.3-15.8176.466.70000112.9S76 W77S76-T79 WeakPolarHBondContact O-CB 3.44Å; S76-T79 WeakPolarHBondContact O-CG2 3.31Å; S76-T79 PolarHBondContact O-N 3.22Å; S76-T79 PolarHBondContact O-OG1 3.28Å; W77-T79 PolarHBondContact O-N 3.46Å; W77-T79 VanDerWaalsContact O-N 3.14Å
80Y97.1Very high95.5Very high37 Ų3747.5 Ų47.515%0.14527%0.265CS..G310 helixtrans-102.1-6.9-179.3-58.4-87.1000113.8K18 S50 W65 I67 W77 N78 T84K18-Y80 WeakPolarHBondContact CE-O 3.36Å; K18-Y80 PolarHBondContact NZ-O 2.95Å; S50-Y80 WeakPolarHBondContact CB-OH 3.08Å; S50-Y80 PolarHBondContact OG-OH 3.16Å; W65-Y80 AromaticContact CD2-CD1 3.97Å; W65-Y80 HydrophobicContact CD2-CD1 3.97Å; W65-Y80 HydrophobicContact CD2-CE1 4.28Å; W65-Y80 AromaticContact CE3-CD1 3.5Å; W65-Y80 HydrophobicContact CE3-CD1 3.5Å; W65-Y80 VanDerWaalsContact CE3-CD1 3.5Å; W65-Y80 AromaticContact CE3-CE1 3.36Å; W65-Y80 HydrophobicContact CE3-CE1 3.36Å; W65-Y80 HydrophobicContact CG-CD1 4.42Å; W65-Y80 HydrophobicContact CZ3-CD1 4.08Å; W65-Y80 AromaticContact CZ3-CE1 3.69Å; W65-Y80 HydrophobicContact CZ3-CE1 3.69Å; I67-Y80 HydrophobicContact CD1-CD1 4.34Å; I67-Y80 HydrophobicContact CD1-CD2 3.52Å; I67-Y80 HydrophobicContact CD1-CE2 4.23Å; I67-Y80 HydrophobicContact CD1-CG 3.59Å; I67-Y80 HydrophobicContact CG1-CD2 4.04Å; I67-Y80 HydrophobicContact CG1-CE2 4.26Å; I67-Y80 HydrophobicContact CG1-CG 4.2Å; I67-Y80 HydrophobicContact CG2-CD2 4.28Å; I67-Y80 HydrophobicContact CG2-CE2 4.04Å; W77-Y80 PolarHBondContact O-N 3.24Å; N78-Y80 PolarHBondContact O-N 3.3Å; N78-Y80 VanDerWaalsContact O-N 3.11Å; Y80-T84 PolarHBondContact O-OG1 3.5Å
81Y97.6Very high95.8Very high14 Ų1444.5 Ų44.56%0.05525%0.251CS..  trans-70.7-38.7-168.2-66.3-8.3000114.4I20 W77 N78 N83 T84 M109 H112 L115I20-Y81 HydrophobicContact CD1-CD1 3.67Å; I20-Y81 HydrophobicContact CD1-CE1 3.85Å; W77-Y81 VanDerWaalsContact C-CE1 3.4Å; W77-Y81 HydrophobicContact CB-CE1 3.96Å; W77-Y81 WeakPolarHBondContact CB-OH 3.47Å; W77-Y81 VanDerWaalsContact O-CD1 3.25Å; W77-Y81 WeakPolarHBondContact O-CD1 3.44Å; W77-Y81 WeakPolarHBondContact O-CE1 3.44Å; N78-Y81 VanDerWaalsContact CA-CD2 3.5Å; N78-Y81 VanDerWaalsContact CA-CE2 3.41Å; N78-Y81 HydrophobicContact CB-CD2 3.89Å; N78-Y81 HydrophobicContact CB-CE2 3.66Å; N78-Y81 PolarHBondContact O-N 2.92Å; Y81-N83 PolarHBondContact O-N 3.02Å; Y81-T84 WeakPolarHBondContact O-CB 3.1Å; Y81-T84 PolarHBondContact O-N 3.24Å; Y81-T84 PolarHBondContact O-OG1 2.84Å; Y81-M109 HydrophobicContact CE1-CG 3.98Å; Y81-M109 HydrophobicContact CE1-SD 4.34Å; Y81-M109 HydrophobicContact CE2-CG 4.23Å; Y81-M109 WeakPolarHBondContact OH-CG 3.44Å; Y81-H112 HydrophobicContact CD2-CB 3.73Å; Y81-H112 AromaticContact CD2-CD2 3.89Å; Y81-H112 AromaticContact CD2-CG 3.5Å; Y81-H112 AromaticContact CD2-ND1 3.66Å; Y81-H112 HydrophobicContact CE2-CB 3.84Å; Y81-H112 AromaticContact CE2-CG 3.9Å; Y81-L115 HydrophobicContact CD1-CD1 3.77Å; Y81-L115 HydrophobicContact CD1-CD2 4.24Å; Y81-L115 HydrophobicContact CD1-CG 4.18Å; Y81-L115 HydrophobicContact CD2-CD1 3.85Å; Y81-L115 HydrophobicContact CD2-CG 4.05Å; Y81-L115 HydrophobicContact CE1-CD1 3.96Å; Y81-L115 HydrophobicContact CE2-CD1 4.04Å; Y81-L115 HydrophobicContact CG-CD1 3.73Å; Y81-L115 HydrophobicContact CG-CD2 4.09Å; Y81-L115 HydrophobicContact CG-CG 3.77Å
82T96.1Very high96.1Very high69 Ų6937.7 Ų37.742%0.42322%0.22SC..THydrogen-bonded Turntrans-50.8130.2-177.4-490000112K18 T84 D114K18-T82 PolarHBondContact NZ-O 3.2Å; T82-T84 PolarHBondContact O-N 3.12Å; T82-D114 PolarHBondContact N-OD2 2.89Å; T82-D114 PolarHBondContact OG1-OD2 3.2Å
83N94.1Very high96.4Very high136 Ų13633.3 Ų33.373%0.72719%0.189SC*.THydrogen-bonded Turntrans62.215-177.6-57.5-36.5000115.9Y81 E85Y81-N83 PolarHBondContact O-N 3.02Å; N83-E85 PolarHBondContact O-N 2.88Å
84T97.3Very high96.8Very high8 Ų834.3 Ų34.35%0.04920%0.197CC..  trans-71.7125.7175.8-62.90000110.8I20 Y80 Y81 T82 F86 V87 L115I20-T84 HydrophobicContact CB-CG2 4.46Å; I20-T84 HydrophobicContact CD1-CG2 4.18Å; I20-T84 HydrophobicContact CG1-CG2 3.94Å; I20-T84 HydrophobicContact CG2-CG2 4.04Å; Y80-T84 PolarHBondContact O-OG1 3.5Å; Y81-T84 WeakPolarHBondContact O-CB 3.1Å; Y81-T84 PolarHBondContact O-N 3.24Å; Y81-T84 PolarHBondContact O-OG1 2.84Å; T82-T84 PolarHBondContact O-N 3.12Å; T84-F86 WeakPolarHBondContact CG2-O 3.17Å; T84-V87 HydrophobicContact CG2-CG2 4.05Å; T84-L115 HydrophobicContact CG2-CD2 3.95Å
85E97.2Very high97.1Very high40 Ų4034.7 Ų34.719%0.18720%0.2CC..  trans-92.1-32.1178.1-68.8-168-112.500112.9H17 K18 N83 A118 G119 R179H17-E85 WeakPolarHBondContact CA-OE1 3.11Å; H17-E85 IonicContact CE1-OE1 3.58Å; H17-E85 IonicContact CE1-OE2 3.3Å; H17-E85 IonicContact CG-OE1 3.86Å; H17-E85 VanDerWaalsContact ND1-CD 3.31Å; H17-E85 IonicContact ND1-OE1 2.69Å; H17-E85 PolarHBondContact ND1-OE1 3.14Å; H17-E85 IonicContact ND1-OE2 3.59Å; H17-E85 PolarHBondContact ND1-OE2 3.05Å; K18-E85 PolarHBondContact O-N 3.33Å; N83-E85 PolarHBondContact O-N 2.88Å; E85-A118 CarbonylContact O-C 3.53Å; E85-A118 VanDerWaalsContact O-CA 3.24Å; E85-A118 WeakPolarHBondContact O-CA 3.43Å; E85-G119 PolarHBondContact O-N 2.82Å; E85-R179 IonicContact OE2-CZ 3.77Å; E85-R179 IonicContact OE2-NH1 2.68Å; E85-R179 PolarHBondContact OE2-NH1 2.67Å
86F98.3Very high97.4Very high2 Ų235.6 Ų35.61%0.00919%0.189CC..EExtended strand (participates in β ladder)trans-136.8142.7175-62.3-83.5000111.8K18 V19 I20 T84 G119 W171 M172 R175 L176K18-F86 PolarHBondContact O-N 2.81Å; V19-F86 WeakPolarHBondContact CA-O 3.1Å; V19-F86 HydrophobicContact CG1-CB 4.26Å; V19-F86 HydrophobicContact CG2-CB 4.26Å; V19-F86 HydrophobicContact CG2-CD2 4.46Å; I20-F86 PolarHBondContact N-O 2.85Å; I20-F86 VanDerWaalsContact N-O 3.1Å; T84-F86 WeakPolarHBondContact CG2-O 3.17Å; F86-G119 CarbonylContact C-O 3.51Å; F86-G119 VanDerWaalsContact CA-O 3.27Å; F86-G119 WeakPolarHBondContact CA-O 3.4Å; F86-W171 HydrophobicContact CD1-CZ3 4.21Å; F86-W171 HydrophobicContact CE1-CZ3 4.32Å; F86-M172 HydrophobicContact CB-CE 3.74Å; F86-M172 HydrophobicContact CD1-CB 4.38Å; F86-M172 HydrophobicContact CD1-CE 4.46Å; F86-M172 HydrophobicContact CD1-CG 4.04Å; F86-M172 HydrophobicContact CD2-CE 3.78Å; F86-M172 HydrophobicContact CE1-CB 4.19Å; F86-M172 HydrophobicContact CE1-CG 4.29Å; F86-M172 HydrophobicContact CE2-CB 4.38Å; F86-M172 HydrophobicContact CG-CE 3.74Å; F86-M172 HydrophobicContact CG-CG 4.27Å; F86-M172 HydrophobicContact CZ-CB 4.19Å; F86-M172 VanDerWaalsContact CZ-O 3.3Å; F86-M172 WeakPolarHBondContact CZ-O 3.49Å; F86-R175 HydrophobicContact CE1-CB 3.87Å; F86-R175 HydrophobicContact CE1-CG 4.25Å; F86-R175 HydrophobicContact CZ-CB 3.91Å; F86-L176 HydrophobicContact CE2-CD1 4.31Å; F86-L176 HydrophobicContact CE2-CD2 3.58Å; F86-L176 HydrophobicContact CE2-CG 3.78Å; F86-L176 HydrophobicContact CZ-CD2 3.96Å; F86-L176 HydrophobicContact CZ-CG 3.95Å
87V98.6Very high97.6Very high1 Ų142 Ų421%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-110.4123168.7-177.10000108.1I20 V22 T84 V89 M109 L115 A118 G119 L120 L121I20-V87 HydrophobicContact CD1-CG1 4.19Å; I20-V87 HydrophobicContact CD1-CG2 3.9Å; I20-V87 HydrophobicContact CG1-CB 4.21Å; I20-V87 HydrophobicContact CG1-CG1 3.93Å; I20-V87 HydrophobicContact CG1-CG2 3.94Å; V22-V87 HydrophobicContact CG2-CG1 3.91Å; T84-V87 HydrophobicContact CG2-CG2 4.05Å; V87-V89 HydrophobicContact CG1-CG2 3.98Å; V87-M109 HydrophobicContact CG1-CE 3.51Å; V87-M109 HydrophobicContact CG1-SD 3.6Å; V87-L115 HydrophobicContact CG2-CD1 4.15Å; V87-L115 HydrophobicContact CG2-CD2 3.9Å; V87-A118 HydrophobicContact CG2-CB 4.08Å; V87-G119 PolarHBondContact N-O 3.13Å; V87-L120 HydrophobicContact CB-CD1 4.28Å; V87-L120 HydrophobicContact CG1-CD1 4.33Å; V87-L121 PolarHBondContact O-N 2.8Å
88I98.8Very high97.7Very high0 Ų045.1 Ų45.10%023%0.226CC..EExtended strand (participates in β ladder)trans-98.4115.3169.4-58.2-178.2000107.8V19 I20 I21 V22 V90 L121 F123 M172V19-I88 HydrophobicContact CG1-CD1 3.74Å; V19-I88 HydrophobicContact CG1-CG1 3.76Å; I20-I88 PolarHBondContact O-N 2.85Å; I21-I88 WeakPolarHBondContact CA-O 3.49Å; I21-I88 HydrophobicContact CG1-CB 4.27Å; I21-I88 HydrophobicContact CG1-CD1 4.31Å; I21-I88 HydrophobicContact CG2-CB 4.34Å; I21-I88 HydrophobicContact CG2-CG2 4.23Å; V22-I88 PolarHBondContact N-O 2.89Å; I88-V90 HydrophobicContact CG2-CG2 4.06Å; I88-L121 CarbonylContact C-O 3.55Å; I88-L121 VanDerWaalsContact CA-O 3.3Å; I88-L121 WeakPolarHBondContact CA-O 3.27Å; I88-L121 HydrophobicContact CD1-CD2 4.39Å; I88-L121 HydrophobicContact CG1-CB 4.33Å; I88-L121 HydrophobicContact CG1-CD2 4.26Å; I88-F123 HydrophobicContact CG2-CD2 3.52Å; I88-F123 HydrophobicContact CG2-CE2 3.98Å; I88-M172 HydrophobicContact CD1-CE 4.35Å; I88-M172 HydrophobicContact CD1-SD 3.92Å; I88-M172 HydrophobicContact CG1-SD 4.22Å
