A0A060XVX9_ONCMY Loading...

ADP-ribosylation factor-like 5A

AlphaFold DB , UniProt , Accession A0A060XVX9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110501814, 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
1M45.7Very low48.1Very low236 Ų236136.7 Ų136.7100%1.16366%0.661SS**  064.30-68.2-69.2-83.800109.9
2G42.8Very low48Very low38 Ų38138.2 Ų138.239%0.39266%0.662SS.*  cis146.812211.600000104.6I4 F5G2-I4 CarbonylContact O-C 3.6Å; G2-I4 PolarHBondContact O-N 3.39Å; G2-F5 WeakPolarHBondContact O-CB 3.44Å; G2-F5 PolarHBondContact O-N 3.38Å
3I53.6Low48Very low136 Ų136134.1 Ų134.170%0.69765%0.646SS**Hα-helixtrans-49.1-23.6-175.8-65.6159.9000113T6 K7I3-T6 PolarHBondContact O-N 3.38Å; I3-K7 WeakPolarHBondContact O-CG 3.35Å; I3-K7 PolarHBondContact O-N 3.48Å
4I53.4Low48.8Very low137 Ų137131.8 Ų131.870%0.70363%0.633SS**Hα-helixtrans-65.4-42.3172.8-61.8169.9000112G2 T6 K7 L8G2-I4 CarbonylContact O-C 3.6Å; G2-I4 PolarHBondContact O-N 3.39Å; I4-T6 VanDerWaalsContact C-N 3.34Å; I4-K7 PolarHBondContact O-N 3.34Å; I4-L8 WeakPolarHBondContact O-CB 3.17Å; I4-L8 PolarHBondContact O-N 2.82Å
5F46.5Very low50.4Low138 Ų138133.3 Ų133.361%0.60564%0.639SS**Hα-helixtrans-65.6-38.5176.1-155.4-94.3000110.8G2 L8 W9G2-F5 WeakPolarHBondContact O-CB 3.44Å; G2-F5 PolarHBondContact O-N 3.38Å; F5-L8 PolarHBondContact O-N 2.75Å; F5-W9 VanDerWaalsContact O-CB 3.26Å; F5-W9 WeakPolarHBondContact O-CB 3.36Å; F5-W9 PolarHBondContact O-N 3.12Å
6T51.6Low52.6Low90 Ų90132.4 Ų132.455%0.55263%0.634SS**Hα-helixtrans-68.1-35.1175.8-23.80000112.6I3 I4 R10I3-T6 PolarHBondContact O-N 3.38Å; I4-T6 VanDerWaalsContact C-N 3.34Å; T6-R10 WeakPolarHBondContact O-CB 3.49Å; T6-R10 PolarHBondContact O-N 2.92Å
7K48.4Very low54.9Low143 Ų143125.8 Ų125.862%0.62260%0.602SS**Hα-helixtrans-70.6-39.9171.9-78.9-176.4175-174.20112.2I3 I4 R10 L11I3-K7 WeakPolarHBondContact O-CG 3.35Å; I3-K7 PolarHBondContact O-N 3.48Å; I4-K7 PolarHBondContact O-N 3.34Å; K7-R10 PolarHBondContact O-N 3.21Å; K7-L11 WeakPolarHBondContact O-CD1 3.3Å; K7-L11 WeakPolarHBondContact O-CG 3.09Å; K7-L11 PolarHBondContact O-N 3.29Å
8L46.5Very low57.2Low88 Ų88121.4 Ų121.446%0.46158%0.58SS.*Hα-helixtrans-66.5-41.7175.3-140.878000110.7I4 F5 R10 L11 F12I4-L8 WeakPolarHBondContact O-CB 3.17Å; I4-L8 PolarHBondContact O-N 2.82Å; F5-L8 PolarHBondContact O-N 2.75Å; L8-R10 PolarHBondContact O-N 3.25Å; L8-L11 CarbonylContact O-C 3.57Å; L8-L11 WeakPolarHBondContact O-CA 3.33Å; L8-L11 WeakPolarHBondContact O-CB 3.49Å; L8-L11 PolarHBondContact O-N 2.77Å; L8-F12 HydrophobicContact CG-CD2 4.45Å; L8-F12 HydrophobicContact CG-CE2 4.25Å; L8-F12 WeakPolarHBondContact O-CD2 3.37Å; L8-F12 PolarHBondContact O-N 3.17Å
9W46.5Very low59.3Low154 Ų154115.1 Ų115.158%0.58355%0.55SS*.Hα-helixtrans-68-33.6176.2-137.371.6000112.2F5 L11 F12 N13F5-W9 VanDerWaalsContact O-CB 3.26Å; F5-W9 WeakPolarHBondContact O-CB 3.36Å; F5-W9 PolarHBondContact O-N 3.12Å; W9-L11 VanDerWaalsContact C-N 3.29Å; W9-L11 PolarHBondContact O-N 3.43Å; W9-F12 PolarHBondContact O-N 3.26Å; W9-N13 WeakPolarHBondContact CZ3-ND2 3.41Å; W9-N13 WeakPolarHBondContact O-CB 3.45Å; W9-N13 PolarHBondContact O-N 2.87Å
10R47Very low61.2Low214 Ų214109.3 Ų109.381%0.80852%0.522SS*.Hα-helixtrans-66.4-26.8167.2-94.3-177.7165.4177.8-4.3113.9T6 K7 L8 F12T6-R10 WeakPolarHBondContact O-CB 3.49Å; T6-R10 PolarHBondContact O-N 2.92Å; K7-R10 PolarHBondContact O-N 3.21Å; L8-R10 PolarHBondContact O-N 3.25Å; R10-F12 VanDerWaalsContact C-N 3.34Å
11L46.9Very low63Low130 Ų130104.1 Ų104.168%0.68150%0.497SS*.Hα-helixtrans-78.6-19.5172.9-76.7157.9000112.3K7 L8 W9K7-L11 WeakPolarHBondContact O-CD1 3.3Å; K7-L11 WeakPolarHBondContact O-CG 3.09Å; K7-L11 PolarHBondContact O-N 3.29Å; L8-L11 CarbonylContact O-C 3.57Å; L8-L11 WeakPolarHBondContact O-CA 3.33Å; L8-L11 WeakPolarHBondContact O-CB 3.49Å; L8-L11 PolarHBondContact O-N 2.77Å; W9-L11 VanDerWaalsContact C-N 3.29Å; W9-L11 PolarHBondContact O-N 3.43Å
12F47.4Very low65.5Low154 Ų15492.9 Ų92.968%0.67544%0.442SS*.Hα-helixtrans-102.2-22.2178.2-80.9-74.4000114.3L8 W9 R10 H14L8-F12 HydrophobicContact CG-CD2 4.45Å; L8-F12 HydrophobicContact CG-CE2 4.25Å; L8-F12 WeakPolarHBondContact O-CD2 3.37Å; L8-F12 PolarHBondContact O-N 3.17Å; W9-F12 PolarHBondContact O-N 3.26Å; R10-F12 VanDerWaalsContact C-N 3.34Å; F12-H14 PolarHBondContact O-N 2.8Å
13N48Very low68.1Low85 Ų8591.1 Ų91.146%0.45542%0.424SS..  trans-80.494.9169-87.26.4000109.4W9 Q15W9-N13 WeakPolarHBondContact CZ3-ND2 3.41Å; W9-N13 WeakPolarHBondContact O-CB 3.45Å; W9-N13 PolarHBondContact O-N 2.87Å; N13-Q15 PolarHBondContact O-N 3.14Å; N13-Q15 VanDerWaalsContact O-N 3.15Å
14H58.5Low70.2Confident102 Ų10285 Ų8547%0.47239%0.393SS..  trans-63.7116159.5-6661.9000105.7F12 E16 H61F12-H14 PolarHBondContact O-N 2.8Å; H14-E16 PolarHBondContact O-N 3.45Å; H14-E16 VanDerWaalsContact O-N 3.11Å; H14-H61 AromaticContact CD2-CD2 3.43Å; H14-H61 PolarHBondContact CD2-CD2 2.85Å; H14-H61 VanDerWaalsContact CD2-CD2 3.43Å; H14-H61 AromaticContact CD2-CE1 3.93Å; H14-H61 AromaticContact CD2-NE2 3.08Å; H14-H61 PolarHBondContact CD2-NE2 2.96Å; H14-H61 AromaticContact CG-CD2 3.96Å; H14-H61 AromaticContact CG-NE2 3.8Å; H14-H61 AromaticContact NE2-NE2 3.93Å
15Q73.9Confident72.1Confident155 Ų15580.1 Ų80.172%0.72437%0.368SS*.  trans-66.9112.3172.3-91.2-176.4-4600107.2N13 H17N13-Q15 PolarHBondContact O-N 3.14Å; N13-Q15 VanDerWaalsContact O-N 3.15Å; Q15-H17 PolarHBondContact O-CD2 3.21Å; Q15-H17 VanDerWaalsContact O-CD2 3.3Å; Q15-H17 PolarHBondContact O-NE2 2.89Å
16E84.4Confident74.3Confident119 Ų11978.2 Ų78.256%0.55636%0.364SS*.EExtended strand (participates in β ladder)trans-76.7126.3172.1-67.4172.118000108.9H14 L63H14-E16 PolarHBondContact O-N 3.45Å; H14-E16 VanDerWaalsContact O-N 3.11Å; E16-L63 HydrophobicContact CB-CD1 4.11Å; E16-L63 HydrophobicContact CB-CG 4.3Å; E16-L63 HydrophobicContact CG-CD1 4.34Å; E16-L63 HydrophobicContact CG-CG 4.5Å; E16-L63 WeakPolarHBondContact OE2-CD1 3.42Å
17H92.3Very high76.5Confident20 Ų2074 Ų749%0.09334%0.339CS..EExtended strand (participates in β ladder)trans-100.8115.3178.7-63.8-71.5000109.6Q15 V19 T60 H61 F62 L63 E85 L176Q15-H17 PolarHBondContact O-CD2 3.21Å; Q15-H17 VanDerWaalsContact O-CD2 3.3Å; Q15-H17 PolarHBondContact O-NE2 2.89Å; H17-V19 PolarHBondContact O-N 3.03Å; H17-T60 VanDerWaalsContact CD2-CG2 3.41Å; H17-T60 WeakPolarHBondContact CD2-CG2 3.28Å; H17-H61 PolarHBondContact N-O 2.84Å; H17-F62 HydrophobicContact CB-CD1 3.72Å; H17-F62 HydrophobicContact CB-CE1 3.99Å; H17-F62 WeakPolarHBondContact O-CA 3.34Å; H17-L63 PolarHBondContact O-N 2.88Å; H17-E85 WeakPolarHBondContact CA-OE1 3.3Å; H17-E85 IonicContact CE1-OE1 3.55Å; H17-E85 IonicContact CG-OE1 3.7Å; H17-E85 VanDerWaalsContact ND1-CD 3.33Å; H17-E85 IonicContact ND1-OE1 2.67Å; H17-E85 PolarHBondContact ND1-OE1 3.16Å; H17-E85 IonicContact ND1-OE2 2.65Å; H17-E85 PolarHBondContact ND1-OE2 2.76Å; H17-L176 VanDerWaalsContact CE1-CD2 3.49Å; H17-L176 WeakPolarHBondContact CE1-CD2 3.4Å; H17-L176 WeakPolarHBondContact ND1-CD2 3.15Å
18K95.7Very high78.8Confident47 Ų4767.8 Ų67.820%0.20432%0.315CS..EExtended strand (participates in β ladder)trans-76.1127.1179.1-178.6176.9172.8-176.90110.7Y80 T82 E85 F86K18-Y80 WeakPolarHBondContact CE-O 3.36Å; K18-Y80 PolarHBondContact NZ-O 3.21Å; K18-T82 PolarHBondContact NZ-O 3.39Å; K18-E85 PolarHBondContact O-N 3.23Å; K18-F86 PolarHBondContact O-N 3.13Å
19V97.6Very high81.2Confident0 Ų064.1 Ų64.10%030%0.296CS..EExtended strand (participates in β ladder)trans-127.2137.7178.9-176.10000109H17 F62 L63 M64 W65 F86 I88 M172H17-V19 PolarHBondContact O-N 3.03Å; V19-F62 HydrophobicContact CG2-CB 4.21Å; V19-F62 HydrophobicContact CG2-CD1 3.63Å; V19-F62 HydrophobicContact CG2-CE1 4.49Å; V19-F62 HydrophobicContact CG2-CG 4.34Å; V19-L63 PolarHBondContact N-O 2.85Å; V19-M64 HydrophobicContact CB-CG 4.05Å; V19-M64 HydrophobicContact CG1-CG 4.41Å; V19-M64 HydrophobicContact CG2-CG 4.47Å; V19-M64 WeakPolarHBondContact O-CA 3.36Å; V19-W65 PolarHBondContact O-N 3.19Å; V19-F86 WeakPolarHBondContact CA-O 3.43Å; V19-F86 HydrophobicContact CG1-CB 4.26Å; V19-F86 HydrophobicContact CG2-CB 4.26Å; V19-F86 HydrophobicContact CG2-CD2 4.45Å; V19-I88 HydrophobicContact CG1-CD1 3.71Å; V19-I88 HydrophobicContact CG1-CG1 3.74Å; V19-M172 HydrophobicContact CG1-CE 4.01Å; V19-M172 HydrophobicContact CG2-CE 3.66Å
20I98.1Very high83.4Confident0 Ų057.5 Ų57.50%027%0.272CS..EExtended strand (participates in β ladder)trans-109.4136.3168.368.2-178.2000109.8V22 W65 I67 Y81 T84 F86 V87 I88 M109 L115I20-V22 HydrophobicContact CD1-CG1 4.48Å; I20-W65 HydrophobicContact CG2-CB 4.33Å; I20-I67 HydrophobicContact CB-CD1 4.02Å; I20-I67 HydrophobicContact CG2-CD1 4.25Å; I20-Y81 HydrophobicContact CD1-CD1 3.68Å; I20-Y81 HydrophobicContact CD1-CE1 3.9Å; I20-T84 HydrophobicContact CB-CG2 4.47Å; I20-T84 HydrophobicContact CD1-CG2 4.15Å; I20-T84 HydrophobicContact CG1-CG2 3.91Å; I20-T84 HydrophobicContact CG2-CG2 4.09Å; I20-F86 PolarHBondContact N-O 2.91Å; I20-F86 VanDerWaalsContact N-O 3.08Å; I20-V87 HydrophobicContact CD1-CG1 4.27Å; I20-V87 HydrophobicContact CD1-CG2 3.94Å; I20-V87 HydrophobicContact CG1-CB 4.24Å; I20-V87 HydrophobicContact CG1-CG1 4.04Å; I20-V87 HydrophobicContact CG1-CG2 3.97Å; I20-I88 PolarHBondContact O-N 3.45Å; I20-M109 HydrophobicContact CD1-CE 3.78Å; I20-L115 HydrophobicContact CD1-CD2 4.45Å
21I98.2Very high85.7Confident0 Ų048 Ų480%024%0.238CC..EExtended strand (participates in β ladder)trans-108.3117173.3-47.7-177.3000107.7K29 L33 M64 W65 I67 I88 V90I21-K29 HydrophobicContact CG2-CB 3.81Å; I21-K29 HydrophobicContact CG2-CD 4.34Å; I21-K29 HydrophobicContact CG2-CG 4Å; I21-L33 HydrophobicContact CD1-CB 4.3Å; I21-L33 HydrophobicContact CD1-CD1 3.96Å; I21-M64 HydrophobicContact CD1-CB 4.19Å; I21-M64 HydrophobicContact CD1-SD 4.07Å; I21-W65 PolarHBondContact N-O 2.87Å; I21-I67 PolarHBondContact O-N 3.11Å; I21-I67 VanDerWaalsContact O-N 3.07Å; I21-I88 WeakPolarHBondContact CA-O 3.32Å; I21-I88 HydrophobicContact CG1-CB 4.27Å; I21-I88 HydrophobicContact CG1-CD1 4.28Å; I21-I88 HydrophobicContact CG2-CB 4.37Å; I21-I88 HydrophobicContact CG2-CG2 4.26Å; I21-V90 HydrophobicContact CG2-CG2 3.69Å
22V97.9Very high88Confident0 Ų041.9 Ų41.90%021%0.206CC..EExtended strand (participates in β ladder)trans-134.7168.4-174.2-73.80000110.4I20 I67 W77 V87 I88 I89 V90 M109I20-V22 HydrophobicContact CD1-CG1 4.48Å; V22-I67 HydrophobicContact CG1-CB 4.27Å; V22-I67 HydrophobicContact CG1-CD1 3.83Å; V22-I67 HydrophobicContact CG1-CG1 4.45Å; V22-W77 HydrophobicContact CB-CD2 4.4Å; V22-W77 HydrophobicContact CB-CE3 4.22Å; V22-W77 HydrophobicContact CB-CH2 4.19Å; V22-W77 HydrophobicContact CB-CZ2 4.36Å; V22-W77 HydrophobicContact CB-CZ3 4.1Å; V22-W77 HydrophobicContact CG1-CD2 3.97Å; V22-W77 HydrophobicContact CG1-CE3 4.12Å; V22-W77 HydrophobicContact CG1-CG 4.31Å; V22-W77 HydrophobicContact CG1-CZ3 4.5Å; V22-V87 HydrophobicContact CG2-CG1 3.68Å; V22-I88 WeakPolarHBondContact CG2-O 3.44Å; V22-I88 PolarHBondContact N-O 3.36Å; V22-I89 HydrophobicContact CB-CD1 4.46Å; V22-I89 HydrophobicContact CG2-CD1 3.39Å; V22-I89 HydrophobicContact CG2-CG1 4.2Å; V22-I89 WeakPolarHBondContact O-CA 3.26Å; V22-V90 PolarHBondContact O-N 3.44Å; V22-M109 HydrophobicContact CB-SD 4.35Å; V22-M109 HydrophobicContact CG1-CE 4.35Å; V22-M109 HydrophobicContact CG2-CE 3.72Å; V22-M109 HydrophobicContact CG2-SD 3.84Å
23G97.4Very high90.2Very high2 Ų234.5 Ų34.52%0.02117%0.174CC..  trans137164.3-170.900000110.9K29 G69G23-K29 WeakPolarHBondContact O-CE 3.34Å; G23-K29 PolarHBondContact O-NZ 3.49Å; G23-G69 WeakPolarHBondContact O-CA 3.28Å
24L97.1Very high92.2Very high8 Ų832.9 Ų32.94%0.04216%0.162CC..SBendtrans-61.7162-175.1-49.9-174.7000111.9A27 K29 R74 R98 V101 T102L24-A27 VanDerWaalsContact O-CB 3.28Å; L24-A27 WeakPolarHBondContact O-CB 3.27Å; L24-A27 PolarHBondContact O-N 3.06Å; L24-K29 PolarHBondContact O-NZ 3.35Å; L24-R74 VanDerWaalsContact CD2-CZ 3.45Å; L24-R98 HydrophobicContact CD1-CB 3.54Å; L24-V101 HydrophobicContact CD1-CB 4.31Å; L24-V101 HydrophobicContact CD2-CG1 3.95Å; L24-T102 WeakPolarHBondContact CD1-OG1 3.33Å; L24-T102 WeakPolarHBondContact CG-OG1 3.42Å
25D93.8Very high93.8Very high34 Ų3428.7 Ų28.718%0.18214%0.142CC..THydrogen-bonded Turntrans-51.3144.216752.6-79.1000110.9A27 G69 Q70 R74 R98D25-A27 PolarHBondContact O-N 2.89Å; D25-A27 VanDerWaalsContact O-N 3.09Å; D25-G69 PolarHBondContact N-O 3.02Å; D25-G69 VanDerWaalsContact N-O 3.17Å; D25-Q70 HydrophobicContact CB-CG 4.18Å; D25-R74 IonicContact OD1-NH2 3.7Å; D25-R74 PolarHBondContact OD1-NH2 3.37Å; D25-R98 PolarHBondContact O-NH2 3.09Å; D25-R98 IonicContact OD1-NH1 2.77Å; D25-R98 PolarHBondContact OD1-NH1 2.85Å; D25-R98 IonicContact OD2-CZ 3.55Å; D25-R98 IonicContact OD2-NH1 3.81Å; D25-R98 PolarHBondContact OD2-NH1 3.14Å; D25-R98 IonicContact OD2-NH2 3.29Å
26N93.8Very high94.3Very high98 Ų9823 Ų2352%0.52412%0.115SC..THydrogen-bonded Turntrans62.96.6-178.1-57.4-9.7000116.6G28 K126N26-G28 PolarHBondContact O-N 3.37Å; N26-K126 VanDerWaalsContact O-CE 3.28Å; N26-K126 WeakPolarHBondContact O-CE 3.43Å; N26-K126 PolarHBondContact O-NZ 2.83Å
27A97.3Very high94.1Very high1 Ų119.6 Ų19.61%0.00810%0.104CC..SBendtrans-66.3-19.2175.600000114.4L24 D25 V90 D92 N125L24-A27 VanDerWaalsContact O-CB 3.28Å; L24-A27 WeakPolarHBondContact O-CB 3.27Å; L24-A27 PolarHBondContact O-N 3.06Å; D25-A27 PolarHBondContact O-N 2.89Å; D25-A27 VanDerWaalsContact O-N 3.09Å; A27-V90 HydrophobicContact CB-CB 4.31Å; A27-V90 HydrophobicContact CB-CG1 4.08Å; A27-V90 WeakPolarHBondContact CB-O 3.29Å; A27-V90 VanDerWaalsContact O-CG1 3.3Å; A27-V90 WeakPolarHBondContact O-CG1 3.44Å; A27-D92 HydrophobicContact CB-CB 4.46Å; A27-N125 PolarHBondContact O-ND2 2.88Å
