A0A075VRE8_CAPHI Loading...

Retinol binding protein 1

AlphaFold DB (A0A6P3IQD2), UniProt , Accession A0A075VRE8, Species CAPHI (Capra hircus, Goat), Gene CRBP1, Length 135 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
1M53.4Low91.7Very high230 Ų23066.8 Ų66.8100%1.13336%0.356SS*.  0143.60-69.2-175.1-73.100106.2
2P76Confident92.3Very high116 Ų11669.6 Ų69.675%0.75337%0.37SS*.  trans-55.3149.5171.5-15.628.4000109.5D4P2-D4 PolarHBondContact O-N 3.43Å
3V93.8Very high92.7Very high30 Ų3067.8 Ų67.818%0.18237%0.371CS..  trans-60.3133.91731750000109.6F5 Q45 D92 I111V3-F5 HydrophobicContact CG1-CD2 4.21Å; V3-F5 HydrophobicContact CG1-CE1 4.2Å; V3-F5 HydrophobicContact CG1-CE2 3.8Å; V3-F5 HydrophobicContact CG1-CZ 3.79Å; V3-Q45 PolarHBondContact O-NE2 3.04Å; V3-Q45 VanDerWaalsContact O-NE2 3.14Å; V3-D92 HydrophobicContact CG2-CB 3.51Å; V3-I111 HydrophobicContact CG1-CD1 4.1Å
4D96.7Very high93.1Very high91 Ų9166.4 Ų66.449%0.48736%0.363SS..  trans-120.9113.9177.8-174-12.3000109.1P2 T6P2-D4 PolarHBondContact O-N 3.43Å; D4-T6 VanDerWaalsContact C-N 3.29Å; D4-T6 WeakPolarHBondContact OD1-CB 3.48Å; D4-T6 PolarHBondContact OD1-N 3.14Å; D4-T6 PolarHBondContact OD1-OG1 2.9Å
5F98.1Very high93.5Very high0 Ų070.8 Ų70.80%038%0.38CS..  trans-83.1-3.8-179.6-67.1-81.3000113.5V3 G7 W9 I43 M50 W89 L94 Q109 I111 L116V3-F5 HydrophobicContact CG1-CD2 4.21Å; V3-F5 HydrophobicContact CG1-CE1 4.2Å; V3-F5 HydrophobicContact CG1-CE2 3.8Å; V3-F5 HydrophobicContact CG1-CZ 3.79Å; F5-G7 PolarHBondContact O-N 3.12Å; F5-W9 PolarHBondContact O-NE1 2.86Å; F5-I43 HydrophobicContact CB-CD1 4.19Å; F5-I43 HydrophobicContact CB-CG2 3.8Å; F5-I43 WeakPolarHBondContact O-CB 3.46Å; F5-M50 HydrophobicContact CD2-CE 4.3Å; F5-W89 AromaticContact CD2-CH2 4Å; F5-W89 HydrophobicContact CD2-CH2 4Å; F5-W89 HydrophobicContact CD2-CZ3 4.41Å; F5-W89 AromaticContact CE2-CH2 3.63Å; F5-W89 HydrophobicContact CE2-CH2 3.63Å; F5-W89 AromaticContact CE2-CZ3 3.59Å; F5-W89 HydrophobicContact CE2-CZ3 3.59Å; F5-W89 HydrophobicContact CZ-CZ3 4.48Å; F5-L94 HydrophobicContact CD2-CD1 3.67Å; F5-L94 HydrophobicContact CD2-CG 4.4Å; F5-L94 HydrophobicContact CE2-CD1 3.4Å; F5-L94 HydrophobicContact CE2-CG 3.66Å; F5-L94 HydrophobicContact CZ-CD1 4.05Å; F5-L94 HydrophobicContact CZ-CG 4.17Å; F5-Q109 HydrophobicContact CD1-CG 4.46Å; F5-Q109 HydrophobicContact CE1-CG 4.04Å; F5-I111 HydrophobicContact CD1-CD1 3.51Å; F5-I111 HydrophobicContact CD1-CG1 3.79Å; F5-I111 HydrophobicContact CE1-CD1 3.92Å; F5-I111 HydrophobicContact CE1-CG1 3.78Å; F5-I111 HydrophobicContact CG-CD1 4.18Å; F5-L116 HydrophobicContact CD1-CD1 3.57Å; F5-L116 HydrophobicContact CE1-CD1 3.84Å
6T98.4Very high93.8Very high51 Ų5171.3 Ų71.331%0.31338%0.382SS..  trans-57128-175.2-58.70000111.7D4 I43 Q45 K133D4-T6 VanDerWaalsContact C-N 3.29Å; D4-T6 WeakPolarHBondContact OD1-CB 3.48Å; D4-T6 PolarHBondContact OD1-N 3.14Å; D4-T6 PolarHBondContact OD1-OG1 2.9Å; T6-I43 WeakPolarHBondContact CA-O 3.43Å; T6-Q45 WeakPolarHBondContact OG1-CB 3.43Å; T6-Q45 PolarHBondContact OG1-N 3.07Å; T6-K133 WeakPolarHBondContact O-CE 3.42Å; T6-K133 PolarHBondContact O-NZ 3.24Å
7G98.2Very high94Very high20 Ų2068.9 Ų68.921%0.20637%0.368CS..EExtended strand (participates in β ladder)trans151-178176.700000113.8F5 I43F5-G7 PolarHBondContact O-N 3.12Å; G7-I43 PolarHBondContact N-O 2.7Å; G7-I43 PolarHBondContact O-N 3.21Å
8Y98.7Very high94.3Very high67 Ų6768.2 Ų68.226%0.26336%0.362SS..EExtended strand (participates in β ladder)trans-107.2132172.2-159.3-81000109.2K10 D40 K41 E42 L55 V134Y8-K10 HydrophobicContact CD1-CG 4.42Å; Y8-K10 HydrophobicContact CE1-CG 4.18Å; Y8-D40 HydrophobicContact CE1-CB 3.7Å; Y8-D40 PolarHBondContact OH-OD2 2.86Å; Y8-K41 CarbonylContact C-O 3.56Å; Y8-K41 WeakPolarHBondContact CA-O 3.32Å; Y8-E42 HydrophobicContact CD2-CB 3.92Å; Y8-E42 HydrophobicContact CD2-CG 4.19Å; Y8-E42 HydrophobicContact CE2-CB 4.15Å; Y8-L55 HydrophobicContact CE2-CD1 4.05Å; Y8-V134 HydrophobicContact CD1-CG2 3.53Å; Y8-V134 HydrophobicContact CE1-CG2 4.35Å; Y8-V134 HydrophobicContact CG-CG2 4.36Å; Y8-V134 PolarHBondContact O-N 3.4Å
9W98.8Very high94.5Very high3 Ų367.9 Ų67.91%0.01136%0.358CS..EExtended strand (participates in β ladder)trans-129.6117.4-169.6-52.789.9000109.7F5 D40 K41 I111 L116 F131 K132 K133F5-W9 PolarHBondContact O-NE1 2.86Å; W9-D40 CarbonylContact O-C 3.59Å; W9-D40 WeakPolarHBondContact O-CA 3.49Å; W9-K41 HydrophobicContact CB-CB 4.2Å; W9-K41 PolarHBondContact N-O 3.05Å; W9-K41 PolarHBondContact O-N 2.96Å; W9-I111 HydrophobicContact CH2-CD1 3.76Å; W9-I111 HydrophobicContact CH2-CG1 4.08Å; W9-I111 HydrophobicContact CZ2-CD1 3.93Å; W9-L116 HydrophobicContact CB-CD2 4.08Å; W9-L116 HydrophobicContact CD2-CB 3.72Å; W9-L116 HydrophobicContact CD2-CD2 3.96Å; W9-L116 HydrophobicContact CD2-CG 4.41Å; W9-L116 HydrophobicContact CE3-CB 3.4Å; W9-L116 VanDerWaalsContact CE3-CB 3.4Å; W9-L116 HydrophobicContact CG-CB 4.27Å; W9-L116 HydrophobicContact CG-CD2 3.74Å; W9-L116 HydrophobicContact CH2-CB 4.31Å; W9-L116 HydrophobicContact CZ3-CB 3.72Å; W9-F131 HydrophobicContact CB-CB 3.7Å; W9-F131 HydrophobicContact CB-CG 4.38Å; W9-K132 CarbonylContact C-O 3.56Å; W9-K132 WeakPolarHBondContact CA-O 3.45Å; W9-K133 HydrophobicContact CD2-CB 4.39Å; W9-K133 HydrophobicContact CD2-CG 4.27Å; W9-K133 HydrophobicContact CE3-CB 3.66Å; W9-K133 HydrophobicContact CE3-CG 4Å; W9-K133 HydrophobicContact CH2-CB 4.11Å; W9-K133 HydrophobicContact CH2-CD 3.77Å; W9-K133 HydrophobicContact CH2-CG 4.03Å; W9-K133 HydrophobicContact CZ2-CD 4.06Å; W9-K133 HydrophobicContact CZ2-CG 4.27Å; W9-K133 HydrophobicContact CZ3-CB 3.51Å; W9-K133 HydrophobicContact CZ3-CD 4.09Å; W9-K133 HydrophobicContact CZ3-CG 3.89Å
10K98.5Very high94.7Very high105 Ų10565.2 Ų65.246%0.45734%0.343SS..EExtended strand (participates in β ladder)trans-93.3132.8179.1-79.2-171.6177.7176.20112Y8 L12 D40 F131 K132 V134Y8-K10 HydrophobicContact CD1-CG 4.42Å; Y8-K10 HydrophobicContact CE1-CG 4.18Å; K10-L12 PolarHBondContact O-N 3.05Å; K10-D40 VanDerWaalsContact CA-OD1 3.3Å; K10-D40 WeakPolarHBondContact CA-OD1 2.88Å; K10-F131 CarbonylContact O-C 3.57Å; K10-F131 WeakPolarHBondContact O-CA 3.39Å; K10-F131 WeakPolarHBondContact O-CB 3.41Å; K10-K132 PolarHBondContact N-O 3.16Å; K10-K132 PolarHBondContact O-N 2.95Å; K10-V134 HydrophobicContact CB-CG1 4.15Å; K10-V134 HydrophobicContact CB-CG2 4.39Å; K10-V134 HydrophobicContact CD-CG1 3.95Å; K10-V134 HydrophobicContact CD-CG2 3.91Å; K10-V134 HydrophobicContact CG-CG1 4.07Å; K10-V134 HydrophobicContact CG-CG2 3.65Å
11M98.4Very high94.9Very high22 Ų2262.5 Ų62.511%0.10833%0.329CS..EExtended strand (participates in β ladder)trans-62.9128.8-179178.3174.4-76.700112.2N14 K38 P39 D40 Q129 F131M11-N14 HydrophobicContact CE-CB 4.22Å; M11-N14 HydrophobicContact SD-CB 3.74Å; M11-K38 HydrophobicContact CB-CB 4.49Å; M11-K38 HydrophobicContact SD-CB 4.42Å; M11-P39 VanDerWaalsContact CB-O 3.29Å; M11-P39 WeakPolarHBondContact CB-O 3.34Å; M11-P39 HydrophobicContact CE-CG 3.51Å; M11-P39 HydrophobicContact SD-CG 4.34Å; M11-D40 PolarHBondContact N-OD1 3.16Å; M11-Q129 HydrophobicContact CE-CG 4.15Å; M11-F131 HydrophobicContact CB-CD1 3.82Å; M11-F131 HydrophobicContact CB-CE1 3.89Å; M11-F131 HydrophobicContact CE-CE1 3.67Å; M11-F131 HydrophobicContact CE-CZ 3.76Å; M11-F131 HydrophobicContact CG-CE1 4.41Å
12L98Very high97Very high100 Ų10058.1 Ų58.152%0.52430%0.3SS..EExtended strand (participates in β ladder)trans-100.9-45.8172.3-68.4-178.1000111.7K10 V130 K132K10-L12 PolarHBondContact O-N 3.05Å; L12-V130 WeakPolarHBondContact CB-O 3.33Å; L12-V130 HydrophobicContact CD1-CG1 4.43Å; L12-V130 PolarHBondContact N-O 3.47Å; L12-K132 HydrophobicContact CD1-CB 3.75Å; L12-K132 HydrophobicContact CD1-CD 4.1Å; L12-K132 HydrophobicContact CD1-CG 4.35Å; L12-K132 HydrophobicContact CD2-CB 3.97Å; L12-K132 HydrophobicContact CG-CB 3.8Å
