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Oxygen regulatory protein NreC

Member of the two-component regulatory system NreB/NreC involved in the control of dissimilatory nitrate/nitrite reduction in response to oxygen. Phosphorylated NreC binds to a GC-rich palindromic sequence at the promoters of the nitrate (narGHJI) and nitrite (nir) reductase operons, as well as the putative nitrate transporter gene narT, and activates their expression (By similarity).

AlphaFold DB , UniProt , Accession Q2FVM7, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene nreC, Length 217 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
1M97.5Very high96.4Very high38 Ų3840.7 Ų40.719%0.18722%0.223CC..  0122.40-176.5-172.1-48.100107.4I3 D25 M26 E27 D48 V49 I115 R116 Y119M1-I3 HydrophobicContact CG-CD1 4.44Å; M1-I3 HydrophobicContact CG-CG1 4.1Å; M1-I3 HydrophobicContact SD-CD1 4Å; M1-I3 HydrophobicContact SD-CG1 4.19Å; M1-D25 WeakPolarHBondContact CB-O 3.44Å; M1-D25 PolarHBondContact N-O 3.33Å; M1-M26 HydrophobicContact CB-CG 4.48Å; M1-M26 HydrophobicContact CE-CE 4.31Å; M1-M26 CarbonylContact O-C 3.52Å; M1-E27 PolarHBondContact O-N 2.98Å; M1-D48 VanDerWaalsContact CA-OD2 3.23Å; M1-D48 WeakPolarHBondContact CA-OD2 3.44Å; M1-D48 HydrophobicContact CG-CB 3.94Å; M1-V49 HydrophobicContact CG-CG2 4.37Å; M1-V49 HydrophobicContact SD-CB 4.48Å; M1-V49 HydrophobicContact SD-CG2 3.76Å; M1-I115 HydrophobicContact CE-CG2 4.27Å; M1-I115 HydrophobicContact SD-CG2 3.49Å; M1-I115 WeakPolarHBondContact SD-CG2 3.28Å; M1-R116 HydrophobicContact CE-CG 4.48Å; M1-Y119 HydrophobicContact CE-CD1 3.57Å; M1-Y119 HydrophobicContact CE-CD2 3.86Å; M1-Y119 HydrophobicContact CE-CE1 4.2Å; M1-Y119 HydrophobicContact CE-CE2 4.47Å; M1-Y119 HydrophobicContact CE-CG 3.35Å; M1-Y119 HydrophobicContact CG-CD2 3.7Å; M1-Y119 HydrophobicContact CG-CE2 3.95Å; M1-Y119 HydrophobicContact CG-CG 4.24Å; M1-Y119 HydrophobicContact SD-CD2 3.91Å; M1-Y119 HydrophobicContact SD-CG 3.9Å
2K98.7Very high96.1Very high99 Ų9939.3 Ų39.343%0.4322%0.216SC..EExtended strand (participates in β ladder)trans-86.3126.4177.3-67.8-174.7175.4-176.20110.1V29 P47 D48 V49K2-V29 HydrophobicContact CB-CG1 3.94Å; K2-V29 HydrophobicContact CB-CG2 4.21Å; K2-V29 HydrophobicContact CD-CG1 4.11Å; K2-V29 HydrophobicContact CG-CG1 3.79Å; K2-P47 HydrophobicContact CB-CB 4.5Å; K2-P47 WeakPolarHBondContact O-CB 3.31Å; K2-D48 PolarHBondContact N-OD2 3.24Å; K2-D48 PolarHBondContact O-N 3.36Å; K2-V49 PolarHBondContact O-N 2.94Å
3I98.8Very high96.2Very high0 Ų039.7 Ų39.70%021%0.212CC..EExtended strand (participates in β ladder)trans-124.1136.8-175.2-54.6179.7000110M1 I5 L20 M26 E27 V28 V29 V49 L51 I115M1-I3 HydrophobicContact CG-CD1 4.44Å; M1-I3 HydrophobicContact CG-CG1 4.1Å; M1-I3 HydrophobicContact SD-CD1 4Å; M1-I3 HydrophobicContact SD-CG1 4.19Å; I3-I5 HydrophobicContact CG2-CG1 4.4Å; I3-L20 HydrophobicContact CD1-CD1 4.06Å; I3-L20 HydrophobicContact CG2-CD1 4.06Å; I3-M26 HydrophobicContact CD1-CB 3.99Å; I3-M26 HydrophobicContact CD1-CG 4.06Å; I3-M26 HydrophobicContact CD1-SD 3.97Å; I3-E27 PolarHBondContact N-O 3.25Å; I3-V28 HydrophobicContact CB-CG2 4.47Å; I3-V28 CarbonylContact O-C 3.44Å; I3-V28 WeakPolarHBondContact O-CA 3.12Å; I3-V29 WeakPolarHBondContact O-CG2 3.26Å; I3-V29 PolarHBondContact O-N 2.95Å; I3-V49 VanDerWaalsContact CA-O 3.31Å; I3-V49 WeakPolarHBondContact CA-O 3.06Å; I3-V49 HydrophobicContact CG1-CB 4.39Å; I3-L51 HydrophobicContact CG2-CG 4.17Å; I3-I115 HydrophobicContact CD1-CG2 3.85Å
4V98.8Very high96.3Very high0 Ų042.3 Ų42.30%023%0.23CC..EExtended strand (participates in β ladder)trans-111.1141.21651710000109V29 A30 K41 P47 V49 L50 L51V4-V29 HydrophobicContact CG2-CG2 3.92Å; V4-A30 WeakPolarHBondContact CA-O 3.4Å; V4-A30 HydrophobicContact CG2-CB 4.11Å; V4-K41 HydrophobicContact CG1-CB 4Å; V4-K41 HydrophobicContact CG2-CB 4.42Å; V4-P47 HydrophobicContact CB-CB 4.33Å; V4-P47 HydrophobicContact CB-CG 4.04Å; V4-P47 HydrophobicContact CG2-CB 3.86Å; V4-P47 HydrophobicContact CG2-CG 3.67Å; V4-V49 PolarHBondContact N-O 3.29Å; V4-V49 VanDerWaalsContact N-O 3.08Å; V4-L50 HydrophobicContact CB-CD1 3.85Å; V4-L50 HydrophobicContact CG1-CD1 3.65Å; V4-L50 WeakPolarHBondContact O-CA 3.38Å; V4-L51 PolarHBondContact O-N 2.86Å
5I98.5Very high96.3Very high0 Ų041.3 Ų41.30%023%0.234CC..EExtended strand (participates in β ladder)trans-116119.1176.3-50.6176.6000109.2I3 R13 F16 L20 V28 A30 T31 A32 L51I3-I5 HydrophobicContact CG2-CG1 4.4Å; I5-R13 HydrophobicContact CG2-CG 4.4Å; I5-F16 HydrophobicContact CD1-CB 3.73Å; I5-L20 HydrophobicContact CD1-CD1 4.04Å; I5-L20 HydrophobicContact CG1-CD1 4.48Å; I5-V28 HydrophobicContact CD1-CG1 3.97Å; I5-V28 HydrophobicContact CD1-CG2 3.99Å; I5-V28 HydrophobicContact CG1-CG1 4.05Å; I5-V28 HydrophobicContact CG1-CG2 4.48Å; I5-A30 PolarHBondContact N-O 3.1Å; I5-T31 CarbonylContact O-C 3.56Å; I5-T31 WeakPolarHBondContact O-CA 3.2Å; I5-A32 PolarHBondContact O-N 3.19Å; I5-L51 HydrophobicContact CG1-CD1 4.23Å; I5-L51 HydrophobicContact CG2-CB 4.35Å
6A97.6Very high96.4Very high0 Ų040.2 Ų40.20%023%0.226CC..EExtended strand (participates in β ladder)trans-111.5115174.600000109.9A32 A38 L50 L51 M52 D53 M56A6-A32 WeakPolarHBondContact CA-O 3.37Å; A6-A32 HydrophobicContact CB-CB 4.03Å; A6-A38 HydrophobicContact CB-CB 3.6Å; A6-L50 HydrophobicContact CB-CD1 4.34Å; A6-L51 PolarHBondContact N-O 3.42Å; A6-M52 HydrophobicContact CB-CE 4.01Å; A6-M52 HydrophobicContact CB-SD 3.89Å; A6-D53 WeakPolarHBondContact O-CB 3.41Å; A6-D53 PolarHBondContact O-N 3.17Å; A6-M56 HydrophobicContact CB-SD 4.22Å
7D95.2Very high96.5Very high0 Ų039.1 Ų39.10%022%0.221CC..  trans-160.3138.8-179.6-163.6-71.4000108.9H9 V12 R13 A32 D53 K104D7-H9 VanDerWaalsContact C-N 3.29Å; D7-H9 PolarHBondContact O-N 3.4Å; D7-H9 WeakPolarHBondContact OD1-CA 3.41Å; D7-H9 VanDerWaalsContact OD1-CB 3.27Å; D7-H9 WeakPolarHBondContact OD1-CB 3.5Å; D7-H9 IonicContact OD1-CG 3.87Å; D7-H9 PolarHBondContact OD1-N 3.26Å; D7-H9 IonicContact OD1-ND1 3.82Å; D7-V12 HydrophobicContact CB-CB 4.29Å; D7-V12 HydrophobicContact CB-CG1 4.19Å; D7-V12 VanDerWaalsContact OD2-CG1 3.31Å; D7-V12 WeakPolarHBondContact OD2-CG1 3.34Å; D7-R13 HydrophobicContact CB-CG 3.96Å; D7-R13 VanDerWaalsContact O-CD 3.29Å; D7-R13 WeakPolarHBondContact O-CD 3.49Å; D7-R13 PolarHBondContact O-NH1 3.23Å; D7-A32 PolarHBondContact N-O 3.47Å; D7-D53 HydrophobicContact CB-CB 4.18Å; D7-K104 IonicContact OD1-NZ 3.45Å; D7-K104 PolarHBondContact OD1-NZ 3.14Å; D7-K104 WeakPolarHBondContact OD2-CE 3.2Å; D7-K104 IonicContact OD2-NZ 2.82Å; D7-K104 PolarHBondContact OD2-NZ 3Å
8D92Very high96.6Very high44 Ų4444.3 Ų44.324%0.23525%0.245CC..SBendtrans-69.1-30.4178.467-36.4000112A10 R13 A33 M56D8-A10 PolarHBondContact O-N 3.33Å; D8-R13 PolarHBondContact O-NH1 3.03Å; D8-A33 WeakPolarHBondContact CA-O 3.2Å; D8-M56 HydrophobicContact CB-CB 4.14Å; D8-M56 HydrophobicContact CB-CG 4.28Å
9H92.6Very high96.6Very high100 Ų10043.9 Ų43.946%0.46324%0.242SC..  trans-80109.5-179.6-62.487.7000111.6D7 V11 V12 R13D7-H9 VanDerWaalsContact C-N 3.29Å; D7-H9 PolarHBondContact O-N 3.4Å; D7-H9 WeakPolarHBondContact OD1-CA 3.41Å; D7-H9 VanDerWaalsContact OD1-CB 3.27Å; D7-H9 WeakPolarHBondContact OD1-CB 3.5Å; D7-H9 IonicContact OD1-CG 3.87Å; D7-H9 PolarHBondContact OD1-N 3.26Å; D7-H9 IonicContact OD1-ND1 3.82Å; H9-V11 HydrophobicContact CB-CG1 4.25Å; H9-V11 PolarHBondContact O-N 2.85Å; H9-V11 VanDerWaalsContact O-N 3.08Å; H9-V12 HydrophobicContact CB-CB 4.31Å; H9-V12 HydrophobicContact CB-CG2 3.81Å; H9-V12 WeakPolarHBondContact O-CB 3.37Å; H9-V12 PolarHBondContact O-N 2.79Å; H9-R13 PolarHBondContact O-N 3.13Å
10A95.2Very high96.7Very high55 Ų5541.7 Ų41.746%0.45523%0.23SC..Hα-helixtrans-56-29.6177.500000114D8 T14D8-A10 PolarHBondContact O-N 3.33Å; A10-T14 WeakPolarHBondContact O-CB 3.23Å; A10-T14 PolarHBondContact O-N 3.12Å; A10-T14 PolarHBondContact O-OG1 2.91Å
11V95.1Very high96.8Very high112 Ų11243.7 Ų43.768%0.67924%0.24SC*.Hα-helixtrans-67.4-37.3175.867.30000112.1H9 T14 G15H9-V11 HydrophobicContact CB-CG1 4.25Å; H9-V11 PolarHBondContact O-N 2.85Å; H9-V11 VanDerWaalsContact O-N 3.08Å; V11-T14 PolarHBondContact O-N 2.95Å; V11-G15 PolarHBondContact O-N 2.92Å
12V93.7Very high96.8Very high23 Ų2351.2 Ų51.214%0.13927%0.268CS..Hα-helixtrans-66.7-48.9176.5177.60000109.3D7 H9 T14 G15 F16 L81 K104D7-V12 HydrophobicContact CB-CB 4.29Å; D7-V12 HydrophobicContact CB-CG1 4.19Å; D7-V12 VanDerWaalsContact OD2-CG1 3.31Å; D7-V12 WeakPolarHBondContact OD2-CG1 3.34Å; H9-V12 HydrophobicContact CB-CB 4.31Å; H9-V12 HydrophobicContact CB-CG2 3.81Å; H9-V12 WeakPolarHBondContact O-CB 3.37Å; H9-V12 PolarHBondContact O-N 2.79Å; V12-T14 VanDerWaalsContact C-N 3.3Å; V12-T14 PolarHBondContact O-N 3.35Å; V12-G15 PolarHBondContact O-N 3.47Å; V12-F16 HydrophobicContact CG1-CD1 4.16Å; V12-F16 HydrophobicContact CG1-CD2 4.22Å; V12-F16 HydrophobicContact CG1-CE1 4.19Å; V12-F16 HydrophobicContact CG1-CE2 4.27Å; V12-F16 HydrophobicContact CG1-CG 4.18Å; V12-F16 HydrophobicContact CG1-CZ 4.26Å; V12-F16 VanDerWaalsContact O-CB 3.31Å; V12-F16 WeakPolarHBondContact O-CB 3.44Å; V12-F16 PolarHBondContact O-N 3.23Å; V12-L81 HydrophobicContact CG1-CD1 4.43Å; V12-K104 HydrophobicContact CG2-CD 4.46Å
13R97.2Very high96.8Very high45 Ų4548.4 Ų48.417%0.1726%0.256CS..Hα-helixtrans-55.8-47.5177.1-56-164.2-53.1-913.1111.2I5 D7 D8 H9 S17 T31 A32I5-R13 HydrophobicContact CG2-CG 4.4Å; D7-R13 HydrophobicContact CB-CG 3.96Å; D7-R13 VanDerWaalsContact O-CD 3.29Å; D7-R13 WeakPolarHBondContact O-CD 3.49Å; D7-R13 PolarHBondContact O-NH1 3.23Å; D8-R13 PolarHBondContact O-NH1 3.03Å; H9-R13 PolarHBondContact O-N 3.13Å; R13-S17 WeakPolarHBondContact O-CB 3.19Å; R13-S17 PolarHBondContact O-N 2.81Å; R13-S17 PolarHBondContact O-OG 3.3Å; R13-T31 HydrophobicContact CB-CG2 4.3Å; R13-A32 WeakPolarHBondContact CD-O 3.43Å
14T97.6Very high96.7Very high76 Ų7656.8 Ų56.847%0.46630%0.301SS..Hα-helixtrans-63.9-51.4179.3-56.40000112.2A10 V11 V12 S17 M18A10-T14 WeakPolarHBondContact O-CB 3.23Å; A10-T14 PolarHBondContact O-N 3.12Å; A10-T14 PolarHBondContact O-OG1 2.91Å; V11-T14 PolarHBondContact O-N 2.95Å; V12-T14 VanDerWaalsContact C-N 3.3Å; V12-T14 PolarHBondContact O-N 3.35Å; T14-S17 PolarHBondContact O-N 2.85Å; T14-M18 HydrophobicContact CG2-CE 3.85Å; T14-M18 WeakPolarHBondContact O-CG 3.47Å; T14-M18 PolarHBondContact O-N 2.75Å
15G96.5Very high96.7Very high27 Ų2759.9 Ų59.928%0.27832%0.318SS..Hα-helixtrans-63-47.2-177.300000112.1V11 V12 M18 I19V11-G15 PolarHBondContact O-N 2.92Å; V12-G15 PolarHBondContact O-N 3.47Å; G15-M18 PolarHBondContact O-N 3.34Å; G15-I19 WeakPolarHBondContact O-CG1 3.31Å; G15-I19 PolarHBondContact O-N 2.82Å; G15-I19 VanDerWaalsContact O-N 3.13Å
16F97.1Very high96.7Very high24 Ų2460.5 Ų60.511%0.10532%0.321CS..Hα-helixtrans-67.1-40.3178.1-76.826.3000110.4I5 V12 M18 I19 L20 L51 L81 L111I5-F16 HydrophobicContact CD1-CB 3.73Å; V12-F16 HydrophobicContact CG1-CD1 4.16Å; V12-F16 HydrophobicContact CG1-CD2 4.22Å; V12-F16 HydrophobicContact CG1-CE1 4.19Å; V12-F16 HydrophobicContact CG1-CE2 4.27Å; V12-F16 HydrophobicContact CG1-CG 4.18Å; V12-F16 HydrophobicContact CG1-CZ 4.26Å; V12-F16 VanDerWaalsContact O-CB 3.31Å; V12-F16 WeakPolarHBondContact O-CB 3.44Å; V12-F16 PolarHBondContact O-N 3.23Å; F16-M18 VanDerWaalsContact C-N 3.27Å; F16-M18 PolarHBondContact O-N 2.91Å; F16-I19 PolarHBondContact O-N 2.74Å; F16-L20 WeakPolarHBondContact O-CB 3.34Å; F16-L20 WeakPolarHBondContact O-CG 3.25Å; F16-L20 PolarHBondContact O-N 3.36Å; F16-L51 HydrophobicContact CD2-CD1 3.98Å; F16-L81 HydrophobicContact CD2-CD1 4.13Å; F16-L81 HydrophobicContact CE2-CD1 3.82Å; F16-L81 HydrophobicContact CE2-CD2 3.74Å; F16-L81 HydrophobicContact CE2-CG 4.43Å; F16-L111 HydrophobicContact CD1-CD2 4.35Å; F16-L111 HydrophobicContact CD2-CD1 4.49Å; F16-L111 HydrophobicContact CD2-CD2 3.93Å; F16-L111 HydrophobicContact CE1-CD2 4.35Å; F16-L111 HydrophobicContact CE2-CD1 4.09Å; F16-L111 HydrophobicContact CE2-CD2 3.92Å; F16-L111 HydrophobicContact CG-CD2 4.14Å; F16-L111 HydrophobicContact CZ-CD2 4.14Å
17S98.2Very high96.7Very high21 Ų2165.6 Ų65.615%0.14735%0.345CS..Hα-helixtrans-56.2-40.7173-71.80000113.1R13 T14 N21R13-S17 WeakPolarHBondContact O-CB 3.19Å; R13-S17 PolarHBondContact O-N 2.81Å; R13-S17 PolarHBondContact O-OG 3.3Å; T14-S17 PolarHBondContact O-N 2.85Å; S17-N21 WeakPolarHBondContact O-CB 3.31Å; S17-N21 VanDerWaalsContact O-CG 3.29Å; S17-N21 PolarHBondContact O-N 2.84Å; S17-N21 PolarHBondContact O-ND2 2.85Å; S17-N21 VanDerWaalsContact O-ND2 3.12Å
18M98Very high96.9Very high134 Ų13466.6 Ų66.666%0.6635%0.351SS*.Hα-helixtrans-64.4-47.5176.8-71.1178.3178.100112.1T14 G15 F16 L20 Y22T14-M18 HydrophobicContact CG2-CE 3.85Å; T14-M18 WeakPolarHBondContact O-CG 3.47Å; T14-M18 PolarHBondContact O-N 2.75Å; G15-M18 PolarHBondContact O-N 3.34Å; F16-M18 VanDerWaalsContact C-N 3.27Å; F16-M18 PolarHBondContact O-N 2.91Å; M18-L20 PolarHBondContact O-N 3.11Å; M18-Y22 WeakPolarHBondContact O-CB 3.35Å; M18-Y22 PolarHBondContact O-N 3.36Å; M18-Y22 VanDerWaalsContact O-N 3.17Å
19I97.8Very high97.2Very high36 Ų3665.8 Ų65.819%0.18535%0.347CS..Hα-helixtrans-61.8-44.7-179.7-65.7162.4000110.9G15 F16 Q23 D108 L112G15-I19 WeakPolarHBondContact O-CG1 3.31Å; G15-I19 PolarHBondContact O-N 2.82Å; G15-I19 VanDerWaalsContact O-N 3.13Å; F16-I19 PolarHBondContact O-N 2.74Å; I19-Q23 PolarHBondContact O-NE2 3.08Å; I19-D108 HydrophobicContact CG2-CB 4.26Å; I19-L112 HydrophobicContact CG2-CD2 4.35Å
20L98.4Very high97.5Very high0 Ų061.6 Ų61.60%033%0.33CS..Hα-helixtrans-73.9-44.3-176.4-60.6-177.3000112.2I3 I5 F16 M18 Y22 Q23 M26 V28 L51 L111 L112 I115I3-L20 HydrophobicContact CD1-CD1 4.06Å; I3-L20 HydrophobicContact CG2-CD1 4.06Å; I5-L20 HydrophobicContact CD1-CD1 4.04Å; I5-L20 HydrophobicContact CG1-CD1 4.48Å; F16-L20 WeakPolarHBondContact O-CB 3.34Å; F16-L20 WeakPolarHBondContact O-CG 3.25Å; F16-L20 PolarHBondContact O-N 3.36Å; M18-L20 PolarHBondContact O-N 3.11Å; L20-Y22 PolarHBondContact O-N 3.48Å; L20-Q23 WeakPolarHBondContact O-CB 3.48Å; L20-Q23 PolarHBondContact O-N 2.92Å; L20-M26 HydrophobicContact CD2-SD 3.88Å; L20-M26 WeakPolarHBondContact O-CB 3.17Å; L20-V28 HydrophobicContact CB-CG2 3.73Å; L20-V28 HydrophobicContact CD1-CG2 3.92Å; L20-V28 HydrophobicContact CG-CG2 4.44Å; L20-L51 HydrophobicContact CD1-CD1 3.87Å; L20-L111 HydrophobicContact CD2-CD2 4.49Å; L20-L112 HydrophobicContact CD2-CD2 3.8Å; L20-I115 HydrophobicContact CD1-CD1 4.03Å; L20-I115 HydrophobicContact CD2-CD1 3.33Å; L20-I115 HydrophobicContact CG-CD1 4.33Å
21N98.2Very high97.6Very high84 Ų8461.4 Ų61.445%0.44932%0.323SS..Hα-helixtrans-69.1-15.9177.9-72.9-34000113.3S17 Q23 V28S17-N21 WeakPolarHBondContact O-CB 3.31Å; S17-N21 VanDerWaalsContact O-CG 3.29Å; S17-N21 PolarHBondContact O-N 2.84Å; S17-N21 PolarHBondContact O-ND2 2.85Å; S17-N21 VanDerWaalsContact O-ND2 3.12Å; N21-Q23 PolarHBondContact O-N 2.95Å; N21-V28 PolarHBondContact OD1-N 2.87Å
22Y97.8Very high97.8Very high196 Ų19656.1 Ų56.177%0.76929%0.291SS*.THydrogen-bonded Turntrans-71.4-17.5170.4-172.3-101.6000112.6M18 L20M18-Y22 WeakPolarHBondContact O-CB 3.35Å; M18-Y22 PolarHBondContact O-N 3.36Å; M18-Y22 VanDerWaalsContact O-N 3.17Å; L20-Y22 PolarHBondContact O-N 3.48Å
23Q98.3Very high97.9Very high39 Ų3956.7 Ų56.718%0.18230%0.298CS..SBendtrans-85132.6178.9-49.8-58.9-59.400111.3I19 L20 N21 D25 M26 L112 R116I19-Q23 PolarHBondContact O-NE2 3.08Å; L20-Q23 WeakPolarHBondContact O-CB 3.48Å; L20-Q23 PolarHBondContact O-N 2.92Å; N21-Q23 PolarHBondContact O-N 2.95Å; Q23-D25 WeakPolarHBondContact CB-OD1 3.29Å; Q23-D25 PolarHBondContact O-N 3.16Å; Q23-D25 VanDerWaalsContact O-N 3.14Å; Q23-M26 HydrophobicContact CB-CB 4.09Å; Q23-M26 HydrophobicContact CB-CG 4.04Å; Q23-M26 HydrophobicContact CB-SD 4.18Å; Q23-M26 HydrophobicContact CG-SD 3.99Å; Q23-M26 PolarHBondContact O-N 3.29Å; Q23-L112 HydrophobicContact CG-CD1 4.33Å; Q23-L112 HydrophobicContact CG-CD2 3.55Å; Q23-R116 VanDerWaalsContact OE1-NH2 3.13Å
24N97.1Very high97.7Very high177 Ų17756.6 Ų56.695%0.94730%0.301SS*.THydrogen-bonded Turntrans-64.1-20.4179-65.2-37.6000113.9
25D98.1Very high97.5Very high65 Ų6553 Ų5335%0.34828%0.279SS..THydrogen-bonded Turntrans-99.20.5-177.662.7-42.9000114M1 Q23 R116M1-D25 WeakPolarHBondContact CB-O 3.44Å; M1-D25 PolarHBondContact N-O 3.33Å; Q23-D25 WeakPolarHBondContact CB-OD1 3.29Å; Q23-D25 PolarHBondContact O-N 3.16Å; Q23-D25 VanDerWaalsContact O-N 3.14Å; D25-R116 IonicContact OD1-CZ 3.73Å; D25-R116 IonicContact OD1-NE 2.61Å; D25-R116 IonicContact OD1-NH2 2.81Å; D25-R116 PolarHBondContact OD1-NH2 3.34Å; D25-R116 IonicContact OD2-CZ 3.54Å; D25-R116 IonicContact OD2-NE 2.7Å; D25-R116 PolarHBondContact OD2-NE 3.49Å; D25-R116 IonicContact OD2-NH2 3.36Å; D25-R116 PolarHBondContact OD2-NH2 3.49Å
26M98.4Very high97.4Very high12 Ų1254.9 Ų54.96%0.05929%0.285CS..  trans-130.3149.6-173.6-56.4-178.8-178.400112.5M1 I3 L20 Q23 L112 I115 R116M1-M26 HydrophobicContact CB-CG 4.48Å; M1-M26 HydrophobicContact CE-CE 4.31Å; M1-M26 CarbonylContact O-C 3.52Å; I3-M26 HydrophobicContact CD1-CB 3.99Å; I3-M26 HydrophobicContact CD1-CG 4.06Å; I3-M26 HydrophobicContact CD1-SD 3.97Å; L20-M26 HydrophobicContact CD2-SD 3.88Å; L20-M26 WeakPolarHBondContact O-CB 3.17Å; Q23-M26 HydrophobicContact CB-CB 4.09Å; Q23-M26 HydrophobicContact CB-CG 4.04Å; Q23-M26 HydrophobicContact CB-SD 4.18Å; Q23-M26 HydrophobicContact CG-SD 3.99Å; Q23-M26 PolarHBondContact O-N 3.29Å; M26-L112 HydrophobicContact CE-CD2 4.11Å; M26-L112 HydrophobicContact SD-CD2 3.93Å; M26-I115 HydrophobicContact CE-CB 4.21Å; M26-I115 HydrophobicContact CE-CG2 3.71Å; M26-I115 HydrophobicContact SD-CG2 4.13Å; M26-R116 HydrophobicContact CE-CG 3.63Å