28G96.6Very high93.3Very high13 Ų1323.3 Ų23.313%0.13412%0.123CC..SBendtrans100.621178.400000115.3N26 T31 I32N26-G28 PolarHBondContact O-N 3.37Å; G28-T31 PolarHBondContact O-N 3.02Å; G28-I32 WeakPolarHBondContact O-CG1 3.37Å; G28-I32 PolarHBondContact O-N 2.87Å
29K96.6Very high92.1Very high11 Ų1127.3 Ų27.35%0.04815%0.147CC..Hα-helixtrans-55.5-53.9179.9-59.4-176.7-62.4-67.70113.4I21 G23 L24 T31 I32 L33 D66 I67 V90I21-K29 HydrophobicContact CG2-CB 3.81Å; I21-K29 HydrophobicContact CG2-CD 4.34Å; I21-K29 HydrophobicContact CG2-CG 4Å; G23-K29 WeakPolarHBondContact O-CE 3.34Å; G23-K29 PolarHBondContact O-NZ 3.49Å; L24-K29 PolarHBondContact O-NZ 3.35Å; K29-T31 VanDerWaalsContact C-N 3.32Å; K29-T31 PolarHBondContact O-N 3.19Å; K29-I32 WeakPolarHBondContact O-CB 3.49Å; K29-I32 PolarHBondContact O-N 2.72Å; K29-L33 PolarHBondContact O-N 2.93Å; K29-D66 WeakPolarHBondContact CB-OD1 3.13Å; K29-I67 WeakPolarHBondContact CE-O 3.5Å; K29-V90 HydrophobicContact CB-CG2 4.4Å; K29-V90 HydrophobicContact CG-CB 3.81Å; K29-V90 HydrophobicContact CG-CG2 3.81Å
30T94Very high90.1Very high14 Ų1433.6 Ų33.69%0.08618%0.176CC..Hα-helixtrans-65-36.6179.9-38.80000111.9L33 Y34 T44 T47 D66T30-L33 PolarHBondContact O-N 2.91Å; T30-Y34 HydrophobicContact CG2-CD2 3.96Å; T30-Y34 HydrophobicContact CG2-CE2 3.57Å; T30-Y34 WeakPolarHBondContact O-CD2 3.37Å; T30-Y34 PolarHBondContact O-N 3.07Å; T30-T44 HydrophobicContact CG2-CG2 3.75Å; T30-T47 PolarHBondContact OG1-OG1 3.48Å; T30-D66 WeakPolarHBondContact CA-OD2 3.45Å; T30-D66 WeakPolarHBondContact CB-OD2 3.43Å; T30-D66 PolarHBondContact OG1-OD2 3.49Å
31T94.8Very high88.3Confident16 Ų1636.6 Ų36.610%0.09819%0.194CC..Hα-helixtrans-62-43.6174.2-46.70000111.2G28 K29 Y34 Q35 A159 L160G28-T31 PolarHBondContact O-N 3.02Å; K29-T31 VanDerWaalsContact C-N 3.32Å; K29-T31 PolarHBondContact O-N 3.19Å; T31-Y34 PolarHBondContact O-N 2.72Å; T31-Q35 VanDerWaalsContact O-CB 3.28Å; T31-Q35 WeakPolarHBondContact O-CB 3.36Å; T31-Q35 PolarHBondContact O-N 3.46Å; T31-A159 HydrophobicContact CG2-CB 3.75Å; T31-L160 HydrophobicContact CG2-CD2 4.1Å
32I95.4Very high86.6Confident0 Ų039 Ų390%021%0.209CC..Hα-helixtrans-61.7-44.8175-71.1175.8000110.9G28 K29 Y34 Q35 F36 V90 F123 A159 L165G28-I32 WeakPolarHBondContact O-CG1 3.37Å; G28-I32 PolarHBondContact O-N 2.87Å; K29-I32 WeakPolarHBondContact O-CB 3.49Å; K29-I32 PolarHBondContact O-N 2.72Å; I32-Y34 PolarHBondContact O-N 3.33Å; I32-Q35 PolarHBondContact O-N 3.24Å; I32-F36 HydrophobicContact CG2-CD2 3.87Å; I32-F36 HydrophobicContact CG2-CE2 3.32Å; I32-F36 HydrophobicContact CG2-CZ 3.84Å; I32-F36 WeakPolarHBondContact O-CD2 3.09Å; I32-F36 WeakPolarHBondContact O-CG 3.41Å; I32-F36 PolarHBondContact O-N 3.38Å; I32-V90 HydrophobicContact CD1-CB 4.48Å; I32-V90 HydrophobicContact CD1-CG1 3.72Å; I32-V90 HydrophobicContact CD1-CG2 3.88Å; I32-F123 HydrophobicContact CD1-CB 4.14Å; I32-F123 HydrophobicContact CD1-CD2 3.92Å; I32-F123 HydrophobicContact CD1-CG 4.16Å; I32-F123 HydrophobicContact CG2-CD2 4.43Å; I32-F123 HydrophobicContact CG2-CE2 4.25Å; I32-A159 HydrophobicContact CD1-CB 4.42Å; I32-A159 HydrophobicContact CG1-CB 3.55Å; I32-L165 HydrophobicContact CD1-CD2 4.1Å; I32-L165 HydrophobicContact CG1-CD1 4.45Å; I32-L165 HydrophobicContact CG1-CD2 3.96Å; I32-L165 HydrophobicContact CG2-CD1 4.42Å; I32-L165 HydrophobicContact CG2-CD2 4.17Å
33L93.4Very high85Confident0 Ų047.6 Ų47.60%025%0.249CC..Hα-helixtrans-57.9-47.6178.4-174.665.1000111.8I21 K29 T30 F36 S37 E53 M64 D66I21-L33 HydrophobicContact CD1-CB 4.3Å; I21-L33 HydrophobicContact CD1-CD1 3.96Å; K29-L33 PolarHBondContact O-N 2.93Å; T30-L33 PolarHBondContact O-N 2.91Å; L33-F36 WeakPolarHBondContact O-CB 3.46Å; L33-F36 PolarHBondContact O-N 3.29Å; L33-S37 PolarHBondContact O-N 3.49Å; L33-E53 HydrophobicContact CD1-CB 3.88Å; L33-E53 HydrophobicContact CD1-CG 4.21Å; L33-E53 HydrophobicContact CD2-CB 4.25Å; L33-E53 HydrophobicContact CD2-CG 3.72Å; L33-E53 HydrophobicContact CG-CB 4.11Å; L33-E53 HydrophobicContact CG-CG 3.86Å; L33-M64 HydrophobicContact CD1-CB 3.58Å; L33-M64 HydrophobicContact CD1-CG 4.43Å; L33-M64 HydrophobicContact CD1-SD 4.19Å; L33-D66 HydrophobicContact CD2-CB 3.69Å
34Y89.6Confident83.7Confident51 Ų5150.3 Ų50.320%0.227%0.265CS..Hα-helixtrans-71.2-33178-69.3-40.5000113.3T30 T31 I32 F36 S37 M38 V42 T44T30-Y34 HydrophobicContact CG2-CD2 3.96Å; T30-Y34 HydrophobicContact CG2-CE2 3.57Å; T30-Y34 WeakPolarHBondContact O-CD2 3.37Å; T30-Y34 PolarHBondContact O-N 3.07Å; T31-Y34 PolarHBondContact O-N 2.72Å; I32-Y34 PolarHBondContact O-N 3.33Å; Y34-F36 PolarHBondContact O-N 3.41Å; Y34-S37 PolarHBondContact O-N 3.13Å; Y34-M38 HydrophobicContact CD1-CE 4.43Å; Y34-M38 PolarHBondContact O-N 3.47Å; Y34-V42 HydrophobicContact CD2-CB 3.68Å; Y34-V42 HydrophobicContact CD2-CG1 4.05Å; Y34-V42 HydrophobicContact CD2-CG2 3.97Å; Y34-V42 HydrophobicContact CE2-CB 4.3Å; Y34-V42 HydrophobicContact CE2-CG1 4.16Å; Y34-V42 HydrophobicContact CG-CB 4.26Å; Y34-V42 HydrophobicContact CG-CG2 4.07Å; Y34-T44 HydrophobicContact CD2-CG2 3.95Å; Y34-T44 HydrophobicContact CE2-CG2 3.9Å
35Q91.4Very high82.4Confident14 Ų1454.8 Ų54.87%0.06530%0.297CS..Hα-helixtrans-61.5-35.7173.2-166.46332.300111.1T31 I32 N39 E40 L165T31-Q35 VanDerWaalsContact O-CB 3.28Å; T31-Q35 WeakPolarHBondContact O-CB 3.36Å; T31-Q35 PolarHBondContact O-N 3.46Å; I32-Q35 PolarHBondContact O-N 3.24Å; Q35-N39 WeakPolarHBondContact O-CA 3.36Å; Q35-N39 PolarHBondContact O-N 3.37Å; Q35-E40 PolarHBondContact OE1-O 3.31Å; Q35-L165 HydrophobicContact CB-CD1 3.79Å; Q35-L165 HydrophobicContact CG-CD1 3.57Å
36F85.5Confident81.2Confident35 Ų3556.4 Ų56.415%0.15431%0.309CS..Hα-helixtrans-70.9-41.5172.3-68.1-40.6000113.7I32 L33 Y34 I55 M64 F123 L165 L169I32-F36 HydrophobicContact CG2-CD2 3.87Å; I32-F36 HydrophobicContact CG2-CE2 3.32Å; I32-F36 HydrophobicContact CG2-CZ 3.84Å; I32-F36 WeakPolarHBondContact O-CD2 3.09Å; I32-F36 WeakPolarHBondContact O-CG 3.41Å; I32-F36 PolarHBondContact O-N 3.38Å; L33-F36 WeakPolarHBondContact O-CB 3.46Å; L33-F36 PolarHBondContact O-N 3.29Å; Y34-F36 PolarHBondContact O-N 3.41Å; F36-I55 HydrophobicContact CB-CD1 3.72Å; F36-I55 HydrophobicContact CB-CG1 3.95Å; F36-I55 HydrophobicContact CB-CG2 3.81Å; F36-I55 HydrophobicContact CG-CG2 4.42Å; F36-M64 HydrophobicContact CD2-CE 4.21Å; F36-M64 HydrophobicContact CD2-SD 3.87Å; F36-M64 HydrophobicContact CE2-CE 4.35Å; F36-M64 HydrophobicContact CE2-SD 4.23Å; F36-F123 HydrophobicContact CE2-CE2 4.46Å; F36-F123 HydrophobicContact CZ-CE2 4.06Å; F36-F123 HydrophobicContact CZ-CZ 4.1Å; F36-L165 HydrophobicContact CD1-CB 4.47Å; F36-L165 HydrophobicContact CE1-CB 3.57Å; F36-L165 HydrophobicContact CE1-CD1 4.23Å; F36-L165 HydrophobicContact CE1-CG 4.42Å; F36-L165 HydrophobicContact CZ-CB 4.04Å; F36-L169 HydrophobicContact CD1-CD1 3.4Å; F36-L169 HydrophobicContact CD1-CG 4.22Å; F36-L169 HydrophobicContact CE1-CD1 3.1Å; F36-L169 HydrophobicContact CE1-CD2 4.01Å; F36-L169 HydrophobicContact CE1-CG 3.48Å; F36-L169 VanDerWaalsContact CE1-CG 3.48Å; F36-L169 HydrophobicContact CE2-CD1 4.49Å; F36-L169 HydrophobicContact CE2-CD2 4.06Å; F36-L169 HydrophobicContact CE2-CG 4.41Å; F36-L169 HydrophobicContact CG-CD1 4.22Å; F36-L169 HydrophobicContact CZ-CD1 3.74Å; F36-L169 HydrophobicContact CZ-CD2 3.71Å; F36-L169 HydrophobicContact CZ-CG 3.6Å
37S79.6Confident80.2Confident48 Ų4853.1 Ų53.134%0.33629%0.293SS..Hα-helixtrans-75.7-43.6-173.4177.30000112.7L33 Y34L33-S37 PolarHBondContact O-N 3.49Å; Y34-S37 PolarHBondContact O-N 3.13Å
38M76.3Confident79.3Confident98 Ų9860.1 Ų60.148%0.48333%0.328SS..Hα-helixtrans-118.7-8.6-166.4-56.9-173.1-174.600113.2Y34 E40Y34-M38 HydrophobicContact CD1-CE 4.43Å; Y34-M38 PolarHBondContact O-N 3.47Å; M38-E40 HydrophobicContact CB-CB 4.18Å; M38-E40 PolarHBondContact O-N 3.07Å; M38-E40 VanDerWaalsContact O-N 3.1Å
39N69.4Low78.8Confident131 Ų13161 Ų6170%0.70134%0.338SS*.SBendtrans52.425.3-169.4-151.233.7000112.8Q35Q35-N39 WeakPolarHBondContact O-CA 3.36Å; Q35-N39 PolarHBondContact O-N 3.37Å
40E56.6Low78.3Confident131 Ų13162.6 Ų62.661%0.61235%0.35SS*.SBendtrans-126146.4-178.2-75-170.7174.800110.4Q35 M38 V42Q35-E40 PolarHBondContact OE1-O 3.31Å; M38-E40 HydrophobicContact CB-CB 4.18Å; M38-E40 PolarHBondContact O-N 3.07Å; M38-E40 VanDerWaalsContact O-N 3.1Å; E40-V42 PolarHBondContact O-N 3.23Å
41V58.9Low78Confident64 Ų6464.2 Ų64.239%0.38836%0.358SS..  trans-85.9112.6176.6-175.20000109.5L160V41-L160 HydrophobicContact CG1-CD2 3.56Å; V41-L160 WeakPolarHBondContact CG2-O 3.39Å
42V63.3Low77.7Confident50 Ų5066.1 Ų66.130%0.30337%0.37SS..  trans-98.6127.6172.7-175.90000109.1Y34 E40 T44Y34-V42 HydrophobicContact CD2-CB 3.68Å; Y34-V42 HydrophobicContact CD2-CG1 4.05Å; Y34-V42 HydrophobicContact CD2-CG2 3.97Å; Y34-V42 HydrophobicContact CE2-CB 4.3Å; Y34-V42 HydrophobicContact CE2-CG1 4.16Å; Y34-V42 HydrophobicContact CG-CB 4.26Å; Y34-V42 HydrophobicContact CG-CG2 4.07Å; E40-V42 PolarHBondContact O-N 3.23Å; V42-T44 HydrophobicContact CB-CG2 4.46Å; V42-T44 HydrophobicContact CG1-CG2 4.26Å; V42-T44 PolarHBondContact O-N 3.34Å
43H65.1Low77.4Confident181 Ų18168.5 Ų68.584%0.83838%0.381SS*.  trans-70.6121.9168-75.3-65.9000109.6
44T68.3Low77.2Confident58 Ų5873.2 Ų73.236%0.35640%0.403SS..  trans-119.3142.6-173.259.40000112.3T30 Y34 V42T30-T44 HydrophobicContact CG2-CG2 3.75Å; Y34-T44 HydrophobicContact CD2-CG2 3.95Å; Y34-T44 HydrophobicContact CE2-CG2 3.9Å; V42-T44 HydrophobicContact CB-CG2 4.46Å; V42-T44 HydrophobicContact CG1-CG2 4.26Å; V42-T44 PolarHBondContact O-N 3.34Å
45S71.3Confident77Confident102 Ų10271.1 Ų71.171%0.71340%0.395SS*.PPolyproline II helixtrans-85.3163.6162.7-65.60000110.6T47S45-T47 PolarHBondContact O-N 3.45Å
46P67.3Low76.7Confident69 Ų6974.3 Ų74.345%0.44842%0.415SS..PPolyproline II helixtrans-54.8127.8175.6-26.635.1000112.7
47T73.1Confident76.5Confident29 Ų2973.6 Ų73.618%0.17841%0.414CS..PPolyproline II helixtrans-65.2136.6177.9-46.30000111.6T30 S45 D66T30-T47 PolarHBondContact OG1-OG1 3.48Å; S45-T47 PolarHBondContact O-N 3.45Å; T47-D66 PolarHBondContact OG1-OD2 2.81Å
48I78Confident76.5Confident147 Ų14776.9 Ų76.975%0.75443%0.427SS*.SBendtrans-106.4122.1169.6-58.5176.6000107.3
49G86.1Confident76.6Confident32 Ų3278.7 Ų78.733%0.3344%0.439SS..SBendtrans79.1-121.4-176.700000112.4G68G49-G68 PolarHBondContact O-N 3.23Å
50S87.4Confident77.3Confident44 Ų4473.7 Ų73.731%0.30841%0.414SS..EExtended strand (participates in β ladder)trans-144.2155.1178.556.80000113D66 Y80S50-D66 CarbonylContact C-O 3.5Å; S50-D66 WeakPolarHBondContact CA-O 3.27Å; S50-D66 WeakPolarHBondContact CB-O 3.36Å; S50-Y80 WeakPolarHBondContact CB-OH 3.48Å; S50-Y80 WeakPolarHBondContact OG-CE1 3.47Å; S50-Y80 PolarHBondContact OG-OH 3.08Å
51N87.7Confident78.7Confident49 Ų4969 Ų6926%0.26239%0.391SS..EExtended strand (participates in β ladder)trans-120.2149.8166.7-168.855.4000109.6E53 W65 D66N51-E53 PolarHBondContact ND2-OE1 3.18Å; N51-W65 CarbonylContact O-C 3.53Å; N51-W65 WeakPolarHBondContact O-CA 3.08Å; N51-D66 PolarHBondContact N-O 3.14Å; N51-D66 PolarHBondContact O-N 2.62Å
52V89Confident80.3Confident55 Ų5565.9 Ų65.933%0.33337%0.373SS..EExtended strand (participates in β ladder)trans-127.8127.8178.2-171.30000109.8M64 W65V52-M64 WeakPolarHBondContact CA-O 3.39Å; V52-W65 HydrophobicContact CG1-CD2 4.4Å; V52-W65 HydrophobicContact CG1-CZ2 4.46Å; V52-W65 HydrophobicContact CG2-CD2 3.42Å; V52-W65 VanDerWaalsContact CG2-CD2 3.42Å; V52-W65 HydrophobicContact CG2-CE3 3.18Å; V52-W65 HydrophobicContact CG2-CG 4.12Å; V52-W65 HydrophobicContact CG2-CH2 3.71Å; V52-W65 HydrophobicContact CG2-CZ2 3.91Å; V52-W65 HydrophobicContact CG2-CZ3 3.34Å
53E89.2Confident81.7Confident51 Ų5165.7 Ų65.724%0.23837%0.37CS..EExtended strand (participates in β ladder)trans-128.8147.4172.3-61.5-68.2159.300110.3L33 N51 I55 M64L33-E53 HydrophobicContact CD1-CB 3.88Å; L33-E53 HydrophobicContact CD1-CG 4.21Å; L33-E53 HydrophobicContact CD2-CB 4.25Å; L33-E53 HydrophobicContact CD2-CG 3.72Å; L33-E53 HydrophobicContact CG-CB 4.11Å; L33-E53 HydrophobicContact CG-CG 3.86Å; N51-E53 PolarHBondContact ND2-OE1 3.18Å; E53-I55 HydrophobicContact CB-CD1 4.22Å; E53-M64 PolarHBondContact N-O 3.25Å; E53-M64 VanDerWaalsContact N-O 3.12Å; E53-M64 PolarHBondContact O-N 2.94Å
54E87.9Confident83.1Confident99 Ų9957.1 Ų57.146%0.46333%0.33SS..EExtended strand (participates in β ladder)trans-92.5119.7170.6-174.6-178.4-175.500109.5H61 F62 L63E54-H61 IonicContact OE1-CE1 3.79Å; E54-H61 IonicContact OE1-CG 2.66Å; E54-H61 IonicContact OE1-ND1 3.07Å; E54-H61 PolarHBondContact OE1-ND1 2.62Å; E54-F62 WeakPolarHBondContact CA-O 3.37Å; E54-L63 HydrophobicContact CB-CD2 3.99Å; E54-L63 HydrophobicContact CG-CD2 4.15Å
55I86.6Confident84.4Confident6 Ų657.9 Ų57.93%0.03133%0.327CS..EExtended strand (participates in β ladder)trans-112.9123.4178.3-52.6-54.7000109F36 E53 V57 F62 M64F36-I55 HydrophobicContact CB-CD1 3.72Å; F36-I55 HydrophobicContact CB-CG1 3.95Å; F36-I55 HydrophobicContact CB-CG2 3.81Å; F36-I55 HydrophobicContact CG-CG2 4.42Å; E53-I55 HydrophobicContact CB-CD1 4.22Å; I55-V57 HydrophobicContact CG2-CG2 3.97Å; I55-F62 HydrophobicContact CB-CB 4.42Å; I55-F62 PolarHBondContact N-O 3.45Å; I55-F62 PolarHBondContact O-N 3.1Å; I55-M64 HydrophobicContact CB-CE 3.95Å; I55-M64 HydrophobicContact CB-SD 4.3Å; I55-M64 HydrophobicContact CG1-CE 3.99Å; I55-M64 HydrophobicContact CG1-CG 4.04Å; I55-M64 HydrophobicContact CG1-SD 3.67Å; I55-M64 HydrophobicContact CG2-CE 4.21Å