13A98.1Very high98.1Very high47 Ų4753.5 Ų53.539%0.38827%0.271SS..EExtended strand (participates in β ladder)trans-140.5149.5-174.900000111.4Q129 V130A13-Q129 WeakPolarHBondContact O-CA 3.47Å; A13-V130 HydrophobicContact CB-CB 4.28Å; A13-V130 PolarHBondContact N-O 3.3Å; A13-V130 VanDerWaalsContact N-O 3.15Å; A13-V130 PolarHBondContact O-N 3.26Å
14N98.3Very high98.3Very high48 Ų4852 Ų5226%0.25726%0.263SS..EExtended strand (participates in β ladder)trans-148.896.8178-170.717000108.9M11 F17 Q129M11-N14 HydrophobicContact CE-CB 4.22Å; M11-N14 HydrophobicContact SD-CB 3.74Å; N14-F17 VanDerWaalsContact ND2-CD1 3.31Å; N14-F17 WeakPolarHBondContact ND2-CD1 2.9Å; N14-F17 WeakPolarHBondContact ND2-CG 3.39Å; N14-F17 WeakPolarHBondContact OD1-CB 3.31Å; N14-Q129 HydrophobicContact CB-CG 4.33Å; N14-Q129 WeakPolarHBondContact OD1-CG 3.18Å; N14-Q129 PolarHBondContact OD1-NE2 2.77Å
15E98.4Very high98.4Very high132 Ų13252.4 Ų52.462%0.61726%0.264SS*.EExtended strand (participates in β ladder)trans-100.8133-173.4-173-179-173.600110.7F17 C127 K128E15-F17 VanDerWaalsContact C-N 3.25Å; E15-F17 PolarHBondContact O-N 2.92Å; E15-C127 VanDerWaalsContact O-CA 3.31Å; E15-C127 WeakPolarHBondContact O-CA 3.44Å; E15-C127 PolarHBondContact O-SG 3Å; E15-K128 HydrophobicContact CB-CB 4.39Å; E15-K128 PolarHBondContact N-O 3.3Å; E15-K128 PolarHBondContact O-N 3Å; E15-K128 VanDerWaalsContact O-N 3.07Å
16N98.4Very high98.3Very high78 Ų7852.7 Ų52.742%0.41727%0.266SS..SBendtrans62.523.5174.4-156.741.4000115.8E18 E19 Y20 V126N16-E18 PolarHBondContact O-N 2.67Å; N16-E19 PolarHBondContact O-N 2.86Å; N16-E19 WeakPolarHBondContact OD1-CB 3.5Å; N16-E19 WeakPolarHBondContact OD1-CG 3.5Å; N16-Y20 PolarHBondContact O-N 2.85Å; N16-V126 WeakPolarHBondContact CB-O 3.45Å; N16-V126 PolarHBondContact ND2-O 3.01Å
17F98.3Very high98.2Very high31 Ų3154.7 Ų54.714%0.13628%0.275CS..Hα-helixtrans-64.6-37-178.3-168.6-135.9000113.9N14 E15 E19 Y20 L21 A34 M120N14-F17 VanDerWaalsContact ND2-CD1 3.31Å; N14-F17 WeakPolarHBondContact ND2-CD1 2.9Å; N14-F17 WeakPolarHBondContact ND2-CG 3.39Å; N14-F17 WeakPolarHBondContact OD1-CB 3.31Å; E15-F17 VanDerWaalsContact C-N 3.25Å; E15-F17 PolarHBondContact O-N 2.92Å; F17-E19 VanDerWaalsContact C-N 3.33Å; F17-E19 PolarHBondContact O-N 2.83Å; F17-Y20 HydrophobicContact CD2-CD1 4.15Å; F17-Y20 HydrophobicContact CE2-CD1 4.16Å; F17-Y20 PolarHBondContact O-N 2.83Å; F17-L21 HydrophobicContact CD1-CD1 3.92Å; F17-L21 HydrophobicContact CD1-CG 4.45Å; F17-L21 HydrophobicContact CD2-CD1 4.46Å; F17-L21 HydrophobicContact CD2-CD2 4.5Å; F17-L21 HydrophobicContact CD2-CG 4.11Å; F17-L21 HydrophobicContact CE1-CD1 3.66Å; F17-L21 HydrophobicContact CE1-CG 4.26Å; F17-L21 HydrophobicContact CE2-CD1 4.21Å; F17-L21 HydrophobicContact CE2-CD2 3.81Å; F17-L21 HydrophobicContact CE2-CG 3.88Å; F17-L21 HydrophobicContact CG-CD1 4.33Å; F17-L21 HydrophobicContact CG-CG 4.39Å; F17-L21 HydrophobicContact CZ-CD1 3.81Å; F17-L21 HydrophobicContact CZ-CD2 3.85Å; F17-L21 HydrophobicContact CZ-CG 3.96Å; F17-L21 WeakPolarHBondContact O-CG 3.3Å; F17-L21 PolarHBondContact O-N 3.17Å; F17-A34 HydrophobicContact CE1-CB 3.96Å; F17-M120 HydrophobicContact CD2-CE 4.05Å; F17-M120 HydrophobicContact CE2-CE 4.02Å
18E98.1Very high98.1Very high56 Ų5657.6 Ų57.626%0.26229%0.288SS..Hα-helixtrans-56.7-46.8175.7173.261.1-166.300111.7N16 L21 R22 R31 N35N16-E18 PolarHBondContact O-N 2.67Å; E18-L21 PolarHBondContact O-N 2.84Å; E18-R22 VanDerWaalsContact O-CB 3.3Å; E18-R22 WeakPolarHBondContact O-CB 3.43Å; E18-R22 PolarHBondContact O-N 3.21Å; E18-R31 IonicContact OE1-CZ 3.59Å; E18-R31 IonicContact OE1-NE 2.85Å; E18-R31 PolarHBondContact OE1-NE 2.85Å; E18-R31 IonicContact OE1-NH2 3.01Å; E18-R31 PolarHBondContact OE1-NH2 2.76Å; E18-R31 WeakPolarHBondContact OE2-CB 3.38Å; E18-R31 IonicContact OE2-NE 3.59Å; E18-N35 PolarHBondContact OE2-ND2 2.75Å
19E98.6Very high97.9Very high63 Ų6357.4 Ų57.429%0.29430%0.301SS..Hα-helixtrans-68.9-38.4-178.7-64.7-57.1135.800111.8N16 F17 R22 A23 V125N16-E19 PolarHBondContact O-N 2.86Å; N16-E19 WeakPolarHBondContact OD1-CB 3.5Å; N16-E19 WeakPolarHBondContact OD1-CG 3.5Å; F17-E19 VanDerWaalsContact C-N 3.33Å; F17-E19 PolarHBondContact O-N 2.83Å; E19-R22 WeakPolarHBondContact O-CB 3.44Å; E19-R22 PolarHBondContact O-N 2.83Å; E19-R22 IonicContact OE1-NE 2.78Å; E19-R22 IonicContact OE2-CZ 3.61Å; E19-R22 IonicContact OE2-NE 3.48Å; E19-R22 PolarHBondContact OE2-NE 3.02Å; E19-R22 IonicContact OE2-NH2 2.88Å; E19-R22 PolarHBondContact OE2-NH2 2.79Å; E19-A23 WeakPolarHBondContact O-CB 3.5Å; E19-A23 PolarHBondContact O-N 2.78Å; E19-V125 HydrophobicContact CB-CG1 4Å
20Y98.8Very high97.7Very high13 Ų1358.7 Ų58.75%0.05131%0.308CS..Hα-helixtrans-60.3-48.4173.2173.3-95.3000111.6N16 F17 R22 A23 L24 M120 V122 C127N16-Y20 PolarHBondContact O-N 2.85Å; F17-Y20 HydrophobicContact CD2-CD1 4.15Å; F17-Y20 HydrophobicContact CE2-CD1 4.16Å; F17-Y20 PolarHBondContact O-N 2.83Å; Y20-R22 VanDerWaalsContact C-N 3.29Å; Y20-R22 PolarHBondContact O-N 2.92Å; Y20-A23 PolarHBondContact O-N 3.45Å; Y20-L24 HydrophobicContact CD1-CD1 4.11Å; Y20-L24 HydrophobicContact CE1-CD1 3.47Å; Y20-L24 VanDerWaalsContact CE1-CD1 3.47Å; Y20-L24 HydrophobicContact CE1-CG 4.47Å; Y20-L24 HydrophobicContact CE2-CD1 4.47Å; Y20-L24 PolarHBondContact O-N 2.89Å; Y20-M120 HydrophobicContact CD1-CE 4.36Å; Y20-M120 HydrophobicContact CD2-CB 4.1Å; Y20-M120 HydrophobicContact CE1-CB 4.39Å; Y20-M120 HydrophobicContact CE1-CE 4.29Å; Y20-M120 HydrophobicContact CE1-SD 4.21Å; Y20-M120 HydrophobicContact CE2-CB 3.62Å; Y20-V122 HydrophobicContact CD2-CG1 3.57Å; Y20-V122 HydrophobicContact CE2-CB 4.11Å; Y20-V122 HydrophobicContact CE2-CG1 3.57Å; Y20-V122 HydrophobicContact CG-CG1 4.45Å; Y20-C127 HydrophobicContact CD2-CB 4.27Å; Y20-C127 HydrophobicContact CG-CB 3.93Å
21L98.3Very high97.6Very high9 Ų955.2 Ų55.25%0.04729%0.292CS..Hα-helixtrans-64.5-34.8176.6-67.9179.6000112.1F17 E18 L24 D25 V26 R31 A34F17-L21 HydrophobicContact CD1-CD1 3.92Å; F17-L21 HydrophobicContact CD1-CG 4.45Å; F17-L21 HydrophobicContact CD2-CD1 4.46Å; F17-L21 HydrophobicContact CD2-CD2 4.5Å; F17-L21 HydrophobicContact CD2-CG 4.11Å; F17-L21 HydrophobicContact CE1-CD1 3.66Å; F17-L21 HydrophobicContact CE1-CG 4.26Å; F17-L21 HydrophobicContact CE2-CD1 4.21Å; F17-L21 HydrophobicContact CE2-CD2 3.81Å; F17-L21 HydrophobicContact CE2-CG 3.88Å; F17-L21 HydrophobicContact CG-CD1 4.33Å; F17-L21 HydrophobicContact CG-CG 4.39Å; F17-L21 HydrophobicContact CZ-CD1 3.81Å; F17-L21 HydrophobicContact CZ-CD2 3.85Å; F17-L21 HydrophobicContact CZ-CG 3.96Å; F17-L21 WeakPolarHBondContact O-CG 3.3Å; F17-L21 PolarHBondContact O-N 3.17Å; E18-L21 PolarHBondContact O-N 2.84Å; L21-L24 PolarHBondContact O-N 2.69Å; L21-D25 PolarHBondContact O-N 2.97Å; L21-V26 HydrophobicContact CB-CB 4.19Å; L21-V26 HydrophobicContact CB-CG2 4.33Å; L21-V26 HydrophobicContact CD2-CG2 4.11Å; L21-V26 WeakPolarHBondContact O-CB 3.38Å; L21-V26 WeakPolarHBondContact O-CG2 3.08Å; L21-V26 PolarHBondContact O-N 3.3Å; L21-R31 HydrophobicContact CB-CG 3.84Å; L21-R31 HydrophobicContact CD1-CB 4.36Å; L21-R31 HydrophobicContact CD1-CG 4.22Å; L21-A34 HydrophobicContact CD1-CB 3.67Å
22R98.4Very high97.5Very high138 Ų13861.1 Ų61.152%0.52132%0.317SS..Hα-helixtrans-65-42.4175.2-173.7175.873.395.9-1.4111.4E18 E19 Y20 L24 D25E18-R22 VanDerWaalsContact O-CB 3.3Å; E18-R22 WeakPolarHBondContact O-CB 3.43Å; E18-R22 PolarHBondContact O-N 3.21Å; E19-R22 WeakPolarHBondContact O-CB 3.44Å; E19-R22 PolarHBondContact O-N 2.83Å; E19-R22 IonicContact OE1-NE 2.78Å; E19-R22 IonicContact OE2-CZ 3.61Å; E19-R22 IonicContact OE2-NE 3.48Å; E19-R22 PolarHBondContact OE2-NE 3.02Å; E19-R22 IonicContact OE2-NH2 2.88Å; E19-R22 PolarHBondContact OE2-NH2 2.79Å; Y20-R22 VanDerWaalsContact C-N 3.29Å; Y20-R22 PolarHBondContact O-N 2.92Å; R22-L24 PolarHBondContact O-N 3.42Å; R22-D25 PolarHBondContact O-N 3.14Å
