A0A3B3UP17_9TELE Loading...

Cytosolic arginine sensor for mTORC1 subunit 2

AlphaFold DB , UniProt , Accession A0A3B3UP17, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 328 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
1M84.2Confident93.9Very high120 Ų12034.2 Ų34.259%0.59117%0.17SC*.  0162.90-65.5177.6-155.200107.8F143 T144M1-F143 HydrophobicContact CB-CD1 3.66Å; M1-F143 HydrophobicContact CB-CE1 3.48Å; M1-F143 VanDerWaalsContact CB-CE1 3.48Å; M1-F143 HydrophobicContact CB-CZ 4.48Å; M1-F143 HydrophobicContact CG-CE1 4.37Å; M1-F143 HydrophobicContact SD-CE1 4.06Å; M1-F143 HydrophobicContact SD-CZ 4.37Å; M1-T144 PolarHBondContact O-N 3.35Å; M1-T144 VanDerWaalsContact O-N 3.15Å
2E90.6Very high94.3Very high69 Ų6931.3 Ų31.332%0.32216%0.156SC..EExtended strand (participates in β ladder)trans-108.4139.1177.6-56.6-174168.100109.7H4 V82 T144 F146E2-H4 IonicContact OE2-CE1 3.92Å; E2-H4 IonicContact OE2-NE2 3.42Å; E2-H4 PolarHBondContact OE2-NE2 2.82Å; E2-V82 HydrophobicContact CB-CB 4.44Å; E2-V82 PolarHBondContact N-O 2.68Å; E2-V82 PolarHBondContact O-N 2.78Å; E2-T144 WeakPolarHBondContact CA-O 3.48Å; E2-F146 HydrophobicContact CB-CD2 4.06Å; E2-F146 HydrophobicContact CB-CE2 4.04Å; E2-F146 HydrophobicContact CG-CD2 4.29Å; E2-F146 HydrophobicContact CG-CE2 3.76Å
3L92.9Very high94.6Very high2 Ų228.9 Ų28.91%0.0114%0.144CC..EExtended strand (participates in β ladder)trans-113.7123.1169.5-174.779.9000108L79 V81 L139 F143 T144 L145 F146L3-L79 HydrophobicContact CD1-CB 4.22Å; L3-V81 HydrophobicContact CD1-CG2 3.58Å; L3-L139 HydrophobicContact CD2-CB 4.25Å; L3-L139 HydrophobicContact CD2-CD1 3.49Å; L3-L139 VanDerWaalsContact CD2-CD1 3.49Å; L3-F143 HydrophobicContact CB-CB 3.89Å; L3-F143 HydrophobicContact CB-CD1 4.03Å; L3-F143 HydrophobicContact CB-CG 4.08Å; L3-T144 PolarHBondContact N-O 2.69Å; L3-L145 HydrophobicContact CB-CD2 3.84Å; L3-L145 HydrophobicContact CD2-CD2 3.75Å; L3-L145 HydrophobicContact CG-CD2 4.41Å; L3-F146 PolarHBondContact O-N 3.5Å
4H94.3Very high94.9Very high21 Ų2127.1 Ų27.110%0.09714%0.136CC..EExtended strand (participates in β ladder)trans-107118.9-179.7-70.5-113.4000109.4E2 L6 L79 N80 F146E2-H4 IonicContact OE2-CE1 3.92Å; E2-H4 IonicContact OE2-NE2 3.42Å; E2-H4 PolarHBondContact OE2-NE2 2.82Å; H4-L6 HydrophobicContact CB-CD2 4.28Å; H4-L79 WeakPolarHBondContact O-CA 3.33Å; H4-N80 PolarHBondContact N-O 2.78Å; H4-N80 PolarHBondContact O-N 3.2Å; H4-F146 AromaticContact NE2-CD2 3.92Å
5I95.9Very high95.1Very high4 Ų425.3 Ų25.32%0.02113%0.127CC..EExtended strand (participates in β ladder)trans-83.3111.1167.8-56.5155.7000106.7L79 L132 M136 F146 R147 V148 A156I5-L79 HydrophobicContact CB-CD2 4.23Å; I5-L79 HydrophobicContact CG1-CD2 3.71Å; I5-L79 HydrophobicContact CG2-CD2 4.25Å; I5-L132 HydrophobicContact CD1-CD1 3.97Å; I5-L132 HydrophobicContact CG1-CD1 4.31Å; I5-L132 HydrophobicContact CG2-CD1 4.4Å; I5-M136 HydrophobicContact CD1-CG 4.23Å; I5-M136 HydrophobicContact CD1-SD 4.18Å; I5-F146 PolarHBondContact N-O 3.24Å; I5-R147 HydrophobicContact CB-CB 4.48Å; I5-R147 HydrophobicContact CB-CG 4.3Å; I5-R147 HydrophobicContact CG2-CG 4.46Å; I5-R147 CarbonylContact O-C 3.58Å; I5-R147 WeakPolarHBondContact O-CA 3.41Å; I5-V148 PolarHBondContact O-N 2.7Å; I5-A156 HydrophobicContact CD1-CB 4.3Å
6L95.2Very high95.3Very high18 Ų1829.1 Ų29.19%0.09414%0.144CC..EExtended strand (participates in β ladder)trans-74.4161.5-175.6-53.5-176.6000111.6H4 H8 A78 N80 F124 V148H4-L6 HydrophobicContact CB-CD2 4.28Å; L6-H8 PolarHBondContact O-N 3.35Å; L6-H8 VanDerWaalsContact O-N 3.15Å; L6-A78 HydrophobicContact CB-CB 4.32Å; L6-A78 WeakPolarHBondContact CB-O 3.43Å; L6-A78 HydrophobicContact CD1-CB 3.98Å; L6-A78 HydrophobicContact CG-CB 4.39Å; L6-A78 PolarHBondContact N-O 2.66Å; L6-N80 HydrophobicContact CD1-CB 4.35Å; L6-N80 HydrophobicContact CD2-CB 4.28Å; L6-N80 HydrophobicContact CG-CB 4.46Å; L6-F124 HydrophobicContact CD1-CD1 3.76Å; L6-F124 HydrophobicContact CD1-CE1 3.55Å; L6-V148 HydrophobicContact CD2-CG2 4.17Å
7E92.9Very high95.3Very high58 Ų5831 Ų3127%0.27115%0.151SC..EExtended strand (participates in β ladder)trans-78.110.6-177.965.1175.4-163.600114.2K40 V148 N150 G151E7-K40 IonicContact OE1-NZ 2.66Å; E7-K40 PolarHBondContact OE1-NZ 3.34Å; E7-V148 HydrophobicContact CB-CB 4.4Å; E7-V148 HydrophobicContact CB-CG1 4.32Å; E7-V148 WeakPolarHBondContact CB-O 3.4Å; E7-V148 HydrophobicContact CG-CG1 4.21Å; E7-N150 VanDerWaalsContact OE2-CA 3.29Å; E7-N150 WeakPolarHBondContact OE2-CA 3.49Å; E7-N150 PolarHBondContact OE2-N 3.17Å; E7-G151 PolarHBondContact OE2-N 3.43Å
8H93.6Very high95.2Very high6 Ų637.6 Ų37.63%0.02818%0.182CC..EExtended strand (participates in β ladder)trans-93.9119.7-173.9-54.6-60.5000111.6L6 L10 F41 E235L6-H8 PolarHBondContact O-N 3.35Å; L6-H8 VanDerWaalsContact O-N 3.15Å; H8-L10 HydrophobicContact CB-CD1 4.49Å; H8-L10 HydrophobicContact CB-CD2 3.73Å; H8-L10 HydrophobicContact CB-CG 4Å; H8-F41 HydrophobicContact CB-CB 4.45Å; H8-F41 HydrophobicContact CB-CD2 4.28Å; H8-F41 AromaticContact CD2-CD2 3.76Å; H8-F41 AromaticContact CG-CD2 3.94Å; H8-E235 IonicContact CD2-OE1 2.69Å; H8-E235 IonicContact CE1-OE1 3.22Å; H8-E235 PolarHBondContact CE1-OE1 3.15Å; H8-E235 IonicContact NE2-OE1 2.71Å; H8-E235 PolarHBondContact NE2-OE1 3.42Å
9S96.2Very high95.2Very high37 Ų3735.6 Ų35.626%0.25917%0.172SC..EExtended strand (participates in β ladder)trans-93.9111.8164.8-63.90000108.5D56 E57S9-D56 VanDerWaalsContact O-CA 3.32Å; S9-D56 WeakPolarHBondContact O-CA 3.44Å; S9-E57 PolarHBondContact O-N 2.67Å; S9-E57 VanDerWaalsContact O-N 3.17Å
10L98.6Very high95.2Very high0 Ų034.5 Ų34.50%017%0.167CC..EExtended strand (participates in β ladder)trans-108.4142.7-166.1-58.6177.8000111.9H8 F41 I54 V55 D56 W76 A78 L126H8-L10 HydrophobicContact CB-CD1 4.49Å; H8-L10 HydrophobicContact CB-CD2 3.73Å; H8-L10 HydrophobicContact CB-CG 4Å; L10-F41 HydrophobicContact CD1-CD1 4.1Å; L10-F41 HydrophobicContact CD1-CD2 4.21Å; L10-F41 HydrophobicContact CD1-CE1 3.88Å; L10-F41 HydrophobicContact CD1-CE2 3.97Å; L10-F41 HydrophobicContact CD1-CG 4.27Å; L10-F41 HydrophobicContact CD1-CZ 3.8Å; L10-F41 HydrophobicContact CD2-CB 3.68Å; L10-F41 HydrophobicContact CD2-CD1 3.56Å; L10-F41 HydrophobicContact CD2-CD2 4.05Å; L10-F41 HydrophobicContact CD2-CE1 4.19Å; L10-F41 HydrophobicContact CD2-CG 3.49Å; L10-F41 VanDerWaalsContact CD2-CG 3.49Å; L10-I54 HydrophobicContact CB-CG2 4.39Å; L10-I54 HydrophobicContact CD1-CG2 4.1Å; L10-V55 CarbonylContact C-O 3.31Å; L10-V55 WeakPolarHBondContact CA-O 3.31Å; L10-D56 HydrophobicContact CD2-CB 4.04Å; L10-W76 HydrophobicContact CB-CB 4.17Å; L10-W76 PolarHBondContact N-O 3.49Å; L10-W76 PolarHBondContact O-N 3.21Å; L10-A78 HydrophobicContact CD1-CB 3.94Å; L10-L126 HydrophobicContact CD1-CD1 4.37Å; L10-L126 HydrophobicContact CD1-CD2 3.74Å; L10-L126 HydrophobicContact CD1-CG 3.93Å
11K98.6Very high95.1Very high41 Ų4140.4 Ų40.418%0.17819%0.194CC..EExtended strand (participates in β ladder)trans-106.4138.6165.7-62.5-56.5-173.4-177.20109.1I54 V55 F60 T75K11-I54 WeakPolarHBondContact O-CA 3.42Å; K11-V55 PolarHBondContact N-O 2.89Å; K11-V55 PolarHBondContact O-N 3.45Å; K11-F60 HydrophobicContact CB-CD2 3.86Å; K11-F60 HydrophobicContact CB-CE2 4.28Å; K11-F60 HydrophobicContact CB-CG 4.21Å; K11-F60 HydrophobicContact CG-CB 4.35Å; K11-F60 HydrophobicContact CG-CD1 4.28Å; K11-F60 HydrophobicContact CG-CD2 4.1Å; K11-F60 HydrophobicContact CG-CG 3.97Å; K11-T75 PolarHBondContact NZ-OG1 3.14Å
12V98.6Very high95.7Very high0 Ų038.8 Ų38.80%019%0.187CC..EExtended strand (participates in β ladder)trans-108.3122.3170.8-177.60000107.4T52 I53 I54 A72 W76 F115 L126 F276 F302V12-T52 HydrophobicContact CG1-CG2 4.39Å; V12-I53 CarbonylContact C-O 3.58Å; V12-I53 WeakPolarHBondContact CA-O 3.39Å; V12-I54 HydrophobicContact CG2-CG1 4.46Å; V12-A72 HydrophobicContact CB-CB 4.19Å; V12-A72 WeakPolarHBondContact O-CB 3.47Å; V12-A72 PolarHBondContact O-N 2.68Å; V12-W76 HydrophobicContact CG2-CG 4.19Å; V12-F115 HydrophobicContact CG1-CE1 4.39Å; V12-F115 HydrophobicContact CG1-CE2 4.33Å; V12-F115 HydrophobicContact CG1-CZ 4.02Å; V12-L126 HydrophobicContact CG2-CD2 4.42Å; V12-F276 HydrophobicContact CB-CE1 4.49Å; V12-F276 HydrophobicContact CG1-CE1 3.93Å; V12-F276 HydrophobicContact CG1-CZ 4.23Å; V12-F302 HydrophobicContact CG1-CD2 4.21Å
13A98.5Very high96Very high0 Ų035.5 Ų35.50%017%0.172CC..EExtended strand (participates in β ladder)trans-132.3159.3-178.800000111.3T52 I53 I69 S70 V71A13-T52 CarbonylContact O-C 3.55Å; A13-T52 WeakPolarHBondContact O-CA 3.4Å; A13-I53 HydrophobicContact CB-CB 4.45Å; A13-I53 PolarHBondContact N-O 2.8Å; A13-I53 PolarHBondContact O-N 3.1Å; A13-I69 HydrophobicContact CB-CG2 4.2Å; A13-S70 CarbonylContact C-O 3.56Å; A13-S70 WeakPolarHBondContact CA-O 3.41Å; A13-S70 WeakPolarHBondContact CB-O 3.43Å; A13-V71 HydrophobicContact CB-CG2 4.15Å
14S98.6Very high96.2Very high4 Ų436.7 Ų36.73%0.02818%0.179CC..EExtended strand (participates in β ladder)trans-125.1126.5172.1167.50000108.5D50 Y51 I69 S70 F302S14-D50 WeakPolarHBondContact OG-CB 3.48Å; S14-D50 PolarHBondContact OG-OD2 2.85Å; S14-Y51 WeakPolarHBondContact CA-O 3.13Å; S14-I69 CarbonylContact O-C 3.59Å; S14-I69 VanDerWaalsContact O-CA 3.31Å; S14-I69 WeakPolarHBondContact O-CA 3.5Å; S14-S70 PolarHBondContact N-O 3.38Å; S14-S70 PolarHBondContact O-N 2.87Å; S14-F302 VanDerWaalsContact CB-CD2 3.48Å
15I98.5Very high96.4Very high0 Ų042.4 Ų42.40%021%0.206CC..EExtended strand (participates in β ladder)trans-101121.3172.4-53.1167.4000106.6G19 C23 L27 D50 Y51 I53 L68 I69I15-G19 VanDerWaalsContact CG2-C 3.48Å; I15-C23 HydrophobicContact CD1-CB 3.91Å; I15-C23 HydrophobicContact CG2-CB 4.47Å; I15-L27 HydrophobicContact CD1-CD1 4.1Å; I15-L27 HydrophobicContact CD1-CD2 4.36Å; I15-D50 WeakPolarHBondContact O-CB 3.46Å; I15-Y51 PolarHBondContact N-O 3.49Å; I15-Y51 PolarHBondContact O-N 3.44Å; I15-I53 HydrophobicContact CD1-CD1 3.99Å; I15-I53 HydrophobicContact CD1-CG1 3.64Å; I15-I53 HydrophobicContact CG1-CG1 4.11Å; I15-L68 WeakPolarHBondContact CA-O 3.32Å; I15-I69 HydrophobicContact CG1-CG1 4.24Å; I15-I69 HydrophobicContact CG1-CG2 4.47Å
16E97.3Very high96.5Very high85 Ų8542.4 Ų42.440%0.39721%0.206SC..EExtended strand (participates in β ladder)trans-57.5151.7172.5-65.9-172.8-17700110.6E18 G19 I20 L68E16-E18 PolarHBondContact O-N 3.22Å; E16-E18 VanDerWaalsContact O-N 3.12Å; E16-G19 WeakPolarHBondContact O-CA 3.47Å; E16-G19 PolarHBondContact O-N 2.77Å; E16-I20 PolarHBondContact O-N 3.01Å; E16-L68 HydrophobicContact CB-CB 4.45Å; E16-L68 HydrophobicContact CB-CD2 4.49Å; E16-L68 PolarHBondContact N-O 2.64Å; E16-L68 WeakPolarHBondContact OE2-CD2 3.29Å
17K95.1Very high96.6Very high62 Ų6241.5 Ų41.527%0.2720%0.202SC..G310 helixtrans-53.3-38.6-178.8-71.5-60.3-167.4-179.90113.3G19 I20 E46 T47 P48 Y51K17-G19 VanDerWaalsContact C-N 3.29Å; K17-G19 PolarHBondContact O-N 2.81Å; K17-I20 WeakPolarHBondContact O-CG2 3.34Å; K17-I20 PolarHBondContact O-N 3.25Å; K17-E46 IonicContact NZ-OE1 2.7Å; K17-E46 PolarHBondContact NZ-OE1 2.69Å; K17-T47 WeakPolarHBondContact CE-O 3.41Å; K17-T47 PolarHBondContact NZ-O 2.85Å; K17-P48 WeakPolarHBondContact CE-O 3.41Å; K17-Y51 HydrophobicContact CD-CD2 4.02Å; K17-Y51 HydrophobicContact CD-CE2 3.51Å
18E93.9Very high96.9Very high150 Ų15040.9 Ų40.970%0.70120%0.2SC*.G310 helixtrans-71.8-23.9177.1-59.6179.9-179.100112.6E16 I20E16-E18 PolarHBondContact O-N 3.22Å; E16-E18 VanDerWaalsContact O-N 3.12Å; E18-I20 VanDerWaalsContact C-N 3.29Å; E18-I20 PolarHBondContact O-N 3.43Å
19G95.3Very high97.1Very high0 Ų042.7 Ų42.70%021%0.207CC..G310 helixtrans-78.7-8177.900000114.4I15 E16 K17 E21 I22 C23I15-G19 VanDerWaalsContact CG2-C 3.48Å; E16-G19 WeakPolarHBondContact O-CA 3.47Å; E16-G19 PolarHBondContact O-N 2.77Å; K17-G19 VanDerWaalsContact C-N 3.29Å; K17-G19 PolarHBondContact O-N 2.81Å; G19-E21 VanDerWaalsContact C-N 3.27Å; G19-E21 PolarHBondContact O-N 2.97Å; G19-I22 WeakPolarHBondContact O-CG1 3.47Å; G19-I22 PolarHBondContact O-N 3.21Å; G19-C23 PolarHBondContact O-N 2.94Å; G19-C23 PolarHBondContact O-SG 3.49Å
20I94.8Very high97.2Very high13 Ų1341.1 Ų41.17%0.06720%0.196CC..Hα-helixtrans-61.6-39-177.9-163.659.4000111.5E16 K17 E18 I22 C23 T24 L27 Y51 F208E16-I20 PolarHBondContact O-N 3.01Å; K17-I20 WeakPolarHBondContact O-CG2 3.34Å; K17-I20 PolarHBondContact O-N 3.25Å; E18-I20 VanDerWaalsContact C-N 3.29Å; E18-I20 PolarHBondContact O-N 3.43Å; I20-I22 PolarHBondContact O-N 3.36Å; I20-C23 CarbonylContact O-C 3.53Å; I20-C23 PolarHBondContact O-N 3.1Å; I20-T24 PolarHBondContact O-N 3.2Å; I20-T24 PolarHBondContact O-OG1 3.22Å; I20-L27 HydrophobicContact CD1-CD1 3.47Å; I20-L27 VanDerWaalsContact CD1-CD1 3.47Å; I20-Y51 HydrophobicContact CB-CD2 4.15Å; I20-Y51 HydrophobicContact CB-CE2 3.68Å; I20-Y51 HydrophobicContact CD1-CD1 3.98Å; I20-Y51 HydrophobicContact CD1-CD2 3.72Å; I20-Y51 HydrophobicContact CD1-CE1 4Å; I20-Y51 HydrophobicContact CD1-CE2 3.75Å; I20-Y51 HydrophobicContact CD1-CG 3.83Å; I20-Y51 HydrophobicContact CG1-CD2 4.14Å; I20-Y51 HydrophobicContact CG1-CE1 4.31Å; I20-Y51 HydrophobicContact CG1-CE2 3.67Å; I20-Y51 HydrophobicContact CG2-CE2 4.31Å; I20-F208 HydrophobicContact CD1-CD1 3.92Å; I20-F208 HydrophobicContact CD1-CE1 4.11Å; I20-F208 HydrophobicContact CG1-CD1 3.82Å; I20-F208 HydrophobicContact CG1-CE1 4.48Å
21E94.2Very high97.1Very high158 Ų15841.1 Ų41.174%0.73820%0.196SC*.Hα-helixtrans-58.5-47.4-176.7-64.1-174.4176.400112G19 C23 T24G19-E21 VanDerWaalsContact C-N 3.27Å; G19-E21 PolarHBondContact O-N 2.97Å; E21-C23 VanDerWaalsContact C-N 3.26Å; E21-C23 PolarHBondContact O-N 2.93Å; E21-T24 WeakPolarHBondContact O-CB 3.38Å; E21-T24 PolarHBondContact O-N 3.16Å; E21-T24 PolarHBondContact O-OG1 2.98Å; E21-T24 VanDerWaalsContact O-OG1 3.14Å
22I96.6Very high97Very high87 Ų8740.8 Ų40.845%0.44619%0.194SC..Hα-helixtrans-72-22.7-179.862.6164.9000112.4G19 I20 P64 S66 L68G19-I22 WeakPolarHBondContact O-CG1 3.47Å; G19-I22 PolarHBondContact O-N 3.21Å; I20-I22 PolarHBondContact O-N 3.36Å; I22-P64 HydrophobicContact CD1-CG 4.48Å; I22-S66 VanDerWaalsContact CD1-CB 3.49Å; I22-S66 VanDerWaalsContact CD1-OG 3.22Å; I22-S66 WeakPolarHBondContact CD1-OG 3.47Å; I22-L68 HydrophobicContact CD1-CD1 4.18Å
23C97.4Very high96.9Very high0 Ų044.5 Ų44.50%021%0.214CC..Hα-helixtrans-88.8-18.4179-62.40000112.7I15 G19 I20 E21 H25 G26 L27 I69I15-C23 HydrophobicContact CD1-CB 3.91Å; I15-C23 HydrophobicContact CG2-CB 4.47Å; G19-C23 PolarHBondContact O-N 2.94Å; G19-C23 PolarHBondContact O-SG 3.49Å; I20-C23 CarbonylContact O-C 3.53Å; I20-C23 PolarHBondContact O-N 3.1Å; E21-C23 VanDerWaalsContact C-N 3.26Å; E21-C23 PolarHBondContact O-N 2.93Å; C23-H25 VanDerWaalsContact C-N 3.27Å; C23-H25 PolarHBondContact O-N 3.11Å; C23-H25 VanDerWaalsContact O-N 3.11Å; C23-G26 PolarHBondContact O-N 3.18Å; C23-L27 HydrophobicContact CB-CD1 3.81Å; C23-L27 HydrophobicContact CB-CG 4.1Å; C23-L27 WeakPolarHBondContact O-CG 3.42Å; C23-L27 PolarHBondContact O-N 3.44Å; C23-I69 VanDerWaalsContact SG-CD1 3.58Å
24T96.9Very high96.4Very high27 Ų2747.3 Ų47.317%0.16624%0.237CC..Hα-helixtrans-48-44.4-173.8-59.30000113.2I20 E21 G26 L27 I28I20-T24 PolarHBondContact O-N 3.2Å; I20-T24 PolarHBondContact O-OG1 3.22Å; E21-T24 WeakPolarHBondContact O-CB 3.38Å; E21-T24 PolarHBondContact O-N 3.16Å; E21-T24 PolarHBondContact O-OG1 2.98Å; E21-T24 VanDerWaalsContact O-OG1 3.14Å; T24-G26 PolarHBondContact O-N 3.48Å; T24-L27 PolarHBondContact O-N 2.83Å; T24-I28 HydrophobicContact CG2-CD1 3.62Å; T24-I28 HydrophobicContact CG2-CG1 4.13Å; T24-I28 WeakPolarHBondContact O-CB 3.3Å; T24-I28 VanDerWaalsContact O-CG1 3.29Å; T24-I28 WeakPolarHBondContact O-CG1 3.29Å; T24-I28 PolarHBondContact O-N 3.39Å
25H97.7Very high96Very high141 Ų14152.2 Ų52.265%0.65327%0.272SS*.Hα-helixtrans-60.6-47.1179.6173.7-88000112.4C23 K29C23-H25 VanDerWaalsContact C-N 3.27Å; C23-H25 PolarHBondContact O-N 3.11Å; C23-H25 VanDerWaalsContact O-N 3.11Å; H25-K29 PolarHBondContact O-N 3.42Å
26G97.8Very high95.9Very high3 Ų358.8 Ų58.83%0.03130%0.3CS..Hα-helixtrans-64.8-46.9177.100000111.4C23 T24 I28 K29 L30 E62C23-G26 PolarHBondContact O-N 3.18Å; T24-G26 PolarHBondContact O-N 3.48Å; G26-I28 PolarHBondContact O-N 2.94Å; G26-K29 WeakPolarHBondContact O-CB 3.33Å; G26-K29 PolarHBondContact O-N 3.22Å; G26-K29 VanDerWaalsContact O-N 3.11Å; G26-L30 WeakPolarHBondContact O-CG 3.39Å; G26-L30 PolarHBondContact O-N 2.93Å; G26-E62 WeakPolarHBondContact CA-O 3.5Å
27L98.3Very high95.8Very high0 Ų055.8 Ų55.80%029%0.288CS..Hα-helixtrans-64-39.5-179.1-63.2177.2000112.8I15 I20 C23 T24 K29 L30 A31 F42 L44 I53 L63 F208I15-L27 HydrophobicContact CD1-CD1 4.1Å; I15-L27 HydrophobicContact CD1-CD2 4.36Å; I20-L27 HydrophobicContact CD1-CD1 3.47Å; I20-L27 VanDerWaalsContact CD1-CD1 3.47Å; C23-L27 HydrophobicContact CB-CD1 3.81Å; C23-L27 HydrophobicContact CB-CG 4.1Å; C23-L27 WeakPolarHBondContact O-CG 3.42Å; C23-L27 PolarHBondContact O-N 3.44Å; T24-L27 PolarHBondContact O-N 2.83Å; L27-K29 VanDerWaalsContact C-N 3.31Å; L27-K29 PolarHBondContact O-N 3.11Å; L27-L30 HydrophobicContact CD2-CD1 4.46Å; L27-L30 PolarHBondContact O-N 3.4Å; L27-A31 VanDerWaalsContact O-CB 3.29Å; L27-A31 WeakPolarHBondContact O-CB 3.42Å; L27-A31 PolarHBondContact O-N 3.06Å; L27-F42 HydrophobicContact CD2-CE2 4.08Å; L27-F42 HydrophobicContact CD2-CZ 4.16Å; L27-L44 HydrophobicContact CD1-CD1 3.8Å; L27-L44 HydrophobicContact CD2-CD1 3.9Å; L27-L44 HydrophobicContact CG-CD1 4.34Å; L27-I53 HydrophobicContact CD2-CD1 3.9Å; L27-L63 HydrophobicContact CD2-CD2 3.93Å; L27-F208 HydrophobicContact CB-CE1 4.04Å; L27-F208 HydrophobicContact CB-CZ 3.95Å; L27-F208 HydrophobicContact CD1-CE1 3.88Å
28I97.9Very high95.9Very high45 Ų4561.3 Ų61.323%0.23131%0.307CS..Hα-helixtrans-62.2-42.3173.1-75.5176.5000110.5T24 G26 A31 F32 M204 F208T24-I28 HydrophobicContact CG2-CD1 3.62Å; T24-I28 HydrophobicContact CG2-CG1 4.13Å; T24-I28 WeakPolarHBondContact O-CB 3.3Å; T24-I28 VanDerWaalsContact O-CG1 3.29Å; T24-I28 WeakPolarHBondContact O-CG1 3.29Å; T24-I28 PolarHBondContact O-N 3.39Å; G26-I28 PolarHBondContact O-N 2.94Å; I28-A31 PolarHBondContact O-N 3.47Å; I28-F32 HydrophobicContact CB-CD2 4.39Å; I28-F32 HydrophobicContact CG1-CD2 4.42Å; I28-F32 HydrophobicContact CG2-CD2 4.2Å; I28-F32 PolarHBondContact O-N 2.98Å; I28-M204 HydrophobicContact CD1-CE 4.31Å; I28-M204 HydrophobicContact CD1-SD 4.38Å; I28-M204 HydrophobicContact CG1-CE 4.3Å; I28-M204 HydrophobicContact CG2-CE 4.14Å; I28-F208 HydrophobicContact CG1-CE2 4.01Å; I28-F208 HydrophobicContact CG1-CZ 4.5Å
29K97.8Very high96.1Very high44 Ų4455.3 Ų55.319%0.19128%0.281CS..Hα-helixtrans-62.6-44.7178.4-167.6-168.6-70.61750111.2H25 G26 L27 L33 K36 E62H25-K29 PolarHBondContact O-N 3.42Å; G26-K29 WeakPolarHBondContact O-CB 3.33Å; G26-K29 PolarHBondContact O-N 3.22Å; G26-K29 VanDerWaalsContact O-N 3.11Å; L27-K29 VanDerWaalsContact C-N 3.31Å; L27-K29 PolarHBondContact O-N 3.11Å; K29-L33 HydrophobicContact CG-CB 4.21Å; K29-L33 HydrophobicContact CG-CD1 4.47Å; K29-L33 CarbonylContact O-C 3.57Å; K29-L33 VanDerWaalsContact O-C 3.31Å; K29-L33 WeakPolarHBondContact O-CA 3.1Å; K29-L33 WeakPolarHBondContact O-CB 3.31Å; K29-L33 PolarHBondContact O-N 3.39Å; K29-L33 VanDerWaalsContact O-N 3.1Å; K29-K36 HydrophobicContact CD-CB 4.19Å; K29-K36 HydrophobicContact CG-CB 3.94Å; K29-E62 HydrophobicContact CD-CG 4.32Å; K29-E62 WeakPolarHBondContact CD-OE1 3.48Å; K29-E62 WeakPolarHBondContact CD-OE2 3.38Å; K29-E62 WeakPolarHBondContact CE-OE2 3.26Å; K29-E62 IonicContact NZ-OE1 3.97Å; K29-E62 PolarHBondContact NZ-OE1 2.8Å; K29-E62 IonicContact NZ-OE2 3.22Å; K29-E62 PolarHBondContact NZ-OE2 2.97Å
30L98.1Very high96.2Very high3 Ų360.3 Ų60.32%0.01630%0.303CS..Hα-helixtrans-65-44.1178.5-65.8171.6000112.4G26 L27 T37 C39 F42 V55 G59 E62 L63G26-L30 WeakPolarHBondContact O-CG 3.39Å; G26-L30 PolarHBondContact O-N 2.93Å; L27-L30 HydrophobicContact CD2-CD1 4.46Å; L27-L30 PolarHBondContact O-N 3.4Å; L30-T37 HydrophobicContact CD2-CG2 4.42Å; L30-C39 HydrophobicContact CD2-CB 3.79Å; L30-F42 HydrophobicContact CB-CD1 4.06Å; L30-F42 HydrophobicContact CB-CD2 3.97Å; L30-F42 HydrophobicContact CB-CE1 4.11Å; L30-F42 HydrophobicContact CB-CE2 4.02Å; L30-F42 HydrophobicContact CB-CG 3.99Å; L30-F42 HydrophobicContact CB-CZ 4.08Å; L30-F42 HydrophobicContact CD1-CD2 3.86Å; L30-F42 HydrophobicContact CD1-CE2 3.79Å; L30-F42 HydrophobicContact CG-CD2 4.44Å; L30-V55 HydrophobicContact CD1-CG2 4.46Å; L30-G59 VanDerWaalsContact CD2-CA 3.5Å; L30-E62 HydrophobicContact CD1-CB 4.37Å; L30-E62 HydrophobicContact CD2-CB 4.18Å; L30-E62 HydrophobicContact CD2-CG 4Å; L30-E62 HydrophobicContact CG-CB 4.22Å; L30-E62 HydrophobicContact CG-CG 4.49Å; L30-L63 HydrophobicContact CD1-CD2 4.46Å
31A97.1Very high96.3Very high0 Ų059.7 Ų59.70%030%0.3CS..Hα-helixtrans-78.8-40.3-174.700000113.7L27 I28 F42 L196 M207 F231L27-A31 VanDerWaalsContact O-CB 3.29Å; L27-A31 WeakPolarHBondContact O-CB 3.42Å; L27-A31 PolarHBondContact O-N 3.06Å; I28-A31 PolarHBondContact O-N 3.47Å; A31-F42 HydrophobicContact CB-CE1 3.9Å; A31-L196 WeakPolarHBondContact O-CD2 3.22Å; A31-M207 HydrophobicContact CB-CE 4.25Å; A31-F231 HydrophobicContact CB-CE1 4Å; A31-F231 HydrophobicContact CB-CZ 4.29Å
32F96.8Very high96.5Very high34 Ų3452.3 Ų52.315%0.14927%0.265CS..Hα-helixtrans-119.4-14.2-166.2-54.8-72.6000114.4I28 L196 A200 L203 M204 M207 F208I28-F32 HydrophobicContact CB-CD2 4.39Å; I28-F32 HydrophobicContact CG1-CD2 4.42Å; I28-F32 HydrophobicContact CG2-CD2 4.2Å; I28-F32 PolarHBondContact O-N 2.98Å; F32-L196 HydrophobicContact CD1-CD1 4.04Å; F32-L196 HydrophobicContact CD1-CD2 4.17Å; F32-L196 HydrophobicContact CD1-CG 4.07Å; F32-L196 HydrophobicContact CE1-CD1 3.98Å; F32-A200 HydrophobicContact CD1-CB 3.97Å; F32-A200 HydrophobicContact CE1-CB 4.08Å; F32-L203 HydrophobicContact CE1-CB 3.89Å; F32-L203 HydrophobicContact CE1-CD1 4Å; F32-L203 HydrophobicContact CZ-CB 3.78Å; F32-M204 HydrophobicContact CD2-CE 3.53Å; F32-M204 HydrophobicContact CD2-CG 4.42Å; F32-M204 HydrophobicContact CE2-CE 3.75Å; F32-M204 HydrophobicContact CE2-CG 3.66Å; F32-M204 HydrophobicContact CG-CE 4.02Å; F32-M204 HydrophobicContact CZ-CE 4.38Å; F32-M204 HydrophobicContact CZ-CG 3.91Å; F32-M207 HydrophobicContact CE2-SD 4.4Å; F32-M207 HydrophobicContact CZ-SD 4Å; F32-F208 HydrophobicContact CE2-CE2 4.45Å
33L95.8Very high96.6Very high78 Ų7848.2 Ų48.241%0.40824%0.244SC..  trans-121.753.4-174-52.6177000110.9K29 S35 K36K29-L33 HydrophobicContact CG-CB 4.21Å; K29-L33 HydrophobicContact CG-CD1 4.47Å; K29-L33 CarbonylContact O-C 3.57Å; K29-L33 VanDerWaalsContact O-C 3.31Å; K29-L33 WeakPolarHBondContact O-CA 3.1Å; K29-L33 WeakPolarHBondContact O-CB 3.31Å; K29-L33 PolarHBondContact O-N 3.39Å; K29-L33 VanDerWaalsContact O-N 3.1Å; L33-S35 PolarHBondContact O-N 3.34Å; L33-K36 HydrophobicContact CB-CB 4.02Å; L33-K36 HydrophobicContact CB-CG 3.88Å; L33-K36 WeakPolarHBondContact O-CA 3.36Å; L33-K36 WeakPolarHBondContact O-CB 3.33Å; L33-K36 PolarHBondContact O-N 3.14Å
34A88.1Confident96.7Very high59 Ų5948.2 Ų48.249%0.48824%0.244SC..G310 helixtrans-50.8-33-178.500000113.5K36 T37A34-K36 PolarHBondContact O-N 2.96Å; A34-T37 PolarHBondContact O-N 3.38Å
35S91.1Very high96.8Very high108 Ų10847 Ų4776%0.75524%0.237SC*.G310 helixtrans-70.1-8.9175.564.20000115.2L33L33-S35 PolarHBondContact O-N 3.34Å
36K95.9Very high96.8Very high138 Ų13840.4 Ų40.460%0.621%0.206SC*.G310 helixtrans-105.40.1-177.8-58.1-57.9-177.3-174.20113.2K29 L33 A34K29-K36 HydrophobicContact CD-CB 4.19Å; K29-K36 HydrophobicContact CG-CB 3.94Å; L33-K36 HydrophobicContact CB-CB 4.02Å; L33-K36 HydrophobicContact CB-CG 3.88Å; L33-K36 WeakPolarHBondContact O-CA 3.36Å; L33-K36 WeakPolarHBondContact O-CB 3.33Å; L33-K36 PolarHBondContact O-N 3.14Å; A34-K36 PolarHBondContact O-N 2.96Å
37T95.8Very high96.8Very high22 Ų2240.2 Ų40.214%0.13521%0.205CC..  trans-136.4161177-179.70000109.9L30 A34 C39L30-T37 HydrophobicContact CD2-CG2 4.42Å; A34-T37 PolarHBondContact O-N 3.38Å; T37-C39 HydrophobicContact CG2-CB 3.87Å; T37-C39 WeakPolarHBondContact OG1-CB 3.29Å; T37-C39 PolarHBondContact OG1-N 3.47Å; T37-C39 VanDerWaalsContact OG1-N 3.1Å
38R96.2Very high96.7Very high178 Ų17843 Ų4367%0.67222%0.222SC*.  trans-97.23.5169.7-62.8-171.1-63.3-176.81112.5K40 E58R38-K40 PolarHBondContact O-N 3.47Å; R38-E58 HydrophobicContact CB-CB 4.08Å; R38-E58 HydrophobicContact CB-CG 4.03Å; R38-E58 IonicContact CZ-OE2 3.13Å; R38-E58 IonicContact NE-OE2 2.82Å; R38-E58 PolarHBondContact NE-OE2 3.41Å; R38-E58 IonicContact NH2-OE1 3.2Å; R38-E58 PolarHBondContact NH2-OE1 3.1Å; R38-E58 IonicContact NH2-OE2 2.68Å; R38-E58 PolarHBondContact NH2-OE2 3.37Å
39C98Very high96.5Very high24 Ų2443.6 Ų43.616%0.16222%0.224CC..  trans-57.9127.3175.6-173.70000110.4L30 T37 F41 D56L30-C39 HydrophobicContact CD2-CB 3.79Å; T37-C39 HydrophobicContact CG2-CB 3.87Å; T37-C39 WeakPolarHBondContact OG1-CB 3.29Å; T37-C39 PolarHBondContact OG1-N 3.47Å; T37-C39 VanDerWaalsContact OG1-N 3.1Å; C39-F41 PolarHBondContact SG-O 3.34Å; C39-F41 VanDerWaalsContact SG-O 3.34Å; C39-D56 WeakPolarHBondContact CA-OD2 3.4Å