89V98.8Very high97.9Very high5 Ų542.4 Ų42.43%0.0321%0.211CC..EExtended strand (participates in β ladder)trans-100.4114.6171.9-177.90000108.7V22 V87 V91 T102 L106 M109 L120 L121 I122 F123V22-V89 HydrophobicContact CG2-CG2 3.91Å; V22-V89 WeakPolarHBondContact O-CA 3.37Å; V87-V89 HydrophobicContact CG1-CG2 3.98Å; V89-V91 HydrophobicContact CG1-CG2 4.34Å; V89-T102 HydrophobicContact CG1-CG2 4.23Å; V89-L106 HydrophobicContact CG2-CD1 4.04Å; V89-M109 HydrophobicContact CG2-CE 3.83Å; V89-L120 HydrophobicContact CG2-CD1 3.67Å; V89-L121 PolarHBondContact N-O 3.17Å; V89-I122 CarbonylContact O-C 3.59Å; V89-I122 WeakPolarHBondContact O-CA 3.24Å; V89-F123 PolarHBondContact O-N 3.15Å
90V98.8Very high97.9Very high0 Ų040.8 Ų40.80%020%0.203CC..EExtended strand (participates in β ladder)trans-94.5122.4177.8-170.70000109.3I21 V22 A27 K29 I32 I88 N125I21-V90 HydrophobicContact CG2-CG2 3.69Å; V22-V90 PolarHBondContact O-N 2.87Å; A27-V90 HydrophobicContact CB-CB 4.3Å; A27-V90 HydrophobicContact CB-CG1 4.08Å; A27-V90 WeakPolarHBondContact CB-O 3.38Å; A27-V90 VanDerWaalsContact O-CG1 3.28Å; A27-V90 WeakPolarHBondContact O-CG1 3.46Å; K29-V90 HydrophobicContact CB-CG2 4.42Å; K29-V90 HydrophobicContact CG-CB 3.82Å; K29-V90 HydrophobicContact CG-CG2 3.82Å; I32-V90 HydrophobicContact CD1-CB 4.46Å; I32-V90 HydrophobicContact CD1-CG1 3.7Å; I32-V90 HydrophobicContact CD1-CG2 3.86Å; I88-V90 HydrophobicContact CG2-CG2 4.06Å; V90-N125 HydrophobicContact CG1-CB 3.86Å
91V98.9Very high98Very high2 Ų241 Ų411%0.01221%0.208CC..EExtended strand (participates in β ladder)trans-109.9127.1-179.4-175.80000108.7V89 S93 I99 T102 I122 F123 N125 I138 L142V89-V91 HydrophobicContact CG1-CG2 4.34Å; V91-S93 PolarHBondContact O-N 3.26Å; V91-I99 HydrophobicContact CG1-CD1 3.53Å; V91-T102 HydrophobicContact CG2-CG2 4.16Å; V91-I122 HydrophobicContact CG2-CG2 3.7Å; V91-F123 PolarHBondContact N-O 3.02Å; V91-N125 WeakPolarHBondContact O-CB 3.35Å; V91-N125 PolarHBondContact O-N 3Å; V91-I138 HydrophobicContact CB-CG2 4.47Å; V91-I138 HydrophobicContact CG1-CD1 4.32Å; V91-I138 HydrophobicContact CG1-CG2 4.1Å; V91-I138 HydrophobicContact CG2-CG2 4.33Å; V91-L142 HydrophobicContact CG2-CD1 4.01Å
92D98.7Very high98Very high14 Ų1440.8 Ų40.88%0.07521%0.209CC..EExtended strand (participates in β ladder)trans-72.5107.7166.3-172.4-22.2000109A27 T94 D95 K126A27-D92 HydrophobicContact CB-CB 4.5Å; D92-T94 PolarHBondContact O-N 2.8Å; D92-T94 VanDerWaalsContact O-N 3.16Å; D92-T94 WeakPolarHBondContact OD1-CA 3.44Å; D92-T94 WeakPolarHBondContact OD1-CB 3.4Å; D92-T94 PolarHBondContact OD1-N 3.3Å; D92-T94 PolarHBondContact OD1-OG1 2.78Å; D92-T94 PolarHBondContact OD2-OG1 3.46Å; D92-D95 HydrophobicContact CB-CB 3.81Å; D92-D95 PolarHBondContact O-N 2.66Å; D92-D95 VanDerWaalsContact O-N 3.12Å; D92-K126 WeakPolarHBondContact OD1-CD 3.48Å; D92-K126 IonicContact OD1-NZ 3.27Å; D92-K126 WeakPolarHBondContact OD2-CE 3.29Å; D92-K126 IonicContact OD2-NZ 3.79Å; D92-K126 PolarHBondContact OD2-NZ 3.24Å
93S98.9Very high98.2Very high0 Ų040 Ų400%020%0.2CC..THydrogen-bonded Turntrans-67-15.8-178.3-53.40000112.8V91 A124 N125 Q127 C132 M133 I138V91-S93 PolarHBondContact O-N 3.26Å; S93-A124 VanDerWaalsContact OG-C 3.3Å; S93-N125 WeakPolarHBondContact CB-O 3.08Å; S93-N125 PolarHBondContact N-O 3.09Å; S93-N125 PolarHBondContact OG-N 3.21Å; S93-N125 PolarHBondContact OG-O 3.14Å; S93-Q127 PolarHBondContact OG-NE2 3.15Å; S93-C132 CarbonylContact O-C 3.52Å; S93-C132 WeakPolarHBondContact O-CA 3.2Å; S93-M133 WeakPolarHBondContact O-CB 3.5Å; S93-M133 WeakPolarHBondContact O-CE 3.45Å; S93-M133 PolarHBondContact O-N 3Å; S93-I138 WeakPolarHBondContact OG-CD1 3.48Å
94T98.6Very high98.4Very high59 Ų5939.1 Ų39.136%0.36219%0.191SC..THydrogen-bonded Turntrans-84.3-18177.2720000112.4D92 R96 K126 V129 C132D92-T94 PolarHBondContact O-N 2.8Å; D92-T94 VanDerWaalsContact O-N 3.16Å; D92-T94 WeakPolarHBondContact OD1-CA 3.44Å; D92-T94 WeakPolarHBondContact OD1-CB 3.4Å; D92-T94 PolarHBondContact OD1-N 3.3Å; D92-T94 PolarHBondContact OD1-OG1 2.78Å; D92-T94 PolarHBondContact OD2-OG1 3.46Å; T94-R96 PolarHBondContact O-N 2.68Å; T94-K126 HydrophobicContact CG2-CB 4.22Å; T94-V129 HydrophobicContact CG2-CB 3.63Å; T94-V129 HydrophobicContact CG2-CG1 3.68Å; T94-V129 HydrophobicContact CG2-CG2 3.89Å; T94-C132 HydrophobicContact CG2-CB 4.13Å
95D98.3Very high98.4Very high29 Ų2939.6 Ų39.616%0.15519%0.193CC..  trans-95.373-170.3-160.7-28000112.3D92 E97 R98 I99D92-D95 HydrophobicContact CB-CB 3.81Å; D92-D95 PolarHBondContact O-N 2.66Å; D92-D95 VanDerWaalsContact O-N 3.12Å; D95-E97 PolarHBondContact O-N 3.5Å; D95-R98 WeakPolarHBondContact OD1-CB 3.35Å; D95-R98 WeakPolarHBondContact OD1-CG 3.3Å; D95-R98 PolarHBondContact OD1-N 2.95Å; D95-R98 IonicContact OD1-NE 2.78Å; D95-R98 IonicContact OD2-CZ 3.58Å; D95-R98 IonicContact OD2-NE 3.57Å; D95-R98 PolarHBondContact OD2-NE 3.31Å; D95-R98 IonicContact OD2-NH2 2.77Å; D95-R98 PolarHBondContact OD2-NH2 3.34Å; D95-I99 PolarHBondContact O-N 2.66Å
96R98.3Very high98.5Very high116 Ų11637.9 Ų37.944%0.43819%0.185SC..SBendtrans-64.6-29178.4-69.4178.3-174.6-93.40.7112.5T94 I99 G131 C132 M133 E137T94-R96 PolarHBondContact O-N 2.68Å; R96-I99 VanDerWaalsContact O-CG2 3.26Å; R96-I99 WeakPolarHBondContact O-CG2 3.29Å; R96-G131 PolarHBondContact NH2-O 2.93Å; R96-C132 PolarHBondContact NH2-O 3.18Å; R96-M133 HydrophobicContact CB-SD 4.46Å; R96-M133 HydrophobicContact CG-CE 4.13Å; R96-M133 HydrophobicContact CG-CG 3.55Å; R96-M133 HydrophobicContact CG-SD 3.73Å; R96-M133 VanDerWaalsContact CZ-CG 3.45Å; R96-E137 IonicContact CZ-OE1 2.74Å; R96-E137 IonicContact NH1-OE1 3.81Å; R96-E137 PolarHBondContact NH1-OE1 3.27Å; R96-E137 IonicContact NH2-OE1 3.98Å; R96-E137 PolarHBondContact NH2-OE1 2.78Å; R96-E137 IonicContact NH2-OE2 3.14Å
97E97.9Very high98.5Very high177 Ų17741.3 Ų41.383%0.82720%0.198SC*.SBendtrans-71.6-38.3-176.3-65.1-176.2176.800111.8D95D95-E97 PolarHBondContact O-N 3.5Å
98R98.2Very high98.4Very high70 Ų7048.2 Ų48.226%0.26422%0.224SC..SBendtrans-99.38.3-176.5-56.7-170.9-66.3159.84.6114.3L24 D25 D95 S100 V101 T102L24-R98 HydrophobicContact CD1-CB 3.57Å; D25-R98 PolarHBondContact O-NH2 3.48Å; D25-R98 IonicContact OD1-NH1 3.69Å; D25-R98 PolarHBondContact OD1-NH1 3.47Å; D25-R98 IonicContact OD2-CZ 3.44Å; D25-R98 IonicContact OD2-NH1 3.62Å; D25-R98 PolarHBondContact OD2-NH1 3.28Å; D25-R98 IonicContact OD2-NH2 3.86Å; D95-R98 WeakPolarHBondContact OD1-CB 3.35Å; D95-R98 WeakPolarHBondContact OD1-CG 3.3Å; D95-R98 PolarHBondContact OD1-N 2.95Å; D95-R98 IonicContact OD1-NE 2.78Å; D95-R98 IonicContact OD2-CZ 3.58Å; D95-R98 IonicContact OD2-NE 3.57Å; D95-R98 PolarHBondContact OD2-NE 3.31Å; D95-R98 IonicContact OD2-NH2 2.77Å; D95-R98 PolarHBondContact OD2-NH2 3.34Å; R98-S100 PolarHBondContact O-N 2.93Å; R98-V101 WeakPolarHBondContact O-CB 3.28Å; R98-V101 PolarHBondContact O-N 3.39Å; R98-V101 VanDerWaalsContact O-N 3.15Å; R98-T102 PolarHBondContact O-N 3.3Å; R98-T102 VanDerWaalsContact O-N 3.07Å; R98-T102 PolarHBondContact O-OG1 2.98Å
99I98.4Very high98.3Very high16 Ų1648.3 Ų48.38%0.08222%0.224CC..Hα-helixtrans-62.4-32.2176.3-165.461.6000112.4V91 D95 R96 T102 K103 M133 I138 L142V91-I99 HydrophobicContact CG1-CD1 3.53Å; D95-I99 PolarHBondContact O-N 2.66Å; R96-I99 VanDerWaalsContact O-CG2 3.26Å; R96-I99 WeakPolarHBondContact O-CG2 3.29Å; I99-T102 WeakPolarHBondContact O-CB 3.33Å; I99-T102 PolarHBondContact O-N 3.09Å; I99-K103 PolarHBondContact O-N 2.69Å; I99-M133 HydrophobicContact CB-CE 4.34Å; I99-M133 HydrophobicContact CB-SD 4.47Å; I99-M133 HydrophobicContact CD1-CE 4.21Å; I99-M133 HydrophobicContact CG1-CE 4.38Å; I99-M133 HydrophobicContact CG1-SD 4.34Å; I99-I138 HydrophobicContact CD1-CG2 4.44Å; I99-L142 HydrophobicContact CD1-CD2 3.82Å; I99-L142 HydrophobicContact CD1-CG 4.16Å; I99-L142 HydrophobicContact CG1-CD2 4.21Å
100S98.3Very high98.2Very high61 Ų6148.7 Ų48.743%0.42723%0.226SC..Hα-helixtrans-64-41.9173.851.90000111.9R98 T102 K103 E104R98-S100 PolarHBondContact O-N 2.93Å; S100-T102 VanDerWaalsContact C-N 3.32Å; S100-T102 PolarHBondContact O-N 3.46Å; S100-K103 WeakPolarHBondContact O-CB 3.35Å; S100-K103 PolarHBondContact O-N 3.32Å; S100-E104 WeakPolarHBondContact O-CG 3.39Å; S100-E104 PolarHBondContact O-N 2.93Å