27E98.6Very high97.4Very high108 Ų10856.6 Ų56.651%0.50529%0.293SS..EExtended strand (participates in β ladder)trans-145.8122.4176.2-177.8-172.7-178.300108.7M1 I3 V29M1-E27 PolarHBondContact O-N 2.98Å; I3-E27 PolarHBondContact N-O 3.25Å; E27-V29 HydrophobicContact CG-CG1 3.99Å; E27-V29 PolarHBondContact O-N 2.87Å
28V98.7Very high97.4Very high20 Ų2055.6 Ų55.612%0.12129%0.286CS..EExtended strand (participates in β ladder)trans-83.2104.4171.1-177.50000108.9I3 I5 L20 N21 T31I3-V28 HydrophobicContact CB-CG2 4.47Å; I3-V28 CarbonylContact O-C 3.44Å; I3-V28 WeakPolarHBondContact O-CA 3.12Å; I5-V28 HydrophobicContact CD1-CG1 3.97Å; I5-V28 HydrophobicContact CD1-CG2 3.99Å; I5-V28 HydrophobicContact CG1-CG1 4.05Å; I5-V28 HydrophobicContact CG1-CG2 4.48Å; L20-V28 HydrophobicContact CB-CG2 3.73Å; L20-V28 HydrophobicContact CD1-CG2 3.92Å; L20-V28 HydrophobicContact CG-CG2 4.44Å; N21-V28 PolarHBondContact OD1-N 2.87Å; V28-T31 HydrophobicContact CG1-CG2 4.17Å
29V98.6Very high97.3Very high27 Ų2752.7 Ų52.716%0.16427%0.269CS..EExtended strand (participates in β ladder)trans-86.2-24.1-173.4-64.80000113.1K2 I3 V4 E27 Y45K2-V29 HydrophobicContact CB-CG1 3.94Å; K2-V29 HydrophobicContact CB-CG2 4.21Å; K2-V29 HydrophobicContact CD-CG1 4.11Å; K2-V29 HydrophobicContact CG-CG1 3.79Å; I3-V29 WeakPolarHBondContact O-CG2 3.26Å; I3-V29 PolarHBondContact O-N 2.95Å; V4-V29 HydrophobicContact CG2-CG2 3.92Å; E27-V29 HydrophobicContact CG-CG1 3.99Å; E27-V29 PolarHBondContact O-N 2.87Å; V29-Y45 HydrophobicContact CB-CD1 3.77Å; V29-Y45 HydrophobicContact CB-CE1 4.4Å; V29-Y45 HydrophobicContact CB-CG 4.29Å; V29-Y45 HydrophobicContact CG2-CD1 3.91Å; V29-Y45 HydrophobicContact CG2-CG 3.93Å; V29-Y45 WeakPolarHBondContact O-CE1 3.49Å
30A98.6Very high97.4Very high13 Ų1355.9 Ų55.911%0.10728%0.283CS..EExtended strand (participates in β ladder)trans-160165172.600000111.6V4 I5 K41 Y45V4-A30 WeakPolarHBondContact CA-O 3.4Å; V4-A30 HydrophobicContact CG2-CB 4.11Å; I5-A30 PolarHBondContact N-O 3.1Å; A30-K41 HydrophobicContact CB-CB 4.11Å; A30-K41 HydrophobicContact CB-CD 3.87Å; A30-K41 HydrophobicContact CB-CG 4Å; A30-Y45 HydrophobicContact CB-CD2 3.69Å; A30-Y45 HydrophobicContact CB-CE2 3.68Å; A30-Y45 HydrophobicContact CB-CG 4.3Å
31T98.4Very high97.4Very high51 Ų5158.1 Ų58.131%0.31329%0.292SS..EExtended strand (participates in β ladder)trans-127.8154.3171.467.60000109.8I5 R13 V28I5-T31 CarbonylContact O-C 3.56Å; I5-T31 WeakPolarHBondContact O-CA 3.2Å; R13-T31 HydrophobicContact CB-CG2 4.3Å; V28-T31 HydrophobicContact CG1-CG2 4.17Å
32A98.1Very high97.4Very high0 Ų054.1 Ų54.10%027%0.271CS..EExtended strand (participates in β ladder)trans-134.8144.4178.200000111.3I5 A6 D7 R13 E37 A38 K41I5-A32 PolarHBondContact O-N 3.19Å; A6-A32 WeakPolarHBondContact CA-O 3.37Å; A6-A32 HydrophobicContact CB-CB 4.03Å; D7-A32 PolarHBondContact N-O 3.47Å; R13-A32 WeakPolarHBondContact CD-O 3.43Å; A32-E37 WeakPolarHBondContact CA-OE2 3.41Å; A32-E37 HydrophobicContact CB-CB 3.84Å; A32-E37 HydrophobicContact CB-CG 3.68Å; A32-A38 HydrophobicContact CB-CB 3.97Å; A32-A38 VanDerWaalsContact CB-N 3.34Å; A32-K41 HydrophobicContact CB-CG 4.34Å
33A95.9Very high97.4Very high35 Ų3549.7 Ų49.729%0.28926%0.259SS..SBendtrans-97.6-11.4-179.900000114D8 E37D8-A33 WeakPolarHBondContact CA-O 3.2Å; A33-E37 PolarHBondContact N-OE2 2.88Å
34D93.5Very high97.4Very high44 Ų4453.3 Ų53.324%0.23528%0.275CS..SBendtrans-153.4176.9175.766.645.3000111.9V36 E37 A38 M56D34-V36 VanDerWaalsContact C-N 3.32Å; D34-V36 PolarHBondContact O-N 2.71Å; D34-V36 WeakPolarHBondContact OD1-CA 3.4Å; D34-V36 WeakPolarHBondContact OD1-CB 3.49Å; D34-V36 PolarHBondContact OD1-N 2.78Å; D34-E37 PolarHBondContact O-N 3.29Å; D34-E37 PolarHBondContact OD1-N 3.24Å; D34-A38 VanDerWaalsContact O-CB 3.31Å; D34-A38 WeakPolarHBondContact O-CB 3.31Å; D34-A38 PolarHBondContact O-N 2.77Å; D34-M56 HydrophobicContact CB-CB 4.5Å
35G92.9Very high97.5Very high0 Ų048.6 Ų48.60%025%0.245CC..Hα-helixtrans-65.8-28.2-178.800000114.9Y39 M56 E60G35-Y39 PolarHBondContact O-N 2.87Å; G35-Y39 VanDerWaalsContact O-N 3.08Å; G35-M56 VanDerWaalsContact N-CE 3.26Å; G35-E60 VanDerWaalsContact CA-O 3.29Å; G35-E60 WeakPolarHBondContact CA-O 3.45Å; G35-E60 PolarHBondContact N-O 2.89Å
36V94.1Very high97.5Very high66 Ų6652.7 Ų52.740%0.426%0.26SS..Hα-helixtrans-72.6-48.8176.7177.10000109.6D34 A38 Y39 Q40 E60D34-V36 VanDerWaalsContact C-N 3.32Å; D34-V36 PolarHBondContact O-N 2.71Å; D34-V36 WeakPolarHBondContact OD1-CA 3.4Å; D34-V36 WeakPolarHBondContact OD1-CB 3.49Å; D34-V36 PolarHBondContact OD1-N 2.78Å; V36-A38 VanDerWaalsContact C-N 3.27Å; V36-A38 PolarHBondContact O-N 3.38Å; V36-Y39 PolarHBondContact O-N 3.25Å; V36-Q40 WeakPolarHBondContact O-CG 3.49Å; V36-Q40 PolarHBondContact O-N 3.08Å; V36-E60 HydrophobicContact CG2-CB 3.74Å
37E97.3Very high97.5Very high60 Ų6052.2 Ų52.228%0.2826%0.258SS..Hα-helixtrans-61.6-40.2175.3-172.1178.2-169.900110.2A32 A33 D34 Y39 Q40 K41A32-E37 WeakPolarHBondContact CA-OE2 3.41Å; A32-E37 HydrophobicContact CB-CB 3.84Å; A32-E37 HydrophobicContact CB-CG 3.68Å; A33-E37 PolarHBondContact N-OE2 2.88Å; D34-E37 PolarHBondContact O-N 3.29Å; D34-E37 PolarHBondContact OD1-N 3.24Å; E37-Y39 PolarHBondContact O-N 2.87Å; E37-Q40 WeakPolarHBondContact O-CB 3.34Å; E37-Q40 PolarHBondContact O-N 3.41Å; E37-Q40 VanDerWaalsContact O-N 3.12Å; E37-K41 HydrophobicContact CG-CG 4.12Å; E37-K41 WeakPolarHBondContact O-CG 3.4Å; E37-K41 PolarHBondContact O-N 3.29Å; E37-K41 WeakPolarHBondContact OE1-CE 3.47Å
38A98Very high97.5Very high0 Ų050 Ų500%025%0.249CC..Hα-helixtrans-58.3-46.1176.800000111.8A6 A32 D34 V36 Q40 K41 V42 M52 I69A6-A38 HydrophobicContact CB-CB 3.6Å; A32-A38 HydrophobicContact CB-CB 3.97Å; A32-A38 VanDerWaalsContact CB-N 3.34Å; D34-A38 VanDerWaalsContact O-CB 3.31Å; D34-A38 WeakPolarHBondContact O-CB 3.31Å; D34-A38 PolarHBondContact O-N 2.77Å; V36-A38 VanDerWaalsContact C-N 3.27Å; V36-A38 PolarHBondContact O-N 3.38Å; A38-Q40 VanDerWaalsContact C-N 3.34Å; A38-Q40 PolarHBondContact O-N 2.82Å; A38-K41 PolarHBondContact O-N 3.13Å; A38-V42 VanDerWaalsContact O-CG2 3.3Å; A38-V42 WeakPolarHBondContact O-CG2 3.24Å; A38-V42 PolarHBondContact O-N 2.99Å; A38-M52 HydrophobicContact CB-CE 3.57Å; A38-M52 HydrophobicContact CB-SD 4.49Å; A38-I69 HydrophobicContact CB-CD1 4.44Å
39Y97.4Very high97.5Very high74 Ų7449 Ų4929%0.2924%0.243SC..Hα-helixtrans-59.6-44.8174.9-174-85.1000111.8G35 V36 E37 V42 M43 K68 I69 S72 F73G35-Y39 PolarHBondContact O-N 2.87Å; G35-Y39 VanDerWaalsContact O-N 3.08Å; V36-Y39 PolarHBondContact O-N 3.25Å; E37-Y39 PolarHBondContact O-N 2.87Å; Y39-V42 PolarHBondContact O-N 2.85Å; Y39-M43 WeakPolarHBondContact O-CB 3.2Å; Y39-M43 PolarHBondContact O-N 2.85Å; Y39-K68 HydrophobicContact CD2-CB 4.13Å; Y39-K68 HydrophobicContact CE2-CB 4.18Å; Y39-I69 HydrophobicContact CD2-CG1 3.77Å; Y39-I69 HydrophobicContact CG-CG1 4.49Å; Y39-S72 PolarHBondContact OH-OG 2.93Å; Y39-F73 HydrophobicContact CD2-CE2 4.35Å; Y39-F73 HydrophobicContact CE1-CE2 4.33Å; Y39-F73 AromaticContact CE2-CE2 3.84Å; Y39-F73 HydrophobicContact CE2-CE2 3.84Å; Y39-F73 AromaticContact CZ-CE2 3.83Å
40Q98.1Very high97.5Very high102 Ų10247.7 Ų47.748%0.47724%0.235SC..Hα-helixtrans-62.8-45178.4-69.2173.2-4.500112.1V36 E37 A38 M43 E44V36-Q40 WeakPolarHBondContact O-CG 3.49Å; V36-Q40 PolarHBondContact O-N 3.08Å; E37-Q40 WeakPolarHBondContact O-CB 3.34Å; E37-Q40 PolarHBondContact O-N 3.41Å; E37-Q40 VanDerWaalsContact O-N 3.12Å; A38-Q40 VanDerWaalsContact C-N 3.34Å; A38-Q40 PolarHBondContact O-N 2.82Å; Q40-M43 WeakPolarHBondContact O-CB 3.4Å; Q40-M43 PolarHBondContact O-N 3.44Å; Q40-E44 WeakPolarHBondContact O-CB 3.31Å; Q40-E44 PolarHBondContact O-N 2.68Å
41K98.6Very high97.4Very high47 Ų4747.1 Ų47.120%0.20423%0.23CC..Hα-helixtrans-66.1-38.1177.6-63.9-49.4179.5-176.10112.1V4 A30 A32 E37 A38 E44 Y45V4-K41 HydrophobicContact CG1-CB 4Å; V4-K41 HydrophobicContact CG2-CB 4.42Å; A30-K41 HydrophobicContact CB-CB 4.11Å; A30-K41 HydrophobicContact CB-CD 3.87Å; A30-K41 HydrophobicContact CB-CG 4Å; A32-K41 HydrophobicContact CB-CG 4.34Å; E37-K41 HydrophobicContact CG-CG 4.12Å; E37-K41 WeakPolarHBondContact O-CG 3.4Å; E37-K41 PolarHBondContact O-N 3.29Å; E37-K41 WeakPolarHBondContact OE1-CE 3.47Å; A38-K41 PolarHBondContact O-N 3.13Å; K41-E44 IonicContact NZ-OE2 2.85Å; K41-E44 PolarHBondContact O-N 3.18Å; K41-Y45 HydrophobicContact CB-CD2 4.45Å; K41-Y45 HydrophobicContact CD-CD2 4.36Å; K41-Y45 HydrophobicContact CD-CE2 4.05Å; K41-Y45 WeakPolarHBondContact O-CB 3.47Å; K41-Y45 WeakPolarHBondContact O-CD2 3.27Å; K41-Y45 PolarHBondContact O-N 2.86Å
42V98.6Very high97.3Very high0 Ų044.7 Ų44.70%022%0.215CC..Hα-helixtrans-64.8-42.8173.9171.50000111.1A38 Y39 E44 K46 P47 L50 I69 F73 T76A38-V42 VanDerWaalsContact O-CG2 3.3Å; A38-V42 WeakPolarHBondContact O-CG2 3.24Å; A38-V42 PolarHBondContact O-N 2.99Å; Y39-V42 PolarHBondContact O-N 2.85Å; V42-E44 VanDerWaalsContact C-N 3.33Å; V42-E44 PolarHBondContact O-N 3.47Å; V42-K46 VanDerWaalsContact O-CA 3.24Å; V42-K46 WeakPolarHBondContact O-CA 3.46Å; V42-K46 PolarHBondContact O-N 2.84Å; V42-P47 HydrophobicContact CG2-CG 4.01Å; V42-L50 HydrophobicContact CG2-CD1 4.09Å; V42-L50 HydrophobicContact CG2-CD2 3.84Å; V42-L50 HydrophobicContact CG2-CG 4.4Å; V42-I69 HydrophobicContact CB-CG2 4.5Å; V42-I69 HydrophobicContact CG1-CG2 3.94Å; V42-I69 HydrophobicContact CG2-CD1 4.22Å; V42-I69 HydrophobicContact CG2-CG2 4.33Å; V42-F73 HydrophobicContact CB-CD2 4.47Å; V42-F73 HydrophobicContact CG1-CB 3.95Å; V42-F73 HydrophobicContact CG1-CD1 4.38Å; V42-F73 HydrophobicContact CG1-CD2 3.54Å; V42-F73 HydrophobicContact CG1-CE2 4.11Å; V42-F73 HydrophobicContact CG1-CG 3.7Å; V42-T76 HydrophobicContact CG1-CG2 4.3Å; V42-T76 HydrophobicContact CG2-CG2 4.48Å
43M98.2Very high97.1Very high103 Ų10344.9 Ų44.951%0.50722%0.216SC..Hα-helixtrans-60.6-42.1176.5-176.3179.568.700112.3Y39 Q40 F73Y39-M43 WeakPolarHBondContact O-CB 3.2Å; Y39-M43 PolarHBondContact O-N 2.85Å; Q40-M43 WeakPolarHBondContact O-CB 3.4Å; Q40-M43 PolarHBondContact O-N 3.44Å; M43-F73 HydrophobicContact CB-CE1 4.34Å; M43-F73 HydrophobicContact CB-CE2 4.26Å; M43-F73 HydrophobicContact CB-CZ 3.61Å; M43-F73 HydrophobicContact CG-CE1 4.44Å; M43-F73 HydrophobicContact CG-CZ 3.89Å
44E98.4Very high96.6Very high115 Ų11543.2 Ų43.254%0.53720%0.203SC..Hα-helixtrans-72.7-50.4-178.8-173.9-175.9162.200112.4Q40 K41 V42Q40-E44 WeakPolarHBondContact O-CB 3.31Å; Q40-E44 PolarHBondContact O-N 2.68Å; K41-E44 IonicContact NZ-OE2 2.85Å; K41-E44 PolarHBondContact O-N 3.18Å; V42-E44 VanDerWaalsContact C-N 3.33Å; V42-E44 PolarHBondContact O-N 3.47Å
45Y98.4Very high96.2Very high79 Ų7942.5 Ų42.531%0.3120%0.201SC..Hα-helixtrans-96.8-17.4-169.4-68.7-86.9000114.5V29 A30 K41V29-Y45 HydrophobicContact CB-CD1 3.77Å; V29-Y45 HydrophobicContact CB-CE1 4.4Å; V29-Y45 HydrophobicContact CB-CG 4.29Å; V29-Y45 HydrophobicContact CG2-CD1 3.91Å; V29-Y45 HydrophobicContact CG2-CG 3.93Å; V29-Y45 WeakPolarHBondContact O-CE1 3.49Å; A30-Y45 HydrophobicContact CB-CD2 3.69Å; A30-Y45 HydrophobicContact CB-CE2 3.68Å; A30-Y45 HydrophobicContact CB-CG 4.3Å; K41-Y45 HydrophobicContact CB-CD2 4.45Å; K41-Y45 HydrophobicContact CD-CD2 4.36Å; K41-Y45 HydrophobicContact CD-CE2 4.05Å; K41-Y45 WeakPolarHBondContact O-CB 3.47Å; K41-Y45 WeakPolarHBondContact O-CD2 3.27Å; K41-Y45 PolarHBondContact O-N 2.86Å
46K98.1Very high95.9Very high150 Ų15042.5 Ų42.565%0.65220%0.201SC*.  trans43.659.4-174.4-60.4-179.2-179.3179.30112V42V42-K46 VanDerWaalsContact O-CA 3.24Å; V42-K46 WeakPolarHBondContact O-CA 3.46Å; V42-K46 PolarHBondContact O-N 2.84Å
47P98.6Very high95Very high3 Ų341.8 Ų41.82%0.01920%0.198CC..  trans-65.8152.9-175.930.7-37000111.7K2 V4 V42 T76K2-P47 HydrophobicContact CB-CB 4.5Å; K2-P47 WeakPolarHBondContact O-CB 3.31Å; V4-P47 HydrophobicContact CB-CB 4.33Å; V4-P47 HydrophobicContact CB-CG 4.04Å; V4-P47 HydrophobicContact CG2-CB 3.86Å; V4-P47 HydrophobicContact CG2-CG 3.67Å; V42-P47 HydrophobicContact CG2-CG 4.01Å; P47-T76 HydrophobicContact CG-CG2 4.04Å; P47-T76 PolarHBondContact O-OG1 3.02Å
48D98.6Very high93.8Very high60 Ų6043.6 Ų43.632%0.32122%0.215SC..SBendtrans-68.2-41.7171.8-57.7-57000110.2M1 K2 K77 Y119M1-D48 VanDerWaalsContact CA-OD2 3.23Å; M1-D48 WeakPolarHBondContact CA-OD2 3.44Å; M1-D48 HydrophobicContact CG-CB 3.94Å; K2-D48 PolarHBondContact N-OD2 3.24Å; K2-D48 PolarHBondContact O-N 3.36Å; D48-K77 PolarHBondContact O-N 3.33Å; D48-Y119 HydrophobicContact CB-CD2 3.78Å; D48-Y119 HydrophobicContact CB-CE2 3.71Å
49V98.6Very high92.9Very high0 Ų044.8 Ų44.80%023%0.228CC..EExtended strand (participates in β ladder)trans-129.6135.9-178.6-179.10000110.7M1 K2 I3 V4 L51 K77 I115 V118 Y119M1-V49 HydrophobicContact CG-CG2 4.37Å; M1-V49 HydrophobicContact SD-CB 4.48Å; M1-V49 HydrophobicContact SD-CG2 3.76Å; K2-V49 PolarHBondContact O-N 2.94Å; I3-V49 VanDerWaalsContact CA-O 3.31Å; I3-V49 WeakPolarHBondContact CA-O 3.06Å; I3-V49 HydrophobicContact CG1-CB 4.39Å; V4-V49 PolarHBondContact N-O 3.29Å; V4-V49 VanDerWaalsContact N-O 3.08Å; V49-L51 HydrophobicContact CG1-CD2 4.1Å; V49-K77 CarbonylContact C-O 3.52Å; V49-K77 VanDerWaalsContact CA-O 3.28Å; V49-K77 WeakPolarHBondContact CA-O 3.38Å; V49-I115 HydrophobicContact CG1-CG2 4.5Å; V49-V118 HydrophobicContact CG1-CG2 3.96Å; V49-V118 HydrophobicContact CG2-CG2 4.13Å; V49-Y119 HydrophobicContact CG2-CD2 4.35Å
50L98.6Very high92.2Very high0 Ų042.4 Ų42.40%022%0.219CC..EExtended strand (participates in β ladder)trans-113119.4170.3173.364.7000108.9V4 A6 V42 M52 I69 T76 K77 I78 L79V4-L50 HydrophobicContact CB-CD1 3.85Å; V4-L50 HydrophobicContact CG1-CD1 3.65Å; V4-L50 WeakPolarHBondContact O-CA 3.38Å; A6-L50 HydrophobicContact CB-CD1 4.34Å; V42-L50 HydrophobicContact CG2-CD1 4.09Å; V42-L50 HydrophobicContact CG2-CD2 3.84Å; V42-L50 HydrophobicContact CG2-CG 4.4Å; L50-M52 HydrophobicContact CD1-CE 4.31Å; L50-M52 HydrophobicContact CD2-CB 4.49Å; L50-M52 HydrophobicContact CD2-CE 3.45Å; L50-M52 VanDerWaalsContact CD2-CE 3.45Å; L50-M52 HydrophobicContact CG-CB 4.29Å; L50-M52 HydrophobicContact CG-CE 4.09Å; L50-I69 HydrophobicContact CD2-CD1 3.59Å; L50-I69 HydrophobicContact CD2-CG2 4.15Å; L50-T76 HydrophobicContact CB-CG2 3.71Å; L50-K77 PolarHBondContact N-O 3.33Å; L50-I78 HydrophobicContact CB-CG1 4.45Å; L50-I78 HydrophobicContact CD2-CG1 4.2Å; L50-I78 HydrophobicContact CD2-CG2 4.4Å; L50-I78 WeakPolarHBondContact O-CA 3.28Å; L50-L79 PolarHBondContact O-N 3.09Å
51L97.8Very high91.5Very high0 Ų038 Ų380%020%0.199CC..EExtended strand (participates in β ladder)trans-84.2120.5165-54.5-169.3000108I3 V4 I5 A6 F16 L20 V49 L79 L81 L111 I115I3-L51 HydrophobicContact CG2-CG 4.17Å; V4-L51 PolarHBondContact O-N 2.86Å; I5-L51 HydrophobicContact CG1-CD1 4.23Å; I5-L51 HydrophobicContact CG2-CB 4.35Å; A6-L51 PolarHBondContact N-O 3.42Å; F16-L51 HydrophobicContact CD2-CD1 3.98Å; L20-L51 HydrophobicContact CD1-CD1 3.87Å; V49-L51 HydrophobicContact CG1-CD2 4.1Å; L51-L79 WeakPolarHBondContact CA-O 3.47Å; L51-L79 HydrophobicContact CD2-CB 3.84Å; L51-L79 HydrophobicContact CD2-CD2 3.72Å; L51-L79 HydrophobicContact CD2-CG 4.09Å; L51-L81 HydrophobicContact CB-CD1 4.07Å; L51-L81 HydrophobicContact CB-CD2 4.31Å; L51-L81 HydrophobicContact CB-CG 4.16Å; L51-L111 HydrophobicContact CD1-CD1 4.43Å; L51-I115 HydrophobicContact CD1-CD1 4.08Å; L51-I115 HydrophobicContact CD2-CD1 4.15Å; L51-I115 HydrophobicContact CD2-CG1 3.97Å
52M95.8Very high91.1Very high0 Ų035.8 Ų35.80%019%0.19CC..EExtended strand (participates in β ladder)trans-126.7112.9-172176.566.265.700110.9A6 A38 L50 M56 G62 A65 I69 I78 L79 I80 L81A6-M52 HydrophobicContact CB-CE 4.01Å; A6-M52 HydrophobicContact CB-SD 3.89Å; A38-M52 HydrophobicContact CB-CE 3.57Å; A38-M52 HydrophobicContact CB-SD 4.49Å; L50-M52 HydrophobicContact CD1-CE 4.31Å; L50-M52 HydrophobicContact CD2-CB 4.49Å; L50-M52 HydrophobicContact CD2-CE 3.45Å; L50-M52 VanDerWaalsContact CD2-CE 3.45Å; L50-M52 HydrophobicContact CG-CB 4.29Å; L50-M52 HydrophobicContact CG-CE 4.09Å; M52-M56 HydrophobicContact SD-CE 3.53Å; M52-M56 VanDerWaalsContact SD-CE 3.53Å; M52-G62 WeakPolarHBondContact SD-CA 3.45Å; M52-A65 HydrophobicContact CE-CB 3.94Å; M52-A65 HydrophobicContact SD-CB 4.33Å; M52-I69 HydrophobicContact CE-CD1 3.84Å; M52-I78 HydrophobicContact CB-CG2 3.87Å; M52-L79 PolarHBondContact N-O 3.19Å; M52-I80 HydrophobicContact CB-CD1 4Å; M52-I80 HydrophobicContact CG-CD1 4.12Å; M52-I80 CarbonylContact O-C 3.59Å; M52-I80 VanDerWaalsContact O-CA 3.28Å; M52-I80 WeakPolarHBondContact O-CA 3.45Å; M52-L81 PolarHBondContact O-N 3Å
53D93.2Very high90.4Very high4 Ų436.2 Ų36.22%0.02119%0.192CC..EExtended strand (participates in β ladder)trans-69.7143.3164.3-172.623.8000111.8A6 D7 M56 G62 K104A6-D53 WeakPolarHBondContact O-CB 3.41Å; A6-D53 PolarHBondContact O-N 3.17Å; D7-D53 HydrophobicContact CB-CB 4.18Å; D53-M56 HydrophobicContact CB-CG 3.96Å; D53-M56 HydrophobicContact CB-SD 4.24Å; D53-M56 WeakPolarHBondContact O-CE 3.45Å; D53-G62 VanDerWaalsContact O-CA 3.25Å; D53-G62 WeakPolarHBondContact O-CA 3.35Å; D53-K104 WeakPolarHBondContact OD1-CE 3.48Å; D53-K104 IonicContact OD1-NZ 3.82Å; D53-K104 PolarHBondContact OD1-NZ 2.75Å; D53-K104 IonicContact OD2-NZ 3.57Å; D53-K104 PolarHBondContact OD2-NZ 2.59Å