23A98.5Very high97.3Very high19 Ų1959.5 Ų59.516%0.15731%0.308CS..Hα-helixtrans-64.5-26.9176.700000113E19 Y20 D25 K102 V122 V125E19-A23 WeakPolarHBondContact O-CB 3.5Å; E19-A23 PolarHBondContact O-N 2.78Å; Y20-A23 PolarHBondContact O-N 3.45Å; A23-D25 VanDerWaalsContact C-N 3.27Å; A23-D25 PolarHBondContact O-N 3.21Å; A23-K102 VanDerWaalsContact O-CE 3.32Å; A23-K102 WeakPolarHBondContact O-CE 3.08Å; A23-K102 PolarHBondContact O-NZ 3.34Å; A23-V122 HydrophobicContact CB-CG1 3.77Å; A23-V125 HydrophobicContact CB-CB 4.27Å; A23-V125 HydrophobicContact CB-CG2 3.97Å
24L98.6Very high97.2Very high0 Ų058 Ų580%030%0.295CS..THydrogen-bonded Turntrans-80.10.9171.2-68.9176.9000114.6Y20 L21 R22 V26 I78 D79 R81 K102 V122Y20-L24 HydrophobicContact CD1-CD1 4.11Å; Y20-L24 HydrophobicContact CE1-CD1 3.47Å; Y20-L24 VanDerWaalsContact CE1-CD1 3.47Å; Y20-L24 HydrophobicContact CE1-CG 4.47Å; Y20-L24 HydrophobicContact CE2-CD1 4.47Å; Y20-L24 PolarHBondContact O-N 2.89Å; L21-L24 PolarHBondContact O-N 2.69Å; R22-L24 PolarHBondContact O-N 3.42Å; L24-V26 HydrophobicContact CB-CG2 3.95Å; L24-V26 PolarHBondContact O-N 2.9Å; L24-I78 HydrophobicContact CD1-CG2 4.37Å; L24-D79 HydrophobicContact CB-CB 4.21Å; L24-R81 PolarHBondContact O-NH1 2.92Å; L24-K102 HydrophobicContact CD2-CG 4.38Å; L24-V122 HydrophobicContact CD2-CB 4.24Å; L24-V122 HydrophobicContact CD2-CG1 4.15Å; L24-V122 HydrophobicContact CD2-CG2 3.78Å; L24-V122 HydrophobicContact CG-CG1 4.12Å
25D98.1Very high97Very high98 Ų9859 Ų5952%0.52430%0.301SS..THydrogen-bonded Turntrans61.422.3-173.7-45.4-53.6000114.7L21 R22 A23 N27 R81 K102L21-D25 PolarHBondContact O-N 2.97Å; R22-D25 PolarHBondContact O-N 3.14Å; A23-D25 VanDerWaalsContact C-N 3.27Å; A23-D25 PolarHBondContact O-N 3.21Å; D25-N27 PolarHBondContact O-N 3.34Å; D25-R81 IonicContact OD2-CZ 3.9Å; D25-R81 IonicContact OD2-NH2 2.91Å; D25-R81 PolarHBondContact OD2-NH2 2.84Å; D25-K102 VanDerWaalsContact CG-NZ 3.31Å; D25-K102 IonicContact OD1-NZ 3.58Å; D25-K102 PolarHBondContact OD1-NZ 3.19Å; D25-K102 WeakPolarHBondContact OD2-CE 3.45Å; D25-K102 IonicContact OD2-NZ 3.67Å; D25-K102 PolarHBondContact OD2-NZ 3.35Å
26V97.6Very high96.8Very high6 Ų659.8 Ų59.84%0.03631%0.309CS..  trans-61.1130.7175.8179.30000109.1L21 L24 L30 R31 I78 D79L21-V26 HydrophobicContact CB-CB 4.19Å; L21-V26 HydrophobicContact CB-CG2 4.33Å; L21-V26 HydrophobicContact CD2-CG2 4.11Å; L21-V26 WeakPolarHBondContact O-CB 3.38Å; L21-V26 WeakPolarHBondContact O-CG2 3.08Å; L21-V26 PolarHBondContact O-N 3.3Å; L24-V26 HydrophobicContact CB-CG2 3.95Å; L24-V26 PolarHBondContact O-N 2.9Å; V26-L30 HydrophobicContact CG1-CB 3.93Å; V26-L30 HydrophobicContact CG1-CD2 3.78Å; V26-L30 HydrophobicContact CG1-CG 3.82Å; V26-R31 HydrophobicContact CB-CG 3.82Å; V26-R31 HydrophobicContact CG1-CG 3.67Å; V26-R31 WeakPolarHBondContact O-CD 3.29Å; V26-R31 WeakPolarHBondContact O-CG 3.46Å; V26-R31 PolarHBondContact O-NH1 2.85Å; V26-I78 WeakPolarHBondContact CG2-O 3.5Å; V26-D79 HydrophobicContact CG2-CB 4.18Å
27N96.3Very high96.6Very high93 Ų9357.6 Ų57.650%0.49730%0.296SS..  trans-62.6149.9-174.374.574.4000112.6D25 A29 L30 R31D25-N27 PolarHBondContact O-N 3.34Å; N27-A29 VanDerWaalsContact C-N 3.27Å; N27-A29 PolarHBondContact O-N 3.46Å; N27-A29 VanDerWaalsContact O-N 3.16Å; N27-A29 PolarHBondContact OD1-N 3.24Å; N27-L30 PolarHBondContact O-N 2.88Å; N27-L30 VanDerWaalsContact O-N 3.1Å; N27-L30 PolarHBondContact OD1-N 2.78Å; N27-R31 WeakPolarHBondContact O-CG 3.07Å; N27-R31 PolarHBondContact O-N 3.42Å
28V95.4Very high96.5Very high81 Ų8164 Ų6449%0.49132%0.324SS..Hα-helixtrans-55.4-38.5-172.5177.20000113.3K32V28-K32 WeakPolarHBondContact O-CG 3.31Å; V28-K32 PolarHBondContact O-N 2.85Å; V28-K32 VanDerWaalsContact O-N 3.09Å
29A94.9Very high96.5Very high63 Ų6362 Ų6252%0.52132%0.316SS..Hα-helixtrans-67-45-179.200000111.2N27 K32 I33N27-A29 VanDerWaalsContact C-N 3.27Å; N27-A29 PolarHBondContact O-N 3.46Å; N27-A29 VanDerWaalsContact O-N 3.16Å; N27-A29 PolarHBondContact OD1-N 3.24Å; A29-K32 PolarHBondContact O-N 2.93Å; A29-I33 PolarHBondContact O-N 2.8Å
30L94.7Very high96.4Very high30 Ų3060.5 Ų60.516%0.15731%0.31CS..Hα-helixtrans-65.5-40.2177.5-176.754.9000111.6V26 N27 K32 I33 A34 F58V26-L30 HydrophobicContact CG1-CB 3.93Å; V26-L30 HydrophobicContact CG1-CD2 3.78Å; V26-L30 HydrophobicContact CG1-CG 3.82Å; N27-L30 PolarHBondContact O-N 2.88Å; N27-L30 VanDerWaalsContact O-N 3.1Å; N27-L30 PolarHBondContact OD1-N 2.78Å; L30-K32 PolarHBondContact O-N 2.88Å; L30-I33 PolarHBondContact O-N 2.92Å; L30-A34 WeakPolarHBondContact O-CB 3.45Å; L30-A34 PolarHBondContact O-N 3.33Å; L30-F58 HydrophobicContact CD1-CD1 4.31Å; L30-F58 HydrophobicContact CD1-CE1 3.52Å; L30-F58 HydrophobicContact CD1-CZ 4.26Å
31R96.6Very high96.4Very high33 Ų3360.4 Ų60.413%0.12531%0.31CS..Hα-helixtrans-62.2-42.8176.1-59.9-162-46.4-965.5112.7E18 L21 V26 N27 I33 A34 N35E18-R31 IonicContact OE1-CZ 3.59Å; E18-R31 IonicContact OE1-NE 2.85Å; E18-R31 PolarHBondContact OE1-NE 2.85Å; E18-R31 IonicContact OE1-NH2 3.01Å; E18-R31 PolarHBondContact OE1-NH2 2.76Å; E18-R31 WeakPolarHBondContact OE2-CB 3.38Å; E18-R31 IonicContact OE2-NE 3.59Å; L21-R31 HydrophobicContact CB-CG 3.84Å; L21-R31 HydrophobicContact CD1-CB 4.36Å; L21-R31 HydrophobicContact CD1-CG 4.22Å; V26-R31 HydrophobicContact CB-CG 3.82Å; V26-R31 HydrophobicContact CG1-CG 3.67Å; V26-R31 WeakPolarHBondContact O-CD 3.29Å; V26-R31 WeakPolarHBondContact O-CG 3.46Å; V26-R31 PolarHBondContact O-NH1 2.85Å; N27-R31 WeakPolarHBondContact O-CG 3.07Å; N27-R31 PolarHBondContact O-N 3.42Å; R31-I33 VanDerWaalsContact C-N 3.3Å; R31-I33 PolarHBondContact O-N 2.79Å; R31-A34 PolarHBondContact O-N 2.85Å; R31-N35 PolarHBondContact O-N 2.98Å; R31-N35 PolarHBondContact O-ND2 2.92Å
32K94.9Very high96.5Very high145 Ų14563.3 Ų63.363%0.6332%0.323SS*.Hα-helixtrans-58-42.1175.6-77.5-178.2177.8-175.90112.3V28 A29 L30V28-K32 WeakPolarHBondContact O-CG 3.31Å; V28-K32 PolarHBondContact O-N 2.85Å; V28-K32 VanDerWaalsContact O-N 3.09Å; A29-K32 PolarHBondContact O-N 2.93Å; L30-K32 PolarHBondContact O-N 2.88Å
33I95.2Very high96.5Very high67 Ų6756.8 Ų56.834%0.34430%0.299SS..Hα-helixtrans-66.1-49175.7-64.9168.2000109.7A29 L30 R31 N35 L36 F58A29-I33 PolarHBondContact O-N 2.8Å; L30-I33 PolarHBondContact O-N 2.92Å; R31-I33 VanDerWaalsContact C-N 3.3Å; R31-I33 PolarHBondContact O-N 2.79Å; I33-N35 VanDerWaalsContact C-N 3.32Å; I33-N35 PolarHBondContact O-N 3.29Å; I33-L36 WeakPolarHBondContact O-CB 3.32Å; I33-L36 PolarHBondContact O-N 3.36Å; I33-F58 HydrophobicContact CD1-CE2 4.35Å; I33-F58 HydrophobicContact CD1-CZ 4.35Å; I33-F58 HydrophobicContact CG2-CB 4.41Å; I33-F58 HydrophobicContact CG2-CD1 4.14Å; I33-F58 HydrophobicContact CG2-CD2 4.08Å; I33-F58 HydrophobicContact CG2-CE1 4.47Å; I33-F58 HydrophobicContact CG2-CE2 4.41Å; I33-F58 HydrophobicContact CG2-CG 3.94Å
34A94.5Very high96.5Very high14 Ų1458.1 Ų58.112%0.11631%0.305CS..Hα-helixtrans-59.3-37.8-175.400000113.4F17 L21 L30 R31 L36 L37F17-A34 HydrophobicContact CE1-CB 3.96Å; L21-A34 HydrophobicContact CD1-CB 3.67Å; L30-A34 WeakPolarHBondContact O-CB 3.45Å; L30-A34 PolarHBondContact O-N 3.33Å; R31-A34 PolarHBondContact O-N 2.85Å; A34-L36 PolarHBondContact O-N 2.94Å; A34-L37 WeakPolarHBondContact O-CB 3.42Å; A34-L37 PolarHBondContact O-N 3Å; A34-L37 VanDerWaalsContact O-N 3.13Å