101V98.4Very high98.2Very high41 Ų4152.8 Ų52.825%0.24826%0.26CS..Hα-helixtrans-62.6-42.9175.1-176.10000110.2L24 R98 K103 E104 E105L24-V101 HydrophobicContact CD1-CB 4.27Å; L24-V101 HydrophobicContact CD1-CG1 4.41Å; L24-V101 HydrophobicContact CD2-CG1 3.92Å; R98-V101 WeakPolarHBondContact O-CB 3.28Å; R98-V101 PolarHBondContact O-N 3.39Å; R98-V101 VanDerWaalsContact O-N 3.15Å; V101-K103 VanDerWaalsContact C-N 3.29Å; V101-K103 PolarHBondContact O-N 3.34Å; V101-E104 PolarHBondContact O-N 3.02Å; V101-E105 WeakPolarHBondContact O-CG 3.27Å; V101-E105 PolarHBondContact O-N 3.22Å
102T98.4Very high98.1Very high10 Ų1055.5 Ų55.56%0.06127%0.273CS..Hα-helixtrans-60-41175.5-55.90000111.6L24 V89 V91 R98 I99 S100 L106 L142L24-T102 WeakPolarHBondContact CD1-OG1 3.44Å; L24-T102 WeakPolarHBondContact CG-OG1 3.26Å; V89-T102 HydrophobicContact CG1-CG2 4.23Å; V91-T102 HydrophobicContact CG2-CG2 4.16Å; R98-T102 PolarHBondContact O-N 3.3Å; R98-T102 VanDerWaalsContact O-N 3.07Å; R98-T102 PolarHBondContact O-OG1 2.98Å; I99-T102 WeakPolarHBondContact O-CB 3.33Å; I99-T102 PolarHBondContact O-N 3.09Å; S100-T102 VanDerWaalsContact C-N 3.32Å; S100-T102 PolarHBondContact O-N 3.46Å; T102-L106 VanDerWaalsContact O-CB 3.27Å; T102-L106 WeakPolarHBondContact O-CB 3.26Å; T102-L106 PolarHBondContact O-N 3.33Å; T102-L142 HydrophobicContact CG2-CD2 4.05Å
103K98.6Very high98Very high53 Ų5362.6 Ų62.623%0.2331%0.305CS..Hα-helixtrans-61.1-49.5174.4-175.6-166.5179.9-173.30111.4I99 S100 V101 E105 L106 Y107 S141 L142 Q143I99-K103 PolarHBondContact O-N 2.69Å; S100-K103 WeakPolarHBondContact O-CB 3.35Å; S100-K103 PolarHBondContact O-N 3.32Å; V101-K103 VanDerWaalsContact C-N 3.29Å; V101-K103 PolarHBondContact O-N 3.34Å; K103-E105 VanDerWaalsContact C-N 3.33Å; K103-E105 PolarHBondContact O-N 3.44Å; K103-L106 WeakPolarHBondContact O-CB 3.47Å; K103-L106 PolarHBondContact O-N 2.87Å; K103-Y107 HydrophobicContact CG-CD2 3.8Å; K103-Y107 HydrophobicContact CG-CE2 3.8Å; K103-Y107 VanDerWaalsContact O-CD2 3.32Å; K103-Y107 WeakPolarHBondContact O-CD2 3.43Å; K103-Y107 PolarHBondContact O-N 3.45Å; K103-S141 WeakPolarHBondContact CD-O 3.37Å; K103-L142 HydrophobicContact CB-CD2 3.89Å; K103-Q143 VanDerWaalsContact NZ-NE2 3.1Å
104E98.3Very high97.9Very high118 Ų11865.5 Ų65.555%0.55132%0.321SS*.Hα-helixtrans-58-46.1-179.5-73175.6-169.800112S100 V101 Y107 R108S100-E104 WeakPolarHBondContact O-CG 3.39Å; S100-E104 PolarHBondContact O-N 2.93Å; V101-E104 PolarHBondContact O-N 3.02Å; E104-Y107 PolarHBondContact O-N 3.43Å; E104-R108 WeakPolarHBondContact O-CB 3.4Å; E104-R108 PolarHBondContact O-N 3Å
105E98.3Very high97.9Very high18 Ų1862.7 Ų62.78%0.08430%0.304CS..Hα-helixtrans-66.5-39.7177.2-63.8-59.5161.200112.4W77 V101 K103 Y107 R108 M109W77-E105 HydrophobicContact CH2-CB 4.28Å; W77-E105 HydrophobicContact CZ3-CB 3.87Å; W77-E105 HydrophobicContact CZ3-CG 4.46Å; V101-E105 WeakPolarHBondContact O-CG 3.27Å; V101-E105 PolarHBondContact O-N 3.22Å; K103-E105 VanDerWaalsContact C-N 3.33Å; K103-E105 PolarHBondContact O-N 3.44Å; E105-Y107 PolarHBondContact O-N 3.24Å; E105-R108 PolarHBondContact O-N 3.13Å; E105-R108 IonicContact OE1-CZ 3.07Å; E105-R108 IonicContact OE1-NH1 3.74Å; E105-R108 PolarHBondContact OE1-NH1 3.48Å; E105-R108 IonicContact OE1-NH2 3.64Å; E105-R108 IonicContact OE2-CZ 2.66Å; E105-R108 IonicContact OE2-NH1 2.66Å; E105-R108 PolarHBondContact OE2-NH1 3.18Å; E105-M109 VanDerWaalsContact O-CB 3.26Å; E105-M109 WeakPolarHBondContact O-CB 3.3Å; E105-M109 PolarHBondContact O-N 3.46Å
106L98.4Very high97.7Very high3 Ų368.6 Ų68.62%0.01633%0.328CS..Hα-helixtrans-55.4-53.1174.9171.565.8000110.9V89 T102 K103 M109 L110 L120 L142 L144V89-L106 HydrophobicContact CG2-CD1 4.04Å; T102-L106 VanDerWaalsContact O-CB 3.27Å; T102-L106 WeakPolarHBondContact O-CB 3.26Å; T102-L106 PolarHBondContact O-N 3.33Å; K103-L106 WeakPolarHBondContact O-CB 3.47Å; K103-L106 PolarHBondContact O-N 2.87Å; L106-M109 HydrophobicContact CD1-CE 3.94Å; L106-M109 PolarHBondContact O-N 3.29Å; L106-L110 HydrophobicContact CD1-CD1 3.82Å; L106-L110 HydrophobicContact CD1-CG 4.01Å; L106-L110 HydrophobicContact CG-CD1 4.07Å; L106-L110 VanDerWaalsContact O-CG 3.3Å; L106-L110 WeakPolarHBondContact O-CG 3.48Å; L106-L110 PolarHBondContact O-N 2.83Å; L106-L120 HydrophobicContact CD1-CD1 3.88Å; L106-L120 HydrophobicContact CD1-CD2 3.91Å; L106-L142 HydrophobicContact CD2-CB 4.37Å; L106-L144 HydrophobicContact CD2-CD2 3.88Å
107Y98.2Very high97.5Very high74 Ų7471.6 Ų71.629%0.2934%0.344SS..Hα-helixtrans-70.6-34.8-177.9-80.7-83.8000112.8K103 E104 E105 M109 L110 A111 L142 Q143 V147K103-Y107 HydrophobicContact CG-CD2 3.8Å; K103-Y107 HydrophobicContact CG-CE2 3.8Å; K103-Y107 VanDerWaalsContact O-CD2 3.32Å; K103-Y107 WeakPolarHBondContact O-CD2 3.43Å; K103-Y107 PolarHBondContact O-N 3.45Å; E104-Y107 PolarHBondContact O-N 3.43Å; E105-Y107 PolarHBondContact O-N 3.24Å; Y107-M109 VanDerWaalsContact C-N 3.29Å; Y107-M109 PolarHBondContact O-N 3.37Å; Y107-L110 PolarHBondContact O-N 2.87Å; Y107-A111 WeakPolarHBondContact O-CB 3.29Å; Y107-A111 PolarHBondContact O-N 2.81Å; Y107-A111 VanDerWaalsContact O-N 3.09Å; Y107-L142 WeakPolarHBondContact CE2-O 3.48Å; Y107-L142 PolarHBondContact OH-O 2.61Å; Y107-Q143 PolarHBondContact OH-O 3.04Å; Y107-V147 HydrophobicContact CE1-CG2 4.33Å
108R97.3Very high97.5Very high147 Ų14763.3 Ų63.356%0.55531%0.306SS*.Hα-helixtrans-59.6-43.6173-175.2-174.5-62.6150.52.4111.2E104 E105E104-R108 WeakPolarHBondContact O-CB 3.4Å; E104-R108 PolarHBondContact O-N 3Å; E105-R108 PolarHBondContact O-N 3.13Å; E105-R108 IonicContact OE1-CZ 3.07Å; E105-R108 IonicContact OE1-NH1 3.74Å; E105-R108 PolarHBondContact OE1-NH1 3.48Å; E105-R108 IonicContact OE1-NH2 3.64Å; E105-R108 IonicContact OE2-CZ 2.66Å; E105-R108 IonicContact OE2-NH1 2.66Å; E105-R108 PolarHBondContact OE2-NH1 3.18Å
109M97.3Very high97.5Very high1 Ų160.2 Ų60.21%0.00530%0.296CS..Hα-helixtrans-67.7-49.9178.1172.9-17766.300111.8I20 V22 Y81 V87 V89 E105 L106 Y107 A111 H112 L115I20-M109 HydrophobicContact CD1-SD 4.44Å; V22-M109 HydrophobicContact CG2-CE 4.18Å; V22-M109 HydrophobicContact CG2-SD 3.8Å; Y81-M109 HydrophobicContact CE1-CG 3.98Å; Y81-M109 HydrophobicContact CE1-SD 4.34Å; Y81-M109 HydrophobicContact CE2-CG 4.23Å; Y81-M109 WeakPolarHBondContact OH-CG 3.44Å; V87-M109 HydrophobicContact CG1-CE 3.51Å; V87-M109 HydrophobicContact CG1-SD 3.6Å; V89-M109 HydrophobicContact CG2-CE 3.83Å; E105-M109 VanDerWaalsContact O-CB 3.26Å; E105-M109 WeakPolarHBondContact O-CB 3.3Å; E105-M109 PolarHBondContact O-N 3.46Å; L106-M109 HydrophobicContact CD1-CE 3.94Å; L106-M109 PolarHBondContact O-N 3.29Å; Y107-M109 VanDerWaalsContact C-N 3.29Å; Y107-M109 PolarHBondContact O-N 3.37Å; M109-A111 PolarHBondContact O-N 2.85Å; M109-H112 VanDerWaalsContact O-CB 3.28Å; M109-H112 WeakPolarHBondContact O-CB 3.34Å; M109-H112 PolarHBondContact O-N 2.76Å; M109-L115 HydrophobicContact CB-CD1 4.48Å; M109-L115 HydrophobicContact CG-CD1 3.2Å; M109-L115 HydrophobicContact SD-CD1 4.06Å
110L96.9Very high97.5Very high14 Ų1459.4 Ų59.47%0.07329%0.292CS..Hα-helixtrans-62.9-25.4-179.2-67179.7000113.2L106 Y107 H112 L120 V147L106-L110 HydrophobicContact CD1-CD1 3.82Å; L106-L110 HydrophobicContact CD1-CG 4.01Å; L106-L110 HydrophobicContact CG-CD1 4.07Å; L106-L110 VanDerWaalsContact O-CG 3.3Å; L106-L110 WeakPolarHBondContact O-CG 3.48Å; L106-L110 PolarHBondContact O-N 2.83Å; Y107-L110 PolarHBondContact O-N 2.87Å; L110-H112 PolarHBondContact O-N 3.47Å; L110-L120 HydrophobicContact CD1-CD2 4.11Å; L110-L120 HydrophobicContact CD2-CD2 4.43Å; L110-V147 HydrophobicContact CD1-CG1 4.05Å; L110-V147 HydrophobicContact CD1-CG2 3.98Å
111A96.9Very high97.5Very high86 Ų8656.5 Ų56.571%0.71127%0.272SS*.THydrogen-bonded Turntrans-69.8-12.9174.300000114Y107 M109Y107-A111 WeakPolarHBondContact O-CB 3.29Å; Y107-A111 PolarHBondContact O-N 2.81Å; Y107-A111 VanDerWaalsContact O-N 3.09Å; M109-A111 PolarHBondContact O-N 2.85Å