54L86.7Confident89.8Confident0 Ų031.8 Ų31.80%017%0.17CC..SBendtrans-85.3-37.4179-59.9-176.3000112.9S61 G62 L63 I80 D86 V93 F217L54-S61 PolarHBondContact O-OG 3.45Å; L54-G62 PolarHBondContact O-N 2.99Å; L54-L63 HydrophobicContact CD2-CB 4.47Å; L54-I80 HydrophobicContact CD1-CG2 3.83Å; L54-I80 HydrophobicContact CD2-CD1 3.81Å; L54-I80 HydrophobicContact CD2-CG1 4.31Å; L54-I80 HydrophobicContact CD2-CG2 3.68Å; L54-I80 HydrophobicContact CG-CG2 3.5Å; L54-D86 HydrophobicContact CD1-CB 4.47Å; L54-V93 HydrophobicContact CD1-CG1 3.81Å; L54-V93 HydrophobicContact CD2-CG1 3.6Å; L54-V93 HydrophobicContact CG-CG1 4.38Å; L54-F217 HydrophobicContact CB-CE1 3.86Å
55S83.7Confident89.5Confident29 Ų2926.3 Ų26.320%0.20315%0.145CC..  trans-100.198.7-177.8-177.40000110.1P57 E216S55-P57 WeakPolarHBondContact O-CD 3.37Å; S55-P57 WeakPolarHBondContact OG-CD 3.45Å; S55-E216 WeakPolarHBondContact CB-O 3.18Å; S55-E216 PolarHBondContact OG-O 3.5Å
56M86.6Confident89.2Confident0 Ų022.5 Ų22.50%013%0.13CC..  trans-123.457.8178.4-64.1-175.6-72.600112.7A6 D8 D34 G35 M52 D53 G59A6-M56 HydrophobicContact CB-SD 4.22Å; D8-M56 HydrophobicContact CB-CB 4.14Å; D8-M56 HydrophobicContact CB-CG 4.28Å; D34-M56 HydrophobicContact CB-CB 4.5Å; G35-M56 VanDerWaalsContact N-CE 3.26Å; M52-M56 HydrophobicContact SD-CE 3.53Å; M52-M56 VanDerWaalsContact SD-CE 3.53Å; D53-M56 HydrophobicContact CB-CG 3.96Å; D53-M56 HydrophobicContact CB-SD 4.24Å; D53-M56 WeakPolarHBondContact O-CE 3.45Å; M56-G59 CarbonylContact O-C 3.49Å; M56-G59 WeakPolarHBondContact O-CA 3.3Å; M56-G59 PolarHBondContact O-N 2.94Å
57P76.6Confident88.8Confident52 Ų5215.9 Ų15.934%0.33810%0.102SC..THydrogen-bonded Turntrans-65.7150175.730.9-35.5000110.9S55 G59S55-P57 WeakPolarHBondContact O-CD 3.37Å; S55-P57 WeakPolarHBondContact OG-CD 3.45Å; P57-G59 VanDerWaalsContact C-N 3.32Å
58P72.4Confident88.5Confident97 Ų9718.7 Ų18.763%0.6311%0.114SC*.THydrogen-bonded Turncis-85.98.7-2.136.9-36.9000114.1K178P58-K178 VanDerWaalsContact CB-NZ 3.28Å
59G78.2Confident88.4Confident26 Ų2615.8 Ų15.827%0.26810%0.099SC..SBendtrans-83.1-170.2-175.600000113.8M56 P57 S61M56-G59 CarbonylContact O-C 3.49Å; M56-G59 WeakPolarHBondContact O-CA 3.3Å; M56-G59 PolarHBondContact O-N 2.94Å; P57-G59 VanDerWaalsContact C-N 3.32Å; G59-S61 PolarHBondContact O-N 2.8Å
60E81.9Confident88.2Confident24 Ų2416.8 Ų16.811%0.11211%0.107CC..  trans-65.6129.8175.7-179.8168.3115.800110.4G35 V36 I64 K68G35-E60 VanDerWaalsContact CA-O 3.29Å; G35-E60 WeakPolarHBondContact CA-O 3.45Å; G35-E60 PolarHBondContact N-O 2.89Å; V36-E60 HydrophobicContact CG2-CB 3.74Å; E60-I64 HydrophobicContact CG-CB 4.27Å; E60-I64 HydrophobicContact CG-CG2 4.18Å; E60-K68 IonicContact OE1-NZ 3.49Å; E60-K68 PolarHBondContact OE1-NZ 2.86Å; E60-K68 IonicContact OE2-NZ 3.32Å; E60-K68 PolarHBondContact OE2-NZ 2.84Å
61S85Confident88Confident9 Ų922.3 Ų22.36%0.06314%0.136CC..  trans-61.1142176.7164.80000111.7L54 G59 L63 I64 A65 F217L54-S61 PolarHBondContact O-OG 3.45Å; G59-S61 PolarHBondContact O-N 2.8Å; S61-L63 PolarHBondContact O-N 3.37Å; S61-L63 WeakPolarHBondContact OG-CB 3.45Å; S61-L63 PolarHBondContact OG-N 3.34Å; S61-L63 VanDerWaalsContact OG-N 3.16Å; S61-I64 PolarHBondContact O-N 3.11Å; S61-A65 PolarHBondContact O-N 3.35Å; S61-A65 VanDerWaalsContact O-N 3.17Å; S61-F217 WeakPolarHBondContact OG-CD1 3.39Å
62G88.7Confident88Confident0 Ų025 Ų250%016%0.155CC..Hα-helixtrans-64.3-20.5175.500000114.1M52 D53 L54 I64 T66M52-G62 WeakPolarHBondContact SD-CA 3.45Å; D53-G62 VanDerWaalsContact O-CA 3.25Å; D53-G62 WeakPolarHBondContact O-CA 3.35Å; L54-G62 PolarHBondContact O-N 2.99Å; G62-I64 PolarHBondContact O-N 3.44Å; G62-T66 WeakPolarHBondContact O-CB 3.49Å; G62-T66 PolarHBondContact O-N 2.94Å; G62-T66 PolarHBondContact O-OG1 2.94Å
63L84.6Confident88Confident10 Ų1026.9 Ų26.95%0.05216%0.164CC..Hα-helixtrans-58-39171.6-179.755.9000111.8L54 S61 V93 F152 F217L54-L63 HydrophobicContact CD2-CB 4.47Å; S61-L63 PolarHBondContact O-N 3.37Å; S61-L63 WeakPolarHBondContact OG-CB 3.45Å; S61-L63 PolarHBondContact OG-N 3.34Å; S61-L63 VanDerWaalsContact OG-N 3.16Å; L63-V93 HydrophobicContact CD1-CG1 3.37Å; L63-F152 HydrophobicContact CD2-CD1 4.5Å; L63-F152 HydrophobicContact CD2-CE1 3.4Å; L63-F152 HydrophobicContact CD2-CZ 3.77Å; L63-F152 HydrophobicContact CG-CE1 4.36Å; L63-F217 HydrophobicContact CD2-CE2 4.35Å; L63-F217 HydrophobicContact CD2-CZ 4.31Å
64I85.4Confident88.1Confident9 Ų930.9 Ų30.95%0.04619%0.19CC..Hα-helixtrans-85.2-42.6-177.2-67.1171.2000110.6E60 S61 G62 T66 S67 K68 E161E60-I64 HydrophobicContact CG-CB 4.27Å; E60-I64 HydrophobicContact CG-CG2 4.18Å; S61-I64 PolarHBondContact O-N 3.11Å; G62-I64 PolarHBondContact O-N 3.44Å; I64-T66 VanDerWaalsContact C-N 3.26Å; I64-T66 PolarHBondContact O-N 2.88Å; I64-S67 PolarHBondContact O-N 3.3Å; I64-K68 HydrophobicContact CG2-CD 4.28Å; I64-K68 WeakPolarHBondContact O-CG 3.35Å; I64-K68 PolarHBondContact O-N 3.21Å; I64-K68 VanDerWaalsContact O-N 3.11Å; I64-E161 HydrophobicContact CD1-CB 4.24Å; I64-E161 HydrophobicContact CD1-CG 2.97Å; I64-E161 WeakPolarHBondContact CD1-OE1 3.47Å; I64-E161 HydrophobicContact CG1-CG 4.44Å
65A91.6Very high88.6Confident0 Ų037.9 Ų37.90%022%0.223CC..Hα-helixtrans-57.5-42173.500000110.9M52 S61 S67 K68 I69M52-A65 HydrophobicContact CE-CB 3.94Å; M52-A65 HydrophobicContact SD-CB 4.33Å; S61-A65 PolarHBondContact O-N 3.35Å; S61-A65 VanDerWaalsContact O-N 3.17Å; A65-S67 PolarHBondContact O-N 3.4Å; A65-K68 PolarHBondContact O-N 2.88Å; A65-I69 HydrophobicContact CB-CD1 4.23Å; A65-I69 VanDerWaalsContact O-CB 3.28Å; A65-I69 WeakPolarHBondContact O-CB 3.31Å; A65-I69 WeakPolarHBondContact O-CD1 3.37Å; A65-I69 WeakPolarHBondContact O-CG1 3.33Å; A65-I69 PolarHBondContact O-N 3.44Å
66T92.6Very high89.3Confident0 Ų037 Ų370%022%0.216CC..Hα-helixtrans-53-52.3177.1-66.60000111.4G62 I64 I69 A70 I78 I80 A98G62-T66 WeakPolarHBondContact O-CB 3.49Å; G62-T66 PolarHBondContact O-N 2.94Å; G62-T66 PolarHBondContact O-OG1 2.94Å; I64-T66 VanDerWaalsContact C-N 3.26Å; I64-T66 PolarHBondContact O-N 2.88Å; T66-I69 PolarHBondContact O-N 3.44Å; T66-A70 VanDerWaalsContact O-CB 3.31Å; T66-A70 WeakPolarHBondContact O-CB 3.28Å; T66-A70 PolarHBondContact O-N 3.29Å; T66-I78 HydrophobicContact CG2-CD1 3.95Å; T66-I78 HydrophobicContact CG2-CG2 4.23Å; T66-I78 WeakPolarHBondContact O-CD1 3.29Å; T66-I80 HydrophobicContact CG2-CD1 4.34Å; T66-A98 HydrophobicContact CG2-CB 4.31Å
67S90.2Very high89.8Confident11 Ų1139 Ų398%0.07722%0.224CC..Hα-helixtrans-63.6-45.3179.6176.20000112I64 A65 I69 A70 D71 K157I64-S67 PolarHBondContact O-N 3.3Å; A65-S67 PolarHBondContact O-N 3.4Å; S67-I69 VanDerWaalsContact C-N 3.32Å; S67-I69 PolarHBondContact O-N 3.12Å; S67-A70 PolarHBondContact O-N 2.83Å; S67-D71 WeakPolarHBondContact O-CB 3.22Å; S67-D71 PolarHBondContact O-N 2.9Å; S67-K157 VanDerWaalsContact OG-CE 3.27Å; S67-K157 WeakPolarHBondContact OG-CE 3.48Å; S67-K157 PolarHBondContact OG-NZ 3.32Å
68K92.2Very high90.8Very high61 Ų6136.6 Ų36.627%0.26521%0.209SC..Hα-helixtrans-62-40.2179-69.3176.2-175.6169.90112.3Y39 E60 I64 A65 S72Y39-K68 HydrophobicContact CD2-CB 4.13Å; Y39-K68 HydrophobicContact CE2-CB 4.18Å; E60-K68 IonicContact OE1-NZ 3.49Å; E60-K68 PolarHBondContact OE1-NZ 2.86Å; E60-K68 IonicContact OE2-NZ 3.32Å; E60-K68 PolarHBondContact OE2-NZ 2.84Å; I64-K68 HydrophobicContact CG2-CD 4.28Å; I64-K68 WeakPolarHBondContact O-CG 3.35Å; I64-K68 PolarHBondContact O-N 3.21Å; I64-K68 VanDerWaalsContact O-N 3.11Å; A65-K68 PolarHBondContact O-N 2.88Å; K68-S72 WeakPolarHBondContact O-CB 3.3Å; K68-S72 PolarHBondContact O-N 3.4Å; K68-S72 PolarHBondContact O-OG 3.08Å
69I96.6Very high92Very high0 Ų032 Ų320%018%0.179CC..Hα-helixtrans-71.9-45-178.9-68.9167.8000110.2A38 Y39 V42 L50 M52 A65 T66 S67 D71 S72 F73 I78A38-I69 HydrophobicContact CB-CD1 4.44Å; Y39-I69 HydrophobicContact CD2-CG1 3.77Å; Y39-I69 HydrophobicContact CG-CG1 4.49Å; V42-I69 HydrophobicContact CB-CG2 4.5Å; V42-I69 HydrophobicContact CG1-CG2 3.94Å; V42-I69 HydrophobicContact CG2-CD1 4.22Å; V42-I69 HydrophobicContact CG2-CG2 4.33Å; L50-I69 HydrophobicContact CD2-CD1 3.59Å; L50-I69 HydrophobicContact CD2-CG2 4.15Å; M52-I69 HydrophobicContact CE-CD1 3.84Å; A65-I69 HydrophobicContact CB-CD1 4.23Å; A65-I69 VanDerWaalsContact O-CB 3.28Å; A65-I69 WeakPolarHBondContact O-CB 3.31Å; A65-I69 WeakPolarHBondContact O-CD1 3.37Å; A65-I69 WeakPolarHBondContact O-CG1 3.33Å; A65-I69 PolarHBondContact O-N 3.44Å; T66-I69 PolarHBondContact O-N 3.44Å; S67-I69 VanDerWaalsContact C-N 3.32Å; S67-I69 PolarHBondContact O-N 3.12Å; I69-D71 VanDerWaalsContact C-N 3.27Å; I69-D71 PolarHBondContact O-N 3.39Å; I69-S72 PolarHBondContact O-N 2.82Å; I69-F73 HydrophobicContact CG2-CB 4.42Å; I69-F73 HydrophobicContact CG2-CD2 4.26Å; I69-F73 CarbonylContact O-C 3.56Å; I69-F73 WeakPolarHBondContact O-CA 3.38Å; I69-F73 WeakPolarHBondContact O-CB 3.35Å; I69-F73 PolarHBondContact O-N 3.06Å; I69-I78 HydrophobicContact CB-CD1 4.07Å; I69-I78 HydrophobicContact CG2-CD1 3.85Å; I69-I78 HydrophobicContact CG2-CG1 4.39Å
70A95Very high92.7Very high21 Ų2130.7 Ų30.717%0.17417%0.166CC..Hα-helixtrans-59.4-39.3176.100000112T66 S67 I78 N96T66-A70 VanDerWaalsContact O-CB 3.31Å; T66-A70 WeakPolarHBondContact O-CB 3.28Å; T66-A70 PolarHBondContact O-N 3.29Å; S67-A70 PolarHBondContact O-N 2.83Å; A70-I78 HydrophobicContact CB-CD1 4.23Å; A70-N96 WeakPolarHBondContact CB-O 3.45Å
71D94Very high93.1Very high115 Ų11529.6 Ų29.662%0.61516%0.161SC*.Hα-helixtrans-68.3-40.4176.6-67.5-23.4000112.3S67 I69 K157S67-D71 WeakPolarHBondContact O-CB 3.22Å; S67-D71 PolarHBondContact O-N 2.9Å; I69-D71 VanDerWaalsContact C-N 3.27Å; I69-D71 PolarHBondContact O-N 3.39Å; D71-K157 IonicContact OD2-NZ 3.82Å; D71-K157 PolarHBondContact OD2-NZ 2.92Å
72S96.7Very high93Very high57 Ų5729.2 Ų29.240%0.39916%0.158SC..Hα-helixtrans-89-29.5-173.4-540000113.9Y39 K68 I69Y39-S72 PolarHBondContact OH-OG 2.93Å; K68-S72 WeakPolarHBondContact O-CB 3.3Å; K68-S72 PolarHBondContact O-N 3.4Å; K68-S72 PolarHBondContact O-OG 3.08Å; I69-S72 PolarHBondContact O-N 2.82Å
73F97.4Very high92.6Very high39 Ų3934.6 Ų34.617%0.17119%0.185CC..  trans-137.564.7-170.5-52.6-74.1000110.9Y39 V42 M43 I69 E75 T76Y39-F73 HydrophobicContact CD2-CE2 4.35Å; Y39-F73 HydrophobicContact CE1-CE2 4.33Å; Y39-F73 AromaticContact CE2-CE2 3.84Å; Y39-F73 HydrophobicContact CE2-CE2 3.84Å; Y39-F73 AromaticContact CZ-CE2 3.83Å; V42-F73 HydrophobicContact CB-CD2 4.47Å; V42-F73 HydrophobicContact CG1-CB 3.95Å; V42-F73 HydrophobicContact CG1-CD1 4.38Å; V42-F73 HydrophobicContact CG1-CD2 3.54Å; V42-F73 HydrophobicContact CG1-CE2 4.11Å; V42-F73 HydrophobicContact CG1-CG 3.7Å; M43-F73 HydrophobicContact CB-CE1 4.34Å; M43-F73 HydrophobicContact CB-CE2 4.26Å; M43-F73 HydrophobicContact CB-CZ 3.61Å; M43-F73 HydrophobicContact CG-CE1 4.44Å; M43-F73 HydrophobicContact CG-CZ 3.89Å; I69-F73 HydrophobicContact CG2-CB 4.42Å; I69-F73 HydrophobicContact CG2-CD2 4.26Å; I69-F73 CarbonylContact O-C 3.56Å; I69-F73 WeakPolarHBondContact O-CA 3.38Å; I69-F73 WeakPolarHBondContact O-CB 3.35Å; I69-F73 PolarHBondContact O-N 3.06Å; F73-E75 PolarHBondContact O-N 3.46Å; F73-T76 PolarHBondContact O-N 3.02Å
74P95.3Very high91.5Very high88 Ų8839.8 Ų39.857%0.57121%0.207SC*.THydrogen-bonded Turntrans-62.1-16.7-174.625.2-36.1000114.6K77P74-K77 PolarHBondContact O-NZ 2.86Å; P74-K77 VanDerWaalsContact O-NZ 3.14Å
75E96.4Very high90.1Very high148 Ų14844.1 Ų44.169%0.69223%0.23SC*.THydrogen-bonded Turntrans-75.4-28.6174.6-62.5-53.6154.500113.1F73 K77F73-E75 PolarHBondContact O-N 3.46Å; E75-K77 VanDerWaalsContact O-CE 3.22Å; E75-K77 WeakPolarHBondContact O-CE 3.29Å; E75-K77 PolarHBondContact O-N 2.94Å; E75-K77 PolarHBondContact O-NZ 2.98Å; E75-K77 IonicContact OE2-NZ 2.74Å
76T98.3Very high88.7Confident10 Ų1044.4 Ų44.46%0.06123%0.232CC..SBendtrans-73.2117.8177.1-64.80000110.2V42 P47 L50 F73V42-T76 HydrophobicContact CG1-CG2 4.3Å; V42-T76 HydrophobicContact CG2-CG2 4.48Å; P47-T76 HydrophobicContact CG-CG2 4.04Å; P47-T76 PolarHBondContact O-OG1 3.02Å; L50-T76 HydrophobicContact CB-CG2 3.71Å; F73-T76 PolarHBondContact O-N 3.02Å
77K98Very high87.3Confident41 Ų4146.7 Ų46.718%0.17824%0.242CC..EExtended strand (participates in β ladder)trans-86.2117.1179.7-49.3-53.7171.9-154.80109.5D48 V49 L50 P74 E75 K99 V118D48-K77 PolarHBondContact O-N 3.33Å; V49-K77 CarbonylContact C-O 3.52Å; V49-K77 VanDerWaalsContact CA-O 3.28Å; V49-K77 WeakPolarHBondContact CA-O 3.38Å; L50-K77 PolarHBondContact N-O 3.33Å; P74-K77 PolarHBondContact O-NZ 2.86Å; P74-K77 VanDerWaalsContact O-NZ 3.14Å; E75-K77 VanDerWaalsContact O-CE 3.22Å; E75-K77 WeakPolarHBondContact O-CE 3.29Å; E75-K77 PolarHBondContact O-N 2.94Å; E75-K77 PolarHBondContact O-NZ 2.98Å; E75-K77 IonicContact OE2-NZ 2.74Å; K77-K99 HydrophobicContact CB-CG 4.24Å; K77-K99 HydrophobicContact CD-CG 4.22Å; K77-V118 HydrophobicContact CB-CB 4.43Å; K77-V118 WeakPolarHBondContact CG-O 3.44Å
78I97.6Very high86Confident2 Ų249.4 Ų49.41%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-93.3121.1-175.3-52174.7000109.3L50 M52 T66 I69 A70 I80 K99L50-I78 HydrophobicContact CB-CG1 4.45Å; L50-I78 HydrophobicContact CD2-CG1 4.2Å; L50-I78 HydrophobicContact CD2-CG2 4.4Å; L50-I78 WeakPolarHBondContact O-CA 3.28Å; M52-I78 HydrophobicContact CB-CG2 3.87Å; T66-I78 HydrophobicContact CG2-CD1 3.95Å; T66-I78 HydrophobicContact CG2-CG2 4.23Å; T66-I78 WeakPolarHBondContact O-CD1 3.29Å; I69-I78 HydrophobicContact CB-CD1 4.07Å; I69-I78 HydrophobicContact CG2-CD1 3.85Å; I69-I78 HydrophobicContact CG2-CG1 4.39Å; A70-I78 HydrophobicContact CB-CD1 4.23Å; I78-I80 HydrophobicContact CG2-CD1 3.82Å; I78-K99 PolarHBondContact O-N 3.37Å
79L95.8Very high84.8Confident0 Ų046.7 Ų46.70%024%0.242CC..EExtended strand (participates in β ladder)trans-109.5117.6171.517863.8000108.4L50 L51 M52 I102 A114 I115 V118L50-L79 PolarHBondContact O-N 3.09Å; L51-L79 WeakPolarHBondContact CA-O 3.47Å; L51-L79 HydrophobicContact CD2-CB 3.84Å; L51-L79 HydrophobicContact CD2-CD2 3.72Å; L51-L79 HydrophobicContact CD2-CG 4.09Å; M52-L79 PolarHBondContact N-O 3.19Å; L79-I102 HydrophobicContact CD1-CG2 4.48Å; L79-I102 HydrophobicContact CD2-CG2 4.1Å; L79-I102 HydrophobicContact CG-CG2 4.21Å; L79-A114 HydrophobicContact CD1-CB 4.43Å; L79-A114 HydrophobicContact CD2-CB 3.81Å; L79-I115 HydrophobicContact CD2-CG1 3.84Å; L79-V118 HydrophobicContact CB-CG2 4.26Å; L79-V118 HydrophobicContact CD1-CG1 4.11Å
80I93.2Very high83.6Confident0 Ų046.7 Ų46.70%024%0.242CC..EExtended strand (participates in β ladder)trans-76.7134.5-178-58.5-53.4000110.8M52 L54 T66 I78 V93 A98 G100 Y101 I102M52-I80 HydrophobicContact CB-CD1 4Å; M52-I80 HydrophobicContact CG-CD1 4.12Å; M52-I80 CarbonylContact O-C 3.59Å; M52-I80 VanDerWaalsContact O-CA 3.28Å; M52-I80 WeakPolarHBondContact O-CA 3.45Å; L54-I80 HydrophobicContact CD1-CG2 3.83Å; L54-I80 HydrophobicContact CD2-CD1 3.81Å; L54-I80 HydrophobicContact CD2-CG1 4.31Å; L54-I80 HydrophobicContact CD2-CG2 3.68Å; L54-I80 HydrophobicContact CG-CG2 3.5Å; T66-I80 HydrophobicContact CG2-CD1 4.34Å; I78-I80 HydrophobicContact CG2-CD1 3.82Å; I80-V93 HydrophobicContact CD1-CB 4.46Å; I80-V93 HydrophobicContact CG1-CB 4.06Å; I80-V93 HydrophobicContact CG1-CG2 3.93Å; I80-A98 HydrophobicContact CD1-CB 4.16Å; I80-A98 HydrophobicContact CG1-CB 3.78Å; I80-G100 PolarHBondContact N-O 2.75Å; I80-Y101 CarbonylContact O-C 3.53Å; I80-Y101 WeakPolarHBondContact O-CA 3.5Å; I80-I102 PolarHBondContact O-N 3.49Å
81L91.6Very high82.5Confident0 Ų047.8 Ų47.80%024%0.243CC..EExtended strand (participates in β ladder)trans-94129.2167.3-58.5-175000108.3V12 F16 L51 M52 I102 K104V12-L81 HydrophobicContact CG1-CD1 4.43Å; F16-L81 HydrophobicContact CD2-CD1 4.13Å; F16-L81 HydrophobicContact CE2-CD1 3.82Å; F16-L81 HydrophobicContact CE2-CD2 3.74Å; F16-L81 HydrophobicContact CE2-CG 4.43Å; L51-L81 HydrophobicContact CB-CD1 4.07Å; L51-L81 HydrophobicContact CB-CD2 4.31Å; L51-L81 HydrophobicContact CB-CG 4.16Å; M52-L81 PolarHBondContact O-N 3Å; L81-I102 HydrophobicContact CD2-CG2 3.74Å; L81-K104 HydrophobicContact CB-CD 4.47Å; L81-K104 HydrophobicContact CB-CG 3.92Å
82T83.1Confident81.6Confident1 Ų143.1 Ų43.11%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-133.2145.7-177.61700000111.7D86 L90 Y101 I102 L103 K104 L129T82-D86 WeakPolarHBondContact CA-OD2 3.18Å; T82-D86 WeakPolarHBondContact CB-OD2 3.16Å; T82-D86 VanDerWaalsContact OG1-CB 3.31Å; T82-D86 WeakPolarHBondContact OG1-CB 3.35Å; T82-D86 PolarHBondContact OG1-OD2 2.92Å; T82-L90 HydrophobicContact CG2-CD2 4.43Å; T82-Y101 HydrophobicContact CG2-CD2 4.25Å; T82-I102 WeakPolarHBondContact CG2-O 3.37Å; T82-I102 PolarHBondContact N-O 3.01Å; T82-L103 HydrophobicContact CG2-CD2 4.18Å; T82-L103 CarbonylContact O-C 3.53Å; T82-L103 VanDerWaalsContact O-CA 3.29Å; T82-L103 WeakPolarHBondContact O-CA 3.45Å; T82-K104 PolarHBondContact O-N 3.2Å; T82-L129 HydrophobicContact CG2-CD1 4.38Å
83M78.3Confident80.7Confident114 Ų11440.4 Ų40.456%0.56220%0.198SC*.  trans-92.9138.6159.7-61.3-70.8-91.800105.2D85 D86 K104M83-D85 PolarHBondContact O-N 3.02Å; M83-D86 PolarHBondContact N-OD2 2.8Å; M83-D86 PolarHBondContact O-N 2.82Å; M83-D86 VanDerWaalsContact O-N 3.12Å; M83-D86 VanDerWaalsContact O-OD2 3.09Å; M83-K104 HydrophobicContact CG-CD 4.18Å; M83-K104 HydrophobicContact SD-CB 3.88Å; M83-K104 HydrophobicContact SD-CD 3.91Å; M83-K104 HydrophobicContact SD-CG 4.27Å
84F62.2Low80Confident119 Ų11940.7 Ų40.752%0.52220%0.202SC..G310 helixtrans-38.6-21.9-169.2-174.7-95.8000118.2D86 L103 L129F84-D86 PolarHBondContact O-N 3.21Å; F84-L103 HydrophobicContact CB-CD2 4.13Å; F84-L103 HydrophobicContact CD2-CD2 4.49Å; F84-L129 HydrophobicContact CD2-CD2 4.49Å