56V83.9Confident85.4Confident81 Ų8153 Ų5349%0.49129%0.293SS..EExtended strand (participates in β ladder)trans-104.8118.9179.1-174.40000110.4T60V56-T60 WeakPolarHBondContact CA-O 3.42Å
57V81.3Confident86.7Confident21 Ų2149.8 Ų49.813%0.12727%0.271CS..EExtended strand (participates in β ladder)trans-127.5118179.2-171.60000108.6I55 N59 T60 F62 L169I55-V57 HydrophobicContact CG2-CG2 3.97Å; V57-N59 VanDerWaalsContact C-N 3.27Å; V57-N59 PolarHBondContact O-N 2.87Å; V57-T60 PolarHBondContact N-O 3.22Å; V57-T60 WeakPolarHBondContact O-CA 3.18Å; V57-T60 WeakPolarHBondContact O-CB 3.11Å; V57-T60 PolarHBondContact O-N 2.95Å; V57-F62 HydrophobicContact CB-CD2 4.5Å; V57-F62 HydrophobicContact CB-CE2 4.1Å; V57-F62 HydrophobicContact CG2-CD2 4.1Å; V57-F62 HydrophobicContact CG2-CE2 4.06Å; V57-L169 HydrophobicContact CG2-CD1 3.73Å
58N79.6Confident87.5Confident116 Ų11648.5 Ų48.562%0.6226%0.264SS*.THydrogen-bonded Turntrans50.443.5178.5-61.6-38.1000113.9T60N58-T60 PolarHBondContact O-N 2.61Å
59N79.6Confident88.2Confident136 Ų13641.7 Ų41.773%0.72723%0.23SC*.THydrogen-bonded Turntrans6312.5-173.7-59.67000115.2V57V57-N59 VanDerWaalsContact C-N 3.27Å; V57-N59 PolarHBondContact O-N 2.87Å
60T82.3Confident88.4Confident27 Ų2743.1 Ų43.117%0.16623%0.228CC..EExtended strand (participates in β ladder)trans-95.1127.9169.5-570000109.2H17 V56 V57 N58 F62 L176H17-T60 VanDerWaalsContact CD2-CG2 3.41Å; H17-T60 WeakPolarHBondContact CD2-CG2 3.28Å; V56-T60 WeakPolarHBondContact CA-O 3.42Å; V57-T60 PolarHBondContact N-O 3.22Å; V57-T60 WeakPolarHBondContact O-CA 3.18Å; V57-T60 WeakPolarHBondContact O-CB 3.11Å; V57-T60 PolarHBondContact O-N 2.95Å; N58-T60 PolarHBondContact O-N 2.61Å; T60-F62 HydrophobicContact CG2-CD2 4.29Å; T60-F62 HydrophobicContact CG2-CE1 4.12Å; T60-F62 HydrophobicContact CG2-CE2 3.65Å; T60-F62 HydrophobicContact CG2-CZ 3.55Å; T60-L176 HydrophobicContact CG2-CD1 3.68Å
61H87.7Confident88.6Confident31 Ų3148.6 Ų48.614%0.14425%0.248CC..EExtended strand (participates in β ladder)trans-99.9119.4-177-70.3-117.6000109.2H14 H17 E54H14-H61 AromaticContact CD2-CD2 3.43Å; H14-H61 PolarHBondContact CD2-CD2 2.85Å; H14-H61 VanDerWaalsContact CD2-CD2 3.43Å; H14-H61 AromaticContact CD2-CE1 3.93Å; H14-H61 AromaticContact CD2-NE2 3.08Å; H14-H61 PolarHBondContact CD2-NE2 2.96Å; H14-H61 AromaticContact CG-CD2 3.96Å; H14-H61 AromaticContact CG-NE2 3.8Å; H14-H61 AromaticContact NE2-NE2 3.93Å; H17-H61 PolarHBondContact N-O 2.84Å; E54-H61 IonicContact OE1-CE1 3.79Å; E54-H61 IonicContact OE1-CG 2.66Å; E54-H61 IonicContact OE1-ND1 3.07Å; E54-H61 PolarHBondContact OE1-ND1 2.62Å
62F90.8Very high88.7Confident0 Ų050.6 Ų50.60%027%0.267CS..EExtended strand (participates in β ladder)trans-108.8123.9175.8-64-79.1000109.7H17 V19 E54 I55 V57 T60 M64 F86 M172 L176H17-F62 HydrophobicContact CB-CD1 3.72Å; H17-F62 HydrophobicContact CB-CE1 3.99Å; H17-F62 WeakPolarHBondContact O-CA 3.34Å; V19-F62 HydrophobicContact CG2-CB 4.21Å; V19-F62 HydrophobicContact CG2-CD1 3.63Å; V19-F62 HydrophobicContact CG2-CE1 4.49Å; V19-F62 HydrophobicContact CG2-CG 4.34Å; E54-F62 WeakPolarHBondContact CA-O 3.37Å; I55-F62 HydrophobicContact CB-CB 4.42Å; I55-F62 PolarHBondContact N-O 3.45Å; I55-F62 PolarHBondContact O-N 3.1Å; V57-F62 HydrophobicContact CB-CD2 4.5Å; V57-F62 HydrophobicContact CB-CE2 4.1Å; V57-F62 HydrophobicContact CG2-CD2 4.1Å; V57-F62 HydrophobicContact CG2-CE2 4.06Å; T60-F62 HydrophobicContact CG2-CD2 4.29Å; T60-F62 HydrophobicContact CG2-CE1 4.12Å; T60-F62 HydrophobicContact CG2-CE2 3.65Å; T60-F62 HydrophobicContact CG2-CZ 3.55Å; F62-M64 HydrophobicContact CB-CE 3.72Å; F62-M64 HydrophobicContact CB-CG 4.07Å; F62-M64 HydrophobicContact CD2-CE 4.4Å; F62-M64 HydrophobicContact CG-CE 4.08Å; F62-F86 HydrophobicContact CE1-CE2 4.45Å; F62-M172 HydrophobicContact CD1-CE 4.06Å; F62-M172 HydrophobicContact CE1-CE 3.87Å; F62-M172 HydrophobicContact CZ-CB 4.5Å; F62-L176 HydrophobicContact CE1-CD1 4.03Å; F62-L176 HydrophobicContact CZ-CD1 4.1Å
63L93.3Very high88.7Confident46 Ų4649.8 Ų49.824%0.24126%0.26CS..EExtended strand (participates in β ladder)trans-92.8102.3167.7-70.7-178.6000108.5E16 H17 V19 E54E16-L63 HydrophobicContact CB-CD1 4.11Å; E16-L63 HydrophobicContact CB-CG 4.3Å; E16-L63 HydrophobicContact CG-CD1 4.34Å; E16-L63 HydrophobicContact CG-CG 4.5Å; E16-L63 WeakPolarHBondContact OE2-CD1 3.42Å; H17-L63 PolarHBondContact O-N 2.88Å; V19-L63 PolarHBondContact N-O 2.85Å; E54-L63 HydrophobicContact CB-CD2 3.99Å; E54-L63 HydrophobicContact CG-CD2 4.15Å
64M94.9Very high88.8Confident0 Ų048.4 Ų48.40%025%0.253CS..EExtended strand (participates in β ladder)trans-99.7119.1-173-62-164.3-178.800111.2V19 I21 L33 F36 V52 E53 I55 F62 L169V19-M64 HydrophobicContact CB-CG 4.05Å; V19-M64 HydrophobicContact CG1-CG 4.41Å; V19-M64 HydrophobicContact CG2-CG 4.47Å; V19-M64 WeakPolarHBondContact O-CA 3.36Å; I21-M64 HydrophobicContact CD1-CB 4.19Å; I21-M64 HydrophobicContact CD1-SD 4.07Å; L33-M64 HydrophobicContact CD1-CB 3.58Å; L33-M64 HydrophobicContact CD1-CG 4.43Å; L33-M64 HydrophobicContact CD1-SD 4.19Å; F36-M64 HydrophobicContact CD2-CE 4.21Å; F36-M64 HydrophobicContact CD2-SD 3.87Å; F36-M64 HydrophobicContact CE2-CE 4.35Å; F36-M64 HydrophobicContact CE2-SD 4.23Å; V52-M64 WeakPolarHBondContact CA-O 3.39Å; E53-M64 PolarHBondContact N-O 3.25Å; E53-M64 VanDerWaalsContact N-O 3.12Å; E53-M64 PolarHBondContact O-N 2.94Å; I55-M64 HydrophobicContact CB-CE 3.95Å; I55-M64 HydrophobicContact CB-SD 4.3Å; I55-M64 HydrophobicContact CG1-CE 3.99Å; I55-M64 HydrophobicContact CG1-CG 4.04Å; I55-M64 HydrophobicContact CG1-SD 3.67Å; I55-M64 HydrophobicContact CG2-CE 4.21Å; F62-M64 HydrophobicContact CB-CE 3.72Å; F62-M64 HydrophobicContact CB-CG 4.07Å; F62-M64 HydrophobicContact CD2-CE 4.4Å; F62-M64 HydrophobicContact CG-CE 4.08Å; M64-L169 HydrophobicContact CE-CD2 3.74Å
65W95.1Very high88.9Confident75 Ų7548.2 Ų48.228%0.28426%0.262SS..EExtended strand (participates in β ladder)trans-97105.4176.2-63.372.7000109.7V19 I20 I21 N51 V52 I67 Y80V19-W65 PolarHBondContact O-N 3.19Å; I20-W65 HydrophobicContact CG2-CB 4.33Å; I21-W65 PolarHBondContact N-O 2.87Å; N51-W65 CarbonylContact O-C 3.53Å; N51-W65 WeakPolarHBondContact O-CA 3.08Å; V52-W65 HydrophobicContact CG1-CD2 4.4Å; V52-W65 HydrophobicContact CG1-CZ2 4.46Å; V52-W65 HydrophobicContact CG2-CD2 3.42Å; V52-W65 VanDerWaalsContact CG2-CD2 3.42Å; V52-W65 HydrophobicContact CG2-CE3 3.18Å; V52-W65 HydrophobicContact CG2-CG 4.12Å; V52-W65 HydrophobicContact CG2-CH2 3.71Å; V52-W65 HydrophobicContact CG2-CZ2 3.91Å; V52-W65 HydrophobicContact CG2-CZ3 3.34Å; W65-I67 HydrophobicContact CB-CG1 4.47Å; W65-Y80 HydrophobicContact CD2-CD1 4.02Å; W65-Y80 HydrophobicContact CD2-CE1 4.35Å; W65-Y80 AromaticContact CE3-CD1 3.51Å; W65-Y80 HydrophobicContact CE3-CD1 3.51Å; W65-Y80 AromaticContact CE3-CE1 3.4Å; W65-Y80 HydrophobicContact CE3-CE1 3.4Å; W65-Y80 HydrophobicContact CG-CD1 4.48Å; W65-Y80 HydrophobicContact CZ3-CD1 4.07Å; W65-Y80 AromaticContact CZ3-CE1 3.72Å; W65-Y80 HydrophobicContact CZ3-CE1 3.72Å
66D93.2Very high89.1Confident0 Ų049.8 Ų49.80%027%0.274CS..EExtended strand (participates in β ladder)trans-80.3118.9168.4172.339.6000109.7K29 T30 L33 T47 S50 N51K29-D66 WeakPolarHBondContact CB-OD1 3.13Å; T30-D66 WeakPolarHBondContact CA-OD2 3.45Å; T30-D66 WeakPolarHBondContact CB-OD2 3.43Å; T30-D66 PolarHBondContact OG1-OD2 3.49Å; L33-D66 HydrophobicContact CD2-CB 3.69Å; T47-D66 PolarHBondContact OG1-OD2 2.81Å; S50-D66 CarbonylContact C-O 3.5Å; S50-D66 WeakPolarHBondContact CA-O 3.27Å; S50-D66 WeakPolarHBondContact CB-O 3.36Å; N51-D66 PolarHBondContact N-O 3.14Å; N51-D66 PolarHBondContact O-N 2.62Å
67I93.8Very high89.7Confident1 Ų146 Ų461%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-110.3137.3-172.8-51.6171000109.8I20 I21 V22 K29 W65 G69 W77 Y80I20-I67 HydrophobicContact CB-CD1 4.02Å; I20-I67 HydrophobicContact CG2-CD1 4.25Å; I21-I67 PolarHBondContact O-N 3.11Å; I21-I67 VanDerWaalsContact O-N 3.07Å; V22-I67 HydrophobicContact CG1-CB 4.27Å; V22-I67 HydrophobicContact CG1-CD1 3.83Å; V22-I67 HydrophobicContact CG1-CG1 4.45Å; K29-I67 WeakPolarHBondContact CE-O 3.5Å; W65-I67 HydrophobicContact CB-CG1 4.47Å; I67-G69 PolarHBondContact O-N 2.97Å; I67-W77 HydrophobicContact CG2-CG 4.3Å; I67-Y80 HydrophobicContact CD1-CD1 4.35Å; I67-Y80 HydrophobicContact CD1-CD2 3.53Å; I67-Y80 HydrophobicContact CD1-CE2 4.26Å; I67-Y80 HydrophobicContact CD1-CG 3.59Å; I67-Y80 HydrophobicContact CG1-CD2 4.09Å; I67-Y80 HydrophobicContact CG1-CE2 4.35Å; I67-Y80 HydrophobicContact CG1-CG 4.24Å; I67-Y80 HydrophobicContact CG2-CD2 4.27Å; I67-Y80 HydrophobicContact CG2-CE2 4.06Å
68G90.2Very high90.4Very high1 Ų148.6 Ų48.61%0.0126%0.264CS..  trans-51.5127177.300000113G49 W77G49-G68 PolarHBondContact O-N 3.23Å; G68-W77 PolarHBondContact O-NE1 2.89Å
69G91.6Very high91.1Very high4 Ų447.7 Ų47.74%0.04126%0.263CS..  trans-95.2-2.8-175.300000115.7G23 D25 I67 R74G23-G69 WeakPolarHBondContact O-CA 3.28Å; D25-G69 PolarHBondContact N-O 3.02Å; D25-G69 VanDerWaalsContact N-O 3.17Å; I67-G69 PolarHBondContact O-N 2.97Å; G69-R74 PolarHBondContact O-NE 3.01Å; G69-R74 PolarHBondContact O-NH2 3.46Å; G69-R74 VanDerWaalsContact O-NH2 3.14Å
70Q91.1Very high91.9Very high63 Ų6343.1 Ų43.129%0.29424%0.235SC..SBendtrans-63.6144.2179.3-60.3178.944.500109.8D25 S72 L73 R74D25-Q70 HydrophobicContact CB-CG 4.18Å; Q70-S72 VanDerWaalsContact C-N 3.28Å; Q70-S72 PolarHBondContact O-N 3.1Å; Q70-L73 HydrophobicContact CB-CD1 4.2Å; Q70-L73 HydrophobicContact CB-CG 4.28Å; Q70-L73 HydrophobicContact CG-CD1 4.49Å; Q70-L73 WeakPolarHBondContact O-CA 3.38Å; Q70-L73 WeakPolarHBondContact O-CB 3.33Å; Q70-L73 PolarHBondContact O-N 3.13Å; Q70-R74 WeakPolarHBondContact O-CG 3.46Å; Q70-R74 PolarHBondContact O-N 3.32Å
71E90.9Very high92.6Very high158 Ų15842.4 Ų42.474%0.73823%0.23SC*.Hα-helixtrans-50.6-45.4-175.8-174177.8173.500113.3L73 R74E71-L73 PolarHBondContact O-N 2.99Å; E71-L73 VanDerWaalsContact O-N 3.13Å; E71-R74 PolarHBondContact O-N 3.42Å
72S90Very high93Very high92 Ų9244 Ų4464%0.64324%0.242SC*.Hα-helixtrans-63.2-17.7178.656.30000114.6Q70Q70-S72 VanDerWaalsContact C-N 3.28Å; Q70-S72 PolarHBondContact O-N 3.1Å
73L88.9Confident93.1Very high38 Ų3850.5 Ų50.520%0.19928%0.277CS..Hα-helixtrans-101.2-16.6-177.6-59.2179.7000113.1Q70 E71 S75 S76Q70-L73 HydrophobicContact CB-CD1 4.2Å; Q70-L73 HydrophobicContact CB-CG 4.28Å; Q70-L73 HydrophobicContact CG-CD1 4.49Å; Q70-L73 WeakPolarHBondContact O-CA 3.38Å; Q70-L73 WeakPolarHBondContact O-CB 3.33Å; Q70-L73 PolarHBondContact O-N 3.13Å; E71-L73 PolarHBondContact O-N 2.99Å; E71-L73 VanDerWaalsContact O-N 3.13Å; L73-S75 VanDerWaalsContact C-N 3.27Å; L73-S75 PolarHBondContact O-N 3.43Å; L73-S76 WeakPolarHBondContact O-CB 3.33Å; L73-S76 PolarHBondContact O-N 3.13Å; L73-S76 PolarHBondContact O-OG 3.3Å
74R92Very high93.3Very high21 Ų2148.7 Ų48.78%0.07927%0.268CS..Hα-helixtrans-64.2-30.2-172.6-57.7-174.1-167.9135.26.5113.6L24 D25 G69 Q70 E71 S76 W77L24-R74 VanDerWaalsContact CD2-CZ 3.45Å; D25-R74 IonicContact OD1-NH2 3.7Å; D25-R74 PolarHBondContact OD1-NH2 3.37Å; G69-R74 PolarHBondContact O-NE 3.01Å; G69-R74 PolarHBondContact O-NH2 3.46Å; G69-R74 VanDerWaalsContact O-NH2 3.14Å; Q70-R74 WeakPolarHBondContact O-CG 3.46Å; Q70-R74 PolarHBondContact O-N 3.32Å; E71-R74 PolarHBondContact O-N 3.42Å; R74-S76 PolarHBondContact O-N 3.13Å; R74-S76 VanDerWaalsContact O-N 3.16Å; R74-W77 HydrophobicContact CB-CD2 4.37Å; R74-W77 HydrophobicContact CB-CZ2 4.28Å; R74-W77 HydrophobicContact CG-CH2 4.3Å; R74-W77 HydrophobicContact CG-CZ2 3.75Å; R74-W77 WeakPolarHBondContact O-CB 3.49Å; R74-W77 VanDerWaalsContact O-CG 3.29Å; R74-W77 PolarHBondContact O-N 2.94Å
75S90.5Very high93.4Very high95 Ų9550.9 Ų50.966%0.66428%0.278SS*.THydrogen-bonded Turntrans-61-21.7174.957.40000113.4L73 N78L73-S75 VanDerWaalsContact C-N 3.27Å; L73-S75 PolarHBondContact O-N 3.43Å; S75-N78 PolarHBondContact O-OD1 3.18Å; S75-N78 VanDerWaalsContact O-OD1 3.13Å
76S91.3Very high93.5Very high40 Ų4047.3 Ų47.328%0.2826%0.264SS..THydrogen-bonded Turntrans-89.2-6.6-18073.10000114.4L73 R74 N78 T79L73-S76 WeakPolarHBondContact O-CB 3.33Å; L73-S76 PolarHBondContact O-N 3.13Å; L73-S76 PolarHBondContact O-OG 3.3Å; R74-S76 PolarHBondContact O-N 3.13Å; R74-S76 VanDerWaalsContact O-N 3.16Å; S76-N78 PolarHBondContact O-N 3.19Å; S76-T79 WeakPolarHBondContact O-CB 2.91Å; S76-T79 WeakPolarHBondContact O-CG2 3.34Å; S76-T79 PolarHBondContact O-N 3.39Å; S76-T79 VanDerWaalsContact O-N 3.09Å; S76-T79 PolarHBondContact O-OG1 3.19Å
77W95.6Very high93.8Very high2 Ų247.5 Ų47.51%0.00827%0.266CS..G310 helixtrans-57.4-34.3-178.3-70.21.8000112.5V22 I67 G68 R74 T79 Y80 Y81 E105 M109V22-W77 HydrophobicContact CB-CD2 4.4Å; V22-W77 HydrophobicContact CB-CE3 4.22Å; V22-W77 HydrophobicContact CB-CH2 4.19Å; V22-W77 HydrophobicContact CB-CZ2 4.36Å; V22-W77 HydrophobicContact CB-CZ3 4.1Å; V22-W77 HydrophobicContact CG1-CD2 3.97Å; V22-W77 HydrophobicContact CG1-CE3 4.12Å; V22-W77 HydrophobicContact CG1-CG 4.31Å; V22-W77 HydrophobicContact CG1-CZ3 4.5Å; I67-W77 HydrophobicContact CG2-CG 4.3Å; G68-W77 PolarHBondContact O-NE1 2.89Å; R74-W77 HydrophobicContact CB-CD2 4.37Å; R74-W77 HydrophobicContact CB-CZ2 4.28Å; R74-W77 HydrophobicContact CG-CH2 4.3Å; R74-W77 HydrophobicContact CG-CZ2 3.75Å; R74-W77 WeakPolarHBondContact O-CB 3.49Å; R74-W77 VanDerWaalsContact O-CG 3.29Å; R74-W77 PolarHBondContact O-N 2.94Å; W77-T79 PolarHBondContact O-N 3.49Å; W77-T79 VanDerWaalsContact O-N 3.15Å; W77-Y80 PolarHBondContact O-N 3.2Å; W77-Y81 HydrophobicContact CB-CE1 3.97Å; W77-Y81 VanDerWaalsContact CB-OH 3.3Å; W77-Y81 WeakPolarHBondContact CB-OH 3.45Å; W77-Y81 VanDerWaalsContact O-CD1 3.27Å; W77-Y81 WeakPolarHBondContact O-CD1 3.43Å; W77-Y81 WeakPolarHBondContact O-CE1 3.41Å; W77-E105 HydrophobicContact CH2-CB 4.33Å; W77-E105 HydrophobicContact CH2-CG 4.47Å; W77-E105 HydrophobicContact CZ3-CB 3.84Å; W77-E105 HydrophobicContact CZ3-CG 4.3Å; W77-M109 HydrophobicContact CE3-CG 4.15Å; W77-M109 HydrophobicContact CE3-SD 3.52Å; W77-M109 VanDerWaalsContact CE3-SD 3.52Å; W77-M109 HydrophobicContact CZ3-SD 3.68Å