40K97.2Very high96.5Very high105 Ų10541.5 Ų41.546%0.45722%0.215SC..  trans-113.7-16.3174.2-67.9180176.7-176.90112.4E7 R38 D56 I234 E235E7-K40 IonicContact OE1-NZ 2.66Å; E7-K40 PolarHBondContact OE1-NZ 3.34Å; R38-K40 PolarHBondContact O-N 3.47Å; K40-D56 PolarHBondContact N-OD2 3.46Å; K40-I234 CarbonylContact O-C 3.58Å; K40-I234 WeakPolarHBondContact O-CA 3.42Å; K40-E235 PolarHBondContact O-N 3.46Å
41F98.4Very high96.6Very high0 Ų041.7 Ų41.70%022%0.216CC..EExtended strand (participates in β ladder)trans-128.9107.8177.2-162.9-66.3000109.5H8 L10 C39 I54 V55 D56 A78 L117 F124 I234H8-F41 HydrophobicContact CB-CB 4.45Å; H8-F41 HydrophobicContact CB-CD2 4.28Å; H8-F41 AromaticContact CD2-CD2 3.76Å; H8-F41 AromaticContact CG-CD2 3.94Å; L10-F41 HydrophobicContact CD1-CD1 4.1Å; L10-F41 HydrophobicContact CD1-CD2 4.21Å; L10-F41 HydrophobicContact CD1-CE1 3.88Å; L10-F41 HydrophobicContact CD1-CE2 3.97Å; L10-F41 HydrophobicContact CD1-CG 4.27Å; L10-F41 HydrophobicContact CD1-CZ 3.8Å; L10-F41 HydrophobicContact CD2-CB 3.68Å; L10-F41 HydrophobicContact CD2-CD1 3.56Å; L10-F41 HydrophobicContact CD2-CD2 4.05Å; L10-F41 HydrophobicContact CD2-CE1 4.19Å; L10-F41 HydrophobicContact CD2-CG 3.49Å; L10-F41 VanDerWaalsContact CD2-CG 3.49Å; C39-F41 PolarHBondContact SG-O 3.34Å; C39-F41 VanDerWaalsContact SG-O 3.34Å; F41-I54 HydrophobicContact CD1-CG2 4.2Å; F41-I54 HydrophobicContact CE1-CB 4.25Å; F41-I54 HydrophobicContact CE1-CG2 3.62Å; F41-I54 HydrophobicContact CZ-CG2 4.48Å; F41-V55 CarbonylContact O-C 3.51Å; F41-V55 VanDerWaalsContact O-CA 3.25Å; F41-V55 WeakPolarHBondContact O-CA 3.41Å; F41-D56 HydrophobicContact CB-CB 4.22Å; F41-D56 PolarHBondContact N-OD2 3.48Å; F41-D56 PolarHBondContact O-N 3.45Å; F41-A78 HydrophobicContact CE2-CB 4.22Å; F41-L117 HydrophobicContact CE1-CD2 3.92Å; F41-L117 HydrophobicContact CZ-CD2 3.85Å; F41-F124 HydrophobicContact CE2-CD1 4.24Å; F41-F124 HydrophobicContact CE2-CD2 4.43Å; F41-F124 HydrophobicContact CE2-CE1 4.37Å; F41-F124 HydrophobicContact CE2-CG 4.27Å; F41-F124 HydrophobicContact CZ-CD2 4.36Å; F41-F124 HydrophobicContact CZ-CG 4.35Å; F41-I234 HydrophobicContact CD1-CD1 4.22Å; F41-I234 HydrophobicContact CD1-CG1 4.13Å; F41-I234 HydrophobicContact CD2-CB 4.49Å; F41-I234 HydrophobicContact CD2-CD1 4.27Å; F41-I234 HydrophobicContact CD2-CG1 4.17Å; F41-I234 HydrophobicContact CD2-CG2 3.55Å; F41-I234 HydrophobicContact CE1-CD1 3.77Å; F41-I234 HydrophobicContact CE1-CG1 4.2Å; F41-I234 HydrophobicContact CE2-CD1 3.84Å; F41-I234 HydrophobicContact CE2-CG1 4.25Å; F41-I234 HydrophobicContact CE2-CG2 3.85Å; F41-I234 HydrophobicContact CG-CD1 4.45Å; F41-I234 HydrophobicContact CG-CG1 4.11Å; F41-I234 HydrophobicContact CG-CG2 4.15Å; F41-I234 HydrophobicContact CZ-CD1 3.57Å; F41-I234 HydrophobicContact CZ-CG1 4.27Å
42F98.7Very high96.7Very high2 Ų241.7 Ų41.71%0.00922%0.216CC..EExtended strand (participates in β ladder)trans-134.6128.2174.7171.7-116000110.3L27 L30 A31 L44 I53 I54 V55 F231 S232 L233L27-F42 HydrophobicContact CD2-CE2 4.08Å; L27-F42 HydrophobicContact CD2-CZ 4.16Å; L30-F42 HydrophobicContact CB-CD1 4.06Å; L30-F42 HydrophobicContact CB-CD2 3.97Å; L30-F42 HydrophobicContact CB-CE1 4.11Å; L30-F42 HydrophobicContact CB-CE2 4.02Å; L30-F42 HydrophobicContact CB-CG 3.99Å; L30-F42 HydrophobicContact CB-CZ 4.08Å; L30-F42 HydrophobicContact CD1-CD2 3.86Å; L30-F42 HydrophobicContact CD1-CE2 3.79Å; L30-F42 HydrophobicContact CG-CD2 4.44Å; A31-F42 HydrophobicContact CB-CE1 3.9Å; F42-L44 HydrophobicContact CE1-CB 4.37Å; F42-L44 HydrophobicContact CE2-CB 4.2Å; F42-L44 HydrophobicContact CZ-CB 3.72Å; F42-L44 HydrophobicContact CZ-CD1 4.31Å; F42-I53 HydrophobicContact CD2-CG2 4.44Å; F42-I53 HydrophobicContact CE2-CD1 4.46Å; F42-I53 HydrophobicContact CE2-CG2 4.22Å; F42-I54 CarbonylContact C-O 3.51Å; F42-I54 WeakPolarHBondContact CA-O 3.41Å; F42-V55 HydrophobicContact CD2-CG2 4.28Å; F42-F231 HydrophobicContact CD1-CD1 4.21Å; F42-F231 HydrophobicContact CD1-CE1 4.07Å; F42-F231 AromaticContact CE1-CD1 3.88Å; F42-F231 HydrophobicContact CE1-CD1 3.88Å; F42-F231 AromaticContact CE1-CE1 3.99Å; F42-F231 HydrophobicContact CE1-CE1 3.99Å; F42-S232 CarbonylContact O-C 3.58Å; F42-S232 VanDerWaalsContact O-CA 3.29Å; F42-S232 WeakPolarHBondContact O-CA 3.32Å; F42-L233 PolarHBondContact N-O 3.06Å; F42-L233 CarbonylContact O-C 3.55Å; F42-L233 PolarHBondContact O-N 2.94Å
43S98.8Very high96.7Very high1 Ų140.1 Ų40.11%0.00721%0.209CC..EExtended strand (participates in β ladder)trans-135.5135.1168.9-165.90000109.5I53 I54 F231 S232S43-I53 CarbonylContact O-C 3.53Å; S43-I53 VanDerWaalsContact O-CA 3.3Å; S43-I53 WeakPolarHBondContact O-CA 3.41Å; S43-I54 PolarHBondContact N-O 2.87Å; S43-I54 PolarHBondContact O-N 3.12Å; S43-F231 CarbonylContact C-O 3.53Å; S43-F231 WeakPolarHBondContact CA-O 3.4Å; S43-S232 PolarHBondContact OG-OG 3.47Å
44L98.8Very high96.9Very high0 Ų036.4 Ų36.40%019%0.19CC..EExtended strand (participates in β ladder)trans-126119.5173.5176.6145.4000108.5L27 F42 Y51 T52 I53 M207 S230 F231L27-L44 HydrophobicContact CD1-CD1 3.8Å; L27-L44 HydrophobicContact CD2-CD1 3.9Å; L27-L44 HydrophobicContact CG-CD1 4.34Å; F42-L44 HydrophobicContact CE1-CB 4.37Å; F42-L44 HydrophobicContact CE2-CB 4.2Å; F42-L44 HydrophobicContact CZ-CB 3.72Å; F42-L44 HydrophobicContact CZ-CD1 4.31Å; L44-Y51 HydrophobicContact CD1-CD1 4.46Å; L44-Y51 HydrophobicContact CD2-CD1 4.05Å; L44-Y51 HydrophobicContact CG-CD1 4.41Å; L44-T52 CarbonylContact C-O 3.56Å; L44-T52 WeakPolarHBondContact CA-O 3.25Å; L44-I53 HydrophobicContact CB-CD1 3.81Å; L44-I53 HydrophobicContact CD1-CD1 3.46Å; L44-I53 VanDerWaalsContact CD1-CD1 3.46Å; L44-I53 HydrophobicContact CG-CD1 3.67Å; L44-M207 HydrophobicContact CD1-CE 4.23Å; L44-M207 HydrophobicContact CD2-CE 3.95Å; L44-S230 CarbonylContact O-C 3.56Å; L44-S230 WeakPolarHBondContact O-CA 3.23Å; L44-F231 PolarHBondContact N-O 2.95Å; L44-F231 PolarHBondContact O-N 3.34Å
45T98.8Very high97.4Very high2 Ų233.6 Ų33.61%0.01217%0.167CC..EExtended strand (participates in β ladder)trans-117.6111.7176.4-52.30000109.3Y51 T52 F228 F229 S230 I299 T301T45-Y51 CarbonylContact O-C 3.58Å; T45-Y51 WeakPolarHBondContact O-CA 3.29Å; T45-T52 PolarHBondContact N-O 2.84Å; T45-T52 PolarHBondContact O-N 3.42Å; T45-F228 HydrophobicContact CG2-CD2 4.43Å; T45-F228 HydrophobicContact CG2-CE1 4.32Å; T45-F228 HydrophobicContact CG2-CE2 3.75Å; T45-F228 HydrophobicContact CG2-CZ 3.68Å; T45-F229 CarbonylContact C-O 3.54Å; T45-F229 WeakPolarHBondContact CA-O 3.33Å; T45-S230 PolarHBondContact OG1-OG 2.8Å; T45-I299 HydrophobicContact CG2-CG2 4.31Å; T45-T301 HydrophobicContact CG2-CG2 3.75Å
46E98.4Very high97.7Very high2 Ų229 Ų291%0.00913%0.133CC..EExtended strand (participates in β ladder)trans-78.8129170.1-170-175.9-179.600110.6K17 Y51 R227 F228 F229K17-E46 IonicContact NZ-OE1 2.7Å; K17-E46 PolarHBondContact NZ-OE1 2.69Å; E46-Y51 HydrophobicContact CB-CD1 3.77Å; E46-Y51 HydrophobicContact CB-CE1 3.72Å; E46-Y51 HydrophobicContact CG-CD1 3.78Å; E46-Y51 HydrophobicContact CG-CE1 3.38Å; E46-Y51 PolarHBondContact OE1-OH 2.92Å; E46-R227 VanDerWaalsContact CD-NE 3.32Å; E46-R227 HydrophobicContact CG-CG 4.38Å; E46-R227 IonicContact OE1-NE 3.17Å; E46-R227 PolarHBondContact OE1-NE 3.17Å; E46-R227 IonicContact OE2-CZ 2.67Å; E46-R227 VanDerWaalsContact OE2-CZ 3.22Å; E46-R227 IonicContact OE2-NE 2.75Å; E46-R227 PolarHBondContact OE2-NE 3.17Å; E46-R227 IonicContact OE2-NH2 2.87Å; E46-R227 PolarHBondContact OE2-NH2 2.89Å; E46-F228 WeakPolarHBondContact O-CA 3.44Å; E46-F229 HydrophobicContact CB-CB 4.27Å; E46-F229 PolarHBondContact N-O 3.24Å; E46-F229 PolarHBondContact O-N 2.98Å; E46-F229 VanDerWaalsContact O-N 3.12Å
47T97.4Very high97.8Very high0 Ų027 Ų270%013%0.126CC..  trans-119.5177.2169.967.20000109.8K17 E49 D50 R227 T301K17-T47 WeakPolarHBondContact CE-O 3.41Å; K17-T47 PolarHBondContact NZ-O 2.85Å; T47-E49 WeakPolarHBondContact CB-OE2 3.22Å; T47-E49 PolarHBondContact O-N 3.01Å; T47-E49 PolarHBondContact OG1-N 2.79Å; T47-E49 PolarHBondContact OG1-OE2 3.34Å; T47-D50 PolarHBondContact N-O 2.82Å; T47-D50 PolarHBondContact OG1-N 3.32Å; T47-D50 PolarHBondContact OG1-O 3.35Å; T47-D50 PolarHBondContact OG1-OD1 3.16Å; T47-R227 CarbonylContact C-O 3.5Å; T47-T301 HydrophobicContact CG2-CG2 3.68Å
48P94.9Very high97.9Very high57 Ų5728.4 Ų28.437%0.3713%0.131SC..SBendtrans-61.7-30168.8-22.435.1000112.7K17 I226 R227K17-P48 WeakPolarHBondContact CE-O 3.41Å; P48-I226 HydrophobicContact CG-CD1 3.92Å; P48-I226 HydrophobicContact CG-CG1 3.46Å; P48-I226 VanDerWaalsContact CG-CG1 3.46Å; P48-R227 VanDerWaalsContact CD-O 3.23Å; P48-R227 WeakPolarHBondContact CD-O 3.28Å; P48-R227 HydrophobicContact CG-CB 4.48Å
49E95.6Very high98Very high58 Ų5820 Ų2027%0.27110%0.099SC..SBendtrans-89.3-32.4-170.9-59.477.5-159.800113.8T47 R268 K303 F304T47-E49 WeakPolarHBondContact CB-OE2 3.22Å; T47-E49 PolarHBondContact O-N 3.01Å; T47-E49 PolarHBondContact OG1-N 2.79Å; T47-E49 PolarHBondContact OG1-OE2 3.34Å; E49-R268 IonicContact OE1-CZ 3.54Å; E49-R268 IonicContact OE1-NH1 3.88Å; E49-R268 PolarHBondContact OE1-NH1 2.89Å; E49-R268 IonicContact OE1-NH2 3.58Å; E49-R268 PolarHBondContact OE1-NH2 3.42Å; E49-R268 IonicContact OE2-CZ 3.73Å; E49-R268 IonicContact OE2-NH2 3.46Å; E49-R268 PolarHBondContact OE2-NH2 2.84Å; E49-K303 HydrophobicContact CB-CD 3.9Å; E49-K303 HydrophobicContact CG-CD 4.39Å; E49-F304 HydrophobicContact CG-CE2 4.12Å
50D97.7Very high98Very high0 Ų021.9 Ų21.90%011%0.105CC..EExtended strand (participates in β ladder)trans-164-175.7-172.461.423.6000113.6S14 I15 T47 T52 K303S14-D50 WeakPolarHBondContact OG-CB 3.48Å; S14-D50 PolarHBondContact OG-OD2 2.85Å; I15-D50 WeakPolarHBondContact O-CB 3.46Å; T47-D50 PolarHBondContact N-O 2.82Å; T47-D50 PolarHBondContact OG1-N 3.32Å; T47-D50 PolarHBondContact OG1-O 3.35Å; T47-D50 PolarHBondContact OG1-OD1 3.16Å; D50-T52 PolarHBondContact OD1-OG1 2.93Å; D50-K303 WeakPolarHBondContact OD2-CE 3.4Å; D50-K303 IonicContact OD2-NZ 3.4Å
51Y98.6Very high98Very high7 Ų723.2 Ų23.23%0.02711%0.111CC..EExtended strand (participates in β ladder)trans-112.2110.4160.2-61.7-95.9000108.6S14 I15 K17 I20 L44 T45 E46 M207S14-Y51 WeakPolarHBondContact CA-O 3.13Å; I15-Y51 PolarHBondContact N-O 3.49Å; I15-Y51 PolarHBondContact O-N 3.44Å; K17-Y51 HydrophobicContact CD-CD2 4.02Å; K17-Y51 HydrophobicContact CD-CE2 3.51Å; I20-Y51 HydrophobicContact CB-CD2 4.15Å; I20-Y51 HydrophobicContact CB-CE2 3.68Å; I20-Y51 HydrophobicContact CD1-CD1 3.98Å; I20-Y51 HydrophobicContact CD1-CD2 3.72Å; I20-Y51 HydrophobicContact CD1-CE1 4Å; I20-Y51 HydrophobicContact CD1-CE2 3.75Å; I20-Y51 HydrophobicContact CD1-CG 3.83Å; I20-Y51 HydrophobicContact CG1-CD2 4.14Å; I20-Y51 HydrophobicContact CG1-CE1 4.31Å; I20-Y51 HydrophobicContact CG1-CE2 3.67Å; I20-Y51 HydrophobicContact CG2-CE2 4.31Å; L44-Y51 HydrophobicContact CD1-CD1 4.46Å; L44-Y51 HydrophobicContact CD2-CD1 4.05Å; L44-Y51 HydrophobicContact CG-CD1 4.41Å; T45-Y51 CarbonylContact O-C 3.58Å; T45-Y51 WeakPolarHBondContact O-CA 3.29Å; E46-Y51 HydrophobicContact CB-CD1 3.77Å; E46-Y51 HydrophobicContact CB-CE1 3.72Å; E46-Y51 HydrophobicContact CG-CD1 3.78Å; E46-Y51 HydrophobicContact CG-CE1 3.38Å; E46-Y51 PolarHBondContact OE1-OH 2.92Å; Y51-M207 VanDerWaalsContact CE1-O 3.23Å; Y51-M207 WeakPolarHBondContact CE1-O 3.5Å; Y51-M207 PolarHBondContact OH-O 3.18Å
52T98.8Very high98Very high1 Ų125.4 Ų25.41%0.00612%0.121CC..EExtended strand (participates in β ladder)trans-80.7129.7172.5-62.30000109.9V12 A13 L44 T45 D50 F115 T301 F302V12-T52 HydrophobicContact CG1-CG2 4.39Å; A13-T52 CarbonylContact O-C 3.55Å; A13-T52 WeakPolarHBondContact O-CA 3.4Å; L44-T52 CarbonylContact C-O 3.56Å; L44-T52 WeakPolarHBondContact CA-O 3.25Å; T45-T52 PolarHBondContact N-O 2.84Å; T45-T52 PolarHBondContact O-N 3.42Å; D50-T52 PolarHBondContact OD1-OG1 2.93Å; T52-F115 HydrophobicContact CG2-CZ 4.49Å; T52-T301 WeakPolarHBondContact OG1-CB 3.36Å; T52-F302 HydrophobicContact CG2-CB 4.19Å; T52-F302 WeakPolarHBondContact OG1-CB 3.32Å; T52-F302 PolarHBondContact OG1-N 2.93Å
53I98.6Very high97.9Very high0 Ų026.2 Ų26.20%013%0.126CC..EExtended strand (participates in β ladder)trans-113.2129.7176.2-51.3-59.3000109.2V12 A13 I15 L27 F42 S43 L44 V55 L63V12-I53 CarbonylContact C-O 3.58Å; V12-I53 WeakPolarHBondContact CA-O 3.39Å; A13-I53 HydrophobicContact CB-CB 4.45Å; A13-I53 PolarHBondContact N-O 2.8Å; A13-I53 PolarHBondContact O-N 3.1Å; I15-I53 HydrophobicContact CD1-CD1 3.99Å; I15-I53 HydrophobicContact CD1-CG1 3.64Å; I15-I53 HydrophobicContact CG1-CG1 4.11Å; L27-I53 HydrophobicContact CD2-CD1 3.9Å; F42-I53 HydrophobicContact CD2-CG2 4.44Å; F42-I53 HydrophobicContact CE2-CD1 4.46Å; F42-I53 HydrophobicContact CE2-CG2 4.22Å; S43-I53 CarbonylContact O-C 3.53Å; S43-I53 VanDerWaalsContact O-CA 3.3Å; S43-I53 WeakPolarHBondContact O-CA 3.41Å; L44-I53 HydrophobicContact CB-CD1 3.81Å; L44-I53 HydrophobicContact CD1-CD1 3.46Å; L44-I53 VanDerWaalsContact CD1-CD1 3.46Å; L44-I53 HydrophobicContact CG-CD1 3.67Å; I53-V55 HydrophobicContact CG2-CB 3.81Å; I53-V55 HydrophobicContact CG2-CG1 3.82Å; I53-L63 HydrophobicContact CG2-CD1 4.49Å
54I98.8Very high97.8Very high1 Ų128.7 Ų28.71%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-115.4115.2164.3-49.6178.5000106.4L10 K11 V12 F41 F42 S43 F115 L117 L126L10-I54 HydrophobicContact CB-CG2 4.39Å; L10-I54 HydrophobicContact CD1-CG2 4.1Å; K11-I54 WeakPolarHBondContact O-CA 3.42Å; V12-I54 HydrophobicContact CG2-CG1 4.46Å; F41-I54 HydrophobicContact CD1-CG2 4.2Å; F41-I54 HydrophobicContact CE1-CB 4.25Å; F41-I54 HydrophobicContact CE1-CG2 3.62Å; F41-I54 HydrophobicContact CZ-CG2 4.48Å; F42-I54 CarbonylContact C-O 3.51Å; F42-I54 WeakPolarHBondContact CA-O 3.41Å; S43-I54 PolarHBondContact N-O 2.87Å; S43-I54 PolarHBondContact O-N 3.12Å; I54-F115 HydrophobicContact CD1-CD1 3.99Å; I54-F115 HydrophobicContact CD1-CE1 3.61Å; I54-F115 HydrophobicContact CG1-CE1 4.28Å; I54-L117 HydrophobicContact CD1-CB 4.17Å; I54-L117 HydrophobicContact CD1-CD1 4.33Å; I54-L117 HydrophobicContact CD1-CD2 4.21Å; I54-L117 HydrophobicContact CD1-CG 4.46Å; I54-L126 HydrophobicContact CD1-CD2 4.39Å; I54-L126 HydrophobicContact CG2-CD2 3.69Å
55V98.8Very high97.6Very high0 Ų038.4 Ų38.40%019%0.187CC..EExtended strand (participates in β ladder)trans-143.9145.3-171.867.40000111.3L10 K11 L30 F41 F42 I53 G59 F60L10-V55 CarbonylContact C-O 3.31Å; L10-V55 WeakPolarHBondContact CA-O 3.31Å; K11-V55 PolarHBondContact N-O 2.89Å; K11-V55 PolarHBondContact O-N 3.45Å; L30-V55 HydrophobicContact CD1-CG2 4.46Å; F41-V55 CarbonylContact O-C 3.51Å; F41-V55 VanDerWaalsContact O-CA 3.25Å; F41-V55 WeakPolarHBondContact O-CA 3.41Å; F42-V55 HydrophobicContact CD2-CG2 4.28Å; I53-V55 HydrophobicContact CG2-CB 3.81Å; I53-V55 HydrophobicContact CG2-CG1 3.82Å; V55-G59 VanDerWaalsContact CG2-C 3.49Å; V55-F60 HydrophobicContact CG1-CB 3.91Å; V55-F60 HydrophobicContact CG1-CD2 4.02Å; V55-F60 HydrophobicContact CG1-CG 4.47Å
56D98.5Very high97.5Very high11 Ų1139.9 Ų39.96%0.05920%0.197CC..EExtended strand (participates in β ladder)trans-68.5169.1171.268.141.2000113S9 L10 C39 K40 F41 E58 G59 F60S9-D56 VanDerWaalsContact O-CA 3.32Å; S9-D56 WeakPolarHBondContact O-CA 3.44Å; L10-D56 HydrophobicContact CD2-CB 4.04Å; C39-D56 WeakPolarHBondContact CA-OD2 3.4Å; K40-D56 PolarHBondContact N-OD2 3.46Å; F41-D56 HydrophobicContact CB-CB 4.22Å; F41-D56 PolarHBondContact N-OD2 3.48Å; F41-D56 PolarHBondContact O-N 3.45Å; D56-E58 PolarHBondContact O-N 2.85Å; D56-E58 WeakPolarHBondContact OD1-CA 3.21Å; D56-E58 WeakPolarHBondContact OD1-CB 3.28Å; D56-E58 PolarHBondContact OD1-N 3.45Å; D56-G59 PolarHBondContact O-N 2.92Å; D56-G59 PolarHBondContact OD1-N 2.75Å; D56-F60 WeakPolarHBondContact O-CB 3.49Å; D56-F60 PolarHBondContact O-N 3.42Å
57E97.3Very high97.4Very high97 Ų9746.5 Ų46.545%0.45323%0.233SC..Hα-helixtrans-59.4-29-178.4-62.1-164.5152.200114.3S9 K61S9-E57 PolarHBondContact O-N 2.67Å; S9-E57 VanDerWaalsContact O-N 3.17Å; E57-K61 WeakPolarHBondContact O-CE 3.48Å; E57-K61 WeakPolarHBondContact O-CG 3.36Å
58E97.5Very high97.4Very high51 Ų5148 Ų4824%0.23824%0.241CC..Hα-helixtrans-76.4-43178.6-71.4-64.3126.300110.8R38 D56 K61R38-E58 HydrophobicContact CB-CB 4.08Å; R38-E58 HydrophobicContact CB-CG 4.03Å; R38-E58 IonicContact CZ-OE2 3.13Å; R38-E58 IonicContact NE-OE2 2.82Å; R38-E58 PolarHBondContact NE-OE2 3.41Å; R38-E58 IonicContact NH2-OE1 3.2Å; R38-E58 PolarHBondContact NH2-OE1 3.1Å; R38-E58 IonicContact NH2-OE2 2.68Å; R38-E58 PolarHBondContact NH2-OE2 3.37Å; D56-E58 PolarHBondContact O-N 2.85Å; D56-E58 WeakPolarHBondContact OD1-CA 3.21Å; D56-E58 WeakPolarHBondContact OD1-CB 3.28Å; D56-E58 PolarHBondContact OD1-N 3.45Å; E58-K61 PolarHBondContact O-N 3.01Å; E58-K61 IonicContact OE1-NZ 3.95Å; E58-K61 PolarHBondContact OE1-NZ 3.33Å
59G98Very high97.5Very high0 Ų046.5 Ų46.50%023%0.229CC..Hα-helixtrans-69.6-32.6175.100000113L30 V55 D56 K61 E62L30-G59 VanDerWaalsContact CD2-CA 3.5Å; V55-G59 VanDerWaalsContact CG2-C 3.49Å; D56-G59 PolarHBondContact O-N 2.92Å; D56-G59 PolarHBondContact OD1-N 2.75Å; G59-K61 PolarHBondContact O-N 3.1Å; G59-E62 VanDerWaalsContact O-CB 3.3Å; G59-E62 WeakPolarHBondContact O-CB 3.04Å; G59-E62 PolarHBondContact O-N 3.15Å
60F98.2Very high97.6Very high65 Ų6546.2 Ų46.229%0.28523%0.234SC..Hα-helixtrans-59.3-31.3176.5-172.2-109.3000112.6K11 V55 D56 E62 L63 V71K11-F60 HydrophobicContact CB-CD2 3.86Å; K11-F60 HydrophobicContact CB-CE2 4.28Å; K11-F60 HydrophobicContact CB-CG 4.21Å; K11-F60 HydrophobicContact CG-CB 4.35Å; K11-F60 HydrophobicContact CG-CD1 4.28Å; K11-F60 HydrophobicContact CG-CD2 4.1Å; K11-F60 HydrophobicContact CG-CG 3.97Å; V55-F60 HydrophobicContact CG1-CB 3.91Å; V55-F60 HydrophobicContact CG1-CD2 4.02Å; V55-F60 HydrophobicContact CG1-CG 4.47Å; D56-F60 WeakPolarHBondContact O-CB 3.49Å; D56-F60 PolarHBondContact O-N 3.42Å; F60-E62 PolarHBondContact O-N 3.09Å; F60-L63 HydrophobicContact CD2-CD1 4.07Å; F60-L63 HydrophobicContact CE2-CD1 4.29Å; F60-L63 PolarHBondContact O-N 2.89Å; F60-L63 VanDerWaalsContact O-N 3.16Å; F60-V71 HydrophobicContact CE2-CG1 4.22Å; F60-V71 HydrophobicContact CE2-CG2 4Å; F60-V71 HydrophobicContact CZ-CG1 4.17Å; F60-V71 HydrophobicContact CZ-CG2 3.88Å
61K97.6Very high97.7Very high132 Ų13248.9 Ų48.957%0.57425%0.25SC*.THydrogen-bonded Turntrans-66.6-16176.5-66.1165-169.51730113.5E57 E58 G59 L63E57-K61 WeakPolarHBondContact O-CE 3.48Å; E57-K61 WeakPolarHBondContact O-CG 3.36Å; E58-K61 PolarHBondContact O-N 3.01Å; E58-K61 IonicContact OE1-NZ 3.95Å; E58-K61 PolarHBondContact OE1-NZ 3.33Å; G59-K61 PolarHBondContact O-N 3.1Å; K61-L63 VanDerWaalsContact C-N 3.32Å
62E97.8Very high97.6Very high47 Ų4748.8 Ų48.822%0.2225%0.251CS..THydrogen-bonded Turntrans-82.6-11.5176.9-60-65.8176.400112.8G26 K29 L30 G59 F60G26-E62 WeakPolarHBondContact CA-O 3.5Å; K29-E62 HydrophobicContact CD-CG 4.32Å; K29-E62 WeakPolarHBondContact CD-OE1 3.48Å; K29-E62 WeakPolarHBondContact CD-OE2 3.38Å; K29-E62 WeakPolarHBondContact CE-OE2 3.26Å; K29-E62 IonicContact NZ-OE1 3.97Å; K29-E62 PolarHBondContact NZ-OE1 2.8Å; K29-E62 IonicContact NZ-OE2 3.22Å; K29-E62 PolarHBondContact NZ-OE2 2.97Å; L30-E62 HydrophobicContact CD1-CB 4.37Å; L30-E62 HydrophobicContact CD2-CB 4.18Å; L30-E62 HydrophobicContact CD2-CG 4Å; L30-E62 HydrophobicContact CG-CB 4.22Å; L30-E62 HydrophobicContact CG-CG 4.49Å; G59-E62 VanDerWaalsContact O-CB 3.3Å; G59-E62 WeakPolarHBondContact O-CB 3.04Å; G59-E62 PolarHBondContact O-N 3.15Å; F60-E62 PolarHBondContact O-N 3.09Å
63L97.3Very high97.5Very high19 Ų1956.7 Ų56.710%0.09929%0.293CS..SBendtrans-85.4138.5176-58.1-178.1000110.8L27 L30 I53 F60 K61 I69L27-L63 HydrophobicContact CD2-CD2 3.93Å; L30-L63 HydrophobicContact CD1-CD2 4.46Å; I53-L63 HydrophobicContact CG2-CD1 4.49Å; F60-L63 HydrophobicContact CD2-CD1 4.07Å; F60-L63 HydrophobicContact CE2-CD1 4.29Å; F60-L63 PolarHBondContact O-N 2.89Å; F60-L63 VanDerWaalsContact O-N 3.16Å; K61-L63 VanDerWaalsContact C-N 3.32Å; L63-I69 HydrophobicContact CB-CD1 4.49Å
64P96.6Very high97.4Very high52 Ų5257.7 Ų57.734%0.33830%0.3SS..PPolyproline II helixtrans-71.2156.5177.131.8-35.8000111.2I22 S66 I69I22-P64 HydrophobicContact CD1-CG 4.48Å; P64-S66 PolarHBondContact O-N 3.01Å; P64-I69 HydrophobicContact CG-CD1 4.25Å; P64-I69 VanDerWaalsContact O-CD1 3.31Å; P64-I69 WeakPolarHBondContact O-CD1 3.36Å
65Q94.4Very high97.4Very high204 Ų20458.9 Ų58.995%0.95331%0.307SS*.PPolyproline II helixtrans-75121.4165.4-68.6-177.1-16.800109.1
66S96.1Very high97.4Very high34 Ų3459 Ų5924%0.23831%0.308CS..  trans-154.9150.7179.7179.50000110.8I22 P64 L68 I69I22-S66 VanDerWaalsContact CD1-CB 3.49Å; I22-S66 VanDerWaalsContact CD1-OG 3.22Å; I22-S66 WeakPolarHBondContact CD1-OG 3.47Å; P64-S66 PolarHBondContact O-N 3.01Å; S66-L68 PolarHBondContact O-N 3.24Å; S66-L68 PolarHBondContact OG-N 3.3Å; S66-L68 VanDerWaalsContact OG-N 3.1Å; S66-I69 PolarHBondContact O-N 2.93Å
67N96.3Very high97.3Very high141 Ų14158.7 Ų58.775%0.75431%0.306SS*.THydrogen-bonded Turntrans-72.1-12.2170.464.6-54.1000112.9I69N67-I69 PolarHBondContact O-N 3.36Å
68L97.3Very high97.3Very high32 Ų3254.1 Ų54.117%0.16829%0.285CS..THydrogen-bonded Turntrans-82.93.3174.7-57.6174.5000112.7I15 E16 I22 S66I15-L68 WeakPolarHBondContact CA-O 3.32Å; E16-L68 HydrophobicContact CB-CB 4.45Å; E16-L68 HydrophobicContact CB-CD2 4.49Å; E16-L68 PolarHBondContact N-O 2.64Å; E16-L68 WeakPolarHBondContact OE2-CD2 3.29Å; I22-L68 HydrophobicContact CD1-CD1 4.18Å; S66-L68 PolarHBondContact O-N 3.24Å; S66-L68 PolarHBondContact OG-N 3.3Å; S66-L68 VanDerWaalsContact OG-N 3.1Å
69I98.2Very high97.3Very high24 Ų2451.7 Ų51.712%0.12327%0.273CS..EExtended strand (participates in β ladder)trans-120.9116.1178.2-52.1-179.8000108.7A13 S14 I15 C23 L63 P64 S66 N67 V71A13-I69 HydrophobicContact CB-CG2 4.2Å; S14-I69 CarbonylContact O-C 3.59Å; S14-I69 VanDerWaalsContact O-CA 3.31Å; S14-I69 WeakPolarHBondContact O-CA 3.5Å; I15-I69 HydrophobicContact CG1-CG1 4.24Å; I15-I69 HydrophobicContact CG1-CG2 4.47Å; C23-I69 VanDerWaalsContact SG-CD1 3.58Å; L63-I69 HydrophobicContact CB-CD1 4.49Å; P64-I69 HydrophobicContact CG-CD1 4.25Å; P64-I69 VanDerWaalsContact O-CD1 3.31Å; P64-I69 WeakPolarHBondContact O-CD1 3.36Å; S66-I69 PolarHBondContact O-N 2.93Å; N67-I69 PolarHBondContact O-N 3.36Å; I69-V71 HydrophobicContact CG2-CG2 4.21Å
70S98.3Very high97Very high53 Ų5353 Ų5337%0.37128%0.28SS..EExtended strand (participates in β ladder)trans-96.6136.8170.9-660000109.6A13 S14A13-S70 CarbonylContact C-O 3.56Å; A13-S70 WeakPolarHBondContact CA-O 3.41Å; A13-S70 WeakPolarHBondContact CB-O 3.43Å; S14-S70 PolarHBondContact N-O 3.38Å; S14-S70 PolarHBondContact O-N 2.87Å
71V98.3Very high96.6Very high55 Ų5550.3 Ų50.333%0.33327%0.269SS..EExtended strand (participates in β ladder)trans-123.9133.2-178.6-1720000108.3A13 F60 I69A13-V71 HydrophobicContact CB-CG2 4.15Å; F60-V71 HydrophobicContact CE2-CG1 4.22Å; F60-V71 HydrophobicContact CE2-CG2 4Å; F60-V71 HydrophobicContact CZ-CG1 4.17Å; F60-V71 HydrophobicContact CZ-CG2 3.88Å; I69-V71 HydrophobicContact CG2-CG2 4.21Å
72A97.4Very high95.9Very high6 Ų646.7 Ų46.75%0.0526%0.258CS..  trans-64.5137.3172.700000109.8V12 S74 F276V12-A72 HydrophobicContact CB-CB 4.19Å; V12-A72 WeakPolarHBondContact O-CB 3.47Å; V12-A72 PolarHBondContact O-N 2.68Å; A72-S74 PolarHBondContact O-N 3.21Å; A72-S74 VanDerWaalsContact O-N 3.16Å; A72-F276 HydrophobicContact CB-CD1 4.33Å; A72-F276 HydrophobicContact CB-CD2 4Å; A72-F276 HydrophobicContact CB-CE1 4.11Å; A72-F276 HydrophobicContact CB-CE2 3.77Å; A72-F276 HydrophobicContact CB-CG 4.28Å; A72-F276 HydrophobicContact CB-CZ 3.84Å
73D96.4Very high94.5Very high166 Ų16647.8 Ų47.889%0.88827%0.271SS*.SBendtrans-62.1-28.5-173.8-67.6-24000113.6
74S96.9Very high92.5Very high21 Ų2150.3 Ų50.315%0.14730%0.301CS..SBendtrans-86.3145.4-175.5-62.50000112.5A72 W76 R128A72-S74 PolarHBondContact O-N 3.21Å; A72-S74 VanDerWaalsContact O-N 3.16Å; S74-W76 PolarHBondContact O-NE1 3.16Å; S74-R128 WeakPolarHBondContact OG-CD 3.34Å
75T97.8Very high89.9Confident27 Ų2751 Ų5117%0.16632%0.318CS..  trans-79.9138.5156.5-57.80000108.9K11 E129K11-T75 PolarHBondContact NZ-OG1 3.14Å; T75-E129 PolarHBondContact O-N 2.96Å
76W98.5Very high87.1Confident1 Ų144.9 Ų44.90%0.00431%0.31CS..EExtended strand (participates in β ladder)trans-112.6147.2-177.7-60.579.6000110.8L10 V12 S74 F115 L126 V127 R128 F276L10-W76 HydrophobicContact CB-CB 4.17Å; L10-W76 PolarHBondContact N-O 3.49Å; L10-W76 PolarHBondContact O-N 3.21Å; V12-W76 HydrophobicContact CG2-CG 4.19Å; S74-W76 PolarHBondContact O-NE1 3.16Å; W76-F115 HydrophobicContact CE3-CB 4.21Å; W76-F115 HydrophobicContact CH2-CB 4.24Å; W76-F115 HydrophobicContact CZ3-CB 3.88Å; W76-L126 HydrophobicContact CB-CB 4.27Å; W76-L126 HydrophobicContact CB-CD2 4.18Å; W76-L126 HydrophobicContact CB-CG 4.45Å; W76-L126 HydrophobicContact CE3-CB 3.93Å; W76-V127 CarbonylContact C-O 3.6Å; W76-V127 WeakPolarHBondContact CA-O 3.36Å; W76-R128 HydrophobicContact CD2-CG 4.12Å; W76-R128 HydrophobicContact CE3-CG 3.92Å; W76-R128 HydrophobicContact CH2-CG 3.75Å; W76-R128 HydrophobicContact CZ2-CG 3.92Å; W76-R128 HydrophobicContact CZ3-CG 3.74Å; W76-F276 HydrophobicContact CH2-CB 4.3Å; W76-F276 HydrophobicContact CH2-CD1 4.21Å; W76-F276 HydrophobicContact CZ2-CB 3.97Å; W76-F276 AromaticContact CZ2-CD1 3.66Å; W76-F276 HydrophobicContact CZ2-CD1 3.66Å; W76-F276 HydrophobicContact CZ2-CG 4.13Å