85D57.1Low79.3Confident100 Ų10044.7 Ų44.754%0.53521%0.205SC..G310 helixtrans-76.2-11.1-177.9-58.6-35.9000115.2M83 E87M83-D85 PolarHBondContact O-N 3.02Å; D85-E87 VanDerWaalsContact C-N 3.32Å; D85-E87 PolarHBondContact O-N 2.81Å
86D60.9Low78.6Confident5 Ų540.2 Ų40.23%0.02719%0.186CC..G310 helixtrans-8412.3-175.5-52.6-62.4000115.7L54 T82 M83 F84 E88 Y89L54-D86 HydrophobicContact CD1-CB 4.47Å; T82-D86 WeakPolarHBondContact CA-OD2 3.18Å; T82-D86 WeakPolarHBondContact CB-OD2 3.16Å; T82-D86 VanDerWaalsContact OG1-CB 3.31Å; T82-D86 WeakPolarHBondContact OG1-CB 3.35Å; T82-D86 PolarHBondContact OG1-OD2 2.92Å; M83-D86 PolarHBondContact N-OD2 2.8Å; M83-D86 PolarHBondContact O-N 2.82Å; M83-D86 VanDerWaalsContact O-N 3.12Å; M83-D86 VanDerWaalsContact O-OD2 3.09Å; F84-D86 PolarHBondContact O-N 3.21Å; D86-E88 VanDerWaalsContact C-N 3.27Å; D86-E88 PolarHBondContact O-N 2.95Å; D86-E88 VanDerWaalsContact O-N 3.13Å; D86-Y89 HydrophobicContact CB-CD2 4.43Å; D86-Y89 PolarHBondContact O-N 3.2Å
87E63.1Low78.1Confident48 Ų4841.3 Ų41.322%0.22420%0.199CC..Hα-helixtrans-53.1-39.5-171-74.3-177173.600114.3D85 Y89 L90 L129 S132D85-E87 VanDerWaalsContact C-N 3.32Å; D85-E87 PolarHBondContact O-N 2.81Å; E87-Y89 PolarHBondContact O-N 3.37Å; E87-Y89 VanDerWaalsContact O-N 3.15Å; E87-L90 HydrophobicContact CG-CD1 4.46Å; E87-L90 WeakPolarHBondContact O-CB 3.38Å; E87-L90 PolarHBondContact O-N 2.81Å; E87-L129 HydrophobicContact CG-CD2 3.68Å; E87-L129 WeakPolarHBondContact OE1-CD2 3.35Å; E87-S132 VanDerWaalsContact CD-CB 3.5Å; E87-S132 PolarHBondContact OE1-OG 3.43Å; E87-S132 WeakPolarHBondContact OE2-CB 3.11Å; E87-S132 PolarHBondContact OE2-OG 2.66Å
88E62.4Low77.8Confident69 Ų6939.7 Ų39.732%0.32219%0.194SC..Hα-helixtrans-66.4-12.6-179.5-71.5177.6-156.400113.6D86 H92 K213D86-E88 VanDerWaalsContact C-N 3.27Å; D86-E88 PolarHBondContact O-N 2.95Å; D86-E88 VanDerWaalsContact O-N 3.13Å; E88-H92 PolarHBondContact O-CD2 2.83Å; E88-K213 HydrophobicContact CG-CD 4.39Å; E88-K213 WeakPolarHBondContact OE1-CD 3.49Å; E88-K213 WeakPolarHBondContact OE1-CE 3.31Å; E88-K213 IonicContact OE1-NZ 2.68Å; E88-K213 PolarHBondContact OE1-NZ 3.35Å
89Y68.2Low77.5Confident3 Ų343.2 Ų43.21%0.01221%0.209CC..Hα-helixtrans-104.1-14.4179.6-56.6-61.5000113.1D86 E87 F91 H92 V93 F152 K212 K213 L214 F217D86-Y89 HydrophobicContact CB-CD2 4.43Å; D86-Y89 PolarHBondContact O-N 3.2Å; E87-Y89 PolarHBondContact O-N 3.37Å; E87-Y89 VanDerWaalsContact O-N 3.15Å; Y89-F91 VanDerWaalsContact C-N 3.28Å; Y89-F91 PolarHBondContact O-N 3.47Å; Y89-H92 WeakPolarHBondContact O-CB 3.25Å; Y89-H92 PolarHBondContact O-N 3.35Å; Y89-V93 PolarHBondContact O-N 3.2Å; Y89-F152 AromaticContact CD1-CE2 3.52Å; Y89-F152 HydrophobicContact CD1-CE2 3.52Å; Y89-F152 AromaticContact CD1-CZ 3.38Å; Y89-F152 HydrophobicContact CD1-CZ 3.38Å; Y89-F152 AromaticContact CE1-CE2 3.55Å; Y89-F152 HydrophobicContact CE1-CE2 3.55Å; Y89-F152 AromaticContact CE1-CZ 3.48Å; Y89-F152 HydrophobicContact CE1-CZ 3.48Å; Y89-F152 VanDerWaalsContact CE1-CZ 3.48Å; Y89-K212 PolarHBondContact OH-O 3.22Å; Y89-K213 HydrophobicContact CE2-CB 4.36Å; Y89-K213 WeakPolarHBondContact OH-CA 3.23Å; Y89-K213 WeakPolarHBondContact OH-CB 3.34Å; Y89-K213 PolarHBondContact OH-O 3.39Å; Y89-L214 HydrophobicContact CE1-CD2 3.94Å; Y89-L214 WeakPolarHBondContact OH-CA 3.31Å; Y89-L214 PolarHBondContact OH-N 2.96Å; Y89-F217 HydrophobicContact CD1-CE2 4.17Å; Y89-F217 HydrophobicContact CD1-CZ 4.23Å; Y89-F217 AromaticContact CD2-CE2 3.95Å; Y89-F217 HydrophobicContact CD2-CE2 3.95Å; Y89-F217 AromaticContact CD2-CZ 3.52Å; Y89-F217 HydrophobicContact CD2-CZ 3.52Å; Y89-F217 AromaticContact CE1-CE2 3.88Å; Y89-F217 HydrophobicContact CE1-CE2 3.88Å; Y89-F217 HydrophobicContact CE1-CZ 4.34Å; Y89-F217 AromaticContact CE2-CE2 3.59Å; Y89-F217 HydrophobicContact CE2-CE2 3.59Å; Y89-F217 AromaticContact CE2-CZ 3.61Å; Y89-F217 HydrophobicContact CE2-CZ 3.61Å; Y89-F217 HydrophobicContact CG-CE2 4.21Å; Y89-F217 AromaticContact CG-CZ 3.83Å; Y89-F217 HydrophobicContact CG-CZ 3.83Å; Y89-F217 AromaticContact CZ-CE2 3.57Å
90L70.4Confident77.3Confident1 Ų143.2 Ų43.21%0.00521%0.209CC..Hα-helixtrans-59.2-40.6-176.1-66.3179.4000111.7T82 E87 H92 V93 L94 Y101 L129 L133T82-L90 HydrophobicContact CG2-CD2 4.43Å; E87-L90 HydrophobicContact CG-CD1 4.46Å; E87-L90 WeakPolarHBondContact O-CB 3.38Å; E87-L90 PolarHBondContact O-N 2.81Å; L90-H92 VanDerWaalsContact C-N 3.34Å; L90-H92 PolarHBondContact O-N 3.22Å; L90-V93 WeakPolarHBondContact O-CG2 3.39Å; L90-L94 WeakPolarHBondContact O-CG 3.47Å; L90-L94 PolarHBondContact O-N 3.45Å; L90-L94 VanDerWaalsContact O-N 3.15Å; L90-Y101 HydrophobicContact CB-CD1 4.49Å; L90-Y101 HydrophobicContact CB-CE1 4.37Å; L90-Y101 HydrophobicContact CD1-CD1 4.39Å; L90-Y101 HydrophobicContact CD1-CD2 4.15Å; L90-Y101 HydrophobicContact CD1-CE1 4.08Å; L90-Y101 HydrophobicContact CD1-CE2 3.88Å; L90-Y101 HydrophobicContact CD1-CG 4.39Å; L90-Y101 HydrophobicContact CD2-CD1 3.86Å; L90-Y101 HydrophobicContact CD2-CD2 4.02Å; L90-Y101 HydrophobicContact CD2-CE1 4.35Å; L90-Y101 HydrophobicContact CD2-CG 3.64Å; L90-Y101 HydrophobicContact CG-CD1 4.48Å; L90-L129 HydrophobicContact CD1-CB 4.28Å; L90-L129 HydrophobicContact CD1-CD1 4.39Å; L90-L129 HydrophobicContact CD1-CD2 4.42Å; L90-L133 HydrophobicContact CB-CD2 3.68Å; L90-L133 HydrophobicContact CB-CG 4.46Å
91F72.5Confident77.1Confident43 Ų4343.2 Ų43.219%0.18921%0.209CC..Hα-helixtrans-62.6-41.8175.1-179.4-103.2000112.1Y89 R95 L133 E136 F137Y89-F91 VanDerWaalsContact C-N 3.28Å; Y89-F91 PolarHBondContact O-N 3.47Å; F91-R95 WeakPolarHBondContact O-CB 3.44Å; F91-R95 PolarHBondContact O-N 2.88Å; F91-L133 HydrophobicContact CB-CD2 4.27Å; F91-E136 VanDerWaalsContact CB-CD 3.46Å; F91-E136 WeakPolarHBondContact CB-OE1 2.69Å; F91-E136 WeakPolarHBondContact CB-OE2 3.34Å; F91-F137 HydrophobicContact CE2-CD2 4.1Å
92H74.2Confident77Confident17 Ų1743.2 Ų43.28%0.07921%0.209CC..Hα-helixtrans-68.5-40.2-179-67.8-71.5000112.7E88 Y89 L90 R95 N96 E136 D150 F152E88-H92 PolarHBondContact O-CD2 2.83Å; Y89-H92 WeakPolarHBondContact O-CB 3.25Å; Y89-H92 PolarHBondContact O-N 3.35Å; L90-H92 VanDerWaalsContact C-N 3.34Å; L90-H92 PolarHBondContact O-N 3.22Å; H92-R95 PolarHBondContact O-N 2.74Å; H92-N96 WeakPolarHBondContact O-CB 3.16Å; H92-N96 PolarHBondContact O-N 3.41Å; H92-N96 PolarHBondContact O-ND2 2.64Å; H92-E136 IonicContact CD2-OE1 2.92Å; H92-E136 IonicContact NE2-OE1 2.68Å; H92-D150 IonicContact CE1-OD1 2.75Å; H92-D150 PolarHBondContact CE1-OD1 3.39Å; H92-D150 IonicContact CE1-OD2 3.8Å; H92-D150 PolarHBondContact CE1-OD2 3.14Å; H92-D150 VanDerWaalsContact CE1-OD2 3.32Å; H92-D150 IonicContact NE2-OD1 3.47Å; H92-F152 HydrophobicContact CB-CD2 4.38Å; H92-F152 HydrophobicContact CB-CG 4.37Å; H92-F152 AromaticContact CD2-CD2 3.35Å; H92-F152 WeakPolarHBondContact CD2-CD2 3.45Å; H92-F152 AromaticContact CD2-CE2 3.62Å; H92-F152 AromaticContact CE1-CD2 3.4Å; H92-F152 VanDerWaalsContact CE1-CD2 3.4Å; H92-F152 WeakPolarHBondContact CE1-CD2 3.28Å; H92-F152 AromaticContact CE1-CG 3.74Å; H92-F152 AromaticContact CG-CD2 3.51Å; H92-F152 AromaticContact CG-CE2 3.98Å; H92-F152 AromaticContact CG-CG 3.74Å; H92-F152 WeakPolarHBondContact ND1-CB 3.38Å; H92-F152 AromaticContact ND1-CD2 3.55Å; H92-F152 AromaticContact ND1-CG 3.53Å; H92-F152 AromaticContact NE2-CD2 3.27Å; H92-F152 VanDerWaalsContact NE2-CD2 3.27Å; H92-F152 WeakPolarHBondContact NE2-CD2 3.44Å; H92-F152 AromaticContact NE2-CE2 3.9Å
93V79.2Confident77.2Confident0 Ų043.6 Ų43.60%021%0.211CC..Hα-helixtrans-68.5-39.5177.7-63.90000112.1L54 L63 I80 Y89 L90 R95 N96 G97 A98L54-V93 HydrophobicContact CD1-CG1 3.81Å; L54-V93 HydrophobicContact CD2-CG1 3.6Å; L54-V93 HydrophobicContact CG-CG1 4.38Å; L63-V93 HydrophobicContact CD1-CG1 3.37Å; I80-V93 HydrophobicContact CD1-CB 4.46Å; I80-V93 HydrophobicContact CG1-CB 4.06Å; I80-V93 HydrophobicContact CG1-CG2 3.93Å; Y89-V93 PolarHBondContact O-N 3.2Å; L90-V93 WeakPolarHBondContact O-CG2 3.39Å; V93-R95 VanDerWaalsContact C-N 3.33Å; V93-R95 PolarHBondContact O-N 2.82Å; V93-N96 CarbonylContact O-C 3.57Å; V93-N96 PolarHBondContact O-N 3.04Å; V93-N96 VanDerWaalsContact O-N 3.12Å; V93-G97 PolarHBondContact O-N 2.86Å; V93-A98 HydrophobicContact CB-CB 4.29Å; V93-A98 VanDerWaalsContact O-CB 3.28Å; V93-A98 WeakPolarHBondContact O-CB 3.29Å; V93-A98 PolarHBondContact O-N 3.13Å
94L83.1Confident77.7Confident46 Ų4639.5 Ų39.524%0.24119%0.19CC..Hα-helixtrans-61.4-43.6173.4-73.1174.5000110.8L90 N96 G97 A98 Y101 T123 L133L90-L94 WeakPolarHBondContact O-CG 3.47Å; L90-L94 PolarHBondContact O-N 3.45Å; L90-L94 VanDerWaalsContact O-N 3.15Å; L94-N96 PolarHBondContact O-N 3.3Å; L94-G97 PolarHBondContact O-N 3.12Å; L94-A98 HydrophobicContact CD2-CB 4.45Å; L94-Y101 HydrophobicContact CD1-CE1 4.45Å; L94-T123 HydrophobicContact CD2-CG2 4.4Å; L94-L133 HydrophobicContact CD1-CD1 3.99Å; L94-L133 HydrophobicContact CD1-CD2 4.2Å
95R79.9Confident78.8Confident172 Ų17239.9 Ų39.965%0.64920%0.197SC*.Hα-helixtrans-63.3-30.9174.8-172.6176.6177.8147.62.6112.8F91 H92 V93 G97F91-R95 WeakPolarHBondContact O-CB 3.44Å; F91-R95 PolarHBondContact O-N 2.88Å; H92-R95 PolarHBondContact O-N 2.74Å; V93-R95 VanDerWaalsContact C-N 3.33Å; V93-R95 PolarHBondContact O-N 2.82Å; R95-G97 VanDerWaalsContact C-N 3.26Å; R95-G97 PolarHBondContact O-N 2.94Å
96N82Confident80.4Confident54 Ų5435.9 Ų35.929%0.28918%0.178SC..THydrogen-bonded Turntrans-858.6178.3-72-19.4000113.9A70 H92 V93 L94A70-N96 WeakPolarHBondContact CB-O 3.45Å; H92-N96 WeakPolarHBondContact O-CB 3.16Å; H92-N96 PolarHBondContact O-N 3.41Å; H92-N96 PolarHBondContact O-ND2 2.64Å; V93-N96 CarbonylContact O-C 3.57Å; V93-N96 PolarHBondContact O-N 3.04Å; V93-N96 VanDerWaalsContact O-N 3.12Å; L94-N96 PolarHBondContact O-N 3.3Å
97G86.8Confident81.8Confident32 Ų3239.2 Ų39.233%0.3320%0.2SC..THydrogen-bonded Turntrans107.22.9170.400000115.6V93 L94 R95V93-G97 PolarHBondContact O-N 2.86Å; L94-G97 PolarHBondContact O-N 3.12Å; R95-G97 VanDerWaalsContact C-N 3.26Å; R95-G97 PolarHBondContact O-N 2.94Å
98A91.9Very high83.3Confident8 Ų841.3 Ų41.37%0.06621%0.213CC..  trans-62.8143.7170.600000111.4T66 I80 V93 L94T66-A98 HydrophobicContact CG2-CB 4.31Å; I80-A98 HydrophobicContact CD1-CB 4.16Å; I80-A98 HydrophobicContact CG1-CB 3.78Å; V93-A98 HydrophobicContact CB-CB 4.29Å; V93-A98 VanDerWaalsContact O-CB 3.28Å; V93-A98 WeakPolarHBondContact O-CB 3.29Å; V93-A98 PolarHBondContact O-N 3.13Å; L94-A98 HydrophobicContact CD2-CB 4.45Å
99K92.7Very high84.8Confident75 Ų7545.8 Ų45.833%0.32623%0.234SC..  trans-97.13.4176.3-68-63.6-176.5179.50112.9K77 I78 V118 T123 Y124K77-K99 HydrophobicContact CB-CG 4.24Å; K77-K99 HydrophobicContact CD-CG 4.22Å; I78-K99 PolarHBondContact O-N 3.37Å; K99-V118 HydrophobicContact CB-CB 4.1Å; K99-V118 HydrophobicContact CB-CG1 3.96Å; K99-V118 WeakPolarHBondContact O-CG1 3.41Å; K99-T123 CarbonylContact O-C 3.59Å; K99-T123 WeakPolarHBondContact O-CA 3.45Å; K99-T123 WeakPolarHBondContact O-CG2 3.46Å; K99-Y124 PolarHBondContact O-N 3.01Å
100G90.7Very high86Confident0 Ų048.9 Ų48.90%025%0.248CC..EExtended strand (participates in β ladder)trans161.1-175.4175.700000111.5I80 Y124I80-G100 PolarHBondContact N-O 2.75Å; G100-Y124 CarbonylContact C-O 3.43Å; G100-Y124 WeakPolarHBondContact CA-O 3.39Å
101Y87.9Confident87.2Confident0 Ų049.1 Ų49.10%025%0.249CC..EExtended strand (participates in β ladder)trans-149.8160.1172.461.1-92.9000110.6I80 T82 L90 L94 Y124 V125 D126 L129 L133I80-Y101 CarbonylContact O-C 3.53Å; I80-Y101 WeakPolarHBondContact O-CA 3.5Å; T82-Y101 HydrophobicContact CG2-CD2 4.25Å; L90-Y101 HydrophobicContact CB-CD1 4.49Å; L90-Y101 HydrophobicContact CB-CE1 4.37Å; L90-Y101 HydrophobicContact CD1-CD1 4.39Å; L90-Y101 HydrophobicContact CD1-CD2 4.15Å; L90-Y101 HydrophobicContact CD1-CE1 4.08Å; L90-Y101 HydrophobicContact CD1-CE2 3.88Å; L90-Y101 HydrophobicContact CD1-CG 4.39Å; L90-Y101 HydrophobicContact CD2-CD1 3.86Å; L90-Y101 HydrophobicContact CD2-CD2 4.02Å; L90-Y101 HydrophobicContact CD2-CE1 4.35Å; L90-Y101 HydrophobicContact CD2-CG 3.64Å; L90-Y101 HydrophobicContact CG-CD1 4.48Å; L94-Y101 HydrophobicContact CD1-CE1 4.45Å; Y101-Y124 PolarHBondContact N-O 3.23Å; Y101-Y124 WeakPolarHBondContact O-CD1 3.45Å; Y101-V125 HydrophobicContact CE1-CB 4.38Å; Y101-V125 HydrophobicContact CE1-CG1 3.82Å; Y101-V125 HydrophobicContact CE1-CG2 4.27Å; Y101-V125 HydrophobicContact CE2-CG1 4.48Å; Y101-V125 WeakPolarHBondContact OH-CG1 3.17Å; Y101-D126 HydrophobicContact CE2-CB 4.42Å; Y101-L129 HydrophobicContact CD2-CD1 3.66Å; Y101-L129 HydrophobicContact CE2-CB 3.4Å; Y101-L129 VanDerWaalsContact CE2-CB 3.4Å; Y101-L129 HydrophobicContact CE2-CD1 3.24Å; Y101-L129 HydrophobicContact CE2-CG 3.9Å; Y101-L129 WeakPolarHBondContact OH-CB 2.99Å; Y101-L129 PolarHBondContact OH-O 3.17Å; Y101-L133 HydrophobicContact CE1-CD1 3.71Å; Y101-L133 HydrophobicContact CE1-CG 4.4Å; Y101-L133 WeakPolarHBondContact OH-CD1 3.28Å
102I89.7Confident88.4Confident1 Ų147.8 Ų47.81%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-147.4145.7175.9-168.3174.2000110.3L79 I80 L81 T82 A106 Q110 L111 A114 Y124L79-I102 HydrophobicContact CD1-CG2 4.48Å; L79-I102 HydrophobicContact CD2-CG2 4.1Å; L79-I102 HydrophobicContact CG-CG2 4.21Å; I80-I102 PolarHBondContact O-N 3.49Å; L81-I102 HydrophobicContact CD2-CG2 3.74Å; T82-I102 WeakPolarHBondContact CG2-O 3.37Å; T82-I102 PolarHBondContact N-O 3.01Å; I102-A106 HydrophobicContact CD1-CB 3.67Å; I102-A106 HydrophobicContact CG1-CB 3.65Å; I102-Q110 HydrophobicContact CD1-CB 4.36Å; I102-L111 HydrophobicContact CD1-CB 3.99Å; I102-L111 HydrophobicContact CD1-CD1 4.17Å; I102-L111 HydrophobicContact CG2-CD1 4.09Å; I102-A114 HydrophobicContact CD1-CB 3.96Å; I102-Y124 HydrophobicContact CB-CE1 4.43Å; I102-Y124 HydrophobicContact CD1-CE1 4.48Å; I102-Y124 HydrophobicContact CG1-CE1 4.38Å
103L87.8Confident89.5Confident8 Ų851.5 Ų51.54%0.04226%0.264CS..EExtended strand (participates in β ladder)trans-66136.9172.6-68.3168.7000110.8T82 F84 N105 A106 L129T82-L103 HydrophobicContact CG2-CD2 4.18Å; T82-L103 CarbonylContact O-C 3.53Å; T82-L103 VanDerWaalsContact O-CA 3.29Å; T82-L103 WeakPolarHBondContact O-CA 3.45Å; F84-L103 HydrophobicContact CB-CD2 4.13Å; F84-L103 HydrophobicContact CD2-CD2 4.49Å; L103-N105 VanDerWaalsContact CB-OD1 3.29Å; L103-N105 WeakPolarHBondContact CB-OD1 3.33Å; L103-N105 PolarHBondContact O-N 3.03Å; L103-N105 VanDerWaalsContact O-N 3.13Å; L103-A106 HydrophobicContact CB-CB 4.43Å; L103-A106 WeakPolarHBondContact O-CB 3.43Å; L103-A106 PolarHBondContact O-N 2.69Å; L103-L129 HydrophobicContact CD1-CD1 4.4Å; L103-L129 HydrophobicContact CD2-CD1 3.95Å; L103-L129 HydrophobicContact CG-CD1 3.87Å
104K88.7Confident90.2Very high29 Ų2951.5 Ų51.513%0.12626%0.264CS..THydrogen-bonded Turntrans-60.3-22.7174.5-67.9-172.5-169.6-173.90112.9D7 V12 D53 L81 T82 M83D7-K104 IonicContact OD1-NZ 3.45Å; D7-K104 PolarHBondContact OD1-NZ 3.14Å; D7-K104 WeakPolarHBondContact OD2-CE 3.2Å; D7-K104 IonicContact OD2-NZ 2.82Å; D7-K104 PolarHBondContact OD2-NZ 3Å; V12-K104 HydrophobicContact CG2-CD 4.46Å; D53-K104 WeakPolarHBondContact OD1-CE 3.48Å; D53-K104 IonicContact OD1-NZ 3.82Å; D53-K104 PolarHBondContact OD1-NZ 2.75Å; D53-K104 IonicContact OD2-NZ 3.57Å; D53-K104 PolarHBondContact OD2-NZ 2.59Å; L81-K104 HydrophobicContact CB-CD 4.47Å; L81-K104 HydrophobicContact CB-CG 3.92Å; T82-K104 PolarHBondContact O-N 3.2Å; M83-K104 HydrophobicContact CG-CD 4.18Å; M83-K104 HydrophobicContact SD-CB 3.88Å; M83-K104 HydrophobicContact SD-CD 3.91Å; M83-K104 HydrophobicContact SD-CG 4.27Å
105N86.7Confident90.9Very high127 Ų12749.3 Ų49.368%0.67925%0.253SS*.THydrogen-bonded Turntrans-96.59.6176.772.6-0.4000114L103L103-N105 VanDerWaalsContact CB-OD1 3.29Å; L103-N105 WeakPolarHBondContact CB-OD1 3.33Å; L103-N105 PolarHBondContact O-N 3.03Å; L103-N105 VanDerWaalsContact O-N 3.13Å
106A88.8Confident91.8Very high16 Ų1644.6 Ų44.613%0.13224%0.235CC..SBendtrans-62.6146.9176.400000110.6I102 L103 Q110I102-A106 HydrophobicContact CD1-CB 3.67Å; I102-A106 HydrophobicContact CG1-CB 3.65Å; L103-A106 HydrophobicContact CB-CB 4.43Å; L103-A106 WeakPolarHBondContact O-CB 3.43Å; L103-A106 PolarHBondContact O-N 2.69Å; A106-Q110 HydrophobicContact CB-CB 4.34Å
107P91.6Very high92.5Very high75 Ų7543 Ų4349%0.48723%0.227SC..  trans-55.9145.5171.3-23.533.4000111.9E109 Q110 L111P107-E109 PolarHBondContact O-N 3.21Å; P107-E109 VanDerWaalsContact O-N 3.11Å; P107-Q110 WeakPolarHBondContact O-CA 3.34Å; P107-Q110 WeakPolarHBondContact O-CB 3.09Å; P107-Q110 PolarHBondContact O-N 3.42Å; P107-L111 PolarHBondContact O-N 3.16Å
108D94.3Very high93Very high91 Ų9141.5 Ų41.549%0.48721%0.211SC..Hα-helixtrans-50-42.3-178.4-60.9-1.9000112.7I19 Q110 L111 L112I19-D108 HydrophobicContact CG2-CB 4.26Å; D108-Q110 VanDerWaalsContact C-N 3.26Å; D108-Q110 PolarHBondContact O-N 3.17Å; D108-L111 WeakPolarHBondContact O-CB 3.39Å; D108-L111 PolarHBondContact O-N 3.07Å; D108-L111 VanDerWaalsContact O-N 3.16Å; D108-L112 VanDerWaalsContact O-CG 3.25Å; D108-L112 WeakPolarHBondContact O-CG 2.92Å; D108-L112 PolarHBondContact O-N 2.8Å
109E94.6Very high93.3Very high164 Ų16446.5 Ų46.577%0.76623%0.229SC*.Hα-helixtrans-59.3-36.3178.3-63.9-178.3175.200112.8P107 L113P107-E109 PolarHBondContact O-N 3.21Å; P107-E109 VanDerWaalsContact O-N 3.11Å; E109-L113 VanDerWaalsContact O-CB 3.31Å; E109-L113 WeakPolarHBondContact O-CB 3.04Å; E109-L113 PolarHBondContact O-N 3.12Å