35N93.8Very high96.5Very high70 Ų7059.6 Ų59.637%0.37431%0.312SS..THydrogen-bonded Turntrans-67.8-17.3176.9-76.5-74.8000114.1E18 R31 I33E18-N35 PolarHBondContact OE2-ND2 2.75Å; R31-N35 PolarHBondContact O-N 2.98Å; R31-N35 PolarHBondContact O-ND2 2.92Å; I33-N35 VanDerWaalsContact C-N 3.32Å; I33-N35 PolarHBondContact O-N 3.29Å
36L95Very high96.4Very high149 Ų14961.4 Ų61.478%0.7832%0.317SS*.THydrogen-bonded Turntrans-88.4-12.9175.2-60.5174.3000112.3I33 A34I33-L36 WeakPolarHBondContact O-CB 3.32Å; I33-L36 PolarHBondContact O-N 3.36Å; A34-L36 PolarHBondContact O-N 2.94Å
37L94.7Very high96.3Very high31 Ų3163.8 Ų63.816%0.16234%0.343CS..  trans-81.9151.8-179-56.1176.1000110.8A34 F58A34-L37 WeakPolarHBondContact O-CB 3.42Å; A34-L37 PolarHBondContact O-N 3Å; A34-L37 VanDerWaalsContact O-N 3.13Å; L37-F58 HydrophobicContact CD1-CB 3.81Å; L37-F58 HydrophobicContact CD2-CB 4.06Å
38K96.2Very high96.3Very high166 Ų16663 Ų6372%0.72234%0.339SS*.  trans-123.379.4168-63.6-175.9-178.6-173.20107.3M11M11-K38 HydrophobicContact CB-CB 4.49Å; M11-K38 HydrophobicContact SD-CB 4.42Å
39P97.1Very high96.5Very high14 Ų1461.7 Ų61.79%0.09133%0.327CS..  trans-65.5138.8-177.124.5-32.3000110.5M11 T54 L55 F131M11-P39 VanDerWaalsContact CB-O 3.29Å; M11-P39 WeakPolarHBondContact CB-O 3.34Å; M11-P39 HydrophobicContact CE-CG 3.51Å; M11-P39 HydrophobicContact SD-CG 4.34Å; P39-T54 HydrophobicContact CB-CG2 3.82Å; P39-T54 HydrophobicContact CG-CG2 4.46Å; P39-L55 CarbonylContact C-O 3.55Å; P39-L55 WeakPolarHBondContact CA-O 3.31Å; P39-L55 WeakPolarHBondContact CB-O 3.17Å; P39-F131 WeakPolarHBondContact O-CE1 3.34Å
40D98.1Very high96.6Very high32 Ų3258.7 Ų58.717%0.17130%0.302CS..EExtended strand (participates in β ladder)trans-95.1165.1172-67.5-21.3000109.6Y8 W9 K10 M11 T54 L55Y8-D40 HydrophobicContact CE1-CB 3.7Å; Y8-D40 PolarHBondContact OH-OD2 2.86Å; W9-D40 CarbonylContact O-C 3.59Å; W9-D40 WeakPolarHBondContact O-CA 3.49Å; K10-D40 VanDerWaalsContact CA-OD1 3.3Å; K10-D40 WeakPolarHBondContact CA-OD1 2.88Å; M11-D40 PolarHBondContact N-OD1 3.16Å; D40-T54 CarbonylContact O-C 3.6Å; D40-T54 WeakPolarHBondContact O-CA 3.31Å; D40-L55 PolarHBondContact N-O 3.01Å; D40-L55 PolarHBondContact O-N 2.82Å
41K98.7Very high96.8Very high11 Ų1158.4 Ų58.45%0.04830%0.301CS..EExtended strand (participates in β ladder)trans-120131.4172.1-67.5-178.7180-73.40111.1Y8 W9 I43 R53 T54 L116 F131Y8-K41 CarbonylContact C-O 3.56Å; Y8-K41 WeakPolarHBondContact CA-O 3.32Å; W9-K41 HydrophobicContact CB-CB 4.2Å; W9-K41 PolarHBondContact N-O 3.05Å; W9-K41 PolarHBondContact O-N 2.96Å; K41-I43 HydrophobicContact CB-CG1 4.41Å; K41-R53 CarbonylContact C-O 3.42Å; K41-R53 VanDerWaalsContact CA-O 3.28Å; K41-R53 WeakPolarHBondContact CA-O 3.44Å; K41-T54 PolarHBondContact NZ-OG1 2.98Å; K41-L116 HydrophobicContact CD-CD2 3.79Å; K41-F131 HydrophobicContact CD-CD2 4.42Å; K41-F131 HydrophobicContact CD-CE1 4.16Å; K41-F131 HydrophobicContact CD-CE2 4.04Å; K41-F131 HydrophobicContact CD-CZ 3.92Å; K41-F131 HydrophobicContact CG-CD1 4.37Å; K41-F131 HydrophobicContact CG-CE1 3.98Å; K41-F131 HydrophobicContact CG-CZ 4.2Å
42E98.7Very high96.9Very high69 Ų6957 Ų5732%0.32230%0.295SS..EExtended strand (participates in β ladder)trans-110.7123.5163.4-177.2-172-109.200108.1Y8 R53 L55Y8-E42 HydrophobicContact CD2-CB 3.92Å; Y8-E42 HydrophobicContact CD2-CG 4.19Å; Y8-E42 HydrophobicContact CE2-CB 4.15Å; E42-R53 HydrophobicContact CB-CB 4.29Å; E42-R53 PolarHBondContact N-O 3.33Å; E42-R53 PolarHBondContact O-N 3.05Å; E42-R53 WeakPolarHBondContact OE2-CD 3.44Å; E42-R53 IonicContact OE2-CZ 3.65Å; E42-R53 IonicContact OE2-NE 2.77Å; E42-R53 IonicContact OE2-NH1 3.62Å; E42-R53 PolarHBondContact OE2-NH1 3.01Å; E42-L55 HydrophobicContact CB-CD1 4.19Å
43I98.8Very high97.1Very high2 Ų253.2 Ų53.21%0.0128%0.277CS..EExtended strand (participates in β ladder)trans-122.6133.7-176.8-56.4178.1000109.6F5 T6 G7 K41 M50 I51 I52 L116F5-I43 HydrophobicContact CB-CD1 4.19Å; F5-I43 HydrophobicContact CB-CG2 3.8Å; F5-I43 WeakPolarHBondContact O-CB 3.46Å; T6-I43 WeakPolarHBondContact CA-O 3.43Å; G7-I43 PolarHBondContact N-O 2.7Å; G7-I43 PolarHBondContact O-N 3.21Å; K41-I43 HydrophobicContact CB-CG1 4.41Å; I43-M50 HydrophobicContact CG2-SD 3.6Å; I43-I51 WeakPolarHBondContact CA-O 3.24Å; I43-I52 HydrophobicContact CD1-CG2 4.43Å; I43-I52 HydrophobicContact CG1-CG1 4.45Å; I43-I52 HydrophobicContact CG1-CG2 4.14Å; I43-I52 HydrophobicContact CG2-CG1 4.43Å; I43-L116 HydrophobicContact CD1-CD2 3.86Å
44V98.4Very high97.2Very high46 Ų4651.3 Ų51.328%0.27927%0.269SS..EExtended strand (participates in β ladder)trans-123122.7170.4-178.10000107.9E46 I51V44-E46 HydrophobicContact CG1-CG 4.33Å; V44-I51 HydrophobicContact CB-CB 4.42Å; V44-I51 PolarHBondContact N-O 3.15Å; V44-I51 PolarHBondContact O-N 2.87Å
45Q98Very high97.4Very high31 Ų3152.6 Ų52.615%0.14527%0.273CS..EExtended strand (participates in β ladder)trans-118.3114.6178.9-179.3177.1-24.100110.1V3 T6 G47 M50V3-Q45 PolarHBondContact O-NE2 3.04Å; V3-Q45 VanDerWaalsContact O-NE2 3.14Å; T6-Q45 WeakPolarHBondContact OG1-CB 3.43Å; T6-Q45 PolarHBondContact OG1-N 3.07Å; Q45-G47 WeakPolarHBondContact CG-O 3.45Å; Q45-M50 HydrophobicContact CB-CE 3.92Å; Q45-M50 HydrophobicContact CB-SD 3.74Å; Q45-M50 HydrophobicContact CG-CE 3.54Å; Q45-M50 HydrophobicContact CG-SD 4.06Å
46E97.4Very high97.5Very high137 Ų13750.5 Ų50.564%0.6427%0.265SS*.EExtended strand (participates in β ladder)trans-114.283.6176-67.8-173.7-169.500109.4V44 D48 H49V44-E46 HydrophobicContact CG1-CG 4.33Å; E46-D48 PolarHBondContact O-N 2.91Å; E46-D48 VanDerWaalsContact O-N 3.16Å; E46-H49 HydrophobicContact CB-CB 4.45Å; E46-H49 PolarHBondContact N-O 2.82Å; E46-H49 PolarHBondContact O-N 2.85Å
47G95.4Very high97.3Very high56 Ų5650.2 Ų50.258%0.57727%0.269SS*.THydrogen-bonded Turntrans64.8-113.7-169.700000110.5Q45Q45-G47 WeakPolarHBondContact CG-O 3.45Å
48D96.8Very high97.2Very high76 Ų7653.6 Ų53.641%0.40628%0.283SS..THydrogen-bonded Turntrans-98.2-0.9176.6-76.3-31.8000113.1E46 Q66 V67 W89E46-D48 PolarHBondContact O-N 2.91Å; E46-D48 VanDerWaalsContact O-N 3.16Å; D48-Q66 WeakPolarHBondContact O-CA 3.41Å; D48-Q66 PolarHBondContact O-NE2 2.86Å; D48-V67 HydrophobicContact CB-CB 4.14Å; D48-V67 WeakPolarHBondContact O-CG2 3.34Å; D48-V67 PolarHBondContact O-N 2.59Å; D48-W89 PolarHBondContact OD1-NE1 3.07Å
49H98.3Very high96.9Very high53 Ų5351.2 Ų51.225%0.24527%0.269CS..EExtended strand (participates in β ladder)trans-85127.5169.7-179.9-132.2000109E46 D64 F65E46-H49 HydrophobicContact CB-CB 4.45Å; E46-H49 PolarHBondContact N-O 2.82Å; E46-H49 PolarHBondContact O-N 2.85Å; H49-D64 IonicContact CD2-OD1 2.67Å; H49-D64 IonicContact CE1-OD1 3.4Å; H49-D64 IonicContact NE2-OD1 2.67Å; H49-D64 PolarHBondContact NE2-OD1 2.87Å; H49-F65 PolarHBondContact CD2-O 2.81Å
50M98.4Very high96.8Very high0 Ų054.8 Ų54.80%029%0.288CS..EExtended strand (participates in β ladder)trans-129.8131.6-172.6-16973.563.100110.4F5 I43 Q45 I52 D64 F65 L94F5-M50 HydrophobicContact CD2-CE 4.3Å; I43-M50 HydrophobicContact CG2-SD 3.6Å; Q45-M50 HydrophobicContact CB-CE 3.92Å; Q45-M50 HydrophobicContact CB-SD 3.74Å; Q45-M50 HydrophobicContact CG-CE 3.54Å; Q45-M50 HydrophobicContact CG-SD 4.06Å; M50-I52 HydrophobicContact CG-CD1 4.08Å; M50-I52 HydrophobicContact CG-CG1 3.71Å; M50-D64 WeakPolarHBondContact O-CA 3.39Å; M50-F65 HydrophobicContact CB-CD1 4.5Å; M50-F65 HydrophobicContact CB-CD2 4.26Å; M50-F65 HydrophobicContact CB-CE1 4.01Å; M50-F65 HydrophobicContact CB-CE2 3.71Å; M50-F65 HydrophobicContact CB-CZ 3.59Å; M50-F65 HydrophobicContact CG-CE1 4.03Å; M50-F65 HydrophobicContact CG-CE2 4.22Å; M50-F65 HydrophobicContact CG-CZ 3.63Å; M50-F65 PolarHBondContact N-O 2.86Å; M50-F65 PolarHBondContact O-N 2.91Å; M50-L94 HydrophobicContact CE-CD1 3.88Å