77L98.1Very high84Confident6 Ų649.6 Ų49.63%0.03133%0.332CS..EExtended strand (participates in β ladder)trans-113.6136173.3-59.9176.7000108.5L126 V127 E129 L132L77-L126 VanDerWaalsContact O-CA 3.3Å; L77-L126 WeakPolarHBondContact O-CA 3.45Å; L77-V127 HydrophobicContact CB-CG2 4.3Å; L77-V127 PolarHBondContact N-O 2.92Å; L77-V127 PolarHBondContact O-N 2.68Å; L77-E129 HydrophobicContact CD1-CB 4.21Å; L77-E129 HydrophobicContact CD1-CG 4.14Å; L77-E129 HydrophobicContact CG-CB 4.1Å; L77-E129 HydrophobicContact CG-CG 4.38Å; L77-L132 HydrophobicContact CD1-CB 4.13Å; L77-L132 HydrophobicContact CD1-CD1 4.03Å; L77-L132 HydrophobicContact CD1-CD2 3.7Å; L77-L132 HydrophobicContact CD1-CG 4.15Å
78A97.4Very high81.2Confident0 Ų048.3 Ų48.30%034%0.341CS..EExtended strand (participates in β ladder)trans-86.5129.7174.700000110.9L6 L10 F41 F124 L126L6-A78 HydrophobicContact CB-CB 4.32Å; L6-A78 WeakPolarHBondContact CB-O 3.43Å; L6-A78 HydrophobicContact CD1-CB 3.98Å; L6-A78 HydrophobicContact CG-CB 4.39Å; L6-A78 PolarHBondContact N-O 2.66Å; L10-A78 HydrophobicContact CD1-CB 3.94Å; F41-A78 HydrophobicContact CE2-CB 4.22Å; A78-F124 HydrophobicContact CB-CD1 4.38Å; A78-L126 HydrophobicContact CB-CD1 4.37Å
79L96.2Very high78.2Confident0 Ų051.7 Ų51.70%037%0.368CS..EExtended strand (participates in β ladder)trans-105.4143.8169-45174.2000109L3 H4 I5 I125 V127 V135L3-L79 HydrophobicContact CD1-CB 4.22Å; H4-L79 WeakPolarHBondContact O-CA 3.33Å; I5-L79 HydrophobicContact CB-CD2 4.23Å; I5-L79 HydrophobicContact CG1-CD2 3.71Å; I5-L79 HydrophobicContact CG2-CD2 4.25Å; L79-I125 HydrophobicContact CB-CB 4.25Å; L79-I125 WeakPolarHBondContact CB-O 3.38Å; L79-I125 WeakPolarHBondContact CG-O 3.3Å; L79-I125 PolarHBondContact N-O 2.78Å; L79-I125 PolarHBondContact O-N 2.88Å; L79-V127 HydrophobicContact CD1-CG1 3.74Å; L79-V127 HydrophobicContact CD1-CG2 3.94Å; L79-V127 HydrophobicContact CD2-CG2 4.16Å; L79-V127 HydrophobicContact CG-CG1 4.48Å; L79-V127 HydrophobicContact CG-CG2 4.02Å; L79-V135 HydrophobicContact CD1-CG1 3.73Å
80N92.9Very high75.2Confident28 Ų2854.8 Ų54.815%0.1539%0.391CS..EExtended strand (participates in β ladder)trans-130.5136172.8-172.128.1000110.1H4 L6 T122H4-N80 PolarHBondContact N-O 2.78Å; H4-N80 PolarHBondContact O-N 3.2Å; L6-N80 HydrophobicContact CD1-CB 4.35Å; L6-N80 HydrophobicContact CD2-CB 4.28Å; L6-N80 HydrophobicContact CG-CB 4.46Å; N80-T122 PolarHBondContact OD1-OG1 2.89Å
81V89.5Confident72.3Confident8 Ų857.5 Ų57.55%0.04841%0.41CS..EExtended strand (participates in β ladder)trans-98.3127.9177.31780000108.9L3 I94 I99 V103 I125 F143L3-V81 HydrophobicContact CD1-CG2 3.58Å; V81-I94 HydrophobicContact CG1-CD1 4.5Å; V81-I99 HydrophobicContact CB-CG2 4Å; V81-I99 HydrophobicContact CG1-CG2 4.06Å; V81-I99 HydrophobicContact CG2-CG2 3.93Å; V81-V103 HydrophobicContact CG2-CG2 3.83Å; V81-I125 HydrophobicContact CG2-CD1 4.23Å; V81-F143 HydrophobicContact CG1-CE1 3.8Å; V81-F143 HydrophobicContact CG2-CE1 4.46Å
82V82.8Confident69.8Low57 Ų5761.2 Ų61.235%0.34542%0.424SS..EExtended strand (participates in β ladder)trans-115.7118.9175.6-174.30000108.8E2 G84E2-V82 HydrophobicContact CB-CB 4.44Å; E2-V82 PolarHBondContact N-O 2.68Å; E2-V82 PolarHBondContact O-N 2.78Å; V82-G84 PolarHBondContact O-N 2.79Å
83S68.8Low67.6Low70 Ų7062 Ų6249%0.4943%0.429SS..  trans-81.9111.4173-167.30000109G85S83-G85 PolarHBondContact O-N 3.02Å
84G53.8Low65.9Low71 Ų7155.6 Ų55.673%0.73239%0.394SS*.  trans-74.449.7-173.200000115.4V82V82-G84 PolarHBondContact O-N 2.79Å
85G42.4Very low64.6Low67 Ų6755 Ų5569%0.69139%0.391SS*.  trans-135.396.6-176.500000114.6S83S83-G85 PolarHBondContact O-N 3.02Å
86G34.9Very low63.9Low75 Ų7553.8 Ų53.877%0.77338%0.384SS*.SBendtrans99.7137.6160.500000115.6
87N32.8Very low63.1Low134 Ų13454.4 Ų54.472%0.71739%0.388SS*.  trans-5.1128.2177.1-777.9000117.1S89 S90N87-S89 PolarHBondContact O-N 3.16Å; N87-S90 PolarHBondContact O-N 3.32Å
88A37.7Very low62.6Low114 Ų11460.2 Ų60.294%0.94241%0.413SS*.THydrogen-bonded Turntrans-5714.6177.200000116.6
89S33.8Very low62.3Low103 Ų10360.4 Ų60.472%0.7241%0.414SS*.THydrogen-bonded Turntrans-110.5-0.3-178.659.30000114.4N87N87-S89 PolarHBondContact O-N 3.16Å
90S34.7Very low62Low89 Ų8960.4 Ų60.462%0.62241%0.414SS*.  trans-149.643.1179.169.30000114.5N87 Q92N87-S90 PolarHBondContact O-N 3.32Å; S90-Q92 PolarHBondContact O-N 2.99Å
91S38.1Very low61.9Low110 Ų11065.5 Ų65.577%0.76943%0.434SS*.  trans-69.984.9169.256.70000109.5
92Q45.2Very low61.9Low133 Ų13365.9 Ų65.962%0.62144%0.437SS*.  trans-56.5134.5164.8-73.9-70.7-26.400108.2S90 I94S90-Q92 PolarHBondContact O-N 2.99Å; Q92-I94 PolarHBondContact O-N 2.89Å
93P51.2Low62.5Low22 Ų2263.1 Ų63.114%0.14342%0.421CS..  trans-49.3133.4177.3-25.532.7000110.7G95 K98 Y120P93-G95 PolarHBondContact O-N 2.84Å; P93-K98 PolarHBondContact O-NZ 2.97Å; P93-Y120 WeakPolarHBondContact CG-O 3.35Å
94I59.5Low63.8Low31 Ų3160 Ų6016%0.15940%0.398CS..  trans-81.875.6176.3-57.3177.2000106.6V81 Q92 K98 I99V81-I94 HydrophobicContact CG1-CD1 4.5Å; Q92-I94 PolarHBondContact O-N 2.89Å; I94-K98 HydrophobicContact CB-CD 4.33Å; I94-K98 HydrophobicContact CG2-CB 3.5Å; I94-K98 VanDerWaalsContact CG2-CB 3.5Å; I94-K98 HydrophobicContact CG2-CD 3.79Å; I94-K98 HydrophobicContact CG2-CG 4.31Å; I94-I99 HydrophobicContact CG2-CG2 3.76Å
95G71.1Confident65.7Low9 Ų956.8 Ų56.89%0.09337%0.366CS..  trans-44148.6-18000000113P93 T97 K98 D123P93-G95 PolarHBondContact O-N 2.84Å; G95-T97 PolarHBondContact O-N 3.33Å; G95-K98 WeakPolarHBondContact O-CB 3.49Å; G95-K98 PolarHBondContact O-N 2.91Å; G95-D123 WeakPolarHBondContact CA-OD2 3.49Å
96V82.1Confident68.1Low1 Ų154.6 Ų54.61%0.00634%0.339CS..Hα-helixtrans-49.2-30.3-169.875.30000113.8K98 I99 A100 I104 M116 D123 V282 A296 Y298V96-K98 VanDerWaalsContact C-N 3.33Å; V96-K98 PolarHBondContact O-N 2.78Å; V96-I99 HydrophobicContact CG2-CD1 4.49Å; V96-I99 HydrophobicContact CG2-CG1 4.45Å; V96-I99 WeakPolarHBondContact O-CG1 3.49Å; V96-I99 PolarHBondContact O-N 3.17Å; V96-A100 PolarHBondContact O-N 2.77Å; V96-I104 HydrophobicContact CG2-CG1 4.38Å; V96-M116 HydrophobicContact CB-CE 4.41Å; V96-M116 HydrophobicContact CG2-CE 3.65Å; V96-D123 PolarHBondContact N-OD2 3.26Å; V96-V282 HydrophobicContact CG2-CG1 4.27Å; V96-A296 HydrophobicContact CG1-CB 3.97Å; V96-A296 WeakPolarHBondContact CG1-O 3.38Å; V96-A296 PolarHBondContact N-O 2.78Å; V96-A296 VanDerWaalsContact N-O 3.16Å; V96-Y298 HydrophobicContact CG1-CD2 4.5Å
97T82.9Confident71Confident15 Ų1551 Ų519%0.09230%0.302CS..Hα-helixtrans-70.3-26.9-179.757.20000113.5G95 I99 A100 L289 A290 I294 P295 A296G95-T97 PolarHBondContact O-N 3.33Å; T97-I99 VanDerWaalsContact C-N 3.33Å; T97-A100 WeakPolarHBondContact O-CB 3.36Å; T97-A100 PolarHBondContact O-N 2.77Å; T97-L289 HydrophobicContact CG2-CB 3.69Å; T97-A290 WeakPolarHBondContact O-CB 3.09Å; T97-I294 WeakPolarHBondContact CB-O 3.13Å; T97-I294 WeakPolarHBondContact CG2-O 3.25Å; T97-I294 PolarHBondContact OG1-O 3.48Å; T97-P295 WeakPolarHBondContact OG1-CA 3.46Å; T97-A296 HydrophobicContact CG2-CB 4.02Å
98K87.5Confident73.9Confident127 Ų12745.2 Ų45.255%0.55227%0.273SS*.Hα-helixtrans-69.9-29.8173.1-68.6173.6-178169.60112.5P93 I94 G95 V96P93-K98 PolarHBondContact O-NZ 2.97Å; I94-K98 HydrophobicContact CB-CD 4.33Å; I94-K98 HydrophobicContact CG2-CB 3.5Å; I94-K98 VanDerWaalsContact CG2-CB 3.5Å; I94-K98 HydrophobicContact CG2-CD 3.79Å; I94-K98 HydrophobicContact CG2-CG 4.31Å; G95-K98 WeakPolarHBondContact O-CB 3.49Å; G95-K98 PolarHBondContact O-N 2.91Å; V96-K98 VanDerWaalsContact C-N 3.33Å; V96-K98 PolarHBondContact O-N 2.78Å
99I90.3Very high76.5Confident4 Ų441 Ų412%0.02123%0.234CC..Hα-helixtrans-98-0.2177.759.1165.3000113.3V81 I94 V96 T97 K101 S102 V103 I104 M116 I125V81-I99 HydrophobicContact CB-CG2 4Å; V81-I99 HydrophobicContact CG1-CG2 4.06Å; V81-I99 HydrophobicContact CG2-CG2 3.93Å; I94-I99 HydrophobicContact CG2-CG2 3.76Å; V96-I99 HydrophobicContact CG2-CD1 4.49Å; V96-I99 HydrophobicContact CG2-CG1 4.45Å; V96-I99 WeakPolarHBondContact O-CG1 3.49Å; V96-I99 PolarHBondContact O-N 3.17Å; T97-I99 VanDerWaalsContact C-N 3.33Å; I99-K101 PolarHBondContact O-N 2.82Å; I99-S102 PolarHBondContact O-N 2.81Å; I99-V103 HydrophobicContact CB-CB 4.31Å; I99-V103 HydrophobicContact CB-CG2 4.24Å; I99-V103 PolarHBondContact O-N 2.84Å; I99-I104 HydrophobicContact CD1-CD1 4.15Å; I99-I104 HydrophobicContact CD1-CG1 4.33Å; I99-I104 HydrophobicContact CG1-CG1 4.29Å; I99-I104 PolarHBondContact O-N 2.66Å; I99-I104 VanDerWaalsContact O-N 3.15Å; I99-M116 HydrophobicContact CD1-CE 4.4Å; I99-I125 HydrophobicContact CD1-CD1 3.5Å; I99-I125 HydrophobicContact CD1-CG1 3.89Å
100A90.4Very high79.3Confident0 Ų037.6 Ų37.60%021%0.207CC..Iπ-helixtrans-56-49-176.200000112V96 T97 I104 A105 A290V96-A100 PolarHBondContact O-N 2.77Å; T97-A100 WeakPolarHBondContact O-CB 3.36Å; T97-A100 PolarHBondContact O-N 2.77Å; A100-I104 PolarHBondContact O-N 2.87Å; A100-A105 WeakPolarHBondContact O-CB 3.23Å; A100-A105 PolarHBondContact O-N 3.2Å; A100-A290 HydrophobicContact CB-CB 3.79Å
101K89.8Confident82.1Confident135 Ų13539.3 Ų39.359%0.58721%0.209SC*.Iπ-helixtrans-80.5-31.8-176.1-67.1-178.7179.8174.30113.9I99 P106I99-K101 PolarHBondContact O-N 2.82Å; K101-P106 VanDerWaalsContact O-CD 3.25Å; K101-P106 WeakPolarHBondContact O-CD 3.49Å
102S90.7Very high84.8Confident16 Ų1634.3 Ų34.311%0.11217%0.174CC..Iπ-helixtrans-94-22.5-173.458.90000113.4I99 E142 F143I99-S102 PolarHBondContact O-N 2.81Å; S102-E142 WeakPolarHBondContact CA-OE2 3.49Å; S102-E142 WeakPolarHBondContact CB-OE2 3.49Å; S102-F143 WeakPolarHBondContact O-CE2 3.38Å
103V94.5Very high87.2Confident0 Ų028.2 Ų28.20%015%0.146CC..Iπ-helixtrans-126.2-59.8-178.8-172.60000112.1V81 I99 A105 P106 L107 I125 L139 F143V81-V103 HydrophobicContact CG2-CG2 3.83Å; I99-V103 HydrophobicContact CB-CB 4.31Å; I99-V103 HydrophobicContact CB-CG2 4.24Å; I99-V103 PolarHBondContact O-N 2.84Å; V103-A105 PolarHBondContact O-N 3.24Å; V103-P106 WeakPolarHBondContact O-CD 3.43Å; V103-L107 HydrophobicContact CG1-CD1 3.77Å; V103-L107 HydrophobicContact CG1-CG 4.34Å; V103-L107 WeakPolarHBondContact O-CB 3.49Å; V103-L107 VanDerWaalsContact O-CG 3.23Å; V103-L107 WeakPolarHBondContact O-CG 3.31Å; V103-L107 PolarHBondContact O-N 2.83Å; V103-I125 HydrophobicContact CB-CD1 4.31Å; V103-I125 HydrophobicContact CG1-CD1 3.64Å; V103-L139 HydrophobicContact CG1-CD1 3.94Å; V103-L139 HydrophobicContact CG1-CD2 4.24Å; V103-F143 HydrophobicContact CG2-CE1 4.37Å; V103-F143 HydrophobicContact CG2-CE2 3.86Å; V103-F143 HydrophobicContact CG2-CZ 3.6Å
104I95.6Very high89.4Confident3 Ų328.2 Ų28.22%0.01515%0.145CC..Iπ-helixtrans-62.9-47.3-170.4-54-57.8000111.6V96 I99 A100 L107 A108 M116 I125 V282 A283V96-I104 HydrophobicContact CG2-CG1 4.38Å; I99-I104 HydrophobicContact CD1-CD1 4.15Å; I99-I104 HydrophobicContact CD1-CG1 4.33Å; I99-I104 HydrophobicContact CG1-CG1 4.29Å; I99-I104 PolarHBondContact O-N 2.66Å; I99-I104 VanDerWaalsContact O-N 3.15Å; A100-I104 PolarHBondContact O-N 2.87Å; I104-L107 PolarHBondContact O-N 3.03Å; I104-A108 WeakPolarHBondContact O-CB 3.45Å; I104-A108 PolarHBondContact O-N 2.65Å; I104-M116 HydrophobicContact CD1-CE 4.45Å; I104-M116 HydrophobicContact CD1-SD 3.75Å; I104-I125 HydrophobicContact CD1-CD1 4.45Å; I104-I125 HydrophobicContact CD1-CG1 4.41Å; I104-I125 HydrophobicContact CD1-CG2 4.37Å; I104-V282 HydrophobicContact CD1-CG1 4.43Å; I104-V282 HydrophobicContact CG2-CB 3.89Å; I104-V282 HydrophobicContact CG2-CG1 3.79Å; I104-A283 HydrophobicContact CG2-CB 3.97Å
105A94.2Very high91.2Very high5 Ų527.1 Ų27.14%0.04114%0.14CC..Hα-helixtrans-65.4-49.4179.700000113.1A100 V103 L107 A108 D109 E287A100-A105 WeakPolarHBondContact O-CB 3.23Å; A100-A105 PolarHBondContact O-N 3.2Å; V103-A105 PolarHBondContact O-N 3.24Å; A105-L107 VanDerWaalsContact C-N 3.32Å; A105-L107 PolarHBondContact O-N 3.22Å; A105-A108 WeakPolarHBondContact O-CB 3.2Å; A105-A108 PolarHBondContact O-N 3.22Å; A105-A108 VanDerWaalsContact O-N 3.15Å; A105-D109 PolarHBondContact O-N 2.91Å; A105-E287 HydrophobicContact CB-CG 4.2Å; A105-E287 WeakPolarHBondContact CB-OE1 3.46Å
106P93.9Very high92.5Very high21 Ų2126.7 Ų26.714%0.13614%0.135CC..Hα-helixtrans-57-40.2173.9-30.136.1000114.1K101 V103 D109 H110 T138 L139K101-P106 VanDerWaalsContact O-CD 3.25Å; K101-P106 WeakPolarHBondContact O-CD 3.49Å; V103-P106 WeakPolarHBondContact O-CD 3.43Å; P106-D109 PolarHBondContact O-N 2.64Å; P106-H110 PolarHBondContact O-N 2.97Å; P106-H110 PolarHBondContact O-ND1 3.35Å; P106-T138 HydrophobicContact CB-CG2 3.69Å; P106-T138 WeakPolarHBondContact O-CG2 3.09Å; P106-L139 HydrophobicContact CB-CD2 4.27Å
107L95.1Very high93.3Very high0 Ų026.7 Ų26.70%014%0.135CC..Hα-helixtrans-64.7-42.8176.4-67.8179.8000111.2V103 I104 A105 H110 N111 I112 V114 I125 V127 V135 T138 L139V103-L107 HydrophobicContact CG1-CD1 3.77Å; V103-L107 HydrophobicContact CG1-CG 4.34Å; V103-L107 WeakPolarHBondContact O-CB 3.49Å; V103-L107 VanDerWaalsContact O-CG 3.23Å; V103-L107 WeakPolarHBondContact O-CG 3.31Å; V103-L107 PolarHBondContact O-N 2.83Å; I104-L107 PolarHBondContact O-N 3.03Å; A105-L107 VanDerWaalsContact C-N 3.32Å; A105-L107 PolarHBondContact O-N 3.22Å; L107-H110 CarbonylContact O-C 3.57Å; L107-H110 PolarHBondContact O-N 3.02Å; L107-N111 PolarHBondContact O-N 2.67Å; L107-I112 HydrophobicContact CB-CB 4.2Å; L107-I112 HydrophobicContact CD2-CB 4.4Å; L107-I112 HydrophobicContact CD2-CD1 3.51Å; L107-I112 HydrophobicContact CD2-CG2 4.39Å; L107-I112 WeakPolarHBondContact O-CB 3.27Å; L107-I112 PolarHBondContact O-N 2.82Å; L107-V114 HydrophobicContact CB-CG1 4.27Å; L107-V114 HydrophobicContact CD1-CG1 3.72Å; L107-I125 HydrophobicContact CD1-CG2 4.37Å; L107-V127 HydrophobicContact CD1-CG1 4.39Å; L107-V135 HydrophobicContact CD2-CB 4.35Å; L107-V135 HydrophobicContact CD2-CG1 4.22Å; L107-V135 HydrophobicContact CD2-CG2 4.05Å; L107-T138 HydrophobicContact CD2-CG2 4.23Å; L107-L139 HydrophobicContact CD2-CD1 4.08Å; L107-L139 HydrophobicContact CD2-CD2 4.38Å; L107-L139 HydrophobicContact CD2-CG 4.17Å; L107-L139 HydrophobicContact CG-CD1 4.45Å; L107-L139 HydrophobicContact CG-CD2 4.45Å
108A94.4Very high93.9Very high12 Ų1226.1 Ų26.110%0.09913%0.132CC..Hα-helixtrans-62.8-42.317500000112.7I104 A105 H110 N111 A283I104-A108 WeakPolarHBondContact O-CB 3.45Å; I104-A108 PolarHBondContact O-N 2.65Å; A105-A108 WeakPolarHBondContact O-CB 3.2Å; A105-A108 PolarHBondContact O-N 3.22Å; A105-A108 VanDerWaalsContact O-N 3.15Å; A108-H110 PolarHBondContact O-N 3.35Å; A108-N111 PolarHBondContact O-N 3.17Å; A108-A283 HydrophobicContact CB-CB 3.95Å
109D92.5Very high94.4Very high24 Ų2420.1 Ų20.113%0.12811%0.106CC..Hα-helixtrans-60.2-24.8177-74.1-29.4000113.1A105 P106 P168 R173A105-D109 PolarHBondContact O-N 2.91Å; P106-D109 PolarHBondContact O-N 2.64Å; D109-P168 HydrophobicContact CB-CB 4.1Å; D109-R173 IonicContact OD1-CZ 3.64Å; D109-R173 IonicContact OD1-NH1 2.83Å; D109-R173 PolarHBondContact OD1-NH1 2.88Å; D109-R173 IonicContact OD1-NH2 3.96Å; D109-R173 PolarHBondContact OD1-NH2 3.07Å; D109-R173 IonicContact OD2-NH2 2.64Å
110H91.8Very high94.5Very high32 Ų3222.1 Ų22.115%0.14811%0.114CC..THydrogen-bonded Turntrans-99.911.6176.8-66.583.6000113.3P106 L107 A108 I112 M134 T138P106-H110 PolarHBondContact O-N 2.97Å; P106-H110 PolarHBondContact O-ND1 3.35Å; L107-H110 CarbonylContact O-C 3.57Å; L107-H110 PolarHBondContact O-N 3.02Å; A108-H110 PolarHBondContact O-N 3.35Å; H110-I112 VanDerWaalsContact C-N 3.29Å; H110-I112 HydrophobicContact CB-CD1 4.06Å; H110-I112 HydrophobicContact CB-CG1 4.25Å; H110-I112 PolarHBondContact O-N 2.81Å; H110-M134 HydrophobicContact CB-CG 4.35Å; H110-T138 VanDerWaalsContact CG-OG1 3.29Å; H110-T138 WeakPolarHBondContact ND1-CG2 3.38Å; H110-T138 PolarHBondContact ND1-OG1 3.12Å
111N92.5Very high94.6Very high125 Ų12524.7 Ų24.767%0.66813%0.126SC*.THydrogen-bonded Turntrans55.641.5-178.3-52.6-73.4000113.2L107 A108 C279L107-N111 PolarHBondContact O-N 2.67Å; A108-N111 PolarHBondContact O-N 3.17Å; N111-C279 PolarHBondContact O-SG 3.48Å; N111-C279 VanDerWaalsContact O-SG 3.35Å
112I95.5Very high94.7Very high5 Ų519.3 Ų19.33%0.02610%0.104CC..  trans-97.3116.3172.1-56.7164.2000107.3L107 H110 V127 D131 M134 V135 C279L107-I112 HydrophobicContact CB-CB 4.2Å; L107-I112 HydrophobicContact CD2-CB 4.4Å; L107-I112 HydrophobicContact CD2-CD1 3.51Å; L107-I112 HydrophobicContact CD2-CG2 4.39Å; L107-I112 WeakPolarHBondContact O-CB 3.27Å; L107-I112 PolarHBondContact O-N 2.82Å; H110-I112 VanDerWaalsContact C-N 3.29Å; H110-I112 HydrophobicContact CB-CD1 4.06Å; H110-I112 HydrophobicContact CB-CG1 4.25Å; H110-I112 PolarHBondContact O-N 2.81Å; I112-V127 HydrophobicContact CG2-CG1 4.37Å; I112-D131 HydrophobicContact CG2-CB 4.18Å; I112-M134 HydrophobicContact CD1-CB 4.08Å; I112-M134 HydrophobicContact CD1-CG 3.59Å; I112-M134 HydrophobicContact CG1-CB 4.46Å; I112-M134 HydrophobicContact CG1-CG 3.98Å; I112-V135 HydrophobicContact CD1-CG2 3.99Å; I112-V135 HydrophobicContact CG2-CG2 3.9Å; I112-C279 VanDerWaalsContact C-SG 3.58Å
113S96.1Very high94.8Very high6 Ų618.8 Ų18.84%0.04210%0.1CC..  trans-74.3141173.9-171.10000109.4F276 E278 C279S113-F276 WeakPolarHBondContact CB-O 3.37Å; S113-F276 PolarHBondContact OG-O 2.86Å; S113-E278 PolarHBondContact OG-O 3.46Å; S113-C279 PolarHBondContact N-SG 3.46Å
114V97.8Very high94.9Very high21 Ų2119.5 Ų19.513%0.12710%0.103CC..EExtended strand (participates in β ladder)trans-128.7149-178.3-58.80000109.6L107 I125 L126 V127 V282L107-V114 HydrophobicContact CB-CG1 4.27Å; L107-V114 HydrophobicContact CD1-CG1 3.72Å; V114-I125 HydrophobicContact CB-CG2 4.18Å; V114-I125 HydrophobicContact CG1-CG2 4.12Å; V114-L126 WeakPolarHBondContact CA-O 3.28Å; V114-V127 HydrophobicContact CG1-CG1 4.18Å; V114-V282 HydrophobicContact CG2-CB 4.24Å; V114-V282 HydrophobicContact CG2-CG2 3.83Å
115F97.6Very high95Very high9 Ų919.4 Ų19.44%0.03910%0.102CC..EExtended strand (participates in β ladder)trans-121126.1172.3-162.1-85.5000108.1V12 T52 I54 W76 L126 F276 S300 T301V12-F115 HydrophobicContact CG1-CE1 4.39Å; V12-F115 HydrophobicContact CG1-CE2 4.33Å; V12-F115 HydrophobicContact CG1-CZ 4.02Å; T52-F115 HydrophobicContact CG2-CZ 4.49Å; I54-F115 HydrophobicContact CD1-CD1 3.99Å; I54-F115 HydrophobicContact CD1-CE1 3.61Å; I54-F115 HydrophobicContact CG1-CE1 4.28Å; W76-F115 HydrophobicContact CE3-CB 4.21Å; W76-F115 HydrophobicContact CH2-CB 4.24Å; W76-F115 HydrophobicContact CZ3-CB 3.88Å; F115-L126 HydrophobicContact CB-CB 4.02Å; F115-L126 PolarHBondContact N-O 2.95Å; F115-L126 WeakPolarHBondContact O-CA 3.36Å; F115-L126 VanDerWaalsContact O-CB 3.31Å; F115-L126 WeakPolarHBondContact O-CB 3.43Å; F115-L126 PolarHBondContact O-N 2.88Å; F115-F276 HydrophobicContact CD2-CD1 4.11Å; F115-F276 AromaticContact CD2-CE1 3.97Å; F115-F276 HydrophobicContact CD2-CE1 3.97Å; F115-F276 HydrophobicContact CE2-CD1 4.27Å; F115-F276 AromaticContact CE2-CE1 3.69Å; F115-F276 HydrophobicContact CE2-CE1 3.69Å; F115-S300 VanDerWaalsContact CE1-CB 3.41Å; F115-S300 WeakPolarHBondContact CE1-O 3.39Å; F115-S300 VanDerWaalsContact CZ-CB 3.43Å; F115-S300 WeakPolarHBondContact CZ-O 3.28Å; F115-T301 VanDerWaalsContact CE2-O 3.31Å; F115-T301 WeakPolarHBondContact CE2-O 3.41Å; F115-T301 WeakPolarHBondContact CZ-O 3.38Å
116M97.8Very high95.2Very high0 Ų019.1 Ų19.10%010%0.1CC..EExtended strand (participates in β ladder)trans-100.8136.5-171.8-69.6-63-56.200111.4V96 I99 I104 D123 I125 V282 Y298 S300V96-M116 HydrophobicContact CB-CE 4.41Å; V96-M116 HydrophobicContact CG2-CE 3.65Å; I99-M116 HydrophobicContact CD1-CE 4.4Å; I104-M116 HydrophobicContact CD1-CE 4.45Å; I104-M116 HydrophobicContact CD1-SD 3.75Å; M116-D123 HydrophobicContact CE-CB 4.41Å; M116-I125 HydrophobicContact CE-CG1 4.05Å; M116-I125 HydrophobicContact SD-CB 4.21Å; M116-I125 HydrophobicContact SD-CG1 3.9Å; M116-I125 HydrophobicContact SD-CG2 4.06Å; M116-V282 HydrophobicContact CG-CB 4.38Å; M116-V282 HydrophobicContact CG-CG1 3.7Å; M116-V282 HydrophobicContact CG-CG2 3.79Å; M116-V282 HydrophobicContact SD-CG1 4.37Å; M116-Y298 HydrophobicContact CB-CD1 3.64Å; M116-Y298 HydrophobicContact CB-CE1 4.46Å; M116-Y298 HydrophobicContact CB-CG 4.27Å; M116-Y298 HydrophobicContact CG-CD1 3.99Å; M116-Y298 HydrophobicContact CG-CG 4.45Å; M116-S300 PolarHBondContact N-OG 2.88Å; M116-S300 VanDerWaalsContact N-OG 3.1Å; M116-S300 PolarHBondContact O-N 3.36Å
117L98.3Very high95.4Very high0 Ų018.1 Ų18.10%09%0.094CC..EExtended strand (participates in β ladder)trans-131.293166.9179.769.5000109.5F41 I54 T119 F124 I234 I299F41-L117 HydrophobicContact CE1-CD2 3.92Å; F41-L117 HydrophobicContact CZ-CD2 3.85Å; I54-L117 HydrophobicContact CD1-CB 4.17Å; I54-L117 HydrophobicContact CD1-CD1 4.33Å; I54-L117 HydrophobicContact CD1-CD2 4.21Å; I54-L117 HydrophobicContact CD1-CG 4.46Å; L117-T119 HydrophobicContact CD2-CG2 4.35Å; L117-T119 HydrophobicContact CG-CG2 4.17Å; L117-F124 HydrophobicContact CB-CB 4.33Å; L117-F124 HydrophobicContact CD2-CD2 4.32Å; L117-F124 PolarHBondContact N-O 2.82Å; L117-F124 PolarHBondContact O-N 3.37Å; L117-I234 HydrophobicContact CD2-CD1 3.74Å; L117-I299 HydrophobicContact CD1-CG2 4.4Å
118S96.7Very high95.6Very high3 Ų318.9 Ų18.92%0.02110%0.097CC..EExtended strand (participates in β ladder)trans-72.4132.9164.1-74.80000111.7D123 Y298S118-D123 VanDerWaalsContact CA-OD1 3.28Å; S118-D123 WeakPolarHBondContact CA-OD1 3.41Å; S118-D123 WeakPolarHBondContact CB-OD1 3.24Å; S118-D123 PolarHBondContact OG-OD1 2.93Å; S118-Y298 VanDerWaalsContact CB-N 3.3Å; S118-Y298 VanDerWaalsContact CB-O 3.3Å; S118-Y298 WeakPolarHBondContact CB-O 2.93Å; S118-Y298 PolarHBondContact N-O 2.8Å; S118-Y298 PolarHBondContact OG-N 2.84Å; S118-Y298 PolarHBondContact OG-O 3Å
119T96.1Very high95.7Very high2 Ų222.8 Ų22.81%0.01211%0.113CC..  trans-122.6172.9172.965.40000109.8L117 Q121 T122 F124 I234 S239L117-T119 HydrophobicContact CD2-CG2 4.35Å; L117-T119 HydrophobicContact CG-CG2 4.17Å; T119-Q121 PolarHBondContact O-N 3.05Å; T119-Q121 PolarHBondContact OG1-N 2.86Å; T119-T122 PolarHBondContact N-O 2.87Å; T119-T122 PolarHBondContact OG1-N 2.82Å; T119-T122 VanDerWaalsContact OG1-N 3.07Å; T119-T122 PolarHBondContact OG1-O 2.91Å; T119-F124 HydrophobicContact CG2-CD2 4.04Å; T119-F124 HydrophobicContact CG2-CE2 3.84Å; T119-I234 HydrophobicContact CG2-CD1 4.19Å; T119-S239 WeakPolarHBondContact CA-OG 2.68Å
120Y93.6Very high95.8Very high46 Ų4629.2 Ų29.218%0.1814%0.135CC..SBendtrans-57.7-33.8170.8-177.1-90.6000112.1P93 V188 S190 S239 S258P93-Y120 WeakPolarHBondContact CG-O 3.35Å; Y120-V188 HydrophobicContact CD2-CG1 4.35Å; Y120-S190 VanDerWaalsContact CD1-CB 3.47Å; Y120-S239 PolarHBondContact N-OG 2.97Å; Y120-S258 WeakPolarHBondContact CE2-OG 3.31Å; Y120-S258 VanDerWaalsContact CZ-OG 3.25Å; Y120-S258 WeakPolarHBondContact OH-CA 3.39Å; Y120-S258 PolarHBondContact OH-N 2.9Å; Y120-S258 PolarHBondContact OH-OG 2.78Å
121Q91.4Very high96Very high54 Ų5429 Ų2925%0.25214%0.136SC..SBendtrans-85.7-45.4-174.3-64.375.627.300112.7T119 S190 Y237 I238T119-Q121 PolarHBondContact O-N 3.05Å; T119-Q121 PolarHBondContact OG1-N 2.86Å; Q121-S190 PolarHBondContact NE2-OG 3.3Å; Q121-S190 VanDerWaalsContact NE2-OG 3.08Å; Q121-Y237 HydrophobicContact CG-CD1 4.11Å; Q121-Y237 HydrophobicContact CG-CG 4.17Å; Q121-I238 PolarHBondContact NE2-O 2.5Å
122T92.3Very high96.1Very high22 Ų2224.2 Ų24.214%0.13511%0.109CC..  trans-161.1173.5-175.5-161.20000112.3N80 T119 F124N80-T122 PolarHBondContact OD1-OG1 2.89Å; T119-T122 PolarHBondContact N-O 2.87Å; T119-T122 PolarHBondContact OG1-N 2.82Å; T119-T122 VanDerWaalsContact OG1-N 3.07Å; T119-T122 PolarHBondContact OG1-O 2.91Å; T122-F124 HydrophobicContact CG2-CD1 4.26Å; T122-F124 HydrophobicContact CG2-CD2 4.25Å; T122-F124 HydrophobicContact CG2-CE1 3.77Å; T122-F124 HydrophobicContact CG2-CE2 3.75Å; T122-F124 HydrophobicContact CG2-CG 4.49Å; T122-F124 HydrophobicContact CG2-CZ 3.5Å
123D93.4Very high95.9Very high4 Ų425.8 Ų25.82%0.02112%0.12CC..EExtended strand (participates in β ladder)trans-102.6117.9172.9-64.2-37.3000110.9G95 V96 M116 S118G95-D123 WeakPolarHBondContact CA-OD2 3.49Å; V96-D123 PolarHBondContact N-OD2 3.26Å; M116-D123 HydrophobicContact CE-CB 4.41Å; S118-D123 VanDerWaalsContact CA-OD1 3.28Å; S118-D123 WeakPolarHBondContact CA-OD1 3.41Å; S118-D123 WeakPolarHBondContact CB-OD1 3.24Å; S118-D123 PolarHBondContact OG-OD1 2.93Å
124F97Very high95.8Very high16 Ų1628.1 Ų28.17%0.0713%0.131CC..EExtended strand (participates in β ladder)trans-91.9130.1172.3-59-76.8000110.2L6 F41 A78 L117 T119 T122 L126 I234L6-F124 HydrophobicContact CD1-CD1 3.76Å; L6-F124 HydrophobicContact CD1-CE1 3.55Å; F41-F124 HydrophobicContact CE2-CD1 4.24Å; F41-F124 HydrophobicContact CE2-CD2 4.43Å; F41-F124 HydrophobicContact CE2-CE1 4.37Å; F41-F124 HydrophobicContact CE2-CG 4.27Å; F41-F124 HydrophobicContact CZ-CD2 4.36Å; F41-F124 HydrophobicContact CZ-CG 4.35Å; A78-F124 HydrophobicContact CB-CD1 4.38Å; L117-F124 HydrophobicContact CB-CB 4.33Å; L117-F124 HydrophobicContact CD2-CD2 4.32Å; L117-F124 PolarHBondContact N-O 2.82Å; L117-F124 PolarHBondContact O-N 3.37Å; T119-F124 HydrophobicContact CG2-CD2 4.04Å; T119-F124 HydrophobicContact CG2-CE2 3.84Å; T122-F124 HydrophobicContact CG2-CD1 4.26Å; T122-F124 HydrophobicContact CG2-CD2 4.25Å; T122-F124 HydrophobicContact CG2-CE1 3.77Å; T122-F124 HydrophobicContact CG2-CE2 3.75Å; T122-F124 HydrophobicContact CG2-CG 4.49Å; T122-F124 HydrophobicContact CG2-CZ 3.5Å; F124-L126 HydrophobicContact CB-CD1 3.9Å; F124-I234 HydrophobicContact CD2-CD1 4.1Å; F124-I234 HydrophobicContact CE2-CD1 3.63Å; F124-I234 HydrophobicContact CE2-CG2 4.29Å; F124-I234 HydrophobicContact CZ-CD1 4.3Å; F124-I234 HydrophobicContact CZ-CG2 3.86Å