112H97.9Very high97.5Very high59 Ų5954.6 Ų54.627%0.27326%0.26SS..SBendtrans-78.4132.7-177.7-161.6-78.6000111.9Y81 M109 L110 D114 L115Y81-H112 HydrophobicContact CD2-CB 3.73Å; Y81-H112 AromaticContact CD2-CD2 3.89Å; Y81-H112 AromaticContact CD2-CG 3.5Å; Y81-H112 AromaticContact CD2-ND1 3.66Å; Y81-H112 HydrophobicContact CE2-CB 3.84Å; Y81-H112 AromaticContact CE2-CG 3.9Å; M109-H112 VanDerWaalsContact O-CB 3.28Å; M109-H112 WeakPolarHBondContact O-CB 3.34Å; M109-H112 PolarHBondContact O-N 2.76Å; L110-H112 PolarHBondContact O-N 3.47Å; H112-D114 VanDerWaalsContact C-N 3.31Å; H112-D114 IonicContact CE1-OD2 2.67Å; H112-D114 PolarHBondContact ND1-N 3.1Å; H112-D114 PolarHBondContact O-N 3.1Å; H112-L115 PolarHBondContact O-N 3.31Å
113E96.6Very high97.5Very high162 Ų16254.1 Ų54.176%0.75726%0.257SS*.G310 helixtrans-59.5-37.3-172.362.7-176.7177.400114.1L115 K116E113-L115 PolarHBondContact O-N 2.86Å; E113-L115 VanDerWaalsContact O-N 3.15Å; E113-K116 VanDerWaalsContact O-CB 3.31Å; E113-K116 WeakPolarHBondContact O-CB 2.91Å; E113-K116 PolarHBondContact O-N 2.79Å; E113-K116 VanDerWaalsContact O-N 3.17Å
114D97.3Very high97.6Very high61 Ų6151.6 Ų51.633%0.32625%0.246SC..G310 helixtrans-59.7-23.7177.2-79.2-10.3000113.9T82 H112T82-D114 PolarHBondContact N-OD2 2.89Å; T82-D114 PolarHBondContact OG1-OD2 3.2Å; H112-D114 VanDerWaalsContact C-N 3.31Å; H112-D114 IonicContact CE1-OD2 2.67Å; H112-D114 PolarHBondContact ND1-N 3.1Å; H112-D114 PolarHBondContact O-N 3.1Å
115L97.8Very high97.6Very high0 Ų046.1 Ų46.10%022%0.221CC..G310 helixtrans-96.6-5.1-178.5-67.3-178.3000113.6I20 Y81 T84 V87 M109 H112 E113 K117 A118 H150I20-L115 HydrophobicContact CD1-CD2 4.43Å; Y81-L115 HydrophobicContact CD1-CD1 3.77Å; Y81-L115 HydrophobicContact CD1-CD2 4.24Å; Y81-L115 HydrophobicContact CD1-CG 4.18Å; Y81-L115 HydrophobicContact CD2-CD1 3.85Å; Y81-L115 HydrophobicContact CD2-CG 4.05Å; Y81-L115 HydrophobicContact CE1-CD1 3.96Å; Y81-L115 HydrophobicContact CE2-CD1 4.04Å; Y81-L115 HydrophobicContact CG-CD1 3.73Å; Y81-L115 HydrophobicContact CG-CD2 4.09Å; Y81-L115 HydrophobicContact CG-CG 3.77Å; T84-L115 HydrophobicContact CG2-CD2 3.95Å; V87-L115 HydrophobicContact CG2-CD1 4.15Å; V87-L115 HydrophobicContact CG2-CD2 3.9Å; M109-L115 HydrophobicContact CB-CD1 4.48Å; M109-L115 HydrophobicContact CG-CD1 3.2Å; M109-L115 HydrophobicContact SD-CD1 4.06Å; H112-L115 PolarHBondContact O-N 3.31Å; E113-L115 PolarHBondContact O-N 2.86Å; E113-L115 VanDerWaalsContact O-N 3.15Å; L115-K117 PolarHBondContact O-N 2.84Å; L115-A118 HydrophobicContact CB-CB 4.48Å; L115-A118 HydrophobicContact CD2-CB 4.19Å; L115-A118 VanDerWaalsContact O-CB 3.29Å; L115-A118 WeakPolarHBondContact O-CB 3.3Å; L115-A118 PolarHBondContact O-N 2.89Å; L115-H150 PolarHBondContact O-CE1 3.44Å
116K94.9Very high97.6Very high153 Ų15347.2 Ų47.267%0.66523%0.225SC*.THydrogen-bonded Turntrans-50.9-23.1-171.8-171.7174.7-177.2175.50115.8E113E113-K116 VanDerWaalsContact O-CB 3.31Å; E113-K116 WeakPolarHBondContact O-CB 2.91Å; E113-K116 PolarHBondContact O-N 2.79Å; E113-K116 VanDerWaalsContact O-N 3.17Å
117K92.8Very high97.6Very high179 Ų17949.9 Ų49.978%0.77824%0.237SC*.THydrogen-bonded Turntrans-107.5-4.1179.2-64-178.7-179.3176.80114.1L115 R179L115-K117 PolarHBondContact O-N 2.84Å; K117-R179 PolarHBondContact O-NH2 3.42Å
118A97.5Very high97.6Very high3 Ų350.6 Ų50.63%0.02525%0.246CC..  trans-71.5137.6-175.400000111E85 V87 L115 H150E85-A118 CarbonylContact O-C 3.53Å; E85-A118 VanDerWaalsContact O-CA 3.24Å; E85-A118 WeakPolarHBondContact O-CA 3.43Å; V87-A118 HydrophobicContact CG2-CB 4.08Å; L115-A118 HydrophobicContact CB-CB 4.48Å; L115-A118 HydrophobicContact CD2-CB 4.19Å; L115-A118 VanDerWaalsContact O-CB 3.29Å; L115-A118 WeakPolarHBondContact O-CB 3.3Å; L115-A118 PolarHBondContact O-N 2.89Å; A118-H150 PolarHBondContact O-ND1 2.87Å
119G98.1Very high97.6Very high5 Ų546.5 Ų46.55%0.05224%0.237CC..EExtended strand (participates in β ladder)trans-73.9145.5167.200000110.6E85 F86 V87E85-G119 PolarHBondContact O-N 2.82Å; F86-G119 CarbonylContact C-O 3.51Å; F86-G119 VanDerWaalsContact CA-O 3.27Å; F86-G119 WeakPolarHBondContact CA-O 3.4Å; V87-G119 PolarHBondContact N-O 3.13Å
120L98.6Very high97.6Very high0 Ų056.5 Ų56.50%028%0.281CS..EExtended strand (participates in β ladder)trans-111.7111.7-178.6176.168.6000110.9V87 V89 L106 L110 I122 Q151 W152 H153 W171V87-L120 HydrophobicContact CB-CD1 4.28Å; V87-L120 HydrophobicContact CG1-CD1 4.33Å; V89-L120 HydrophobicContact CG2-CD1 3.67Å; L106-L120 HydrophobicContact CD1-CD1 3.88Å; L106-L120 HydrophobicContact CD1-CD2 3.91Å; L110-L120 HydrophobicContact CD1-CD2 4.11Å; L110-L120 HydrophobicContact CD2-CD2 4.43Å; L120-I122 HydrophobicContact CD1-CD1 4.49Å; L120-I122 HydrophobicContact CD2-CD1 3.86Å; L120-I122 HydrophobicContact CG-CD1 3.7Å; L120-I122 HydrophobicContact CG-CG1 4.37Å; L120-Q151 PolarHBondContact N-O 3.23Å; L120-W152 HydrophobicContact CB-CB 3.88Å; L120-W152 HydrophobicContact CD2-CB 4.07Å; L120-W152 HydrophobicContact CG-CB 4.22Å; L120-W152 CarbonylContact O-C 3.49Å; L120-W152 WeakPolarHBondContact O-CA 3.13Å; L120-W152 WeakPolarHBondContact O-CB 3.14Å; L120-H153 PolarHBondContact O-N 3.03Å; L120-W171 WeakPolarHBondContact O-CH2 3.45Å
121L98.8Very high97.7Very high0 Ų058.8 Ų58.80%031%0.308CS..EExtended strand (participates in β ladder)trans-102.5126.8170.6177.561.8000109.3V87 I88 V89 F123 H153 Q155 W171 M172V87-L121 PolarHBondContact O-N 2.8Å; I88-L121 CarbonylContact C-O 3.55Å; I88-L121 VanDerWaalsContact CA-O 3.3Å; I88-L121 WeakPolarHBondContact CA-O 3.27Å; I88-L121 HydrophobicContact CD1-CD2 4.39Å; I88-L121 HydrophobicContact CG1-CB 4.33Å; I88-L121 HydrophobicContact CG1-CD2 4.26Å; V89-L121 PolarHBondContact N-O 3.17Å; L121-F123 HydrophobicContact CD2-CD2 4.33Å; L121-F123 HydrophobicContact CD2-CE1 4.4Å; L121-F123 HydrophobicContact CD2-CE2 3.72Å; L121-F123 HydrophobicContact CD2-CZ 3.76Å; L121-F123 HydrophobicContact CG-CE2 4.44Å; L121-H153 HydrophobicContact CD1-CB 4.21Å; L121-Q155 HydrophobicContact CD1-CB 4.4Å; L121-W171 HydrophobicContact CB-CE3 4.2Å; L121-W171 HydrophobicContact CB-CZ3 3.91Å; L121-W171 HydrophobicContact CD1-CE3 4.16Å; L121-M172 HydrophobicContact CD2-CG 4.07Å; L121-M172 HydrophobicContact CD2-SD 3.67Å
122I98.9Very high97.7Very high0 Ų055.7 Ų55.70%028%0.281CS..EExtended strand (participates in β ladder)trans-105.6119.3173.2-56.586.6000108V89 V91 L120 L142 L144 W152 H153 I154 Q155V89-I122 CarbonylContact O-C 3.59Å; V89-I122 WeakPolarHBondContact O-CA 3.24Å; V91-I122 HydrophobicContact CG2-CG2 3.7Å; L120-I122 HydrophobicContact CD1-CD1 4.49Å; L120-I122 HydrophobicContact CD2-CD1 3.86Å; L120-I122 HydrophobicContact CG-CD1 3.7Å; L120-I122 HydrophobicContact CG-CG1 4.37Å; I122-L142 HydrophobicContact CG2-CD1 4.25Å; I122-L144 HydrophobicContact CD1-CD1 3.81Å; I122-L144 HydrophobicContact CD1-CD2 4.01Å; I122-L144 HydrophobicContact CG1-CD1 4.11Å; I122-L144 HydrophobicContact CG1-CD2 4.21Å; I122-W152 HydrophobicContact CD1-CB 4.43Å; I122-W152 HydrophobicContact CD1-CE3 4.45Å; I122-H153 VanDerWaalsContact CD1-O 3.28Å; I122-H153 WeakPolarHBondContact CD1-O 3.08Å; I122-H153 PolarHBondContact N-O 3.14Å; I122-I154 HydrophobicContact CB-CB 4.1Å; I122-I154 HydrophobicContact CB-CD1 4.4Å; I122-I154 HydrophobicContact CB-CG1 3.91Å; I122-I154 HydrophobicContact CG2-CD1 4.03Å; I122-I154 HydrophobicContact CG2-CG1 3.94Å; I122-I154 CarbonylContact O-C 3.54Å; I122-I154 WeakPolarHBondContact O-CA 3.25Å; I122-Q155 PolarHBondContact O-N 2.93Å
123F98.9Very high97.8Very high0 Ų053 Ų530%027%0.269CS..EExtended strand (participates in β ladder)trans-92.1110166.4-84-52.9000109.4I32 F36 I88 V89 V91 L121 N125 Q155 C157 L165I32-F123 HydrophobicContact CD1-CB 4.12Å; I32-F123 HydrophobicContact CD1-CD2 3.92Å; I32-F123 HydrophobicContact CD1-CG 4.16Å; I32-F123 HydrophobicContact CG2-CD2 4.4Å; I32-F123 HydrophobicContact CG2-CE2 4.24Å; F36-F123 HydrophobicContact CE2-CE2 4.41Å; F36-F123 HydrophobicContact CZ-CE2 4.08Å; F36-F123 HydrophobicContact CZ-CZ 4.09Å; I88-F123 HydrophobicContact CG2-CD2 3.52Å; I88-F123 HydrophobicContact CG2-CE2 3.98Å; V89-F123 PolarHBondContact O-N 3.15Å; V91-F123 PolarHBondContact N-O 3.02Å; L121-F123 HydrophobicContact CD2-CD2 4.33Å; L121-F123 HydrophobicContact CD2-CE1 4.4Å; L121-F123 HydrophobicContact CD2-CE2 3.72Å; L121-F123 HydrophobicContact CD2-CZ 3.76Å; L121-F123 HydrophobicContact CG-CE2 4.44Å; F123-N125 VanDerWaalsContact C-N 3.3Å; F123-N125 PolarHBondContact O-N 2.86Å; F123-N125 VanDerWaalsContact O-N 3.1Å; F123-Q155 HydrophobicContact CD1-CB 3.98Å; F123-Q155 HydrophobicContact CD1-CG 4.19Å; F123-Q155 HydrophobicContact CE1-CB 4.02Å; F123-Q155 HydrophobicContact CE1-CG 3.9Å; F123-C157 HydrophobicContact CD1-CB 3.85Å; F123-C157 VanDerWaalsContact CD1-SG 3.51Å; F123-C157 HydrophobicContact CE1-CB 4.27Å; F123-L165 HydrophobicContact CD1-CD2 4.13Å; F123-L165 HydrophobicContact CD2-CD2 4.49Å; F123-L165 HydrophobicContact CE1-CD2 3.77Å; F123-L165 HydrophobicContact CE2-CD2 4.15Å; F123-L165 HydrophobicContact CG-CD2 4.49Å; F123-L165 HydrophobicContact CZ-CD2 3.78Å