78N95.3Very high94Very high74 Ų7447.5 Ų47.540%0.39627%0.265SS..G310 helixtrans-60.1-25.2179.569.4-25.6000114.2S75 S76 Y80 Y81S75-N78 PolarHBondContact O-OD1 3.18Å; S75-N78 VanDerWaalsContact O-OD1 3.13Å; S76-N78 PolarHBondContact O-N 3.19Å; N78-Y80 PolarHBondContact O-N 3.34Å; N78-Y80 VanDerWaalsContact O-N 3.09Å; N78-Y81 VanDerWaalsContact CA-CZ 3.46Å; N78-Y81 HydrophobicContact CB-CD2 3.93Å; N78-Y81 HydrophobicContact CB-CE2 3.64Å; N78-Y81 PolarHBondContact N-OH 2.83Å; N78-Y81 PolarHBondContact O-N 2.88Å
79T95.4Very high94.4Very high97 Ų9747.6 Ų47.660%0.59527%0.266SS*.G310 helixtrans-62.8-15.9175.866.30000113.1S76 W77S76-T79 WeakPolarHBondContact O-CB 2.91Å; S76-T79 WeakPolarHBondContact O-CG2 3.34Å; S76-T79 PolarHBondContact O-N 3.39Å; S76-T79 VanDerWaalsContact O-N 3.09Å; S76-T79 PolarHBondContact O-OG1 3.19Å; W77-T79 PolarHBondContact O-N 3.49Å; W77-T79 VanDerWaalsContact O-N 3.15Å
80Y96.4Very high94.7Very high40 Ų4047.4 Ų47.416%0.15726%0.264CS..G310 helixtrans-102.6-6.7-179.3-58.9-86.7000113.9K18 S50 W65 I67 W77 N78 T84K18-Y80 WeakPolarHBondContact CE-O 3.36Å; K18-Y80 PolarHBondContact NZ-O 3.21Å; S50-Y80 WeakPolarHBondContact CB-OH 3.48Å; S50-Y80 WeakPolarHBondContact OG-CE1 3.47Å; S50-Y80 PolarHBondContact OG-OH 3.08Å; W65-Y80 HydrophobicContact CD2-CD1 4.02Å; W65-Y80 HydrophobicContact CD2-CE1 4.35Å; W65-Y80 AromaticContact CE3-CD1 3.51Å; W65-Y80 HydrophobicContact CE3-CD1 3.51Å; W65-Y80 AromaticContact CE3-CE1 3.4Å; W65-Y80 HydrophobicContact CE3-CE1 3.4Å; W65-Y80 HydrophobicContact CG-CD1 4.48Å; W65-Y80 HydrophobicContact CZ3-CD1 4.07Å; W65-Y80 AromaticContact CZ3-CE1 3.72Å; W65-Y80 HydrophobicContact CZ3-CE1 3.72Å; I67-Y80 HydrophobicContact CD1-CD1 4.35Å; I67-Y80 HydrophobicContact CD1-CD2 3.53Å; I67-Y80 HydrophobicContact CD1-CE2 4.26Å; I67-Y80 HydrophobicContact CD1-CG 3.59Å; I67-Y80 HydrophobicContact CG1-CD2 4.09Å; I67-Y80 HydrophobicContact CG1-CE2 4.35Å; I67-Y80 HydrophobicContact CG1-CG 4.24Å; I67-Y80 HydrophobicContact CG2-CD2 4.27Å; I67-Y80 HydrophobicContact CG2-CE2 4.06Å; W77-Y80 PolarHBondContact O-N 3.2Å; N78-Y80 PolarHBondContact O-N 3.34Å; N78-Y80 VanDerWaalsContact O-N 3.09Å; Y80-T84 PolarHBondContact O-OG1 2.85Å
81Y97.3Very high95.1Very high12 Ų1244.4 Ų44.45%0.04725%0.25CC..  trans-70.8-37.7-168.6-65.1-9.1000114.2I20 W77 N78 N83 T84 M109 H112 L115I20-Y81 HydrophobicContact CD1-CD1 3.68Å; I20-Y81 HydrophobicContact CD1-CE1 3.9Å; W77-Y81 HydrophobicContact CB-CE1 3.97Å; W77-Y81 VanDerWaalsContact CB-OH 3.3Å; W77-Y81 WeakPolarHBondContact CB-OH 3.45Å; W77-Y81 VanDerWaalsContact O-CD1 3.27Å; W77-Y81 WeakPolarHBondContact O-CD1 3.43Å; W77-Y81 WeakPolarHBondContact O-CE1 3.41Å; N78-Y81 VanDerWaalsContact CA-CZ 3.46Å; N78-Y81 HydrophobicContact CB-CD2 3.93Å; N78-Y81 HydrophobicContact CB-CE2 3.64Å; N78-Y81 PolarHBondContact N-OH 2.83Å; N78-Y81 PolarHBondContact O-N 2.88Å; Y81-N83 PolarHBondContact O-N 3.39Å; Y81-T84 WeakPolarHBondContact O-CB 3.3Å; Y81-T84 PolarHBondContact O-N 2.88Å; Y81-T84 PolarHBondContact O-OG1 3.47Å; Y81-M109 HydrophobicContact CE1-CE 3.81Å; Y81-M109 WeakPolarHBondContact OH-CG 3.49Å; Y81-H112 HydrophobicContact CD2-CB 3.79Å; Y81-H112 AromaticContact CD2-CD2 3.91Å; Y81-H112 AromaticContact CD2-CG 3.52Å; Y81-H112 AromaticContact CD2-ND1 3.63Å; Y81-H112 HydrophobicContact CE2-CB 3.91Å; Y81-H112 AromaticContact CE2-CG 3.91Å; Y81-L115 HydrophobicContact CD1-CD1 3.81Å; Y81-L115 HydrophobicContact CD1-CD2 4.19Å; Y81-L115 HydrophobicContact CD1-CG 4.17Å; Y81-L115 HydrophobicContact CD2-CD1 3.86Å; Y81-L115 HydrophobicContact CD2-CG 4Å; Y81-L115 HydrophobicContact CE1-CD1 4.01Å; Y81-L115 HydrophobicContact CE2-CD1 4.05Å; Y81-L115 HydrophobicContact CG-CD1 3.76Å; Y81-L115 HydrophobicContact CG-CD2 4.04Å; Y81-L115 HydrophobicContact CG-CG 3.75Å
82T95.3Very high95.5Very high66 Ų6637.7 Ų37.741%0.40522%0.219SC..THydrogen-bonded Turntrans-51.9129.7-177.1-49.40000111.7K18 T84 D114K18-T82 PolarHBondContact NZ-O 3.39Å; T82-T84 PolarHBondContact O-N 3.36Å; T82-D114 WeakPolarHBondContact CA-OD2 3.44Å; T82-D114 PolarHBondContact N-OD2 3.37Å; T82-D114 PolarHBondContact OG1-OD2 2.86Å
83N93.4Very high95.9Very high136 Ų13633.3 Ų33.373%0.72719%0.188SC*.THydrogen-bonded Turntrans62.314.9-177-56.1-36.9000115.9Y81 E85Y81-N83 PolarHBondContact O-N 3.39Å; N83-E85 PolarHBondContact O-N 3.1Å
84T97Very high96.4Very high8 Ų834.3 Ų34.35%0.04920%0.196CC..  trans-71.3125.5175.4-63.30000110.6I20 Y80 Y81 T82 F86 V87 L115I20-T84 HydrophobicContact CB-CG2 4.47Å; I20-T84 HydrophobicContact CD1-CG2 4.15Å; I20-T84 HydrophobicContact CG1-CG2 3.91Å; I20-T84 HydrophobicContact CG2-CG2 4.09Å; Y80-T84 PolarHBondContact O-OG1 2.85Å; Y81-T84 WeakPolarHBondContact O-CB 3.3Å; Y81-T84 PolarHBondContact O-N 2.88Å; Y81-T84 PolarHBondContact O-OG1 3.47Å; T82-T84 PolarHBondContact O-N 3.36Å; T84-F86 WeakPolarHBondContact CG2-O 3.28Å; T84-V87 HydrophobicContact CG2-CG2 4.1Å; T84-L115 HydrophobicContact CG2-CD2 3.96Å
85E96.9Very high96.6Very high46 Ų4634.8 Ų34.822%0.21520%0.2CC..  trans-92.5-30.8177.8-68.4-166-113.100113H17 K18 N83 A118 G119 R179H17-E85 WeakPolarHBondContact CA-OE1 3.3Å; H17-E85 IonicContact CE1-OE1 3.55Å; H17-E85 IonicContact CG-OE1 3.7Å; H17-E85 VanDerWaalsContact ND1-CD 3.33Å; H17-E85 IonicContact ND1-OE1 2.67Å; H17-E85 PolarHBondContact ND1-OE1 3.16Å; H17-E85 IonicContact ND1-OE2 2.65Å; H17-E85 PolarHBondContact ND1-OE2 2.76Å; K18-E85 PolarHBondContact O-N 3.23Å; N83-E85 PolarHBondContact O-N 3.1Å; E85-A118 CarbonylContact O-C 3.56Å; E85-A118 VanDerWaalsContact O-CA 3.23Å; E85-A118 WeakPolarHBondContact O-CA 3.43Å; E85-G119 PolarHBondContact O-N 2.99Å; E85-R179 IonicContact OE2-NH1 3.86Å; E85-R179 PolarHBondContact OE2-NH1 3.49Å
86F98.1Very high97Very high0 Ų035.7 Ų35.70%019%0.189CC..EExtended strand (participates in β ladder)trans-137.9141.1175.8-61.9-84.4000112K18 V19 I20 F62 T84 G119 W171 M172 Q175 L176K18-F86 PolarHBondContact O-N 3.13Å; V19-F86 WeakPolarHBondContact CA-O 3.43Å; V19-F86 HydrophobicContact CG1-CB 4.26Å; V19-F86 HydrophobicContact CG2-CB 4.26Å; V19-F86 HydrophobicContact CG2-CD2 4.45Å; I20-F86 PolarHBondContact N-O 2.91Å; I20-F86 VanDerWaalsContact N-O 3.08Å; F62-F86 HydrophobicContact CE1-CE2 4.45Å; T84-F86 WeakPolarHBondContact CG2-O 3.28Å; F86-G119 CarbonylContact C-O 3.54Å; F86-G119 VanDerWaalsContact CA-O 3.26Å; F86-G119 WeakPolarHBondContact CA-O 3.4Å; F86-W171 HydrophobicContact CD1-CZ3 4.28Å; F86-W171 HydrophobicContact CE1-CZ3 4.4Å; F86-M172 HydrophobicContact CB-CE 3.7Å; F86-M172 HydrophobicContact CD1-CB 4.4Å; F86-M172 HydrophobicContact CD1-CE 4.41Å; F86-M172 HydrophobicContact CD1-CG 4.08Å; F86-M172 HydrophobicContact CD2-CE 3.8Å; F86-M172 HydrophobicContact CE1-CB 4.23Å; F86-M172 HydrophobicContact CE1-CG 4.33Å; F86-M172 HydrophobicContact CE2-CB 4.48Å; F86-M172 HydrophobicContact CG-CE 3.72Å; F86-M172 HydrophobicContact CG-CG 4.33Å; F86-M172 HydrophobicContact CZ-CB 4.27Å; F86-M172 VanDerWaalsContact CZ-O 3.3Å; F86-M172 WeakPolarHBondContact CZ-O 3.42Å; F86-Q175 HydrophobicContact CE1-CB 3.83Å; F86-Q175 HydrophobicContact CE1-CG 4.25Å; F86-Q175 HydrophobicContact CZ-CB 3.91Å; F86-L176 HydrophobicContact CE2-CD1 4.29Å; F86-L176 HydrophobicContact CE2-CD2 3.64Å; F86-L176 HydrophobicContact CE2-CG 3.83Å; F86-L176 HydrophobicContact CZ-CD2 3.94Å; F86-L176 HydrophobicContact CZ-CG 3.93Å
87V98.4Very high97.3Very high4 Ų442.3 Ų42.32%0.02422%0.215CC..EExtended strand (participates in β ladder)trans-107.9123168.5-177.60000107.7I20 V22 T84 I89 M109 L115 A118 G119 L120 L121I20-V87 HydrophobicContact CD1-CG1 4.27Å; I20-V87 HydrophobicContact CD1-CG2 3.94Å; I20-V87 HydrophobicContact CG1-CB 4.24Å; I20-V87 HydrophobicContact CG1-CG1 4.04Å; I20-V87 HydrophobicContact CG1-CG2 3.97Å; V22-V87 HydrophobicContact CG2-CG1 3.68Å; T84-V87 HydrophobicContact CG2-CG2 4.1Å; V87-I89 HydrophobicContact CG1-CD1 4.18Å; V87-I89 HydrophobicContact CG1-CG1 4.08Å; V87-M109 HydrophobicContact CG1-CE 3.54Å; V87-M109 HydrophobicContact CG2-CE 4.37Å; V87-L115 HydrophobicContact CG2-CD1 4.13Å; V87-L115 HydrophobicContact CG2-CD2 3.87Å; V87-A118 HydrophobicContact CG2-CB 4.11Å; V87-G119 PolarHBondContact N-O 3.43Å; V87-L120 HydrophobicContact CB-CD1 4.12Å; V87-L120 HydrophobicContact CG1-CD1 4.17Å; V87-L121 PolarHBondContact O-N 3.42Å
88I98.6Very high97.4Very high0 Ų045.6 Ų45.60%023%0.228CC..EExtended strand (participates in β ladder)trans-99.1113.4168.6-58.3-178.3000108V19 I20 I21 V22 V90 L121 F123 M172V19-I88 HydrophobicContact CG1-CD1 3.71Å; V19-I88 HydrophobicContact CG1-CG1 3.74Å; I20-I88 PolarHBondContact O-N 3.45Å; I21-I88 WeakPolarHBondContact CA-O 3.32Å; I21-I88 HydrophobicContact CG1-CB 4.27Å; I21-I88 HydrophobicContact CG1-CD1 4.28Å; I21-I88 HydrophobicContact CG2-CB 4.37Å; I21-I88 HydrophobicContact CG2-CG2 4.26Å; V22-I88 WeakPolarHBondContact CG2-O 3.44Å; V22-I88 PolarHBondContact N-O 3.36Å; I88-V90 HydrophobicContact CG2-CG2 4.07Å; I88-L121 CarbonylContact C-O 3.57Å; I88-L121 VanDerWaalsContact CA-O 3.29Å; I88-L121 WeakPolarHBondContact CA-O 3.41Å; I88-L121 HydrophobicContact CD1-CD2 4.36Å; I88-L121 HydrophobicContact CG1-CB 4.29Å; I88-L121 HydrophobicContact CG1-CD2 4.26Å; I88-F123 HydrophobicContact CG2-CD2 3.54Å; I88-F123 HydrophobicContact CG2-CE2 3.99Å; I88-M172 HydrophobicContact CD1-CE 4.34Å; I88-M172 HydrophobicContact CD1-SD 3.88Å; I88-M172 HydrophobicContact CG1-SD 4.17Å
89I98.5Very high97.6Very high3 Ų343 Ų432%0.01521%0.214CC..EExtended strand (participates in β ladder)trans-96116.1171.1-62.6-82000108.1V22 V87 V91 T102 L106 M109 L120 L121 I122 F123V22-I89 HydrophobicContact CB-CD1 4.46Å; V22-I89 HydrophobicContact CG2-CD1 3.39Å; V22-I89 HydrophobicContact CG2-CG1 4.2Å; V22-I89 WeakPolarHBondContact O-CA 3.26Å; V87-I89 HydrophobicContact CG1-CD1 4.18Å; V87-I89 HydrophobicContact CG1-CG1 4.08Å; I89-V91 HydrophobicContact CG2-CG2 3.99Å; I89-T102 HydrophobicContact CG2-CG2 4.12Å; I89-L106 HydrophobicContact CD1-CD1 4.3Å; I89-L106 HydrophobicContact CG1-CD1 4.13Å; I89-M109 HydrophobicContact CD1-SD 4Å; I89-L120 HydrophobicContact CG1-CD1 3.74Å; I89-L121 PolarHBondContact N-O 3.34Å; I89-I122 HydrophobicContact CB-CG1 4.47Å; I89-I122 CarbonylContact O-C 3.51Å; I89-I122 WeakPolarHBondContact O-CA 2.96Å; I89-F123 PolarHBondContact O-N 3.4Å
90V98.8Very high97.7Very high0 Ų041.3 Ų41.30%021%0.206CC..EExtended strand (participates in β ladder)trans-95.8122.2175.3-170.70000109.2I21 V22 A27 K29 I32 I88 N125I21-V90 HydrophobicContact CG2-CG2 3.69Å; V22-V90 PolarHBondContact O-N 3.44Å; A27-V90 HydrophobicContact CB-CB 4.31Å; A27-V90 HydrophobicContact CB-CG1 4.08Å; A27-V90 WeakPolarHBondContact CB-O 3.29Å; A27-V90 VanDerWaalsContact O-CG1 3.3Å; A27-V90 WeakPolarHBondContact O-CG1 3.44Å; K29-V90 HydrophobicContact CB-CG2 4.4Å; K29-V90 HydrophobicContact CG-CB 3.81Å; K29-V90 HydrophobicContact CG-CG2 3.81Å; I32-V90 HydrophobicContact CD1-CB 4.48Å; I32-V90 HydrophobicContact CD1-CG1 3.72Å; I32-V90 HydrophobicContact CD1-CG2 3.88Å; I88-V90 HydrophobicContact CG2-CG2 4.07Å; V90-N125 HydrophobicContact CG1-CB 3.88Å
91V98.8Very high97.8Very high1 Ų141.3 Ų41.31%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-110.2127.4-179.9-1750000109.1I89 S93 I99 T102 I122 F123 N125 I138 L142I89-V91 HydrophobicContact CG2-CG2 3.99Å; V91-S93 PolarHBondContact O-N 3.32Å; V91-I99 HydrophobicContact CG1-CD1 3.5Å; V91-I99 VanDerWaalsContact CG1-CD1 3.5Å; V91-T102 HydrophobicContact CG2-CG2 4.11Å; V91-I122 HydrophobicContact CG2-CG2 3.78Å; V91-F123 PolarHBondContact N-O 2.75Å; V91-N125 WeakPolarHBondContact O-CB 3.3Å; V91-N125 PolarHBondContact O-N 2.9Å; V91-I138 HydrophobicContact CG1-CD1 4.36Å; V91-I138 HydrophobicContact CG1-CG2 4.17Å; V91-I138 HydrophobicContact CG2-CG2 4.39Å; V91-L142 HydrophobicContact CG2-CD1 4.15Å
92D98.6Very high97.8Very high16 Ų1641.1 Ų41.19%0.08621%0.21CC..EExtended strand (participates in β ladder)trans-72.2106.9165.5-170.5-22.7000109.3A27 T94 D95 K126A27-D92 HydrophobicContact CB-CB 4.46Å; D92-T94 PolarHBondContact O-N 3.1Å; D92-T94 VanDerWaalsContact O-N 3.13Å; D92-T94 WeakPolarHBondContact OD1-CB 3.37Å; D92-T94 PolarHBondContact OD1-N 3.49Å; D92-T94 PolarHBondContact OD1-OG1 3.32Å; D92-T94 PolarHBondContact OD2-OG1 2.83Å; D92-D95 HydrophobicContact CB-CB 3.83Å; D92-D95 PolarHBondContact O-N 2.79Å; D92-D95 VanDerWaalsContact O-N 3.1Å; D92-K126 WeakPolarHBondContact OD1-CD 3.45Å; D92-K126 IonicContact OD1-NZ 3.21Å; D92-K126 WeakPolarHBondContact OD2-CE 3.27Å; D92-K126 IonicContact OD2-NZ 3.74Å; D92-K126 PolarHBondContact OD2-NZ 3.17Å
93S98.8Very high98Very high0 Ų040.6 Ų40.60%020%0.203CC..THydrogen-bonded Turntrans-66.2-15.5-178.6-52.80000112.6V91 A124 N125 Q127 C132 M133 I138V91-S93 PolarHBondContact O-N 3.32Å; S93-A124 VanDerWaalsContact OG-C 3.31Å; S93-N125 WeakPolarHBondContact CB-O 3.28Å; S93-N125 PolarHBondContact N-O 3.08Å; S93-N125 PolarHBondContact OG-N 3.45Å; S93-N125 PolarHBondContact OG-O 2.87Å; S93-Q127 PolarHBondContact OG-NE2 2.82Å; S93-C132 CarbonylContact O-C 3.52Å; S93-C132 WeakPolarHBondContact O-CA 3.38Å; S93-M133 WeakPolarHBondContact O-CB 3.41Å; S93-M133 WeakPolarHBondContact O-CE 3.43Å; S93-M133 PolarHBondContact O-N 3.27Å; S93-I138 WeakPolarHBondContact OG-CD1 3.41Å