125I97.9Very high95.6Very high0 Ų027.1 Ų27.10%013%0.125CC..EExtended strand (participates in β ladder)trans-107.9108.5176-49.2157.8000106.5L79 V81 I99 V103 I104 L107 V114 M116L79-I125 HydrophobicContact CB-CB 4.25Å; L79-I125 WeakPolarHBondContact CB-O 3.38Å; L79-I125 WeakPolarHBondContact CG-O 3.3Å; L79-I125 PolarHBondContact N-O 2.78Å; L79-I125 PolarHBondContact O-N 2.88Å; V81-I125 HydrophobicContact CG2-CD1 4.23Å; I99-I125 HydrophobicContact CD1-CD1 3.5Å; I99-I125 HydrophobicContact CD1-CG1 3.89Å; V103-I125 HydrophobicContact CB-CD1 4.31Å; V103-I125 HydrophobicContact CG1-CD1 3.64Å; I104-I125 HydrophobicContact CD1-CD1 4.45Å; I104-I125 HydrophobicContact CD1-CG1 4.41Å; I104-I125 HydrophobicContact CD1-CG2 4.37Å; L107-I125 HydrophobicContact CD1-CG2 4.37Å; V114-I125 HydrophobicContact CB-CG2 4.18Å; V114-I125 HydrophobicContact CG1-CG2 4.12Å; M116-I125 HydrophobicContact CE-CG1 4.05Å; M116-I125 HydrophobicContact SD-CB 4.21Å; M116-I125 HydrophobicContact SD-CG1 3.9Å; M116-I125 HydrophobicContact SD-CG2 4.06Å
126L98.5Very high95.4Very high0 Ų027.2 Ų27.20%013%0.126CC..EExtended strand (participates in β ladder)trans-89.1128.1179.2-78.663.7000109.5L10 V12 I54 W76 L77 A78 V114 F115 F124L10-L126 HydrophobicContact CD1-CD1 4.37Å; L10-L126 HydrophobicContact CD1-CD2 3.74Å; L10-L126 HydrophobicContact CD1-CG 3.93Å; V12-L126 HydrophobicContact CG2-CD2 4.42Å; I54-L126 HydrophobicContact CD1-CD2 4.39Å; I54-L126 HydrophobicContact CG2-CD2 3.69Å; W76-L126 HydrophobicContact CB-CB 4.27Å; W76-L126 HydrophobicContact CB-CD2 4.18Å; W76-L126 HydrophobicContact CB-CG 4.45Å; W76-L126 HydrophobicContact CE3-CB 3.93Å; L77-L126 VanDerWaalsContact O-CA 3.3Å; L77-L126 WeakPolarHBondContact O-CA 3.45Å; A78-L126 HydrophobicContact CB-CD1 4.37Å; V114-L126 WeakPolarHBondContact CA-O 3.28Å; F115-L126 HydrophobicContact CB-CB 4.02Å; F115-L126 PolarHBondContact N-O 2.95Å; F115-L126 WeakPolarHBondContact O-CA 3.36Å; F115-L126 VanDerWaalsContact O-CB 3.31Å; F115-L126 WeakPolarHBondContact O-CB 3.43Å; F115-L126 PolarHBondContact O-N 2.88Å; F124-L126 HydrophobicContact CB-CD1 3.9Å
127V98.3Very high95.1Very high0 Ų030.3 Ų30.30%014%0.14CC..EExtended strand (participates in β ladder)trans-120.7149.3173.8-65.20000109.3W76 L77 L79 L107 I112 V114 E129 V135W76-V127 CarbonylContact C-O 3.6Å; W76-V127 WeakPolarHBondContact CA-O 3.36Å; L77-V127 HydrophobicContact CB-CG2 4.3Å; L77-V127 PolarHBondContact N-O 2.92Å; L77-V127 PolarHBondContact O-N 2.68Å; L79-V127 HydrophobicContact CD1-CG1 3.74Å; L79-V127 HydrophobicContact CD1-CG2 3.94Å; L79-V127 HydrophobicContact CD2-CG2 4.16Å; L79-V127 HydrophobicContact CG-CG1 4.48Å; L79-V127 HydrophobicContact CG-CG2 4.02Å; L107-V127 HydrophobicContact CD1-CG1 4.39Å; I112-V127 HydrophobicContact CG2-CG1 4.37Å; V114-V127 HydrophobicContact CG1-CG1 4.18Å; V127-E129 PolarHBondContact O-N 2.89Å; V127-V135 HydrophobicContact CB-CG2 4.01Å; V127-V135 HydrophobicContact CG1-CG2 3.88Å; V127-V135 HydrophobicContact CG2-CG2 4.09Å
128R97.9Very high94.8Very high15 Ų1530.9 Ų30.96%0.05714%0.143CC..EExtended strand (participates in β ladder)trans-66.5138.6175.4-60.5176.1-66.9-156.40.5109.3S74 W76 R130 D131 F276 D277S74-R128 WeakPolarHBondContact OG-CD 3.34Å; W76-R128 HydrophobicContact CD2-CG 4.12Å; W76-R128 HydrophobicContact CE3-CG 3.92Å; W76-R128 HydrophobicContact CH2-CG 3.75Å; W76-R128 HydrophobicContact CZ2-CG 3.92Å; W76-R128 HydrophobicContact CZ3-CG 3.74Å; R128-R130 HydrophobicContact CB-CG 4.02Å; R128-R130 VanDerWaalsContact CZ-NH2 3.28Å; R128-R130 PolarHBondContact O-N 2.82Å; R128-R130 VanDerWaalsContact O-N 3.16Å; R128-D131 IonicContact CZ-OD2 3.18Å; R128-D131 VanDerWaalsContact CZ-OD2 3.22Å; R128-D131 IonicContact NE-OD2 3.72Å; R128-D131 PolarHBondContact NE-OD2 2.83Å; R128-D131 IonicContact NH2-OD1 3.33Å; R128-D131 IonicContact NH2-OD2 2.93Å; R128-D131 PolarHBondContact NH2-OD2 2.76Å; R128-D131 PolarHBondContact O-N 2.87Å; R128-F276 PolarHBondContact NH1-O 2.98Å; R128-D277 IonicContact CZ-OD1 2.72Å; R128-D277 IonicContact NH1-OD1 3.6Å; R128-D277 PolarHBondContact NH1-OD1 3.31Å
129E96.2Very high94.7Very high95 Ų9530.8 Ų30.844%0.44414%0.143SC..G310 helixtrans-55-38.4-179.6-179.4176.3-158.100112.1T75 L77 V127 D131 L132T75-E129 PolarHBondContact O-N 2.96Å; L77-E129 HydrophobicContact CD1-CB 4.21Å; L77-E129 HydrophobicContact CD1-CG 4.14Å; L77-E129 HydrophobicContact CG-CB 4.1Å; L77-E129 HydrophobicContact CG-CG 4.38Å; V127-E129 PolarHBondContact O-N 2.89Å; E129-D131 PolarHBondContact O-N 2.96Å; E129-L132 VanDerWaalsContact O-CB 3.24Å; E129-L132 WeakPolarHBondContact O-CB 3.4Å; E129-L132 PolarHBondContact O-N 2.81Å; E129-L132 VanDerWaalsContact O-N 3.14Å
130R95.1Very high94.4Very high158 Ų15833 Ų3360%0.59616%0.159SC*.G310 helixtrans-60.6-26.1176.470179.9-178.1-171.4-2.7114.2R128 D277R128-R130 HydrophobicContact CB-CG 4.02Å; R128-R130 VanDerWaalsContact CZ-NH2 3.28Å; R128-R130 PolarHBondContact O-N 2.82Å; R128-R130 VanDerWaalsContact O-N 3.16Å; R130-D277 IonicContact NH2-OD1 3.35Å
131D95.5Very high94Very high29 Ų2935.8 Ų35.816%0.15518%0.184CC..G310 helixtrans-91.4-6.4-177.7-62.3-25000111.9I112 R128 E129 P133 M134 V135I112-D131 HydrophobicContact CG2-CB 4.18Å; R128-D131 IonicContact CZ-OD2 3.18Å; R128-D131 VanDerWaalsContact CZ-OD2 3.22Å; R128-D131 IonicContact NE-OD2 3.72Å; R128-D131 PolarHBondContact NE-OD2 2.83Å; R128-D131 IonicContact NH2-OD1 3.33Å; R128-D131 IonicContact NH2-OD2 2.93Å; R128-D131 PolarHBondContact NH2-OD2 2.76Å; R128-D131 PolarHBondContact O-N 2.87Å; E129-D131 PolarHBondContact O-N 2.96Å; D131-P133 VanDerWaalsContact C-CD 3.46Å; D131-M134 WeakPolarHBondContact O-CB 3.38Å; D131-M134 PolarHBondContact O-N 2.87Å; D131-V135 WeakPolarHBondContact O-CG2 3.2Å; D131-V135 PolarHBondContact O-N 2.92Å
132L94.6Very high93.8Very high23 Ų2338.4 Ų38.412%0.1220%0.197CC..Hα-helixtrans-53.2-41.7-176.4-176.967.5000114.1I5 L77 E129 M134 V135 M136I5-L132 HydrophobicContact CD1-CD1 3.97Å; I5-L132 HydrophobicContact CG1-CD1 4.31Å; I5-L132 HydrophobicContact CG2-CD1 4.4Å; L77-L132 HydrophobicContact CD1-CB 4.13Å; L77-L132 HydrophobicContact CD1-CD1 4.03Å; L77-L132 HydrophobicContact CD1-CD2 3.7Å; L77-L132 HydrophobicContact CD1-CG 4.15Å; E129-L132 VanDerWaalsContact O-CB 3.24Å; E129-L132 WeakPolarHBondContact O-CB 3.4Å; E129-L132 PolarHBondContact O-N 2.81Å; E129-L132 VanDerWaalsContact O-N 3.14Å; L132-M134 VanDerWaalsContact C-N 3.29Å; L132-M134 PolarHBondContact O-N 2.93Å; L132-V135 PolarHBondContact O-N 2.83Å; L132-M136 HydrophobicContact CD1-CG 4.2Å; L132-M136 HydrophobicContact CG-CE 4.12Å; L132-M136 HydrophobicContact CG-CG 4.37Å; L132-M136 HydrophobicContact CG-SD 4.39Å; L132-M136 WeakPolarHBondContact O-CG 3.3Å; L132-M136 PolarHBondContact O-N 3.26Å
133P93Very high93.8Very high38 Ų3837.8 Ų37.825%0.24719%0.192CC..Hα-helixtrans-59.5-39.6176.1-24.935.8000113.2D131 H137 L159 I161D131-P133 VanDerWaalsContact C-CD 3.46Å; P133-H137 WeakPolarHBondContact O-CB 3.49Å; P133-H137 PolarHBondContact O-N 3.03Å; P133-H137 VanDerWaalsContact O-N 3.08Å; P133-L159 HydrophobicContact CG-CD1 4.35Å; P133-I161 HydrophobicContact CB-CD1 4.22Å; P133-I161 HydrophobicContact CG-CD1 4.48Å
134M92.5Very high93.7Very high56 Ų5641.7 Ų41.728%0.27622%0.216SC..Hα-helixtrans-70.2-43.5176.5-172.57571.200110.6H110 I112 D131 L132 M136 H137 T138 F165H110-M134 HydrophobicContact CB-CG 4.35Å; I112-M134 HydrophobicContact CD1-CB 4.08Å; I112-M134 HydrophobicContact CD1-CG 3.59Å; I112-M134 HydrophobicContact CG1-CB 4.46Å; I112-M134 HydrophobicContact CG1-CG 3.98Å; D131-M134 WeakPolarHBondContact O-CB 3.38Å; D131-M134 PolarHBondContact O-N 2.87Å; L132-M134 VanDerWaalsContact C-N 3.29Å; L132-M134 PolarHBondContact O-N 2.93Å; M134-M136 VanDerWaalsContact C-N 3.33Å; M134-M136 PolarHBondContact O-N 3.12Å; M134-H137 WeakPolarHBondContact O-CB 3.32Å; M134-H137 PolarHBondContact O-N 2.78Å; M134-H137 VanDerWaalsContact O-N 3.15Å; M134-T138 WeakPolarHBondContact O-CB 3.44Å; M134-T138 PolarHBondContact O-N 2.71Å; M134-T138 PolarHBondContact O-OG1 3.27Å; M134-F165 HydrophobicContact CE-CD1 3.55Å; M134-F165 HydrophobicContact CE-CE1 3.76Å; M134-F165 HydrophobicContact SD-CD1 3.27Å; M134-F165 WeakPolarHBondContact SD-CD1 3.33Å; M134-F165 HydrophobicContact SD-CE1 3.39Å; M134-F165 WeakPolarHBondContact SD-CE1 3.36Å; M134-F165 HydrophobicContact SD-CG 4.43Å
135V94.8Very high93.5Very high0 Ų041.6 Ų41.60%022%0.216CC..Hα-helixtrans-54.1-49.9175.5171.10000111.1L79 L107 I112 V127 D131 L132 H137 T138 L139L79-V135 HydrophobicContact CD1-CG1 3.73Å; L107-V135 HydrophobicContact CD2-CB 4.35Å; L107-V135 HydrophobicContact CD2-CG1 4.22Å; L107-V135 HydrophobicContact CD2-CG2 4.05Å; I112-V135 HydrophobicContact CD1-CG2 3.99Å; I112-V135 HydrophobicContact CG2-CG2 3.9Å; V127-V135 HydrophobicContact CB-CG2 4.01Å; V127-V135 HydrophobicContact CG1-CG2 3.88Å; V127-V135 HydrophobicContact CG2-CG2 4.09Å; D131-V135 WeakPolarHBondContact O-CG2 3.2Å; D131-V135 PolarHBondContact O-N 2.92Å; L132-V135 PolarHBondContact O-N 2.83Å; V135-H137 VanDerWaalsContact C-N 3.35Å; V135-H137 PolarHBondContact O-N 3.33Å; V135-T138 PolarHBondContact O-N 3.18Å; V135-L139 HydrophobicContact CG1-CD1 3.97Å; V135-L139 WeakPolarHBondContact O-CB 3.47Å; V135-L139 WeakPolarHBondContact O-CG 3.31Å; V135-L139 PolarHBondContact O-N 2.88Å
136M93.5Very high93.3Very high11 Ų1143.6 Ų43.65%0.05423%0.225CC..Hα-helixtrans-62.8-42.2178.6-69.2-172.2-63.900111.5I5 L132 M134 S140 L145 L159I5-M136 HydrophobicContact CD1-CG 4.23Å; I5-M136 HydrophobicContact CD1-SD 4.18Å; L132-M136 HydrophobicContact CD1-CG 4.2Å; L132-M136 HydrophobicContact CG-CE 4.12Å; L132-M136 HydrophobicContact CG-CG 4.37Å; L132-M136 HydrophobicContact CG-SD 4.39Å; L132-M136 WeakPolarHBondContact O-CG 3.3Å; L132-M136 PolarHBondContact O-N 3.26Å; M134-M136 VanDerWaalsContact C-N 3.33Å; M134-M136 PolarHBondContact O-N 3.12Å; M136-S140 WeakPolarHBondContact O-CB 3.43Å; M136-S140 PolarHBondContact O-N 2.98Å; M136-S140 PolarHBondContact O-OG 3.48Å; M136-L145 HydrophobicContact CB-CD1 3.88Å; M136-L145 HydrophobicContact CG-CD1 4.11Å; M136-L145 WeakPolarHBondContact O-CD1 3.31Å; M136-L159 HydrophobicContact CE-CD1 3.61Å; M136-L159 HydrophobicContact CE-CG 3.95Å
137H91.6Very high93.1Very high64 Ų6449.3 Ų49.330%0.29625%0.247SC..Hα-helixtrans-59.7-52.8175.2178.668.7000111.6P133 M134 V135 L139 S140 F165P133-H137 WeakPolarHBondContact O-CB 3.49Å; P133-H137 PolarHBondContact O-N 3.03Å; P133-H137 VanDerWaalsContact O-N 3.08Å; M134-H137 WeakPolarHBondContact O-CB 3.32Å; M134-H137 PolarHBondContact O-N 2.78Å; M134-H137 VanDerWaalsContact O-N 3.15Å; V135-H137 VanDerWaalsContact C-N 3.35Å; V135-H137 PolarHBondContact O-N 3.33Å; H137-L139 VanDerWaalsContact C-N 3.35Å; H137-L139 PolarHBondContact O-N 2.74Å; H137-S140 PolarHBondContact O-N 3.26Å; H137-S140 PolarHBondContact O-OG 2.95Å; H137-F165 HydrophobicContact CB-CD2 4.45Å; H137-F165 HydrophobicContact CB-CE1 4.01Å; H137-F165 HydrophobicContact CB-CE2 3.67Å; H137-F165 HydrophobicContact CB-CZ 3.45Å; H137-F165 VanDerWaalsContact CB-CZ 3.45Å; H137-F165 AromaticContact CD2-CD1 3.82Å; H137-F165 AromaticContact CD2-CD2 3.45Å; H137-F165 VanDerWaalsContact CD2-CD2 3.45Å; H137-F165 WeakPolarHBondContact CD2-CD2 3.5Å; H137-F165 AromaticContact CD2-CE2 3.58Å; H137-F165 AromaticContact CD2-CG 3.54Å; H137-F165 AromaticContact CD2-CZ 3.9Å; H137-F165 AromaticContact CE1-CD2 3.42Å; H137-F165 VanDerWaalsContact CE1-CD2 3.42Å; H137-F165 WeakPolarHBondContact CE1-CD2 2.94Å; H137-F165 AromaticContact CE1-CE2 3.67Å; H137-F165 AromaticContact CG-CD2 3.58Å; H137-F165 AromaticContact CG-CE2 3.21Å; H137-F165 AromaticContact CG-CZ 3.51Å; H137-F165 AromaticContact ND1-CD2 3.57Å; H137-F165 AromaticContact ND1-CE2 3.28Å; H137-F165 VanDerWaalsContact ND1-CE2 3.28Å; H137-F165 WeakPolarHBondContact ND1-CE2 3.47Å; H137-F165 AromaticContact NE2-CD2 3.35Å; H137-F165 WeakPolarHBondContact NE2-CD2 3.33Å; H137-F165 AromaticContact NE2-CE2 3.85Å; H137-F165 AromaticContact NE2-CG 3.61Å
138T91.8Very high92.8Very high12 Ų1250.3 Ų50.37%0.07425%0.253CS..Hα-helixtrans-58.8-40.6-177.6-64.90000112.8P106 L107 H110 M134 V135P106-T138 HydrophobicContact CB-CG2 3.69Å; P106-T138 WeakPolarHBondContact O-CG2 3.09Å; L107-T138 HydrophobicContact CD2-CG2 4.23Å; H110-T138 VanDerWaalsContact CG-OG1 3.29Å; H110-T138 WeakPolarHBondContact ND1-CG2 3.38Å; H110-T138 PolarHBondContact ND1-OG1 3.12Å; M134-T138 WeakPolarHBondContact O-CB 3.44Å; M134-T138 PolarHBondContact O-N 2.71Å; M134-T138 PolarHBondContact O-OG1 3.27Å; V135-T138 PolarHBondContact O-N 3.18Å
139L93.2Very high92.4Very high2 Ų252.4 Ų52.41%0.0127%0.267CS..Hα-helixtrans-96.6-12.1-173.4-58.6178000114L3 V103 P106 L107 V135 H137 S141 E142 F143 L145L3-L139 HydrophobicContact CD2-CB 4.25Å; L3-L139 HydrophobicContact CD2-CD1 3.49Å; L3-L139 VanDerWaalsContact CD2-CD1 3.49Å; V103-L139 HydrophobicContact CG1-CD1 3.94Å; V103-L139 HydrophobicContact CG1-CD2 4.24Å; P106-L139 HydrophobicContact CB-CD2 4.27Å; L107-L139 HydrophobicContact CD2-CD1 4.08Å; L107-L139 HydrophobicContact CD2-CD2 4.38Å; L107-L139 HydrophobicContact CD2-CG 4.17Å; L107-L139 HydrophobicContact CG-CD1 4.45Å; L107-L139 HydrophobicContact CG-CD2 4.45Å; V135-L139 HydrophobicContact CG1-CD1 3.97Å; V135-L139 WeakPolarHBondContact O-CB 3.47Å; V135-L139 WeakPolarHBondContact O-CG 3.31Å; V135-L139 PolarHBondContact O-N 2.88Å; H137-L139 VanDerWaalsContact C-N 3.35Å; H137-L139 PolarHBondContact O-N 2.74Å; L139-S141 PolarHBondContact O-N 3.3Å; L139-S141 VanDerWaalsContact O-N 3.14Å; L139-E142 PolarHBondContact O-N 3.29Å; L139-E142 VanDerWaalsContact O-N 3.17Å; L139-F143 HydrophobicContact CB-CD2 4.25Å; L139-F143 PolarHBondContact O-N 3.21Å; L139-L145 HydrophobicContact CB-CD2 4.39Å
140S91.1Very high92Very high49 Ų4955 Ų5534%0.34328%0.284SS..THydrogen-bonded Turntrans-63.4-18.5-177.560.70000115.2M136 H137M136-S140 WeakPolarHBondContact O-CB 3.43Å; M136-S140 PolarHBondContact O-N 2.98Å; M136-S140 PolarHBondContact O-OG 3.48Å; H137-S140 PolarHBondContact O-N 3.26Å; H137-S140 PolarHBondContact O-OG 2.95Å
141S85.2Confident91.6Very high103 Ų10350 Ų5072%0.7228%0.282SS*.THydrogen-bonded Turntrans-76.6-26.4176.9540000113.5L139L139-S141 PolarHBondContact O-N 3.3Å; L139-S141 VanDerWaalsContact O-N 3.14Å
142E87.1Confident91.3Very high110 Ų11055.2 Ų55.251%0.51431%0.305SS..THydrogen-bonded Turntrans-111.7-22.6-175-64.5-167.4-177.800113.3S102 L139S102-E142 WeakPolarHBondContact CA-OE2 3.49Å; S102-E142 WeakPolarHBondContact CB-OE2 3.49Å; L139-E142 PolarHBondContact O-N 3.29Å; L139-E142 VanDerWaalsContact O-N 3.17Å
143F90.9Very high91.1Very high9 Ų957.7 Ų57.74%0.03932%0.321CS..  trans-122.6138.9-173.4-64.9-93.2000112.3M1 L3 V81 S102 V103 L139 L145M1-F143 HydrophobicContact CB-CD1 3.66Å; M1-F143 HydrophobicContact CB-CE1 3.48Å; M1-F143 VanDerWaalsContact CB-CE1 3.48Å; M1-F143 HydrophobicContact CB-CZ 4.48Å; M1-F143 HydrophobicContact CG-CE1 4.37Å; M1-F143 HydrophobicContact SD-CE1 4.06Å; M1-F143 HydrophobicContact SD-CZ 4.37Å; L3-F143 HydrophobicContact CB-CB 3.89Å; L3-F143 HydrophobicContact CB-CD1 4.03Å; L3-F143 HydrophobicContact CB-CG 4.08Å; V81-F143 HydrophobicContact CG1-CE1 3.8Å; V81-F143 HydrophobicContact CG2-CE1 4.46Å; S102-F143 WeakPolarHBondContact O-CE2 3.38Å; V103-F143 HydrophobicContact CG2-CE1 4.37Å; V103-F143 HydrophobicContact CG2-CE2 3.86Å; V103-F143 HydrophobicContact CG2-CZ 3.6Å; L139-F143 HydrophobicContact CB-CD2 4.25Å; L139-F143 PolarHBondContact O-N 3.21Å; F143-L145 HydrophobicContact CB-CD2 3.82Å; F143-L145 PolarHBondContact O-N 2.9Å
144T92.2Very high91.1Very high85 Ų8559 Ų5952%0.52133%0.328SS..EExtended strand (participates in β ladder)trans-73.5118.8157.9-52.70000107.4M1 E2 L3 F146M1-T144 PolarHBondContact O-N 3.35Å; M1-T144 VanDerWaalsContact O-N 3.15Å; E2-T144 WeakPolarHBondContact CA-O 3.48Å; L3-T144 PolarHBondContact N-O 2.69Å; T144-F146 HydrophobicContact CG2-CD2 4.32Å; T144-F146 HydrophobicContact CG2-CE1 4.47Å; T144-F146 HydrophobicContact CG2-CE2 3.53Å; T144-F146 HydrophobicContact CG2-CZ 3.63Å
145L93.3Very high91.1Very high15 Ų1559 Ų598%0.07934%0.338CS..EExtended strand (participates in β ladder)trans-90.7129.4-175.2-53.1-176.1000110.4L3 M136 L139 F143 A156L3-L145 HydrophobicContact CB-CD2 3.84Å; L3-L145 HydrophobicContact CD2-CD2 3.75Å; L3-L145 HydrophobicContact CG-CD2 4.41Å; M136-L145 HydrophobicContact CB-CD1 3.88Å; M136-L145 HydrophobicContact CG-CD1 4.11Å; M136-L145 WeakPolarHBondContact O-CD1 3.31Å; L139-L145 HydrophobicContact CB-CD2 4.39Å; F143-L145 HydrophobicContact CB-CD2 3.82Å; F143-L145 PolarHBondContact O-N 2.9Å; L145-A156 HydrophobicContact CB-CB 3.88Å; L145-A156 PolarHBondContact O-N 3.46Å
146F94Very high90.7Very high41 Ų4160.1 Ų60.118%0.1835%0.347CS..EExtended strand (participates in β ladder)trans-122.9154.9173.6-65-80.8000110.6E2 L3 H4 I5 T144 T153 V154E2-F146 HydrophobicContact CB-CD2 4.06Å; E2-F146 HydrophobicContact CB-CE2 4.04Å; E2-F146 HydrophobicContact CG-CD2 4.29Å; E2-F146 HydrophobicContact CG-CE2 3.76Å; L3-F146 PolarHBondContact O-N 3.5Å; H4-F146 AromaticContact NE2-CD2 3.92Å; I5-F146 PolarHBondContact N-O 3.24Å; T144-F146 HydrophobicContact CG2-CD2 4.32Å; T144-F146 HydrophobicContact CG2-CE1 4.47Å; T144-F146 HydrophobicContact CG2-CE2 3.53Å; T144-F146 HydrophobicContact CG2-CZ 3.63Å; F146-T153 HydrophobicContact CB-CG2 3.58Å; F146-T153 HydrophobicContact CD1-CG2 3.6Å; F146-T153 HydrophobicContact CE1-CG2 4.42Å; F146-T153 HydrophobicContact CG-CG2 3.67Å; F146-V154 CarbonylContact C-O 3.56Å; F146-V154 VanDerWaalsContact CA-O 3.27Å; F146-V154 WeakPolarHBondContact CA-O 3.41Å
147R93.7Very high89.8Confident121 Ų12167.2 Ų67.246%0.45738%0.379SS..EExtended strand (participates in β ladder)trans-124.1137.6169.9-171.3177.6-171.5-1744.7108.7I5 V149 V154 A156I5-R147 HydrophobicContact CB-CB 4.48Å; I5-R147 HydrophobicContact CB-CG 4.3Å; I5-R147 HydrophobicContact CG2-CG 4.46Å; I5-R147 CarbonylContact O-C 3.58Å; I5-R147 WeakPolarHBondContact O-CA 3.41Å; R147-V149 HydrophobicContact CG-CG2 4.03Å; R147-V154 HydrophobicContact CB-CG2 4.28Å; R147-V154 PolarHBondContact N-O 2.84Å; R147-V154 VanDerWaalsContact O-CG2 3.28Å; R147-V154 WeakPolarHBondContact O-CG2 3.45Å; R147-V154 PolarHBondContact O-N 2.93Å; R147-A156 HydrophobicContact CB-CB 4.42Å
148V91.6Very high88.6Confident20 Ų2067.7 Ų67.712%0.12138%0.384CS..EExtended strand (participates in β ladder)trans-86.4126.5169.7-175.80000108.2I5 L6 E7 E152I5-V148 PolarHBondContact O-N 2.7Å; L6-V148 HydrophobicContact CD2-CG2 4.17Å; E7-V148 HydrophobicContact CB-CB 4.4Å; E7-V148 HydrophobicContact CB-CG1 4.32Å; E7-V148 WeakPolarHBondContact CB-O 3.4Å; E7-V148 HydrophobicContact CG-CG1 4.21Å; V148-E152 CarbonylContact C-O 3.57Å; V148-E152 WeakPolarHBondContact CA-O 3.22Å
149V89.8Confident87.1Confident60 Ų6072.4 Ų72.436%0.36441%0.408SS..EExtended strand (participates in β ladder)trans-134.6116177.6-178.50000108.2R147 G151 E152 V154R147-V149 HydrophobicContact CG-CG2 4.03Å; V149-G151 PolarHBondContact O-N 2.8Å; V149-E152 PolarHBondContact N-O 3.4Å; V149-E152 PolarHBondContact O-N 2.83Å; V149-V154 HydrophobicContact CB-CG2 4.49Å; V149-V154 HydrophobicContact CG2-CG2 3.89Å
150N87.7Confident85.3Confident149 Ų14975.3 Ų75.380%0.79744%0.438SS*.THydrogen-bonded Turntrans55.738.2-175.4-55.9-44.8000112.4E7 E152E7-N150 VanDerWaalsContact OE2-CA 3.29Å; E7-N150 WeakPolarHBondContact OE2-CA 3.49Å; E7-N150 PolarHBondContact OE2-N 3.17Å; N150-E152 PolarHBondContact O-N 3.12Å
151G85.9Confident83.8Confident53 Ų5377.2 Ų77.255%0.54644%0.444SS..THydrogen-bonded Turntrans74.7-0.4-175.200000115.7E7 V149E7-G151 PolarHBondContact OE2-N 3.43Å; V149-G151 PolarHBondContact O-N 2.8Å
152E89.5Confident82.4Confident138 Ų13876.2 Ų76.265%0.64544%0.437SS*.EExtended strand (participates in β ladder)trans-99.8133.2176.7-64-170159.900111.9V148 V149 N150 V154V148-E152 CarbonylContact C-O 3.57Å; V148-E152 WeakPolarHBondContact CA-O 3.22Å; V149-E152 PolarHBondContact N-O 3.4Å; V149-E152 PolarHBondContact O-N 2.83Å; N150-E152 PolarHBondContact O-N 3.12Å; E152-V154 PolarHBondContact O-N 3.02Å
153T91.3Very high80.6Confident76 Ų7678.3 Ų78.347%0.46645%0.452SS..EExtended strand (participates in β ladder)trans-79.2115.7175-54.10000110.3F146F146-T153 HydrophobicContact CB-CG2 3.58Å; F146-T153 HydrophobicContact CD1-CG2 3.6Å; F146-T153 HydrophobicContact CE1-CG2 4.42Å; F146-T153 HydrophobicContact CG-CG2 3.67Å
154V93Very high79.1Confident64 Ų6481.1 Ų81.139%0.38848%0.484SS..EExtended strand (participates in β ladder)trans-118.7149.6176.4-62.30000111.1F146 R147 V149 E152 A156F146-V154 CarbonylContact C-O 3.56Å; F146-V154 VanDerWaalsContact CA-O 3.27Å; F146-V154 WeakPolarHBondContact CA-O 3.41Å; R147-V154 HydrophobicContact CB-CG2 4.28Å; R147-V154 PolarHBondContact N-O 2.84Å; R147-V154 VanDerWaalsContact O-CG2 3.28Å; R147-V154 WeakPolarHBondContact O-CG2 3.45Å; R147-V154 PolarHBondContact O-N 2.93Å; V149-V154 HydrophobicContact CB-CG2 4.49Å; V149-V154 HydrophobicContact CG2-CG2 3.89Å; E152-V154 PolarHBondContact O-N 3.02Å; V154-A156 PolarHBondContact O-N 3.15Å
155A91.6Very high77.8Confident58 Ų5879.5 Ų79.548%0.47947%0.469SS..EExtended strand (participates in β ladder)trans-62.7130176.600000110.7H157A155-H157 PolarHBondContact O-N 3.08Å
156A86.4Confident76.4Confident23 Ų2383.9 Ų83.919%0.1950%0.496CS..  trans-86.3109.6175.100000109.2I5 L145 R147 V154I5-A156 HydrophobicContact CD1-CB 4.3Å; L145-A156 HydrophobicContact CB-CB 3.88Å; L145-A156 PolarHBondContact O-N 3.46Å; R147-A156 HydrophobicContact CB-CB 4.42Å; V154-A156 PolarHBondContact O-N 3.15Å
157H75.9Confident75Confident159 Ų15990.7 Ų90.774%0.73653%0.526SS*.  trans-78132.3175.3-63.3-67.7000110.5A155 L159A155-H157 PolarHBondContact O-N 3.08Å; H157-L159 PolarHBondContact O-N 3.47Å
158N65.1Low73.6Confident75 Ų7588.5 Ų88.540%0.40153%0.527SS..  trans-61.6125.8175.6-162.2-21.7000109.1G160N158-G160 PolarHBondContact O-N 3.03Å
159L61.2Low72.3Confident111 Ų11194.7 Ų94.758%0.58155%0.552SS**  trans-66.46.1-172-74.5167.5000114.4P133 M136 H157 I161P133-L159 HydrophobicContact CG-CD1 4.35Å; M136-L159 HydrophobicContact CE-CD1 3.61Å; M136-L159 HydrophobicContact CE-CG 3.95Å; H157-L159 PolarHBondContact O-N 3.47Å; L159-I161 HydrophobicContact CB-CD1 4.24Å; L159-I161 HydrophobicContact CB-CG1 4.21Å; L159-I161 PolarHBondContact O-N 2.82Å
160G54.7Low71.2Confident62 Ų6299.5 Ų99.564%0.63958%0.575SS**  trans66.78.4175.700000114.4N158 S162N158-G160 PolarHBondContact O-N 3.03Å; G160-S162 VanDerWaalsContact C-N 3.33Å; G160-S162 PolarHBondContact O-N 3.38Å
161I59.5Low70.3Confident90 Ų9096.2 Ų96.246%0.46256%0.56SS.*  trans-77.984.5176.5-55.5174.1000106.6P133 L159 F165P133-I161 HydrophobicContact CB-CD1 4.22Å; P133-I161 HydrophobicContact CG-CD1 4.48Å; L159-I161 HydrophobicContact CB-CD1 4.24Å; L159-I161 HydrophobicContact CB-CG1 4.21Å; L159-I161 PolarHBondContact O-N 2.82Å; I161-F165 WeakPolarHBondContact O-CE2 3.45Å; I161-F165 WeakPolarHBondContact O-CZ 3.38Å
162S55.7Low69.9Low82 Ų8298.5 Ų98.557%0.57357%0.566SS**  trans-99.6-8.4179.361.30000114.1G160 G164G160-S162 VanDerWaalsContact C-N 3.33Å; G160-S162 PolarHBondContact O-N 3.38Å; S162-G164 PolarHBondContact O-N 2.99Å
163N48.7Very low69.8Low153 Ų15394 Ų9482%0.81854%0.543SS*.THydrogen-bonded Turntrans-83.9116.3-174.6-75.9-10.2000110.5
164G59.4Low69.7Low69 Ų6992.9 Ų92.971%0.71154%0.537SS*.THydrogen-bonded Turntrans104.63.517400000115.5S162 V166S162-G164 PolarHBondContact O-N 2.99Å; G164-V166 PolarHBondContact O-N 3.37Å
165F65.4Low69.6Low50 Ų5091.9 Ų91.922%0.21953%0.529CS..PPolyproline II helixtrans-68.2119.4173.9-66.3-49.2000111.5M134 H137 I161M134-F165 HydrophobicContact CE-CD1 3.55Å; M134-F165 HydrophobicContact CE-CE1 3.76Å; M134-F165 HydrophobicContact SD-CD1 3.27Å; M134-F165 WeakPolarHBondContact SD-CD1 3.33Å; M134-F165 HydrophobicContact SD-CE1 3.39Å; M134-F165 WeakPolarHBondContact SD-CE1 3.36Å; M134-F165 HydrophobicContact SD-CG 4.43Å; H137-F165 HydrophobicContact CB-CD2 4.45Å; H137-F165 HydrophobicContact CB-CE1 4.01Å; H137-F165 HydrophobicContact CB-CE2 3.67Å; H137-F165 HydrophobicContact CB-CZ 3.45Å; H137-F165 VanDerWaalsContact CB-CZ 3.45Å; H137-F165 AromaticContact CD2-CD1 3.82Å; H137-F165 AromaticContact CD2-CD2 3.45Å; H137-F165 VanDerWaalsContact CD2-CD2 3.45Å; H137-F165 WeakPolarHBondContact CD2-CD2 3.5Å; H137-F165 AromaticContact CD2-CE2 3.58Å; H137-F165 AromaticContact CD2-CG 3.54Å; H137-F165 AromaticContact CD2-CZ 3.9Å; H137-F165 AromaticContact CE1-CD2 3.42Å; H137-F165 VanDerWaalsContact CE1-CD2 3.42Å; H137-F165 WeakPolarHBondContact CE1-CD2 2.94Å; H137-F165 AromaticContact CE1-CE2 3.67Å; H137-F165 AromaticContact CG-CD2 3.58Å; H137-F165 AromaticContact CG-CE2 3.21Å; H137-F165 AromaticContact CG-CZ 3.51Å; H137-F165 AromaticContact ND1-CD2 3.57Å; H137-F165 AromaticContact ND1-CE2 3.28Å; H137-F165 VanDerWaalsContact ND1-CE2 3.28Å; H137-F165 WeakPolarHBondContact ND1-CE2 3.47Å; H137-F165 AromaticContact NE2-CD2 3.35Å; H137-F165 WeakPolarHBondContact NE2-CD2 3.33Å; H137-F165 AromaticContact NE2-CE2 3.85Å; H137-F165 AromaticContact NE2-CG 3.61Å; I161-F165 WeakPolarHBondContact O-CE2 3.45Å; I161-F165 WeakPolarHBondContact O-CZ 3.38Å