110Q93.4Very high93.5Very high68 Ų6850.2 Ų50.232%0.31825%0.245SC..Hα-helixtrans-73.7-38.7176.9-67.4-172.9-6.100111.6I102 A106 P107 D108 L112 L113 A114I102-Q110 HydrophobicContact CD1-CB 4.36Å; A106-Q110 HydrophobicContact CB-CB 4.34Å; P107-Q110 WeakPolarHBondContact O-CA 3.34Å; P107-Q110 WeakPolarHBondContact O-CB 3.09Å; P107-Q110 PolarHBondContact O-N 3.42Å; D108-Q110 VanDerWaalsContact C-N 3.26Å; D108-Q110 PolarHBondContact O-N 3.17Å; Q110-L112 VanDerWaalsContact C-N 3.35Å; Q110-L113 PolarHBondContact O-N 3.48Å; Q110-A114 VanDerWaalsContact O-CB 3.31Å; Q110-A114 WeakPolarHBondContact O-CB 3.39Å; Q110-A114 PolarHBondContact O-N 3.33Å
111L95.2Very high93.6Very high5 Ų552 Ų523%0.02627%0.265CS..Hα-helixtrans-58.9-48.1172.6177.363.8000111.2F16 L20 L51 I102 P107 D108 L113 A114 I115F16-L111 HydrophobicContact CD1-CD2 4.35Å; F16-L111 HydrophobicContact CD2-CD1 4.49Å; F16-L111 HydrophobicContact CD2-CD2 3.93Å; F16-L111 HydrophobicContact CE1-CD2 4.35Å; F16-L111 HydrophobicContact CE2-CD1 4.09Å; F16-L111 HydrophobicContact CE2-CD2 3.92Å; F16-L111 HydrophobicContact CG-CD2 4.14Å; F16-L111 HydrophobicContact CZ-CD2 4.14Å; L20-L111 HydrophobicContact CD2-CD2 4.49Å; L51-L111 HydrophobicContact CD1-CD1 4.43Å; I102-L111 HydrophobicContact CD1-CB 3.99Å; I102-L111 HydrophobicContact CD1-CD1 4.17Å; I102-L111 HydrophobicContact CG2-CD1 4.09Å; P107-L111 PolarHBondContact O-N 3.16Å; D108-L111 WeakPolarHBondContact O-CB 3.39Å; D108-L111 PolarHBondContact O-N 3.07Å; D108-L111 VanDerWaalsContact O-N 3.16Å; L111-L113 PolarHBondContact O-N 3.04Å; L111-A114 PolarHBondContact O-N 3.27Å; L111-I115 HydrophobicContact CD1-CD1 3.93Å; L111-I115 HydrophobicContact CD1-CG1 4.4Å; L111-I115 HydrophobicContact CG-CD1 3.99Å; L111-I115 VanDerWaalsContact O-CG1 3.28Å; L111-I115 WeakPolarHBondContact O-CG1 3.47Å; L111-I115 PolarHBondContact O-N 2.96Å
112L97.6Very high93.9Very high16 Ų1657.2 Ų57.28%0.08429%0.289CS..Hα-helixtrans-64.1-40.2178.5-66.6176.7000112.3I19 L20 Q23 M26 D108 Q110 R116I19-L112 HydrophobicContact CG2-CD2 4.35Å; L20-L112 HydrophobicContact CD2-CD2 3.8Å; Q23-L112 HydrophobicContact CG-CD1 4.33Å; Q23-L112 HydrophobicContact CG-CD2 3.55Å; M26-L112 HydrophobicContact CE-CD2 4.11Å; M26-L112 HydrophobicContact SD-CD2 3.93Å; D108-L112 VanDerWaalsContact O-CG 3.25Å; D108-L112 WeakPolarHBondContact O-CG 2.92Å; D108-L112 PolarHBondContact O-N 2.8Å; Q110-L112 VanDerWaalsContact C-N 3.35Å; L112-R116 WeakPolarHBondContact O-CG 3.31Å; L112-R116 PolarHBondContact O-N 2.65Å; L112-R116 VanDerWaalsContact O-N 3.1Å
113L96.2Very high94Very high94 Ų9461.3 Ų61.349%0.49231%0.314SS..Hα-helixtrans-61.8-50.217417862.1000111E109 Q110 L111 I115 R116 T117 Y124E109-L113 VanDerWaalsContact O-CB 3.31Å; E109-L113 WeakPolarHBondContact O-CB 3.04Å; E109-L113 PolarHBondContact O-N 3.12Å; Q110-L113 PolarHBondContact O-N 3.48Å; L111-L113 PolarHBondContact O-N 3.04Å; L113-I115 VanDerWaalsContact C-N 3.32Å; L113-I115 PolarHBondContact O-N 2.96Å; L113-R116 PolarHBondContact O-N 3.42Å; L113-T117 WeakPolarHBondContact O-CB 3.37Å; L113-T117 PolarHBondContact O-N 2.7Å; L113-T117 PolarHBondContact O-OG1 3.39Å; L113-T117 VanDerWaalsContact O-OG1 3.09Å; L113-Y124 HydrophobicContact CD2-CE2 4.31Å; L113-Y124 HydrophobicContact CG-CE2 4.27Å
114A95.6Very high94.2Very high0 Ų062.3 Ų62.30%032%0.317CS..Hα-helixtrans-56.3-46.6-179.700000111.9L79 I102 Q110 L111 T117 V118 Y124L79-A114 HydrophobicContact CD1-CB 4.43Å; L79-A114 HydrophobicContact CD2-CB 3.81Å; I102-A114 HydrophobicContact CD1-CB 3.96Å; Q110-A114 VanDerWaalsContact O-CB 3.31Å; Q110-A114 WeakPolarHBondContact O-CB 3.39Å; Q110-A114 PolarHBondContact O-N 3.33Å; L111-A114 PolarHBondContact O-N 3.27Å; A114-T117 PolarHBondContact O-N 3.45Å; A114-V118 WeakPolarHBondContact O-CG2 3.44Å; A114-V118 PolarHBondContact O-N 3.18Å; A114-Y124 HydrophobicContact CB-CD1 3.4Å; A114-Y124 VanDerWaalsContact CB-CD1 3.4Å; A114-Y124 HydrophobicContact CB-CD2 3.85Å; A114-Y124 HydrophobicContact CB-CE1 3.54Å; A114-Y124 HydrophobicContact CB-CE2 3.95Å; A114-Y124 HydrophobicContact CB-CG 3.56Å
115I98Very high93.9Very high0 Ų063.2 Ų63.20%033%0.325CS..Hα-helixtrans-61.1-47.5177.8-69.6169.1000111.2M1 I3 L20 M26 V49 L51 L79 L111 L113 T117 V118 Y119M1-I115 HydrophobicContact CE-CG2 4.27Å; M1-I115 HydrophobicContact SD-CG2 3.49Å; M1-I115 WeakPolarHBondContact SD-CG2 3.28Å; I3-I115 HydrophobicContact CD1-CG2 3.85Å; L20-I115 HydrophobicContact CD1-CD1 4.03Å; L20-I115 HydrophobicContact CD2-CD1 3.33Å; L20-I115 HydrophobicContact CG-CD1 4.33Å; M26-I115 HydrophobicContact CE-CB 4.21Å; M26-I115 HydrophobicContact CE-CG2 3.71Å; M26-I115 HydrophobicContact SD-CG2 4.13Å; V49-I115 HydrophobicContact CG1-CG2 4.5Å; L51-I115 HydrophobicContact CD1-CD1 4.08Å; L51-I115 HydrophobicContact CD2-CD1 4.15Å; L51-I115 HydrophobicContact CD2-CG1 3.97Å; L79-I115 HydrophobicContact CD2-CG1 3.84Å; L111-I115 HydrophobicContact CD1-CD1 3.93Å; L111-I115 HydrophobicContact CD1-CG1 4.4Å; L111-I115 HydrophobicContact CG-CD1 3.99Å; L111-I115 VanDerWaalsContact O-CG1 3.28Å; L111-I115 WeakPolarHBondContact O-CG1 3.47Å; L111-I115 PolarHBondContact O-N 2.96Å; L113-I115 VanDerWaalsContact C-N 3.32Å; L113-I115 PolarHBondContact O-N 2.96Å; I115-T117 VanDerWaalsContact C-N 3.3Å; I115-T117 PolarHBondContact O-N 2.61Å; I115-V118 VanDerWaalsContact O-CG2 3.3Å; I115-V118 WeakPolarHBondContact O-CG2 3.4Å; I115-V118 PolarHBondContact O-N 3.11Å; I115-Y119 VanDerWaalsContact O-CB 3.26Å; I115-Y119 WeakPolarHBondContact O-CB 3.5Å; I115-Y119 PolarHBondContact O-N 3.06Å
116R98Very high93.4Very high74 Ų7457.7 Ų57.728%0.27930%0.295SS..Hα-helixtrans-66.1-32.8178.6-70.9179.2-179.4119.71.4112.4M1 Q23 D25 M26 L112 L113 K120M1-R116 HydrophobicContact CE-CG 4.48Å; Q23-R116 VanDerWaalsContact OE1-NH2 3.13Å; D25-R116 IonicContact OD1-CZ 3.73Å; D25-R116 IonicContact OD1-NE 2.61Å; D25-R116 IonicContact OD1-NH2 2.81Å; D25-R116 PolarHBondContact OD1-NH2 3.34Å; D25-R116 IonicContact OD2-CZ 3.54Å; D25-R116 IonicContact OD2-NE 2.7Å; D25-R116 PolarHBondContact OD2-NE 3.49Å; D25-R116 IonicContact OD2-NH2 3.36Å; D25-R116 PolarHBondContact OD2-NH2 3.49Å; M26-R116 HydrophobicContact CE-CG 3.63Å; L112-R116 WeakPolarHBondContact O-CG 3.31Å; L112-R116 PolarHBondContact O-N 2.65Å; L112-R116 VanDerWaalsContact O-N 3.1Å; L113-R116 PolarHBondContact O-N 3.42Å; R116-K120 WeakPolarHBondContact O-CG 3.12Å; R116-K120 PolarHBondContact O-N 3.24Å
117T97.6Very high92.6Very high20 Ų2064.8 Ų64.812%0.12333%0.328CS..Hα-helixtrans-66-53.4174.1-67.10000111L113 A114 I115 Y119 K120 E122 Y124L113-T117 WeakPolarHBondContact O-CB 3.37Å; L113-T117 PolarHBondContact O-N 2.7Å; L113-T117 PolarHBondContact O-OG1 3.39Å; L113-T117 VanDerWaalsContact O-OG1 3.09Å; A114-T117 PolarHBondContact O-N 3.45Å; I115-T117 VanDerWaalsContact C-N 3.3Å; I115-T117 PolarHBondContact O-N 2.61Å; T117-Y119 VanDerWaalsContact C-N 3.28Å; T117-Y119 PolarHBondContact O-N 2.91Å; T117-K120 WeakPolarHBondContact O-CB 3.18Å; T117-K120 PolarHBondContact O-N 3.01Å; T117-K120 VanDerWaalsContact O-N 3.11Å; T117-E122 HydrophobicContact CG2-CB 3.64Å; T117-E122 PolarHBondContact O-N 2.82Å; T117-Y124 HydrophobicContact CG2-CD2 4.35Å
118V97.1Very high91.4Very high0 Ų068.2 Ų68.20%034%0.335CS..Hα-helixtrans-65.8-32.5-179.6-59.80000112.5V49 K77 L79 K99 A114 I115 K120 G121 E122V49-V118 HydrophobicContact CG1-CG2 3.96Å; V49-V118 HydrophobicContact CG2-CG2 4.13Å; K77-V118 HydrophobicContact CB-CB 4.43Å; K77-V118 WeakPolarHBondContact CG-O 3.44Å; L79-V118 HydrophobicContact CB-CG2 4.26Å; L79-V118 HydrophobicContact CD1-CG1 4.11Å; K99-V118 HydrophobicContact CB-CB 4.1Å; K99-V118 HydrophobicContact CB-CG1 3.96Å; K99-V118 WeakPolarHBondContact O-CG1 3.41Å; A114-V118 WeakPolarHBondContact O-CG2 3.44Å; A114-V118 PolarHBondContact O-N 3.18Å; I115-V118 VanDerWaalsContact O-CG2 3.3Å; I115-V118 WeakPolarHBondContact O-CG2 3.4Å; I115-V118 PolarHBondContact O-N 3.11Å; V118-K120 VanDerWaalsContact C-N 3.27Å; V118-K120 PolarHBondContact O-N 3.36Å; V118-G121 WeakPolarHBondContact O-CA 3.44Å; V118-G121 PolarHBondContact O-N 3.29Å; V118-E122 WeakPolarHBondContact CA-O 3.35Å
119Y97.9Very high90.1Very high113 Ų11364 Ų6444%0.44331%0.312SS..Hα-helixtrans-59.7-36.8173.9176.6-110.5000112.7M1 D48 V49 I115 T117 G121M1-Y119 HydrophobicContact CE-CD1 3.57Å; M1-Y119 HydrophobicContact CE-CD2 3.86Å; M1-Y119 HydrophobicContact CE-CE1 4.2Å; M1-Y119 HydrophobicContact CE-CE2 4.47Å; M1-Y119 HydrophobicContact CE-CG 3.35Å; M1-Y119 HydrophobicContact CG-CD2 3.7Å; M1-Y119 HydrophobicContact CG-CE2 3.95Å; M1-Y119 HydrophobicContact CG-CG 4.24Å; M1-Y119 HydrophobicContact SD-CD2 3.91Å; M1-Y119 HydrophobicContact SD-CG 3.9Å; D48-Y119 HydrophobicContact CB-CD2 3.78Å; D48-Y119 HydrophobicContact CB-CE2 3.71Å; V49-Y119 HydrophobicContact CG2-CD2 4.35Å; I115-Y119 VanDerWaalsContact O-CB 3.26Å; I115-Y119 WeakPolarHBondContact O-CB 3.5Å; I115-Y119 PolarHBondContact O-N 3.06Å; T117-Y119 VanDerWaalsContact C-N 3.28Å; T117-Y119 PolarHBondContact O-N 2.91Å; Y119-G121 PolarHBondContact O-N 3.44Å
120K96.6Very high88.9Confident153 Ų15358.7 Ų58.767%0.66529%0.291SS*.THydrogen-bonded Turntrans-72.8-2.2174.4-68.4171.8-177179.20113.4R116 T117 V118 E122R116-K120 WeakPolarHBondContact O-CG 3.12Å; R116-K120 PolarHBondContact O-N 3.24Å; T117-K120 WeakPolarHBondContact O-CB 3.18Å; T117-K120 PolarHBondContact O-N 3.01Å; T117-K120 VanDerWaalsContact O-N 3.11Å; V118-K120 VanDerWaalsContact C-N 3.27Å; V118-K120 PolarHBondContact O-N 3.36Å; K120-E122 VanDerWaalsContact C-N 3.33Å; K120-E122 HydrophobicContact CB-CG 4.47Å
121G93.3Very high87.6Confident39 Ų3959.8 Ų59.840%0.40230%0.303SS..THydrogen-bonded Turntrans84.45.5-176.900000114.2V118 Y119V118-G121 WeakPolarHBondContact O-CA 3.44Å; V118-G121 PolarHBondContact O-N 3.29Å; Y119-G121 PolarHBondContact O-N 3.44Å
122E94Very high86.2Confident109 Ų10960.6 Ų60.651%0.50931%0.309SS..PPolyproline II helixtrans-81.3162.7175.6-64.8172.7-162.900111.1T117 V118 K120T117-E122 HydrophobicContact CG2-CB 3.64Å; T117-E122 PolarHBondContact O-N 2.82Å; V118-E122 WeakPolarHBondContact CA-O 3.35Å; K120-E122 VanDerWaalsContact C-N 3.33Å; K120-E122 HydrophobicContact CB-CG 4.47Å
123T91.5Very high84.8Confident86 Ų8660.9 Ų60.953%0.52831%0.311SS..PPolyproline II helixtrans-94.3127.7175.5-55.50000110.3L94 K99 V125L94-T123 HydrophobicContact CD2-CG2 4.4Å; K99-T123 CarbonylContact O-C 3.59Å; K99-T123 WeakPolarHBondContact O-CA 3.45Å; K99-T123 WeakPolarHBondContact O-CG2 3.46Å; T123-V125 HydrophobicContact CG2-CG2 3.94Å
124Y91Very high83.4Confident30 Ų3060.1 Ų60.112%0.11831%0.309CS..EExtended strand (participates in β ladder)trans-102.8128.6172.8-174.9-90000111.5K99 G100 Y101 I102 L113 A114 T117 D126K99-Y124 PolarHBondContact O-N 3.01Å; G100-Y124 CarbonylContact C-O 3.43Å; G100-Y124 WeakPolarHBondContact CA-O 3.39Å; Y101-Y124 PolarHBondContact N-O 3.23Å; Y101-Y124 WeakPolarHBondContact O-CD1 3.45Å; I102-Y124 HydrophobicContact CB-CE1 4.43Å; I102-Y124 HydrophobicContact CD1-CE1 4.48Å; I102-Y124 HydrophobicContact CG1-CE1 4.38Å; L113-Y124 HydrophobicContact CD2-CE2 4.31Å; L113-Y124 HydrophobicContact CG-CE2 4.27Å; A114-Y124 HydrophobicContact CB-CD1 3.4Å; A114-Y124 VanDerWaalsContact CB-CD1 3.4Å; A114-Y124 HydrophobicContact CB-CD2 3.85Å; A114-Y124 HydrophobicContact CB-CE1 3.54Å; A114-Y124 HydrophobicContact CB-CE2 3.95Å; A114-Y124 HydrophobicContact CB-CG 3.56Å; T117-Y124 HydrophobicContact CG2-CD2 4.35Å; Y124-D126 HydrophobicContact CE1-CB 4.49Å
125V82.3Confident82.1Confident47 Ų4764.5 Ų64.529%0.28533%0.333SS..EExtended strand (participates in β ladder)trans-137.8118179.2-178.90000107.1Y101 T123 M127 T130 L133Y101-V125 HydrophobicContact CE1-CB 4.38Å; Y101-V125 HydrophobicContact CE1-CG1 3.82Å; Y101-V125 HydrophobicContact CE1-CG2 4.27Å; Y101-V125 HydrophobicContact CE2-CG1 4.48Å; Y101-V125 WeakPolarHBondContact OH-CG1 3.17Å; T123-V125 HydrophobicContact CG2-CG2 3.94Å; V125-M127 PolarHBondContact O-N 3.48Å; V125-T130 WeakPolarHBondContact CG1-OG1 3.48Å; V125-L133 HydrophobicContact CG1-CD1 3.78Å
126D76Confident80.6Confident11 Ų1166 Ų666%0.05934%0.34CS..  trans-63.1129.8173.6-170.4-43.3000109.7Y101 Y124 K128 L129 T130Y101-D126 HydrophobicContact CE2-CB 4.42Å; Y124-D126 HydrophobicContact CE1-CB 4.49Å; D126-K128 PolarHBondContact O-N 3.32Å; D126-K128 VanDerWaalsContact O-N 3.13Å; D126-K128 WeakPolarHBondContact OD1-CB 3.31Å; D126-K128 PolarHBondContact OD1-N 3Å; D126-L129 HydrophobicContact CB-CD1 4.42Å; D126-L129 PolarHBondContact O-N 3.36Å; D126-T130 PolarHBondContact O-N 3.45Å; D126-T130 PolarHBondContact O-OG1 3.27Å
127M71.9Confident79.1Confident166 Ų16668.7 Ų68.782%0.81835%0.354SS*.Hα-helixtrans-54.8-32.2-179-160.3174.1-151.200113.2V125 L129 T130V125-M127 PolarHBondContact O-N 3.48Å; M127-L129 PolarHBondContact O-N 2.59Å; M127-T130 PolarHBondContact O-N 3.2Å
128K68.2Low77.6Confident147 Ų14771.2 Ų71.264%0.63937%0.369SS*.Hα-helixtrans-63.4-26.8177.6-68.8180-179.8174.50112.9D126D126-K128 PolarHBondContact O-N 3.32Å; D126-K128 VanDerWaalsContact O-N 3.13Å; D126-K128 WeakPolarHBondContact OD1-CB 3.31Å; D126-K128 PolarHBondContact OD1-N 3Å
129L65.6Low76Confident1 Ų174.4 Ų74.41%0.00539%0.391CS..Hα-helixtrans-105.5-12-174.3-66.9170.1000112T82 F84 E87 L90 Y101 L103 D126 M127 T131 S132 L133T82-L129 HydrophobicContact CG2-CD1 4.38Å; F84-L129 HydrophobicContact CD2-CD2 4.49Å; E87-L129 HydrophobicContact CG-CD2 3.68Å; E87-L129 WeakPolarHBondContact OE1-CD2 3.35Å; L90-L129 HydrophobicContact CD1-CB 4.28Å; L90-L129 HydrophobicContact CD1-CD1 4.39Å; L90-L129 HydrophobicContact CD1-CD2 4.42Å; Y101-L129 HydrophobicContact CD2-CD1 3.66Å; Y101-L129 HydrophobicContact CE2-CB 3.4Å; Y101-L129 VanDerWaalsContact CE2-CB 3.4Å; Y101-L129 HydrophobicContact CE2-CD1 3.24Å; Y101-L129 HydrophobicContact CE2-CG 3.9Å; Y101-L129 WeakPolarHBondContact OH-CB 2.99Å; Y101-L129 PolarHBondContact OH-O 3.17Å; L103-L129 HydrophobicContact CD1-CD1 4.4Å; L103-L129 HydrophobicContact CD2-CD1 3.95Å; L103-L129 HydrophobicContact CG-CD1 3.87Å; D126-L129 HydrophobicContact CB-CD1 4.42Å; D126-L129 PolarHBondContact O-N 3.36Å; M127-L129 PolarHBondContact O-N 2.59Å; L129-T131 VanDerWaalsContact C-N 3.28Å; L129-T131 PolarHBondContact O-N 3.13Å; L129-S132 PolarHBondContact O-N 3.41Å; L129-L133 PolarHBondContact O-N 3.25Å
130T69.1Low74.2Confident53 Ų5370.8 Ų70.833%0.32538%0.38SS..Hα-helixtrans-58.1-37.9176.9-55.40000112.5V125 D126 M127 S132 L133 V134V125-T130 WeakPolarHBondContact CG1-OG1 3.48Å; D126-T130 PolarHBondContact O-N 3.45Å; D126-T130 PolarHBondContact O-OG1 3.27Å; M127-T130 PolarHBondContact O-N 3.2Å; T130-S132 VanDerWaalsContact C-N 3.31Å; T130-S132 PolarHBondContact O-N 3.23Å; T130-L133 PolarHBondContact O-N 2.94Å; T130-V134 HydrophobicContact CG2-CG2 4.32Å; T130-V134 WeakPolarHBondContact O-CG2 3.49Å; T130-V134 PolarHBondContact O-N 3.15Å
131T68Low72.2Confident91 Ų9167.1 Ų67.156%0.55837%0.373SS*.Hα-helixtrans-60.5-42.3179.4-56.70000111.5L129 V134 N135L129-T131 VanDerWaalsContact C-N 3.28Å; L129-T131 PolarHBondContact O-N 3.13Å; T131-V134 PolarHBondContact O-N 2.9Å; T131-N135 WeakPolarHBondContact O-CB 3.47Å; T131-N135 PolarHBondContact O-N 3.01Å; T131-N135 PolarHBondContact O-ND2 2.73Å
132S65.6Low70.3Confident23 Ų2371.3 Ų71.316%0.16139%0.387CS..Hα-helixtrans-67.9-41.5179.8-56.10000111.9E87 L129 T130 V134 N135 E136E87-S132 VanDerWaalsContact CD-CB 3.5Å; E87-S132 PolarHBondContact OE1-OG 3.43Å; E87-S132 WeakPolarHBondContact OE2-CB 3.11Å; E87-S132 PolarHBondContact OE2-OG 2.66Å; L129-S132 PolarHBondContact O-N 3.41Å; T130-S132 VanDerWaalsContact C-N 3.31Å; T130-S132 PolarHBondContact O-N 3.23Å; S132-V134 PolarHBondContact O-N 3.23Å; S132-N135 PolarHBondContact O-N 2.81Å; S132-E136 PolarHBondContact O-N 3.16Å
133L66.4Low68.1Low22 Ų2270.7 Ų70.712%0.11538%0.384CS..Hα-helixtrans-58.9-45172.4-80.6-176.6000113.2L90 F91 L94 Y101 V125 L129 T130 N135 E136 F137L90-L133 HydrophobicContact CB-CD2 3.68Å; L90-L133 HydrophobicContact CB-CG 4.46Å; F91-L133 HydrophobicContact CB-CD2 4.27Å; L94-L133 HydrophobicContact CD1-CD1 3.99Å; L94-L133 HydrophobicContact CD1-CD2 4.2Å; Y101-L133 HydrophobicContact CE1-CD1 3.71Å; Y101-L133 HydrophobicContact CE1-CG 4.4Å; Y101-L133 WeakPolarHBondContact OH-CD1 3.28Å; V125-L133 HydrophobicContact CG1-CD1 3.78Å; L129-L133 PolarHBondContact O-N 3.25Å; T130-L133 PolarHBondContact O-N 2.94Å; L133-N135 VanDerWaalsContact C-N 3.34Å; L133-E136 PolarHBondContact O-N 3.48Å; L133-F137 WeakPolarHBondContact O-CB 3.39Å; L133-F137 PolarHBondContact O-N 3.45Å
134V68.3Low65.8Low77 Ų7773.2 Ų73.247%0.46739%0.394SS..Hα-helixtrans-63.9-43.4179171.80000110.3T130 T131 S132 E136 F137 V138T130-V134 HydrophobicContact CG2-CG2 4.32Å; T130-V134 WeakPolarHBondContact O-CG2 3.49Å; T130-V134 PolarHBondContact O-N 3.15Å; T131-V134 PolarHBondContact O-N 2.9Å; S132-V134 PolarHBondContact O-N 3.23Å; V134-E136 VanDerWaalsContact C-N 3.32Å; V134-E136 PolarHBondContact O-N 3.15Å; V134-F137 PolarHBondContact O-N 2.96Å; V134-V138 HydrophobicContact CG1-CG2 4.48Å; V134-V138 VanDerWaalsContact O-CG2 3.32Å; V134-V138 WeakPolarHBondContact O-CG2 3.43Å; V134-V138 PolarHBondContact O-N 3.47Å
135N67.9Low63.9Low92 Ų9278.3 Ų78.349%0.49243%0.429SS..Hα-helixtrans-61.5-40.5177.4-71.7-21.7000112T131 S132 L133 S139T131-N135 WeakPolarHBondContact O-CB 3.47Å; T131-N135 PolarHBondContact O-N 3.01Å; T131-N135 PolarHBondContact O-ND2 2.73Å; S132-N135 PolarHBondContact O-N 2.81Å; L133-N135 VanDerWaalsContact C-N 3.34Å; N135-S139 VanDerWaalsContact O-CB 3.31Å; N135-S139 WeakPolarHBondContact O-CB 3.33Å; N135-S139 PolarHBondContact O-N 3.04Å; N135-S139 PolarHBondContact O-OG 3.31Å