94T98.5Very high98.2Very high60 Ų6039.8 Ų39.837%0.36819%0.194SC..THydrogen-bonded Turntrans-84.9-17.4177.672.30000112.4D92 R96 K126 V129 C132D92-T94 PolarHBondContact O-N 3.1Å; D92-T94 VanDerWaalsContact O-N 3.13Å; D92-T94 WeakPolarHBondContact OD1-CB 3.37Å; D92-T94 PolarHBondContact OD1-N 3.49Å; D92-T94 PolarHBondContact OD1-OG1 3.32Å; D92-T94 PolarHBondContact OD2-OG1 2.83Å; T94-R96 PolarHBondContact O-N 3.13Å; T94-K126 HydrophobicContact CG2-CB 4.25Å; T94-V129 HydrophobicContact CG2-CB 3.59Å; T94-V129 HydrophobicContact CG2-CG1 3.64Å; T94-V129 HydrophobicContact CG2-CG2 3.87Å; T94-C132 HydrophobicContact CG2-CB 4.09Å
95D98.1Very high98.2Very high30 Ų3040.2 Ų40.216%0.1620%0.196CC..  trans-9673.2-170.8-161-27.9000112.3D92 E97 R98 I99D92-D95 HydrophobicContact CB-CB 3.83Å; D92-D95 PolarHBondContact O-N 2.79Å; D92-D95 VanDerWaalsContact O-N 3.1Å; D95-E97 PolarHBondContact O-N 2.65Å; D95-R98 WeakPolarHBondContact OD1-CB 3.47Å; D95-R98 WeakPolarHBondContact OD1-CG 3.34Å; D95-R98 PolarHBondContact OD1-N 2.87Å; D95-R98 IonicContact OD1-NE 3.54Å; D95-R98 IonicContact OD2-CZ 2.73Å; D95-R98 IonicContact OD2-NE 3.99Å; D95-R98 PolarHBondContact OD2-NE 3.25Å; D95-R98 IonicContact OD2-NH2 3.51Å; D95-R98 PolarHBondContact OD2-NH2 3.31Å; D95-I99 PolarHBondContact O-N 2.68Å
96R98.1Very high98.3Very high115 Ų11538 Ų3843%0.43419%0.186SC..SBendtrans-64.4-29.2178.5-69.3178.1-176.5-93.20.6112.5T94 I99 G131 C132 M133 E137T94-R96 PolarHBondContact O-N 3.13Å; R96-I99 VanDerWaalsContact O-CG2 3.27Å; R96-I99 WeakPolarHBondContact O-CG2 3.31Å; R96-G131 PolarHBondContact NH2-O 2.87Å; R96-C132 PolarHBondContact NH2-O 3.05Å; R96-M133 HydrophobicContact CB-SD 4.45Å; R96-M133 HydrophobicContact CG-CE 4.1Å; R96-M133 HydrophobicContact CG-CG 3.57Å; R96-M133 HydrophobicContact CG-SD 3.72Å; R96-M133 VanDerWaalsContact CZ-CG 3.44Å; R96-E137 IonicContact CZ-OE1 2.9Å; R96-E137 IonicContact NH1-OE1 2.82Å; R96-E137 PolarHBondContact NH1-OE1 2.86Å; R96-E137 IonicContact NH2-OE1 3.75Å; R96-E137 PolarHBondContact NH2-OE1 3.06Å; R96-E137 IonicContact NH2-OE2 3.25Å
97E97.8Very high98.3Very high178 Ų17841.5 Ų41.583%0.83220%0.199SC*.SBendtrans-71.4-38.2-176.1-65.1-175.9176.600111.8D95D95-E97 PolarHBondContact O-N 2.65Å
98R98Very high98.2Very high71 Ų7148.1 Ų48.127%0.26822%0.224SC..SBendtrans-99.47.6-176.2-56.7-170.9-66.3159.24.4114.3L24 D25 D95 S100 V101 T102L24-R98 HydrophobicContact CD1-CB 3.54Å; D25-R98 PolarHBondContact O-NH2 3.09Å; D25-R98 IonicContact OD1-NH1 2.77Å; D25-R98 PolarHBondContact OD1-NH1 2.85Å; D25-R98 IonicContact OD2-CZ 3.55Å; D25-R98 IonicContact OD2-NH1 3.81Å; D25-R98 PolarHBondContact OD2-NH1 3.14Å; D25-R98 IonicContact OD2-NH2 3.29Å; D95-R98 WeakPolarHBondContact OD1-CB 3.47Å; D95-R98 WeakPolarHBondContact OD1-CG 3.34Å; D95-R98 PolarHBondContact OD1-N 2.87Å; D95-R98 IonicContact OD1-NE 3.54Å; D95-R98 IonicContact OD2-CZ 2.73Å; D95-R98 IonicContact OD2-NE 3.99Å; D95-R98 PolarHBondContact OD2-NE 3.25Å; D95-R98 IonicContact OD2-NH2 3.51Å; D95-R98 PolarHBondContact OD2-NH2 3.31Å; R98-S100 PolarHBondContact O-N 2.84Å; R98-V101 WeakPolarHBondContact O-CB 3.43Å; R98-V101 PolarHBondContact O-N 2.86Å; R98-V101 VanDerWaalsContact O-N 3.13Å; R98-T102 PolarHBondContact O-N 2.81Å; R98-T102 VanDerWaalsContact O-N 3.13Å; R98-T102 PolarHBondContact O-OG1 2.86Å
99I98.2Very high98.1Very high19 Ų1948.2 Ų48.210%0.09722%0.224CC..Hα-helixtrans-62-32.2177-163.959.4000112.5V91 D95 R96 T102 K103 M133 I138 L142V91-I99 HydrophobicContact CG1-CD1 3.5Å; V91-I99 VanDerWaalsContact CG1-CD1 3.5Å; D95-I99 PolarHBondContact O-N 2.68Å; R96-I99 VanDerWaalsContact O-CG2 3.27Å; R96-I99 WeakPolarHBondContact O-CG2 3.31Å; I99-T102 WeakPolarHBondContact O-CB 3.45Å; I99-T102 PolarHBondContact O-N 3.45Å; I99-K103 PolarHBondContact O-N 2.66Å; I99-M133 HydrophobicContact CB-CE 4.35Å; I99-M133 HydrophobicContact CD1-CE 4.2Å; I99-M133 HydrophobicContact CG1-CE 4.34Å; I99-M133 HydrophobicContact CG1-SD 4.33Å; I99-I138 HydrophobicContact CD1-CG2 4.46Å; I99-L142 HydrophobicContact CD1-CD2 3.92Å; I99-L142 HydrophobicContact CD1-CG 4.3Å; I99-L142 HydrophobicContact CG1-CD2 4.3Å
100S98.1Very high98Very high62 Ų6248.7 Ų48.743%0.43423%0.227SC..Hα-helixtrans-63.8-41174.252.10000112.1R98 T102 K103 E104R98-S100 PolarHBondContact O-N 2.84Å; S100-T102 VanDerWaalsContact C-N 3.33Å; S100-T102 PolarHBondContact O-N 2.97Å; S100-K103 WeakPolarHBondContact O-CB 3.44Å; S100-K103 PolarHBondContact O-N 3.25Å; S100-E104 WeakPolarHBondContact O-CG 3.35Å; S100-E104 PolarHBondContact O-N 2.8Å
101V98.1Very high97.9Very high40 Ų4052.7 Ų52.724%0.24226%0.259CS..Hα-helixtrans-63.5-42.5175.4-175.40000110.2L24 R98 K103 E104 E105L24-V101 HydrophobicContact CD1-CB 4.31Å; L24-V101 HydrophobicContact CD2-CG1 3.95Å; R98-V101 WeakPolarHBondContact O-CB 3.43Å; R98-V101 PolarHBondContact O-N 2.86Å; R98-V101 VanDerWaalsContact O-N 3.13Å; V101-K103 VanDerWaalsContact C-N 3.29Å; V101-K103 PolarHBondContact O-N 3.34Å; V101-E104 PolarHBondContact O-N 2.99Å; V101-E105 WeakPolarHBondContact O-CG 3.44Å; V101-E105 PolarHBondContact O-N 3.25Å
102T98.1Very high97.8Very high9 Ų955.4 Ų55.46%0.05527%0.272CS..Hα-helixtrans-59.6-41.6175-580000111.6L24 I89 V91 R98 I99 S100 L106 L142L24-T102 WeakPolarHBondContact CD1-OG1 3.33Å; L24-T102 WeakPolarHBondContact CG-OG1 3.42Å; I89-T102 HydrophobicContact CG2-CG2 4.12Å; V91-T102 HydrophobicContact CG2-CG2 4.11Å; R98-T102 PolarHBondContact O-N 2.81Å; R98-T102 VanDerWaalsContact O-N 3.13Å; R98-T102 PolarHBondContact O-OG1 2.86Å; I99-T102 WeakPolarHBondContact O-CB 3.45Å; I99-T102 PolarHBondContact O-N 3.45Å; S100-T102 VanDerWaalsContact C-N 3.33Å; S100-T102 PolarHBondContact O-N 2.97Å; T102-L106 VanDerWaalsContact O-CB 3.31Å; T102-L106 WeakPolarHBondContact O-CB 3.5Å; T102-L106 PolarHBondContact O-N 3.42Å; T102-L142 HydrophobicContact CG2-CD2 3.96Å
103K98.5Very high97.7Very high55 Ų5561.3 Ų61.324%0.23930%0.299CS..Hα-helixtrans-61-49.2174.6-176.3-166179.1-174.70111.3I99 S100 V101 E105 L106 Y107 S141 L142 Q143I99-K103 PolarHBondContact O-N 2.66Å; S100-K103 WeakPolarHBondContact O-CB 3.44Å; S100-K103 PolarHBondContact O-N 3.25Å; 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 3.47Å; K103-L106 WeakPolarHBondContact O-CB 3.28Å; K103-L106 PolarHBondContact O-N 3.23Å; K103-Y107 HydrophobicContact CG-CD2 3.86Å; K103-Y107 HydrophobicContact CG-CE2 3.86Å; K103-Y107 WeakPolarHBondContact O-CD2 3.46Å; K103-Y107 PolarHBondContact O-N 2.91Å; K103-S141 WeakPolarHBondContact CD-O 3.44Å; K103-L142 HydrophobicContact CB-CD2 3.91Å; K103-Q143 VanDerWaalsContact NZ-NE2 3.12Å
104E98.1Very high97.6Very high118 Ų11864.1 Ų64.155%0.55131%0.314SS*.Hα-helixtrans-57.9-45.9-179.9-73.4176.5-170.300111.9S100 V101 Y107 R108S100-E104 WeakPolarHBondContact O-CG 3.35Å; S100-E104 PolarHBondContact O-N 2.8Å; V101-E104 PolarHBondContact O-N 2.99Å; E104-Y107 PolarHBondContact O-N 3.41Å; E104-R108 WeakPolarHBondContact O-CB 3.21Å; E104-R108 PolarHBondContact O-N 3.24Å
105E97.9Very high97.6Very high17 Ų1761.2 Ų61.28%0.07930%0.296CS..Hα-helixtrans-65.4-42176.6-64.1-58.5159.700112W77 V101 K103 Y107 R108 M109W77-E105 HydrophobicContact CH2-CB 4.33Å; W77-E105 HydrophobicContact CH2-CG 4.47Å; W77-E105 HydrophobicContact CZ3-CB 3.84Å; W77-E105 HydrophobicContact CZ3-CG 4.3Å; V101-E105 WeakPolarHBondContact O-CG 3.44Å; V101-E105 PolarHBondContact O-N 3.25Å; K103-E105 VanDerWaalsContact C-N 3.33Å; K103-E105 PolarHBondContact O-N 3.47Å; E105-Y107 PolarHBondContact O-N 3.01Å; E105-R108 PolarHBondContact O-N 3.1Å; E105-R108 IonicContact OE1-CZ 3.59Å; E105-R108 IonicContact OE1-NH1 3.77Å; E105-R108 PolarHBondContact OE1-NH1 3.49Å; E105-R108 IonicContact OE1-NH2 3.32Å; E105-R108 IonicContact OE2-CZ 2.69Å; E105-R108 IonicContact OE2-NE 2.79Å; E105-R108 IonicContact OE2-NH1 3.81Å; E105-R108 PolarHBondContact OE2-NH1 3.04Å; E105-M109 VanDerWaalsContact O-CG 3.25Å; E105-M109 WeakPolarHBondContact O-CG 3.49Å; E105-M109 PolarHBondContact O-N 3.24Å
106L97.9Very high97.4Very high1 Ų166.2 Ų66.21%0.00532%0.317CS..Hα-helixtrans-53.9-53.1175.4170.663.8000111.3I89 T102 K103 R108 M109 L110 L120 L142 L144I89-L106 HydrophobicContact CD1-CD1 4.3Å; I89-L106 HydrophobicContact CG1-CD1 4.13Å; T102-L106 VanDerWaalsContact O-CB 3.31Å; T102-L106 WeakPolarHBondContact O-CB 3.5Å; T102-L106 PolarHBondContact O-N 3.42Å; K103-L106 WeakPolarHBondContact O-CB 3.28Å; K103-L106 PolarHBondContact O-N 3.23Å; L106-R108 VanDerWaalsContact C-N 3.35Å; L106-R108 PolarHBondContact O-N 3.21Å; L106-M109 WeakPolarHBondContact O-CB 3.41Å; L106-M109 PolarHBondContact O-N 2.96Å; L106-L110 HydrophobicContact CD1-CD1 3.83Å; L106-L110 HydrophobicContact CD1-CD2 4.45Å; L106-L110 HydrophobicContact CD1-CG 3.98Å; L106-L110 HydrophobicContact CG-CD1 4.12Å; L106-L110 WeakPolarHBondContact O-CG 3.43Å; L106-L110 PolarHBondContact O-N 3.23Å; L106-L120 HydrophobicContact CD1-CD1 3.92Å; L106-L120 HydrophobicContact CD1-CD2 3.8Å; L106-L142 HydrophobicContact CD2-CB 4.33Å; L106-L144 HydrophobicContact CD2-CD2 3.82Å
107Y97.9Very high97.1Very high73 Ų7369.5 Ų69.529%0.28633%0.334SS..Hα-helixtrans-70-32.3-178.3-80-87.9000112.7K103 E104 E105 M109 A111 L142 Q143 V147K103-Y107 HydrophobicContact CG-CD2 3.86Å; K103-Y107 HydrophobicContact CG-CE2 3.86Å; K103-Y107 WeakPolarHBondContact O-CD2 3.46Å; K103-Y107 PolarHBondContact O-N 2.91Å; E104-Y107 PolarHBondContact O-N 3.41Å; E105-Y107 PolarHBondContact O-N 3.01Å; Y107-M109 VanDerWaalsContact C-N 3.31Å; Y107-M109 PolarHBondContact O-N 2.83Å; Y107-A111 WeakPolarHBondContact O-CB 3.33Å; Y107-A111 PolarHBondContact O-N 3.01Å; Y107-A111 VanDerWaalsContact O-N 3.12Å; Y107-L142 WeakPolarHBondContact CE2-O 3.11Å; Y107-L142 PolarHBondContact OH-O 3.23Å; Y107-Q143 PolarHBondContact OH-O 2.6Å; Y107-V147 HydrophobicContact CE1-CG2 4.45Å
108R96.8Very high97.1Very high143 Ų14361.2 Ų61.254%0.5430%0.296SS..Hα-helixtrans-61.4-41.4171.8-173.2-174.6-63.2151.92.3111.3E104 E105 L106E104-R108 WeakPolarHBondContact O-CB 3.21Å; E104-R108 PolarHBondContact O-N 3.24Å; E105-R108 PolarHBondContact O-N 3.1Å; E105-R108 IonicContact OE1-CZ 3.59Å; E105-R108 IonicContact OE1-NH1 3.77Å; E105-R108 PolarHBondContact OE1-NH1 3.49Å; E105-R108 IonicContact OE1-NH2 3.32Å; E105-R108 IonicContact OE2-CZ 2.69Å; E105-R108 IonicContact OE2-NE 2.79Å; E105-R108 IonicContact OE2-NH1 3.81Å; E105-R108 PolarHBondContact OE2-NH1 3.04Å; L106-R108 VanDerWaalsContact C-N 3.35Å; L106-R108 PolarHBondContact O-N 3.21Å
109M96.7Very high97.1Very high2 Ų258 Ų581%0.0129%0.285CS..Hα-helixtrans-65.5-52.4175.9-71.4-175.560.400112I20 V22 W77 Y81 V87 I89 E105 L106 Y107 A111 H112 L115I20-M109 HydrophobicContact CD1-CE 3.78Å; V22-M109 HydrophobicContact CB-SD 4.35Å; V22-M109 HydrophobicContact CG1-CE 4.35Å; V22-M109 HydrophobicContact CG2-CE 3.72Å; V22-M109 HydrophobicContact CG2-SD 3.84Å; W77-M109 HydrophobicContact CE3-CG 4.15Å; W77-M109 HydrophobicContact CE3-SD 3.52Å; W77-M109 VanDerWaalsContact CE3-SD 3.52Å; W77-M109 HydrophobicContact CZ3-SD 3.68Å; Y81-M109 HydrophobicContact CE1-CE 3.81Å; Y81-M109 WeakPolarHBondContact OH-CG 3.49Å; V87-M109 HydrophobicContact CG1-CE 3.54Å; V87-M109 HydrophobicContact CG2-CE 4.37Å; I89-M109 HydrophobicContact CD1-SD 4Å; E105-M109 VanDerWaalsContact O-CG 3.25Å; E105-M109 WeakPolarHBondContact O-CG 3.49Å; E105-M109 PolarHBondContact O-N 3.24Å; L106-M109 WeakPolarHBondContact O-CB 3.41Å; L106-M109 PolarHBondContact O-N 2.96Å; Y107-M109 VanDerWaalsContact C-N 3.31Å; Y107-M109 PolarHBondContact O-N 2.83Å; M109-A111 PolarHBondContact O-N 3.34Å; M109-H112 VanDerWaalsContact O-CB 3.27Å; M109-H112 WeakPolarHBondContact O-CB 3.08Å; M109-H112 PolarHBondContact O-N 2.89Å; M109-L115 HydrophobicContact CB-CD1 4.06Å; M109-L115 HydrophobicContact CE-CD1 3.9Å
110L95.9Very high97.1Very high13 Ų1357.2 Ų57.27%0.06828%0.281CS..Hα-helixtrans-62.8-25.9-176.4-64.1-179.4000112.8L106 H112 L120 V147L106-L110 HydrophobicContact CD1-CD1 3.83Å; L106-L110 HydrophobicContact CD1-CD2 4.45Å; L106-L110 HydrophobicContact CD1-CG 3.98Å; L106-L110 HydrophobicContact CG-CD1 4.12Å; L106-L110 WeakPolarHBondContact O-CG 3.43Å; L106-L110 PolarHBondContact O-N 3.23Å; L110-H112 PolarHBondContact O-N 3.29Å; L110-L120 HydrophobicContact CD1-CD2 4.26Å; L110-L120 HydrophobicContact CD2-CD2 4.43Å; L110-V147 HydrophobicContact CD1-CG1 3.92Å; L110-V147 HydrophobicContact CD1-CG2 3.82Å
111A96.3Very high97.1Very high83 Ų8354.2 Ų54.269%0.68626%0.26SS*.THydrogen-bonded Turntrans-69.6-16.1173.900000114Y107 M109Y107-A111 WeakPolarHBondContact O-CB 3.33Å; Y107-A111 PolarHBondContact O-N 3.01Å; Y107-A111 VanDerWaalsContact O-N 3.12Å; M109-A111 PolarHBondContact O-N 3.34Å
112H97.7Very high97.1Very high58 Ų5852.3 Ų52.327%0.26925%0.249SC..SBendtrans-77.6134.1-176.8-162.3-79.3000111.9Y81 M109 L110 D114 L115Y81-H112 HydrophobicContact CD2-CB 3.79Å; Y81-H112 AromaticContact CD2-CD2 3.91Å; Y81-H112 AromaticContact CD2-CG 3.52Å; Y81-H112 AromaticContact CD2-ND1 3.63Å; Y81-H112 HydrophobicContact CE2-CB 3.91Å; Y81-H112 AromaticContact CE2-CG 3.91Å; M109-H112 VanDerWaalsContact O-CB 3.27Å; M109-H112 WeakPolarHBondContact O-CB 3.08Å; M109-H112 PolarHBondContact O-N 2.89Å; L110-H112 PolarHBondContact O-N 3.29Å; H112-D114 VanDerWaalsContact C-N 3.33Å; H112-D114 IonicContact CE1-OD2 2.68Å; H112-D114 PolarHBondContact ND1-N 3.47Å; H112-D114 PolarHBondContact O-N 3.44Å; H112-L115 PolarHBondContact O-N 3.26Å