166V63.8Low69.6Low107 Ų10794.1 Ų94.165%0.64853%0.532SS*.PPolyproline II helixtrans-77.9136.3175-175.30000107.9G164G164-V166 PolarHBondContact O-N 3.37Å
167K65.2Low70Confident185 Ų18594.5 Ų94.580%0.80453%0.53SS*.PPolyproline II helixtrans-58.5140.5173.7-75.5-175.4175.6-177.50110.1K169K167-K169 PolarHBondContact O-N 3Å
168P64.3Low70.9Confident74 Ų7490.6 Ų90.648%0.48152%0.518SS..PPolyproline II helixtrans-55.9132.4176.120.6-30.3000109.5D109D109-P168 HydrophobicContact CB-CB 4.1Å
169K63.2Low72.3Confident150 Ų15090 Ų9065%0.65252%0.515SS*.  trans-94.7112.7166.8-70.7-177.4-179.3176.60106.1K167 V171K167-K169 PolarHBondContact O-N 3Å; K169-V171 VanDerWaalsContact C-N 3.34Å; K169-V171 HydrophobicContact CB-CG2 3.68Å; K169-V171 WeakPolarHBondContact O-CG2 3.5Å; K169-V171 PolarHBondContact O-N 2.84Å
170L67.7Low73.8Confident161 Ų16187.7 Ų87.784%0.84351%0.508SS*.  trans-68.897.9167.9-141.799.2000106.7
171V68.4Low75.6Confident80 Ų8087.9 Ų87.949%0.48550%0.5SS..  trans-106.4132.1-178.7-166.80000108.3K169 R173K169-V171 VanDerWaalsContact C-N 3.34Å; K169-V171 HydrophobicContact CB-CG2 3.68Å; K169-V171 WeakPolarHBondContact O-CG2 3.5Å; K169-V171 PolarHBondContact O-N 2.84Å; V171-R173 PolarHBondContact O-N 2.71Å
172P78.6Confident77.3Confident102 Ų10284.4 Ų84.466%0.66248%0.483SS*.  trans-51.5130.8164-23.933.6000109.8P174P172-P174 VanDerWaalsContact C-CD 3.43Å; P172-P174 WeakPolarHBondContact O-CD 3.28Å
173R85.9Confident79.1Confident44 Ų4482.4 Ų82.417%0.16647%0.469CS..  trans-111.878.2-178.3-80.2-177.1-85.7-89.42.4109.7D109 V171 Q284 E287D109-R173 IonicContact OD1-CZ 3.64Å; D109-R173 IonicContact OD1-NH1 2.83Å; D109-R173 PolarHBondContact OD1-NH1 2.88Å; D109-R173 IonicContact OD1-NH2 3.96Å; D109-R173 PolarHBondContact OD1-NH2 3.07Å; D109-R173 IonicContact OD2-NH2 2.64Å; V171-R173 PolarHBondContact O-N 2.71Å; R173-Q284 HydrophobicContact CB-CG 3.97Å; R173-E287 IonicContact CZ-OE1 3.59Å; R173-E287 IonicContact CZ-OE2 3.55Å; R173-E287 IonicContact NE-OE1 2.76Å; R173-E287 IonicContact NE-OE2 3.51Å; R173-E287 PolarHBondContact NE-OE2 3.34Å; R173-E287 IonicContact NH2-OE1 2.81Å; R173-E287 PolarHBondContact NH2-OE1 3.34Å; R173-E287 IonicContact NH2-OE2 3.35Å
174P89.1Confident81.2Confident52 Ų5275.3 Ų75.334%0.33843%0.431SS..  trans-62.7148.6173.227.6-34.1000109.9P172 I176 Q284 E324P172-P174 VanDerWaalsContact C-CD 3.43Å; P172-P174 WeakPolarHBondContact O-CD 3.28Å; P174-I176 HydrophobicContact CG-CG2 4.21Å; P174-I176 PolarHBondContact O-N 3.08Å; P174-Q284 WeakPolarHBondContact O-CG 3.39Å; P174-Q284 PolarHBondContact O-OE1 3.45Å; P174-E324 WeakPolarHBondContact CA-OE2 3.19Å; P174-E324 HydrophobicContact CB-CB 4.34Å; P174-E324 VanDerWaalsContact CB-OE2 3.25Å; P174-E324 WeakPolarHBondContact CB-OE2 3.17Å
175I91.4Very high82.9Confident42 Ų4273.2 Ų73.222%0.21540%0.403CS..  trans-70.8111.6171.2-64.9161.4000107.6L179 Q284 I285 L321I175-L179 HydrophobicContact CG2-CD1 4.07Å; I175-L179 HydrophobicContact CG2-CD2 4.18Å; I175-L179 HydrophobicContact CG2-CG 4.12Å; I175-Q284 HydrophobicContact CG1-CB 4.18Å; I175-Q284 WeakPolarHBondContact CG1-O 3.34Å; I175-I285 HydrophobicContact CD1-CD1 4.46Å; I175-I285 HydrophobicContact CG1-CD1 4.33Å; I175-I285 HydrophobicContact CG2-CD1 4.46Å; I175-L321 HydrophobicContact CD1-CB 3.84Å; I175-L321 HydrophobicContact CD1-CD2 3.69Å; I175-L321 HydrophobicContact CD1-CG 4.36Å; I175-L321 WeakPolarHBondContact CD1-O 3.39Å
176I92.6Very high84.4Confident106 Ų10670.9 Ų70.954%0.54439%0.392SS..  trans-102.4-22.7-178.263.8179.2000113P174P174-I176 HydrophobicContact CG-CG2 4.21Å; P174-I176 PolarHBondContact O-N 3.08Å
177H94.2Very high85.9Confident31 Ų3166.6 Ų66.614%0.14437%0.367CS..SBendtrans-86.8136.9179-69.8-68.4000110.7I269 L274 E278H177-I269 HydrophobicContact CB-CG2 3.8Å; H177-L274 VanDerWaalsContact CE1-CD2 3.45Å; H177-L274 WeakPolarHBondContact CE1-CD2 3.42Å; H177-L274 WeakPolarHBondContact ND1-CD2 3.36Å; H177-E278 IonicContact CD2-OE1 2.76Å; H177-E278 IonicContact CE1-OE1 2.64Å; H177-E278 IonicContact CE1-OE2 2.77Å; H177-E278 PolarHBondContact CE1-OE2 2.97Å; H177-E278 VanDerWaalsContact NE2-CD 3.25Å; H177-E278 IonicContact NE2-OE1 3.58Å; H177-E278 PolarHBondContact NE2-OE1 3.26Å; H177-E278 IonicContact NE2-OE2 3.39Å; H177-E278 PolarHBondContact NE2-OE2 3.21Å
178P94.4Very high87.3Confident76 Ų7658.2 Ų58.249%0.49433%0.332SS..  trans-63.9142.6176.629.3-34.8000109.6G270 G271P178-G270 PolarHBondContact O-N 2.8Å; P178-G271 VanDerWaalsContact CG-CA 3.49Å; P178-G271 VanDerWaalsContact CG-N 3.28Å
179L94.6Very high88.7Confident63 Ų6354.8 Ų54.833%0.3331%0.309SS..EExtended strand (participates in β ladder)trans-108.7139179.4-52.5-177.7000109.2I175 V267 R268 I269 I285 L321I175-L179 HydrophobicContact CG2-CD1 4.07Å; I175-L179 HydrophobicContact CG2-CD2 4.18Å; I175-L179 HydrophobicContact CG2-CG 4.12Å; L179-V267 HydrophobicContact CB-CG1 4.09Å; L179-V267 HydrophobicContact CD1-CG1 4.27Å; L179-V267 HydrophobicContact CD2-CG1 4.28Å; L179-V267 HydrophobicContact CG-CG1 4.46Å; L179-R268 WeakPolarHBondContact CA-O 3.4Å; L179-I269 HydrophobicContact CD2-CB 4.09Å; L179-I269 HydrophobicContact CD2-CG1 3.59Å; L179-I269 HydrophobicContact CD2-CG2 3.97Å; L179-I285 HydrophobicContact CD1-CD1 4.44Å; L179-I285 HydrophobicContact CD2-CD1 3.85Å; L179-L321 HydrophobicContact CD1-CB 3.86Å; L179-L321 HydrophobicContact CD1-CD1 3.94Å; L179-L321 HydrophobicContact CD1-CG 4.44Å
180S92.7Very high90.3Very high62 Ų6248.4 Ų48.443%0.43428%0.283SS..EExtended strand (participates in β ladder)trans-129.9148.617160.80000110V267 R268S180-V267 CarbonylContact O-C 3.54Å; S180-V267 WeakPolarHBondContact O-CA 3.4Å; S180-R268 PolarHBondContact N-O 3.42Å; S180-R268 PolarHBondContact O-N 3.17Å
181S93.2Very high91.5Very high67 Ų6740.8 Ų40.847%0.46924%0.244SC..  trans-127.5102.8177.4-170.20000108.8M266S181-M266 WeakPolarHBondContact CA-O 3.49Å; S181-M266 WeakPolarHBondContact CB-O 3.2Å; S181-M266 PolarHBondContact OG-O 2.82Å
182P93.9Very high92.7Very high16 Ų1640 Ų4010%0.10424%0.237CC..  trans-66.5156.1174.129.7-34.8000110.2N184 S224 I226 M266P182-N184 VanDerWaalsContact C-N 3.26Å; P182-N184 PolarHBondContact O-N 3.29Å; P182-S224 CarbonylContact C-O 3.44Å; P182-S224 VanDerWaalsContact CA-O 3.32Å; P182-S224 WeakPolarHBondContact CA-O 3.35Å; P182-S224 WeakPolarHBondContact CB-O 3.42Å; P182-I226 HydrophobicContact CB-CB 3.88Å; P182-I226 HydrophobicContact CB-CG2 3.72Å; P182-I226 HydrophobicContact CG-CB 4.11Å; P182-I226 HydrophobicContact CG-CG2 3.51Å; P182-M266 HydrophobicContact CG-CB 3.99Å; P182-M266 HydrophobicContact CG-CG 4.25Å; P182-M266 HydrophobicContact CG-SD 4.09Å
183S93.4Very high93.3Very high40 Ų4038 Ų3828%0.2822%0.224SC..SBendtrans-76.9-9.9-174.961.40000114S224 H225 K265S183-S224 WeakPolarHBondContact CB-OG 3.45Å; S183-S224 PolarHBondContact N-O 2.69Å; S183-S224 VanDerWaalsContact OG-C 3.24Å; S183-S224 VanDerWaalsContact OG-CB 3.24Å; S183-S224 WeakPolarHBondContact OG-CB 3.43Å; S183-S224 PolarHBondContact OG-O 3.15Å; S183-S224 PolarHBondContact OG-OG 2.99Å; S183-H225 PolarHBondContact OG-CE1 3.02Å; S183-H225 PolarHBondContact OG-ND1 3.14Å; S183-K265 PolarHBondContact O-NZ 3.13Å
184N94.6Very high93.5Very high5 Ų542.8 Ų42.83%0.02725%0.253CS..  trans-50.2150.5176.5-57.268.6000112P182 F186 H225 I226 K265P182-N184 VanDerWaalsContact C-N 3.26Å; P182-N184 PolarHBondContact O-N 3.29Å; N184-F186 HydrophobicContact CB-CD2 4.04Å; N184-F186 HydrophobicContact CB-CE1 4.33Å; N184-F186 HydrophobicContact CB-CE2 3.42Å; N184-F186 VanDerWaalsContact CB-CE2 3.42Å; N184-F186 HydrophobicContact CB-CZ 3.59Å; N184-H225 PolarHBondContact ND2-CD2 3.02Å; N184-H225 WeakPolarHBondContact OD1-CA 3.45Å; N184-I226 PolarHBondContact ND2-O 3.49Å; N184-I226 PolarHBondContact OD1-N 2.91Å; N184-K265 WeakPolarHBondContact O-CD 3.5Å; N184-K265 PolarHBondContact O-NZ 3.18Å
185M95.1Very high93.7Very high25 Ų2542.2 Ų42.212%0.12325%0.248CC..  trans-104130.9158.5-61.6-49.1-54.600108D243 E244 L263 K265 E311M185-D243 CarbonylContact O-C 3.57Å; M185-D243 VanDerWaalsContact O-CA 3.24Å; M185-D243 WeakPolarHBondContact O-CA 3.47Å; M185-E244 HydrophobicContact CB-CB 4.22Å; M185-E244 PolarHBondContact O-N 2.85Å; M185-L263 HydrophobicContact CB-CB 4.34Å; M185-L263 HydrophobicContact CB-CD1 4.06Å; M185-L263 HydrophobicContact CB-CD2 4.34Å; M185-L263 HydrophobicContact CB-CG 4.5Å; M185-L263 HydrophobicContact CE-CB 3.37Å; M185-L263 HydrophobicContact CE-CD1 4.16Å; M185-L263 HydrophobicContact CE-CG 4.38Å; M185-L263 HydrophobicContact CG-CD1 4.2Å; M185-K265 HydrophobicContact CE-CD 4.16Å; M185-K265 HydrophobicContact CE-CG 4.27Å; M185-K265 HydrophobicContact SD-CD 3.64Å; M185-K265 WeakPolarHBondContact SD-CE 3.47Å; M185-K265 HydrophobicContact SD-CG 4.35Å; M185-K265 PolarHBondContact SD-NZ 3.25Å; M185-E311 HydrophobicContact CE-CB 3.59Å; M185-E311 VanDerWaalsContact CE-CD 3.4Å; M185-E311 HydrophobicContact CE-CG 3.47Å; M185-E311 VanDerWaalsContact CE-CG 3.47Å; M185-E311 VanDerWaalsContact CE-OE2 3.28Å; M185-E311 WeakPolarHBondContact CE-OE2 3.49Å; M185-E311 HydrophobicContact SD-CG 4.23Å
186F96.1Very high93.8Very high0 Ų041 Ų410%024%0.242CC..EExtended strand (participates in β ladder)trans-109.1147-179.9-68.8-81.2000111.7N184 I226 F228 V241 M242 D243 L263 W264 M266 L308N184-F186 HydrophobicContact CB-CD2 4.04Å; N184-F186 HydrophobicContact CB-CE1 4.33Å; N184-F186 HydrophobicContact CB-CE2 3.42Å; N184-F186 VanDerWaalsContact CB-CE2 3.42Å; N184-F186 HydrophobicContact CB-CZ 3.59Å; F186-I226 HydrophobicContact CE2-CG2 4.48Å; F186-I226 HydrophobicContact CZ-CG2 3.86Å; F186-F228 HydrophobicContact CE1-CB 3.8Å; F186-F228 HydrophobicContact CE1-CD1 4.07Å; F186-F228 HydrophobicContact CE1-CG 4.34Å; F186-F228 HydrophobicContact CZ-CB 3.94Å; F186-V241 HydrophobicContact CD1-CG1 4.39Å; F186-M242 CarbonylContact C-O 3.53Å; F186-M242 WeakPolarHBondContact CA-O 3.23Å; F186-D243 HydrophobicContact CD1-CB 4.41Å; F186-D243 HydrophobicContact CE1-CB 4.27Å; F186-L263 WeakPolarHBondContact O-CA 3.36Å; F186-W264 HydrophobicContact CB-CB 4.31Å; F186-W264 PolarHBondContact N-O 3.42Å; F186-W264 PolarHBondContact O-N 3.26Å; F186-M266 HydrophobicContact CD2-CB 3.96Å; F186-M266 HydrophobicContact CD2-CE 4.31Å; F186-M266 HydrophobicContact CE1-CE 4.3Å; F186-M266 HydrophobicContact CE2-CB 3.61Å; F186-M266 HydrophobicContact CE2-CE 3.74Å; F186-M266 HydrophobicContact CE2-SD 4.17Å; F186-M266 HydrophobicContact CZ-CE 3.75Å; F186-M266 HydrophobicContact CZ-SD 4.33Å; F186-L308 HydrophobicContact CB-CD2 4.22Å; F186-L308 HydrophobicContact CD2-CD2 4Å; F186-L308 HydrophobicContact CG-CD2 4.17Å
187C94.7Very high93.9Very high18 Ų1840.8 Ų40.812%0.12225%0.247CC..EExtended strand (participates in β ladder)trans-110.2135.5169.9-57.20000108.7T189 V241 M242 A247 L263C187-T189 HydrophobicContact CB-CG2 3.89Å; C187-V241 WeakPolarHBondContact O-CA 3.43Å; C187-M242 PolarHBondContact N-O 2.93Å; C187-M242 PolarHBondContact O-N 3.24Å; C187-A247 HydrophobicContact CB-CB 4.42Å; C187-L263 VanDerWaalsContact SG-CD2 3.5Å
188V94.9Very high94Very high9 Ų943 Ų436%0.05527%0.267CS..EExtended strand (participates in β ladder)trans-105.8115.6167.2-175.20000107.3Y120 V241 W264 Y297 L308Y120-V188 HydrophobicContact CD2-CG1 4.35Å; V188-V241 HydrophobicContact CG1-CG2 4.25Å; V188-V241 HydrophobicContact CG2-CG1 4.46Å; V188-V241 HydrophobicContact CG2-CG2 4.1Å; V188-W264 HydrophobicContact CG2-CG 4.4Å; V188-Y297 HydrophobicContact CB-CD2 4.41Å; V188-Y297 HydrophobicContact CB-CE2 3.97Å; V188-Y297 HydrophobicContact CG1-CD2 4.5Å; V188-Y297 HydrophobicContact CG1-CE1 4.31Å; V188-Y297 HydrophobicContact CG1-CE2 4.09Å; V188-Y297 HydrophobicContact CG2-CD2 3.73Å; V188-Y297 HydrophobicContact CG2-CE2 3.77Å; V188-Y297 HydrophobicContact CG2-CG 4.43Å; V188-L308 HydrophobicContact CG2-CD1 3.89Å
189T94.9Very high94.1Very high2 Ų239.5 Ų39.51%0.01224%0.244CC..EExtended strand (participates in β ladder)trans-137.1161.6-168.8640000111.8C187 L240 F256 T257C187-T189 HydrophobicContact CB-CG2 3.89Å; T189-L240 PolarHBondContact N-O 2.89Å; T189-L240 PolarHBondContact O-N 3.34Å; T189-F256 CarbonylContact C-O 3.51Å; T189-F256 VanDerWaalsContact CA-O 3.24Å; T189-F256 WeakPolarHBondContact CA-O 3.5Å; T189-F256 WeakPolarHBondContact CB-O 3.32Å; T189-T257 HydrophobicContact CG2-CG2 3.87Å
190S95.2Very high94.2Very high15 Ų1537.2 Ų37.211%0.10523%0.234CC..EExtended strand (participates in β ladder)trans-118.3165.8170-172.50000110.6Y120 Q121 I238 F256Y120-S190 VanDerWaalsContact CD1-CB 3.47Å; Q121-S190 PolarHBondContact NE2-OG 3.3Å; Q121-S190 VanDerWaalsContact NE2-OG 3.08Å; S190-I238 WeakPolarHBondContact CA-O 3.14Å; S190-I238 WeakPolarHBondContact CB-O 3.12Å; S190-I238 PolarHBondContact OG-O 3.19Å; S190-F256 PolarHBondContact N-O 2.81Å; S190-F256 PolarHBondContact O-N 2.9Å
191L94.1Very high94.4Very high2 Ų239.8 Ų39.81%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-136.7137.8-179.6-17968.8000107.9P193 T195 L196 V199 L203 I238 L240 V254L191-P193 WeakPolarHBondContact O-CD 3.49Å; L191-T195 WeakPolarHBondContact CD1-OG1 3.39Å; L191-L196 HydrophobicContact CD2-CB 4.19Å; L191-L196 HydrophobicContact CD2-CD1 3.7Å; L191-V199 HydrophobicContact CD1-CG2 4.28Å; L191-V199 HydrophobicContact CD2-CG2 3.71Å; L191-L203 HydrophobicContact CD2-CD1 4.32Å; L191-I238 HydrophobicContact CB-CB 4.1Å; L191-I238 HydrophobicContact CB-CD1 4.33Å; L191-I238 HydrophobicContact CB-CG2 3.85Å; L191-I238 HydrophobicContact CD2-CD1 4.15Å; L191-I238 HydrophobicContact CD2-CG2 4.47Å; L191-I238 HydrophobicContact CG-CD1 4.39Å; L191-L240 HydrophobicContact CB-CD1 4.43Å; L191-V254 HydrophobicContact CD1-CG1 3.19Å; L191-V254 WeakPolarHBondContact CD1-O 3.46Å
192D92.4Very high94.6Very high63 Ų6337.9 Ų37.934%0.33723%0.231SC..  trans-68.5123.7171.6-179.6-18.3000107.9D194 T195 L196 F256D192-D194 PolarHBondContact O-N 2.88Å; D192-D194 VanDerWaalsContact O-N 3.1Å; D192-D194 WeakPolarHBondContact OD1-CB 3.44Å; D192-D194 PolarHBondContact OD1-N 2.85Å; D192-T195 HydrophobicContact CB-CG2 3.93Å; D192-T195 WeakPolarHBondContact O-CA 3.33Å; D192-T195 PolarHBondContact O-N 3.42Å; D192-T195 PolarHBondContact O-OG1 2.8Å; D192-L196 PolarHBondContact O-N 3.1Å; D192-F256 HydrophobicContact CB-CE2 3.76Å; D192-F256 HydrophobicContact CB-CZ 4.3Å
193P91.1Very high94.7Very high60 Ų6037.1 Ų37.139%0.3923%0.226SC..G310 helixtrans-51-32.7177.3-27.636000114.1L191 T195 L196 G236 I238L191-P193 WeakPolarHBondContact O-CD 3.49Å; P193-T195 PolarHBondContact O-N 3.31Å; P193-L196 VanDerWaalsContact O-CB 3.26Å; P193-L196 WeakPolarHBondContact O-CB 3.27Å; P193-L196 PolarHBondContact O-N 2.84Å; P193-G236 WeakPolarHBondContact CG-O 3.45Å; P193-I238 HydrophobicContact CB-CD1 4.37Å; P193-I238 HydrophobicContact CG-CD1 4.32Å
194D91.3Very high94.9Very high145 Ų14537.5 Ų37.578%0.77522%0.224SC*.G310 helixtrans-70.3-23178.7-72.3-18.1000112.3D192 P197D192-D194 PolarHBondContact O-N 2.88Å; D192-D194 VanDerWaalsContact O-N 3.1Å; D192-D194 WeakPolarHBondContact OD1-CB 3.44Å; D192-D194 PolarHBondContact OD1-N 2.85Å; D194-P197 WeakPolarHBondContact O-CD 3.45Å
195T92.8Very high94.9Very high39 Ų3940 Ų4024%0.23924%0.238CC..G310 helixtrans-89.3-14.3176.269.20000113.1L191 D192 P193 P197 S198L191-T195 WeakPolarHBondContact CD1-OG1 3.39Å; D192-T195 HydrophobicContact CB-CG2 3.93Å; D192-T195 WeakPolarHBondContact O-CA 3.33Å; D192-T195 PolarHBondContact O-N 3.42Å; D192-T195 PolarHBondContact O-OG1 2.8Å; P193-T195 PolarHBondContact O-N 3.31Å; T195-P197 VanDerWaalsContact C-CD 3.43Å; T195-P197 VanDerWaalsContact C-N 3.34Å; T195-S198 WeakPolarHBondContact O-CB 3.24Å; T195-S198 PolarHBondContact O-N 2.94Å; T195-S198 PolarHBondContact O-OG 3.35Å
196L94.3Very high95Very high16 Ų1638.9 Ų38.98%0.08423%0.232CC..Hα-helixtrans-50.8-43.6-179.6179.366.1000113.8A31 F32 L191 D192 P193 S198 V199 A200 L203 F231 I238A31-L196 WeakPolarHBondContact O-CD2 3.22Å; F32-L196 HydrophobicContact CD1-CD1 4.04Å; F32-L196 HydrophobicContact CD1-CD2 4.17Å; F32-L196 HydrophobicContact CD1-CG 4.07Å; F32-L196 HydrophobicContact CE1-CD1 3.98Å; L191-L196 HydrophobicContact CD2-CB 4.19Å; L191-L196 HydrophobicContact CD2-CD1 3.7Å; D192-L196 PolarHBondContact O-N 3.1Å; P193-L196 VanDerWaalsContact O-CB 3.26Å; P193-L196 WeakPolarHBondContact O-CB 3.27Å; P193-L196 PolarHBondContact O-N 2.84Å; L196-S198 PolarHBondContact O-N 3.17Å; L196-V199 WeakPolarHBondContact O-CG2 3.28Å; L196-V199 PolarHBondContact O-N 2.83Å; L196-V199 VanDerWaalsContact O-N 3.16Å; L196-A200 PolarHBondContact O-N 2.94Å; L196-L203 HydrophobicContact CD1-CD1 3.39Å; L196-F231 HydrophobicContact CD1-CE2 4.33Å; L196-I238 HydrophobicContact CB-CD1 4.08Å; L196-I238 HydrophobicContact CD1-CD1 4.19Å; L196-I238 HydrophobicContact CD2-CD1 3.97Å; L196-I238 HydrophobicContact CG-CD1 4.3Å
197P95.1Very high94.9Very high102 Ų10238.9 Ų38.966%0.66223%0.232SC*.Hα-helixtrans-59.1-31.3177.2-25.536.3000113.8D194 T195 V199D194-P197 WeakPolarHBondContact O-CD 3.45Å; T195-P197 VanDerWaalsContact C-CD 3.43Å; T195-P197 VanDerWaalsContact C-N 3.34Å; P197-V199 VanDerWaalsContact C-N 3.28Å; P197-V199 PolarHBondContact O-N 2.81Å
198S95.7Very high94.8Very high79 Ų7939 Ų3955%0.55223%0.231SC*.Hα-helixtrans-71.4-23.3-178.7760000113.4T195 L196T195-S198 WeakPolarHBondContact O-CB 3.24Å; T195-S198 PolarHBondContact O-N 2.94Å; T195-S198 PolarHBondContact O-OG 3.35Å; L196-S198 PolarHBondContact O-N 3.17Å
199V96.4Very high94.6Very high2 Ų245.8 Ų45.81%0.01226%0.257CS..Hα-helixtrans-113.96.4179.7-640000112.9L191 L196 P197 T201 L202 L203 F250 P251 V254L191-V199 HydrophobicContact CD1-CG2 4.28Å; L191-V199 HydrophobicContact CD2-CG2 3.71Å; L196-V199 WeakPolarHBondContact O-CG2 3.28Å; L196-V199 PolarHBondContact O-N 2.83Å; L196-V199 VanDerWaalsContact O-N 3.16Å; P197-V199 VanDerWaalsContact C-N 3.28Å; P197-V199 PolarHBondContact O-N 2.81Å; V199-T201 VanDerWaalsContact C-N 3.34Å; V199-T201 PolarHBondContact O-N 3.49Å; V199-L202 WeakPolarHBondContact O-CB 3.43Å; V199-L202 PolarHBondContact O-N 3.24Å; V199-L202 VanDerWaalsContact O-N 3.17Å; V199-L203 HydrophobicContact CG2-CD1 3.95Å; V199-L203 PolarHBondContact O-N 3.38Å; V199-F250 HydrophobicContact CB-CD1 4.27Å; V199-F250 HydrophobicContact CB-CE1 4.18Å; V199-F250 HydrophobicContact CG1-CD1 4.1Å; V199-F250 HydrophobicContact CG2-CE1 4.29Å; V199-P251 HydrophobicContact CG1-CG 4.1Å; V199-V254 HydrophobicContact CG1-CG1 3.86Å
200A96.6Very high93.9Very high14 Ų1447.7 Ų47.712%0.11627%0.27CS..Hα-helixtrans-59.5-40.9-174.300000112.9F32 L196 L203 M204F32-A200 HydrophobicContact CD1-CB 3.97Å; F32-A200 HydrophobicContact CE1-CB 4.08Å; L196-A200 PolarHBondContact O-N 2.94Å; A200-L203 PolarHBondContact O-N 3.15Å; A200-M204 WeakPolarHBondContact O-CB 3.38Å; A200-M204 VanDerWaalsContact O-CG 3.22Å; A200-M204 WeakPolarHBondContact O-CG 3.49Å; A200-M204 PolarHBondContact O-N 3.12Å
201T96.9Very high92.5Very high117 Ų11749.5 Ų49.572%0.71829%0.291SS*.Hα-helixtrans-65.8-39.4178.351.80000112.2V199 D205V199-T201 VanDerWaalsContact C-N 3.34Å; V199-T201 PolarHBondContact O-N 3.49Å; T201-D205 WeakPolarHBondContact O-CB 3.28Å; T201-D205 PolarHBondContact O-N 3Å
202L96.9Very high90.6Very high26 Ų2652.7 Ų52.714%0.13633%0.325CS..Hα-helixtrans-64.8-46.517417463.3000110.8V199 M204 D205 V206 R249 F250V199-L202 WeakPolarHBondContact O-CB 3.43Å; V199-L202 PolarHBondContact O-N 3.24Å; V199-L202 VanDerWaalsContact O-N 3.17Å; L202-M204 VanDerWaalsContact C-N 3.35Å; L202-M204 PolarHBondContact O-N 2.88Å; L202-D205 WeakPolarHBondContact O-CB 3.37Å; L202-D205 PolarHBondContact O-N 3.16Å; L202-V206 HydrophobicContact CD1-CG2 4.18Å; L202-V206 VanDerWaalsContact O-CG2 3.31Å; L202-V206 WeakPolarHBondContact O-CG2 3.43Å; L202-V206 PolarHBondContact O-N 3.05Å; L202-R249 HydrophobicContact CD1-CB 3.88Å; L202-R249 HydrophobicContact CD2-CB 4.22Å; L202-R249 WeakPolarHBondContact CD2-O 3.45Å; L202-F250 HydrophobicContact CD2-CB 4.28Å; L202-F250 HydrophobicContact CD2-CD1 3.88Å; L202-F250 HydrophobicContact CD2-CD2 3.71Å; L202-F250 HydrophobicContact CD2-CE1 4.07Å; L202-F250 HydrophobicContact CD2-CE2 3.9Å; L202-F250 HydrophobicContact CD2-CG 3.69Å; L202-F250 HydrophobicContact CD2-CZ 4.08Å; L202-F250 HydrophobicContact CG-CE2 4.43Å; L202-F250 HydrophobicContact CG-CZ 4.46Å
203L96.8Very high88.2Confident0 Ų054.3 Ų54.30%034%0.341CS..Hα-helixtrans-62.8-41177.5-79.3170000111.8F32 L191 L196 V199 A200 D205 V206 M207 F229 F231 L240 F250F32-L203 HydrophobicContact CE1-CB 3.89Å; F32-L203 HydrophobicContact CE1-CD1 4Å; F32-L203 HydrophobicContact CZ-CB 3.78Å; L191-L203 HydrophobicContact CD2-CD1 4.32Å; L196-L203 HydrophobicContact CD1-CD1 3.39Å; V199-L203 HydrophobicContact CG2-CD1 3.95Å; V199-L203 PolarHBondContact O-N 3.38Å; A200-L203 PolarHBondContact O-N 3.15Å; L203-D205 VanDerWaalsContact C-N 3.35Å; L203-V206 PolarHBondContact O-N 3.37Å; L203-M207 HydrophobicContact CB-SD 4.45Å; L203-M207 VanDerWaalsContact O-CB 3.25Å; L203-M207 WeakPolarHBondContact O-CB 3.36Å; L203-M207 WeakPolarHBondContact O-CG 3.34Å; L203-M207 PolarHBondContact O-N 3.47Å; L203-F229 HydrophobicContact CD2-CZ 3.81Å; L203-F231 HydrophobicContact CD1-CE2 4.23Å; L203-F231 HydrophobicContact CD2-CD2 4.38Å; L203-L240 HydrophobicContact CD2-CD2 4.26Å; L203-F250 HydrophobicContact CD2-CE1 4.13Å; L203-F250 HydrophobicContact CD2-CZ 3.67Å; L203-F250 HydrophobicContact CG-CE1 4.17Å; L203-F250 HydrophobicContact CG-CZ 4.1Å
204M96.4Very high86.1Confident48 Ų4860.4 Ų60.424%0.23636%0.361CS..Hα-helixtrans-60.9-44.7173.6-73.5174.8-169.800111.4I28 F32 A200 L202 V206 M207 F208 Y209I28-M204 HydrophobicContact CD1-CE 4.31Å; I28-M204 HydrophobicContact CD1-SD 4.38Å; I28-M204 HydrophobicContact CG1-CE 4.3Å; I28-M204 HydrophobicContact CG2-CE 4.14Å; F32-M204 HydrophobicContact CD2-CE 3.53Å; F32-M204 HydrophobicContact CD2-CG 4.42Å; F32-M204 HydrophobicContact CE2-CE 3.75Å; F32-M204 HydrophobicContact CE2-CG 3.66Å; F32-M204 HydrophobicContact CG-CE 4.02Å; F32-M204 HydrophobicContact CZ-CE 4.38Å; F32-M204 HydrophobicContact CZ-CG 3.91Å; A200-M204 WeakPolarHBondContact O-CB 3.38Å; A200-M204 VanDerWaalsContact O-CG 3.22Å; A200-M204 WeakPolarHBondContact O-CG 3.49Å; A200-M204 PolarHBondContact O-N 3.12Å; L202-M204 VanDerWaalsContact C-N 3.35Å; L202-M204 PolarHBondContact O-N 2.88Å; M204-V206 PolarHBondContact O-N 3.12Å; M204-M207 PolarHBondContact O-N 2.65Å; M204-F208 HydrophobicContact CB-CD2 4.15Å; M204-F208 HydrophobicContact CB-CE2 4.48Å; M204-F208 HydrophobicContact CG-CD2 4.37Å; M204-F208 HydrophobicContact CG-CE2 4.25Å; M204-F208 WeakPolarHBondContact O-CB 3.24Å; M204-F208 WeakPolarHBondContact O-CD2 3.33Å; M204-F208 PolarHBondContact O-N 2.93Å; M204-Y209 WeakPolarHBondContact O-CD2 3.44Å
205D96.2Very high83.4Confident59 Ų5960.4 Ų60.432%0.31636%0.357SS..Iπ-helixtrans-59.7-45.6175.8-17571.4000112T201 L202 L203 Y209 S210 R249T201-D205 WeakPolarHBondContact O-CB 3.28Å; T201-D205 PolarHBondContact O-N 3Å; L202-D205 WeakPolarHBondContact O-CB 3.37Å; L202-D205 PolarHBondContact O-N 3.16Å; L203-D205 VanDerWaalsContact C-N 3.35Å; D205-Y209 CarbonylContact O-C 3.57Å; D205-Y209 WeakPolarHBondContact O-CA 3.09Å; D205-Y209 PolarHBondContact O-N 3.42Å; D205-S210 WeakPolarHBondContact O-CB 3.21Å; D205-S210 PolarHBondContact O-N 2.66Å; D205-S210 PolarHBondContact O-OG 3.41Å; D205-S210 PolarHBondContact OD2-OG 2.9Å; D205-R249 IonicContact OD2-CZ 3.94Å; D205-R249 IonicContact OD2-NH1 2.9Å; D205-R249 IonicContact OD2-NH2 3.24Å; D205-R249 PolarHBondContact OD2-NH2 3.12Å
206V95.3Very high80.7Confident0 Ų065.5 Ų65.50%039%0.387CS..Iπ-helixtrans-64.3-49.7176.81740000110.8L202 L203 M204 R227 F229 T246L202-V206 HydrophobicContact CD1-CG2 4.18Å; L202-V206 VanDerWaalsContact O-CG2 3.31Å; L202-V206 WeakPolarHBondContact O-CG2 3.43Å; L202-V206 PolarHBondContact O-N 3.05Å; L203-V206 PolarHBondContact O-N 3.37Å; M204-V206 PolarHBondContact O-N 3.12Å; V206-R227 PolarHBondContact O-NH2 3.26Å; V206-F229 HydrophobicContact CG1-CD1 4.17Å; V206-F229 HydrophobicContact CG1-CD2 3.49Å; V206-F229 VanDerWaalsContact CG1-CD2 3.49Å; V206-F229 HydrophobicContact CG1-CE1 4.22Å; V206-F229 HydrophobicContact CG1-CE2 3.56Å; V206-F229 HydrophobicContact CG1-CG 3.82Å; V206-F229 HydrophobicContact CG1-CZ 3.94Å; V206-T246 HydrophobicContact CG1-CG2 3.83Å; V206-T246 HydrophobicContact CG2-CG2 3.79Å