51I98.6Very high96.7Very high24 Ų2455.2 Ų55.212%0.12329%0.287CS..EExtended strand (participates in β ladder)trans-118.8118.5168.5-51.7174.9000108.5I43 V44 R53 I62 M63 D64I43-I51 WeakPolarHBondContact CA-O 3.24Å; V44-I51 HydrophobicContact CB-CB 4.42Å; V44-I51 PolarHBondContact N-O 3.15Å; V44-I51 PolarHBondContact O-N 2.87Å; I51-R53 HydrophobicContact CG2-CG 4.16Å; I51-I62 HydrophobicContact CG2-CG2 4.38Å; I51-M63 CarbonylContact C-O 3.58Å; I51-M63 VanDerWaalsContact CA-O 3.31Å; I51-M63 WeakPolarHBondContact CA-O 3.44Å; I51-D64 HydrophobicContact CG1-CB 4.47Å
52I98.6Very high96.6Very high3 Ų359.4 Ų59.42%0.01531%0.309CS..EExtended strand (participates in β ladder)trans-116.7111.3177.2-51.8-178.8000108.2I43 M50 M63 F65 W107I43-I52 HydrophobicContact CD1-CG2 4.43Å; I43-I52 HydrophobicContact CG1-CG1 4.45Å; I43-I52 HydrophobicContact CG1-CG2 4.14Å; I43-I52 HydrophobicContact CG2-CG1 4.43Å; M50-I52 HydrophobicContact CG-CD1 4.08Å; M50-I52 HydrophobicContact CG-CG1 3.71Å; I52-M63 HydrophobicContact CB-CB 4.33Å; I52-M63 PolarHBondContact N-O 2.79Å; I52-M63 PolarHBondContact O-N 2.76Å; I52-F65 HydrophobicContact CD1-CE1 3.98Å; I52-F65 HydrophobicContact CD1-CZ 4.07Å; I52-F65 HydrophobicContact CG1-CE1 4.2Å; I52-W107 HydrophobicContact CD1-CH2 4.35Å
53R98.5Very high96.5Very high66 Ų6656.7 Ų56.725%0.24930%0.296CS..EExtended strand (participates in β ladder)trans-101.9112.6174.4-51.5-171.7-17980.59108.9K41 E42 I51 L55 I62K41-R53 CarbonylContact C-O 3.42Å; K41-R53 VanDerWaalsContact CA-O 3.28Å; K41-R53 WeakPolarHBondContact CA-O 3.44Å; E42-R53 HydrophobicContact CB-CB 4.29Å; E42-R53 PolarHBondContact N-O 3.33Å; E42-R53 PolarHBondContact O-N 3.05Å; E42-R53 WeakPolarHBondContact OE2-CD 3.44Å; E42-R53 IonicContact OE2-CZ 3.65Å; E42-R53 IonicContact OE2-NE 2.77Å; E42-R53 IonicContact OE2-NH1 3.62Å; E42-R53 PolarHBondContact OE2-NH1 3.01Å; I51-R53 HydrophobicContact CG2-CG 4.16Å; R53-L55 HydrophobicContact CB-CD2 3.93Å; R53-L55 HydrophobicContact CB-CG 4.16Å; R53-I62 HydrophobicContact CG-CG1 4.3Å; R53-I62 HydrophobicContact CG-CG2 4.24Å
54T98.1Very high96.5Very high28 Ų2861.1 Ų61.117%0.17232%0.32CS..EExtended strand (participates in β ladder)trans-91.9113.4169.1-57.60000108.1P39 D40 K41 N60 Y61P39-T54 HydrophobicContact CB-CG2 3.82Å; P39-T54 HydrophobicContact CG-CG2 4.46Å; D40-T54 CarbonylContact O-C 3.6Å; D40-T54 WeakPolarHBondContact O-CA 3.31Å; K41-T54 PolarHBondContact NZ-OG1 2.98Å; T54-N60 WeakPolarHBondContact O-CA 3.33Å; T54-Y61 PolarHBondContact N-O 3.08Å; T54-Y61 PolarHBondContact O-N 2.83Å
55L97.6Very high96.5Very high40 Ų4059.3 Ų59.321%0.20931%0.308CS..EExtended strand (participates in β ladder)trans-112.4128-165.8-58.9175.5000110.6Y8 P39 D40 E42 R53 N60Y8-L55 HydrophobicContact CE2-CD1 4.05Å; P39-L55 CarbonylContact C-O 3.55Å; P39-L55 WeakPolarHBondContact CA-O 3.31Å; P39-L55 WeakPolarHBondContact CB-O 3.17Å; D40-L55 PolarHBondContact N-O 3.01Å; D40-L55 PolarHBondContact O-N 2.82Å; E42-L55 HydrophobicContact CB-CD1 4.19Å; R53-L55 HydrophobicContact CB-CD2 3.93Å; R53-L55 HydrophobicContact CB-CG 4.16Å; L55-N60 WeakPolarHBondContact CA-OD1 3.46Å; L55-N60 HydrophobicContact CD2-CB 4.23Å
56S95.4Very high96.5Very high27 Ų2761 Ų6119%0.18932%0.316CS..  trans-139.5166.7172.781.10000111.2F58 R59 N60S56-F58 PolarHBondContact O-N 3.21Å; S56-F58 PolarHBondContact OG-N 3.34Å; S56-R59 PolarHBondContact OG-N 2.96Å; S56-R59 PolarHBondContact OG-O 2.73Å; S56-N60 PolarHBondContact N-OD1 2.76Å; S56-N60 PolarHBondContact O-OD1 3.04Å
57T92Very high96.6Very high143 Ų14355.1 Ų55.188%0.87729%0.29SS*.SBendtrans-68-15.1176.551.90000113.6
58F91.7Very high96.7Very high102 Ų10255 Ų5545%0.44729%0.289SS..SBendtrans-103.9-50.2-177.1-178.4-107.1000112.5L30 I33 L37 S56L30-F58 HydrophobicContact CD1-CD1 4.31Å; L30-F58 HydrophobicContact CD1-CE1 3.52Å; L30-F58 HydrophobicContact CD1-CZ 4.26Å; I33-F58 HydrophobicContact CD1-CE2 4.35Å; I33-F58 HydrophobicContact CD1-CZ 4.35Å; I33-F58 HydrophobicContact CG2-CB 4.41Å; I33-F58 HydrophobicContact CG2-CD1 4.14Å; I33-F58 HydrophobicContact CG2-CD2 4.08Å; I33-F58 HydrophobicContact CG2-CE1 4.47Å; I33-F58 HydrophobicContact CG2-CE2 4.41Å; I33-F58 HydrophobicContact CG2-CG 3.94Å; L37-F58 HydrophobicContact CD1-CB 3.81Å; L37-F58 HydrophobicContact CD2-CB 4.06Å; S56-F58 PolarHBondContact O-N 3.21Å; S56-F58 PolarHBondContact OG-N 3.34Å
59R90.5Very high96.8Very high115 Ų11557.9 Ų57.943%0.43430%0.298SS..  trans-152.2140.3-176.4-176.4173.1-73.9164-7.3110.7S56 G77S56-R59 PolarHBondContact OG-N 2.96Å; S56-R59 PolarHBondContact OG-O 2.73Å; R59-G77 WeakPolarHBondContact CD-O 3.33Å; R59-G77 VanDerWaalsContact NH1-C 3.26Å; R59-G77 PolarHBondContact NH1-O 2.81Å
60N94.8Very high96.8Very high90 Ų9060 Ų6048%0.48131%0.308SS..  trans-103.5148.6174-61.2-23.2000109.7T54 L55 S56T54-N60 WeakPolarHBondContact O-CA 3.33Å; L55-N60 WeakPolarHBondContact CA-OD1 3.46Å; L55-N60 HydrophobicContact CD2-CB 4.23Å; S56-N60 PolarHBondContact N-OD1 2.76Å; S56-N60 PolarHBondContact O-OD1 3.04Å
61Y96Very high96.8Very high41 Ų4162.1 Ų62.116%0.16132%0.317CS..EExtended strand (participates in β ladder)trans-129.3129.3173.5174.2-112.7000108.7T54 M63 E73 L75 I78T54-Y61 PolarHBondContact N-O 3.08Å; T54-Y61 PolarHBondContact O-N 2.83Å; Y61-M63 HydrophobicContact CD1-CG 4.27Å; Y61-M63 HydrophobicContact CE1-CG 3.39Å; Y61-M63 HydrophobicContact CE1-SD 3.85Å; Y61-E73 VanDerWaalsContact OH-CD 3.27Å; Y61-E73 VanDerWaalsContact OH-CG 3.3Å; Y61-E73 WeakPolarHBondContact OH-CG 3.5Å; Y61-E73 PolarHBondContact OH-OE1 2.82Å; Y61-L75 HydrophobicContact CE2-CD2 4.27Å; Y61-I78 HydrophobicContact CD1-CD1 3.96Å; Y61-I78 HydrophobicContact CD2-CD1 3.75Å; Y61-I78 HydrophobicContact CD2-CG1 4.45Å; Y61-I78 HydrophobicContact CE1-CD1 4.14Å; Y61-I78 HydrophobicContact CE2-CD1 3.97Å; Y61-I78 HydrophobicContact CG-CD1 3.75Å
62I96.5Very high96.8Very high98 Ų9866.6 Ų66.650%0.50334%0.338SS..EExtended strand (participates in β ladder)trans-124126-172.6-57.4174.6000108.2I51 R53I51-I62 HydrophobicContact CG2-CG2 4.38Å; R53-I62 HydrophobicContact CG-CG1 4.3Å; R53-I62 HydrophobicContact CG-CG2 4.24Å
63M97.6Very high96.8Very high12 Ų1266.7 Ų66.76%0.05934%0.338CS..EExtended strand (participates in β ladder)trans-106.7132.5167.4-56.3-177.968.500108.5I51 I52 Y61 F65 F71 E73 W107I51-M63 CarbonylContact C-O 3.58Å; I51-M63 VanDerWaalsContact CA-O 3.31Å; I51-M63 WeakPolarHBondContact CA-O 3.44Å; I52-M63 HydrophobicContact CB-CB 4.33Å; I52-M63 PolarHBondContact N-O 2.79Å; I52-M63 PolarHBondContact O-N 2.76Å; Y61-M63 HydrophobicContact CD1-CG 4.27Å; Y61-M63 HydrophobicContact CE1-CG 3.39Å; Y61-M63 HydrophobicContact CE1-SD 3.85Å; M63-F65 HydrophobicContact CB-CD1 3.84Å; M63-F65 HydrophobicContact CB-CE1 3.91Å; M63-F65 HydrophobicContact CE-CD1 4.19Å; M63-F65 HydrophobicContact CE-CE1 4.05Å; M63-F71 HydrophobicContact CE-CZ 4.05Å; M63-E73 WeakPolarHBondContact CE-OE1 3.43Å; M63-W107 HydrophobicContact CE-CZ2 3.81Å; M63-W107 HydrophobicContact SD-CZ2 4.05Å
64D98.3Very high96.7Very high96 Ų9667.5 Ų67.551%0.51335%0.347SS..EExtended strand (participates in β ladder)trans-135.9108.6173.8-175.2-27.6000106.9H49 M50 I51H49-D64 IonicContact CD2-OD1 2.67Å; H49-D64 IonicContact CE1-OD1 3.4Å; H49-D64 IonicContact NE2-OD1 2.67Å; H49-D64 PolarHBondContact NE2-OD1 2.87Å; M50-D64 WeakPolarHBondContact O-CA 3.39Å; I51-D64 HydrophobicContact CG1-CB 4.47Å