113E96.2Very high97.2Very high140 Ų14051.9 Ų51.965%0.65425%0.246SC*.G310 helixtrans-61.7-37.1-17263.3-176.2175.900114.3L115 K116E113-L115 PolarHBondContact O-N 3.45Å; E113-K116 WeakPolarHBondContact O-CB 3.23Å; E113-K116 WeakPolarHBondContact O-CG 3.11Å; E113-K116 PolarHBondContact O-N 3.29Å
114D97Very high97.2Very high59 Ų5949.3 Ų49.332%0.31624%0.235SC..G310 helixtrans-61-22.8176.9-77.8-8.7000113.9T82 H112T82-D114 WeakPolarHBondContact CA-OD2 3.44Å; T82-D114 PolarHBondContact N-OD2 3.37Å; T82-D114 PolarHBondContact OG1-OD2 2.86Å; H112-D114 VanDerWaalsContact C-N 3.33Å; H112-D114 IonicContact CE1-OD2 2.68Å; H112-D114 PolarHBondContact ND1-N 3.47Å; H112-D114 PolarHBondContact O-N 3.44Å
115L97.6Very high97.2Very high0 Ų043.8 Ų43.80%021%0.209CC..G310 helixtrans-95.7-7.5-179.1-67.3-177.3000113.5I20 Y81 T84 V87 M109 H112 E113 K117 A118 H150I20-L115 HydrophobicContact CD1-CD2 4.45Å; Y81-L115 HydrophobicContact CD1-CD1 3.81Å; Y81-L115 HydrophobicContact CD1-CD2 4.19Å; Y81-L115 HydrophobicContact CD1-CG 4.17Å; Y81-L115 HydrophobicContact CD2-CD1 3.86Å; Y81-L115 HydrophobicContact CD2-CG 4Å; Y81-L115 HydrophobicContact CE1-CD1 4.01Å; Y81-L115 HydrophobicContact CE2-CD1 4.05Å; Y81-L115 HydrophobicContact CG-CD1 3.76Å; Y81-L115 HydrophobicContact CG-CD2 4.04Å; Y81-L115 HydrophobicContact CG-CG 3.75Å; T84-L115 HydrophobicContact CG2-CD2 3.96Å; V87-L115 HydrophobicContact CG2-CD1 4.13Å; V87-L115 HydrophobicContact CG2-CD2 3.87Å; M109-L115 HydrophobicContact CB-CD1 4.06Å; M109-L115 HydrophobicContact CE-CD1 3.9Å; H112-L115 PolarHBondContact O-N 3.26Å; E113-L115 PolarHBondContact O-N 3.45Å; L115-K117 PolarHBondContact O-N 3Å; L115-A118 HydrophobicContact CD2-CB 4.21Å; L115-A118 VanDerWaalsContact O-CB 3.3Å; L115-A118 WeakPolarHBondContact O-CB 3.46Å; L115-A118 PolarHBondContact O-N 3.19Å; L115-H150 PolarHBondContact O-CE1 2.93Å
116K94.2Very high97.3Very high135 Ų13545.5 Ų45.559%0.58722%0.216SC*.THydrogen-bonded Turntrans-48.5-24.4-173-82.7178.9175.1174.20116.6E113E113-K116 WeakPolarHBondContact O-CB 3.23Å; E113-K116 WeakPolarHBondContact O-CG 3.11Å; E113-K116 PolarHBondContact O-N 3.29Å
117K92.2Very high97.3Very high184 Ų18448.2 Ų48.280%0.823%0.229SC*.THydrogen-bonded Turntrans-107.1-6.6-179.7-65.1-178.4179.8178.10113.6L115 R179L115-K117 PolarHBondContact O-N 3Å; K117-R179 PolarHBondContact O-NH2 3.21Å
118A97.3Very high97.3Very high4 Ų449.2 Ų49.23%0.03324%0.239CC..  trans-69.2137.6-174.800000111.1E85 V87 L115 H150E85-A118 CarbonylContact O-C 3.56Å; E85-A118 VanDerWaalsContact O-CA 3.23Å; E85-A118 WeakPolarHBondContact O-CA 3.43Å; V87-A118 HydrophobicContact CG2-CB 4.11Å; L115-A118 HydrophobicContact CD2-CB 4.21Å; L115-A118 VanDerWaalsContact O-CB 3.3Å; L115-A118 WeakPolarHBondContact O-CB 3.46Å; L115-A118 PolarHBondContact O-N 3.19Å; A118-H150 PolarHBondContact O-ND1 3.29Å
119G98Very high97.4Very high4 Ų445.2 Ų45.24%0.04123%0.231CC..EExtended strand (participates in β ladder)trans-73.6147.3166.900000110.6E85 F86 V87E85-G119 PolarHBondContact O-N 2.99Å; F86-G119 CarbonylContact C-O 3.54Å; F86-G119 VanDerWaalsContact CA-O 3.26Å; F86-G119 WeakPolarHBondContact CA-O 3.4Å; V87-G119 PolarHBondContact N-O 3.43Å
120L98.5Very high97.4Very high1 Ų155.1 Ų55.11%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-114.4110.7-177.7178.269.1000111V87 I89 L106 L110 I122 Q151 W152 H153 W171V87-L120 HydrophobicContact CB-CD1 4.12Å; V87-L120 HydrophobicContact CG1-CD1 4.17Å; I89-L120 HydrophobicContact CG1-CD1 3.74Å; L106-L120 HydrophobicContact CD1-CD1 3.92Å; L106-L120 HydrophobicContact CD1-CD2 3.8Å; L110-L120 HydrophobicContact CD1-CD2 4.26Å; L110-L120 HydrophobicContact CD2-CD2 4.43Å; L120-I122 HydrophobicContact CD2-CD1 3.85Å; L120-I122 HydrophobicContact CG-CD1 3.72Å; L120-I122 HydrophobicContact CG-CG1 4.33Å; L120-Q151 PolarHBondContact N-O 3.26Å; L120-W152 HydrophobicContact CB-CB 3.88Å; L120-W152 HydrophobicContact CD2-CB 4.11Å; L120-W152 HydrophobicContact CG-CB 4.27Å; L120-W152 CarbonylContact O-C 3.52Å; L120-W152 WeakPolarHBondContact O-CA 3.45Å; L120-W152 WeakPolarHBondContact O-CB 3.49Å; L120-H153 PolarHBondContact O-N 3.01Å; L120-W171 WeakPolarHBondContact O-CH2 3.5Å
121L98.7Very high97.4Very high0 Ų057.5 Ų57.50%030%0.302CS..EExtended strand (participates in β ladder)trans-101.1127.7170.5178.161.6000109.4V87 I88 I89 F123 H153 Q155 W171 M172V87-L121 PolarHBondContact O-N 3.42Å; I88-L121 CarbonylContact C-O 3.57Å; I88-L121 VanDerWaalsContact CA-O 3.29Å; I88-L121 WeakPolarHBondContact CA-O 3.41Å; I88-L121 HydrophobicContact CD1-CD2 4.36Å; I88-L121 HydrophobicContact CG1-CB 4.29Å; I88-L121 HydrophobicContact CG1-CD2 4.26Å; I89-L121 PolarHBondContact N-O 3.34Å; L121-F123 HydrophobicContact CD2-CD2 4.33Å; L121-F123 HydrophobicContact CD2-CE1 4.39Å; L121-F123 HydrophobicContact CD2-CE2 3.71Å; L121-F123 HydrophobicContact CD2-CZ 3.74Å; L121-F123 HydrophobicContact CG-CE2 4.42Å; L121-H153 HydrophobicContact CD1-CB 4.21Å; L121-Q155 HydrophobicContact CD1-CB 4.42Å; L121-W171 HydrophobicContact CB-CE3 4.18Å; L121-W171 HydrophobicContact CB-CZ3 3.89Å; L121-W171 HydrophobicContact CD1-CE3 4.12Å; L121-M172 HydrophobicContact CD2-CG 4.06Å; L121-M172 HydrophobicContact CD2-SD 3.66Å
122I98.8Very high97.5Very high0 Ų054.6 Ų54.60%028%0.276CS..EExtended strand (participates in β ladder)trans-107.8118.1173.7-55.387.1000108.1I89 V91 L120 L142 L144 W152 H153 I154 Q155I89-I122 HydrophobicContact CB-CG1 4.47Å; I89-I122 CarbonylContact O-C 3.51Å; I89-I122 WeakPolarHBondContact O-CA 2.96Å; V91-I122 HydrophobicContact CG2-CG2 3.78Å; L120-I122 HydrophobicContact CD2-CD1 3.85Å; L120-I122 HydrophobicContact CG-CD1 3.72Å; L120-I122 HydrophobicContact CG-CG1 4.33Å; I122-L142 HydrophobicContact CG2-CD1 4.2Å; I122-L144 HydrophobicContact CD1-CD1 3.8Å; I122-L144 HydrophobicContact CD1-CD2 4.04Å; I122-L144 HydrophobicContact CG1-CD1 4.11Å; I122-L144 HydrophobicContact CG1-CD2 4.24Å; I122-W152 HydrophobicContact CD1-CB 4.39Å; I122-W152 HydrophobicContact CD1-CE3 4.47Å; I122-H153 VanDerWaalsContact CD1-O 3.27Å; I122-H153 WeakPolarHBondContact CD1-O 3.5Å; I122-H153 PolarHBondContact N-O 3.21Å; I122-I154 HydrophobicContact CB-CB 4.12Å; I122-I154 HydrophobicContact CB-CD1 4.4Å; I122-I154 HydrophobicContact CB-CG1 3.92Å; I122-I154 HydrophobicContact CG2-CD1 4.05Å; I122-I154 HydrophobicContact CG2-CG1 3.98Å; I122-I154 CarbonylContact O-C 3.54Å; I122-I154 WeakPolarHBondContact O-CA 3.18Å; I122-Q155 PolarHBondContact O-N 3.15Å
123F98.9Very high97.6Very high0 Ų052 Ų520%026%0.264CS..EExtended strand (participates in β ladder)trans-91.3110.5167.2-83.5-52.7000109.6I32 F36 I88 I89 V91 L121 N125 Q155 C157 L165I32-F123 HydrophobicContact CD1-CB 4.14Å; I32-F123 HydrophobicContact CD1-CD2 3.92Å; I32-F123 HydrophobicContact CD1-CG 4.16Å; I32-F123 HydrophobicContact CG2-CD2 4.43Å; I32-F123 HydrophobicContact CG2-CE2 4.25Å; F36-F123 HydrophobicContact CE2-CE2 4.46Å; F36-F123 HydrophobicContact CZ-CE2 4.06Å; F36-F123 HydrophobicContact CZ-CZ 4.1Å; I88-F123 HydrophobicContact CG2-CD2 3.54Å; I88-F123 HydrophobicContact CG2-CE2 3.99Å; I89-F123 PolarHBondContact O-N 3.4Å; V91-F123 PolarHBondContact N-O 2.75Å; L121-F123 HydrophobicContact CD2-CD2 4.33Å; L121-F123 HydrophobicContact CD2-CE1 4.39Å; L121-F123 HydrophobicContact CD2-CE2 3.71Å; L121-F123 HydrophobicContact CD2-CZ 3.74Å; L121-F123 HydrophobicContact CG-CE2 4.42Å; F123-N125 VanDerWaalsContact C-N 3.3Å; F123-N125 PolarHBondContact O-N 2.81Å; F123-N125 VanDerWaalsContact O-N 3.1Å; F123-Q155 HydrophobicContact CD1-CB 3.98Å; F123-Q155 HydrophobicContact CD1-CG 4.2Å; F123-Q155 HydrophobicContact CE1-CB 4.02Å; F123-Q155 HydrophobicContact CE1-CG 3.91Å; F123-C157 HydrophobicContact CD1-CB 3.87Å; F123-C157 VanDerWaalsContact CD1-SG 3.53Å; F123-C157 HydrophobicContact CE1-CB 4.28Å; F123-L165 HydrophobicContact CD1-CD2 4.13Å; F123-L165 HydrophobicContact CD2-CD2 4.49Å; F123-L165 HydrophobicContact CE1-CD2 3.81Å; F123-L165 HydrophobicContact CE2-CD2 4.19Å; F123-L165 HydrophobicContact CG-CD2 4.48Å; F123-L165 HydrophobicContact CZ-CD2 3.84Å
124A98.8Very high97.7Very high0 Ų047.6 Ų47.60%025%0.248CC..EExtended strand (participates in β ladder)trans-77.685.5164.900000107.7S93 Q127 V135 I138 I154 Q155 C157S93-A124 VanDerWaalsContact OG-C 3.31Å; A124-Q127 WeakPolarHBondContact O-CG 3.25Å; A124-V135 HydrophobicContact CB-CG2 4.19Å; A124-I138 HydrophobicContact CB-CD1 3.52Å; A124-I154 HydrophobicContact CB-CD1 4.47Å; A124-I154 HydrophobicContact CB-CG1 4.45Å; A124-Q155 PolarHBondContact N-O 3.02Å; A124-C157 PolarHBondContact O-N 2.65Å
125N98.8Very high97.8Very high3 Ų346.7 Ų46.72%0.01625%0.245CC..EExtended strand (participates in β ladder)trans-86.9162-171.3-170.633000112.2A27 V90 V91 S93 F123 C157 A159A27-N125 PolarHBondContact O-ND2 2.88Å; V90-N125 HydrophobicContact CG1-CB 3.88Å; V91-N125 WeakPolarHBondContact O-CB 3.3Å; V91-N125 PolarHBondContact O-N 2.9Å; S93-N125 WeakPolarHBondContact CB-O 3.28Å; S93-N125 PolarHBondContact N-O 3.08Å; S93-N125 PolarHBondContact OG-N 3.45Å; S93-N125 PolarHBondContact OG-O 2.87Å; F123-N125 VanDerWaalsContact C-N 3.3Å; F123-N125 PolarHBondContact O-N 2.81Å; F123-N125 VanDerWaalsContact O-N 3.1Å; N125-C157 CarbonylContact C-O 3.53Å; N125-C157 WeakPolarHBondContact CA-O 3.48Å; N125-C157 VanDerWaalsContact CA-SG 3.57Å; N125-A159 WeakPolarHBondContact OD1-CB 3.48Å; N125-A159 PolarHBondContact OD1-N 3.31Å
126K98.5Very high97.8Very high53 Ų5350 Ų5023%0.2327%0.272CS..  trans67.534.8-177.9-44.9-167.7-166.8173.90113.8N26 D92 T94 D128 V129 C157N26-K126 VanDerWaalsContact O-CE 3.28Å; N26-K126 WeakPolarHBondContact O-CE 3.43Å; N26-K126 PolarHBondContact O-NZ 2.83Å; D92-K126 WeakPolarHBondContact OD1-CD 3.45Å; D92-K126 IonicContact OD1-NZ 3.21Å; D92-K126 WeakPolarHBondContact OD2-CE 3.27Å; D92-K126 IonicContact OD2-NZ 3.74Å; D92-K126 PolarHBondContact OD2-NZ 3.17Å; T94-K126 HydrophobicContact CG2-CB 4.25Å; K126-D128 VanDerWaalsContact C-OD1 3.3Å; K126-D128 VanDerWaalsContact CA-OD1 3.28Å; K126-D128 WeakPolarHBondContact CA-OD1 3.35Å; K126-D128 PolarHBondContact O-N 2.8Å; K126-V129 HydrophobicContact CB-CG2 4.17Å; K126-V129 PolarHBondContact O-N 2.79Å; K126-V129 VanDerWaalsContact O-N 3.17Å; K126-C157 PolarHBondContact N-O 3.01Å
127Q98.6Very high98Very high58 Ų5846.9 Ų46.927%0.27126%0.26SS..THydrogen-bonded Turntrans-69-11.2177.3-70.2-74-53.300113.3S93 A124 V129 M133 A156 C157S93-Q127 PolarHBondContact OG-NE2 2.82Å; A124-Q127 WeakPolarHBondContact O-CG 3.25Å; Q127-V129 PolarHBondContact O-N 3.14Å; Q127-M133 PolarHBondContact NE2-O 3.19Å; Q127-A156 HydrophobicContact CG-CB 3.95Å; Q127-C157 PolarHBondContact N-O 3.25Å
128D97.9Very high98.3Very high93 Ų9338.1 Ų38.150%0.49722%0.222SC..THydrogen-bonded Turntrans-68.1-19.8170.158-69.8000113.2K126 C158K126-D128 VanDerWaalsContact C-OD1 3.3Å; K126-D128 VanDerWaalsContact CA-OD1 3.28Å; K126-D128 WeakPolarHBondContact CA-OD1 3.35Å; K126-D128 PolarHBondContact O-N 2.8Å; D128-C158 HydrophobicContact CB-CB 4.45Å; D128-C158 VanDerWaalsContact CG-SG 3.56Å; D128-C158 PolarHBondContact OD1-SG 3.19Å
129V98.1Very high98.4Very high60 Ų6038.9 Ų38.936%0.36423%0.227SC..SBendtrans-83.4123.4-176.2-176.20000111.2T94 K126 Q127 G131 C132T94-V129 HydrophobicContact CG2-CB 3.59Å; T94-V129 HydrophobicContact CG2-CG1 3.64Å; T94-V129 HydrophobicContact CG2-CG2 3.87Å; K126-V129 HydrophobicContact CB-CG2 4.17Å; K126-V129 PolarHBondContact O-N 2.79Å; K126-V129 VanDerWaalsContact O-N 3.17Å; Q127-V129 PolarHBondContact O-N 3.14Å; V129-G131 PolarHBondContact O-N 3.21Å; V129-C132 WeakPolarHBondContact O-CB 3.36Å; V129-C132 PolarHBondContact O-N 3.2Å; V129-C132 PolarHBondContact O-SG 3.18Å
130K97.4Very high98.4Very high210 Ų21046 Ų4691%0.91326%0.259SS*.THydrogen-bonded Turntrans-59.6128.7176.7-174.9176.9178.9179.70111.2
131G96.8Very high98.4Very high63 Ų6348.3 Ų48.365%0.64928%0.275SS*.THydrogen-bonded Turntrans85.53.9178.400000114.7R96 V129R96-G131 PolarHBondContact NH2-O 2.87Å; V129-G131 PolarHBondContact O-N 3.21Å
132C98.3Very high98.4Very high21 Ų2148.3 Ų48.314%0.14228%0.275CS..PPolyproline II helixtrans-58.5160.2169.468.90000111.7S93 T94 R96 V129S93-C132 CarbonylContact O-C 3.52Å; S93-C132 WeakPolarHBondContact O-CA 3.38Å; T94-C132 HydrophobicContact CG2-CB 4.09Å; R96-C132 PolarHBondContact NH2-O 3.05Å; V129-C132 WeakPolarHBondContact O-CB 3.36Å; V129-C132 PolarHBondContact O-N 3.2Å; V129-C132 PolarHBondContact O-SG 3.18Å
133M98.8Very high98.4Very high3 Ų352.4 Ų52.42%0.01529%0.294CS..PPolyproline II helixtrans-63.6133.8171-67.8178.7-78.700110S93 R96 I99 Q127 E137 I138S93-M133 WeakPolarHBondContact O-CB 3.41Å; S93-M133 WeakPolarHBondContact O-CE 3.43Å; S93-M133 PolarHBondContact O-N 3.27Å; R96-M133 HydrophobicContact CB-SD 4.45Å; R96-M133 HydrophobicContact CG-CE 4.1Å; R96-M133 HydrophobicContact CG-CG 3.57Å; R96-M133 HydrophobicContact CG-SD 3.72Å; R96-M133 VanDerWaalsContact CZ-CG 3.44Å; I99-M133 HydrophobicContact CB-CE 4.35Å; I99-M133 HydrophobicContact CD1-CE 4.2Å; I99-M133 HydrophobicContact CG1-CE 4.34Å; I99-M133 HydrophobicContact CG1-SD 4.33Å; Q127-M133 PolarHBondContact NE2-O 3.19Å; M133-E137 WeakPolarHBondContact CA-OE2 3.38Å; M133-E137 HydrophobicContact CB-CB 4.19Å; M133-I138 HydrophobicContact CB-CD1 4.02Å; M133-I138 HydrophobicContact CB-CG1 3.66Å; M133-I138 HydrophobicContact CE-CG1 4.3Å; M133-I138 HydrophobicContact SD-CG1 4.18Å
134S98.6Very high98.4Very high48 Ų4852.4 Ų52.434%0.33629%0.294SS..PPolyproline II helixtrans-65.1159.1166.263.50000111.2A136 E137 I138S134-A136 PolarHBondContact O-N 2.94Å; S134-E137 WeakPolarHBondContact CB-OE2 3.46Å; S134-E137 PolarHBondContact N-OE2 3.18Å; S134-E137 PolarHBondContact O-N 2.69Å; S134-E137 VanDerWaalsContact O-N 3.12Å; S134-E137 WeakPolarHBondContact OG-CG 3.36Å; S134-E137 PolarHBondContact OG-N 3.43Å; S134-E137 PolarHBondContact OG-OE2 3.45Å; S134-I138 PolarHBondContact O-N 3.3Å