207M94.2Very high78Confident0 Ų067.9 Ų67.90%042%0.416CS..Iπ-helixtrans-68.9-36.5-174.4-70.1168.778.400113.1A31 F32 L44 Y51 L203 M204 F229 F231A31-M207 HydrophobicContact CB-CE 4.25Å; F32-M207 HydrophobicContact CE2-SD 4.4Å; F32-M207 HydrophobicContact CZ-SD 4Å; L44-M207 HydrophobicContact CD1-CE 4.23Å; L44-M207 HydrophobicContact CD2-CE 3.95Å; Y51-M207 VanDerWaalsContact CE1-O 3.23Å; Y51-M207 WeakPolarHBondContact CE1-O 3.5Å; Y51-M207 PolarHBondContact OH-O 3.18Å; L203-M207 HydrophobicContact CB-SD 4.45Å; L203-M207 VanDerWaalsContact O-CB 3.25Å; L203-M207 WeakPolarHBondContact O-CB 3.36Å; L203-M207 WeakPolarHBondContact O-CG 3.34Å; L203-M207 PolarHBondContact O-N 3.47Å; M204-M207 PolarHBondContact O-N 2.65Å; M207-F229 HydrophobicContact CG-CD1 4.15Å; M207-F229 HydrophobicContact CG-CE1 3.53Å; M207-F229 HydrophobicContact CG-CZ 4.35Å; M207-F229 HydrophobicContact SD-CE1 4.47Å; M207-F231 HydrophobicContact CE-CB 4.46Å; M207-F231 HydrophobicContact CE-CG 4.44Å
208F93.2Very high75.3Confident20 Ų2066.3 Ų66.39%0.08841%0.411CS..Iπ-helixtrans-122.5-21.2-164.2-50.4-56000115I20 L27 I28 F32 M204I20-F208 HydrophobicContact CD1-CD1 3.92Å; I20-F208 HydrophobicContact CD1-CE1 4.11Å; I20-F208 HydrophobicContact CG1-CD1 3.82Å; I20-F208 HydrophobicContact CG1-CE1 4.48Å; L27-F208 HydrophobicContact CB-CE1 4.04Å; L27-F208 HydrophobicContact CB-CZ 3.95Å; L27-F208 HydrophobicContact CD1-CE1 3.88Å; I28-F208 HydrophobicContact CG1-CE2 4.01Å; I28-F208 HydrophobicContact CG1-CZ 4.5Å; F32-F208 HydrophobicContact CE2-CE2 4.45Å; M204-F208 HydrophobicContact CB-CD2 4.15Å; M204-F208 HydrophobicContact CB-CE2 4.48Å; M204-F208 HydrophobicContact CG-CD2 4.37Å; M204-F208 HydrophobicContact CG-CE2 4.25Å; M204-F208 WeakPolarHBondContact O-CB 3.24Å; M204-F208 WeakPolarHBondContact O-CD2 3.33Å; M204-F208 PolarHBondContact O-N 2.93Å
209Y90.4Very high72.8Confident153 Ų15368.6 Ų68.660%0.643%0.427SS*.Iπ-helixtrans-120.4-25-170.3-60.4-81.6000113.9M204 D205 G211M204-Y209 WeakPolarHBondContact O-CD2 3.44Å; D205-Y209 CarbonylContact O-C 3.57Å; D205-Y209 WeakPolarHBondContact O-CA 3.09Å; D205-Y209 PolarHBondContact O-N 3.42Å; Y209-G211 PolarHBondContact O-N 3.22Å; Y209-G211 VanDerWaalsContact O-N 3.17Å
210S81.6Confident70Confident41 Ų4171 Ų7129%0.28745%0.453SS..THydrogen-bonded Turntrans-72-5.9-176.7-68.60000114.6D205 G212 R249D205-S210 WeakPolarHBondContact O-CB 3.21Å; D205-S210 PolarHBondContact O-N 2.66Å; D205-S210 PolarHBondContact O-OG 3.41Å; D205-S210 PolarHBondContact OD2-OG 2.9Å; S210-G212 VanDerWaalsContact C-N 3.33Å; S210-G212 PolarHBondContact O-N 3.33Å; S210-R249 PolarHBondContact OG-NH1 2.88Å
211G64.8Low67.4Low53 Ų5380.1 Ų80.155%0.54649%0.493SS..THydrogen-bonded Turntrans-85.65.7178.500000115.4Y209Y209-G211 PolarHBondContact O-N 3.22Å; Y209-G211 VanDerWaalsContact O-N 3.17Å
212G53.9Low64.9Low70 Ų7082 Ų8272%0.72250%0.498SS*.  trans-95.111.7-160.700000118.9S210 K214S210-G212 VanDerWaalsContact C-N 3.33Å; S210-G212 PolarHBondContact O-N 3.33Å; G212-K214 PolarHBondContact O-N 2.88Å
213S42Very low62.8Low97 Ų9785.4 Ų85.468%0.67853%0.525SS*.  trans-98.187.2172.3-161.60000111.3E215S213-E215 PolarHBondContact O-N 3.34Å; S213-E215 VanDerWaalsContact O-N 3.12Å; S213-E215 WeakPolarHBondContact OG-CG 3.26Å
214K46.7Very low62Low187 Ų18788.8 Ų88.881%0.81355%0.549SS*.  trans-7189.6145.3-76.4-177.3179173.80105.7G212 V216G212-K214 PolarHBondContact O-N 2.88Å; K214-V216 PolarHBondContact O-N 3.27Å
215E36.1Very low61.7Low146 Ų14690.4 Ų90.468%0.68256%0.555SS**  trans-63.494.6160-76.8-152163.300107.4S213 G217 A218S213-E215 PolarHBondContact O-N 3.34Å; S213-E215 VanDerWaalsContact O-N 3.12Å; S213-E215 WeakPolarHBondContact OG-CG 3.26Å; E215-G217 PolarHBondContact O-N 3.44Å; E215-A218 PolarHBondContact O-N 3.03Å
216V35.9Very low61.6Low145 Ų14588.6 Ų88.688%0.87955%0.545SS*.THydrogen-bonded Turntrans-63.883.4165.8-1780000106.5K214K214-V216 PolarHBondContact O-N 3.27Å
217G38.1Very low61.6Low67 Ų6791.3 Ų91.369%0.69156%0.556SS**THydrogen-bonded Turntrans160-19.4-179.100000116.2E215 S219E215-G217 PolarHBondContact O-N 3.44Å; G217-S219 VanDerWaalsContact C-N 3.34Å; G217-S219 PolarHBondContact O-N 3.06Å; G217-S219 VanDerWaalsContact O-N 3.14Å
218A37.7Very low61.8Low68 Ų6891.4 Ų91.456%0.56256%0.556SS**  trans-90.968.5177.600000111.3E215 G220E215-A218 PolarHBondContact O-N 3.03Å; A218-G220 PolarHBondContact O-N 2.97Å
219S42.5Very low62Low127 Ų12790.5 Ų90.589%0.88855%0.552SS**  trans-67.684.1149.155.40000107.3G217G217-S219 VanDerWaalsContact C-N 3.34Å; G217-S219 PolarHBondContact O-N 3.06Å; G217-S219 VanDerWaalsContact O-N 3.14Å
220G37.2Very low62.4Low54 Ų5483.2 Ų83.256%0.55752%0.524SS*.  trans-153.2124.3-179.900000110A218 D222A218-G220 PolarHBondContact O-N 2.97Å; G220-D222 PolarHBondContact O-N 3.14Å
221E42.8Very low63.2Low205 Ų20581.3 Ų81.396%0.95851%0.51SS*.SBendtrans-6532179.3-65.6174129.900114
222D43.6Very low64.8Low155 Ų15578.8 Ų78.883%0.82948%0.484SS*.  trans-131.418.8-158.5-108.9-12.5000116.5G220 S224G220-D222 PolarHBondContact O-N 3.14Å; D222-S224 PolarHBondContact O-N 3.4Å
223S54.7Low66.9Low98 Ų9876.6 Ų76.669%0.68546%0.456SS*.  trans-94.578.8161.6177.60000109.8H225S223-H225 PolarHBondContact O-N 2.88Å; S223-H225 VanDerWaalsContact O-N 3.13Å; S223-H225 PolarHBondContact OG-O 3.25Å; S223-H225 VanDerWaalsContact OG-O 3.06Å
224S79.8Confident69.5Low72 Ų7272.5 Ų72.550%0.50343%0.426SS..  trans-63.9-8.7168.655.90000113P182 S183 D222P182-S224 CarbonylContact C-O 3.44Å; P182-S224 VanDerWaalsContact CA-O 3.32Å; P182-S224 WeakPolarHBondContact CA-O 3.35Å; P182-S224 WeakPolarHBondContact CB-O 3.42Å; S183-S224 WeakPolarHBondContact CB-OG 3.45Å; S183-S224 PolarHBondContact N-O 2.69Å; S183-S224 VanDerWaalsContact OG-C 3.24Å; S183-S224 VanDerWaalsContact OG-CB 3.24Å; S183-S224 WeakPolarHBondContact OG-CB 3.43Å; S183-S224 PolarHBondContact OG-O 3.15Å; S183-S224 PolarHBondContact OG-OG 2.99Å; D222-S224 PolarHBondContact O-N 3.4Å
225H90Very high71.8Confident82 Ų8268.2 Ų68.238%0.3841%0.409SS..  trans-86.7145.1175.7-73.461.8000112.2S183 N184 S223S183-H225 PolarHBondContact OG-CE1 3.02Å; S183-H225 PolarHBondContact OG-ND1 3.14Å; N184-H225 PolarHBondContact ND2-CD2 3.02Å; N184-H225 WeakPolarHBondContact OD1-CA 3.45Å; S223-H225 PolarHBondContact O-N 2.88Å; S223-H225 VanDerWaalsContact O-N 3.13Å; S223-H225 PolarHBondContact OG-O 3.25Å; S223-H225 VanDerWaalsContact OG-O 3.06Å
226I93.9Very high74.5Confident21 Ų2163.3 Ų63.311%0.10840%0.397CS..  trans-106146.4170.9-164.5171.3000110.2P48 P182 N184 F186 F228 M266P48-I226 HydrophobicContact CG-CD1 3.92Å; P48-I226 HydrophobicContact CG-CG1 3.46Å; P48-I226 VanDerWaalsContact CG-CG1 3.46Å; P182-I226 HydrophobicContact CB-CB 3.88Å; P182-I226 HydrophobicContact CB-CG2 3.72Å; P182-I226 HydrophobicContact CG-CB 4.11Å; P182-I226 HydrophobicContact CG-CG2 3.51Å; N184-I226 PolarHBondContact ND2-O 3.49Å; N184-I226 PolarHBondContact OD1-N 2.91Å; F186-I226 HydrophobicContact CE2-CG2 4.48Å; F186-I226 HydrophobicContact CZ-CG2 3.86Å; I226-F228 HydrophobicContact CG2-CB 4.22Å; I226-F228 PolarHBondContact O-N 3.37Å; I226-M266 HydrophobicContact CG2-SD 4.19Å
227R94.6Very high77.4Confident57 Ų5763.3 Ų63.322%0.21538%0.383CS..  trans-78111.6163.8-178.563.5-178.1169.94.6109.2E46 T47 P48 V206E46-R227 VanDerWaalsContact CD-NE 3.32Å; E46-R227 HydrophobicContact CG-CG 4.38Å; E46-R227 IonicContact OE1-NE 3.17Å; E46-R227 PolarHBondContact OE1-NE 3.17Å; E46-R227 IonicContact OE2-CZ 2.67Å; E46-R227 VanDerWaalsContact OE2-CZ 3.22Å; E46-R227 IonicContact OE2-NE 2.75Å; E46-R227 PolarHBondContact OE2-NE 3.17Å; E46-R227 IonicContact OE2-NH2 2.87Å; E46-R227 PolarHBondContact OE2-NH2 2.89Å; T47-R227 CarbonylContact C-O 3.5Å; P48-R227 VanDerWaalsContact CD-O 3.23Å; P48-R227 WeakPolarHBondContact CD-O 3.28Å; P48-R227 HydrophobicContact CG-CB 4.48Å; V206-R227 PolarHBondContact O-NH2 3.26Å
228F97.6Very high80.2Confident1 Ų160.2 Ų60.20%0.00435%0.35CS..  trans-146.1123.4174.3-172.4-84.2000110.6T45 E46 F186 I226 V241 M266 I299 T301 H306T45-F228 HydrophobicContact CG2-CD2 4.43Å; T45-F228 HydrophobicContact CG2-CE1 4.32Å; T45-F228 HydrophobicContact CG2-CE2 3.75Å; T45-F228 HydrophobicContact CG2-CZ 3.68Å; E46-F228 WeakPolarHBondContact O-CA 3.44Å; F186-F228 HydrophobicContact CE1-CB 3.8Å; F186-F228 HydrophobicContact CE1-CD1 4.07Å; F186-F228 HydrophobicContact CE1-CG 4.34Å; F186-F228 HydrophobicContact CZ-CB 3.94Å; I226-F228 HydrophobicContact CG2-CB 4.22Å; I226-F228 PolarHBondContact O-N 3.37Å; F228-V241 HydrophobicContact CD1-CG1 4.29Å; F228-V241 HydrophobicContact CE1-CB 4.33Å; F228-V241 HydrophobicContact CE1-CG1 3.92Å; F228-M266 HydrophobicContact CB-CE 4.08Å; F228-M266 HydrophobicContact CD1-CE 3.68Å; F228-M266 HydrophobicContact CD2-CE 3.67Å; F228-M266 HydrophobicContact CD2-SD 4.46Å; F228-M266 HydrophobicContact CE1-CE 3.92Å; F228-M266 HydrophobicContact CE2-CE 3.9Å; F228-M266 HydrophobicContact CG-CE 3.54Å; F228-M266 HydrophobicContact CZ-CE 4.02Å; F228-I299 HydrophobicContact CE1-CD1 4.33Å; F228-I299 HydrophobicContact CZ-CB 4.33Å; F228-I299 HydrophobicContact CZ-CD1 4.19Å; F228-I299 HydrophobicContact CZ-CG2 4.21Å; F228-T301 HydrophobicContact CE2-CG2 4.34Å; F228-H306 HydrophobicContact CE2-CB 4.2Å; F228-H306 AromaticContact CE2-CD2 3.74Å; F228-H306 AromaticContact CE2-CE1 4Å; F228-H306 AromaticContact CE2-CG 3.63Å; F228-H306 AromaticContact CE2-ND1 3.78Å; F228-H306 AromaticContact CE2-NE2 3.98Å; F228-H306 HydrophobicContact CZ-CB 4.4Å
229F98.2Very high83Confident1 Ų157 Ų570%0.00432%0.324CS..EExtended strand (participates in β ladder)trans-144.2123.7176.6177.7-95.3000109.4T45 E46 L203 V206 M207 F231 L240 V241 M242T45-F229 CarbonylContact C-O 3.54Å; T45-F229 WeakPolarHBondContact CA-O 3.33Å; E46-F229 HydrophobicContact CB-CB 4.27Å; E46-F229 PolarHBondContact N-O 3.24Å; E46-F229 PolarHBondContact O-N 2.98Å; E46-F229 VanDerWaalsContact O-N 3.12Å; L203-F229 HydrophobicContact CD2-CZ 3.81Å; V206-F229 HydrophobicContact CG1-CD1 4.17Å; V206-F229 HydrophobicContact CG1-CD2 3.49Å; V206-F229 VanDerWaalsContact CG1-CD2 3.49Å; V206-F229 HydrophobicContact CG1-CE1 4.22Å; V206-F229 HydrophobicContact CG1-CE2 3.56Å; V206-F229 HydrophobicContact CG1-CG 3.82Å; V206-F229 HydrophobicContact CG1-CZ 3.94Å; M207-F229 HydrophobicContact CG-CD1 4.15Å; M207-F229 HydrophobicContact CG-CE1 3.53Å; M207-F229 HydrophobicContact CG-CZ 4.35Å; M207-F229 HydrophobicContact SD-CE1 4.47Å; F229-F231 HydrophobicContact CE1-CB 3.82Å; F229-F231 HydrophobicContact CZ-CB 4.33Å; F229-L240 HydrophobicContact CZ-CD2 4.33Å; F229-V241 CarbonylContact C-O 3.5Å; F229-V241 WeakPolarHBondContact CA-O 3.42Å; F229-M242 HydrophobicContact CD2-CB 3.64Å; F229-M242 HydrophobicContact CE2-CB 3.94Å; F229-M242 HydrophobicContact CE2-CE 4.31Å
230S98.6Very high85.7Confident1 Ų151 Ų511%0.00728%0.281CS..EExtended strand (participates in β ladder)trans-115.5130.1175.1-172.70000110.2L44 T45 L240 V241L44-S230 CarbonylContact O-C 3.56Å; L44-S230 WeakPolarHBondContact O-CA 3.23Å; T45-S230 PolarHBondContact OG1-OG 2.8Å; S230-L240 CarbonylContact O-C 3.58Å; S230-L240 VanDerWaalsContact O-CA 3.28Å; S230-L240 WeakPolarHBondContact O-CA 3.45Å; S230-V241 PolarHBondContact N-O 3.17Å; S230-V241 PolarHBondContact O-N 3.46Å
231F98.6Very high88.5Confident0 Ų048.5 Ų48.50%026%0.255CS..EExtended strand (participates in β ladder)trans-121.8126.9169.9174.7-79.7000108.3A31 F42 S43 L44 L196 L203 M207 F229 L233 I238 L240A31-F231 HydrophobicContact CB-CE1 4Å; A31-F231 HydrophobicContact CB-CZ 4.29Å; F42-F231 HydrophobicContact CD1-CD1 4.21Å; F42-F231 HydrophobicContact CD1-CE1 4.07Å; F42-F231 AromaticContact CE1-CD1 3.88Å; F42-F231 HydrophobicContact CE1-CD1 3.88Å; F42-F231 AromaticContact CE1-CE1 3.99Å; F42-F231 HydrophobicContact CE1-CE1 3.99Å; S43-F231 CarbonylContact C-O 3.53Å; S43-F231 WeakPolarHBondContact CA-O 3.4Å; L44-F231 PolarHBondContact N-O 2.95Å; L44-F231 PolarHBondContact O-N 3.34Å; L196-F231 HydrophobicContact CD1-CE2 4.33Å; L203-F231 HydrophobicContact CD1-CE2 4.23Å; L203-F231 HydrophobicContact CD2-CD2 4.38Å; M207-F231 HydrophobicContact CE-CB 4.46Å; M207-F231 HydrophobicContact CE-CG 4.44Å; F229-F231 HydrophobicContact CE1-CB 3.82Å; F229-F231 HydrophobicContact CZ-CB 4.33Å; F231-L233 HydrophobicContact CE1-CB 3.83Å; F231-L233 HydrophobicContact CZ-CB 4.24Å; F231-I238 HydrophobicContact CE2-CG2 4.01Å; F231-I238 HydrophobicContact CZ-CG2 4.4Å; F231-L240 HydrophobicContact CB-CD2 4.18Å; F231-L240 HydrophobicContact CD2-CD2 3.29Å; F231-L240 HydrophobicContact CE2-CD2 3.97Å; F231-L240 HydrophobicContact CG-CD2 4.09Å
232S98.6Very high91.1Very high1 Ų138.7 Ų38.71%0.00721%0.21CC..EExtended strand (participates in β ladder)trans-127134.4171.7-43.90000110.1F42 S43 I238 S239F42-S232 CarbonylContact O-C 3.58Å; F42-S232 VanDerWaalsContact O-CA 3.29Å; F42-S232 WeakPolarHBondContact O-CA 3.32Å; S43-S232 PolarHBondContact OG-OG 3.47Å; S232-I238 CarbonylContact O-C 3.53Å; S232-I238 VanDerWaalsContact O-CA 3.28Å; S232-I238 WeakPolarHBondContact O-CA 3.35Å; S232-S239 PolarHBondContact N-O 2.78Å; S232-S239 PolarHBondContact O-N 2.8Å
233L97.9Very high93.5Very high24 Ų2432.1 Ų32.113%0.12617%0.174CC..EExtended strand (participates in β ladder)trans-120.9100.2166.5175.662000107.4F42 F231 Y237 I238F42-L233 PolarHBondContact N-O 3.06Å; F42-L233 CarbonylContact O-C 3.55Å; F42-L233 PolarHBondContact O-N 2.94Å; F231-L233 HydrophobicContact CE1-CB 3.83Å; F231-L233 HydrophobicContact CZ-CB 4.24Å; L233-Y237 WeakPolarHBondContact CA-O 3.09Å; L233-I238 HydrophobicContact CD1-CG1 3.75Å
234I97.3Very high95.4Very high10 Ų1031.1 Ų31.15%0.05116%0.159CC..EExtended strand (participates in β ladder)trans-127.2119.6-174.3-59.5167.8000108.6K40 F41 L117 T119 F124 G236 Y237K40-I234 CarbonylContact O-C 3.58Å; K40-I234 WeakPolarHBondContact O-CA 3.42Å; F41-I234 HydrophobicContact CD1-CD1 4.22Å; F41-I234 HydrophobicContact CD1-CG1 4.13Å; F41-I234 HydrophobicContact CD2-CB 4.49Å; F41-I234 HydrophobicContact CD2-CD1 4.27Å; F41-I234 HydrophobicContact CD2-CG1 4.17Å; F41-I234 HydrophobicContact CD2-CG2 3.55Å; F41-I234 HydrophobicContact CE1-CD1 3.77Å; F41-I234 HydrophobicContact CE1-CG1 4.2Å; F41-I234 HydrophobicContact CE2-CD1 3.84Å; F41-I234 HydrophobicContact CE2-CG1 4.25Å; F41-I234 HydrophobicContact CE2-CG2 3.85Å; F41-I234 HydrophobicContact CG-CD1 4.45Å; F41-I234 HydrophobicContact CG-CG1 4.11Å; F41-I234 HydrophobicContact CG-CG2 4.15Å; F41-I234 HydrophobicContact CZ-CD1 3.57Å; F41-I234 HydrophobicContact CZ-CG1 4.27Å; L117-I234 HydrophobicContact CD2-CD1 3.74Å; T119-I234 HydrophobicContact CG2-CD1 4.19Å; F124-I234 HydrophobicContact CD2-CD1 4.1Å; F124-I234 HydrophobicContact CE2-CD1 3.63Å; F124-I234 HydrophobicContact CE2-CG2 4.29Å; F124-I234 HydrophobicContact CZ-CD1 4.3Å; F124-I234 HydrophobicContact CZ-CG2 3.86Å; I234-G236 PolarHBondContact O-N 2.88Å; I234-G236 VanDerWaalsContact O-N 3.09Å; I234-Y237 PolarHBondContact N-O 3.42Å; I234-Y237 WeakPolarHBondContact O-CB 3.43Å; I234-Y237 PolarHBondContact O-N 3.29Å
235E93.8Very high96Very high98 Ų9833.5 Ų33.546%0.45816%0.162SC..THydrogen-bonded Turntrans50.933.6-177.7-60.8-171.8167.300113.6H8 K40 Y237H8-E235 IonicContact CD2-OE1 2.69Å; H8-E235 IonicContact CE1-OE1 3.22Å; H8-E235 PolarHBondContact CE1-OE1 3.15Å; H8-E235 IonicContact NE2-OE1 2.71Å; H8-E235 PolarHBondContact NE2-OE1 3.42Å; K40-E235 PolarHBondContact O-N 3.46Å; E235-Y237 VanDerWaalsContact C-N 3.32Å
236G93.9Very high96.2Very high42 Ų4230 Ų3043%0.43315%0.147SC..THydrogen-bonded Turntrans85.9-5-178.700000114.7P193 I234P193-G236 WeakPolarHBondContact CG-O 3.45Å; I234-G236 PolarHBondContact O-N 2.88Å; I234-G236 VanDerWaalsContact O-N 3.09Å
237Y95.4Very high96.2Very high146 Ų14629.8 Ų29.857%0.57315%0.148SC*.EExtended strand (participates in β ladder)trans-90.3132.6175-63-83.6000111.1Q121 L233 I234 E235Q121-Y237 HydrophobicContact CG-CD1 4.11Å; Q121-Y237 HydrophobicContact CG-CG 4.17Å; L233-Y237 WeakPolarHBondContact CA-O 3.09Å; I234-Y237 PolarHBondContact N-O 3.42Å; I234-Y237 WeakPolarHBondContact O-CB 3.43Å; I234-Y237 PolarHBondContact O-N 3.29Å; E235-Y237 VanDerWaalsContact C-N 3.32Å
238I97.3Very high96.1Very high1 Ų133.7 Ų33.71%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-99.3133176-59.2170.6000109.8Q121 S190 L191 P193 L196 F231 S232 L233 L240Q121-I238 PolarHBondContact NE2-O 2.5Å; S190-I238 WeakPolarHBondContact CA-O 3.14Å; S190-I238 WeakPolarHBondContact CB-O 3.12Å; S190-I238 PolarHBondContact OG-O 3.19Å; L191-I238 HydrophobicContact CB-CB 4.1Å; L191-I238 HydrophobicContact CB-CD1 4.33Å; L191-I238 HydrophobicContact CB-CG2 3.85Å; L191-I238 HydrophobicContact CD2-CD1 4.15Å; L191-I238 HydrophobicContact CD2-CG2 4.47Å; L191-I238 HydrophobicContact CG-CD1 4.39Å; P193-I238 HydrophobicContact CB-CD1 4.37Å; P193-I238 HydrophobicContact CG-CD1 4.32Å; L196-I238 HydrophobicContact CB-CD1 4.08Å; L196-I238 HydrophobicContact CD1-CD1 4.19Å; L196-I238 HydrophobicContact CD2-CD1 3.97Å; L196-I238 HydrophobicContact CG-CD1 4.3Å; F231-I238 HydrophobicContact CE2-CG2 4.01Å; F231-I238 HydrophobicContact CZ-CG2 4.4Å; S232-I238 CarbonylContact O-C 3.53Å; S232-I238 VanDerWaalsContact O-CA 3.28Å; S232-I238 WeakPolarHBondContact O-CA 3.35Å; L233-I238 HydrophobicContact CD1-CG1 3.75Å; I238-L240 HydrophobicContact CG2-CD2 4.08Å; I238-L240 HydrophobicContact CG2-CG 4.17Å
239S97.7Very high96Very high1 Ų138.8 Ų38.81%0.00719%0.188CC..EExtended strand (participates in β ladder)trans-128136.4171.1175.90000109.6T119 Y120 S232T119-S239 WeakPolarHBondContact CA-OG 2.68Å; Y120-S239 PolarHBondContact N-OG 2.97Å; S232-S239 PolarHBondContact N-O 2.78Å; S232-S239 PolarHBondContact O-N 2.8Å
240L97.7Very high95.8Very high0 Ų039.3 Ų39.30%019%0.19CC..EExtended strand (participates in β ladder)trans-128.4131.8178.4-52.4172.6000110T189 L191 L203 F229 S230 F231 I238 M242 F250 L255T189-L240 PolarHBondContact N-O 2.89Å; T189-L240 PolarHBondContact O-N 3.34Å; L191-L240 HydrophobicContact CB-CD1 4.43Å; L203-L240 HydrophobicContact CD2-CD2 4.26Å; F229-L240 HydrophobicContact CZ-CD2 4.33Å; S230-L240 CarbonylContact O-C 3.58Å; S230-L240 VanDerWaalsContact O-CA 3.28Å; S230-L240 WeakPolarHBondContact O-CA 3.45Å; F231-L240 HydrophobicContact CB-CD2 4.18Å; F231-L240 HydrophobicContact CD2-CD2 3.29Å; F231-L240 HydrophobicContact CE2-CD2 3.97Å; F231-L240 HydrophobicContact CG-CD2 4.09Å; I238-L240 HydrophobicContact CG2-CD2 4.08Å; I238-L240 HydrophobicContact CG2-CG 4.17Å; L240-M242 HydrophobicContact CB-CE 3.46Å; L240-M242 VanDerWaalsContact CB-CE 3.46Å; L240-M242 HydrophobicContact CD1-CE 3.53Å; L240-M242 HydrophobicContact CG-CE 4.08Å; L240-F250 HydrophobicContact CD1-CE1 4.41Å; L240-F250 HydrophobicContact CD1-CZ 4.38Å; L240-L255 HydrophobicContact CD1-CD2 3.77Å
241V97.7Very high95.6Very high2 Ų242.5 Ų42.51%0.01221%0.211CC..EExtended strand (participates in β ladder)trans-118.3121.5165-176.70000108.2F186 C187 V188 F228 F229 S230 I299 L308F186-V241 HydrophobicContact CD1-CG1 4.39Å; C187-V241 WeakPolarHBondContact O-CA 3.43Å; V188-V241 HydrophobicContact CG1-CG2 4.25Å; V188-V241 HydrophobicContact CG2-CG1 4.46Å; V188-V241 HydrophobicContact CG2-CG2 4.1Å; F228-V241 HydrophobicContact CD1-CG1 4.29Å; F228-V241 HydrophobicContact CE1-CB 4.33Å; F228-V241 HydrophobicContact CE1-CG1 3.92Å; F229-V241 CarbonylContact C-O 3.5Å; F229-V241 WeakPolarHBondContact CA-O 3.42Å; S230-V241 PolarHBondContact N-O 3.17Å; S230-V241 PolarHBondContact O-N 3.46Å; V241-I299 HydrophobicContact CB-CD1 4.42Å; V241-I299 HydrophobicContact CG2-CD1 3.82Å; V241-L308 HydrophobicContact CG1-CD1 3.59Å; V241-L308 HydrophobicContact CG2-CD1 4.43Å
242M96Very high95Very high0 Ų049.6 Ų49.60%025%0.249CC..EExtended strand (participates in β ladder)trans-150.3160-176.767.9-174.390.900110.5F186 C187 F229 L240 T246 A247 F250 L255F186-M242 CarbonylContact C-O 3.53Å; F186-M242 WeakPolarHBondContact CA-O 3.23Å; C187-M242 PolarHBondContact N-O 2.93Å; C187-M242 PolarHBondContact O-N 3.24Å; F229-M242 HydrophobicContact CD2-CB 3.64Å; F229-M242 HydrophobicContact CE2-CB 3.94Å; F229-M242 HydrophobicContact CE2-CE 4.31Å; L240-M242 HydrophobicContact CB-CE 3.46Å; L240-M242 VanDerWaalsContact CB-CE 3.46Å; L240-M242 HydrophobicContact CD1-CE 3.53Å; L240-M242 HydrophobicContact CG-CE 4.08Å; M242-T246 HydrophobicContact CB-CG2 4.11Å; M242-T246 HydrophobicContact CG-CG2 4.39Å; M242-T246 HydrophobicContact SD-CG2 3.88Å; M242-A247 HydrophobicContact CG-CB 3.98Å; M242-A247 WeakPolarHBondContact SD-CA 3.11Å; M242-A247 HydrophobicContact SD-CB 3.85Å; M242-F250 HydrophobicContact CE-CD2 4.42Å; M242-F250 HydrophobicContact CE-CE2 3.74Å; M242-F250 HydrophobicContact CE-CZ 3.95Å; M242-F250 HydrophobicContact SD-CD2 4.01Å; M242-F250 HydrophobicContact SD-CE2 3.49Å; M242-F250 WeakPolarHBondContact SD-CE2 3.31Å; M242-F250 HydrophobicContact SD-CZ 4.28Å; M242-L255 HydrophobicContact CE-CD1 4.35Å; M242-L255 HydrophobicContact CE-CD2 4.42Å
243D94.9Very high94.4Very high16 Ų1657.1 Ų57.19%0.08629%0.289CS..EExtended strand (participates in β ladder)trans-69156.7172.76991.5000111.6M185 F186 Q245 T246 A247M185-D243 CarbonylContact O-C 3.57Å; M185-D243 VanDerWaalsContact O-CA 3.24Å; M185-D243 WeakPolarHBondContact O-CA 3.47Å; F186-D243 HydrophobicContact CD1-CB 4.41Å; F186-D243 HydrophobicContact CE1-CB 4.27Å; D243-Q245 VanDerWaalsContact C-N 3.25Å; D243-Q245 PolarHBondContact O-N 2.86Å; D243-Q245 WeakPolarHBondContact OD1-CA 3.01Å; D243-Q245 VanDerWaalsContact OD1-CB 3.26Å; D243-Q245 WeakPolarHBondContact OD1-CB 3.4Å; D243-Q245 PolarHBondContact OD1-N 3.15Å; D243-T246 PolarHBondContact O-N 3.34Å; D243-T246 VanDerWaalsContact O-N 3.12Å; D243-T246 PolarHBondContact OD1-N 3.11Å; D243-T246 PolarHBondContact OD1-OG1 2.82Å; D243-T246 WeakPolarHBondContact OD2-CB 3.14Å; D243-T246 PolarHBondContact OD2-OG1 3.01Å; D243-A247 PolarHBondContact O-N 2.81Å
244E93.4Very high94.1Very high77 Ų7757 Ų5736%0.3629%0.289SS..Hα-helixtrans-56.5-37.8-177.9-173-174.5-160.700112.6M185 A247 Q248 L263M185-E244 HydrophobicContact CB-CB 4.22Å; M185-E244 PolarHBondContact O-N 2.85Å; E244-A247 PolarHBondContact O-N 2.81Å; E244-Q248 VanDerWaalsContact O-CG 3.32Å; E244-Q248 WeakPolarHBondContact O-CG 3.3Å; E244-Q248 PolarHBondContact O-N 3.47Å; E244-L263 HydrophobicContact CB-CD2 4.43Å; E244-L263 HydrophobicContact CG-CD2 4.31Å
245Q92.3Very high93.8Very high123 Ų12358.1 Ų58.158%0.57530%0.295SS*.Hα-helixtrans-67.4-40.2-179.6-52.1175.314.800110.5D243 Q248D243-Q245 VanDerWaalsContact C-N 3.25Å; D243-Q245 PolarHBondContact O-N 2.86Å; D243-Q245 WeakPolarHBondContact OD1-CA 3.01Å; D243-Q245 VanDerWaalsContact OD1-CB 3.26Å; D243-Q245 WeakPolarHBondContact OD1-CB 3.4Å; D243-Q245 PolarHBondContact OD1-N 3.15Å; Q245-Q248 PolarHBondContact O-N 2.88Å
246T94.2Very high93.5Very high8 Ų858.3 Ų58.35%0.04930%0.295CS..Hα-helixtrans-64.5-42.4172.7-62.40000111.4V206 M242 D243 Q248 R249V206-T246 HydrophobicContact CG1-CG2 3.83Å; V206-T246 HydrophobicContact CG2-CG2 3.79Å; M242-T246 HydrophobicContact CB-CG2 4.11Å; M242-T246 HydrophobicContact CG-CG2 4.39Å; M242-T246 HydrophobicContact SD-CG2 3.88Å; D243-T246 PolarHBondContact O-N 3.34Å; D243-T246 VanDerWaalsContact O-N 3.12Å; D243-T246 PolarHBondContact OD1-N 3.11Å; D243-T246 PolarHBondContact OD1-OG1 2.82Å; D243-T246 WeakPolarHBondContact OD2-CB 3.14Å; D243-T246 PolarHBondContact OD2-OG1 3.01Å; T246-Q248 VanDerWaalsContact C-N 3.31Å; T246-Q248 PolarHBondContact O-N 3.47Å; T246-R249 WeakPolarHBondContact O-CB 3.49Å; T246-R249 PolarHBondContact O-N 3.3Å; T246-R249 VanDerWaalsContact O-N 3.12Å
247A93.8Very high92.9Very high17 Ų1759.7 Ų59.714%0.1430%0.295CS..Hα-helixtrans-60.8-38.5178.300000112.6C187 M242 D243 E244 R249 F250 L255C187-A247 HydrophobicContact CB-CB 4.42Å; M242-A247 HydrophobicContact CG-CB 3.98Å; M242-A247 WeakPolarHBondContact SD-CA 3.11Å; M242-A247 HydrophobicContact SD-CB 3.85Å; D243-A247 PolarHBondContact O-N 2.81Å; E244-A247 PolarHBondContact O-N 2.81Å; A247-R249 PolarHBondContact O-N 2.78Å; A247-R249 VanDerWaalsContact O-N 3.15Å; A247-F250 WeakPolarHBondContact O-CB 3.38Å; A247-F250 PolarHBondContact O-N 2.85Å; A247-F250 VanDerWaalsContact O-N 3.12Å; A247-L255 HydrophobicContact CB-CD1 4.41Å
248Q93.3Very high91.6Very high139 Ų13955.1 Ų55.165%0.6528%0.284SS*.THydrogen-bonded Turntrans-64.9-14.6177.8-72.6173.79.500114.1E244 Q245 T246 F250E244-Q248 VanDerWaalsContact O-CG 3.32Å; E244-Q248 WeakPolarHBondContact O-CG 3.3Å; E244-Q248 PolarHBondContact O-N 3.47Å; Q245-Q248 PolarHBondContact O-N 2.88Å; T246-Q248 VanDerWaalsContact C-N 3.31Å; T246-Q248 PolarHBondContact O-N 3.47Å; Q248-F250 VanDerWaalsContact C-N 3.31Å
249R94.9Very high90Very high107 Ų10757.4 Ų57.440%0.40430%0.303SS..THydrogen-bonded Turntrans-77.4-18.4175.5-59.6168.560.3-176.5-2.6112.7L202 D205 S210 T246 A247L202-R249 HydrophobicContact CD1-CB 3.88Å; L202-R249 HydrophobicContact CD2-CB 4.22Å; L202-R249 WeakPolarHBondContact CD2-O 3.45Å; D205-R249 IonicContact OD2-CZ 3.94Å; D205-R249 IonicContact OD2-NH1 2.9Å; D205-R249 IonicContact OD2-NH2 3.24Å; D205-R249 PolarHBondContact OD2-NH2 3.12Å; S210-R249 PolarHBondContact OG-NH1 2.88Å; T246-R249 WeakPolarHBondContact O-CB 3.49Å; T246-R249 PolarHBondContact O-N 3.3Å; T246-R249 VanDerWaalsContact O-N 3.12Å; A247-R249 PolarHBondContact O-N 2.78Å; A247-R249 VanDerWaalsContact O-N 3.15Å