65F98.4Very high96.7Very high7 Ų766.3 Ų66.33%0.03134%0.34CS..EExtended strand (participates in β ladder)trans-150.9162.8-169.363-88.9000112.5H49 M50 I52 M63 V67 F71 V87H49-F65 PolarHBondContact CD2-O 2.81Å; M50-F65 HydrophobicContact CB-CD1 4.5Å; M50-F65 HydrophobicContact CB-CD2 4.26Å; M50-F65 HydrophobicContact CB-CE1 4.01Å; M50-F65 HydrophobicContact CB-CE2 3.71Å; M50-F65 HydrophobicContact CB-CZ 3.59Å; M50-F65 HydrophobicContact CG-CE1 4.03Å; M50-F65 HydrophobicContact CG-CE2 4.22Å; M50-F65 HydrophobicContact CG-CZ 3.63Å; M50-F65 PolarHBondContact N-O 2.86Å; M50-F65 PolarHBondContact O-N 2.91Å; I52-F65 HydrophobicContact CD1-CE1 3.98Å; I52-F65 HydrophobicContact CD1-CZ 4.07Å; I52-F65 HydrophobicContact CG1-CE1 4.2Å; M63-F65 HydrophobicContact CB-CD1 3.84Å; M63-F65 HydrophobicContact CB-CE1 3.91Å; M63-F65 HydrophobicContact CE-CD1 4.19Å; M63-F65 HydrophobicContact CE-CE1 4.05Å; F65-V67 HydrophobicContact CE2-CG2 4.01Å; F65-F71 HydrophobicContact CB-CD1 3.82Å; F65-F71 HydrophobicContact CB-CE1 3.46Å; F65-F71 VanDerWaalsContact CB-CE1 3.46Å; F65-F71 HydrophobicContact CB-CE2 4.35Å; F65-F71 HydrophobicContact CB-CG 4.42Å; F65-F71 HydrophobicContact CB-CZ 3.76Å; F65-F71 HydrophobicContact CD1-CZ 4.3Å; F65-F71 HydrophobicContact CD2-CE1 4.42Å; F65-F71 AromaticContact CG-CE1 3.92Å; F65-F71 HydrophobicContact CG-CE1 3.92Å; F65-F71 HydrophobicContact CG-CZ 4.11Å; F65-V87 HydrophobicContact CD2-CB 3.91Å; F65-V87 HydrophobicContact CD2-CG2 3.89Å; F65-V87 HydrophobicContact CE1-CG2 4.39Å; F65-V87 HydrophobicContact CE2-CB 3.47Å; F65-V87 VanDerWaalsContact CE2-CB 3.47Å; F65-V87 HydrophobicContact CE2-CG1 3.6Å; F65-V87 HydrophobicContact CE2-CG2 3.58Å; F65-V87 HydrophobicContact CG-CG2 4.44Å; F65-V87 HydrophobicContact CZ-CB 4.12Å; F65-V87 HydrophobicContact CZ-CG1 3.99Å; F65-V87 HydrophobicContact CZ-CG2 3.84Å
66Q98.6Very high96.5Very high67 Ų6768.8 Ų68.831%0.31336%0.357SS..EExtended strand (participates in β ladder)trans-103.2124.7169.9-171.277.145.400109.2D48 G68 K69D48-Q66 WeakPolarHBondContact O-CA 3.41Å; D48-Q66 PolarHBondContact O-NE2 2.86Å; Q66-G68 PolarHBondContact O-N 2.73Å; Q66-K69 HydrophobicContact CB-CB 4.23Å; Q66-K69 HydrophobicContact CB-CD 3.9Å; Q66-K69 HydrophobicContact CB-CG 4.14Å; Q66-K69 HydrophobicContact CG-CD 3.82Å; Q66-K69 HydrophobicContact CG-CG 4.07Å; Q66-K69 PolarHBondContact O-N 2.89Å; Q66-K69 VanDerWaalsContact O-N 3.14Å
67V98.3Very high96.2Very high13 Ų1368 Ų688%0.07935%0.353CS..THydrogen-bonded Turntrans-57137.4174.6-176.90000110D48 F65 K69 V87 W89 L94D48-V67 HydrophobicContact CB-CB 4.14Å; D48-V67 WeakPolarHBondContact O-CG2 3.34Å; D48-V67 PolarHBondContact O-N 2.59Å; F65-V67 HydrophobicContact CE2-CG2 4.01Å; V67-K69 VanDerWaalsContact C-N 3.29Å; V67-K69 PolarHBondContact O-N 2.8Å; V67-V87 WeakPolarHBondContact CG1-O 3.45Å; V67-W89 HydrophobicContact CG1-CG 4.18Å; V67-L94 HydrophobicContact CG2-CD2 4.14Å
68G98.1Very high96.3Very high55 Ų5563.3 Ų63.357%0.56732%0.322SS*.THydrogen-bonded Turntrans80.3-2-17800000115.2Q66 V87Q66-G68 PolarHBondContact O-N 2.73Å; G68-V87 PolarHBondContact N-O 2.81Å
69K98.5Very high96.5Very high135 Ų13559.3 Ų59.359%0.58731%0.305SS*.  trans-110.8129.1175.7-60-170.3-175.5168.60110.6Q66 V67Q66-K69 HydrophobicContact CB-CB 4.23Å; Q66-K69 HydrophobicContact CB-CD 3.9Å; Q66-K69 HydrophobicContact CB-CG 4.14Å; Q66-K69 HydrophobicContact CG-CD 3.82Å; Q66-K69 HydrophobicContact CG-CG 4.07Å; Q66-K69 PolarHBondContact O-N 2.89Å; Q66-K69 VanDerWaalsContact O-N 3.14Å; V67-K69 VanDerWaalsContact C-N 3.29Å; V67-K69 PolarHBondContact O-N 2.8Å
70E98.6Very high96.7Very high98 Ų9859.4 Ų59.446%0.45831%0.314SS..  trans-70.3139.9172.7-166.1175.1-112.900110M84 T85 T86 K99E70-M84 HydrophobicContact CG-CB 4.27Å; E70-M84 HydrophobicContact CG-CE 3.9Å; E70-T85 CarbonylContact C-O 3.44Å; E70-T85 VanDerWaalsContact CA-O 3.31Å; E70-T85 WeakPolarHBondContact CA-O 3.43Å; E70-T86 WeakPolarHBondContact CB-OG1 3.3Å; E70-T86 WeakPolarHBondContact CG-OG1 3.33Å; E70-K99 IonicContact OE1-NZ 3.63Å; E70-K99 PolarHBondContact OE1-NZ 2.92Å
71F98.6Very high96.9Very high44 Ų4456.8 Ų56.819%0.19330%0.298CS..EExtended strand (participates in β ladder)trans-141.1157177.863.9-82000111.2M63 F65 E73 T85 V87M63-F71 HydrophobicContact CE-CZ 4.05Å; F65-F71 HydrophobicContact CB-CD1 3.82Å; F65-F71 HydrophobicContact CB-CE1 3.46Å; F65-F71 VanDerWaalsContact CB-CE1 3.46Å; F65-F71 HydrophobicContact CB-CE2 4.35Å; F65-F71 HydrophobicContact CB-CG 4.42Å; F65-F71 HydrophobicContact CB-CZ 3.76Å; F65-F71 HydrophobicContact CD1-CZ 4.3Å; F65-F71 HydrophobicContact CD2-CE1 4.42Å; F65-F71 AromaticContact CG-CE1 3.92Å; F65-F71 HydrophobicContact CG-CE1 3.92Å; F65-F71 HydrophobicContact CG-CZ 4.11Å; F71-E73 HydrophobicContact CD2-CB 4.18Å; F71-E73 HydrophobicContact CE2-CB 3.73Å; F71-E73 HydrophobicContact CE2-CG 4.02Å; F71-E73 PolarHBondContact O-N 2.91Å; F71-T85 VanDerWaalsContact CD1-O 3.24Å; F71-T85 WeakPolarHBondContact CD1-O 3.47Å; F71-T85 HydrophobicContact CE1-CG2 3.88Å; F71-T85 HydrophobicContact CE2-CG2 4.37Å; F71-T85 HydrophobicContact CZ-CG2 3.64Å; F71-T85 PolarHBondContact N-O 3.37Å; F71-T85 PolarHBondContact O-N 2.76Å; F71-V87 HydrophobicContact CE1-CG2 4.35Å
72E98.4Very high97Very high119 Ų11960.5 Ų60.556%0.55632%0.315SS*.EExtended strand (participates in β ladder)trans-78.4114.7169.5-174.6179.7105.100108.6K82 M84E72-K82 HydrophobicContact CG-CD 4.3Å; E72-K82 WeakPolarHBondContact OE1-CD 3.39Å; E72-K82 WeakPolarHBondContact OE1-CE 3.45Å; E72-K82 IonicContact OE1-NZ 2.7Å; E72-K82 PolarHBondContact OE1-NZ 2.82Å; E72-M84 HydrophobicContact CB-SD 4.31Å
73E98.3Very high97.1Very high5 Ų556 Ų562%0.02329%0.292CS..EExtended strand (participates in β ladder)trans-96.3116.5178-172.5-178.7-145.400109.6Y61 M63 F71 L75 K82 C83 T85 Q98Y61-E73 VanDerWaalsContact OH-CD 3.27Å; Y61-E73 VanDerWaalsContact OH-CG 3.3Å; Y61-E73 WeakPolarHBondContact OH-CG 3.5Å; Y61-E73 PolarHBondContact OH-OE1 2.82Å; M63-E73 WeakPolarHBondContact CE-OE1 3.43Å; F71-E73 HydrophobicContact CD2-CB 4.18Å; F71-E73 HydrophobicContact CE2-CB 3.73Å; F71-E73 HydrophobicContact CE2-CG 4.02Å; F71-E73 PolarHBondContact O-N 2.91Å; E73-L75 HydrophobicContact CG-CD2 4.11Å; E73-L75 HydrophobicContact CG-CG 4.18Å; E73-K82 WeakPolarHBondContact O-CA 3.28Å; E73-C83 PolarHBondContact N-O 2.85Å; E73-C83 PolarHBondContact O-N 3.43Å; E73-C83 VanDerWaalsContact O-N 3.07Å; E73-T85 WeakPolarHBondContact CB-OG1 3.42Å; E73-T85 WeakPolarHBondContact OE2-CB 3.33Å; E73-T85 PolarHBondContact OE2-OG1 2.84Å; E73-Q98 VanDerWaalsContact CD-NE2 3.3Å; E73-Q98 PolarHBondContact OE1-NE2 3.35Å; E73-Q98 WeakPolarHBondContact OE2-CG 3.45Å; E73-Q98 PolarHBondContact OE2-NE2 3.39Å
74D97Very high97.1Very high83 Ų8359 Ų5944%0.44431%0.307SS..EExtended strand (participates in β ladder)trans-85.4113.3173.4-170.7-12000109.8T76D74-T76 VanDerWaalsContact C-N 3.32Å; D74-T76 WeakPolarHBondContact OD1-CB 3.3Å; D74-T76 PolarHBondContact OD1-N 2.84Å; D74-T76 PolarHBondContact OD1-OG1 3.44Å
75L96.6Very high97.1Very high2 Ų254.5 Ų54.51%0.0128%0.283CS..  trans-99.722.5-179.1-60.1150.8000111.4Y61 E73 G77 I78 D79 D80 R81 C83 R105Y61-L75 HydrophobicContact CE2-CD2 4.27Å; E73-L75 HydrophobicContact CG-CD2 4.11Å; E73-L75 HydrophobicContact CG-CG 4.18Å; L75-G77 PolarHBondContact O-N 2.82Å; L75-I78 HydrophobicContact CD2-CD1 4.04Å; L75-I78 PolarHBondContact O-N 3.09Å; L75-D79 WeakPolarHBondContact CB-OD1 3.16Å; L75-D79 PolarHBondContact O-N 3.05Å; L75-D80 PolarHBondContact O-N 3.23Å; L75-R81 WeakPolarHBondContact CA-O 3.15Å; L75-R81 VanDerWaalsContact CB-O 3.29Å; L75-R81 WeakPolarHBondContact CB-O 3.24Å; L75-R81 PolarHBondContact N-O 2.76Å; L75-C83 HydrophobicContact CD1-CB 4.12Å; L75-R105 VanDerWaalsContact CD1-CZ 3.46Å; L75-R105 VanDerWaalsContact CD1-NH2 3.29Å
76T93.7Very high97.1Very high93 Ų9355.7 Ų55.757%0.57129%0.29SS*.THydrogen-bonded Turntrans-49.9124.3170.8-66.50000110.1D74D74-T76 VanDerWaalsContact C-N 3.32Å; D74-T76 WeakPolarHBondContact OD1-CB 3.3Å; D74-T76 PolarHBondContact OD1-N 2.84Å; D74-T76 PolarHBondContact OD1-OG1 3.44Å