135V98.6Very high98.3Very high41 Ų4156.7 Ų56.725%0.24832%0.321CS..Hα-helixtrans-53-38.6172.6174.70000111.9A124 I138 S139 I154 A156A124-V135 HydrophobicContact CB-CG2 4.19Å; V135-I138 PolarHBondContact O-N 3.12Å; V135-S139 VanDerWaalsContact O-CB 3.3Å; V135-S139 WeakPolarHBondContact O-CB 3.49Å; V135-S139 PolarHBondContact O-N 2.84Å; V135-I154 HydrophobicContact CG1-CB 4.36Å; V135-I154 HydrophobicContact CG1-CD1 3.92Å; V135-I154 HydrophobicContact CG1-CG1 3.9Å; V135-I154 HydrophobicContact CG1-CG2 3.62Å; V135-A156 HydrophobicContact CG2-CB 3.58Å
136A98.6Very high98.3Very high69 Ų6960 Ų6057%0.5734%0.344SS*.Hα-helixtrans-65.8-44.8178.500000112S134 I138 S139 Q140S134-A136 PolarHBondContact O-N 2.94Å; A136-I138 PolarHBondContact O-N 2.89Å; A136-S139 PolarHBondContact O-N 3.49Å; A136-Q140 WeakPolarHBondContact O-CB 3.44Å; A136-Q140 PolarHBondContact O-N 2.73Å
137E98.6Very high98.2Very high69 Ų6957.7 Ų57.732%0.32233%0.334SS..Hα-helixtrans-61.8-41.9175.9-74.6167.2107.100111.8R96 M133 S134 Q140 S141R96-E137 IonicContact CZ-OE1 2.9Å; R96-E137 IonicContact NH1-OE1 2.82Å; R96-E137 PolarHBondContact NH1-OE1 2.86Å; R96-E137 IonicContact NH2-OE1 3.75Å; R96-E137 PolarHBondContact NH2-OE1 3.06Å; R96-E137 IonicContact NH2-OE2 3.25Å; M133-E137 WeakPolarHBondContact CA-OE2 3.38Å; M133-E137 HydrophobicContact CB-CB 4.19Å; S134-E137 WeakPolarHBondContact CB-OE2 3.46Å; S134-E137 PolarHBondContact N-OE2 3.18Å; S134-E137 PolarHBondContact O-N 2.69Å; S134-E137 VanDerWaalsContact O-N 3.12Å; S134-E137 WeakPolarHBondContact OG-CG 3.36Å; S134-E137 PolarHBondContact OG-N 3.43Å; S134-E137 PolarHBondContact OG-OE2 3.45Å; E137-Q140 PolarHBondContact O-N 2.98Å; E137-S141 VanDerWaalsContact O-CB 3.28Å; E137-S141 WeakPolarHBondContact O-CB 3.13Å; E137-S141 PolarHBondContact O-N 3.32Å; E137-S141 PolarHBondContact O-OG 2.92Å
138I98.8Very high98.1Very high0 Ų063.2 Ų63.20%036%0.357CS..Hα-helixtrans-65.5-47.7177.2-66.5167.7000110.2V91 S93 I99 A124 M133 S134 V135 A136 Q140 S141 L142 I154V91-I138 HydrophobicContact CG1-CD1 4.36Å; V91-I138 HydrophobicContact CG1-CG2 4.17Å; V91-I138 HydrophobicContact CG2-CG2 4.39Å; S93-I138 WeakPolarHBondContact OG-CD1 3.41Å; I99-I138 HydrophobicContact CD1-CG2 4.46Å; A124-I138 HydrophobicContact CB-CD1 3.52Å; M133-I138 HydrophobicContact CB-CD1 4.02Å; M133-I138 HydrophobicContact CB-CG1 3.66Å; M133-I138 HydrophobicContact CE-CG1 4.3Å; M133-I138 HydrophobicContact SD-CG1 4.18Å; S134-I138 PolarHBondContact O-N 3.3Å; V135-I138 PolarHBondContact O-N 3.12Å; A136-I138 PolarHBondContact O-N 2.89Å; I138-Q140 VanDerWaalsContact C-N 3.29Å; I138-Q140 PolarHBondContact O-N 2.79Å; I138-S141 PolarHBondContact O-N 2.83Å; I138-L142 HydrophobicContact CG2-CD1 3.78Å; I138-L142 HydrophobicContact CG2-CG 4.2Å; I138-L142 WeakPolarHBondContact O-CB 3.36Å; I138-L142 WeakPolarHBondContact O-CG 3.35Å; I138-L142 PolarHBondContact O-N 3.49Å; I138-I154 HydrophobicContact CB-CD1 4.1Å; I138-I154 HydrophobicContact CG2-CD1 3.75Å
139S98.7Very high97.9Very high20 Ų2064.1 Ų64.114%0.1436%0.362CS..Hα-helixtrans-57.6-43.2178.1-175.20000111.9V135 A136 Q143 L144V135-S139 VanDerWaalsContact O-CB 3.3Å; V135-S139 WeakPolarHBondContact O-CB 3.49Å; V135-S139 PolarHBondContact O-N 2.84Å; A136-S139 PolarHBondContact O-N 3.49Å; S139-Q143 PolarHBondContact O-N 2.85Å; S139-L144 PolarHBondContact O-N 3.24Å
140Q98.6Very high97.8Very high154 Ų15461.8 Ų61.872%0.7235%0.347SS*.Hα-helixtrans-65.8-45.5175.6-176.3177.7-1.700112A136 E137 I138 L142 Q143A136-Q140 WeakPolarHBondContact O-CB 3.44Å; A136-Q140 PolarHBondContact O-N 2.73Å; E137-Q140 PolarHBondContact O-N 2.98Å; I138-Q140 VanDerWaalsContact C-N 3.29Å; I138-Q140 PolarHBondContact O-N 2.79Å; Q140-L142 PolarHBondContact O-N 2.89Å; Q140-Q143 WeakPolarHBondContact O-CG 3.04Å; Q140-Q143 PolarHBondContact O-N 2.87Å
141S98.5Very high97.8Very high49 Ų4958 Ų5834%0.34333%0.333SS..Hα-helixtrans-64.2-41.5-178.4-60.50000111.9K103 E137 I138 Q143K103-S141 WeakPolarHBondContact CD-O 3.44Å; E137-S141 VanDerWaalsContact O-CB 3.28Å; E137-S141 WeakPolarHBondContact O-CB 3.13Å; E137-S141 PolarHBondContact O-N 3.32Å; E137-S141 PolarHBondContact O-OG 2.92Å; I138-S141 PolarHBondContact O-N 2.83Å; S141-Q143 VanDerWaalsContact C-N 3.25Å; S141-Q143 PolarHBondContact O-N 2.86Å
142L98.6Very high97.9Very high0 Ų058.7 Ų58.70%032%0.316CS..THydrogen-bonded Turntrans-78.2-8.6174.9-61.4-177.7000113.1V91 I99 T102 K103 L106 Y107 I122 I138 Q140 L144V91-L142 HydrophobicContact CG2-CD1 4.15Å; I99-L142 HydrophobicContact CD1-CD2 3.92Å; I99-L142 HydrophobicContact CD1-CG 4.3Å; I99-L142 HydrophobicContact CG1-CD2 4.3Å; T102-L142 HydrophobicContact CG2-CD2 3.96Å; K103-L142 HydrophobicContact CB-CD2 3.91Å; L106-L142 HydrophobicContact CD2-CB 4.33Å; Y107-L142 WeakPolarHBondContact CE2-O 3.11Å; Y107-L142 PolarHBondContact OH-O 3.23Å; I122-L142 HydrophobicContact CG2-CD1 4.2Å; I138-L142 HydrophobicContact CG2-CD1 3.78Å; I138-L142 HydrophobicContact CG2-CG 4.2Å; I138-L142 WeakPolarHBondContact O-CB 3.36Å; I138-L142 WeakPolarHBondContact O-CG 3.35Å; I138-L142 PolarHBondContact O-N 3.49Å; Q140-L142 PolarHBondContact O-N 2.89Å; L142-L144 VanDerWaalsContact C-N 3.3Å; L142-L144 HydrophobicContact CB-CD2 3.75Å; L142-L144 HydrophobicContact CB-CG 3.94Å; L142-L144 HydrophobicContact CD1-CD2 4.22Å; L142-L144 PolarHBondContact O-N 2.98Å
143Q98.4Very high97.9Very high86 Ų8660.3 Ų60.340%0.40232%0.321SS..THydrogen-bonded Turntrans53.743.2-176.3-61.4-179.8-15.600112.8K103 Y107 S139 Q140 S141 T145 S146K103-Q143 VanDerWaalsContact NZ-NE2 3.12Å; Y107-Q143 PolarHBondContact OH-O 2.6Å; S139-Q143 PolarHBondContact O-N 2.85Å; Q140-Q143 WeakPolarHBondContact O-CG 3.04Å; Q140-Q143 PolarHBondContact O-N 2.87Å; S141-Q143 VanDerWaalsContact C-N 3.25Å; S141-Q143 PolarHBondContact O-N 2.86Å; Q143-T145 PolarHBondContact O-N 2.89Å; Q143-T145 VanDerWaalsContact O-N 3.11Å; Q143-S146 WeakPolarHBondContact O-CB 3.3Å; Q143-S146 PolarHBondContact O-N 2.77Å
144L98.3Very high97.9Very high0 Ų061.2 Ų61.20%033%0.326CS..G310 helixtrans-59.8-28.4-174.9-61.3-178.1000112.9L106 I122 S139 L142 S146 V147 W152 I154L106-L144 HydrophobicContact CD2-CD2 3.82Å; I122-L144 HydrophobicContact CD1-CD1 3.8Å; I122-L144 HydrophobicContact CD1-CD2 4.04Å; I122-L144 HydrophobicContact CG1-CD1 4.11Å; I122-L144 HydrophobicContact CG1-CD2 4.24Å; S139-L144 PolarHBondContact O-N 3.24Å; L142-L144 VanDerWaalsContact C-N 3.3Å; L142-L144 HydrophobicContact CB-CD2 3.75Å; L142-L144 HydrophobicContact CB-CG 3.94Å; L142-L144 HydrophobicContact CD1-CD2 4.22Å; L142-L144 PolarHBondContact O-N 2.98Å; L144-S146 PolarHBondContact O-N 3.29Å; L144-S146 VanDerWaalsContact O-N 3.14Å; L144-V147 WeakPolarHBondContact O-CB 3.27Å; L144-V147 PolarHBondContact O-N 3.43Å; L144-W152 HydrophobicContact CB-CD2 4.24Å; L144-W152 HydrophobicContact CB-CE3 4.16Å; L144-W152 HydrophobicContact CB-CH2 3.87Å; L144-W152 HydrophobicContact CB-CZ2 3.91Å; L144-W152 HydrophobicContact CB-CZ3 3.99Å; L144-W152 HydrophobicContact CD1-CE3 4.07Å; L144-W152 HydrophobicContact CD1-CZ3 3.97Å; L144-W152 PolarHBondContact O-NE1 3.28Å; L144-I154 HydrophobicContact CD1-CB 4.11Å; L144-I154 HydrophobicContact CD1-CD1 4.03Å; L144-I154 HydrophobicContact CD1-CG2 4.48Å
145T97.6Very high97.9Very high91 Ų9160.7 Ų60.756%0.55832%0.318SS*.G310 helixtrans-61-21.8174.953.20000113.9Q143 K148Q143-T145 PolarHBondContact O-N 2.89Å; Q143-T145 VanDerWaalsContact O-N 3.11Å; T145-K148 WeakPolarHBondContact O-CE 3.42Å; T145-K148 PolarHBondContact O-NZ 2.88Å
146S97.7Very high97.9Very high71 Ų7160.3 Ų60.350%0.49732%0.319SS..G310 helixtrans-82.3-15.6177-58.80000112.9Q143 L144 K148Q143-S146 WeakPolarHBondContact O-CB 3.3Å; Q143-S146 PolarHBondContact O-N 2.77Å; L144-S146 PolarHBondContact O-N 3.29Å; L144-S146 VanDerWaalsContact O-N 3.14Å; S146-K148 PolarHBondContact O-N 3.07Å
147V97.4Very high97.9Very high6 Ų657.1 Ų57.14%0.03629%0.293CS..  trans-76.8111.1173.5-1770000108.2Y107 L110 L144 H150 W152Y107-V147 HydrophobicContact CE1-CG2 4.45Å; L110-V147 HydrophobicContact CD1-CG1 3.92Å; L110-V147 HydrophobicContact CD1-CG2 3.82Å; L144-V147 WeakPolarHBondContact O-CB 3.27Å; L144-V147 PolarHBondContact O-N 3.43Å; V147-H150 HydrophobicContact CG1-CB 3.89Å; V147-W152 PolarHBondContact O-NE1 2.84Å
148K95.1Very high97.9Very high173 Ų17354 Ų5475%0.75228%0.279SS*.  trans-116.8-22.7-174.1-62-53.3-170.6-167.30113.7T145 S146T145-K148 WeakPolarHBondContact O-CE 3.42Å; T145-K148 PolarHBondContact O-NZ 2.88Å; S146-K148 PolarHBondContact O-N 3.07Å
149D94.7Very high97.8Very high112 Ų11254.2 Ų54.260%0.59928%0.28SS*.SBendtrans-88.8-13.2-176.448.9-17.7000113.2
150H96.5Very high97.6Very high11 Ų1157.7 Ų57.75%0.05130%0.297CS..SBendtrans-120.5141.8175.1-64.2-109.3000111.6L115 A118 V147L115-H150 PolarHBondContact O-CE1 2.93Å; A118-H150 PolarHBondContact O-ND1 3.29Å; V147-H150 HydrophobicContact CG1-CB 3.89Å
151Q96.9Very high97.3Very high132 Ų13254.7 Ų54.762%0.61729%0.289SS*.  trans-70132.3161.9-65.2-60.8-41.900108.5L120 W171L120-Q151 PolarHBondContact N-O 3.26Å; Q151-W171 HydrophobicContact CB-CZ2 4.4Å
152W98.3Very high97.1Very high76 Ų7653.3 Ų53.329%0.28828%0.283SS..EExtended strand (participates in β ladder)trans-140.6155.2-179.165.2-96.7000113.4L120 I122 L144 V147 I154L120-W152 HydrophobicContact CB-CB 3.88Å; L120-W152 HydrophobicContact CD2-CB 4.11Å; L120-W152 HydrophobicContact CG-CB 4.27Å; L120-W152 CarbonylContact O-C 3.52Å; L120-W152 WeakPolarHBondContact O-CA 3.45Å; L120-W152 WeakPolarHBondContact O-CB 3.49Å; I122-W152 HydrophobicContact CD1-CB 4.39Å; I122-W152 HydrophobicContact CD1-CE3 4.47Å; L144-W152 HydrophobicContact CB-CD2 4.24Å; L144-W152 HydrophobicContact CB-CE3 4.16Å; L144-W152 HydrophobicContact CB-CH2 3.87Å; L144-W152 HydrophobicContact CB-CZ2 3.91Å; L144-W152 HydrophobicContact CB-CZ3 3.99Å; L144-W152 HydrophobicContact CD1-CE3 4.07Å; L144-W152 HydrophobicContact CD1-CZ3 3.97Å; L144-W152 PolarHBondContact O-NE1 3.28Å; V147-W152 PolarHBondContact O-NE1 2.84Å; W152-I154 HydrophobicContact CZ3-CG2 4.11Å
153H98.6Very high97Very high55 Ų5560 Ų6026%0.25531%0.314SS..EExtended strand (participates in β ladder)trans-141.3145.4172.1-179.359.7000110L120 L121 I122 Q155 W171L120-H153 PolarHBondContact O-N 3.01Å; L121-H153 HydrophobicContact CD1-CB 4.21Å; I122-H153 VanDerWaalsContact CD1-O 3.27Å; I122-H153 WeakPolarHBondContact CD1-O 3.5Å; I122-H153 PolarHBondContact N-O 3.21Å; H153-Q155 PolarHBondContact NE2-OE1 2.9Å; H153-Q155 VanDerWaalsContact NE2-OE1 3.14Å; H153-W171 HydrophobicContact CB-CD2 3.42Å; H153-W171 VanDerWaalsContact CB-CD2 3.42Å; H153-W171 HydrophobicContact CB-CE3 3.96Å; H153-W171 HydrophobicContact CB-CG 3.67Å; H153-W171 HydrophobicContact CB-CH2 4.35Å; H153-W171 HydrophobicContact CB-CZ2 3.87Å; H153-W171 HydrophobicContact CB-CZ3 4.4Å; H153-W171 AromaticContact CG-CD1 3.93Å; H153-W171 AromaticContact CG-CG 3.89Å
154I98.8Very high97Very high22 Ų2256.1 Ų56.111%0.11330%0.297CS..EExtended strand (participates in β ladder)trans-118.1131.8171.8-173.8170.7000109.4I122 A124 V135 I138 L144 W152I122-I154 HydrophobicContact CB-CB 4.12Å; I122-I154 HydrophobicContact CB-CD1 4.4Å; I122-I154 HydrophobicContact CB-CG1 3.92Å; I122-I154 HydrophobicContact CG2-CD1 4.05Å; I122-I154 HydrophobicContact CG2-CG1 3.98Å; I122-I154 CarbonylContact O-C 3.54Å; I122-I154 WeakPolarHBondContact O-CA 3.18Å; A124-I154 HydrophobicContact CB-CD1 4.47Å; A124-I154 HydrophobicContact CB-CG1 4.45Å; V135-I154 HydrophobicContact CG1-CB 4.36Å; V135-I154 HydrophobicContact CG1-CD1 3.92Å; V135-I154 HydrophobicContact CG1-CG1 3.9Å; V135-I154 HydrophobicContact CG1-CG2 3.62Å; I138-I154 HydrophobicContact CB-CD1 4.1Å; I138-I154 HydrophobicContact CG2-CD1 3.75Å; L144-I154 HydrophobicContact CD1-CB 4.11Å; L144-I154 HydrophobicContact CD1-CD1 4.03Å; L144-I154 HydrophobicContact CD1-CG2 4.48Å; W152-I154 HydrophobicContact CZ3-CG2 4.11Å
155Q98.8Very high96.8Very high37 Ų3756.3 Ų56.317%0.17330%0.298CS..EExtended strand (participates in β ladder)trans-128.9122.7-173.8-175.854.557.500110L121 I122 F123 A124 H153 G164 Q167L121-Q155 HydrophobicContact CD1-CB 4.42Å; I122-Q155 PolarHBondContact O-N 3.15Å; F123-Q155 HydrophobicContact CD1-CB 3.98Å; F123-Q155 HydrophobicContact CD1-CG 4.2Å; F123-Q155 HydrophobicContact CE1-CB 4.02Å; F123-Q155 HydrophobicContact CE1-CG 3.91Å; A124-Q155 PolarHBondContact N-O 3.02Å; H153-Q155 PolarHBondContact NE2-OE1 2.9Å; H153-Q155 VanDerWaalsContact NE2-OE1 3.14Å; Q155-G164 WeakPolarHBondContact CG-O 3.37Å; Q155-Q167 HydrophobicContact CG-CB 4.38Å
156A98.8Very high96.5Very high33 Ų3355.3 Ų55.327%0.27329%0.294SS..EExtended strand (participates in β ladder)trans-61.9133.8164.900000109.2Q127 V135 G164Q127-A156 HydrophobicContact CG-CB 3.95Å; V135-A156 HydrophobicContact CG2-CB 3.58Å; A156-G164 WeakPolarHBondContact O-CA 3.17Å
157C98.6Very high96.4Very high3 Ų356.3 Ų56.32%0.0229%0.291CS..  trans-149.9163.7174.572.40000113.9F123 A124 N125 K126 Q127 E163 L165F123-C157 HydrophobicContact CD1-CB 3.87Å; F123-C157 VanDerWaalsContact CD1-SG 3.53Å; F123-C157 HydrophobicContact CE1-CB 4.28Å; A124-C157 PolarHBondContact O-N 2.65Å; N125-C157 CarbonylContact C-O 3.53Å; N125-C157 WeakPolarHBondContact CA-O 3.48Å; N125-C157 VanDerWaalsContact CA-SG 3.57Å; K126-C157 PolarHBondContact N-O 3.01Å; Q127-C157 PolarHBondContact N-O 3.25Å; C157-E163 CarbonylContact C-O 3.59Å; C157-E163 WeakPolarHBondContact CA-O 3.46Å; C157-E163 WeakPolarHBondContact CB-O 3.2Å; C157-L165 HydrophobicContact CB-CD2 3.68Å; C157-L165 HydrophobicContact CB-CG 4.43Å