136E66.4Low62.3Low31 Ų3180.1 Ų80.115%0.14545%0.448CS..Hα-helixtrans-68.9-41177.9-157.1-169.7154.400111.9F91 H92 S132 L133 V134 V138 S139 N140F91-E136 VanDerWaalsContact CB-CD 3.46Å; F91-E136 WeakPolarHBondContact CB-OE1 2.69Å; F91-E136 WeakPolarHBondContact CB-OE2 3.34Å; H92-E136 IonicContact CD2-OE1 2.92Å; H92-E136 IonicContact NE2-OE1 2.68Å; S132-E136 PolarHBondContact O-N 3.16Å; L133-E136 PolarHBondContact O-N 3.48Å; V134-E136 VanDerWaalsContact C-N 3.32Å; V134-E136 PolarHBondContact O-N 3.15Å; E136-V138 PolarHBondContact O-N 3.3Å; E136-S139 PolarHBondContact O-N 3.29Å; E136-N140 WeakPolarHBondContact O-CB 3.49Å; E136-N140 PolarHBondContact O-N 3.36Å
137F66.3Low61.1Low132 Ų13286.3 Ų86.358%0.57948%0.481SS*.Hα-helixtrans-58.8-47174.3-176.2-94.1000111.8F91 L133 V134 S139 N140 S141F91-F137 HydrophobicContact CE2-CD2 4.1Å; L133-F137 WeakPolarHBondContact O-CB 3.39Å; L133-F137 PolarHBondContact O-N 3.45Å; V134-F137 PolarHBondContact O-N 2.96Å; F137-S139 VanDerWaalsContact C-N 3.34Å; F137-S139 PolarHBondContact O-N 2.94Å; F137-N140 PolarHBondContact O-N 3.34Å; F137-S141 PolarHBondContact O-N 3Å
138V65.2Low60.6Low73 Ų7380.4 Ų80.444%0.44246%0.455SS..Hα-helixtrans-65.3-37.2177.1173.40000111.6V134 E136 S141V134-V138 HydrophobicContact CG1-CG2 4.48Å; V134-V138 VanDerWaalsContact O-CG2 3.32Å; V134-V138 WeakPolarHBondContact O-CG2 3.43Å; V134-V138 PolarHBondContact O-N 3.47Å; E136-V138 PolarHBondContact O-N 3.3Å; V138-S141 PolarHBondContact O-OG 3.02Å
139S64.4Low60.6Low66 Ų6676.9 Ų76.946%0.46245%0.445SS..Hα-helixtrans-68.8-36.5178-610000112.2N135 E136 F137N135-S139 VanDerWaalsContact O-CB 3.31Å; N135-S139 WeakPolarHBondContact O-CB 3.33Å; N135-S139 PolarHBondContact O-N 3.04Å; N135-S139 PolarHBondContact O-OG 3.31Å; E136-S139 PolarHBondContact O-N 3.29Å; F137-S139 VanDerWaalsContact C-N 3.34Å; F137-S139 PolarHBondContact O-N 2.94Å
140N59.3Low61.1Low37 Ų3777.3 Ų77.320%0.19845%0.448CS..Hα-helixtrans-80.8-23.3179.3-82-32.7000113.7E136 F137 N142E136-N140 WeakPolarHBondContact O-CB 3.49Å; E136-N140 PolarHBondContact O-N 3.36Å; F137-N140 PolarHBondContact O-N 3.34Å; N140-N142 PolarHBondContact O-N 2.99Å
141S55.8Low61.5Low76 Ų7675 Ų7553%0.53143%0.434SS..Hα-helixtrans-69.8-23.4175.166.90000113.2F137 V138F137-S141 PolarHBondContact O-N 3Å; V138-S141 PolarHBondContact O-OG 3.02Å
142N52Low61.9Low128 Ų12872.6 Ų72.668%0.68442%0.416SS*.THydrogen-bonded Turntrans-97.5-3-175.3-66-11.6000113.9N140N140-N142 PolarHBondContact O-N 2.99Å
143Q48.8Very low62.5Low96 Ų9676.4 Ų76.445%0.44943%0.429SS..SBendtrans-93.5104.7177.6-69.2-172.728.300109.9T145Q143-T145 PolarHBondContact O-N 3.48Å
144D43.7Very low63.3Low138 Ų13877.3 Ų77.374%0.73843%0.434SS*.  trans-45.7131.2166.3-77-41000110.2A146 N147D144-A146 PolarHBondContact O-N 3.14Å; D144-N147 PolarHBondContact O-N 3.2Å
145T51.3Low64.2Low138 Ų13874.2 Ų74.285%0.84741%0.414SS*.G310 helixtrans-55.5-15.1-177.651.60000114.1Q143 N147Q143-T145 PolarHBondContact O-N 3.48Å; T145-N147 PolarHBondContact O-N 3.21Å
146A48.8Very low65Low84 Ų8472.1 Ų72.169%0.69441%0.407SS*.G310 helixtrans-68.7-29.4-176.800000114.4D144D144-A146 PolarHBondContact O-N 3.14Å
147N49.6Very low65.7Low141 Ų14174.7 Ų74.775%0.75442%0.418SS*.G310 helixtrans-130.839.1-174-76.1-21.5000113.1D144 T145 T149D144-N147 PolarHBondContact O-N 3.2Å; T145-N147 PolarHBondContact O-N 3.21Å; N147-T149 PolarHBondContact O-N 3.28Å; N147-T149 VanDerWaalsContact O-N 3.1Å
148T61.1Low66.6Low43 Ų4372.2 Ų72.226%0.26441%0.405SS..  trans-59.1119.7176178.60000110.2D150 K153 I154T148-D150 VanDerWaalsContact C-N 3.32Å; T148-D150 VanDerWaalsContact OG1-CB 3.28Å; T148-D150 WeakPolarHBondContact OG1-CB 3.1Å; T148-D150 PolarHBondContact OG1-N 3.2Å; T148-K153 HydrophobicContact CG2-CB 4.44Å; T148-I154 HydrophobicContact CG2-CG1 4.3Å; T148-I154 WeakPolarHBondContact O-CD1 3.49Å
149T69.4Low67.8Low72 Ų7269 Ų6944%0.44238%0.384SS..  trans-968.2168.659.30000111.6N147 P151 Y208 K212N147-T149 PolarHBondContact O-N 3.28Å; N147-T149 VanDerWaalsContact O-N 3.1Å; T149-P151 WeakPolarHBondContact O-CD 3.41Å; T149-Y208 PolarHBondContact O-OH 3.4Å; T149-K212 VanDerWaalsContact O-CE 3.24Å; T149-K212 WeakPolarHBondContact O-CE 3.46Å; T149-K212 PolarHBondContact O-NZ 3Å; T149-K212 PolarHBondContact OG1-NZ 3.34Å
150D75Confident68.8Low11 Ų1167 Ų676%0.05937%0.369CS..  trans-70.9113.1-179.4177.6-1.4000110.5H92 T148 F152 K153 I154H92-D150 IonicContact CE1-OD1 2.75Å; H92-D150 PolarHBondContact CE1-OD1 3.39Å; H92-D150 IonicContact CE1-OD2 3.8Å; H92-D150 PolarHBondContact CE1-OD2 3.14Å; H92-D150 VanDerWaalsContact CE1-OD2 3.32Å; H92-D150 IonicContact NE2-OD1 3.47Å; T148-D150 VanDerWaalsContact C-N 3.32Å; T148-D150 VanDerWaalsContact OG1-CB 3.28Å; T148-D150 WeakPolarHBondContact OG1-CB 3.1Å; T148-D150 PolarHBondContact OG1-N 3.2Å; D150-F152 PolarHBondContact O-N 2.95Å; D150-F152 WeakPolarHBondContact OD1-CB 3.43Å; D150-F152 WeakPolarHBondContact OD1-CD2 3.02Å; D150-F152 PolarHBondContact OD1-N 2.79Å; D150-K153 HydrophobicContact CB-CB 4.34Å; D150-K153 HydrophobicContact CB-CD 4.12Å; D150-K153 HydrophobicContact CB-CG 4.34Å; D150-K153 PolarHBondContact O-N 3.02Å; D150-K153 WeakPolarHBondContact OD2-CD 3.35Å; D150-K153 VanDerWaalsContact OD2-CE 3.27Å; D150-K153 WeakPolarHBondContact OD2-CE 3.35Å; D150-K153 WeakPolarHBondContact OD2-CG 3.49Å; D150-K153 IonicContact OD2-NZ 3Å; D150-I154 VanDerWaalsContact O-CD1 3.3Å; D150-I154 WeakPolarHBondContact O-CD1 3.43Å; D150-I154 VanDerWaalsContact O-CG1 3.22Å; D150-I154 WeakPolarHBondContact O-CG1 3.48Å; D150-I154 PolarHBondContact O-N 3.32Å
151P78.9Confident70Confident5 Ų566.3 Ų66.33%0.03236%0.364CS..Hα-helixtrans-59-31-179.626.9-35.2000112.1T149 K153 I154 L155 L160 Y208 L214T149-P151 WeakPolarHBondContact O-CD 3.41Å; P151-K153 VanDerWaalsContact C-N 3.31Å; P151-K153 PolarHBondContact O-N 3.5Å; P151-I154 PolarHBondContact O-N 3.47Å; P151-L155 HydrophobicContact CB-CD1 4.18Å; P151-L155 VanDerWaalsContact O-CB 3.3Å; P151-L155 WeakPolarHBondContact O-CB 3.33Å; P151-L155 PolarHBondContact O-N 2.79Å; P151-L160 HydrophobicContact CB-CD2 4.06Å; P151-Y208 HydrophobicContact CB-CE1 4.25Å; P151-Y208 WeakPolarHBondContact CB-OH 3.35Å; P151-Y208 WeakPolarHBondContact CD-OH 3.35Å; P151-L214 HydrophobicContact CB-CD1 3.86Å; P151-L214 HydrophobicContact CG-CD1 3.86Å; P151-L214 HydrophobicContact CG-CD2 3.98Å; P151-L214 HydrophobicContact CG-CG 4.36Å
152F75.3Confident71.6Confident39 Ų3962.7 Ų62.717%0.17134%0.339CS..Hα-helixtrans-73.5-21-177.9-63.3-72.7000113.9L63 Y89 H92 D150 L160 L214L63-F152 HydrophobicContact CD2-CD1 4.5Å; L63-F152 HydrophobicContact CD2-CE1 3.4Å; L63-F152 HydrophobicContact CD2-CZ 3.77Å; L63-F152 HydrophobicContact CG-CE1 4.36Å; Y89-F152 AromaticContact CD1-CE2 3.52Å; Y89-F152 HydrophobicContact CD1-CE2 3.52Å; Y89-F152 AromaticContact CD1-CZ 3.38Å; Y89-F152 HydrophobicContact CD1-CZ 3.38Å; Y89-F152 AromaticContact CE1-CE2 3.55Å; Y89-F152 HydrophobicContact CE1-CE2 3.55Å; Y89-F152 AromaticContact CE1-CZ 3.48Å; Y89-F152 HydrophobicContact CE1-CZ 3.48Å; Y89-F152 VanDerWaalsContact CE1-CZ 3.48Å; H92-F152 HydrophobicContact CB-CD2 4.38Å; H92-F152 HydrophobicContact CB-CG 4.37Å; H92-F152 AromaticContact CD2-CD2 3.35Å; H92-F152 WeakPolarHBondContact CD2-CD2 3.45Å; H92-F152 AromaticContact CD2-CE2 3.62Å; H92-F152 AromaticContact CE1-CD2 3.4Å; H92-F152 VanDerWaalsContact CE1-CD2 3.4Å; H92-F152 WeakPolarHBondContact CE1-CD2 3.28Å; H92-F152 AromaticContact CE1-CG 3.74Å; H92-F152 AromaticContact CG-CD2 3.51Å; H92-F152 AromaticContact CG-CE2 3.98Å; H92-F152 AromaticContact CG-CG 3.74Å; H92-F152 WeakPolarHBondContact ND1-CB 3.38Å; H92-F152 AromaticContact ND1-CD2 3.55Å; H92-F152 AromaticContact ND1-CG 3.53Å; H92-F152 AromaticContact NE2-CD2 3.27Å; H92-F152 VanDerWaalsContact NE2-CD2 3.27Å; H92-F152 WeakPolarHBondContact NE2-CD2 3.44Å; H92-F152 AromaticContact NE2-CE2 3.9Å; D150-F152 PolarHBondContact O-N 2.95Å; D150-F152 WeakPolarHBondContact OD1-CB 3.43Å; D150-F152 WeakPolarHBondContact OD1-CD2 3.02Å; D150-F152 PolarHBondContact OD1-N 2.79Å; F152-L160 HydrophobicContact CD1-CD1 3.65Å; F152-L160 HydrophobicContact CD1-CD2 3.99Å; F152-L160 HydrophobicContact CD1-CG 4.49Å; F152-L160 HydrophobicContact CE1-CD1 4.01Å; F152-L160 HydrophobicContact CE1-CD2 3.94Å; F152-L214 HydrophobicContact CE2-CD2 4.39Å; F152-L214 HydrophobicContact CZ-CD2 4.14Å
153K77.9Confident73.4Confident104 Ų10456.6 Ų56.645%0.45231%0.306SS..Hα-helixtrans-89.3-22172.6-71.2173.6-170.81650112.8T148 D150 P151T148-K153 HydrophobicContact CG2-CB 4.44Å; D150-K153 HydrophobicContact CB-CB 4.34Å; D150-K153 HydrophobicContact CB-CD 4.12Å; D150-K153 HydrophobicContact CB-CG 4.34Å; D150-K153 PolarHBondContact O-N 3.02Å; D150-K153 WeakPolarHBondContact OD2-CD 3.35Å; D150-K153 VanDerWaalsContact OD2-CE 3.27Å; D150-K153 WeakPolarHBondContact OD2-CE 3.35Å; D150-K153 WeakPolarHBondContact OD2-CG 3.49Å; D150-K153 IonicContact OD2-NZ 3Å; P151-K153 VanDerWaalsContact C-N 3.31Å; P151-K153 PolarHBondContact O-N 3.5Å
154I83.9Confident75.3Confident40 Ų4052.1 Ų52.121%0.20529%0.286CS..Hα-helixtrans-101-42.8-170.3-62.1165.5000111.7T148 D150 P151 K196 L197T148-I154 HydrophobicContact CG2-CG1 4.3Å; T148-I154 WeakPolarHBondContact O-CD1 3.49Å; D150-I154 VanDerWaalsContact O-CD1 3.3Å; D150-I154 WeakPolarHBondContact O-CD1 3.43Å; D150-I154 VanDerWaalsContact O-CG1 3.22Å; D150-I154 WeakPolarHBondContact O-CG1 3.48Å; D150-I154 PolarHBondContact O-N 3.32Å; P151-I154 PolarHBondContact O-N 3.47Å; I154-K196 HydrophobicContact CG2-CB 3.69Å; I154-K196 WeakPolarHBondContact CG2-O 3.3Å; I154-L197 HydrophobicContact CB-CD2 4.43Å; I154-L197 HydrophobicContact CD1-CD2 4.09Å; I154-L197 HydrophobicContact CG2-CD2 4Å
155L87.3Confident77.5Confident12 Ų1246.4 Ų46.46%0.06326%0.255CS..SBendtrans-95.2144.4-172.3-59.5-178.2000111.2P151 E159 L160 L163 I193 K196 L197P151-L155 HydrophobicContact CB-CD1 4.18Å; P151-L155 VanDerWaalsContact O-CB 3.3Å; P151-L155 WeakPolarHBondContact O-CB 3.33Å; P151-L155 PolarHBondContact O-N 2.79Å; L155-E159 HydrophobicContact CB-CB 3.96Å; L155-E159 HydrophobicContact CD2-CB 4.26Å; L155-L160 HydrophobicContact CB-CD2 4.02Å; L155-L160 HydrophobicContact CB-CG 3.89Å; L155-L160 HydrophobicContact CD1-CD2 4.1Å; L155-L163 HydrophobicContact CD1-CD1 3.58Å; L155-I193 HydrophobicContact CD2-CG1 4.25Å; L155-I193 HydrophobicContact CD2-CG2 4.46Å; L155-K196 HydrophobicContact CD2-CB 4.12Å; L155-K196 HydrophobicContact CD2-CD 4.16Å; L155-L197 HydrophobicContact CD1-CD1 4.25Å; L155-L197 HydrophobicContact CD1-CD2 4.44Å; L155-L197 HydrophobicContact CD2-CD2 4.21Å; L155-L197 HydrophobicContact CD2-CG 4.1Å; L155-L197 HydrophobicContact CG-CD2 4.28Å
156S85.4Confident79.4Confident48 Ų4840.2 Ų40.234%0.33622%0.217SC..  trans-70.3160.9168.864.70000111.1R158 E159 L160S156-R158 PolarHBondContact O-N 3.23Å; S156-E159 WeakPolarHBondContact CB-OE2 3.48Å; S156-E159 PolarHBondContact N-OE2 2.96Å; S156-E159 WeakPolarHBondContact O-CB 3.36Å; S156-E159 PolarHBondContact O-N 3.45Å; S156-E159 WeakPolarHBondContact OG-CG 3.47Å; S156-E159 PolarHBondContact OG-N 3Å; S156-E159 PolarHBondContact OG-OE2 3.29Å; S156-L160 PolarHBondContact O-N 3.38Å
157K80.3Confident81.5Confident85 Ų8536.8 Ų36.837%0.3719%0.189SC..Hα-helixtrans-48.5-46.1177-62.2-175.9-176.7-178.20112S67 D71 E159 L160 E161S67-K157 VanDerWaalsContact OG-CE 3.27Å; S67-K157 WeakPolarHBondContact OG-CE 3.48Å; S67-K157 PolarHBondContact OG-NZ 3.32Å; D71-K157 IonicContact OD2-NZ 3.82Å; D71-K157 PolarHBondContact OD2-NZ 2.92Å; K157-E159 PolarHBondContact O-N 2.74Å; K157-L160 WeakPolarHBondContact O-CB 3.27Å; K157-L160 PolarHBondContact O-N 2.96Å; K157-E161 PolarHBondContact O-N 2.85Å
158R84.6Confident83.3Confident81 Ų8134.2 Ų34.231%0.30617%0.171SC..Hα-helixtrans-67.8-34.8178.7-17660.973.5169.412.4113.5S156 E161 I162 H189S156-R158 PolarHBondContact O-N 3.23Å; R158-E161 WeakPolarHBondContact CD-OE2 3Å; R158-E161 IonicContact CZ-OE2 3.99Å; R158-E161 IonicContact NE-OE2 3.79Å; R158-E161 IonicContact NH1-OE2 3.79Å; R158-E161 PolarHBondContact NH1-OE2 2.85Å; R158-E161 WeakPolarHBondContact O-CB 3.26Å; R158-E161 PolarHBondContact O-N 3.3Å; R158-I162 HydrophobicContact CG-CD1 3.98Å; R158-I162 VanDerWaalsContact O-CG1 3.3Å; R158-I162 WeakPolarHBondContact O-CG1 3.49Å; R158-I162 PolarHBondContact O-N 3.07Å; R158-H189 WeakPolarHBondContact CG-NE2 3.19Å
159E90Very high84.7Confident4 Ų434.1 Ų34.12%0.01918%0.178CC..Hα-helixtrans-71.7-33.6177.2-72.5162.416600111.6L155 S156 K157 E161 I162 L163 H192 I193 K196L155-E159 HydrophobicContact CB-CB 3.96Å; L155-E159 HydrophobicContact CD2-CB 4.26Å; S156-E159 WeakPolarHBondContact CB-OE2 3.48Å; S156-E159 PolarHBondContact N-OE2 2.96Å; S156-E159 WeakPolarHBondContact O-CB 3.36Å; S156-E159 PolarHBondContact O-N 3.45Å; S156-E159 WeakPolarHBondContact OG-CG 3.47Å; S156-E159 PolarHBondContact OG-N 3Å; S156-E159 PolarHBondContact OG-OE2 3.29Å; K157-E159 PolarHBondContact O-N 2.74Å; E159-E161 VanDerWaalsContact C-N 3.33Å; E159-I162 PolarHBondContact O-N 2.97Å; E159-L163 WeakPolarHBondContact O-CB 3.33Å; E159-L163 PolarHBondContact O-N 3.36Å; E159-H192 VanDerWaalsContact OE1-CB 3.23Å; E159-H192 WeakPolarHBondContact OE1-CB 3.25Å; E159-I193 HydrophobicContact CB-CD1 4.06Å; E159-I193 HydrophobicContact CB-CG1 3.66Å; E159-I193 HydrophobicContact CG-CD1 4.3Å; E159-I193 HydrophobicContact CG-CG1 3.79Å; E159-K196 IonicContact OE1-NZ 3.38Å; E159-K196 PolarHBondContact OE1-NZ 2.7Å; E159-K196 IonicContact OE2-NZ 3.59Å; E159-K196 PolarHBondContact OE2-NZ 3.41Å
160L86.6Confident85.8Confident26 Ų2634.4 Ų34.414%0.13617%0.172CC..Hα-helixtrans-64.5-33.6171.5-72.1166.6000112.6P151 F152 L155 S156 K157 P164P151-L160 HydrophobicContact CB-CD2 4.06Å; F152-L160 HydrophobicContact CD1-CD1 3.65Å; F152-L160 HydrophobicContact CD1-CD2 3.99Å; F152-L160 HydrophobicContact CD1-CG 4.49Å; F152-L160 HydrophobicContact CE1-CD1 4.01Å; F152-L160 HydrophobicContact CE1-CD2 3.94Å; L155-L160 HydrophobicContact CB-CD2 4.02Å; L155-L160 HydrophobicContact CB-CG 3.89Å; L155-L160 HydrophobicContact CD1-CD2 4.1Å; S156-L160 PolarHBondContact O-N 3.38Å; K157-L160 WeakPolarHBondContact O-CB 3.27Å; K157-L160 PolarHBondContact O-N 2.96Å; L160-P164 WeakPolarHBondContact O-CD 3.45Å; L160-P164 WeakPolarHBondContact O-CG 3.44Å
161E83.9Confident86.6Confident21 Ų2135.4 Ų35.410%0.09819%0.185CC..Hα-helixtrans-66.7-41.9171.6-64.8169-152.100111.9I64 K157 R158 E159 L179I64-E161 HydrophobicContact CD1-CB 4.24Å; I64-E161 HydrophobicContact CD1-CG 2.97Å; I64-E161 WeakPolarHBondContact CD1-OE1 3.47Å; I64-E161 HydrophobicContact CG1-CG 4.44Å; K157-E161 PolarHBondContact O-N 2.85Å; R158-E161 WeakPolarHBondContact CD-OE2 3Å; R158-E161 IonicContact CZ-OE2 3.99Å; R158-E161 IonicContact NE-OE2 3.79Å; R158-E161 IonicContact NH1-OE2 3.79Å; R158-E161 PolarHBondContact NH1-OE2 2.85Å; R158-E161 WeakPolarHBondContact O-CB 3.26Å; R158-E161 PolarHBondContact O-N 3.3Å; E159-E161 VanDerWaalsContact C-N 3.33Å; E161-L179 HydrophobicContact CB-CD1 4.42Å; E161-L179 HydrophobicContact CB-CD2 4.45Å
162I89.4Confident87.3Confident0 Ų037.3 Ų37.30%020%0.195CC..Hα-helixtrans-76.4-41.8-169.7-72.2169.4000110.6R158 E159 L165 I166 I175 L179 H189 I193R158-I162 HydrophobicContact CG-CD1 3.98Å; R158-I162 VanDerWaalsContact O-CG1 3.3Å; R158-I162 WeakPolarHBondContact O-CG1 3.49Å; R158-I162 PolarHBondContact O-N 3.07Å; E159-I162 PolarHBondContact O-N 2.97Å; I162-L165 WeakPolarHBondContact O-CB 3.41Å; I162-L165 PolarHBondContact O-N 3.27Å; I162-I166 HydrophobicContact CG2-CD1 3.73Å; I162-I166 HydrophobicContact CG2-CG1 3.85Å; I162-I166 WeakPolarHBondContact O-CG1 3.47Å; I162-I166 PolarHBondContact O-N 3.04Å; I162-I166 VanDerWaalsContact O-N 3.08Å; I162-I175 HydrophobicContact CG1-CG2 4.38Å; I162-L179 HydrophobicContact CD1-CD1 4.13Å; I162-L179 HydrophobicContact CG1-CD1 3.36Å; I162-H189 HydrophobicContact CD1-CB 3.39Å; I162-I193 HydrophobicContact CB-CD1 4.03Å; I162-I193 HydrophobicContact CG2-CD1 3.8Å
163L91Very high88.2Confident0 Ų042 Ų420%022%0.215CC..Hα-helixtrans-48.1-53.2-176.4-175158.4000114.1L155 E159 L165 I166 A167 I193 L197 Y208 A209 L214L155-L163 HydrophobicContact CD1-CD1 3.58Å; E159-L163 WeakPolarHBondContact O-CB 3.33Å; E159-L163 PolarHBondContact O-N 3.36Å; L163-L165 VanDerWaalsContact C-N 3.27Å; L163-L165 PolarHBondContact O-N 2.78Å; L163-I166 WeakPolarHBondContact O-CB 3.18Å; L163-I166 PolarHBondContact O-N 3.06Å; L163-A167 PolarHBondContact O-N 2.7Å; L163-I193 HydrophobicContact CB-CD1 4.48Å; L163-I193 HydrophobicContact CD1-CG2 4.14Å; L163-L197 HydrophobicContact CD1-CD1 3.77Å; L163-Y208 HydrophobicContact CD1-CD1 4.32Å; L163-Y208 HydrophobicContact CD1-CE1 4.23Å; L163-A209 HydrophobicContact CD2-CB 3.65Å; L163-L214 HydrophobicContact CD1-CD1 3.8Å; L163-L214 HydrophobicContact CD2-CB 3.66Å; L163-L214 HydrophobicContact CD2-CD1 3.51Å; L163-L214 HydrophobicContact CD2-CG 4.26Å; L163-L214 HydrophobicContact CG-CD1 4.3Å
164P88.7Confident88.9Confident3 Ų341.7 Ų41.72%0.01922%0.215CC..Hα-helixtrans-54.3-43.4176.8-3.5-5000112.5L160 I166 A167 K168 L214 F217L160-P164 WeakPolarHBondContact O-CD 3.45Å; L160-P164 WeakPolarHBondContact O-CG 3.44Å; P164-I166 VanDerWaalsContact C-N 3.33Å; P164-I166 PolarHBondContact O-N 2.95Å; P164-A167 PolarHBondContact O-N 3.07Å; P164-A167 VanDerWaalsContact O-N 3.16Å; P164-K168 WeakPolarHBondContact O-CB 3.16Å; P164-K168 WeakPolarHBondContact O-CG 3.27Å; P164-K168 PolarHBondContact O-N 3.33Å; P164-L214 WeakPolarHBondContact CB-O 3.38Å; P164-F217 WeakPolarHBondContact CB-O 3.25Å; P164-F217 HydrophobicContact CG-CB 4.16Å