250F94.8Very high88.2Confident13 Ų1363.1 Ų63.16%0.05734%0.343CS..SBendtrans-73.5147.1179.7-77.2-103.7000111.1V199 L202 L203 L240 M242 A247 Q248 L255V199-F250 HydrophobicContact CB-CD1 4.27Å; V199-F250 HydrophobicContact CB-CE1 4.18Å; V199-F250 HydrophobicContact CG1-CD1 4.1Å; V199-F250 HydrophobicContact CG2-CE1 4.29Å; L202-F250 HydrophobicContact CD2-CB 4.28Å; L202-F250 HydrophobicContact CD2-CD1 3.88Å; L202-F250 HydrophobicContact CD2-CD2 3.71Å; L202-F250 HydrophobicContact CD2-CE1 4.07Å; L202-F250 HydrophobicContact CD2-CE2 3.9Å; L202-F250 HydrophobicContact CD2-CG 3.69Å; L202-F250 HydrophobicContact CD2-CZ 4.08Å; L202-F250 HydrophobicContact CG-CE2 4.43Å; L202-F250 HydrophobicContact CG-CZ 4.46Å; L203-F250 HydrophobicContact CD2-CE1 4.13Å; L203-F250 HydrophobicContact CD2-CZ 3.67Å; L203-F250 HydrophobicContact CG-CE1 4.17Å; L203-F250 HydrophobicContact CG-CZ 4.1Å; L240-F250 HydrophobicContact CD1-CE1 4.41Å; L240-F250 HydrophobicContact CD1-CZ 4.38Å; M242-F250 HydrophobicContact CE-CD2 4.42Å; M242-F250 HydrophobicContact CE-CE2 3.74Å; M242-F250 HydrophobicContact CE-CZ 3.95Å; M242-F250 HydrophobicContact SD-CD2 4.01Å; M242-F250 HydrophobicContact SD-CE2 3.49Å; M242-F250 WeakPolarHBondContact SD-CE2 3.31Å; M242-F250 HydrophobicContact SD-CZ 4.28Å; A247-F250 WeakPolarHBondContact O-CB 3.38Å; A247-F250 PolarHBondContact O-N 2.85Å; A247-F250 VanDerWaalsContact O-N 3.12Å; Q248-F250 VanDerWaalsContact C-N 3.31Å; F250-L255 HydrophobicContact CB-CD1 3.76Å; F250-L255 HydrophobicContact CB-CG 3.97Å; F250-L255 HydrophobicContact CD1-CD1 4.27Å; F250-L255 HydrophobicContact CD1-CD2 3.79Å; F250-L255 HydrophobicContact CD1-CG 4.07Å; F250-L255 HydrophobicContact CD2-CD1 3.96Å; F250-L255 HydrophobicContact CE1-CD2 4.09Å; F250-L255 HydrophobicContact CG-CD1 3.73Å; F250-L255 HydrophobicContact CG-CD2 4.13Å; F250-L255 HydrophobicContact CG-CG 3.98Å
251P93.3Very high86.9Confident68 Ų6866.5 Ų66.544%0.44238%0.378SS..PPolyproline II helixtrans-58.4146.3171.6-19.931.4000111.5V199 V254V199-P251 HydrophobicContact CG1-CG 4.1Å; P251-V254 HydrophobicContact CB-CG2 3.92Å; P251-V254 HydrophobicContact CG-CG2 4.45Å; P251-V254 PolarHBondContact O-N 2.85Å
252N87.1Confident86.1Confident148 Ų14869.6 Ų69.679%0.79139%0.392SS*.THydrogen-bonded Turntrans-55.5142.7178.2-67.1-26.6000111.6V254N252-V254 PolarHBondContact O-N 2.72Å
253N84.9Confident85.9Confident159 Ų15970.8 Ų70.885%0.8540%0.399SS*.THydrogen-bonded Turntrans6415.3175.4-47.7-45.8000115.7
254V91.8Very high85.9Confident21 Ų2170.5 Ų70.513%0.12740%0.396CS..  trans-92.7-34.3174.7175.60000111.8L191 V199 P251 N252L191-V254 HydrophobicContact CD1-CG1 3.19Å; L191-V254 WeakPolarHBondContact CD1-O 3.46Å; V199-V254 HydrophobicContact CG1-CG1 3.86Å; P251-V254 HydrophobicContact CB-CG2 3.92Å; P251-V254 HydrophobicContact CG-CG2 4.45Å; P251-V254 PolarHBondContact O-N 2.85Å; N252-V254 PolarHBondContact O-N 2.72Å
255L91.4Very high86Confident35 Ų3568.5 Ų68.518%0.18339%0.386CS..EExtended strand (participates in β ladder)trans-87.1129.1176.6-62.4178.9000111L240 M242 A247 F250L240-L255 HydrophobicContact CD1-CD2 3.77Å; M242-L255 HydrophobicContact CE-CD1 4.35Å; M242-L255 HydrophobicContact CE-CD2 4.42Å; A247-L255 HydrophobicContact CB-CD1 4.41Å; F250-L255 HydrophobicContact CB-CD1 3.76Å; F250-L255 HydrophobicContact CB-CG 3.97Å; F250-L255 HydrophobicContact CD1-CD1 4.27Å; F250-L255 HydrophobicContact CD1-CD2 3.79Å; F250-L255 HydrophobicContact CD1-CG 4.07Å; F250-L255 HydrophobicContact CD2-CD1 3.96Å; F250-L255 HydrophobicContact CE1-CD2 4.09Å; F250-L255 HydrophobicContact CG-CD1 3.73Å; F250-L255 HydrophobicContact CG-CD2 4.13Å; F250-L255 HydrophobicContact CG-CG 3.98Å
256F88.3Confident86.2Confident102 Ų10262.6 Ų62.645%0.44736%0.359SS..EExtended strand (participates in β ladder)trans-91.8131.8170.9-58.7-75.5000110.2T189 S190 D192T189-F256 CarbonylContact C-O 3.51Å; T189-F256 VanDerWaalsContact CA-O 3.24Å; T189-F256 WeakPolarHBondContact CA-O 3.5Å; T189-F256 WeakPolarHBondContact CB-O 3.32Å; S190-F256 PolarHBondContact N-O 2.81Å; S190-F256 PolarHBondContact O-N 2.9Å; D192-F256 HydrophobicContact CB-CE2 3.76Å; D192-F256 HydrophobicContact CB-CZ 4.3Å
257T81.6Confident86.3Confident71 Ų7162.7 Ų62.744%0.43636%0.359SS..  trans-125.9148.9175.787.70000109T189 A259T189-T257 HydrophobicContact CG2-CG2 3.87Å; T257-A259 VanDerWaalsContact C-N 3.34Å; T257-A259 PolarHBondContact OG1-O 3Å
258S67.6Low86.5Confident50 Ų5063.4 Ų63.435%0.3536%0.358SS..SBendtrans-70.5-31.8-178.9-57.70000112.5Y120Y120-S258 WeakPolarHBondContact CE2-OG 3.31Å; Y120-S258 VanDerWaalsContact CZ-OG 3.25Å; Y120-S258 WeakPolarHBondContact OH-CA 3.39Å; Y120-S258 PolarHBondContact OH-N 2.9Å; Y120-S258 PolarHBondContact OH-OG 2.78Å
259A63.8Low86.6Confident48 Ų4856.8 Ų56.840%0.39733%0.327SS..SBendtrans-143.1145.2171.900000110.5T257 G261 E262T257-A259 VanDerWaalsContact C-N 3.34Å; T257-A259 PolarHBondContact OG1-O 3Å; A259-G261 PolarHBondContact O-N 3.47Å; A259-E262 HydrophobicContact CB-CB 4.14Å; A259-E262 PolarHBondContact O-N 2.76Å
260S60.1Low86.7Confident121 Ų12152.1 Ų52.185%0.84631%0.312SS*.THydrogen-bonded Turntrans-66.3120.7178.362.40000110.3
261G68.7Low86.5Confident71 Ų7153.4 Ų53.473%0.73233%0.33SS*.THydrogen-bonded Turntrans80.112.3176.400000115.4A259 L263A259-G261 PolarHBondContact O-N 3.47Å; G261-L263 PolarHBondContact O-N 3.35Å
262E82.4Confident86.6Confident68 Ų6857.4 Ų57.432%0.31834%0.342SS..  trans-71.3113.4173.3-171.4179-15000110.1A259 W264A259-E262 HydrophobicContact CB-CB 4.14Å; A259-E262 PolarHBondContact O-N 2.76Å; E262-W264 VanDerWaalsContact CD-CZ2 3.48Å; E262-W264 HydrophobicContact CG-CZ2 4Å; E262-W264 WeakPolarHBondContact OE1-CZ2 3.31Å
263L92.2Very high87Confident25 Ų2554 Ų5413%0.13133%0.328CS..  trans-116.5148.5179.8-63.2174.7000110.5M185 F186 C187 E244 G261 E311M185-L263 HydrophobicContact CB-CB 4.34Å; M185-L263 HydrophobicContact CB-CD1 4.06Å; M185-L263 HydrophobicContact CB-CD2 4.34Å; M185-L263 HydrophobicContact CB-CG 4.5Å; M185-L263 HydrophobicContact CE-CB 3.37Å; M185-L263 HydrophobicContact CE-CD1 4.16Å; M185-L263 HydrophobicContact CE-CG 4.38Å; M185-L263 HydrophobicContact CG-CD1 4.2Å; F186-L263 WeakPolarHBondContact O-CA 3.36Å; C187-L263 VanDerWaalsContact SG-CD2 3.5Å; E244-L263 HydrophobicContact CB-CD2 4.43Å; E244-L263 HydrophobicContact CG-CD2 4.31Å; G261-L263 PolarHBondContact O-N 3.35Å; L263-E311 PolarHBondContact O-N 2.97Å
264W94.7Very high87.6Confident9 Ų947.3 Ų47.33%0.03429%0.292CS..EExtended strand (participates in β ladder)trans-120.2135.8-172.6-58.978.6000110.8F186 V188 E262 Y297 L308 V309 P310F186-W264 HydrophobicContact CB-CB 4.31Å; F186-W264 PolarHBondContact N-O 3.42Å; F186-W264 PolarHBondContact O-N 3.26Å; V188-W264 HydrophobicContact CG2-CG 4.4Å; E262-W264 VanDerWaalsContact CD-CZ2 3.48Å; E262-W264 HydrophobicContact CG-CZ2 4Å; E262-W264 WeakPolarHBondContact OE1-CZ2 3.31Å; W264-Y297 HydrophobicContact CD2-CD2 4.07Å; W264-Y297 HydrophobicContact CD2-CE2 4.1Å; W264-Y297 AromaticContact CE2-CE2 3.64Å; W264-Y297 AromaticContact CE3-CD2 3.94Å; W264-Y297 HydrophobicContact CE3-CD2 3.94Å; W264-Y297 HydrophobicContact CE3-CE2 4.24Å; W264-Y297 AromaticContact CH2-CD2 3.97Å; W264-Y297 HydrophobicContact CH2-CD2 3.97Å; W264-Y297 AromaticContact CH2-CE2 3.6Å; W264-Y297 HydrophobicContact CH2-CE2 3.6Å; W264-Y297 HydrophobicContact CZ2-CD2 4.08Å; W264-Y297 AromaticContact CZ2-CE2 3.39Å; W264-Y297 HydrophobicContact CZ2-CE2 3.39Å; W264-Y297 AromaticContact CZ3-CD2 3.88Å; W264-Y297 HydrophobicContact CZ3-CD2 3.88Å; W264-Y297 HydrophobicContact CZ3-CE2 4.01Å; W264-L308 HydrophobicContact CB-CB 4.05Å; W264-L308 HydrophobicContact CE3-CB 4.25Å; W264-V309 CarbonylContact C-O 3.53Å; W264-V309 WeakPolarHBondContact CA-O 3.21Å; W264-P310 HydrophobicContact CE3-CG 4.38Å; W264-P310 HydrophobicContact CH2-CG 4.17Å; W264-P310 HydrophobicContact CZ3-CG 3.82Å
265K95.6Very high87.8Confident35 Ų3548.3 Ų48.315%0.15231%0.307CS..EExtended strand (participates in β ladder)trans-91.8139168.5-77-62.5-166.5-168.60110S183 N184 M185 L308 V309 E311 I314S183-K265 PolarHBondContact O-NZ 3.13Å; N184-K265 WeakPolarHBondContact O-CD 3.5Å; N184-K265 PolarHBondContact O-NZ 3.18Å; M185-K265 HydrophobicContact CE-CD 4.16Å; M185-K265 HydrophobicContact CE-CG 4.27Å; M185-K265 HydrophobicContact SD-CD 3.64Å; M185-K265 WeakPolarHBondContact SD-CE 3.47Å; M185-K265 HydrophobicContact SD-CG 4.35Å; M185-K265 PolarHBondContact SD-NZ 3.25Å; K265-L308 WeakPolarHBondContact O-CA 3.21Å; K265-V309 HydrophobicContact CB-CG2 4.23Å; K265-V309 PolarHBondContact N-O 3.42Å; K265-V309 WeakPolarHBondContact O-CG2 3.46Å; K265-V309 PolarHBondContact O-N 2.87Å; K265-E311 HydrophobicContact CG-CB 4.44Å; K265-E311 HydrophobicContact CG-CG 4.26Å; K265-I314 HydrophobicContact CB-CD1 4.11Å; K265-I314 HydrophobicContact CG-CD1 4.43Å
266M96.3Very high88Confident0 Ų048.3 Ų48.30%031%0.306CS..EExtended strand (participates in β ladder)trans-88.1138.4174.1-179.6175.6-73.200111.3S181 P182 F186 I226 F228 R268 H306 A307 L308S181-M266 WeakPolarHBondContact CA-O 3.49Å; S181-M266 WeakPolarHBondContact CB-O 3.2Å; S181-M266 PolarHBondContact OG-O 2.82Å; P182-M266 HydrophobicContact CG-CB 3.99Å; P182-M266 HydrophobicContact CG-CG 4.25Å; P182-M266 HydrophobicContact CG-SD 4.09Å; F186-M266 HydrophobicContact CD2-CB 3.96Å; F186-M266 HydrophobicContact CD2-CE 4.31Å; F186-M266 HydrophobicContact CE1-CE 4.3Å; F186-M266 HydrophobicContact CE2-CB 3.61Å; F186-M266 HydrophobicContact CE2-CE 3.74Å; F186-M266 HydrophobicContact CE2-SD 4.17Å; F186-M266 HydrophobicContact CZ-CE 3.75Å; F186-M266 HydrophobicContact CZ-SD 4.33Å; I226-M266 HydrophobicContact CG2-SD 4.19Å; F228-M266 HydrophobicContact CB-CE 4.08Å; F228-M266 HydrophobicContact CD1-CE 3.68Å; F228-M266 HydrophobicContact CD2-CE 3.67Å; F228-M266 HydrophobicContact CD2-SD 4.46Å; F228-M266 HydrophobicContact CE1-CE 3.92Å; F228-M266 HydrophobicContact CE2-CE 3.9Å; F228-M266 HydrophobicContact CG-CE 3.54Å; F228-M266 HydrophobicContact CZ-CE 4.02Å; M266-R268 HydrophobicContact CG-CB 4.48Å; M266-R268 HydrophobicContact SD-CB 4.5Å; M266-H306 HydrophobicContact CE-CB 4.14Å; M266-H306 HydrophobicContact CG-CB 4.44Å; M266-H306 HydrophobicContact SD-CB 4.34Å; M266-A307 CarbonylContact C-O 3.57Å; M266-A307 WeakPolarHBondContact CA-O 3.24Å; M266-L308 HydrophobicContact CB-CD2 3.9Å; M266-L308 HydrophobicContact CE-CD2 3.85Å; M266-L308 HydrophobicContact CG-CD2 4.34Å
267V96.1Very high88.4Confident9 Ų948.8 Ų48.86%0.05531%0.313CS..EExtended strand (participates in β ladder)trans-113.5107.5158.6-177.40000106.4L179 S180 I269 A307 V309 V317 L321L179-V267 HydrophobicContact CB-CG1 4.09Å; L179-V267 HydrophobicContact CD1-CG1 4.27Å; L179-V267 HydrophobicContact CD2-CG1 4.28Å; L179-V267 HydrophobicContact CG-CG1 4.46Å; S180-V267 CarbonylContact O-C 3.54Å; S180-V267 WeakPolarHBondContact O-CA 3.4Å; V267-I269 HydrophobicContact CG1-CG1 4.46Å; V267-I269 WeakPolarHBondContact O-CD1 3.46Å; V267-A307 HydrophobicContact CB-CB 4.43Å; V267-A307 PolarHBondContact N-O 3.09Å; V267-A307 PolarHBondContact O-N 3.33Å; V267-V309 HydrophobicContact CG2-CG2 4.36Å; V267-V317 HydrophobicContact CG2-CG1 4.02Å; V267-L321 HydrophobicContact CG1-CD1 4.15Å; V267-L321 HydrophobicContact CG2-CD1 4.45Å
268R96.8Very high89Confident32 Ų3248.8 Ų48.812%0.12131%0.308CS..EExtended strand (participates in β ladder)trans-86.6132.8174.3175.8177.9178.7178.11.6109.3E49 L179 S180 M266E49-R268 IonicContact OE1-CZ 3.54Å; E49-R268 IonicContact OE1-NH1 3.88Å; E49-R268 PolarHBondContact OE1-NH1 2.89Å; E49-R268 IonicContact OE1-NH2 3.58Å; E49-R268 PolarHBondContact OE1-NH2 3.42Å; E49-R268 IonicContact OE2-CZ 3.73Å; E49-R268 IonicContact OE2-NH2 3.46Å; E49-R268 PolarHBondContact OE2-NH2 2.84Å; L179-R268 WeakPolarHBondContact CA-O 3.4Å; S180-R268 PolarHBondContact N-O 3.42Å; S180-R268 PolarHBondContact O-N 3.17Å; M266-R268 HydrophobicContact CG-CB 4.48Å; M266-R268 HydrophobicContact SD-CB 4.5Å
269I97.3Very high90.2Very high1 Ų147.9 Ų47.91%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-116.1130.3-172.2-55.9107.6000109.8H177 L179 V267 I281 I285 Y298 D305 A307H177-I269 HydrophobicContact CB-CG2 3.8Å; L179-I269 HydrophobicContact CD2-CB 4.09Å; L179-I269 HydrophobicContact CD2-CG1 3.59Å; L179-I269 HydrophobicContact CD2-CG2 3.97Å; V267-I269 HydrophobicContact CG1-CG1 4.46Å; V267-I269 WeakPolarHBondContact O-CD1 3.46Å; I269-I281 HydrophobicContact CG2-CG2 4.05Å; I269-I285 HydrophobicContact CD1-CG1 4.3Å; I269-I285 HydrophobicContact CG1-CD1 4.04Å; I269-I285 HydrophobicContact CG1-CG1 4.05Å; I269-Y298 HydrophobicContact CD1-CE2 4.27Å; I269-D305 HydrophobicContact CB-CB 4.01Å; I269-D305 HydrophobicContact CD1-CB 4.06Å; I269-D305 WeakPolarHBondContact CD1-O 3.13Å; I269-D305 PolarHBondContact N-O 2.85Å; I269-D305 PolarHBondContact O-N 3.49Å; I269-A307 HydrophobicContact CD1-CB 4.19Å
270G95.4Very high91.7Very high8 Ų846.1 Ų46.18%0.08229%0.288CS..  trans108.1133.8178.100000112.5P178 F304P178-G270 PolarHBondContact O-N 2.8Å; G270-F304 WeakPolarHBondContact O-CD1 3.47Å; G270-F304 WeakPolarHBondContact O-CE1 3.38Å
271G91.4Very high93.4Very high41 Ų4140.9 Ų40.942%0.42325%0.25SS..SBendtrans-100.7-11.7175.200000113.2P178P178-G271 VanDerWaalsContact CG-CA 3.49Å; P178-G271 VanDerWaalsContact CG-N 3.28Å
272Q94.5Very high94.8Very high151 Ų15137.7 Ų37.771%0.70622%0.216SC*.SBendtrans-141.9163.5174.6-66.9-61.4-56.200107.5L274 F304Q272-L274 PolarHBondContact O-N 3.42Å; Q272-F304 WeakPolarHBondContact O-CE1 3.32Å
273P96.8Very high95.4Very high76 Ų7634.4 Ų34.449%0.49420%0.201SC..  trans-53.2124.4176.3-27.436.3000112.3G275 K303P273-G275 VanDerWaalsContact C-N 3.34Å; P273-K303 CarbonylContact C-O 3.53Å; P273-K303 VanDerWaalsContact CA-O 3.28Å; P273-K303 WeakPolarHBondContact CA-O 3.2Å; P273-K303 HydrophobicContact CB-CB 4.19Å; P273-K303 HydrophobicContact CB-CG 4.24Å; P273-K303 HydrophobicContact CG-CB 4.39Å; P273-K303 HydrophobicContact CG-CD 4.45Å; P273-K303 HydrophobicContact CG-CG 4.29Å
274L96.6Very high95.5Very high19 Ų1934 Ų3410%0.09920%0.198CC..  trans-72-27.1-175.3-62.4172.3000112.9H177 Q272 I281 K303 D305H177-L274 VanDerWaalsContact CE1-CD2 3.45Å; H177-L274 WeakPolarHBondContact CE1-CD2 3.42Å; H177-L274 WeakPolarHBondContact ND1-CD2 3.36Å; Q272-L274 PolarHBondContact O-N 3.42Å; L274-I281 HydrophobicContact CB-CD1 4.04Å; L274-I281 HydrophobicContact CD1-CD1 4.22Å; L274-I281 HydrophobicContact CD1-CG2 4.29Å; L274-I281 HydrophobicContact CD2-CD1 4.04Å; L274-I281 HydrophobicContact CG-CD1 4.32Å; L274-K303 PolarHBondContact N-O 2.86Å; L274-D305 HydrophobicContact CD1-CB 3.92Å
275G95.9Very high95.6Very high43 Ų4333.6 Ų33.644%0.44320%0.197SC..  trans69.9-162-173.700000112.8P273P273-G275 VanDerWaalsContact C-N 3.34Å
276F96.9Very high95.5Very high35 Ų3531.9 Ų31.915%0.15419%0.19CC..SBendtrans-124.84.8-170-59.5-77.5000114.3V12 A72 W76 S113 F115 R128 F302V12-F276 HydrophobicContact CB-CE1 4.49Å; V12-F276 HydrophobicContact CG1-CE1 3.93Å; V12-F276 HydrophobicContact CG1-CZ 4.23Å; A72-F276 HydrophobicContact CB-CD1 4.33Å; A72-F276 HydrophobicContact CB-CD2 4Å; A72-F276 HydrophobicContact CB-CE1 4.11Å; A72-F276 HydrophobicContact CB-CE2 3.77Å; A72-F276 HydrophobicContact CB-CG 4.28Å; A72-F276 HydrophobicContact CB-CZ 3.84Å; W76-F276 HydrophobicContact CH2-CB 4.3Å; W76-F276 HydrophobicContact CH2-CD1 4.21Å; W76-F276 HydrophobicContact CZ2-CB 3.97Å; W76-F276 AromaticContact CZ2-CD1 3.66Å; W76-F276 HydrophobicContact CZ2-CD1 3.66Å; W76-F276 HydrophobicContact CZ2-CG 4.13Å; S113-F276 WeakPolarHBondContact CB-O 3.37Å; S113-F276 PolarHBondContact OG-O 2.86Å; F115-F276 HydrophobicContact CD2-CD1 4.11Å; F115-F276 AromaticContact CD2-CE1 3.97Å; F115-F276 HydrophobicContact CD2-CE1 3.97Å; F115-F276 HydrophobicContact CE2-CD1 4.27Å; F115-F276 AromaticContact CE2-CE1 3.69Å; F115-F276 HydrophobicContact CE2-CE1 3.69Å; R128-F276 PolarHBondContact NH1-O 2.98Å; F276-F302 HydrophobicContact CE2-CD1 4.42Å; F276-F302 HydrophobicContact CE2-CD2 4.22Å; F276-F302 HydrophobicContact CE2-CE1 4.05Å; F276-F302 AromaticContact CE2-CE2 3.83Å; F276-F302 HydrophobicContact CE2-CE2 3.83Å; F276-F302 HydrophobicContact CE2-CG 4.48Å; F276-F302 AromaticContact CE2-CZ 3.73Å; F276-F302 HydrophobicContact CE2-CZ 3.73Å; F276-F302 HydrophobicContact CZ-CD1 4.24Å; F276-F302 AromaticContact CZ-CD2 3.55Å; F276-F302 HydrophobicContact CZ-CD2 3.55Å; F276-F302 HydrophobicContact CZ-CE1 4.26Å; F276-F302 AromaticContact CZ-CE2 3.57Å; F276-F302 HydrophobicContact CZ-CE2 3.57Å; F276-F302 AromaticContact CZ-CG 3.88Å; F276-F302 HydrophobicContact CZ-CG 3.88Å; F276-F302 AromaticContact CZ-CZ 3.93Å; F276-F302 HydrophobicContact CZ-CZ 3.93Å
277D95.3Very high95.4Very high111 Ų11134 Ų3459%0.59420%0.2SC*.SBendtrans-109.8-26.9-175.8-71.3-51.5000112.8R128 R130 C279R128-D277 IonicContact CZ-OD1 2.72Å; R128-D277 IonicContact NH1-OD1 3.6Å; R128-D277 PolarHBondContact NH1-OD1 3.31Å; R130-D277 IonicContact NH2-OD1 3.35Å; D277-C279 PolarHBondContact O-N 2.84Å; D277-C279 PolarHBondContact O-SG 2.88Å; D277-C279 VanDerWaalsContact O-SG 3.37Å
278E94.4Very high95.3Very high71 Ų7135.3 Ų35.333%0.33221%0.208SC..  trans-64.8136.5177.5-166.5178.7154.800110.2S113 H177 I281S113-E278 PolarHBondContact OG-O 3.46Å; H177-E278 IonicContact CD2-OE1 2.76Å; H177-E278 IonicContact CE1-OE1 2.64Å; H177-E278 IonicContact CE1-OE2 2.77Å; H177-E278 PolarHBondContact CE1-OE2 2.97Å; H177-E278 VanDerWaalsContact NE2-CD 3.25Å; H177-E278 IonicContact NE2-OE1 3.58Å; H177-E278 PolarHBondContact NE2-OE1 3.26Å; H177-E278 IonicContact NE2-OE2 3.39Å; H177-E278 PolarHBondContact NE2-OE2 3.21Å; E278-I281 HydrophobicContact CB-CD1 3.86Å; E278-I281 HydrophobicContact CB-CG1 4.47Å; E278-I281 HydrophobicContact CG-CD1 3.94Å; E278-I281 HydrophobicContact CG-CG1 4.06Å
279C93.9Very high95.2Very high31 Ų3133.9 Ų33.921%0.20920%0.203CC..  trans-112.2149.4-176.1-60.40000110N111 I112 S113 D277 I281N111-C279 PolarHBondContact O-SG 3.48Å; N111-C279 VanDerWaalsContact O-SG 3.35Å; I112-C279 VanDerWaalsContact C-SG 3.58Å; S113-C279 PolarHBondContact N-SG 3.46Å; D277-C279 PolarHBondContact O-N 2.84Å; D277-C279 PolarHBondContact O-SG 2.88Å; D277-C279 VanDerWaalsContact O-SG 3.37Å; C279-I281 PolarHBondContact O-N 3.44Å
280G94.1Very high95Very high11 Ų1134.8 Ų34.811%0.11321%0.211CC..SBendtrans82.51.9172.800000115.9V282 A283 Q284G280-V282 PolarHBondContact O-N 3.36Å; G280-A283 WeakPolarHBondContact O-CB 3.05Å; G280-A283 PolarHBondContact O-N 2.99Å; G280-A283 VanDerWaalsContact O-N 3.11Å; G280-Q284 VanDerWaalsContact O-CG 3.31Å; G280-Q284 WeakPolarHBondContact O-CG 3.25Å; G280-Q284 PolarHBondContact O-N 3.04Å
281I96.4Very high94.9Very high12 Ų1239.4 Ų39.46%0.06224%0.237CC..Hα-helixtrans-56.5-50.8173.4-60.6168.3000110.4I269 L274 E278 C279 A283 Q284 D305I269-I281 HydrophobicContact CG2-CG2 4.05Å; L274-I281 HydrophobicContact CB-CD1 4.04Å; L274-I281 HydrophobicContact CD1-CD1 4.22Å; L274-I281 HydrophobicContact CD1-CG2 4.29Å; L274-I281 HydrophobicContact CD2-CD1 4.04Å; L274-I281 HydrophobicContact CG-CD1 4.32Å; E278-I281 HydrophobicContact CB-CD1 3.86Å; E278-I281 HydrophobicContact CB-CG1 4.47Å; E278-I281 HydrophobicContact CG-CD1 3.94Å; E278-I281 HydrophobicContact CG-CG1 4.06Å; C279-I281 PolarHBondContact O-N 3.44Å; I281-A283 VanDerWaalsContact C-N 3.27Å; I281-A283 PolarHBondContact O-N 2.84Å; I281-Q284 WeakPolarHBondContact O-CB 3.2Å; I281-Q284 PolarHBondContact O-N 3.44Å; I281-D305 WeakPolarHBondContact CG2-OD2 3.42Å
282V96.9Very high94.9Very high3 Ų339.7 Ų39.72%0.01824%0.236CC..Hα-helixtrans-61.9-36.5176.4-171.80000111.3V96 I104 V114 M116 G280 I285 S286 Y298V96-V282 HydrophobicContact CG2-CG1 4.27Å; I104-V282 HydrophobicContact CD1-CG1 4.43Å; I104-V282 HydrophobicContact CG2-CB 3.89Å; I104-V282 HydrophobicContact CG2-CG1 3.79Å; V114-V282 HydrophobicContact CG2-CB 4.24Å; V114-V282 HydrophobicContact CG2-CG2 3.83Å; M116-V282 HydrophobicContact CG-CB 4.38Å; M116-V282 HydrophobicContact CG-CG1 3.7Å; M116-V282 HydrophobicContact CG-CG2 3.79Å; M116-V282 HydrophobicContact SD-CG1 4.37Å; G280-V282 PolarHBondContact O-N 3.36Å; V282-I285 PolarHBondContact O-N 2.81Å; V282-S286 VanDerWaalsContact O-CB 3.28Å; V282-S286 WeakPolarHBondContact O-CB 3.28Å; V282-S286 PolarHBondContact O-N 3.27Å; V282-S286 PolarHBondContact O-OG 3.39Å; V282-Y298 HydrophobicContact CB-CE1 4.48Å; V282-Y298 HydrophobicContact CG1-CD1 4.4Å; V282-Y298 HydrophobicContact CG1-CD2 4.26Å; V282-Y298 HydrophobicContact CG1-CE1 4.27Å; V282-Y298 HydrophobicContact CG1-CE2 4.18Å; V282-Y298 HydrophobicContact CG1-CG 4.36Å; V282-Y298 HydrophobicContact CG2-CD1 4.48Å; V282-Y298 HydrophobicContact CG2-CE1 3.85Å
283A95.6Very high94.7Very high0 Ų039.5 Ų39.50%024%0.24CC..Hα-helixtrans-65.8-44.3178.400000111.9I104 A108 G280 I281 I285 S286 E287I104-A283 HydrophobicContact CG2-CB 3.97Å; A108-A283 HydrophobicContact CB-CB 3.95Å; G280-A283 WeakPolarHBondContact O-CB 3.05Å; G280-A283 PolarHBondContact O-N 2.99Å; G280-A283 VanDerWaalsContact O-N 3.11Å; I281-A283 VanDerWaalsContact C-N 3.27Å; I281-A283 PolarHBondContact O-N 2.84Å; A283-I285 PolarHBondContact O-N 3.16Å; A283-S286 PolarHBondContact O-N 3.31Å; A283-E287 WeakPolarHBondContact O-CB 3.41Å; A283-E287 WeakPolarHBondContact O-CG 3.49Å; A283-E287 PolarHBondContact O-N 2.77Å
284Q94.6Very high94.5Very high15 Ų1535.9 Ų35.97%0.0722%0.216CC..Hα-helixtrans-55-28.3177-71.8170.822.800112.9R173 P174 I175 G280 I281 P288R173-Q284 HydrophobicContact CB-CG 3.97Å; P174-Q284 WeakPolarHBondContact O-CG 3.39Å; P174-Q284 PolarHBondContact O-OE1 3.45Å; I175-Q284 HydrophobicContact CG1-CB 4.18Å; I175-Q284 WeakPolarHBondContact CG1-O 3.34Å; G280-Q284 VanDerWaalsContact O-CG 3.31Å; G280-Q284 WeakPolarHBondContact O-CG 3.25Å; G280-Q284 PolarHBondContact O-N 3.04Å; I281-Q284 WeakPolarHBondContact O-CB 3.2Å; I281-Q284 PolarHBondContact O-N 3.44Å; Q284-P288 VanDerWaalsContact O-CD 3.28Å; Q284-P288 WeakPolarHBondContact O-CD 3.2Å; Q284-P288 WeakPolarHBondContact O-CG 3.43Å
285I96Very high94.3Very high1 Ų137.8 Ų37.81%0.00523%0.229CC..Hα-helixtrans-96.2-47.8179-53.4-58.7000111.5I175 L179 I269 V282 A283 P288 L289 Y298 A307 L321I175-I285 HydrophobicContact CD1-CD1 4.46Å; I175-I285 HydrophobicContact CG1-CD1 4.33Å; I175-I285 HydrophobicContact CG2-CD1 4.46Å; L179-I285 HydrophobicContact CD1-CD1 4.44Å; L179-I285 HydrophobicContact CD2-CD1 3.85Å; I269-I285 HydrophobicContact CD1-CG1 4.3Å; I269-I285 HydrophobicContact CG1-CD1 4.04Å; I269-I285 HydrophobicContact CG1-CG1 4.05Å; V282-I285 PolarHBondContact O-N 2.81Å; A283-I285 PolarHBondContact O-N 3.16Å; I285-P288 WeakPolarHBondContact O-CD 3.42Å; I285-L289 HydrophobicContact CG2-CD1 3.93Å; I285-L289 WeakPolarHBondContact O-CG 3.35Å; I285-L289 PolarHBondContact O-N 3.07Å; I285-Y298 HydrophobicContact CB-CE2 3.97Å; I285-Y298 HydrophobicContact CG1-CE2 4.35Å; I285-Y298 HydrophobicContact CG2-CE2 3.99Å; I285-A307 HydrophobicContact CG2-CB 4.11Å; I285-L321 HydrophobicContact CD1-CD2 4.29Å; I285-L321 HydrophobicContact CG2-CD2 4.3Å
286S95.4Very high94.2Very high0 Ų035.8 Ų35.80%021%0.209CC..Hα-helixtrans-73.5-31.6-17361.40000113.5V282 A283 A290V282-S286 VanDerWaalsContact O-CB 3.28Å; V282-S286 WeakPolarHBondContact O-CB 3.28Å; V282-S286 PolarHBondContact O-N 3.27Å; V282-S286 PolarHBondContact O-OG 3.39Å; A283-S286 PolarHBondContact O-N 3.31Å; S286-A290 WeakPolarHBondContact O-CB 3.48Å; S286-A290 PolarHBondContact O-N 2.97Å
287E94.1Very high94.1Very high45 Ų4535.1 Ų35.121%0.2121%0.206CC..Hα-helixtrans-68.3-47.4179.5-68.8177.2128.600113.2A105 R173 A283 L289 A290 T291A105-E287 HydrophobicContact CB-CG 4.2Å; A105-E287 WeakPolarHBondContact CB-OE1 3.46Å; R173-E287 IonicContact CZ-OE1 3.59Å; R173-E287 IonicContact CZ-OE2 3.55Å; R173-E287 IonicContact NE-OE1 2.76Å; R173-E287 IonicContact NE-OE2 3.51Å; R173-E287 PolarHBondContact NE-OE2 3.34Å; R173-E287 IonicContact NH2-OE1 2.81Å; R173-E287 PolarHBondContact NH2-OE1 3.34Å; R173-E287 IonicContact NH2-OE2 3.35Å; A283-E287 WeakPolarHBondContact O-CB 3.41Å; A283-E287 WeakPolarHBondContact O-CG 3.49Å; A283-E287 PolarHBondContact O-N 2.77Å; E287-L289 VanDerWaalsContact C-N 3.34Å; E287-L289 PolarHBondContact O-N 2.64Å; E287-A290 PolarHBondContact O-N 2.76Å; E287-T291 WeakPolarHBondContact O-CB 3.4Å; E287-T291 PolarHBondContact O-N 2.95Å; E287-T291 PolarHBondContact O-OG1 2.72Å
288P94.1Very high94.3Very high35 Ų3529.9 Ų29.923%0.22718%0.177CC..Hα-helixtrans-62-40.4173.7-24.434.9000112.6Q284 I285 T291 A292 A320 L321Q284-P288 VanDerWaalsContact O-CD 3.28Å; Q284-P288 WeakPolarHBondContact O-CD 3.2Å; Q284-P288 WeakPolarHBondContact O-CG 3.43Å; I285-P288 WeakPolarHBondContact O-CD 3.42Å; P288-T291 PolarHBondContact O-N 2.8Å; P288-A292 PolarHBondContact O-N 2.84Å; P288-A320 HydrophobicContact CB-CB 4.29Å; P288-L321 HydrophobicContact CB-CD2 4.31Å