124A98.8Very high97.9Very high0 Ų047.7 Ų47.70%025%0.249CC..EExtended strand (participates in β ladder)trans-77.386.2165.200000107.7S93 Q127 V135 I138 I154 Q155 C157S93-A124 VanDerWaalsContact OG-C 3.3Å; A124-Q127 WeakPolarHBondContact O-CG 3.41Å; A124-V135 HydrophobicContact CB-CG2 4.22Å; A124-I138 HydrophobicContact CB-CD1 3.5Å; A124-I154 HydrophobicContact CB-CD1 4.43Å; A124-I154 HydrophobicContact CB-CG1 4.41Å; A124-Q155 PolarHBondContact N-O 3.27Å; A124-C157 PolarHBondContact O-N 3.06Å
125N98.8Very high97.9Very high4 Ų446.8 Ų46.82%0.02125%0.246CC..EExtended strand (participates in β ladder)trans-87.6161.7-170.7-17032.3000112.2A27 V90 V91 S93 F123 C157 A159A27-N125 PolarHBondContact O-ND2 3.23Å; V90-N125 HydrophobicContact CG1-CB 3.86Å; V91-N125 WeakPolarHBondContact O-CB 3.35Å; V91-N125 PolarHBondContact O-N 3Å; S93-N125 WeakPolarHBondContact CB-O 3.08Å; S93-N125 PolarHBondContact N-O 3.09Å; S93-N125 PolarHBondContact OG-N 3.21Å; S93-N125 PolarHBondContact OG-O 3.14Å; F123-N125 VanDerWaalsContact C-N 3.3Å; F123-N125 PolarHBondContact O-N 2.86Å; F123-N125 VanDerWaalsContact O-N 3.1Å; N125-C157 CarbonylContact C-O 3.58Å; N125-C157 WeakPolarHBondContact CA-O 3.42Å; N125-C157 VanDerWaalsContact CA-SG 3.56Å; N125-C157 PolarHBondContact OD1-SG 2.87Å; N125-A159 WeakPolarHBondContact OD1-CB 3.42Å; N125-A159 PolarHBondContact OD1-N 2.87Å
126K98.5Very high98Very high40 Ų4050.2 Ų50.217%0.17427%0.274CS..  trans67.634.7-177.6-43.7-168.2-167.1174.70113.8N26 D92 T94 D128 V129 C157N26-K126 VanDerWaalsContact O-CE 3.26Å; N26-K126 WeakPolarHBondContact O-CE 3.07Å; N26-K126 PolarHBondContact O-NZ 2.74Å; D92-K126 WeakPolarHBondContact OD1-CD 3.48Å; D92-K126 IonicContact OD1-NZ 3.27Å; D92-K126 WeakPolarHBondContact OD2-CE 3.29Å; D92-K126 IonicContact OD2-NZ 3.79Å; D92-K126 PolarHBondContact OD2-NZ 3.24Å; T94-K126 HydrophobicContact CG2-CB 4.22Å; K126-D128 VanDerWaalsContact C-OD1 3.3Å; K126-D128 VanDerWaalsContact CA-OD1 3.27Å; K126-D128 WeakPolarHBondContact CA-OD1 2.94Å; K126-D128 PolarHBondContact O-N 3.25Å; K126-V129 HydrophobicContact CB-CG2 4.19Å; K126-V129 PolarHBondContact O-N 2.86Å; K126-C157 PolarHBondContact N-O 3.15Å
127Q98.6Very high98.1Very high59 Ų5946.2 Ų46.228%0.27626%0.258SS..THydrogen-bonded Turntrans-69.2-11.3177.2-70.2-74.2-55.200113.3S93 A124 V129 M133 A156 C157S93-Q127 PolarHBondContact OG-NE2 3.15Å; A124-Q127 WeakPolarHBondContact O-CG 3.41Å; Q127-V129 PolarHBondContact O-N 3.12Å; Q127-M133 PolarHBondContact NE2-O 3.12Å; Q127-A156 HydrophobicContact CG-CB 3.91Å; Q127-C157 PolarHBondContact N-O 3.28Å
128D97.9Very high98.4Very high90 Ų9037.7 Ų37.748%0.48122%0.22SC..THydrogen-bonded Turntrans-67.7-19.517057.9-69.7000113.3K126 C158K126-D128 VanDerWaalsContact C-OD1 3.3Å; K126-D128 VanDerWaalsContact CA-OD1 3.27Å; K126-D128 WeakPolarHBondContact CA-OD1 2.94Å; K126-D128 PolarHBondContact O-N 3.25Å; D128-C158 HydrophobicContact CB-CB 4.41Å; D128-C158 VanDerWaalsContact CG-SG 3.54Å; D128-C158 PolarHBondContact OD1-SG 3.37Å
129V98.2Very high98.5Very high60 Ų6038.6 Ų38.636%0.36423%0.226SC..SBendtrans-83.8123.6-176.5-176.30000111.2T94 K126 Q127 G131 C132T94-V129 HydrophobicContact CG2-CB 3.63Å; T94-V129 HydrophobicContact CG2-CG1 3.68Å; T94-V129 HydrophobicContact CG2-CG2 3.89Å; K126-V129 HydrophobicContact CB-CG2 4.19Å; K126-V129 PolarHBondContact O-N 2.86Å; Q127-V129 PolarHBondContact O-N 3.12Å; V129-G131 PolarHBondContact O-N 2.9Å; V129-C132 WeakPolarHBondContact O-CB 3.31Å; V129-C132 PolarHBondContact O-N 3.04Å; V129-C132 PolarHBondContact O-SG 3.27Å
130K97.6Very high98.5Very high211 Ų21145.6 Ų45.692%0.91726%0.258SS*.THydrogen-bonded Turntrans-59.8128.6176.5-173.2178.6-179.4-179.70111.3C132K130-C132 VanDerWaalsContact C-N 3.35Å
131G97.1Very high98.5Very high62 Ų6248 Ų4864%0.63928%0.275SS*.THydrogen-bonded Turntrans85.53.3178.200000114.8R96 V129R96-G131 PolarHBondContact NH2-O 2.93Å; V129-G131 PolarHBondContact O-N 2.9Å
132C98.4Very high98.5Very high22 Ų2248 Ų4815%0.14928%0.275CS..PPolyproline II helixtrans-58.1160.1169.469.30000111.6S93 T94 R96 V129 K130S93-C132 CarbonylContact O-C 3.52Å; S93-C132 WeakPolarHBondContact O-CA 3.2Å; T94-C132 HydrophobicContact CG2-CB 4.13Å; R96-C132 PolarHBondContact NH2-O 3.18Å; V129-C132 WeakPolarHBondContact O-CB 3.31Å; V129-C132 PolarHBondContact O-N 3.04Å; V129-C132 PolarHBondContact O-SG 3.27Å; K130-C132 VanDerWaalsContact C-N 3.35Å
133M98.8Very high98.5Very high3 Ų352.2 Ų52.22%0.01530%0.295CS..PPolyproline II helixtrans-62.7133.4171.1-67.9178.8-78.200109.8S93 R96 I99 Q127 E137 I138S93-M133 WeakPolarHBondContact O-CB 3.5Å; S93-M133 WeakPolarHBondContact O-CE 3.45Å; S93-M133 PolarHBondContact O-N 3Å; R96-M133 HydrophobicContact CB-SD 4.46Å; R96-M133 HydrophobicContact CG-CE 4.13Å; R96-M133 HydrophobicContact CG-CG 3.55Å; R96-M133 HydrophobicContact CG-SD 3.73Å; R96-M133 VanDerWaalsContact CZ-CG 3.45Å; I99-M133 HydrophobicContact CB-CE 4.34Å; I99-M133 HydrophobicContact CB-SD 4.47Å; I99-M133 HydrophobicContact CD1-CE 4.21Å; I99-M133 HydrophobicContact CG1-CE 4.38Å; I99-M133 HydrophobicContact CG1-SD 4.34Å; Q127-M133 PolarHBondContact NE2-O 3.12Å; M133-E137 WeakPolarHBondContact CA-OE2 3.4Å; M133-E137 HydrophobicContact CB-CB 4.22Å; M133-I138 HydrophobicContact CB-CD1 4Å; M133-I138 HydrophobicContact CB-CG1 3.65Å; M133-I138 HydrophobicContact CE-CG1 4.26Å; M133-I138 HydrophobicContact CG-CG1 4.5Å; M133-I138 HydrophobicContact SD-CG1 4.16Å
134S98.7Very high98.5Very high49 Ų4952.2 Ų52.234%0.34330%0.295SS..PPolyproline II helixtrans-64.9159.4166.263.80000111.2A136 E137 I138S134-A136 PolarHBondContact O-N 3.37Å; S134-E137 WeakPolarHBondContact CB-OE2 3.28Å; S134-E137 PolarHBondContact N-OE2 3.37Å; S134-E137 PolarHBondContact O-N 2.84Å; S134-E137 VanDerWaalsContact O-N 3.14Å; S134-E137 WeakPolarHBondContact OG-CG 3.36Å; S134-E137 PolarHBondContact OG-N 3.45Å; S134-E137 PolarHBondContact OG-OE2 3.46Å; S134-I138 PolarHBondContact O-N 3.43Å
135V98.6Very high98.4Very high43 Ų4356.5 Ų56.526%0.26132%0.321SS..Hα-helixtrans-53.2-39.2172.4174.50000111.9A124 I138 S139 I154 A156A124-V135 HydrophobicContact CB-CG2 4.22Å; V135-I138 PolarHBondContact O-N 2.98Å; V135-S139 WeakPolarHBondContact O-CB 3.41Å; V135-S139 PolarHBondContact O-N 3.3Å; V135-I154 HydrophobicContact CG1-CB 4.36Å; V135-I154 HydrophobicContact CG1-CD1 3.92Å; V135-I154 HydrophobicContact CG1-CG1 3.91Å; V135-I154 HydrophobicContact CG1-CG2 3.62Å; V135-A156 HydrophobicContact CG2-CB 3.56Å
136A98.6Very high98.4Very high71 Ų7159.8 Ų59.859%0.58734%0.344SS*.Hα-helixtrans-65.5-44.9178.800000111.9S134 S139 Q140S134-A136 PolarHBondContact O-N 3.37Å; A136-S139 PolarHBondContact O-N 2.85Å; A136-Q140 WeakPolarHBondContact O-CB 3.4Å; A136-Q140 PolarHBondContact O-N 3.27Å
137E98.6Very high98.3Very high70 Ų7058.1 Ų58.133%0.32734%0.337SS..Hα-helixtrans-61.2-44.7175.5-74.3167.1108.600111.5R96 M133 S134 Q140 S141R96-E137 IonicContact CZ-OE1 2.74Å; R96-E137 IonicContact NH1-OE1 3.81Å; R96-E137 PolarHBondContact NH1-OE1 3.27Å; R96-E137 IonicContact NH2-OE1 3.98Å; R96-E137 PolarHBondContact NH2-OE1 2.78Å; R96-E137 IonicContact NH2-OE2 3.14Å; M133-E137 WeakPolarHBondContact CA-OE2 3.4Å; M133-E137 HydrophobicContact CB-CB 4.22Å; S134-E137 WeakPolarHBondContact CB-OE2 3.28Å; S134-E137 PolarHBondContact N-OE2 3.37Å; S134-E137 PolarHBondContact O-N 2.84Å; S134-E137 VanDerWaalsContact O-N 3.14Å; S134-E137 WeakPolarHBondContact OG-CG 3.36Å; S134-E137 PolarHBondContact OG-N 3.45Å; S134-E137 PolarHBondContact OG-OE2 3.46Å; E137-Q140 PolarHBondContact O-N 3.41Å; E137-S141 WeakPolarHBondContact O-CB 3.4Å; E137-S141 PolarHBondContact O-N 2.89Å; E137-S141 PolarHBondContact O-OG 3.5Å