77G89.6Confident97.2Very high10 Ų1052.5 Ų52.510%0.10328%0.276CS..THydrogen-bonded Turntrans87.5-0.4-179.200000115.7R59 L75 D80R59-G77 WeakPolarHBondContact CD-O 3.33Å; R59-G77 VanDerWaalsContact NH1-C 3.26Å; R59-G77 PolarHBondContact NH1-O 2.81Å; L75-G77 PolarHBondContact O-N 2.82Å; G77-D80 PolarHBondContact N-OD1 3.2Å
78I93.4Very high97.2Very high45 Ų4554.2 Ų54.223%0.23129%0.288CS..THydrogen-bonded Turntrans-100.3-76.2161.9-59.3172.2000108.1L24 V26 Y61 L75L24-I78 HydrophobicContact CD1-CG2 4.37Å; V26-I78 WeakPolarHBondContact CG2-O 3.5Å; Y61-I78 HydrophobicContact CD1-CD1 3.96Å; Y61-I78 HydrophobicContact CD2-CD1 3.75Å; Y61-I78 HydrophobicContact CD2-CG1 4.45Å; Y61-I78 HydrophobicContact CE1-CD1 4.14Å; Y61-I78 HydrophobicContact CE2-CD1 3.97Å; Y61-I78 HydrophobicContact CG-CD1 3.75Å; L75-I78 HydrophobicContact CD2-CD1 4.04Å; L75-I78 PolarHBondContact O-N 3.09Å
79D95.9Very high97.2Very high18 Ų1855.5 Ų55.510%0.09628%0.276CS..THydrogen-bonded Turntrans-1278.9178.969.1-49.5000112.9L24 V26 L75 R81 R105L24-D79 HydrophobicContact CB-CB 4.21Å; V26-D79 HydrophobicContact CG2-CB 4.18Å; L75-D79 WeakPolarHBondContact CB-OD1 3.16Å; L75-D79 PolarHBondContact O-N 3.05Å; D79-R81 PolarHBondContact O-N 3.27Å; D79-R81 VanDerWaalsContact O-N 3.16Å; D79-R81 VanDerWaalsContact OD2-CD 3.32Å; D79-R81 WeakPolarHBondContact OD2-CD 3.48Å; D79-R81 WeakPolarHBondContact OD2-CG 3.3Å; D79-R81 IonicContact OD2-CZ 2.76Å; D79-R81 IonicContact OD2-NE 3.61Å; D79-R81 IonicContact OD2-NH1 3.75Å; D79-R81 PolarHBondContact OD2-NH1 2.84Å; D79-R105 IonicContact OD1-CZ 3.88Å; D79-R105 IonicContact OD1-NH1 3.36Å; D79-R105 PolarHBondContact OD1-NH1 3.46Å; D79-R105 IonicContact OD1-NH2 2.88Å; D79-R105 PolarHBondContact OD1-NH2 2.77Å; D79-R105 IonicContact OD2-CZ 3.46Å; D79-R105 IonicContact OD2-NH1 3.9Å; D79-R105 PolarHBondContact OD2-NH1 3.13Å; D79-R105 IonicContact OD2-NH2 3.24Å
80D96.3Very high97.1Very high116 Ų11653.9 Ų53.962%0.6227%0.274SS*.SBendtrans59.525.1173.6-56.9-41.6000114.5L75 G77L75-D80 PolarHBondContact O-N 3.23Å; G77-D80 PolarHBondContact N-OD1 3.2Å
81R97.8Very high97Very high35 Ų3552.2 Ų52.213%0.13228%0.283CS..  trans-98.7170.9175.1-67.2-169.2177.889.2-4.9112L24 D25 L75 D79 E101L24-R81 PolarHBondContact O-NH1 2.92Å; D25-R81 IonicContact OD2-CZ 3.9Å; D25-R81 IonicContact OD2-NH2 2.91Å; D25-R81 PolarHBondContact OD2-NH2 2.84Å; L75-R81 WeakPolarHBondContact CA-O 3.15Å; L75-R81 VanDerWaalsContact CB-O 3.29Å; L75-R81 WeakPolarHBondContact CB-O 3.24Å; L75-R81 PolarHBondContact N-O 2.76Å; D79-R81 PolarHBondContact O-N 3.27Å; D79-R81 VanDerWaalsContact O-N 3.16Å; D79-R81 VanDerWaalsContact OD2-CD 3.32Å; D79-R81 WeakPolarHBondContact OD2-CD 3.48Å; D79-R81 WeakPolarHBondContact OD2-CG 3.3Å; D79-R81 IonicContact OD2-CZ 2.76Å; D79-R81 IonicContact OD2-NE 3.61Å; D79-R81 IonicContact OD2-NH1 3.75Å; D79-R81 PolarHBondContact OD2-NH1 2.84Å; R81-E101 IonicContact CZ-OE1 3.8Å; R81-E101 IonicContact CZ-OE2 3.84Å; R81-E101 IonicContact NE-OE1 3.59Å; R81-E101 PolarHBondContact NE-OE1 2.86Å; R81-E101 IonicContact NE-OE2 3.98Å; R81-E101 PolarHBondContact NE-OE2 3.4Å; R81-E101 IonicContact NH2-OE1 3.36Å; R81-E101 PolarHBondContact NH2-OE1 2.67Å; R81-E101 IonicContact NH2-OE2 2.88Å
82K97.9Very high96.9Very high119 Ų11955.3 Ų55.352%0.51730%0.301SS..EExtended strand (participates in β ladder)trans-117.8143.2164.6-66.5-176.8169.5-158.30109.6E72 E73E72-K82 HydrophobicContact CG-CD 4.3Å; E72-K82 WeakPolarHBondContact OE1-CD 3.39Å; E72-K82 WeakPolarHBondContact OE1-CE 3.45Å; E72-K82 IonicContact OE1-NZ 2.7Å; E72-K82 PolarHBondContact OE1-NZ 2.82Å; E73-K82 WeakPolarHBondContact O-CA 3.28Å
83C98.4Very high96.9Very high4 Ų453.9 Ų53.93%0.02729%0.293CS..EExtended strand (participates in β ladder)trans-126.9150.5174.6-74.30000110.3E73 L75 T85 Q98 K99E73-C83 PolarHBondContact N-O 2.85Å; E73-C83 PolarHBondContact O-N 3.43Å; E73-C83 VanDerWaalsContact O-N 3.07Å; L75-C83 HydrophobicContact CD1-CB 4.12Å; C83-T85 WeakPolarHBondContact CB-OG1 3.12Å; C83-Q98 HydrophobicContact CB-CB 4.05Å; C83-K99 CarbonylContact C-O 3.59Å; C83-K99 WeakPolarHBondContact CA-O 3.46Å
84M98.7Very high96.9Very high76 Ų7653.6 Ų53.637%0.37429%0.292SS..EExtended strand (participates in β ladder)trans-87.7107161.7-64.3-53.5-54.200107.3E70 E72 K99E70-M84 HydrophobicContact CG-CB 4.27Å; E70-M84 HydrophobicContact CG-CE 3.9Å; E72-M84 HydrophobicContact CB-SD 4.31Å; M84-K99 HydrophobicContact CB-CB 4.46Å; M84-K99 PolarHBondContact N-O 3.45Å; M84-K99 WeakPolarHBondContact O-CB 3.29Å; M84-K99 PolarHBondContact O-N 2.86Å
85T98.8Very high97Very high0 Ų052.1 Ų52.10%028%0.282CS..EExtended strand (participates in β ladder)trans-112.4134.2-166.3-64.40000110.5E70 F71 E73 C83 C96 V97 Q98E70-T85 CarbonylContact C-O 3.44Å; E70-T85 VanDerWaalsContact CA-O 3.31Å; E70-T85 WeakPolarHBondContact CA-O 3.43Å; F71-T85 VanDerWaalsContact CD1-O 3.24Å; F71-T85 WeakPolarHBondContact CD1-O 3.47Å; F71-T85 HydrophobicContact CE1-CG2 3.88Å; F71-T85 HydrophobicContact CE2-CG2 4.37Å; F71-T85 HydrophobicContact CZ-CG2 3.64Å; F71-T85 PolarHBondContact N-O 3.37Å; F71-T85 PolarHBondContact O-N 2.76Å; E73-T85 WeakPolarHBondContact CB-OG1 3.42Å; E73-T85 WeakPolarHBondContact OE2-CB 3.33Å; E73-T85 PolarHBondContact OE2-OG1 2.84Å; C83-T85 WeakPolarHBondContact CB-OG1 3.12Å; T85-C96 WeakPolarHBondContact CG2-SG 3.48Å; T85-V97 WeakPolarHBondContact CA-O 3.31Å; T85-Q98 HydrophobicContact CG2-CG 3.95Å
86T98.8Very high97.1Very high32 Ų3252 Ų5220%0.19628%0.282CS..EExtended strand (participates in β ladder)trans-127.6127.8173.4-55.90000109E70 C96 V97E70-T86 WeakPolarHBondContact CB-OG1 3.3Å; E70-T86 WeakPolarHBondContact CG-OG1 3.33Å; T86-C96 WeakPolarHBondContact O-CA 3.39Å; T86-V97 PolarHBondContact N-O 3.42Å; T86-V97 PolarHBondContact O-N 3.28Å
87V98.8Very high97.3Very high0 Ų051.3 Ų51.30%028%0.277CS..EExtended strand (participates in β ladder)trans-107.1134.2171.7-173.70000108.4F65 V67 G68 F71 L94 E95 C96 W107F65-V87 HydrophobicContact CD2-CB 3.91Å; F65-V87 HydrophobicContact CD2-CG2 3.89Å; F65-V87 HydrophobicContact CE1-CG2 4.39Å; F65-V87 HydrophobicContact CE2-CB 3.47Å; F65-V87 VanDerWaalsContact CE2-CB 3.47Å; F65-V87 HydrophobicContact CE2-CG1 3.6Å; F65-V87 HydrophobicContact CE2-CG2 3.58Å; F65-V87 HydrophobicContact CG-CG2 4.44Å; F65-V87 HydrophobicContact CZ-CB 4.12Å; F65-V87 HydrophobicContact CZ-CG1 3.99Å; F65-V87 HydrophobicContact CZ-CG2 3.84Å; V67-V87 WeakPolarHBondContact CG1-O 3.45Å; G68-V87 PolarHBondContact N-O 2.81Å; F71-V87 HydrophobicContact CE1-CG2 4.35Å; V87-L94 HydrophobicContact CG1-CB 4.3Å; V87-L94 HydrophobicContact CG1-CD2 3.87Å; V87-E95 CarbonylContact C-O 3.49Å; V87-E95 VanDerWaalsContact CA-O 3.3Å; V87-E95 WeakPolarHBondContact CA-O 3.42Å; V87-C96 HydrophobicContact CG2-CB 4.06Å; V87-W107 HydrophobicContact CG1-CH2 3.86Å; V87-W107 HydrophobicContact CG1-CZ3 4.49Å; V87-W107 HydrophobicContact CG2-CH2 4.07Å; V87-W107 HydrophobicContact CG2-CZ2 3.94Å
88S98.3Very high97.8Very high50 Ų5051.2 Ų51.235%0.3527%0.274SS..EExtended strand (participates in β ladder)trans-137.3153.2-177.5-60.60000111.1E95S88-E95 PolarHBondContact N-O 2.79Å; S88-E95 PolarHBondContact O-N 3.42Å