289L94.4Very high94.5Very high2 Ų226.6 Ų26.61%0.0116%0.162CC..Hα-helixtrans-65.6-42.5177.6-65.8179000111.8T97 I285 E287 T291 A292 D293 I294 A296 V309 V317 L321T97-L289 HydrophobicContact CG2-CB 3.69Å; I285-L289 HydrophobicContact CG2-CD1 3.93Å; I285-L289 WeakPolarHBondContact O-CG 3.35Å; I285-L289 PolarHBondContact O-N 3.07Å; E287-L289 VanDerWaalsContact C-N 3.34Å; E287-L289 PolarHBondContact O-N 2.64Å; L289-T291 VanDerWaalsContact C-N 3.3Å; L289-T291 PolarHBondContact O-N 3.36Å; L289-A292 CarbonylContact O-C 3.41Å; L289-A292 PolarHBondContact O-N 2.89Å; L289-A292 VanDerWaalsContact O-N 3.16Å; L289-D293 PolarHBondContact O-N 3.19Å; L289-I294 HydrophobicContact CB-CB 4.39Å; L289-I294 HydrophobicContact CD2-CB 4.24Å; L289-I294 HydrophobicContact CD2-CD1 4.1Å; L289-I294 HydrophobicContact CD2-CG2 4.32Å; L289-I294 PolarHBondContact O-N 3.26Å; L289-A296 HydrophobicContact CD1-CB 4.08Å; L289-V309 HydrophobicContact CD1-CG1 4.04Å; L289-V317 HydrophobicContact CD2-CB 4.34Å; L289-V317 HydrophobicContact CD2-CG1 4.12Å; L289-V317 HydrophobicContact CD2-CG2 3.97Å; L289-L321 HydrophobicContact CD2-CD2 4.42Å; L289-L321 HydrophobicContact CD2-CG 4.44Å; L289-L321 HydrophobicContact CG-CD2 4.34Å
290A92.8Very high94.7Very high21 Ų2125.1 Ų25.117%0.17415%0.153CC..Hα-helixtrans-63.7-35.6174.200000112.3T97 A100 S286 E287 A292 D293T97-A290 WeakPolarHBondContact O-CB 3.09Å; A100-A290 HydrophobicContact CB-CB 3.79Å; S286-A290 WeakPolarHBondContact O-CB 3.48Å; S286-A290 PolarHBondContact O-N 2.97Å; E287-A290 PolarHBondContact O-N 2.76Å; A290-A292 VanDerWaalsContact C-N 3.29Å; A290-A292 PolarHBondContact O-N 2.95Å; A290-D293 PolarHBondContact O-N 3.43Å
291T92Very high94.9Very high104 Ų10424.8 Ų24.864%0.63815%0.148SC*.Hα-helixtrans-67.8-32.1175.2-59.90000111.9E287 P288 L289 D293E287-T291 WeakPolarHBondContact O-CB 3.4Å; E287-T291 PolarHBondContact O-N 2.95Å; E287-T291 PolarHBondContact O-OG1 2.72Å; P288-T291 PolarHBondContact O-N 2.8Å; L289-T291 VanDerWaalsContact C-N 3.3Å; L289-T291 PolarHBondContact O-N 3.36Å; T291-D293 VanDerWaalsContact C-N 3.32Å
292A91.9Very high95Very high48 Ų4825.9 Ų25.940%0.39715%0.152SC..THydrogen-bonded Turntrans-873.8174.700000114P288 L289 A290 I294 A320P288-A292 PolarHBondContact O-N 2.84Å; L289-A292 CarbonylContact O-C 3.41Å; L289-A292 PolarHBondContact O-N 2.89Å; L289-A292 VanDerWaalsContact O-N 3.16Å; A290-A292 VanDerWaalsContact C-N 3.29Å; A290-A292 PolarHBondContact O-N 2.95Å; A292-I294 VanDerWaalsContact C-N 3.25Å; A292-I294 HydrophobicContact CB-CD1 3.74Å; A292-I294 HydrophobicContact CB-CG1 3.83Å; A292-I294 PolarHBondContact O-N 3.03Å; A292-A320 HydrophobicContact CB-CB 4.3Å
293D91Very high95.1Very high146 Ų14628.5 Ų28.578%0.78116%0.164SC*.THydrogen-bonded Turntrans53.639-175.5-161.536.5000113.5L289 A290 T291L289-D293 PolarHBondContact O-N 3.19Å; A290-D293 PolarHBondContact O-N 3.43Å; T291-D293 VanDerWaalsContact C-N 3.32Å
294I92.3Very high95.2Very high1 Ų129.2 Ų29.21%0.00517%0.167CC..  trans-98.3121.7178.9-57176.3000108T97 L289 A292 V309 N313 V317T97-I294 WeakPolarHBondContact CB-O 3.13Å; T97-I294 WeakPolarHBondContact CG2-O 3.25Å; T97-I294 PolarHBondContact OG1-O 3.48Å; L289-I294 HydrophobicContact CB-CB 4.39Å; L289-I294 HydrophobicContact CD2-CB 4.24Å; L289-I294 HydrophobicContact CD2-CD1 4.1Å; L289-I294 HydrophobicContact CD2-CG2 4.32Å; L289-I294 PolarHBondContact O-N 3.26Å; A292-I294 VanDerWaalsContact C-N 3.25Å; A292-I294 HydrophobicContact CB-CD1 3.74Å; A292-I294 HydrophobicContact CB-CG1 3.83Å; A292-I294 PolarHBondContact O-N 3.03Å; I294-V309 HydrophobicContact CG2-CG1 4.47Å; I294-N313 HydrophobicContact CG2-CB 4.09Å; I294-V317 HydrophobicContact CD1-CG2 3.81Å; I294-V317 HydrophobicContact CG2-CG2 3.89Å
295P91.9Very high95.4Very high58 Ų5829 Ų2938%0.37717%0.166SC..  trans-69.7150172.630.2-33.6000110.2T97 P310T97-P295 WeakPolarHBondContact OG1-CA 3.46Å; P295-P310 HydrophobicContact CG-CG 3.68Å; P295-P310 VanDerWaalsContact O-CD 3.26Å; P295-P310 WeakPolarHBondContact O-CD 3.18Å
296A93.9Very high95.5Very high2 Ų229 Ų292%0.01717%0.166CC..  trans-148.4147.3171.800000111.2V96 T97 L289 L308 V309V96-A296 HydrophobicContact CG1-CB 3.97Å; V96-A296 WeakPolarHBondContact CG1-O 3.38Å; V96-A296 PolarHBondContact N-O 2.78Å; V96-A296 VanDerWaalsContact N-O 3.16Å; T97-A296 HydrophobicContact CG2-CB 4.02Å; L289-A296 HydrophobicContact CD1-CB 4.08Å; A296-L308 CarbonylContact C-O 3.53Å; A296-L308 WeakPolarHBondContact CA-O 3.16Å; A296-L308 WeakPolarHBondContact CB-O 3.44Å; A296-V309 HydrophobicContact CB-CG1 4.01Å
297Y95.9Very high95.6Very high20 Ų2029 Ų298%0.07817%0.166CC..EExtended strand (participates in β ladder)trans-92.1153.5155.9-60.1-78.4000108.9V188 W264 A307 L308V188-Y297 HydrophobicContact CB-CD2 4.41Å; V188-Y297 HydrophobicContact CB-CE2 3.97Å; V188-Y297 HydrophobicContact CG1-CD2 4.5Å; V188-Y297 HydrophobicContact CG1-CE1 4.31Å; V188-Y297 HydrophobicContact CG1-CE2 4.09Å; V188-Y297 HydrophobicContact CG2-CD2 3.73Å; V188-Y297 HydrophobicContact CG2-CE2 3.77Å; V188-Y297 HydrophobicContact CG2-CG 4.43Å; W264-Y297 HydrophobicContact CD2-CD2 4.07Å; W264-Y297 HydrophobicContact CD2-CE2 4.1Å; W264-Y297 AromaticContact CE2-CE2 3.64Å; W264-Y297 AromaticContact CE3-CD2 3.94Å; W264-Y297 HydrophobicContact CE3-CD2 3.94Å; W264-Y297 HydrophobicContact CE3-CE2 4.24Å; W264-Y297 AromaticContact CH2-CD2 3.97Å; W264-Y297 HydrophobicContact CH2-CD2 3.97Å; W264-Y297 AromaticContact CH2-CE2 3.6Å; W264-Y297 HydrophobicContact CH2-CE2 3.6Å; W264-Y297 HydrophobicContact CZ2-CD2 4.08Å; W264-Y297 AromaticContact CZ2-CE2 3.39Å; W264-Y297 HydrophobicContact CZ2-CE2 3.39Å; W264-Y297 AromaticContact CZ3-CD2 3.88Å; W264-Y297 HydrophobicContact CZ3-CD2 3.88Å; W264-Y297 HydrophobicContact CZ3-CE2 4.01Å; Y297-A307 CarbonylContact O-C 3.57Å; Y297-A307 VanDerWaalsContact O-CA 3.31Å; Y297-A307 WeakPolarHBondContact O-CA 3.26Å; Y297-L308 PolarHBondContact N-O 3.31Å; Y297-L308 PolarHBondContact O-N 3.3Å
298Y98.1Very high95.7Very high1 Ų126.9 Ų26.90%0.00416%0.156CC..EExtended strand (participates in β ladder)trans-138.5120.1-178.8-151.7-73.1000110.9V96 M116 S118 I269 V282 I285 D305 H306 A307V96-Y298 HydrophobicContact CG1-CD2 4.5Å; M116-Y298 HydrophobicContact CB-CD1 3.64Å; M116-Y298 HydrophobicContact CB-CE1 4.46Å; M116-Y298 HydrophobicContact CB-CG 4.27Å; M116-Y298 HydrophobicContact CG-CD1 3.99Å; M116-Y298 HydrophobicContact CG-CG 4.45Å; S118-Y298 VanDerWaalsContact CB-N 3.3Å; S118-Y298 VanDerWaalsContact CB-O 3.3Å; S118-Y298 WeakPolarHBondContact CB-O 2.93Å; S118-Y298 PolarHBondContact N-O 2.8Å; S118-Y298 PolarHBondContact OG-N 2.84Å; S118-Y298 PolarHBondContact OG-O 3Å; I269-Y298 HydrophobicContact CD1-CE2 4.27Å; V282-Y298 HydrophobicContact CB-CE1 4.48Å; V282-Y298 HydrophobicContact CG1-CD1 4.4Å; V282-Y298 HydrophobicContact CG1-CD2 4.26Å; V282-Y298 HydrophobicContact CG1-CE1 4.27Å; V282-Y298 HydrophobicContact CG1-CE2 4.18Å; V282-Y298 HydrophobicContact CG1-CG 4.36Å; V282-Y298 HydrophobicContact CG2-CD1 4.48Å; V282-Y298 HydrophobicContact CG2-CE1 3.85Å; I285-Y298 HydrophobicContact CB-CE2 3.97Å; I285-Y298 HydrophobicContact CG1-CE2 4.35Å; I285-Y298 HydrophobicContact CG2-CE2 3.99Å; Y298-D305 HydrophobicContact CE1-CB 3.57Å; Y298-D305 VanDerWaalsContact OH-CB 3.31Å; Y298-D305 WeakPolarHBondContact OH-CB 3.35Å; Y298-D305 PolarHBondContact OH-OD2 3.43Å; Y298-D305 VanDerWaalsContact OH-OD2 3.12Å; Y298-H306 CarbonylContact C-O 3.56Å; Y298-H306 WeakPolarHBondContact CA-O 3.35Å; Y298-A307 HydrophobicContact CD2-CB 3.96Å; Y298-A307 HydrophobicContact CE2-CB 4.12Å
299I98.6Very high95.8Very high2 Ų225.2 Ų25.21%0.0115%0.145CC..EExtended strand (participates in β ladder)trans-122.8111.4178.5-59.6176000108.5T45 L117 F228 V241 T301 H306T45-I299 HydrophobicContact CG2-CG2 4.31Å; L117-I299 HydrophobicContact CD1-CG2 4.4Å; F228-I299 HydrophobicContact CE1-CD1 4.33Å; F228-I299 HydrophobicContact CZ-CB 4.33Å; F228-I299 HydrophobicContact CZ-CD1 4.19Å; F228-I299 HydrophobicContact CZ-CG2 4.21Å; V241-I299 HydrophobicContact CB-CD1 4.42Å; V241-I299 HydrophobicContact CG2-CD1 3.82Å; I299-T301 HydrophobicContact CG2-CG2 4.47Å; I299-H306 PolarHBondContact N-O 3.18Å; I299-H306 WeakPolarHBondContact O-CB 3.45Å; I299-H306 PolarHBondContact O-N 2.75Å; I299-H306 PolarHBondContact O-ND1 3.3Å; I299-H306 VanDerWaalsContact O-ND1 3.16Å
300S98.7Very high95.7Very high1 Ų125.3 Ų25.31%0.00715%0.146CC..EExtended strand (participates in β ladder)trans-77.6135.9166.3-64.10000109.6F115 M116 D305F115-S300 VanDerWaalsContact CE1-CB 3.41Å; F115-S300 WeakPolarHBondContact CE1-O 3.39Å; F115-S300 VanDerWaalsContact CZ-CB 3.43Å; F115-S300 WeakPolarHBondContact CZ-O 3.28Å; M116-S300 PolarHBondContact N-OG 2.88Å; M116-S300 VanDerWaalsContact N-OG 3.1Å; M116-S300 PolarHBondContact O-N 3.36Å; S300-D305 WeakPolarHBondContact CA-OD1 3.36Å; S300-D305 WeakPolarHBondContact CB-OD1 3.47Å; S300-D305 PolarHBondContact OG-OD1 3.16Å
301T98.7Very high95.5Very high3 Ų328.4 Ų28.42%0.01816%0.157CC..  trans-114.5172.8168.376.40000109.1T45 T47 T52 F115 F228 I299 K303 F304 H306T45-T301 HydrophobicContact CG2-CG2 3.75Å; T47-T301 HydrophobicContact CG2-CG2 3.68Å; T52-T301 WeakPolarHBondContact OG1-CB 3.36Å; F115-T301 VanDerWaalsContact CE2-O 3.31Å; F115-T301 WeakPolarHBondContact CE2-O 3.41Å; F115-T301 WeakPolarHBondContact CZ-O 3.38Å; F228-T301 HydrophobicContact CE2-CG2 4.34Å; I299-T301 HydrophobicContact CG2-CG2 4.47Å; T301-K303 PolarHBondContact O-N 2.67Å; T301-F304 WeakPolarHBondContact CA-O 3.33Å; T301-F304 PolarHBondContact N-O 2.79Å; T301-F304 PolarHBondContact OG1-N 3.34Å; T301-F304 PolarHBondContact OG1-O 2.92Å; T301-H306 VanDerWaalsContact CG2-CE1 3.45Å; T301-H306 WeakPolarHBondContact CG2-CE1 3.28Å; T301-H306 PolarHBondContact OG1-CE1 2.86Å
302F98.3Very high95.3Very high35 Ų3530.2 Ų30.215%0.15416%0.158CC..SBendtrans-57.9-26.1-175.3-163.1-86.1000113.1V12 S14 T52 F276V12-F302 HydrophobicContact CG1-CD2 4.21Å; S14-F302 VanDerWaalsContact CB-CD2 3.48Å; T52-F302 HydrophobicContact CG2-CB 4.19Å; T52-F302 WeakPolarHBondContact OG1-CB 3.32Å; T52-F302 PolarHBondContact OG1-N 2.93Å; F276-F302 HydrophobicContact CE2-CD1 4.42Å; F276-F302 HydrophobicContact CE2-CD2 4.22Å; F276-F302 HydrophobicContact CE2-CE1 4.05Å; F276-F302 AromaticContact CE2-CE2 3.83Å; F276-F302 HydrophobicContact CE2-CE2 3.83Å; F276-F302 HydrophobicContact CE2-CG 4.48Å; F276-F302 AromaticContact CE2-CZ 3.73Å; F276-F302 HydrophobicContact CE2-CZ 3.73Å; F276-F302 HydrophobicContact CZ-CD1 4.24Å; F276-F302 AromaticContact CZ-CD2 3.55Å; F276-F302 HydrophobicContact CZ-CD2 3.55Å; F276-F302 HydrophobicContact CZ-CE1 4.26Å; F276-F302 AromaticContact CZ-CE2 3.57Å; F276-F302 HydrophobicContact CZ-CE2 3.57Å; F276-F302 AromaticContact CZ-CG 3.88Å; F276-F302 HydrophobicContact CZ-CG 3.88Å; F276-F302 AromaticContact CZ-CZ 3.93Å; F276-F302 HydrophobicContact CZ-CZ 3.93Å
303K98.1Very high95.1Very high58 Ų5829.9 Ų29.925%0.25215%0.15SC..SBendtrans-114-34.3-177.5-63178.1-175.5171.30113.4E49 D50 P273 L274 T301E49-K303 HydrophobicContact CB-CD 3.9Å; E49-K303 HydrophobicContact CG-CD 4.39Å; D50-K303 WeakPolarHBondContact OD2-CE 3.4Å; D50-K303 IonicContact OD2-NZ 3.4Å; P273-K303 CarbonylContact C-O 3.53Å; P273-K303 VanDerWaalsContact CA-O 3.28Å; P273-K303 WeakPolarHBondContact CA-O 3.2Å; P273-K303 HydrophobicContact CB-CB 4.19Å; P273-K303 HydrophobicContact CB-CG 4.24Å; P273-K303 HydrophobicContact CG-CB 4.39Å; P273-K303 HydrophobicContact CG-CD 4.45Å; P273-K303 HydrophobicContact CG-CG 4.29Å; L274-K303 PolarHBondContact N-O 2.86Å; T301-K303 PolarHBondContact O-N 2.67Å
304F98.5Very high94.8Very high16 Ų1624.7 Ų24.77%0.0712%0.121CC..  trans-140.8158.8-168-59-76.8000112E49 G270 Q272 T301 H306E49-F304 HydrophobicContact CG-CE2 4.12Å; G270-F304 WeakPolarHBondContact O-CD1 3.47Å; G270-F304 WeakPolarHBondContact O-CE1 3.38Å; Q272-F304 WeakPolarHBondContact O-CE1 3.32Å; T301-F304 WeakPolarHBondContact CA-O 3.33Å; T301-F304 PolarHBondContact N-O 2.79Å; T301-F304 PolarHBondContact OG1-N 3.34Å; T301-F304 PolarHBondContact OG1-O 2.92Å; F304-H306 PolarHBondContact O-CE1 3.41Å; F304-H306 PolarHBondContact O-ND1 3.42Å
305D98.5Very high94.6Very high10 Ų1030.8 Ų30.85%0.05315%0.15CC..EExtended strand (participates in β ladder)trans-103.4150.8173.8-80.6-12.1000110.7I269 L274 I281 Y298 S300I269-D305 HydrophobicContact CB-CB 4.01Å; I269-D305 HydrophobicContact CD1-CB 4.06Å; I269-D305 WeakPolarHBondContact CD1-O 3.13Å; I269-D305 PolarHBondContact N-O 2.85Å; I269-D305 PolarHBondContact O-N 3.49Å; L274-D305 HydrophobicContact CD1-CB 3.92Å; I281-D305 WeakPolarHBondContact CG2-OD2 3.42Å; Y298-D305 HydrophobicContact CE1-CB 3.57Å; Y298-D305 VanDerWaalsContact OH-CB 3.31Å; Y298-D305 WeakPolarHBondContact OH-CB 3.35Å; Y298-D305 PolarHBondContact OH-OD2 3.43Å; Y298-D305 VanDerWaalsContact OH-OD2 3.12Å; S300-D305 WeakPolarHBondContact CA-OD1 3.36Å; S300-D305 WeakPolarHBondContact CB-OD1 3.47Å; S300-D305 PolarHBondContact OG-OD1 3.16Å
306H98.3Very high94.5Very high1 Ų130.3 Ų30.31%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-138.4114.3-176.7-49.178000109.7F228 M266 Y298 I299 T301 F304F228-H306 HydrophobicContact CE2-CB 4.2Å; F228-H306 AromaticContact CE2-CD2 3.74Å; F228-H306 AromaticContact CE2-CE1 4Å; F228-H306 AromaticContact CE2-CG 3.63Å; F228-H306 AromaticContact CE2-ND1 3.78Å; F228-H306 AromaticContact CE2-NE2 3.98Å; F228-H306 HydrophobicContact CZ-CB 4.4Å; M266-H306 HydrophobicContact CE-CB 4.14Å; M266-H306 HydrophobicContact CG-CB 4.44Å; M266-H306 HydrophobicContact SD-CB 4.34Å; Y298-H306 CarbonylContact C-O 3.56Å; Y298-H306 WeakPolarHBondContact CA-O 3.35Å; I299-H306 PolarHBondContact N-O 3.18Å; I299-H306 WeakPolarHBondContact O-CB 3.45Å; I299-H306 PolarHBondContact O-N 2.75Å; I299-H306 PolarHBondContact O-ND1 3.3Å; I299-H306 VanDerWaalsContact O-ND1 3.16Å; T301-H306 VanDerWaalsContact CG2-CE1 3.45Å; T301-H306 WeakPolarHBondContact CG2-CE1 3.28Å; T301-H306 PolarHBondContact OG1-CE1 2.86Å; F304-H306 PolarHBondContact O-CE1 3.41Å; F304-H306 PolarHBondContact O-ND1 3.42Å
307A97.5Very high94.4Very high0 Ų030.2 Ų30.20%015%0.147CC..EExtended strand (participates in β ladder)trans-95.9130.7169.400000109.6M266 V267 I269 I285 Y297 Y298M266-A307 CarbonylContact C-O 3.57Å; M266-A307 WeakPolarHBondContact CA-O 3.24Å; V267-A307 HydrophobicContact CB-CB 4.43Å; V267-A307 PolarHBondContact N-O 3.09Å; V267-A307 PolarHBondContact O-N 3.33Å; I269-A307 HydrophobicContact CD1-CB 4.19Å; I285-A307 HydrophobicContact CG2-CB 4.11Å; Y297-A307 CarbonylContact O-C 3.57Å; Y297-A307 VanDerWaalsContact O-CA 3.31Å; Y297-A307 WeakPolarHBondContact O-CA 3.26Å; Y298-A307 HydrophobicContact CD2-CB 3.96Å; Y298-A307 HydrophobicContact CE2-CB 4.12Å
308L96.6Very high94Very high1 Ų131.7 Ų31.71%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-104121.7170.8-59.1171.6000108F186 V188 V241 W264 K265 M266 A296 Y297F186-L308 HydrophobicContact CB-CD2 4.22Å; F186-L308 HydrophobicContact CD2-CD2 4Å; F186-L308 HydrophobicContact CG-CD2 4.17Å; V188-L308 HydrophobicContact CG2-CD1 3.89Å; V241-L308 HydrophobicContact CG1-CD1 3.59Å; V241-L308 HydrophobicContact CG2-CD1 4.43Å; W264-L308 HydrophobicContact CB-CB 4.05Å; W264-L308 HydrophobicContact CE3-CB 4.25Å; K265-L308 WeakPolarHBondContact O-CA 3.21Å; M266-L308 HydrophobicContact CB-CD2 3.9Å; M266-L308 HydrophobicContact CE-CD2 3.85Å; M266-L308 HydrophobicContact CG-CD2 4.34Å; A296-L308 CarbonylContact C-O 3.53Å; A296-L308 WeakPolarHBondContact CA-O 3.16Å; A296-L308 WeakPolarHBondContact CB-O 3.44Å; Y297-L308 PolarHBondContact N-O 3.31Å; Y297-L308 PolarHBondContact O-N 3.3Å
309V94.9Very high93.6Very high0 Ų039.9 Ų39.90%019%0.187CC..EExtended strand (participates in β ladder)trans-121.2152.7-178.2-68.10000109.8W264 K265 V267 L289 I294 A296 E311 V317W264-V309 CarbonylContact C-O 3.53Å; W264-V309 WeakPolarHBondContact CA-O 3.21Å; K265-V309 HydrophobicContact CB-CG2 4.23Å; K265-V309 PolarHBondContact N-O 3.42Å; K265-V309 WeakPolarHBondContact O-CG2 3.46Å; K265-V309 PolarHBondContact O-N 2.87Å; V267-V309 HydrophobicContact CG2-CG2 4.36Å; L289-V309 HydrophobicContact CD1-CG1 4.04Å; I294-V309 HydrophobicContact CG2-CG1 4.47Å; A296-V309 HydrophobicContact CB-CG1 4.01Å; V309-E311 PolarHBondContact O-N 3.17Å; V309-V317 HydrophobicContact CB-CG2 3.81Å; V309-V317 HydrophobicContact CG1-CG1 4.43Å; V309-V317 HydrophobicContact CG1-CG2 3.91Å; V309-V317 HydrophobicContact CG2-CB 4.46Å; V309-V317 HydrophobicContact CG2-CG1 4.23Å; V309-V317 HydrophobicContact CG2-CG2 3.82Å
310P92.6Very high93.2Very high3 Ų340.6 Ų40.62%0.01919%0.193CC..EExtended strand (participates in β ladder)trans-58.1138.3177.8-21.431.2000110.9W264 P295 E312 N313W264-P310 HydrophobicContact CE3-CG 4.38Å; W264-P310 HydrophobicContact CH2-CG 4.17Å; W264-P310 HydrophobicContact CZ3-CG 3.82Å; P295-P310 HydrophobicContact CG-CG 3.68Å; P295-P310 VanDerWaalsContact O-CD 3.26Å; P295-P310 WeakPolarHBondContact O-CD 3.18Å; P310-E312 VanDerWaalsContact C-N 3.27Å; P310-E312 VanDerWaalsContact CB-CD 3.49Å; P310-E312 HydrophobicContact CB-CG 4.43Å; P310-E312 WeakPolarHBondContact CB-OE1 3.12Å; P310-E312 WeakPolarHBondContact CB-OE2 3.42Å; P310-E312 PolarHBondContact O-N 3.07Å; P310-N313 HydrophobicContact CB-CB 4.29Å; P310-N313 PolarHBondContact O-N 3.3Å; P310-N313 VanDerWaalsContact O-N 3.09Å
311E89.1Confident92.7Very high87 Ų8741.3 Ų41.341%0.40720%0.196SC..G310 helixtrans-53.9-46.8-179.6-173.8-170.4171.800111.9M185 L263 K265 V309 N313 I314M185-E311 HydrophobicContact CE-CB 3.59Å; M185-E311 VanDerWaalsContact CE-CD 3.4Å; M185-E311 HydrophobicContact CE-CG 3.47Å; M185-E311 VanDerWaalsContact CE-CG 3.47Å; M185-E311 VanDerWaalsContact CE-OE2 3.28Å; M185-E311 WeakPolarHBondContact CE-OE2 3.49Å; M185-E311 HydrophobicContact SD-CG 4.23Å; L263-E311 PolarHBondContact O-N 2.97Å; K265-E311 HydrophobicContact CG-CB 4.44Å; K265-E311 HydrophobicContact CG-CG 4.26Å; V309-E311 PolarHBondContact O-N 3.17Å; E311-N313 PolarHBondContact O-N 3.5Å; E311-N313 VanDerWaalsContact O-N 3.14Å; E311-I314 WeakPolarHBondContact O-CB 3.36Å; E311-I314 VanDerWaalsContact O-CG2 3.32Å; E311-I314 WeakPolarHBondContact O-CG2 3.39Å; E311-I314 PolarHBondContact O-N 3.07Å; E311-I314 VanDerWaalsContact O-N 3.07Å
312E87.9Confident91.8Very high141 Ų14149.8 Ų49.866%0.65923%0.228SC*.G310 helixtrans-64-20.5-176.568.2-82.7-162.700112.5P310P310-E312 VanDerWaalsContact C-N 3.27Å; P310-E312 VanDerWaalsContact CB-CD 3.49Å; P310-E312 HydrophobicContact CB-CG 4.43Å; P310-E312 WeakPolarHBondContact CB-OE1 3.12Å; P310-E312 WeakPolarHBondContact CB-OE2 3.42Å; P310-E312 PolarHBondContact O-N 3.07Å
313N87.3Confident89.7Confident42 Ų4252.7 Ų52.723%0.22525%0.249CC..G310 helixtrans-92.20178.5-71.675.2000113.7I294 P310 E311 Q315 S316 V317I294-N313 HydrophobicContact CG2-CB 4.09Å; P310-N313 HydrophobicContact CB-CB 4.29Å; P310-N313 PolarHBondContact O-N 3.3Å; P310-N313 VanDerWaalsContact O-N 3.09Å; E311-N313 PolarHBondContact O-N 3.5Å; E311-N313 VanDerWaalsContact O-N 3.14Å; N313-Q315 VanDerWaalsContact C-N 3.29Å; N313-Q315 PolarHBondContact O-N 3.24Å; N313-Q315 VanDerWaalsContact O-N 3.12Å; N313-S316 CarbonylContact O-C 3.6Å; N313-S316 WeakPolarHBondContact O-CA 3.32Å; N313-S316 WeakPolarHBondContact O-CB 3.38Å; N313-S316 PolarHBondContact O-N 3.14Å; N313-V317 HydrophobicContact CB-CG2 4.39Å; N313-V317 WeakPolarHBondContact O-CG2 3.1Å; N313-V317 PolarHBondContact O-N 2.87Å
314I85.8Confident87.2Confident36 Ų3655.8 Ų55.819%0.18526%0.264CS..Hα-helixtrans-55.7-38.2-170.5-168.958.3000114K265 E311 V317 I318K265-I314 HydrophobicContact CB-CD1 4.11Å; K265-I314 HydrophobicContact CG-CD1 4.43Å; E311-I314 WeakPolarHBondContact O-CB 3.36Å; E311-I314 VanDerWaalsContact O-CG2 3.32Å; E311-I314 WeakPolarHBondContact O-CG2 3.39Å; E311-I314 PolarHBondContact O-N 3.07Å; E311-I314 VanDerWaalsContact O-N 3.07Å; I314-V317 PolarHBondContact O-N 3.31Å; I314-I318 HydrophobicContact CG1-CD1 4.17Å; I314-I318 VanDerWaalsContact O-CG1 3.26Å; I314-I318 WeakPolarHBondContact O-CG1 3.42Å; I314-I318 PolarHBondContact O-N 3.28Å
315Q87.4Confident84.3Confident129 Ų12960.1 Ų60.160%0.60330%0.297SS*.Hα-helixtrans-68.2-37177.4-64.7-59.7-33.600112.2N313 R319N313-Q315 VanDerWaalsContact C-N 3.29Å; N313-Q315 PolarHBondContact O-N 3.24Å; N313-Q315 VanDerWaalsContact O-N 3.12Å; Q315-R319 PolarHBondContact O-N 3.01Å
316S90.3Very high81.2Confident48 Ų4866.2 Ų66.234%0.33633%0.334SS..Hα-helixtrans-69.6-38.4175.2-60.80000111.3N313 R319 A320N313-S316 CarbonylContact O-C 3.6Å; N313-S316 WeakPolarHBondContact O-CA 3.32Å; N313-S316 WeakPolarHBondContact O-CB 3.38Å; N313-S316 PolarHBondContact O-N 3.14Å; S316-R319 PolarHBondContact O-N 2.9Å; S316-A320 WeakPolarHBondContact O-CB 3.41Å; S316-A320 PolarHBondContact O-N 2.92Å
317V91.4Very high78Confident1 Ų170.5 Ų70.51%0.00637%0.37CS..Hα-helixtrans-61.3-50.6173.6171.10000110.6V267 L289 I294 V309 N313 I314 R319 A320 L321V267-V317 HydrophobicContact CG2-CG1 4.02Å; L289-V317 HydrophobicContact CD2-CB 4.34Å; L289-V317 HydrophobicContact CD2-CG1 4.12Å; L289-V317 HydrophobicContact CD2-CG2 3.97Å; I294-V317 HydrophobicContact CD1-CG2 3.81Å; I294-V317 HydrophobicContact CG2-CG2 3.89Å; V309-V317 HydrophobicContact CB-CG2 3.81Å; V309-V317 HydrophobicContact CG1-CG1 4.43Å; V309-V317 HydrophobicContact CG1-CG2 3.91Å; V309-V317 HydrophobicContact CG2-CB 4.46Å; V309-V317 HydrophobicContact CG2-CG1 4.23Å; V309-V317 HydrophobicContact CG2-CG2 3.82Å; N313-V317 HydrophobicContact CB-CG2 4.39Å; N313-V317 WeakPolarHBondContact O-CG2 3.1Å; N313-V317 PolarHBondContact O-N 2.87Å; I314-V317 PolarHBondContact O-N 3.31Å; V317-R319 PolarHBondContact O-N 3.37Å; V317-A320 PolarHBondContact O-N 2.88Å; V317-L321 HydrophobicContact CG1-CD1 3.62Å; V317-L321 HydrophobicContact CG1-CG 4.22Å; V317-L321 WeakPolarHBondContact O-CB 3.25Å; V317-L321 WeakPolarHBondContact O-CG 3.43Å; V317-L321 PolarHBondContact O-N 2.91Å
318I87.1Confident74.8Confident50 Ų5083.5 Ų83.526%0.25643%0.431SS..Hα-helixtrans-57-42.6177-71.6167.3000110.5I314 R322I314-I318 HydrophobicContact CG1-CD1 4.17Å; I314-I318 VanDerWaalsContact O-CG1 3.26Å; I314-I318 WeakPolarHBondContact O-CG1 3.42Å; I314-I318 PolarHBondContact O-N 3.28Å; I318-R322 HydrophobicContact CG2-CG 4.2Å; I318-R322 WeakPolarHBondContact O-CB 3.26Å; I318-R322 WeakPolarHBondContact O-CG 3.14Å; I318-R322 PolarHBondContact O-N 2.95Å
319R89.2Confident73.7Confident174 Ų17487.7 Ų87.766%0.65745%0.452SS*.Hα-helixtrans-62.9-50.4177.1-170-177.8-60.9131.94.2111.1Q315 S316 V317 L321 R322 T323Q315-R319 PolarHBondContact O-N 3.01Å; S316-R319 PolarHBondContact O-N 2.9Å; V317-R319 PolarHBondContact O-N 3.37Å; R319-L321 VanDerWaalsContact C-N 3.33Å; R319-L321 PolarHBondContact O-N 3.12Å; R319-R322 PolarHBondContact O-N 2.83Å; R319-T323 PolarHBondContact O-OG1 3.37Å
320A90.1Very high72.6Confident16 Ų1692.3 Ų92.313%0.13248%0.476CS..Hα-helixtrans-60.1-41.9-178.900000112.3P288 A292 S316 V317 T323P288-A320 HydrophobicContact CB-CB 4.29Å; A292-A320 HydrophobicContact CB-CB 4.3Å; S316-A320 WeakPolarHBondContact O-CB 3.41Å; S316-A320 PolarHBondContact O-N 2.92Å; V317-A320 PolarHBondContact O-N 2.88Å; A320-T323 PolarHBondContact O-OG1 3.05Å
321L88.4Confident71.5Confident16 Ų1697.2 Ų97.28%0.08450%0.502CS..Hα-helixtrans-86.2-9.5-176.4-59.3-178.9000114.2I175 L179 V267 I285 P288 L289 V317 R319I175-L321 HydrophobicContact CD1-CB 3.84Å; I175-L321 HydrophobicContact CD1-CD2 3.69Å; I175-L321 HydrophobicContact CD1-CG 4.36Å; I175-L321 WeakPolarHBondContact CD1-O 3.39Å; L179-L321 HydrophobicContact CD1-CB 3.86Å; L179-L321 HydrophobicContact CD1-CD1 3.94Å; L179-L321 HydrophobicContact CD1-CG 4.44Å; V267-L321 HydrophobicContact CG1-CD1 4.15Å; V267-L321 HydrophobicContact CG2-CD1 4.45Å; I285-L321 HydrophobicContact CD1-CD2 4.29Å; I285-L321 HydrophobicContact CG2-CD2 4.3Å; P288-L321 HydrophobicContact CB-CD2 4.31Å; L289-L321 HydrophobicContact CD2-CD2 4.42Å; L289-L321 HydrophobicContact CD2-CG 4.44Å; L289-L321 HydrophobicContact CG-CD2 4.34Å; V317-L321 HydrophobicContact CG1-CD1 3.62Å; V317-L321 HydrophobicContact CG1-CG 4.22Å; V317-L321 WeakPolarHBondContact O-CB 3.25Å; V317-L321 WeakPolarHBondContact O-CG 3.43Å; V317-L321 PolarHBondContact O-N 2.91Å; R319-L321 VanDerWaalsContact C-N 3.33Å; R319-L321 PolarHBondContact O-N 3.12Å
322R79.9Confident70.5Confident181 Ų18197.8 Ų97.868%0.68351%0.507SS*.Hα-helixtrans-92-10.9173.9-78.7-178.2178.7170.23.6113.9I318 R319 E324I318-R322 HydrophobicContact CG2-CG 4.2Å; I318-R322 WeakPolarHBondContact O-CB 3.26Å; I318-R322 WeakPolarHBondContact O-CG 3.14Å; I318-R322 PolarHBondContact O-N 2.95Å; R319-R322 PolarHBondContact O-N 2.83Å; R322-E324 PolarHBondContact O-N 3.01Å
323T55.6Low69.4Low97 Ų9795.1 Ų95.160%0.59550%0.498SS*.THydrogen-bonded Turntrans-70.95.7-162.8-13.30000117R319 A320R319-T323 PolarHBondContact O-OG1 3.37Å; A320-T323 PolarHBondContact O-OG1 3.05Å
324E44.2Very low68.2Low122 Ų12298.7 Ų98.757%0.5752%0.516SS*.THydrogen-bonded Turntrans-129.525.7178.1-65.2-159.517300115.2P174 R322P174-E324 WeakPolarHBondContact CA-OE2 3.19Å; P174-E324 HydrophobicContact CB-CB 4.34Å; P174-E324 VanDerWaalsContact CB-OE2 3.25Å; P174-E324 WeakPolarHBondContact CB-OE2 3.17Å; R322-E324 PolarHBondContact O-N 3.01Å
325S38.3Very low67Low108 Ų108103.1 Ų103.176%0.75554%0.54SS*.  trans-97.820.8170.4-52.20000114.8
326T33.6Very low65.4Low137 Ų137101.2 Ų101.284%0.8454%0.535SS*.  trans-117.677171.341.30000111.4
327A31.8Very low63.3Low92 Ų92105.6 Ų105.676%0.7655%0.551SS**  trans-157.579.715400000109.9
328Q30.1Very low60.7Low273 Ų273115.1 Ų115.1100%1.27660%0.601SS**  trans-165.60141.3-106.3170.831.300110.1

Retrieved 328 of 328 residues in 181.4 ms (Link to these results)

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