158C98Very high96.4Very high4 Ų456 Ų563%0.02729%0.289CS..  trans-126.2108.7164.9177.50000108.6D128 L160 T161 G162 E163D128-C158 HydrophobicContact CB-CB 4.45Å; D128-C158 VanDerWaalsContact CG-SG 3.56Å; D128-C158 PolarHBondContact OD1-SG 3.19Å; C158-L160 PolarHBondContact O-N 2.88Å; C158-T161 WeakPolarHBondContact CB-OG1 3.33Å; C158-T161 PolarHBondContact O-N 3.35Å; C158-G162 PolarHBondContact O-N 3.5Å; C158-E163 PolarHBondContact N-O 3.03Å; C158-E163 PolarHBondContact O-N 3.16Å
159A96.4Very high96.2Very high3 Ų348.2 Ų48.23%0.02526%0.256CS..THydrogen-bonded Turntrans-61.1-25.3179.300000113.3T31 I32 N125T31-A159 HydrophobicContact CG2-CB 3.75Å; I32-A159 HydrophobicContact CD1-CB 4.42Å; I32-A159 HydrophobicContact CG1-CB 3.55Å; N125-A159 WeakPolarHBondContact OD1-CB 3.48Å; N125-A159 PolarHBondContact OD1-N 3.31Å
160L94.4Very high96.1Very high94 Ų9447.8 Ų47.849%0.49225%0.25SC..THydrogen-bonded Turntrans-78.8-23.4179.6-58.8177.1000113.1T31 V41 C158T31-L160 HydrophobicContact CG2-CD2 4.1Å; V41-L160 HydrophobicContact CG1-CD2 3.56Å; V41-L160 WeakPolarHBondContact CG2-O 3.39Å; C158-L160 PolarHBondContact O-N 2.88Å
161T93.9Very high96Very high90 Ų9049 Ų4955%0.55225%0.254SS*.THydrogen-bonded Turntrans-109.8-13.9178.964.50000112.4C158 E163C158-T161 WeakPolarHBondContact CB-OG1 3.33Å; C158-T161 PolarHBondContact O-N 3.35Å; T161-E163 PolarHBondContact O-N 3.28Å; T161-E163 WeakPolarHBondContact OG1-CB 3.41Å; T161-E163 PolarHBondContact OG1-N 3.13Å
162G94.1Very high95.9Very high20 Ų2042.7 Ų42.721%0.20622%0.224CC..  trans77.9-2.3-17100000114C158 G164 L165C158-G162 PolarHBondContact O-N 3.5Å; G162-G164 PolarHBondContact O-N 3.03Å; G162-L165 WeakPolarHBondContact O-CB 3.44Å; G162-L165 PolarHBondContact O-N 3.17Å
163E96.6Very high95.6Very high142 Ų14239.4 Ų39.466%0.66421%0.213SC*.THydrogen-bonded Turntrans-59.1133.5178.6-172.3178.517700110.6C157 C158 T161 L165C157-E163 CarbonylContact C-O 3.59Å; C157-E163 WeakPolarHBondContact CA-O 3.46Å; C157-E163 WeakPolarHBondContact CB-O 3.2Å; C158-E163 PolarHBondContact N-O 3.03Å; C158-E163 PolarHBondContact O-N 3.16Å; T161-E163 PolarHBondContact O-N 3.28Å; T161-E163 WeakPolarHBondContact OG1-CB 3.41Å; T161-E163 PolarHBondContact OG1-N 3.13Å; E163-L165 PolarHBondContact O-N 3.49Å
164G96.9Very high95.3Very high4 Ų439 Ų394%0.04122%0.216CC..THydrogen-bonded Turntrans82.8-18.9179.400000115.1Q155 A156 G162 Q167 G168Q155-G164 WeakPolarHBondContact CG-O 3.37Å; A156-G164 WeakPolarHBondContact O-CA 3.17Å; G162-G164 PolarHBondContact O-N 3.03Å; G164-Q167 PolarHBondContact O-OE1 3.06Å; G164-G168 PolarHBondContact O-N 3.22Å
165L95.3Very high95Very high4 Ų439.8 Ų39.82%0.02122%0.219CC..Hα-helixtrans-69.5-40.5-174.6-61.3-171.4000112.4I32 Q35 F36 F123 C157 G162 E163 Q167 G168 L169I32-L165 HydrophobicContact CD1-CD2 4.1Å; I32-L165 HydrophobicContact CG1-CD1 4.45Å; I32-L165 HydrophobicContact CG1-CD2 3.96Å; I32-L165 HydrophobicContact CG2-CD1 4.42Å; I32-L165 HydrophobicContact CG2-CD2 4.17Å; Q35-L165 HydrophobicContact CB-CD1 3.79Å; Q35-L165 HydrophobicContact CG-CD1 3.57Å; F36-L165 HydrophobicContact CD1-CB 4.47Å; F36-L165 HydrophobicContact CE1-CB 3.57Å; F36-L165 HydrophobicContact CE1-CD1 4.23Å; F36-L165 HydrophobicContact CE1-CG 4.42Å; F36-L165 HydrophobicContact CZ-CB 4.04Å; F123-L165 HydrophobicContact CD1-CD2 4.13Å; F123-L165 HydrophobicContact CD2-CD2 4.49Å; F123-L165 HydrophobicContact CE1-CD2 3.81Å; F123-L165 HydrophobicContact CE2-CD2 4.19Å; F123-L165 HydrophobicContact CG-CD2 4.48Å; F123-L165 HydrophobicContact CZ-CD2 3.84Å; C157-L165 HydrophobicContact CB-CD2 3.68Å; C157-L165 HydrophobicContact CB-CG 4.43Å; G162-L165 WeakPolarHBondContact O-CB 3.44Å; G162-L165 PolarHBondContact O-N 3.17Å; E163-L165 PolarHBondContact O-N 3.49Å; L165-Q167 VanDerWaalsContact C-N 3.35Å; L165-Q167 PolarHBondContact O-N 3.41Å; L165-G168 PolarHBondContact O-N 3.08Å; L165-L169 PolarHBondContact O-N 3Å; L165-L169 VanDerWaalsContact O-N 3.16Å
166C91.8Very high94.5Very high70 Ų7039.4 Ų39.447%0.47322%0.218SC..Hα-helixtrans-60.3-44.6178.1-168.80000111.5G168 L169 E170C166-G168 VanDerWaalsContact C-N 3.27Å; C166-G168 PolarHBondContact O-N 2.67Å; C166-L169 PolarHBondContact O-N 3.48Å; C166-L169 VanDerWaalsContact O-N 3.1Å; C166-E170 WeakPolarHBondContact O-CG 3.49Å; C166-E170 PolarHBondContact O-N 2.82Å
167Q95.1Very high93.2Very high91 Ų9147.3 Ų47.343%0.42524%0.241SC..Hα-helixtrans-61-36.8178.7-64.385.3-12.400112Q155 G164 L165 W171Q155-Q167 HydrophobicContact CG-CB 4.38Å; G164-Q167 PolarHBondContact O-OE1 3.06Å; L165-Q167 VanDerWaalsContact C-N 3.35Å; L165-Q167 PolarHBondContact O-N 3.41Å; Q167-W171 PolarHBondContact O-N 3.11Å; Q167-W171 VanDerWaalsContact O-N 3.07Å
168G96.2Very high91.5Very high0 Ų053 Ų530%028%0.275CS..Hα-helixtrans-63.7-44.3173.700000112.7G164 L165 C166 W171 M172G164-G168 PolarHBondContact O-N 3.22Å; L165-G168 PolarHBondContact O-N 3.08Å; C166-G168 VanDerWaalsContact C-N 3.27Å; C166-G168 PolarHBondContact O-N 2.67Å; G168-W171 WeakPolarHBondContact O-CB 3.36Å; G168-W171 PolarHBondContact O-N 2.92Å; G168-M172 PolarHBondContact O-N 3.03Å; G168-M172 VanDerWaalsContact O-N 3.13Å
169L92.1Very high89.3Confident10 Ų1061 Ų615%0.05231%0.305CS..Hα-helixtrans-68.5-37.7176.9-67.9177.3000113.1F36 V57 M64 L165 C166 W171 M172 T173F36-L169 HydrophobicContact CD1-CD1 3.4Å; F36-L169 HydrophobicContact CD1-CG 4.22Å; F36-L169 HydrophobicContact CE1-CD1 3.1Å; F36-L169 HydrophobicContact CE1-CD2 4.01Å; F36-L169 HydrophobicContact CE1-CG 3.48Å; F36-L169 VanDerWaalsContact CE1-CG 3.48Å; F36-L169 HydrophobicContact CE2-CD1 4.49Å; F36-L169 HydrophobicContact CE2-CD2 4.06Å; F36-L169 HydrophobicContact CE2-CG 4.41Å; F36-L169 HydrophobicContact CG-CD1 4.22Å; F36-L169 HydrophobicContact CZ-CD1 3.74Å; F36-L169 HydrophobicContact CZ-CD2 3.71Å; F36-L169 HydrophobicContact CZ-CG 3.6Å; V57-L169 HydrophobicContact CG2-CD1 3.73Å; M64-L169 HydrophobicContact CE-CD2 3.74Å; L165-L169 PolarHBondContact O-N 3Å; L165-L169 VanDerWaalsContact O-N 3.16Å; C166-L169 PolarHBondContact O-N 3.48Å; C166-L169 VanDerWaalsContact O-N 3.1Å; L169-W171 VanDerWaalsContact C-N 3.29Å; L169-W171 PolarHBondContact O-N 3.18Å; L169-M172 HydrophobicContact CD2-SD 4.18Å; L169-M172 PolarHBondContact O-N 3.15Å; L169-T173 WeakPolarHBondContact O-CB 3.43Å; L169-T173 PolarHBondContact O-N 3.12Å; L169-T173 PolarHBondContact O-OG1 3.43Å
170E91.9Very high89Confident103 Ų10364 Ų6448%0.48132%0.319SS..Hα-helixtrans-60.4-42.1173.9-75176.3167.900110.8C166 T173 S174C166-E170 WeakPolarHBondContact O-CG 3.49Å; C166-E170 PolarHBondContact O-N 2.82Å; E170-T173 PolarHBondContact O-N 2.91Å; E170-S174 WeakPolarHBondContact O-CB 3.36Å; E170-S174 PolarHBondContact O-N 3.09Å
171W95.6Very high88.7Confident35 Ų3562.4 Ų62.413%0.13331%0.31CS..Hα-helixtrans-59.2-49.4172.7176.383.6000111.4F86 L120 L121 Q151 H153 Q167 G168 L169 T173 S174 Q175F86-W171 HydrophobicContact CD1-CZ3 4.28Å; F86-W171 HydrophobicContact CE1-CZ3 4.4Å; L120-W171 WeakPolarHBondContact O-CH2 3.5Å; L121-W171 HydrophobicContact CB-CE3 4.18Å; L121-W171 HydrophobicContact CB-CZ3 3.89Å; L121-W171 HydrophobicContact CD1-CE3 4.12Å; Q151-W171 HydrophobicContact CB-CZ2 4.4Å; H153-W171 HydrophobicContact CB-CD2 3.42Å; H153-W171 VanDerWaalsContact CB-CD2 3.42Å; H153-W171 HydrophobicContact CB-CE3 3.96Å; H153-W171 HydrophobicContact CB-CG 3.67Å; H153-W171 HydrophobicContact CB-CH2 4.35Å; H153-W171 HydrophobicContact CB-CZ2 3.87Å; H153-W171 HydrophobicContact CB-CZ3 4.4Å; H153-W171 AromaticContact CG-CD1 3.93Å; H153-W171 AromaticContact CG-CG 3.89Å; Q167-W171 PolarHBondContact O-N 3.11Å; Q167-W171 VanDerWaalsContact O-N 3.07Å; G168-W171 WeakPolarHBondContact O-CB 3.36Å; G168-W171 PolarHBondContact O-N 2.92Å; L169-W171 VanDerWaalsContact C-N 3.29Å; L169-W171 PolarHBondContact O-N 3.18Å; W171-T173 VanDerWaalsContact C-N 3.32Å; W171-T173 PolarHBondContact O-N 2.75Å; W171-S174 WeakPolarHBondContact O-CB 3.22Å; W171-S174 PolarHBondContact O-N 2.67Å; W171-S174 VanDerWaalsContact O-N 3.08Å; W171-S174 PolarHBondContact O-OG 3.18Å; W171-Q175 HydrophobicContact CD2-CG 4.14Å; W171-Q175 HydrophobicContact CE3-CG 4.48Å; W171-Q175 HydrophobicContact CH2-CG 4.15Å; W171-Q175 HydrophobicContact CZ2-CG 3.76Å; W171-Q175 HydrophobicContact CZ3-CG 4.48Å; W171-Q175 WeakPolarHBondContact O-CG 3.26Å; W171-Q175 PolarHBondContact O-N 2.75Å; W171-Q175 VanDerWaalsContact O-N 3.13Å
172M94.8Very high88.4Confident0 Ų060.8 Ų60.80%030%0.297CS..Hα-helixtrans-57-46.5177.6-68.717356.700111.9V19 F62 F86 I88 L121 G168 L169 S174 Q175 L176V19-M172 HydrophobicContact CG1-CE 4.01Å; V19-M172 HydrophobicContact CG2-CE 3.66Å; F62-M172 HydrophobicContact CD1-CE 4.06Å; F62-M172 HydrophobicContact CE1-CE 3.87Å; F62-M172 HydrophobicContact CZ-CB 4.5Å; F86-M172 HydrophobicContact CB-CE 3.7Å; F86-M172 HydrophobicContact CD1-CB 4.4Å; F86-M172 HydrophobicContact CD1-CE 4.41Å; F86-M172 HydrophobicContact CD1-CG 4.08Å; F86-M172 HydrophobicContact CD2-CE 3.8Å; F86-M172 HydrophobicContact CE1-CB 4.23Å; F86-M172 HydrophobicContact CE1-CG 4.33Å; F86-M172 HydrophobicContact CE2-CB 4.48Å; F86-M172 HydrophobicContact CG-CE 3.72Å; F86-M172 HydrophobicContact CG-CG 4.33Å; F86-M172 HydrophobicContact CZ-CB 4.27Å; F86-M172 VanDerWaalsContact CZ-O 3.3Å; F86-M172 WeakPolarHBondContact CZ-O 3.42Å; I88-M172 HydrophobicContact CD1-CE 4.34Å; I88-M172 HydrophobicContact CD1-SD 3.88Å; I88-M172 HydrophobicContact CG1-SD 4.17Å; L121-M172 HydrophobicContact CD2-CG 4.06Å; L121-M172 HydrophobicContact CD2-SD 3.66Å; G168-M172 PolarHBondContact O-N 3.03Å; G168-M172 VanDerWaalsContact O-N 3.13Å; L169-M172 HydrophobicContact CD2-SD 4.18Å; L169-M172 PolarHBondContact O-N 3.15Å; M172-S174 VanDerWaalsContact C-N 3.27Å; M172-S174 PolarHBondContact O-N 3.09Å; M172-Q175 PolarHBondContact O-N 3.13Å; M172-Q175 VanDerWaalsContact O-N 3.1Å; M172-L176 PolarHBondContact O-N 2.86Å
173T91.6Very high88.1Confident7 Ų763.2 Ų63.24%0.04330%0.302CS..Hα-helixtrans-61.8-36.3178-51.60000111.5L169 E170 W171 Q175 L176L169-T173 WeakPolarHBondContact O-CB 3.43Å; L169-T173 PolarHBondContact O-N 3.12Å; L169-T173 PolarHBondContact O-OG1 3.43Å; E170-T173 PolarHBondContact O-N 2.91Å; W171-T173 VanDerWaalsContact C-N 3.32Å; W171-T173 PolarHBondContact O-N 2.75Å; T173-Q175 VanDerWaalsContact C-N 3.32Å; T173-Q175 PolarHBondContact O-N 2.77Å; T173-L176 PolarHBondContact O-N 2.81Å
174S92.3Very high87.5Confident47 Ų4758.3 Ų58.333%0.32928%0.28SS..Hα-helixtrans-65-35.2175.880.50000112.6E170 W171 M172 L176 R177E170-S174 WeakPolarHBondContact O-CB 3.36Å; E170-S174 PolarHBondContact O-N 3.09Å; W171-S174 WeakPolarHBondContact O-CB 3.22Å; W171-S174 PolarHBondContact O-N 2.67Å; W171-S174 VanDerWaalsContact O-N 3.08Å; W171-S174 PolarHBondContact O-OG 3.18Å; M172-S174 VanDerWaalsContact C-N 3.27Å; M172-S174 PolarHBondContact O-N 3.09Å; S174-L176 VanDerWaalsContact C-N 3.33Å; S174-L176 PolarHBondContact O-N 2.84Å; S174-R177 PolarHBondContact O-N 3.34Å
175Q92.4Very high86.9Confident38 Ų3861.9 Ų61.918%0.17830%0.295CS..Hα-helixtrans-70.5-30.3179.5-61.3-50.3-67.600112.3F86 W171 M172 T173 R177 V178F86-Q175 HydrophobicContact CE1-CB 3.83Å; F86-Q175 HydrophobicContact CE1-CG 4.25Å; F86-Q175 HydrophobicContact CZ-CB 3.91Å; W171-Q175 HydrophobicContact CD2-CG 4.14Å; W171-Q175 HydrophobicContact CE3-CG 4.48Å; W171-Q175 HydrophobicContact CH2-CG 4.15Å; W171-Q175 HydrophobicContact CZ2-CG 3.76Å; W171-Q175 HydrophobicContact CZ3-CG 4.48Å; W171-Q175 WeakPolarHBondContact O-CG 3.26Å; W171-Q175 PolarHBondContact O-N 2.75Å; W171-Q175 VanDerWaalsContact O-N 3.13Å; M172-Q175 PolarHBondContact O-N 3.13Å; M172-Q175 VanDerWaalsContact O-N 3.1Å; T173-Q175 VanDerWaalsContact C-N 3.32Å; T173-Q175 PolarHBondContact O-N 2.77Å; Q175-R177 VanDerWaalsContact C-N 3.28Å; Q175-R177 PolarHBondContact O-N 2.75Å; Q175-V178 PolarHBondContact O-N 3.32Å
176L87.4Confident86.3Confident29 Ų2966.1 Ų66.115%0.15232%0.315CS..Hα-helixtrans-66-30.8175.3-69175.2000112.8H17 T60 F62 F86 M172 T173 S174 V178H17-L176 VanDerWaalsContact CE1-CD2 3.49Å; H17-L176 WeakPolarHBondContact CE1-CD2 3.4Å; H17-L176 WeakPolarHBondContact ND1-CD2 3.15Å; T60-L176 HydrophobicContact CG2-CD1 3.68Å; F62-L176 HydrophobicContact CE1-CD1 4.03Å; F62-L176 HydrophobicContact CZ-CD1 4.1Å; F86-L176 HydrophobicContact CE2-CD1 4.29Å; F86-L176 HydrophobicContact CE2-CD2 3.64Å; F86-L176 HydrophobicContact CE2-CG 3.83Å; F86-L176 HydrophobicContact CZ-CD2 3.94Å; F86-L176 HydrophobicContact CZ-CG 3.93Å; M172-L176 PolarHBondContact O-N 2.86Å; T173-L176 PolarHBondContact O-N 2.81Å; S174-L176 VanDerWaalsContact C-N 3.33Å; S174-L176 PolarHBondContact O-N 2.84Å; L176-V178 VanDerWaalsContact C-N 3.28Å; L176-V178 PolarHBondContact O-N 2.78Å
177R71.8Confident85.9Confident200 Ų20065.8 Ų65.876%0.75530%0.303SS*.THydrogen-bonded Turntrans-76.1-15.6179.6-64.1179.8-179.1-175.50.8113.8S174 Q175S174-R177 PolarHBondContact O-N 3.34Å; Q175-R177 VanDerWaalsContact C-N 3.28Å; Q175-R177 PolarHBondContact O-N 2.75Å
178V62.3Low85.1Confident121 Ų12163.7 Ų63.773%0.73329%0.293SS*.THydrogen-bonded Turntrans-95.2-8.5-176.6-179.10000111.6Q175 L176Q175-V178 PolarHBondContact O-N 3.32Å; L176-V178 VanDerWaalsContact C-N 3.28Å; L176-V178 PolarHBondContact O-N 2.78Å
179R52.9Low84.1Confident174 Ų17469.5 Ų69.566%0.65732%0.319SS*.  trans-88.10174.7-71.2-177.2172.7172.81.4111.9E85 K117E85-R179 IonicContact OE2-NH1 3.86Å; E85-R179 PolarHBondContact OE2-NH1 3.49Å; K117-R179 PolarHBondContact O-NH2 3.21Å

Retrieved 179 of 179 residues in 42.6 ms (Link to these results)

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