138I98.8Very high98.2Very high0 Ų063.5 Ų63.50%036%0.36CS..Hα-helixtrans-63-47.2177.8-66.8167.1000110.4V91 S93 I99 A124 M133 S134 V135 Q140 S141 L142 I154V91-I138 HydrophobicContact CB-CG2 4.47Å; V91-I138 HydrophobicContact CG1-CD1 4.32Å; V91-I138 HydrophobicContact CG1-CG2 4.1Å; V91-I138 HydrophobicContact CG2-CG2 4.33Å; S93-I138 WeakPolarHBondContact OG-CD1 3.48Å; I99-I138 HydrophobicContact CD1-CG2 4.44Å; A124-I138 HydrophobicContact CB-CD1 3.5Å; M133-I138 HydrophobicContact CB-CD1 4Å; M133-I138 HydrophobicContact CB-CG1 3.65Å; M133-I138 HydrophobicContact CE-CG1 4.26Å; M133-I138 HydrophobicContact CG-CG1 4.5Å; M133-I138 HydrophobicContact SD-CG1 4.16Å; S134-I138 PolarHBondContact O-N 3.43Å; V135-I138 PolarHBondContact O-N 2.98Å; I138-Q140 VanDerWaalsContact C-N 3.25Å; I138-Q140 PolarHBondContact O-N 3.37Å; I138-S141 PolarHBondContact O-N 2.87Å; I138-L142 HydrophobicContact CG2-CD1 3.75Å; I138-L142 HydrophobicContact CG2-CG 4.18Å; I138-L142 WeakPolarHBondContact O-CB 3.15Å; I138-L142 WeakPolarHBondContact O-CG 3.44Å; I138-L142 PolarHBondContact O-N 2.87Å; I138-I154 HydrophobicContact CB-CD1 4.07Å; I138-I154 HydrophobicContact CG2-CD1 3.73Å
139S98.8Very high98Very high21 Ų2164.6 Ų64.615%0.14737%0.365CS..Hα-helixtrans-58.7-39.2177.9-177.20000112V135 A136 Q143 L144V135-S139 WeakPolarHBondContact O-CB 3.41Å; V135-S139 PolarHBondContact O-N 3.3Å; A136-S139 PolarHBondContact O-N 2.85Å; S139-Q143 PolarHBondContact O-N 3Å; S139-Q143 VanDerWaalsContact O-N 3.12Å; S139-L144 PolarHBondContact O-N 3.27Å; S139-L144 VanDerWaalsContact O-N 3.12Å
140Q98.6Very high98Very high152 Ų15262.3 Ų62.371%0.7135%0.351SS*.Hα-helixtrans-69.7-47.9176.9-176.7177.3-4.300111.6A136 E137 I138 L142 Q143A136-Q140 WeakPolarHBondContact O-CB 3.4Å; A136-Q140 PolarHBondContact O-N 3.27Å; E137-Q140 PolarHBondContact O-N 3.41Å; I138-Q140 VanDerWaalsContact C-N 3.25Å; I138-Q140 PolarHBondContact O-N 3.37Å; Q140-L142 VanDerWaalsContact C-N 3.34Å; Q140-L142 PolarHBondContact O-N 2.77Å; Q140-Q143 WeakPolarHBondContact O-CG 3.42Å; Q140-Q143 PolarHBondContact O-N 2.9Å
141S98.6Very high97.9Very high52 Ų5257.2 Ų57.236%0.36433%0.33SS..Hα-helixtrans-61.6-41179.5-72.70000112.3K103 E137 I138 Q143K103-S141 WeakPolarHBondContact CD-O 3.37Å; E137-S141 WeakPolarHBondContact O-CB 3.4Å; E137-S141 PolarHBondContact O-N 2.89Å; E137-S141 PolarHBondContact O-OG 3.5Å; I138-S141 PolarHBondContact O-N 2.87Å; S141-Q143 VanDerWaalsContact C-N 3.26Å; S141-Q143 PolarHBondContact O-N 3.19Å
142L98.7Very high98Very high0 Ų058 Ų580%031%0.314CS..THydrogen-bonded Turntrans-78.6-8.2175.8-62.5-176.7000113.3V91 I99 T102 K103 L106 Y107 I122 I138 Q140 L144V91-L142 HydrophobicContact CG2-CD1 4.01Å; I99-L142 HydrophobicContact CD1-CD2 3.82Å; I99-L142 HydrophobicContact CD1-CG 4.16Å; I99-L142 HydrophobicContact CG1-CD2 4.21Å; T102-L142 HydrophobicContact CG2-CD2 4.05Å; K103-L142 HydrophobicContact CB-CD2 3.89Å; L106-L142 HydrophobicContact CD2-CB 4.37Å; Y107-L142 WeakPolarHBondContact CE2-O 3.48Å; Y107-L142 PolarHBondContact OH-O 2.61Å; I122-L142 HydrophobicContact CG2-CD1 4.25Å; I138-L142 HydrophobicContact CG2-CD1 3.75Å; I138-L142 HydrophobicContact CG2-CG 4.18Å; I138-L142 WeakPolarHBondContact O-CB 3.15Å; I138-L142 WeakPolarHBondContact O-CG 3.44Å; I138-L142 PolarHBondContact O-N 2.87Å; Q140-L142 VanDerWaalsContact C-N 3.34Å; Q140-L142 PolarHBondContact O-N 2.77Å; L142-L144 VanDerWaalsContact C-N 3.28Å; L142-L144 HydrophobicContact CB-CD2 3.76Å; L142-L144 HydrophobicContact CB-CG 3.95Å; L142-L144 HydrophobicContact CD1-CD2 4.27Å; L142-L144 PolarHBondContact O-N 3.43Å
143Q98.4Very high98Very high88 Ų8859.5 Ų59.541%0.41132%0.319SS..THydrogen-bonded Turntrans5440.1-177.5-62.4-178.2-11.200113.6K103 Y107 S139 Q140 S141 T145 S146K103-Q143 VanDerWaalsContact NZ-NE2 3.1Å; Y107-Q143 PolarHBondContact OH-O 3.04Å; S139-Q143 PolarHBondContact O-N 3Å; S139-Q143 VanDerWaalsContact O-N 3.12Å; Q140-Q143 WeakPolarHBondContact O-CG 3.42Å; Q140-Q143 PolarHBondContact O-N 2.9Å; S141-Q143 VanDerWaalsContact C-N 3.26Å; S141-Q143 PolarHBondContact O-N 3.19Å; Q143-T145 PolarHBondContact O-N 2.95Å; Q143-S146 VanDerWaalsContact O-CB 3.31Å; Q143-S146 WeakPolarHBondContact O-CB 3.49Å; Q143-S146 PolarHBondContact O-N 2.75Å
144L98.4Very high98Very high0 Ų060.3 Ų60.30%032%0.323CS..G310 helixtrans-57.8-29.1-175-60.1-178000113.2L106 I122 S139 L142 S146 V147 W152 I154L106-L144 HydrophobicContact CD2-CD2 3.88Å; I122-L144 HydrophobicContact CD1-CD1 3.81Å; I122-L144 HydrophobicContact CD1-CD2 4.01Å; I122-L144 HydrophobicContact CG1-CD1 4.11Å; I122-L144 HydrophobicContact CG1-CD2 4.21Å; S139-L144 PolarHBondContact O-N 3.27Å; S139-L144 VanDerWaalsContact O-N 3.12Å; L142-L144 VanDerWaalsContact C-N 3.28Å; L142-L144 HydrophobicContact CB-CD2 3.76Å; L142-L144 HydrophobicContact CB-CG 3.95Å; L142-L144 HydrophobicContact CD1-CD2 4.27Å; L142-L144 PolarHBondContact O-N 3.43Å; L144-S146 PolarHBondContact O-N 2.83Å; L144-S146 VanDerWaalsContact O-N 3.14Å; L144-V147 WeakPolarHBondContact O-CB 3.43Å; L144-V147 PolarHBondContact O-N 3.04Å; L144-W152 HydrophobicContact CB-CD2 4.22Å; L144-W152 HydrophobicContact CB-CE3 4.12Å; L144-W152 HydrophobicContact CB-CH2 3.8Å; L144-W152 HydrophobicContact CB-CZ2 3.87Å; L144-W152 HydrophobicContact CB-CZ3 3.92Å; L144-W152 HydrophobicContact CD1-CE3 4.03Å; L144-W152 HydrophobicContact CD1-CZ3 3.87Å; L144-W152 PolarHBondContact O-NE1 3.25Å; L144-I154 HydrophobicContact CD1-CB 4.11Å; L144-I154 HydrophobicContact CD1-CD1 4.05Å; L144-I154 HydrophobicContact CD1-CG2 4.47Å
145T97.7Very high98Very high90 Ų9059.7 Ų59.755%0.55231%0.314SS*.G310 helixtrans-61.2-21.817552.60000113.8Q143 K148Q143-T145 PolarHBondContact O-N 2.95Å; T145-K148 WeakPolarHBondContact O-CE 3.36Å; T145-K148 PolarHBondContact O-NZ 3.3Å
146S97.8Very high98Very high72 Ų7259.2 Ų59.250%0.50332%0.315SS..G310 helixtrans-82.7-14.3176.5-57.90000112.9Q143 L144 K148Q143-S146 VanDerWaalsContact O-CB 3.31Å; Q143-S146 WeakPolarHBondContact O-CB 3.49Å; Q143-S146 PolarHBondContact O-N 2.75Å; L144-S146 PolarHBondContact O-N 2.83Å; L144-S146 VanDerWaalsContact O-N 3.14Å; S146-K148 PolarHBondContact O-N 3.11Å
147V97.7Very high98Very high5 Ų556 Ų563%0.0329%0.288CS..  trans-77.6109.3173-176.80000108.1Y107 L110 L144 H150 W152Y107-V147 HydrophobicContact CE1-CG2 4.33Å; L110-V147 HydrophobicContact CD1-CG1 4.05Å; L110-V147 HydrophobicContact CD1-CG2 3.98Å; L144-V147 WeakPolarHBondContact O-CB 3.43Å; L144-V147 PolarHBondContact O-N 3.04Å; V147-H150 HydrophobicContact CG1-CB 3.86Å; V147-W152 PolarHBondContact O-NE1 3.11Å
148K95.6Very high98Very high173 Ų17352.8 Ų52.875%0.75227%0.273SS*.  trans-114.8-23.8-173.7-62-52.7-168.8-168.90113.8T145 S146T145-K148 WeakPolarHBondContact O-CE 3.36Å; T145-K148 PolarHBondContact O-NZ 3.3Å; S146-K148 PolarHBondContact O-N 3.11Å
149D94.9Very high97.9Very high113 Ų11352.9 Ų52.960%0.60428%0.275SS*.SBendtrans-88.1-15.2-176.750-17.6000113.2
150H96.9Very high97.7Very high12 Ų1256.6 Ų56.66%0.05629%0.292CS..SBendtrans-116.7141.7173.7-64.8-110.4000111.8L115 A118 V147L115-H150 PolarHBondContact O-CE1 3.44Å; A118-H150 PolarHBondContact O-ND1 2.87Å; V147-H150 HydrophobicContact CG1-CB 3.86Å
151Q96.8Very high97.5Very high103 Ų10353.6 Ų53.648%0.48128%0.284SS..  trans-71.2131.8162-67.3-178.7-14.400108.5L120 W171L120-Q151 PolarHBondContact N-O 3.23Å; Q151-W171 HydrophobicContact CB-CZ2 4.45Å
152W98.4Very high97.3Very high78 Ų7851.9 Ų51.930%0.29528%0.275SS..EExtended strand (participates in β ladder)trans-138.6158.8-179.264.7-95.8000113.6L120 I122 L144 V147 I154 W171L120-W152 HydrophobicContact CB-CB 3.88Å; L120-W152 HydrophobicContact CD2-CB 4.07Å; L120-W152 HydrophobicContact CG-CB 4.22Å; L120-W152 CarbonylContact O-C 3.49Å; L120-W152 WeakPolarHBondContact O-CA 3.13Å; L120-W152 WeakPolarHBondContact O-CB 3.14Å; I122-W152 HydrophobicContact CD1-CB 4.43Å; I122-W152 HydrophobicContact CD1-CE3 4.45Å; L144-W152 HydrophobicContact CB-CD2 4.22Å; L144-W152 HydrophobicContact CB-CE3 4.12Å; L144-W152 HydrophobicContact CB-CH2 3.8Å; L144-W152 HydrophobicContact CB-CZ2 3.87Å; L144-W152 HydrophobicContact CB-CZ3 3.92Å; L144-W152 HydrophobicContact CD1-CE3 4.03Å; L144-W152 HydrophobicContact CD1-CZ3 3.87Å; L144-W152 PolarHBondContact O-NE1 3.25Å; V147-W152 PolarHBondContact O-NE1 3.11Å; W152-I154 HydrophobicContact CZ3-CG2 4.09Å; W152-W171 VanDerWaalsContact C-CZ2 3.43Å