165L89.8Confident89.3Confident17 Ų1739.8 Ų39.89%0.08921%0.205CC..Hα-helixtrans-65.7-38.2-177.4-57175.2000111.4I162 L163 A167 G169 Y170 I175 K178 L179I162-L165 WeakPolarHBondContact O-CB 3.41Å; I162-L165 PolarHBondContact O-N 3.27Å; L163-L165 VanDerWaalsContact C-N 3.27Å; L163-L165 PolarHBondContact O-N 2.78Å; L165-A167 VanDerWaalsContact C-N 3.32Å; L165-G169 PolarHBondContact O-N 3.46Å; L165-Y170 HydrophobicContact CB-CD2 4.05Å; L165-Y170 HydrophobicContact CD2-CD2 3.93Å; L165-Y170 HydrophobicContact CD2-CE2 3.96Å; L165-Y170 WeakPolarHBondContact O-CB 3.45Å; L165-Y170 WeakPolarHBondContact O-CD2 3.27Å; L165-Y170 PolarHBondContact O-N 3.07Å; L165-I175 HydrophobicContact CB-CD1 3.96Å; L165-I175 HydrophobicContact CB-CG1 3.82Å; L165-I175 HydrophobicContact CD1-CG1 4.33Å; L165-I175 HydrophobicContact CD1-CG2 3.99Å; L165-K178 HydrophobicContact CD2-CD 4.27Å; L165-L179 HydrophobicContact CD1-CD1 4.1Å; L165-L179 HydrophobicContact CD1-CD2 4.32Å; L165-L179 HydrophobicContact CD1-CG 4.15Å
166I91.3Very high89.5Confident8 Ų839.5 Ų39.54%0.04121%0.205CC..Hα-helixtrans-61.5-46.7173.6-51.2173000110.1I162 L163 P164 G169 I175 K190 I193 L205I162-I166 HydrophobicContact CG2-CD1 3.73Å; I162-I166 HydrophobicContact CG2-CG1 3.85Å; I162-I166 WeakPolarHBondContact O-CG1 3.47Å; I162-I166 PolarHBondContact O-N 3.04Å; I162-I166 VanDerWaalsContact O-N 3.08Å; L163-I166 WeakPolarHBondContact O-CB 3.18Å; L163-I166 PolarHBondContact O-N 3.06Å; P164-I166 VanDerWaalsContact C-N 3.33Å; P164-I166 PolarHBondContact O-N 2.95Å; I166-G169 PolarHBondContact O-N 3.32Å; I166-G169 VanDerWaalsContact O-N 3.07Å; I166-I175 HydrophobicContact CG1-CD1 4.18Å; I166-K190 HydrophobicContact CD1-CD 4.32Å; I166-K190 HydrophobicContact CD1-CG 3.56Å; I166-K190 HydrophobicContact CG1-CD 4.47Å; I166-K190 VanDerWaalsContact CG1-CE 3.45Å; I166-K190 HydrophobicContact CG1-CG 4.16Å; I166-I193 HydrophobicContact CD1-CD1 4.02Å; I166-L205 HydrophobicContact CB-CD2 3.9Å; I166-L205 HydrophobicContact CD1-CD1 3.99Å; I166-L205 HydrophobicContact CG2-CD1 4.23Å; I166-L205 HydrophobicContact CG2-CD2 3.82Å
167A91Very high89.7Confident13 Ų1342.7 Ų42.711%0.10721%0.214CC..Hα-helixtrans-71.4-34.4-173.100000112.2L163 P164 L165 G169 L205 V206 A209 L215L163-A167 PolarHBondContact O-N 2.7Å; P164-A167 PolarHBondContact O-N 3.07Å; P164-A167 VanDerWaalsContact O-N 3.16Å; L165-A167 VanDerWaalsContact C-N 3.32Å; A167-G169 PolarHBondContact O-N 3.49Å; A167-L205 HydrophobicContact CB-CD2 3.82Å; A167-V206 HydrophobicContact CB-CG2 4.41Å; A167-A209 HydrophobicContact CB-CB 3.55Å; A167-L215 HydrophobicContact CB-CD2 3.28Å
168K89.2Confident89.9Confident87 Ų8741.5 Ų41.538%0.37821%0.209SC..THydrogen-bonded Turntrans-67.2-11.2168.3-74.1175.8180167.60113.9P164 Y170 L215 F217P164-K168 WeakPolarHBondContact O-CB 3.16Å; P164-K168 WeakPolarHBondContact O-CG 3.27Å; P164-K168 PolarHBondContact O-N 3.33Å; K168-Y170 HydrophobicContact CB-CD2 3.8Å; K168-Y170 HydrophobicContact CB-CE2 3.78Å; K168-Y170 HydrophobicContact CD-CE2 3.99Å; K168-L215 WeakPolarHBondContact CE-O 3.36Å; K168-L215 HydrophobicContact CG-CD2 4.4Å; K168-L215 PolarHBondContact NZ-O 2.77Å; K168-F217 PolarHBondContact NZ-O 2.89Å
169G90Very high89.9Confident41 Ų4138.8 Ų38.842%0.42320%0.2SC..THydrogen-bonded Turntrans98.63173.900000115.7L165 I166 A167 G171L165-G169 PolarHBondContact O-N 3.46Å; I166-G169 PolarHBondContact O-N 3.32Å; I166-G169 VanDerWaalsContact O-N 3.07Å; A167-G169 PolarHBondContact O-N 3.49Å; G169-G171 PolarHBondContact O-N 3.17Å
170Y91.1Very high89.7Confident77 Ų7747.8 Ų47.830%0.30224%0.24SC..  trans-59.7136.5178.5-66.9-83.9000112L165 K168 E174 K178L165-Y170 HydrophobicContact CB-CD2 4.05Å; L165-Y170 HydrophobicContact CD2-CD2 3.93Å; L165-Y170 HydrophobicContact CD2-CE2 3.96Å; L165-Y170 WeakPolarHBondContact O-CB 3.45Å; L165-Y170 WeakPolarHBondContact O-CD2 3.27Å; L165-Y170 PolarHBondContact O-N 3.07Å; K168-Y170 HydrophobicContact CB-CD2 3.8Å; K168-Y170 HydrophobicContact CB-CE2 3.78Å; K168-Y170 HydrophobicContact CD-CE2 3.99Å; Y170-E174 WeakPolarHBondContact CA-OE2 3.43Å; Y170-E174 HydrophobicContact CD1-CB 4.1Å; Y170-K178 HydrophobicContact CE1-CD 4.37Å
171G92.2Very high89.9Confident32 Ų3248.5 Ų48.533%0.3325%0.245SC..  trans-72.4161.2174.400000112.6G169 K173 E174 I175G169-G171 PolarHBondContact O-N 3.17Å; G171-K173 PolarHBondContact O-N 3.08Å; G171-E174 PolarHBondContact N-OE2 2.67Å; G171-E174 PolarHBondContact O-N 2.9Å; G171-E174 VanDerWaalsContact O-N 3.14Å; G171-I175 WeakPolarHBondContact O-CG1 3.4Å; G171-I175 PolarHBondContact O-N 2.94Å
172N93.6Very high90.3Very high45 Ų4550.4 Ų50.424%0.24126%0.261CS..Hα-helixtrans-57.7-37.3-176.9-61.9-7000112.4A176 V183 V186 E187 K190N172-A176 WeakPolarHBondContact O-CB 3.44Å; N172-A176 PolarHBondContact O-N 3.18Å; N172-V183 HydrophobicContact CB-CG1 3.79Å; N172-V186 HydrophobicContact CB-CG1 4.4Å; N172-E187 WeakPolarHBondContact ND2-CG 3.21Å; N172-E187 PolarHBondContact ND2-OE1 3.34Å; N172-K190 WeakPolarHBondContact OD1-CD 3.35Å; N172-K190 WeakPolarHBondContact OD1-CE 3.43Å; N172-K190 PolarHBondContact OD1-NZ 3.47Å
173K94.6Very high90.6Very high138 Ų13853.3 Ų53.360%0.628%0.279SS*.Hα-helixtrans-67.1-45.1178-173.8177.1172.5-1760111.9G171 I175 A176 E177G171-K173 PolarHBondContact O-N 3.08Å; K173-I175 PolarHBondContact O-N 2.94Å; K173-A176 WeakPolarHBondContact O-CB 3.36Å; K173-A176 PolarHBondContact O-N 3.02Å; K173-E177 WeakPolarHBondContact CE-OE1 3.45Å; K173-E177 WeakPolarHBondContact O-CB 3.44Å; K173-E177 WeakPolarHBondContact O-CG 3.43Å; K173-E177 PolarHBondContact O-N 2.75Å
174E92.5Very high90.9Very high97 Ų9761.1 Ų61.145%0.45331%0.312SS..Hα-helixtrans-64.4-41.1178.6-60.2172.513300111.4Y170 G171 K178Y170-E174 WeakPolarHBondContact CA-OE2 3.43Å; Y170-E174 HydrophobicContact CD1-CB 4.1Å; G171-E174 PolarHBondContact N-OE2 2.67Å; G171-E174 PolarHBondContact O-N 2.9Å; G171-E174 VanDerWaalsContact O-N 3.14Å; E174-K178 WeakPolarHBondContact O-CB 3.48Å; E174-K178 WeakPolarHBondContact O-CG 3.48Å; E174-K178 PolarHBondContact O-N 3.21Å
175I91.6Very high91Very high0 Ų063.4 Ų63.40%033%0.327CS..Hα-helixtrans-64.6-43.8174.9-63.1174.7000110.6I162 L165 I166 G171 K173 E177 K178 L179 V186I162-I175 HydrophobicContact CG1-CG2 4.38Å; L165-I175 HydrophobicContact CB-CD1 3.96Å; L165-I175 HydrophobicContact CB-CG1 3.82Å; L165-I175 HydrophobicContact CD1-CG1 4.33Å; L165-I175 HydrophobicContact CD1-CG2 3.99Å; I166-I175 HydrophobicContact CG1-CD1 4.18Å; G171-I175 WeakPolarHBondContact O-CG1 3.4Å; G171-I175 PolarHBondContact O-N 2.94Å; K173-I175 PolarHBondContact O-N 2.94Å; I175-E177 VanDerWaalsContact C-N 3.34Å; I175-E177 PolarHBondContact O-N 3.41Å; I175-K178 PolarHBondContact O-N 3.04Å; I175-L179 HydrophobicContact CG2-CD1 3.88Å; I175-L179 HydrophobicContact CG2-CG 4.42Å; I175-L179 WeakPolarHBondContact O-CB 3.37Å; I175-L179 PolarHBondContact O-N 3.4Å; I175-V186 HydrophobicContact CB-CG1 3.93Å; I175-V186 HydrophobicContact CB-CG2 4.25Å; I175-V186 HydrophobicContact CD1-CG1 4.27Å; I175-V186 HydrophobicContact CG2-CB 4.41Å; I175-V186 HydrophobicContact CG2-CG1 3.67Å; I175-V186 HydrophobicContact CG2-CG2 3.78Å
176A91.6Very high91.2Very high6 Ų662.6 Ų62.65%0.0532%0.322CS..Hα-helixtrans-61.8-43.2179.600000111.7N172 K173 F180 V181 V183 V186N172-A176 WeakPolarHBondContact O-CB 3.44Å; N172-A176 PolarHBondContact O-N 3.18Å; K173-A176 WeakPolarHBondContact O-CB 3.36Å; K173-A176 PolarHBondContact O-N 3.02Å; A176-F180 WeakPolarHBondContact O-CA 3.48Å; A176-F180 PolarHBondContact O-N 3.16Å; A176-V181 WeakPolarHBondContact CB-O 3.42Å; A176-V181 PolarHBondContact O-N 3.03Å; A176-V183 HydrophobicContact CB-CG2 3.96Å; A176-V186 HydrophobicContact CB-CG2 3.8Å
177E89.8Confident91.4Very high116 Ų11666.5 Ų66.554%0.54234%0.34SS..Hα-helixtrans-63.7-46.6174.8-73.6170.8-175.400111.6K173 I175 L179 F180K173-E177 WeakPolarHBondContact CE-OE1 3.45Å; K173-E177 WeakPolarHBondContact O-CB 3.44Å; K173-E177 WeakPolarHBondContact O-CG 3.43Å; K173-E177 PolarHBondContact O-N 2.75Å; I175-E177 VanDerWaalsContact C-N 3.34Å; I175-E177 PolarHBondContact O-N 3.41Å; E177-L179 VanDerWaalsContact C-N 3.35Å; E177-L179 PolarHBondContact O-N 2.99Å; E177-F180 PolarHBondContact O-N 3.34Å
178K84.5Confident91.5Very high60 Ų6067.9 Ų67.926%0.26135%0.352SS..Hα-helixtrans-61.4-39.7178.2-79.3179.8178.3-65.60113.5P58 L165 Y170 E174 I175P58-K178 VanDerWaalsContact CB-NZ 3.28Å; L165-K178 HydrophobicContact CD2-CD 4.27Å; Y170-K178 HydrophobicContact CE1-CD 4.37Å; E174-K178 WeakPolarHBondContact O-CB 3.48Å; E174-K178 WeakPolarHBondContact O-CG 3.48Å; E174-K178 PolarHBondContact O-N 3.21Å; I175-K178 PolarHBondContact O-N 3.04Å
179L85.6Confident91.8Very high23 Ų2365.6 Ų65.612%0.1234%0.343CS..THydrogen-bonded Turntrans-97.34.1-174.5-62-176.8000113.6E161 I162 L165 I175 E177 V181E161-L179 HydrophobicContact CB-CD1 4.42Å; E161-L179 HydrophobicContact CB-CD2 4.45Å; I162-L179 HydrophobicContact CD1-CD1 4.13Å; I162-L179 HydrophobicContact CG1-CD1 3.36Å; L165-L179 HydrophobicContact CD1-CD1 4.1Å; L165-L179 HydrophobicContact CD1-CD2 4.32Å; L165-L179 HydrophobicContact CD1-CG 4.15Å; I175-L179 HydrophobicContact CG2-CD1 3.88Å; I175-L179 HydrophobicContact CG2-CG 4.42Å; I175-L179 WeakPolarHBondContact O-CB 3.37Å; I175-L179 PolarHBondContact O-N 3.4Å; E177-L179 VanDerWaalsContact C-N 3.35Å; E177-L179 PolarHBondContact O-N 2.99Å; L179-V181 VanDerWaalsContact C-N 3.31Å; L179-V181 HydrophobicContact CB-CG2 4.11Å; L179-V181 PolarHBondContact O-N 3.39Å
180F85.8Confident92Very high193 Ų19365.5 Ų65.585%0.84633%0.33SS*.THydrogen-bonded Turntrans52.744.3-178.3-56.5-84.2000113.5A176 E177A176-F180 WeakPolarHBondContact O-CA 3.48Å; A176-F180 PolarHBondContact O-N 3.16Å; E177-F180 PolarHBondContact O-N 3.34Å
181V90.5Very high92.1Very high41 Ų4166 Ų6625%0.24834%0.341CS..SBendtrans-127.1171.7178.2-65.60000111.1A176 L179 T185 V186A176-V181 WeakPolarHBondContact CB-O 3.42Å; A176-V181 PolarHBondContact O-N 3.03Å; L179-V181 VanDerWaalsContact C-N 3.31Å; L179-V181 HydrophobicContact CB-CG2 4.11Å; L179-V181 PolarHBondContact O-N 3.39Å; V181-T185 HydrophobicContact CB-CG2 4.04Å; V181-T185 HydrophobicContact CG1-CG2 4.31Å; V181-T185 HydrophobicContact CG2-CG2 4.31Å; V181-V186 HydrophobicContact CG2-CG2 3.76Å
182S93.4Very high92.2Very high62 Ų6269 Ų6943%0.43435%0.347SS..  trans-74.5151.8174.380.90000111.8K184 T185 V186S182-K184 PolarHBondContact O-N 3.03Å; S182-K184 PolarHBondContact OG-N 2.85Å; S182-T185 WeakPolarHBondContact O-CA 3.47Å; S182-T185 VanDerWaalsContact O-CB 3.26Å; S182-T185 WeakPolarHBondContact O-CB 3.45Å; S182-T185 PolarHBondContact O-N 3.43Å; S182-T185 PolarHBondContact OG-N 3.15Å; S182-T185 PolarHBondContact OG-OG1 3Å; S182-V186 PolarHBondContact O-N 3.33Å; S182-V186 VanDerWaalsContact O-N 3.15Å
183V95.6Very high92.2Very high60 Ų6066.9 Ų66.936%0.36434%0.335SS..Hα-helixtrans-53.7-39.4171.5179.50000111.1N172 A176 T185 V186 E187N172-V183 HydrophobicContact CB-CG1 3.79Å; A176-V183 HydrophobicContact CB-CG2 3.96Å; V183-T185 VanDerWaalsContact C-N 3.31Å; V183-T185 PolarHBondContact O-N 3.16Å; V183-V186 WeakPolarHBondContact O-CB 3.24Å; V183-V186 PolarHBondContact O-N 2.81Å; V183-V186 VanDerWaalsContact O-N 3.16Å; V183-E187 WeakPolarHBondContact O-CG 3.4Å; V183-E187 PolarHBondContact O-N 2.93Å
184K95.7Very high92.2Very high164 Ų16462.1 Ų62.171%0.71332%0.316SS*.Hα-helixtrans-61.7-37.2176.2-172.2178.9-177.9-179.60112.5S182 E187 A188S182-K184 PolarHBondContact O-N 3.03Å; S182-K184 PolarHBondContact OG-N 2.85Å; K184-E187 PolarHBondContact O-N 2.86Å; K184-A188 PolarHBondContact O-N 3.31Å
185T91.8Very high92.2Very high52 Ų5262.5 Ų62.532%0.31933%0.325SS..Hα-helixtrans-64.8-42.5175-55.30000110.7V181 S182 V183 A188 H189V181-T185 HydrophobicContact CB-CG2 4.04Å; V181-T185 HydrophobicContact CG1-CG2 4.31Å; V181-T185 HydrophobicContact CG2-CG2 4.31Å; S182-T185 WeakPolarHBondContact O-CA 3.47Å; S182-T185 VanDerWaalsContact O-CB 3.26Å; S182-T185 WeakPolarHBondContact O-CB 3.45Å; S182-T185 PolarHBondContact O-N 3.43Å; S182-T185 PolarHBondContact OG-N 3.15Å; S182-T185 PolarHBondContact OG-OG1 3Å; V183-T185 VanDerWaalsContact C-N 3.31Å; V183-T185 PolarHBondContact O-N 3.16Å; T185-A188 PolarHBondContact O-N 3.4Å; T185-H189 PolarHBondContact O-CD2 2.73Å; T185-H189 PolarHBondContact O-N 2.87Å
186V93.9Very high92.2Very high0 Ų067 Ų670%035%0.345CS..Hα-helixtrans-62.5-43.2175.7178.10000111.4N172 I175 A176 V181 S182 V183 H189 K190N172-V186 HydrophobicContact CB-CG1 4.4Å; I175-V186 HydrophobicContact CB-CG1 3.93Å; I175-V186 HydrophobicContact CB-CG2 4.25Å; I175-V186 HydrophobicContact CD1-CG1 4.27Å; I175-V186 HydrophobicContact CG2-CB 4.41Å; I175-V186 HydrophobicContact CG2-CG1 3.67Å; I175-V186 HydrophobicContact CG2-CG2 3.78Å; A176-V186 HydrophobicContact CB-CG2 3.8Å; V181-V186 HydrophobicContact CG2-CG2 3.76Å; S182-V186 PolarHBondContact O-N 3.33Å; S182-V186 VanDerWaalsContact O-N 3.15Å; V183-V186 WeakPolarHBondContact O-CB 3.24Å; V183-V186 PolarHBondContact O-N 2.81Å; V183-V186 VanDerWaalsContact O-N 3.16Å; V186-H189 PolarHBondContact O-N 2.96Å; V186-K190 HydrophobicContact CG1-CD 4.34Å; V186-K190 HydrophobicContact CG1-CG 4.49Å; V186-K190 WeakPolarHBondContact O-CB 3.31Å; V186-K190 WeakPolarHBondContact O-CG 3.38Å; V186-K190 PolarHBondContact O-N 3.43Å
187E94.6Very high92.2Very high89 Ų8967.9 Ų67.942%0.41635%0.348SS..Hα-helixtrans-63.1-40.7177.7-73.2171.917000112.9N172 V183 K184 K190 T191N172-E187 WeakPolarHBondContact ND2-CG 3.21Å; N172-E187 PolarHBondContact ND2-OE1 3.34Å; V183-E187 WeakPolarHBondContact O-CG 3.4Å; V183-E187 PolarHBondContact O-N 2.93Å; K184-E187 PolarHBondContact O-N 2.86Å; E187-K190 PolarHBondContact O-N 3.46Å; E187-T191 PolarHBondContact O-N 3.01Å; E187-T191 PolarHBondContact O-OG1 3.31Å
188A94.7Very high92.2Very high43 Ų4365.1 Ų65.136%0.35535%0.351SS..Hα-helixtrans-62.2-47.9174.300000111.2K184 T185 K190 T191 H192K184-A188 PolarHBondContact O-N 3.31Å; T185-A188 PolarHBondContact O-N 3.4Å; A188-K190 PolarHBondContact O-N 3.37Å; A188-T191 PolarHBondContact O-N 2.88Å; A188-H192 VanDerWaalsContact O-CG 3.29Å; A188-H192 PolarHBondContact O-N 3.48Å
189H94.3Very high92.6Very high38 Ų3863.6 Ų63.618%0.17635%0.345CS..Hα-helixtrans-63.5-40.5176.7-75.2-57.9000112.8R158 I162 T185 V186 T191 H192 I193R158-H189 WeakPolarHBondContact CG-NE2 3.19Å; I162-H189 HydrophobicContact CD1-CB 3.39Å; T185-H189 PolarHBondContact O-CD2 2.73Å; T185-H189 PolarHBondContact O-N 2.87Å; V186-H189 PolarHBondContact O-N 2.96Å; H189-T191 VanDerWaalsContact C-N 3.3Å; H189-T191 PolarHBondContact O-N 3.5Å; H189-H192 PolarHBondContact O-N 3.5Å; H189-I193 WeakPolarHBondContact O-CB 3.43Å; H189-I193 WeakPolarHBondContact O-CD1 3.41Å; H189-I193 VanDerWaalsContact O-CG1 3.22Å; H189-I193 WeakPolarHBondContact O-CG1 3.46Å; H189-I193 PolarHBondContact O-N 2.97Å
190K94.5Very high92.8Very high39 Ų3971.4 Ų71.417%0.1738%0.379CS..Hα-helixtrans-53.8-48.4172.5-84.6-176.7165.8-177.10111.4I166 N172 V186 E187 A188 H192 I193 M194I166-K190 HydrophobicContact CD1-CD 4.32Å; I166-K190 HydrophobicContact CD1-CG 3.56Å; I166-K190 HydrophobicContact CG1-CD 4.47Å; I166-K190 VanDerWaalsContact CG1-CE 3.45Å; I166-K190 HydrophobicContact CG1-CG 4.16Å; N172-K190 WeakPolarHBondContact OD1-CD 3.35Å; N172-K190 WeakPolarHBondContact OD1-CE 3.43Å; N172-K190 PolarHBondContact OD1-NZ 3.47Å; V186-K190 HydrophobicContact CG1-CD 4.34Å; V186-K190 HydrophobicContact CG1-CG 4.49Å; V186-K190 WeakPolarHBondContact O-CB 3.31Å; V186-K190 WeakPolarHBondContact O-CG 3.38Å; V186-K190 PolarHBondContact O-N 3.43Å; E187-K190 PolarHBondContact O-N 3.46Å; A188-K190 PolarHBondContact O-N 3.37Å; K190-H192 PolarHBondContact O-N 2.89Å; K190-I193 PolarHBondContact O-N 3.5Å; K190-M194 VanDerWaalsContact O-CG 3.27Å; K190-M194 WeakPolarHBondContact O-CG 3.32Å; K190-M194 PolarHBondContact O-N 3.24Å
191T93.2Very high93Very high87 Ų8764.1 Ų64.153%0.53435%0.352SS..Hα-helixtrans-64-41.2179.5-54.80000111.7E187 A188 H189 T195E187-T191 PolarHBondContact O-N 3.01Å; E187-T191 PolarHBondContact O-OG1 3.31Å; A188-T191 PolarHBondContact O-N 2.88Å; H189-T191 VanDerWaalsContact C-N 3.3Å; H189-T191 PolarHBondContact O-N 3.5Å; T191-T195 WeakPolarHBondContact O-CB 3.2Å; T191-T195 PolarHBondContact O-N 3.13Å; T191-T195 PolarHBondContact O-OG1 2.83Å
192H94.2Very high93Very high96 Ų9667.3 Ų67.344%0.44436%0.362SS..Hα-helixtrans-67.1-42.3176.8-64.9167.3000112.4E159 A188 H189 K190 T195 K196E159-H192 VanDerWaalsContact OE1-CB 3.23Å; E159-H192 WeakPolarHBondContact OE1-CB 3.25Å; A188-H192 VanDerWaalsContact O-CG 3.29Å; A188-H192 PolarHBondContact O-N 3.48Å; H189-H192 PolarHBondContact O-N 3.5Å; K190-H192 PolarHBondContact O-N 2.89Å; H192-T195 PolarHBondContact O-N 3.43Å; H192-K196 VanDerWaalsContact O-CB 3.25Å; H192-K196 WeakPolarHBondContact O-CB 3.24Å; H192-K196 VanDerWaalsContact O-CG 3.23Å; H192-K196 WeakPolarHBondContact O-CG 3.37Å; H192-K196 PolarHBondContact O-N 3.41Å