153H98.6Very high97.2Very high54 Ų5458.8 Ų58.825%0.2531%0.307CS..EExtended strand (participates in β ladder)trans-144.5146.3171.3-17963.5000110L120 L121 I122 Q155 W171L120-H153 PolarHBondContact O-N 3.03Å; L121-H153 HydrophobicContact CD1-CB 4.21Å; I122-H153 VanDerWaalsContact CD1-O 3.28Å; I122-H153 WeakPolarHBondContact CD1-O 3.08Å; I122-H153 PolarHBondContact N-O 3.14Å; H153-Q155 PolarHBondContact NE2-OE1 2.7Å; H153-Q155 VanDerWaalsContact NE2-OE1 3.15Å; H153-W171 HydrophobicContact CB-CD2 3.44Å; H153-W171 VanDerWaalsContact CB-CD2 3.44Å; H153-W171 HydrophobicContact CB-CE3 4.02Å; H153-W171 HydrophobicContact CB-CG 3.65Å; H153-W171 HydrophobicContact CB-CH2 4.38Å; H153-W171 HydrophobicContact CB-CZ2 3.86Å; H153-W171 HydrophobicContact CB-CZ3 4.46Å; H153-W171 AromaticContact CG-CD1 3.81Å; H153-W171 AromaticContact CG-CG 3.86Å
154I98.8Very high97.1Very high21 Ų2154.8 Ų54.811%0.10829%0.289CS..EExtended strand (participates in β ladder)trans-118.1132.1171.5-174.3170.8000109.3I122 A124 V135 I138 L144 W152I122-I154 HydrophobicContact CB-CB 4.1Å; I122-I154 HydrophobicContact CB-CD1 4.4Å; I122-I154 HydrophobicContact CB-CG1 3.91Å; I122-I154 HydrophobicContact CG2-CD1 4.03Å; I122-I154 HydrophobicContact CG2-CG1 3.94Å; I122-I154 CarbonylContact O-C 3.54Å; I122-I154 WeakPolarHBondContact O-CA 3.25Å; A124-I154 HydrophobicContact CB-CD1 4.43Å; A124-I154 HydrophobicContact CB-CG1 4.41Å; V135-I154 HydrophobicContact CG1-CB 4.36Å; V135-I154 HydrophobicContact CG1-CD1 3.92Å; V135-I154 HydrophobicContact CG1-CG1 3.91Å; V135-I154 HydrophobicContact CG1-CG2 3.62Å; I138-I154 HydrophobicContact CB-CD1 4.07Å; I138-I154 HydrophobicContact CG2-CD1 3.73Å; L144-I154 HydrophobicContact CD1-CB 4.11Å; L144-I154 HydrophobicContact CD1-CD1 4.05Å; L144-I154 HydrophobicContact CD1-CG2 4.47Å; W152-I154 HydrophobicContact CZ3-CG2 4.09Å
155Q98.8Very high97Very high35 Ų3555 Ų5516%0.16429%0.29CS..EExtended strand (participates in β ladder)trans-128.7122.4-174.5-17654.656.800109.8L121 I122 F123 A124 H153 G164 Q167L121-Q155 HydrophobicContact CD1-CB 4.4Å; I122-Q155 PolarHBondContact O-N 2.93Å; F123-Q155 HydrophobicContact CD1-CB 3.98Å; F123-Q155 HydrophobicContact CD1-CG 4.19Å; F123-Q155 HydrophobicContact CE1-CB 4.02Å; F123-Q155 HydrophobicContact CE1-CG 3.9Å; A124-Q155 PolarHBondContact N-O 3.27Å; H153-Q155 PolarHBondContact NE2-OE1 2.7Å; H153-Q155 VanDerWaalsContact NE2-OE1 3.15Å; Q155-G164 WeakPolarHBondContact CG-O 3.38Å; Q155-Q167 HydrophobicContact CG-CB 4.32Å
156A98.8Very high96.7Very high33 Ų3354.5 Ų54.527%0.27329%0.29SS..EExtended strand (participates in β ladder)trans-61.6134.3164.500000109.2Q127 V135 G164Q127-A156 HydrophobicContact CG-CB 3.91Å; V135-A156 HydrophobicContact CG2-CB 3.56Å; A156-G164 WeakPolarHBondContact O-CA 3.47Å
157C98.7Very high96.6Very high3 Ų355.3 Ų55.32%0.0229%0.285CS..  trans-149.8163.5174.270.40000113.8F123 A124 N125 K126 Q127 E163 L165F123-C157 HydrophobicContact CD1-CB 3.85Å; F123-C157 VanDerWaalsContact CD1-SG 3.51Å; F123-C157 HydrophobicContact CE1-CB 4.27Å; A124-C157 PolarHBondContact O-N 3.06Å; N125-C157 CarbonylContact C-O 3.58Å; N125-C157 WeakPolarHBondContact CA-O 3.42Å; N125-C157 VanDerWaalsContact CA-SG 3.56Å; N125-C157 PolarHBondContact OD1-SG 2.87Å; K126-C157 PolarHBondContact N-O 3.15Å; Q127-C157 PolarHBondContact N-O 3.28Å; C157-E163 CarbonylContact C-O 3.58Å; C157-E163 WeakPolarHBondContact CA-O 3.37Å; C157-E163 WeakPolarHBondContact CB-O 3.41Å; C157-L165 HydrophobicContact CB-CD2 3.73Å
158C97.9Very high96.6Very high3 Ų355 Ų552%0.0228%0.284CS..  trans-125.5109.7164177.20000108.6D128 L160 T161 G162 E163D128-C158 HydrophobicContact CB-CB 4.41Å; D128-C158 VanDerWaalsContact CG-SG 3.54Å; D128-C158 PolarHBondContact OD1-SG 3.37Å; C158-L160 PolarHBondContact O-N 3.17Å; C158-T161 WeakPolarHBondContact CB-OG1 3.48Å; C158-T161 PolarHBondContact O-N 3.18Å; C158-G162 WeakPolarHBondContact O-CA 3.42Å; C158-G162 PolarHBondContact O-N 3.32Å; C158-E163 PolarHBondContact N-O 3.26Å; C158-E163 PolarHBondContact O-N 3.39Å
159A96.6Very high96.5Very high3 Ų347.4 Ų47.43%0.02525%0.251CS..THydrogen-bonded Turntrans-61.3-25.4178.800000113.2T31 I32 N125T31-A159 HydrophobicContact CG2-CB 3.73Å; I32-A159 HydrophobicContact CD1-CB 4.44Å; I32-A159 HydrophobicContact CG1-CB 3.57Å; N125-A159 WeakPolarHBondContact OD1-CB 3.42Å; N125-A159 PolarHBondContact OD1-N 2.87Å
160L94.6Very high96.4Very high98 Ų9847.5 Ų47.551%0.51325%0.248SC..THydrogen-bonded Turntrans-78.2-26.2179.5-57.7177.3000113T31 V41 C158T31-L160 HydrophobicContact CG2-CD2 4.12Å; V41-L160 HydrophobicContact CG1-CD2 3.58Å; V41-L160 WeakPolarHBondContact CG2-O 3.48Å; C158-L160 PolarHBondContact O-N 3.17Å
161T94.1Very high96.3Very high90 Ų9048.1 Ų48.155%0.55225%0.25SS*.THydrogen-bonded Turntrans-106.7-14.2179.1650000112.5C158 E163C158-T161 WeakPolarHBondContact CB-OG1 3.48Å; C158-T161 PolarHBondContact O-N 3.18Å; T161-E163 PolarHBondContact O-N 3.16Å; T161-E163 WeakPolarHBondContact OG1-CB 3.4Å; T161-E163 PolarHBondContact OG1-N 3.24Å
162G94.4Very high96.3Very high16 Ų1643.2 Ų43.217%0.16523%0.227CC..  trans77.6-2.5-170.700000114C158 G164 L165C158-G162 WeakPolarHBondContact O-CA 3.42Å; C158-G162 PolarHBondContact O-N 3.32Å; G162-G164 PolarHBondContact O-N 3.44Å; G162-L165 WeakPolarHBondContact O-CB 3.42Å; G162-L165 PolarHBondContact O-N 2.85Å
163E96.6Very high95.9Very high145 Ų14540.5 Ų40.568%0.67822%0.218SC*.THydrogen-bonded Turntrans-59.1133.6178.7-172178.7177.200110.6C157 C158 T161 L165C157-E163 CarbonylContact C-O 3.58Å; C157-E163 WeakPolarHBondContact CA-O 3.37Å; C157-E163 WeakPolarHBondContact CB-O 3.41Å; C158-E163 PolarHBondContact N-O 3.26Å; C158-E163 PolarHBondContact O-N 3.39Å; T161-E163 PolarHBondContact O-N 3.16Å; T161-E163 WeakPolarHBondContact OG1-CB 3.4Å; T161-E163 PolarHBondContact OG1-N 3.24Å; E163-L165 PolarHBondContact O-N 3.09Å
164G97.3Very high95.7Very high3 Ų340 Ų403%0.03122%0.22CC..THydrogen-bonded Turntrans84.5-19.1179.700000115Q155 A156 G162 Q167 G168Q155-G164 WeakPolarHBondContact CG-O 3.38Å; A156-G164 WeakPolarHBondContact O-CA 3.47Å; G162-G164 PolarHBondContact O-N 3.44Å; G164-Q167 PolarHBondContact O-N 2.84Å; G164-Q167 PolarHBondContact O-OE1 2.85Å; G164-G168 PolarHBondContact O-N 2.93Å
165L95.6Very high95.4Very high4 Ų442.8 Ų42.82%0.02123%0.23CC..Hα-helixtrans-69.7-41-174.5-60.8-170.8000112.3I32 Q35 F36 F123 C157 G162 E163 Q167 G168 L169I32-L165 HydrophobicContact CD1-CD2 4.21Å; I32-L165 HydrophobicContact CG1-CD2 4.02Å; I32-L165 HydrophobicContact CG2-CD1 4.45Å; I32-L165 HydrophobicContact CG2-CD2 4.18Å; Q35-L165 HydrophobicContact CB-CD1 3.75Å; Q35-L165 HydrophobicContact CG-CD1 3.54Å; F36-L165 HydrophobicContact CD1-CB 4.48Å; F36-L165 HydrophobicContact CE1-CB 3.61Å; F36-L165 HydrophobicContact CE1-CD1 4.3Å; F36-L165 HydrophobicContact CE1-CG 4.47Å; F36-L165 HydrophobicContact CZ-CB 4.05Å; F123-L165 HydrophobicContact CD1-CD2 4.13Å; F123-L165 HydrophobicContact CD2-CD2 4.49Å; F123-L165 HydrophobicContact CE1-CD2 3.77Å; F123-L165 HydrophobicContact CE2-CD2 4.15Å; F123-L165 HydrophobicContact CG-CD2 4.49Å; F123-L165 HydrophobicContact CZ-CD2 3.78Å; C157-L165 HydrophobicContact CB-CD2 3.73Å; G162-L165 WeakPolarHBondContact O-CB 3.42Å; G162-L165 PolarHBondContact O-N 2.85Å; E163-L165 PolarHBondContact O-N 3.09Å; L165-Q167 VanDerWaalsContact C-N 3.33Å; L165-Q167 PolarHBondContact O-N 2.93Å; L165-G168 PolarHBondContact O-N 3.13Å; L165-L169 PolarHBondContact O-N 2.89Å; L165-L169 VanDerWaalsContact O-N 3.08Å
166C92.4Very high94.8Very high80 Ų8042.5 Ų42.554%0.54123%0.229SC..Hα-helixtrans-59.4-42.9176.5-65.80000111.9G168 L169 E170C166-G168 VanDerWaalsContact C-N 3.31Å; C166-G168 PolarHBondContact O-N 3.09Å; C166-L169 PolarHBondContact O-N 3.3Å; C166-E170 WeakPolarHBondContact O-CB 3.2Å; C166-E170 VanDerWaalsContact O-CG 3.31Å; C166-E170 WeakPolarHBondContact O-CG 3.5Å; C166-E170 PolarHBondContact O-N 2.84Å
167Q96Very high93.4Very high89 Ų8950.8 Ų50.842%0.41625%0.253SS..Hα-helixtrans-63.5-37.4178.9-64.585.3-13.500111.7Q155 G164 L165 E170 W171Q155-Q167 HydrophobicContact CG-CB 4.32Å; G164-Q167 PolarHBondContact O-N 2.84Å; G164-Q167 PolarHBondContact O-OE1 2.85Å; L165-Q167 VanDerWaalsContact C-N 3.33Å; L165-Q167 PolarHBondContact O-N 2.93Å; Q167-E170 PolarHBondContact O-N 3.49Å; Q167-W171 PolarHBondContact O-N 3.38Å
168G96.6Very high91.5Very high0 Ų055.7 Ų55.70%028%0.283CS..Hα-helixtrans-62.9-45.7173.300000112.4G164 L165 C166 W171 M172G164-G168 PolarHBondContact O-N 2.93Å; L165-G168 PolarHBondContact O-N 3.13Å; C166-G168 VanDerWaalsContact C-N 3.31Å; C166-G168 PolarHBondContact O-N 3.09Å; G168-W171 WeakPolarHBondContact O-CB 3.14Å; G168-W171 PolarHBondContact O-N 2.88Å; G168-M172 PolarHBondContact O-N 3.1Å; G168-M172 VanDerWaalsContact O-N 3.12Å
169L92.7Very high89.2Confident12 Ų1264.4 Ų64.46%0.06332%0.315CS..Hα-helixtrans-64.9-41.4175.7-72.6177.4000112.8F36 V57 M64 L165 C166 W171 M172 M173F36-L169 HydrophobicContact CD1-CD1 3.46Å; F36-L169 VanDerWaalsContact CD1-CD1 3.46Å; F36-L169 HydrophobicContact CD1-CG 4.18Å; F36-L169 HydrophobicContact CE1-CD1 3.15Å; F36-L169 HydrophobicContact CE1-CD2 4Å; F36-L169 HydrophobicContact CE1-CG 3.42Å; F36-L169 VanDerWaalsContact CE1-CG 3.42Å; F36-L169 HydrophobicContact CE2-CD2 4.21Å; F36-L169 HydrophobicContact CE2-CG 4.47Å; F36-L169 HydrophobicContact CG-CD1 4.37Å; F36-L169 HydrophobicContact CZ-CD1 3.86Å; F36-L169 HydrophobicContact CZ-CD2 3.81Å; F36-L169 HydrophobicContact CZ-CG 3.61Å; V57-L169 HydrophobicContact CG2-CD1 4.01Å; M64-L169 HydrophobicContact CE-CD2 3.88Å; L165-L169 PolarHBondContact O-N 2.89Å; L165-L169 VanDerWaalsContact O-N 3.08Å; C166-L169 PolarHBondContact O-N 3.3Å; L169-W171 VanDerWaalsContact C-N 3.27Å; L169-W171 PolarHBondContact O-N 2.91Å; L169-M172 HydrophobicContact CD2-SD 4.28Å; L169-M172 WeakPolarHBondContact O-CB 3.36Å; L169-M172 PolarHBondContact O-N 2.77Å; L169-M172 VanDerWaalsContact O-N 3.13Å; L169-M173 WeakPolarHBondContact O-CG 3.32Å; L169-M173 PolarHBondContact O-N 3.48Å
170E93.1Very high88.8Confident116 Ų11667.5 Ų67.554%0.54233%0.33SS..Hα-helixtrans-58.8-41.1175.4-76.6173.317800111.4C166 Q167 M173 S174C166-E170 WeakPolarHBondContact O-CB 3.2Å; C166-E170 VanDerWaalsContact O-CG 3.31Å; C166-E170 WeakPolarHBondContact O-CG 3.5Å; C166-E170 PolarHBondContact O-N 2.84Å; Q167-E170 PolarHBondContact O-N 3.49Å; E170-M173 HydrophobicContact CG-CE 4.09Å; E170-M173 PolarHBondContact O-N 2.78Å; E170-S174 WeakPolarHBondContact O-CB 3.44Å; E170-S174 PolarHBondContact O-N 2.77Å
171W96.3Very high88.5Confident25 Ų2565.9 Ų65.910%0.09532%0.32CS..Hα-helixtrans-60.3-48.4172.8177.387.5000111.4F86 L120 L121 Q151 W152 H153 Q167 G168 L169 M173 S174 R175F86-W171 HydrophobicContact CD1-CZ3 4.21Å; F86-W171 HydrophobicContact CE1-CZ3 4.32Å; L120-W171 WeakPolarHBondContact O-CH2 3.45Å; L121-W171 HydrophobicContact CB-CE3 4.2Å; L121-W171 HydrophobicContact CB-CZ3 3.91Å; L121-W171 HydrophobicContact CD1-CE3 4.16Å; Q151-W171 HydrophobicContact CB-CZ2 4.45Å; W152-W171 VanDerWaalsContact C-CZ2 3.43Å; H153-W171 HydrophobicContact CB-CD2 3.44Å; H153-W171 VanDerWaalsContact CB-CD2 3.44Å; H153-W171 HydrophobicContact CB-CE3 4.02Å; H153-W171 HydrophobicContact CB-CG 3.65Å; H153-W171 HydrophobicContact CB-CH2 4.38Å; H153-W171 HydrophobicContact CB-CZ2 3.86Å; H153-W171 HydrophobicContact CB-CZ3 4.46Å; H153-W171 AromaticContact CG-CD1 3.81Å; H153-W171 AromaticContact CG-CG 3.86Å; Q167-W171 PolarHBondContact O-N 3.38Å; G168-W171 WeakPolarHBondContact O-CB 3.14Å; G168-W171 PolarHBondContact O-N 2.88Å; L169-W171 VanDerWaalsContact C-N 3.27Å; L169-W171 PolarHBondContact O-N 2.91Å; W171-M173 PolarHBondContact O-N 3.42Å; W171-S174 WeakPolarHBondContact O-CB 3.33Å; W171-S174 PolarHBondContact O-N 2.81Å; W171-S174 VanDerWaalsContact O-N 3.13Å; W171-S174 PolarHBondContact O-OG 3.07Å; W171-R175 HydrophobicContact CD2-CG 4.26Å; W171-R175 HydrophobicContact CH2-CG 4.28Å; W171-R175 HydrophobicContact CZ2-CG 3.93Å; W171-R175 WeakPolarHBondContact O-CG 3.49Å; W171-R175 PolarHBondContact O-N 2.89Å
172M95.3Very high88.2Confident0 Ų064.6 Ų64.60%031%0.307CS..Hα-helixtrans-57.7-48.7177.4-68.2171.557.600111.6V19 F62 F86 I88 L121 G168 L169 S174 R175 L176V19-M172 HydrophobicContact CG1-CE 4.06Å; V19-M172 HydrophobicContact CG2-CE 3.7Å; F62-M172 HydrophobicContact CD1-CE 4.14Å; F62-M172 HydrophobicContact CE1-CE 3.96Å; F86-M172 HydrophobicContact CB-CE 3.74Å; F86-M172 HydrophobicContact CD1-CB 4.38Å; F86-M172 HydrophobicContact CD1-CE 4.46Å; F86-M172 HydrophobicContact CD1-CG 4.04Å; F86-M172 HydrophobicContact CD2-CE 3.78Å; F86-M172 HydrophobicContact CE1-CB 4.19Å; F86-M172 HydrophobicContact CE1-CG 4.29Å; F86-M172 HydrophobicContact CE2-CB 4.38Å; F86-M172 HydrophobicContact CG-CE 3.74Å; F86-M172 HydrophobicContact CG-CG 4.27Å; F86-M172 HydrophobicContact CZ-CB 4.19Å; F86-M172 VanDerWaalsContact CZ-O 3.3Å; F86-M172 WeakPolarHBondContact CZ-O 3.49Å; I88-M172 HydrophobicContact CD1-CE 4.35Å; I88-M172 HydrophobicContact CD1-SD 3.92Å; I88-M172 HydrophobicContact CG1-SD 4.22Å; L121-M172 HydrophobicContact CD2-CG 4.07Å; L121-M172 HydrophobicContact CD2-SD 3.67Å; G168-M172 PolarHBondContact O-N 3.1Å; G168-M172 VanDerWaalsContact O-N 3.12Å; L169-M172 HydrophobicContact CD2-SD 4.28Å; L169-M172 WeakPolarHBondContact O-CB 3.36Å; L169-M172 PolarHBondContact O-N 2.77Å; L169-M172 VanDerWaalsContact O-N 3.13Å; M172-S174 VanDerWaalsContact C-N 3.26Å; M172-S174 PolarHBondContact O-N 3.48Å; M172-R175 PolarHBondContact O-N 3.14Å; M172-L176 PolarHBondContact O-N 3.43Å
173M92Very high87.9Confident21 Ų2167.4 Ų67.410%0.10332%0.316CS..Hα-helixtrans-58.5-37.8176.4-72.2-167.4-69.200112.4V57 N58 F62 L169 E170 W171 R175 L176 R177V57-M173 HydrophobicContact CB-SD 4.17Å; V57-M173 HydrophobicContact CG1-CE 3.74Å; V57-M173 HydrophobicContact CG1-SD 3.61Å; N58-M173 HydrophobicContact CB-SD 4.45Å; F62-M173 HydrophobicContact CE2-CG 4.37Å; F62-M173 HydrophobicContact CZ-CG 4.12Å; L169-M173 WeakPolarHBondContact O-CG 3.32Å; L169-M173 PolarHBondContact O-N 3.48Å; E170-M173 HydrophobicContact CG-CE 4.09Å; E170-M173 PolarHBondContact O-N 2.78Å; W171-M173 PolarHBondContact O-N 3.42Å; M173-R175 PolarHBondContact O-N 3.41Å; M173-L176 PolarHBondContact O-N 3.1Å; M173-R177 PolarHBondContact O-N 3.49Å
174S92.8Very high87.3Confident43 Ų4362.6 Ų62.630%0.30129%0.293SS..Hα-helixtrans-63.8-29.5177.180.60000112.8E170 W171 M172 V178E170-S174 WeakPolarHBondContact O-CB 3.44Å; E170-S174 PolarHBondContact O-N 2.77Å; W171-S174 WeakPolarHBondContact O-CB 3.33Å; W171-S174 PolarHBondContact O-N 2.81Å; W171-S174 VanDerWaalsContact O-N 3.13Å; W171-S174 PolarHBondContact O-OG 3.07Å; M172-S174 VanDerWaalsContact C-N 3.26Å; M172-S174 PolarHBondContact O-N 3.48Å; S174-V178 WeakPolarHBondContact O-CG2 3.22Å
175R93.1Very high86.7Confident79 Ų7966.5 Ų66.530%0.29831%0.311SS..Hα-helixtrans-79.1-31.6178.4-56.7-58.4129.6-170.22.3112.5F86 W171 M172 M173 R177 V178F86-R175 HydrophobicContact CE1-CB 3.87Å; F86-R175 HydrophobicContact CE1-CG 4.25Å; F86-R175 HydrophobicContact CZ-CB 3.91Å; W171-R175 HydrophobicContact CD2-CG 4.26Å; W171-R175 HydrophobicContact CH2-CG 4.28Å; W171-R175 HydrophobicContact CZ2-CG 3.93Å; W171-R175 WeakPolarHBondContact O-CG 3.49Å; W171-R175 PolarHBondContact O-N 2.89Å; M172-R175 PolarHBondContact O-N 3.14Å; M173-R175 PolarHBondContact O-N 3.41Å; R175-R177 VanDerWaalsContact C-N 3.29Å; R175-R177 PolarHBondContact O-N 3.1Å; R175-V178 PolarHBondContact O-N 3.04Å
176L86.5Confident86Confident29 Ų2971 Ų7115%0.15233%0.331CS..Hα-helixtrans-62.3-36.8174.7-70.3177.5000112.3H17 T60 F62 F86 M172 M173 V178 R179H17-L176 VanDerWaalsContact CE1-CD2 3.48Å; H17-L176 WeakPolarHBondContact CE1-CD2 3.29Å; H17-L176 WeakPolarHBondContact ND1-CD2 3.24Å; T60-L176 HydrophobicContact CG2-CD1 3.89Å; F62-L176 HydrophobicContact CE1-CD1 3.91Å; F62-L176 HydrophobicContact CZ-CD1 3.89Å; F86-L176 HydrophobicContact CE2-CD1 4.31Å; F86-L176 HydrophobicContact CE2-CD2 3.58Å; F86-L176 HydrophobicContact CE2-CG 3.78Å; F86-L176 HydrophobicContact CZ-CD2 3.96Å; F86-L176 HydrophobicContact CZ-CG 3.95Å; M172-L176 PolarHBondContact O-N 3.43Å; M173-L176 PolarHBondContact O-N 3.1Å; L176-V178 PolarHBondContact O-N 3Å; L176-R179 PolarHBondContact O-N 3.5Å
177R68.6Low85.5Confident207 Ų20770.3 Ų70.378%0.78132%0.315SS*.THydrogen-bonded Turntrans-72.6-13.8-179.8-65.6-179.9-177.7-176.71.6114.5M173 R175M173-R177 PolarHBondContact O-N 3.49Å; R175-R177 VanDerWaalsContact C-N 3.29Å; R175-R177 PolarHBondContact O-N 3.1Å
178V59.5Low84.7Confident106 Ų10668.8 Ų68.864%0.64231%0.307SS*.THydrogen-bonded Turntrans-97.4-2.4-176.6-1800000111.6S174 R175 L176S174-V178 WeakPolarHBondContact O-CG2 3.22Å; R175-V178 PolarHBondContact O-N 3.04Å; L176-V178 PolarHBondContact O-N 3Å
179R49.8Very low83.6Confident187 Ų18775 Ų7571%0.70634%0.335SS*.  trans-87.20175.7-74.4-175.7171.8176.1-1.3113E85 K117 L176E85-R179 IonicContact OE2-CZ 3.77Å; E85-R179 IonicContact OE2-NH1 2.68Å; E85-R179 PolarHBondContact OE2-NH1 2.67Å; K117-R179 PolarHBondContact O-NH2 3.42Å; L176-R179 PolarHBondContact O-N 3.5Å

Retrieved 179 of 179 residues in 178.4 ms (Link to these results)

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