193I94.4Very high92.9Very high0 Ų068.9 Ų68.90%037%0.371CS..Hα-helixtrans-57.7-52.5175.7-70.2160.5000110.1L155 E159 I162 L163 I166 H189 K190 T195 K196 L197 L205L155-I193 HydrophobicContact CD2-CG1 4.25Å; L155-I193 HydrophobicContact CD2-CG2 4.46Å; E159-I193 HydrophobicContact CB-CD1 4.06Å; E159-I193 HydrophobicContact CB-CG1 3.66Å; E159-I193 HydrophobicContact CG-CD1 4.3Å; E159-I193 HydrophobicContact CG-CG1 3.79Å; I162-I193 HydrophobicContact CB-CD1 4.03Å; I162-I193 HydrophobicContact CG2-CD1 3.8Å; L163-I193 HydrophobicContact CB-CD1 4.48Å; L163-I193 HydrophobicContact CD1-CG2 4.14Å; I166-I193 HydrophobicContact CD1-CD1 4.02Å; H189-I193 WeakPolarHBondContact O-CB 3.43Å; H189-I193 WeakPolarHBondContact O-CD1 3.41Å; H189-I193 VanDerWaalsContact O-CG1 3.22Å; H189-I193 WeakPolarHBondContact O-CG1 3.46Å; H189-I193 PolarHBondContact O-N 2.97Å; K190-I193 PolarHBondContact O-N 3.5Å; I193-T195 VanDerWaalsContact C-N 3.33Å; I193-T195 PolarHBondContact O-N 2.84Å; I193-K196 PolarHBondContact O-N 2.98Å; I193-L197 HydrophobicContact CG2-CD1 3.81Å; I193-L197 HydrophobicContact CG2-CG 4.47Å; I193-L197 WeakPolarHBondContact O-CB 3.41Å; I193-L197 WeakPolarHBondContact O-CG 3.34Å; I193-L197 PolarHBondContact O-N 3.16Å; I193-L205 HydrophobicContact CG2-CD1 3.96Å
194M93.8Very high92.7Very high38 Ų3869.2 Ų69.219%0.18737%0.368CS..Hα-helixtrans-58.6-45.4180-67.1-62.9-73.400111.5K190 G198 L199 S201 L205K190-M194 VanDerWaalsContact O-CG 3.27Å; K190-M194 WeakPolarHBondContact O-CG 3.32Å; K190-M194 PolarHBondContact O-N 3.24Å; M194-G198 PolarHBondContact O-N 3.17Å; M194-L199 VanDerWaalsContact CE-C 3.49Å; M194-L199 HydrophobicContact CE-CB 3.64Å; M194-L199 VanDerWaalsContact CE-O 3.31Å; M194-L199 WeakPolarHBondContact CE-O 3.38Å; M194-L199 PolarHBondContact O-N 3.26Å; M194-L199 HydrophobicContact SD-CB 3.81Å; M194-L199 HydrophobicContact SD-CD1 4.3Å; M194-S201 VanDerWaalsContact CE-O 3.31Å; M194-S201 WeakPolarHBondContact CE-O 3.43Å; M194-L205 HydrophobicContact SD-CB 4.01Å; M194-L205 HydrophobicContact SD-CD1 3.6Å; M194-L205 HydrophobicContact SD-CG 4.43Å
195T92.1Very high92.6Very high105 Ų10561.5 Ų61.564%0.64434%0.335SS*.Hα-helixtrans-63.2-48.9178.1-57.40000112.2T191 H192 I193 L197 G198T191-T195 WeakPolarHBondContact O-CB 3.2Å; T191-T195 PolarHBondContact O-N 3.13Å; T191-T195 PolarHBondContact O-OG1 2.83Å; H192-T195 PolarHBondContact O-N 3.43Å; I193-T195 VanDerWaalsContact C-N 3.33Å; I193-T195 PolarHBondContact O-N 2.84Å; T195-L197 VanDerWaalsContact C-N 3.33Å; T195-L197 PolarHBondContact O-N 3.45Å; T195-G198 PolarHBondContact O-N 2.84Å
196K92.7Very high92.6Very high95 Ų9561 Ų6141%0.41333%0.332SS..Hα-helixtrans-66.2-34.7-177.1-75.8176.5174.1-179.70112.7I154 L155 E159 H192 I193I154-K196 HydrophobicContact CG2-CB 3.69Å; I154-K196 WeakPolarHBondContact CG2-O 3.3Å; L155-K196 HydrophobicContact CD2-CB 4.12Å; L155-K196 HydrophobicContact CD2-CD 4.16Å; E159-K196 IonicContact OE1-NZ 3.38Å; E159-K196 PolarHBondContact OE1-NZ 2.7Å; E159-K196 IonicContact OE2-NZ 3.59Å; E159-K196 PolarHBondContact OE2-NZ 3.41Å; H192-K196 VanDerWaalsContact O-CB 3.25Å; H192-K196 WeakPolarHBondContact O-CB 3.24Å; H192-K196 VanDerWaalsContact O-CG 3.23Å; H192-K196 WeakPolarHBondContact O-CG 3.37Å; H192-K196 PolarHBondContact O-N 3.41Å; I193-K196 PolarHBondContact O-N 2.98Å
197L91.5Very high92.3Very high25 Ų2567.2 Ų67.213%0.13136%0.361CS..Hα-helixtrans-88.2-5.3177.3-62.7-179.4000113.4I154 L155 L163 I193 T195 L199 Y208I154-L197 HydrophobicContact CB-CD2 4.43Å; I154-L197 HydrophobicContact CD1-CD2 4.09Å; I154-L197 HydrophobicContact CG2-CD2 4Å; L155-L197 HydrophobicContact CD1-CD1 4.25Å; L155-L197 HydrophobicContact CD1-CD2 4.44Å; L155-L197 HydrophobicContact CD2-CD2 4.21Å; L155-L197 HydrophobicContact CD2-CG 4.1Å; L155-L197 HydrophobicContact CG-CD2 4.28Å; L163-L197 HydrophobicContact CD1-CD1 3.77Å; I193-L197 HydrophobicContact CG2-CD1 3.81Å; I193-L197 HydrophobicContact CG2-CG 4.47Å; I193-L197 WeakPolarHBondContact O-CB 3.41Å; I193-L197 WeakPolarHBondContact O-CG 3.34Å; I193-L197 PolarHBondContact O-N 3.16Å; T195-L197 VanDerWaalsContact C-N 3.33Å; T195-L197 PolarHBondContact O-N 3.45Å; L197-L199 VanDerWaalsContact C-N 3.25Å; L197-L199 HydrophobicContact CB-CD1 3.69Å; L197-L199 HydrophobicContact CB-CG 3.64Å; L197-L199 HydrophobicContact CD1-CD1 3.71Å; L197-L199 HydrophobicContact CG-CD1 4.38Å; L197-L199 PolarHBondContact O-N 3.32Å; L197-Y208 HydrophobicContact CD1-CD1 3.81Å; L197-Y208 HydrophobicContact CD1-CE1 3.57Å; L197-Y208 HydrophobicContact CD1-CG 4.45Å; L197-Y208 HydrophobicContact CD2-CE1 4Å; L197-Y208 HydrophobicContact CD2-CE2 4.28Å; L197-Y208 WeakPolarHBondContact CD2-OH 3.27Å; L197-Y208 HydrophobicContact CG-CE1 4.41Å
198G89.6Confident92.1Very high58 Ų5864.3 Ų64.360%0.59835%0.346SS*.THydrogen-bonded Turntrans66.923.5-177.600000114.3M194 T195M194-G198 PolarHBondContact O-N 3.17Å; T195-G198 PolarHBondContact O-N 2.84Å
199L92.6Very high91.8Very high27 Ų2762.2 Ų62.214%0.14133%0.329CS..  trans-88.7142.4-177.3-54.5171.5000110.2M194 L197 E204 L205 Y208M194-L199 VanDerWaalsContact CE-C 3.49Å; M194-L199 HydrophobicContact CE-CB 3.64Å; M194-L199 VanDerWaalsContact CE-O 3.31Å; M194-L199 WeakPolarHBondContact CE-O 3.38Å; M194-L199 PolarHBondContact O-N 3.26Å; M194-L199 HydrophobicContact SD-CB 3.81Å; M194-L199 HydrophobicContact SD-CD1 4.3Å; L197-L199 VanDerWaalsContact C-N 3.25Å; L197-L199 HydrophobicContact CB-CD1 3.69Å; L197-L199 HydrophobicContact CB-CG 3.64Å; L197-L199 HydrophobicContact CD1-CD1 3.71Å; L197-L199 HydrophobicContact CG-CD1 4.38Å; L197-L199 PolarHBondContact O-N 3.32Å; L199-E204 HydrophobicContact CB-CB 4.41Å; L199-E204 HydrophobicContact CD2-CB 4.08Å; L199-L205 HydrophobicContact CD1-CB 3.92Å; L199-L205 HydrophobicContact CD1-CG 4.26Å; L199-Y208 HydrophobicContact CD1-CG 4.36Å
200K89.3Confident91.3Very high188 Ų18865.4 Ų65.482%0.81735%0.347SS*.  trans-105.3-22-176.9-62.7178.2-177.8174.80113.3E204K200-E204 PolarHBondContact N-OE2 2.89Å
201S91.6Very high90.7Very high40 Ų4071.3 Ų71.328%0.2837%0.372SS..SBendtrans-141.4156.8-172.871.90000113.1M194 E204 L205M194-S201 VanDerWaalsContact CE-O 3.31Å; M194-S201 WeakPolarHBondContact CE-O 3.43Å; S201-E204 WeakPolarHBondContact O-CB 3.37Å; S201-E204 PolarHBondContact O-N 3.39Å; S201-E204 WeakPolarHBondContact OG-CG 3.3Å; S201-E204 PolarHBondContact OG-N 2.83Å; S201-E204 PolarHBondContact OG-OE1 3.32Å; S201-L205 PolarHBondContact O-N 3.23Å; S201-L205 VanDerWaalsContact O-N 3.17Å
202K89.4Confident90.1Very high108 Ų10869.5 Ų69.547%0.4736%0.357SS..Hα-helixtrans-59.4-41175-177.7178178.6-177.10112.4E204 L205 V206K202-E204 VanDerWaalsContact C-N 3.33Å; K202-E204 PolarHBondContact O-N 3.49Å; K202-L205 WeakPolarHBondContact O-CB 3.46Å; K202-L205 PolarHBondContact O-N 3.05Å; K202-L205 VanDerWaalsContact O-N 3.13Å; K202-V206 WeakPolarHBondContact O-CG2 3.3Å; K202-V206 PolarHBondContact O-N 3.39Å
203P91.6Very high89.1Confident94 Ų9469.2 Ų69.261%0.6135%0.354SS*.Hα-helixtrans-56.2-42.9172.9-28.637.1000113.7L205 V206 E207P203-L205 VanDerWaalsContact C-N 3.29Å; P203-L205 PolarHBondContact O-N 3.04Å; P203-V206 PolarHBondContact O-N 3.48Å; P203-V206 VanDerWaalsContact O-N 3.16Å; P203-E207 PolarHBondContact O-N 3.21Å
204E92Very high88.4Confident68 Ų6869.5 Ų69.532%0.31836%0.356SS..Hα-helixtrans-62.1-36.6175.2-72.8162.7-132.100112.1L199 K200 S201 K202 E207 Y208L199-E204 HydrophobicContact CB-CB 4.41Å; L199-E204 HydrophobicContact CD2-CB 4.08Å; K200-E204 PolarHBondContact N-OE2 2.89Å; S201-E204 WeakPolarHBondContact O-CB 3.37Å; S201-E204 PolarHBondContact O-N 3.39Å; S201-E204 WeakPolarHBondContact OG-CG 3.3Å; S201-E204 PolarHBondContact OG-N 2.83Å; S201-E204 PolarHBondContact OG-OE1 3.32Å; K202-E204 VanDerWaalsContact C-N 3.33Å; K202-E204 PolarHBondContact O-N 3.49Å; E204-E207 PolarHBondContact O-N 2.68Å; E204-Y208 WeakPolarHBondContact O-CB 3.28Å; E204-Y208 PolarHBondContact O-N 2.92Å
205L92.5Very high87.3Confident2 Ų269.8 Ų69.81%0.0136%0.358CS..Hα-helixtrans-66-40.5173.8-175.6151.6000112.2I166 A167 I193 M194 L199 S201 K202 P203 Y208 A209I166-L205 HydrophobicContact CB-CD2 3.9Å; I166-L205 HydrophobicContact CD1-CD1 3.99Å; I166-L205 HydrophobicContact CG2-CD1 4.23Å; I166-L205 HydrophobicContact CG2-CD2 3.82Å; A167-L205 HydrophobicContact CB-CD2 3.82Å; I193-L205 HydrophobicContact CG2-CD1 3.96Å; M194-L205 HydrophobicContact SD-CB 4.01Å; M194-L205 HydrophobicContact SD-CD1 3.6Å; M194-L205 HydrophobicContact SD-CG 4.43Å; L199-L205 HydrophobicContact CD1-CB 3.92Å; L199-L205 HydrophobicContact CD1-CG 4.26Å; S201-L205 PolarHBondContact O-N 3.23Å; S201-L205 VanDerWaalsContact O-N 3.17Å; K202-L205 WeakPolarHBondContact O-CB 3.46Å; K202-L205 PolarHBondContact O-N 3.05Å; K202-L205 VanDerWaalsContact O-N 3.13Å; P203-L205 VanDerWaalsContact C-N 3.29Å; P203-L205 PolarHBondContact O-N 3.04Å; L205-Y208 PolarHBondContact O-N 2.99Å; L205-A209 VanDerWaalsContact O-CB 3.27Å; L205-A209 WeakPolarHBondContact O-CB 3.45Å; L205-A209 PolarHBondContact O-N 3.39Å
206V91.4Very high86.1Confident41 Ų4168.9 Ų68.925%0.24835%0.347CS..Hα-helixtrans-65.4-45.1176.4175.40000110.4A167 K202 P203 Y208 A209 L210A167-V206 HydrophobicContact CB-CG2 4.41Å; K202-V206 WeakPolarHBondContact O-CG2 3.3Å; K202-V206 PolarHBondContact O-N 3.39Å; P203-V206 PolarHBondContact O-N 3.48Å; P203-V206 VanDerWaalsContact O-N 3.16Å; V206-Y208 PolarHBondContact O-N 3.44Å; V206-A209 PolarHBondContact O-N 2.95Å; V206-L210 HydrophobicContact CG1-CD1 3.99Å; V206-L210 WeakPolarHBondContact O-CB 3.22Å; V206-L210 WeakPolarHBondContact O-CG 3.48Å; V206-L210 PolarHBondContact O-N 3.43Å
207E89.4Confident84.5Confident131 Ų13165.4 Ų65.461%0.61233%0.332SS*.Hα-helixtrans-61.4-43.8175.7-173.9-177.7171.200111.4P203 E204 L210 K211P203-E207 PolarHBondContact O-N 3.21Å; E204-E207 PolarHBondContact O-N 2.68Å; E207-L210 PolarHBondContact O-N 3.25Å; E207-K211 VanDerWaalsContact O-CB 3.25Å; E207-K211 WeakPolarHBondContact O-CB 3.22Å; E207-K211 PolarHBondContact O-N 2.91Å
208Y88.8Confident84.2Confident27 Ų2767.5 Ų67.511%0.10634%0.342CS..Hα-helixtrans-60.9-47.3175.1179.7-87.6000111.4T149 P151 L163 L197 L199 E204 L205 V206 L210 K211 K212 L214T149-Y208 PolarHBondContact O-OH 3.4Å; P151-Y208 HydrophobicContact CB-CE1 4.25Å; P151-Y208 WeakPolarHBondContact CB-OH 3.35Å; P151-Y208 WeakPolarHBondContact CD-OH 3.35Å; L163-Y208 HydrophobicContact CD1-CD1 4.32Å; L163-Y208 HydrophobicContact CD1-CE1 4.23Å; L197-Y208 HydrophobicContact CD1-CD1 3.81Å; L197-Y208 HydrophobicContact CD1-CE1 3.57Å; L197-Y208 HydrophobicContact CD1-CG 4.45Å; L197-Y208 HydrophobicContact CD2-CE1 4Å; L197-Y208 HydrophobicContact CD2-CE2 4.28Å; L197-Y208 WeakPolarHBondContact CD2-OH 3.27Å; L197-Y208 HydrophobicContact CG-CE1 4.41Å; L199-Y208 HydrophobicContact CD1-CG 4.36Å; E204-Y208 WeakPolarHBondContact O-CB 3.28Å; E204-Y208 PolarHBondContact O-N 2.92Å; L205-Y208 PolarHBondContact O-N 2.99Å; V206-Y208 PolarHBondContact O-N 3.44Å; Y208-L210 PolarHBondContact O-N 3.34Å; Y208-K211 PolarHBondContact O-N 2.93Å; Y208-K212 HydrophobicContact CD1-CG 4.4Å; Y208-K212 HydrophobicContact CD2-CG 4.48Å; Y208-K212 HydrophobicContact CE1-CG 4.01Å; Y208-K212 HydrophobicContact CE2-CG 4.1Å; Y208-K212 WeakPolarHBondContact O-CB 3.27Å; Y208-K212 WeakPolarHBondContact O-CG 3.35Å; Y208-K212 PolarHBondContact O-N 3.37Å; Y208-L214 HydrophobicContact CD1-CD1 4.35Å; Y208-L214 HydrophobicContact CE1-CD1 3.91Å
209A88.1Confident83.9Confident0 Ų067.9 Ų67.90%033%0.328CS..Hα-helixtrans-61-43.8178.100000111.5L163 A167 L205 V206 K212 K213 L214 L215L163-A209 HydrophobicContact CD2-CB 3.65Å; A167-A209 HydrophobicContact CB-CB 3.55Å; L205-A209 VanDerWaalsContact O-CB 3.27Å; L205-A209 WeakPolarHBondContact O-CB 3.45Å; L205-A209 PolarHBondContact O-N 3.39Å; V206-A209 PolarHBondContact O-N 2.95Å; A209-K212 CarbonylContact O-C 3.51Å; A209-K212 PolarHBondContact O-N 3.1Å; A209-K213 CarbonylContact O-C 3.42Å; A209-K213 WeakPolarHBondContact O-CA 3.23Å; A209-K213 PolarHBondContact O-N 2.83Å; A209-L214 HydrophobicContact CB-CB 4.35Å; A209-L214 PolarHBondContact O-N 3.17Å; A209-L215 HydrophobicContact CB-CD2 3.98Å; A209-L215 HydrophobicContact CB-CG 4.36Å
210L84Confident83.4Confident104 Ų10470.2 Ų70.255%0.54534%0.339SS..Hα-helixtrans-62-48.6174.9-78.5166000112V206 E207 Y208 K212 K213 L215V206-L210 HydrophobicContact CG1-CD1 3.99Å; V206-L210 WeakPolarHBondContact O-CB 3.22Å; V206-L210 WeakPolarHBondContact O-CG 3.48Å; V206-L210 PolarHBondContact O-N 3.43Å; E207-L210 PolarHBondContact O-N 3.25Å; Y208-L210 PolarHBondContact O-N 3.34Å; L210-K212 PolarHBondContact O-N 3.44Å; L210-K213 PolarHBondContact O-N 3.45Å; L210-K213 VanDerWaalsContact O-N 3.07Å; L210-L215 HydrophobicContact CD2-CD1 3.34Å; L210-L215 HydrophobicContact CD2-CG 4.37Å; L210-L215 HydrophobicContact CG-CD1 3.81Å
211K82.7Confident83.1Confident163 Ų16363.3 Ų63.371%0.70931%0.31SS*.Hα-helixtrans-63.7-30.4-178.7-176.4176.5-180178.10112.8E207 Y208E207-K211 VanDerWaalsContact O-CB 3.25Å; E207-K211 WeakPolarHBondContact O-CB 3.22Å; E207-K211 PolarHBondContact O-N 2.91Å; Y208-K211 PolarHBondContact O-N 2.93Å
212K80.6Confident82.5Confident50 Ų5064.8 Ų64.822%0.21731%0.312CS..THydrogen-bonded Turntrans-99.410177.2-62.6-64.8-172.8171.80112.9Y89 T149 Y208 A209 L210 L214Y89-K212 PolarHBondContact OH-O 3.22Å; T149-K212 VanDerWaalsContact O-CE 3.24Å; T149-K212 WeakPolarHBondContact O-CE 3.46Å; T149-K212 PolarHBondContact O-NZ 3Å; T149-K212 PolarHBondContact OG1-NZ 3.34Å; Y208-K212 HydrophobicContact CD1-CG 4.4Å; Y208-K212 HydrophobicContact CD2-CG 4.48Å; Y208-K212 HydrophobicContact CE1-CG 4.01Å; Y208-K212 HydrophobicContact CE2-CG 4.1Å; Y208-K212 WeakPolarHBondContact O-CB 3.27Å; Y208-K212 WeakPolarHBondContact O-CG 3.35Å; Y208-K212 PolarHBondContact O-N 3.37Å; A209-K212 CarbonylContact O-C 3.51Å; A209-K212 PolarHBondContact O-N 3.1Å; L210-K212 PolarHBondContact O-N 3.44Å; K212-L214 HydrophobicContact CB-CD1 3.98Å; K212-L214 HydrophobicContact CB-CG 3.84Å; K212-L214 PolarHBondContact O-N 2.8Å
213K74Confident82.1Confident89 Ų8961.9 Ų61.939%0.38730%0.302SS..THydrogen-bonded Turntrans53.317.4-176.7-63.2-175.2-178.7157.50116.5E88 Y89 A209 L210 L215E88-K213 HydrophobicContact CG-CD 4.39Å; E88-K213 WeakPolarHBondContact OE1-CD 3.49Å; E88-K213 WeakPolarHBondContact OE1-CE 3.31Å; E88-K213 IonicContact OE1-NZ 2.68Å; E88-K213 PolarHBondContact OE1-NZ 3.35Å; Y89-K213 HydrophobicContact CE2-CB 4.36Å; Y89-K213 WeakPolarHBondContact OH-CA 3.23Å; Y89-K213 WeakPolarHBondContact OH-CB 3.34Å; Y89-K213 PolarHBondContact OH-O 3.39Å; A209-K213 CarbonylContact O-C 3.42Å; A209-K213 WeakPolarHBondContact O-CA 3.23Å; A209-K213 PolarHBondContact O-N 2.83Å; L210-K213 PolarHBondContact O-N 3.45Å; L210-K213 VanDerWaalsContact O-N 3.07Å; K213-L215 PolarHBondContact O-N 3.02Å
214L77.9Confident81.4Confident6 Ų659.6 Ų59.63%0.03128%0.28CS..THydrogen-bonded Turntrans-70.510.6-172.9-61.2171.1000114.2Y89 P151 F152 L163 P164 Y208 A209 K212Y89-L214 HydrophobicContact CE1-CD2 3.94Å; Y89-L214 WeakPolarHBondContact OH-CA 3.31Å; Y89-L214 PolarHBondContact OH-N 2.96Å; P151-L214 HydrophobicContact CB-CD1 3.86Å; P151-L214 HydrophobicContact CG-CD1 3.86Å; P151-L214 HydrophobicContact CG-CD2 3.98Å; P151-L214 HydrophobicContact CG-CG 4.36Å; F152-L214 HydrophobicContact CE2-CD2 4.39Å; F152-L214 HydrophobicContact CZ-CD2 4.14Å; L163-L214 HydrophobicContact CD1-CD1 3.8Å; L163-L214 HydrophobicContact CD2-CB 3.66Å; L163-L214 HydrophobicContact CD2-CD1 3.51Å; L163-L214 HydrophobicContact CD2-CG 4.26Å; L163-L214 HydrophobicContact CG-CD1 4.3Å; P164-L214 WeakPolarHBondContact CB-O 3.38Å; Y208-L214 HydrophobicContact CD1-CD1 4.35Å; Y208-L214 HydrophobicContact CE1-CD1 3.91Å; A209-L214 HydrophobicContact CB-CB 4.35Å; A209-L214 PolarHBondContact O-N 3.17Å; K212-L214 HydrophobicContact CB-CD1 3.98Å; K212-L214 HydrophobicContact CB-CG 3.84Å; K212-L214 PolarHBondContact O-N 2.8Å
215L72.1Confident80.6Confident45 Ų4558.9 Ų58.924%0.23628%0.277CS..THydrogen-bonded Turntrans-85.3-9.4178.5-69.2-171.5000113A167 K168 A209 L210 K213 F217A167-L215 HydrophobicContact CB-CD2 3.28Å; K168-L215 WeakPolarHBondContact CE-O 3.36Å; K168-L215 HydrophobicContact CG-CD2 4.4Å; K168-L215 PolarHBondContact NZ-O 2.77Å; A209-L215 HydrophobicContact CB-CD2 3.98Å; A209-L215 HydrophobicContact CB-CG 4.36Å; L210-L215 HydrophobicContact CD2-CD1 3.34Å; L210-L215 HydrophobicContact CD2-CG 4.37Å; L210-L215 HydrophobicContact CG-CD1 3.81Å; K213-L215 PolarHBondContact O-N 3.02Å; L215-F217 VanDerWaalsContact C-N 3.32Å; L215-F217 PolarHBondContact O-N 3.36Å
216E66Low79.6Confident85 Ų8563.7 Ų63.740%0.39730%0.299SS..  trans-84.8-6-172.6-58.7-155.2169.300114S55S55-E216 WeakPolarHBondContact CB-O 3.18Å; S55-E216 PolarHBondContact OG-O 3.5Å
217F59.9Low78.5Confident23 Ų2365.7 Ų65.710%0.10130%0.304CS..  trans-100.60179-48.8-67.5000114L54 S61 L63 Y89 P164 K168 L215L54-F217 HydrophobicContact CB-CE1 3.86Å; S61-F217 WeakPolarHBondContact OG-CD1 3.39Å; L63-F217 HydrophobicContact CD2-CE2 4.35Å; L63-F217 HydrophobicContact CD2-CZ 4.31Å; Y89-F217 HydrophobicContact CD1-CE2 4.17Å; Y89-F217 HydrophobicContact CD1-CZ 4.23Å; Y89-F217 AromaticContact CD2-CE2 3.95Å; Y89-F217 HydrophobicContact CD2-CE2 3.95Å; Y89-F217 AromaticContact CD2-CZ 3.52Å; Y89-F217 HydrophobicContact CD2-CZ 3.52Å; Y89-F217 AromaticContact CE1-CE2 3.88Å; Y89-F217 HydrophobicContact CE1-CE2 3.88Å; Y89-F217 HydrophobicContact CE1-CZ 4.34Å; Y89-F217 AromaticContact CE2-CE2 3.59Å; Y89-F217 HydrophobicContact CE2-CE2 3.59Å; Y89-F217 AromaticContact CE2-CZ 3.61Å; Y89-F217 HydrophobicContact CE2-CZ 3.61Å; Y89-F217 HydrophobicContact CG-CE2 4.21Å; Y89-F217 AromaticContact CG-CZ 3.83Å; Y89-F217 HydrophobicContact CG-CZ 3.83Å; Y89-F217 AromaticContact CZ-CE2 3.57Å; P164-F217 WeakPolarHBondContact CB-O 3.25Å; P164-F217 HydrophobicContact CG-CB 4.16Å; K168-F217 PolarHBondContact NZ-O 2.89Å; L215-F217 VanDerWaalsContact C-N 3.32Å; L215-F217 PolarHBondContact O-N 3.36Å

Retrieved 217 of 217 residues in 233.6 ms (Link to these results)

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