89W98.1Very high98Very high82 Ų8254.9 Ų54.931%0.31129%0.288SS..EExtended strand (participates in β ladder)trans-76.6132.6168.4-67.9113.4000110.7F5 D48 V67 K93 L94F5-W89 AromaticContact CD2-CH2 4Å; F5-W89 HydrophobicContact CD2-CH2 4Å; F5-W89 HydrophobicContact CD2-CZ3 4.41Å; F5-W89 AromaticContact CE2-CH2 3.63Å; F5-W89 HydrophobicContact CE2-CH2 3.63Å; F5-W89 AromaticContact CE2-CZ3 3.59Å; F5-W89 HydrophobicContact CE2-CZ3 3.59Å; F5-W89 HydrophobicContact CZ-CZ3 4.48Å; D48-W89 PolarHBondContact OD1-NE1 3.07Å; V67-W89 HydrophobicContact CG1-CG 4.18Å; W89-K93 WeakPolarHBondContact CA-O 3.32Å; W89-L94 HydrophobicContact CD2-CD2 3.77Å; W89-L94 HydrophobicContact CE3-CD2 3.72Å; W89-L94 HydrophobicContact CE3-CG 4.05Å; W89-L94 HydrophobicContact CG-CD2 4.49Å; W89-L94 HydrophobicContact CH2-CD1 4.4Å; W89-L94 HydrophobicContact CH2-CD2 3.95Å; W89-L94 HydrophobicContact CH2-CG 4.07Å; W89-L94 HydrophobicContact CZ2-CD2 3.98Å; W89-L94 HydrophobicContact CZ3-CD2 3.84Å; W89-L94 HydrophobicContact CZ3-CG 3.81Å
90D97.1Very high98.1Very high101 Ų10156 Ų5654%0.5431%0.305SS..EExtended strand (participates in β ladder)trans-122.787.9164.5179.827.1000108.6D92 K93 E95D90-D92 PolarHBondContact O-N 2.92Å; D90-D92 VanDerWaalsContact O-N 3.12Å; D90-K93 PolarHBondContact N-O 2.94Å; D90-K93 WeakPolarHBondContact O-CB 3.45Å; D90-K93 PolarHBondContact O-N 2.71Å; D90-E95 HydrophobicContact CB-CG 3.75Å
91G96.3Very high98.2Very high62 Ų6256.8 Ų56.864%0.63931%0.305SS*.THydrogen-bonded Turntrans57.9-115.7-167.500000111.1K93G91-K93 VanDerWaalsContact C-N 3.33Å
92D96.9Very high98.2Very high110 Ų11056.5 Ų56.559%0.58830%0.304SS*.THydrogen-bonded Turntrans-91.38.2-178.1-76.4-8.2000113.2V3 D90V3-D92 HydrophobicContact CG2-CB 3.51Å; D90-D92 PolarHBondContact O-N 2.92Å; D90-D92 VanDerWaalsContact O-N 3.12Å
93K98.2Very high98.2Very high88 Ų8857.4 Ų57.438%0.38331%0.311SS..EExtended strand (participates in β ladder)trans-113.3151-178.5-51.7-173.6179175.70111.5W89 D90 G91 T108 W110W89-K93 WeakPolarHBondContact CA-O 3.32Å; D90-K93 PolarHBondContact N-O 2.94Å; D90-K93 WeakPolarHBondContact O-CB 3.45Å; D90-K93 PolarHBondContact O-N 2.71Å; G91-K93 VanDerWaalsContact C-N 3.33Å; K93-T108 HydrophobicContact CB-CG2 4.2Å; K93-T108 HydrophobicContact CD-CG2 3.99Å; K93-W110 HydrophobicContact CB-CB 4.35Å; K93-W110 HydrophobicContact CD-CB 4.44Å; K93-W110 HydrophobicContact CG-CB 3.87Å
94L98.4Very high98.2Very high0 Ų060 Ų600%034%0.337CS..EExtended strand (participates in β ladder)trans-97.7120.9163.7-74.8169.1000109.5F5 M50 V67 V87 W89 W107 T108 Q109F5-L94 HydrophobicContact CD2-CD1 3.67Å; F5-L94 HydrophobicContact CD2-CG 4.4Å; F5-L94 HydrophobicContact CE2-CD1 3.4Å; F5-L94 HydrophobicContact CE2-CG 3.66Å; F5-L94 HydrophobicContact CZ-CD1 4.05Å; F5-L94 HydrophobicContact CZ-CG 4.17Å; M50-L94 HydrophobicContact CE-CD1 3.88Å; V67-L94 HydrophobicContact CG2-CD2 4.14Å; V87-L94 HydrophobicContact CG1-CB 4.3Å; V87-L94 HydrophobicContact CG1-CD2 3.87Å; W89-L94 HydrophobicContact CD2-CD2 3.77Å; W89-L94 HydrophobicContact CE3-CD2 3.72Å; W89-L94 HydrophobicContact CE3-CG 4.05Å; W89-L94 HydrophobicContact CG-CD2 4.49Å; W89-L94 HydrophobicContact CH2-CD1 4.4Å; W89-L94 HydrophobicContact CH2-CD2 3.95Å; W89-L94 HydrophobicContact CH2-CG 4.07Å; W89-L94 HydrophobicContact CZ2-CD2 3.98Å; W89-L94 HydrophobicContact CZ3-CD2 3.84Å; W89-L94 HydrophobicContact CZ3-CG 3.81Å; L94-W107 HydrophobicContact CB-CZ3 3.96Å; L94-T108 CarbonylContact O-C 3.53Å; L94-T108 VanDerWaalsContact O-CA 3.31Å; L94-T108 WeakPolarHBondContact O-CA 3.31Å; L94-Q109 HydrophobicContact CB-CB 4.38Å; L94-Q109 PolarHBondContact N-O 2.85Å; L94-Q109 PolarHBondContact O-N 2.66Å
95E98.7Very high98.2Very high51 Ų5156.8 Ų56.824%0.23832%0.321CS..EExtended strand (participates in β ladder)trans-103.9130.8173.1-72.2-65.5159.800109.6V87 S88 D90 T108 R121V87-E95 CarbonylContact C-O 3.49Å; V87-E95 VanDerWaalsContact CA-O 3.3Å; V87-E95 WeakPolarHBondContact CA-O 3.42Å; S88-E95 PolarHBondContact N-O 2.79Å; S88-E95 PolarHBondContact O-N 3.42Å; D90-E95 HydrophobicContact CB-CG 3.75Å; E95-T108 WeakPolarHBondContact OE1-CB 3.31Å; E95-T108 WeakPolarHBondContact OE1-CG2 3.19Å; E95-T108 PolarHBondContact OE1-OG1 2.9Å; E95-T108 PolarHBondContact OE2-OG1 3.26Å; E95-R121 IonicContact OE2-NH2 2.71Å; E95-R121 PolarHBondContact OE2-NH2 3.32Å
96C98.8Very high98.2Very high1 Ų157 Ų571%0.00732%0.323CS..EExtended strand (participates in β ladder)trans-122.4132.2177.6-179.60000110.7T85 T86 V87 G106 W107T85-C96 WeakPolarHBondContact CG2-SG 3.48Å; T86-C96 WeakPolarHBondContact O-CA 3.39Å; V87-C96 HydrophobicContact CG2-CB 4.06Å; C96-G106 CarbonylContact O-C 3.58Å; C96-G106 WeakPolarHBondContact O-CA 3.29Å; C96-W107 HydrophobicContact CB-CD2 3.26Å; C96-W107 HydrophobicContact CB-CE3 3.66Å; C96-W107 HydrophobicContact CB-CG 3.75Å; C96-W107 HydrophobicContact CB-CH2 3.78Å; C96-W107 HydrophobicContact CB-CZ2 3.4Å; C96-W107 VanDerWaalsContact CB-CZ2 3.4Å; C96-W107 HydrophobicContact CB-CZ3 3.9Å; C96-W107 PolarHBondContact N-O 3.48Å; C96-W107 PolarHBondContact O-N 2.88Å; C96-W107 PolarHBondContact SG-NE1 3.2Å
97V98.8Very high98.2Very high78 Ų7856.2 Ų56.247%0.47332%0.316SS..EExtended strand (participates in β ladder)trans-117.2124.6172.1-1790000108.3T85 T86 K99T85-V97 WeakPolarHBondContact CA-O 3.31Å; T86-V97 PolarHBondContact N-O 3.42Å; T86-V97 PolarHBondContact O-N 3.28Å; V97-K99 HydrophobicContact CG1-CG 4.03Å
98Q98.8Very high98.2Very high8 Ų856.7 Ų56.74%0.03732%0.319CS..EExtended strand (participates in β ladder)trans-110.792.3-179.9-60.9177.2-66.700108.4E73 C83 T85 R105E73-Q98 VanDerWaalsContact CD-NE2 3.3Å; E73-Q98 PolarHBondContact OE1-NE2 3.35Å; E73-Q98 WeakPolarHBondContact OE2-CG 3.45Å; E73-Q98 PolarHBondContact OE2-NE2 3.39Å; C83-Q98 HydrophobicContact CB-CB 4.05Å; T85-Q98 HydrophobicContact CG2-CG 3.95Å; Q98-R105 HydrophobicContact CB-CB 4.24Å; Q98-R105 HydrophobicContact CB-CG 3.92Å; Q98-R105 PolarHBondContact N-O 3.05Å
99K98.6Very high98.2Very high121 Ų12154.4 Ų54.453%0.52630%0.303SS..EExtended strand (participates in β ladder)trans-78.5125.5-179-60.9175.4-169.6154.30109.8E70 C83 M84 V97E70-K99 IonicContact OE1-NZ 3.63Å; E70-K99 PolarHBondContact OE1-NZ 2.92Å; C83-K99 CarbonylContact C-O 3.59Å; C83-K99 WeakPolarHBondContact CA-O 3.46Å; M84-K99 HydrophobicContact CB-CB 4.46Å; M84-K99 PolarHBondContact N-O 3.45Å; M84-K99 WeakPolarHBondContact O-CB 3.29Å; M84-K99 PolarHBondContact O-N 2.86Å; V97-K99 HydrophobicContact CG1-CG 4.03Å
100G97.8Very high98.3Very high43 Ų4352.6 Ų52.644%0.44330%0.296SS..SBendtrans-175.7-148.5-179.700000111.6K102G100-K102 VanDerWaalsContact C-N 3.32Å; G100-K102 PolarHBondContact O-N 3.48Å
101E97.8Very high98.3Very high132 Ų13250 Ų5062%0.61728%0.282SS*.SBendtrans-65.4-31.6-178.1-173.3-172.914000113.8R81R81-E101 IonicContact CZ-OE1 3.8Å; R81-E101 IonicContact CZ-OE2 3.84Å; R81-E101 IonicContact NE-OE1 3.59Å; R81-E101 PolarHBondContact NE-OE1 2.86Å; R81-E101 IonicContact NE-OE2 3.98Å; R81-E101 PolarHBondContact NE-OE2 3.4Å; R81-E101 IonicContact NH2-OE1 3.36Å; R81-E101 PolarHBondContact NH2-OE1 2.67Å; R81-E101 IonicContact NH2-OE2 2.88Å
102K98.1Very high98.4Very high28 Ų2852.4 Ų52.412%0.12228%0.276CS..SBendtrans-96.3128.1-175.9-65.4-71.7177.2170.40110.8A23 L24 D25 G100 R105 V122 E123A23-K102 VanDerWaalsContact O-CE 3.32Å; A23-K102 WeakPolarHBondContact O-CE 3.08Å; A23-K102 PolarHBondContact O-NZ 3.34Å; L24-K102 HydrophobicContact CD2-CG 4.38Å; D25-K102 VanDerWaalsContact CG-NZ 3.31Å; D25-K102 IonicContact OD1-NZ 3.58Å; D25-K102 PolarHBondContact OD1-NZ 3.19Å; D25-K102 WeakPolarHBondContact OD2-CE 3.45Å; D25-K102 IonicContact OD2-NZ 3.67Å; D25-K102 PolarHBondContact OD2-NZ 3.35Å; G100-K102 VanDerWaalsContact C-N 3.32Å; G100-K102 PolarHBondContact O-N 3.48Å; K102-R105 HydrophobicContact CB-CB 4.33Å; K102-V122 HydrophobicContact CB-CG2 3.59Å; K102-V122 HydrophobicContact CD-CG2 4.42Å; K102-V122 HydrophobicContact CG-CG2 4.13Å; K102-E123 WeakPolarHBondContact CA-OE1 3.45Å; K102-E123 HydrophobicContact CD-CG 4.09Å
103E98.3Very high98.4Very high139 Ų13950.8 Ų50.865%0.6529%0.285SS*.THydrogen-bonded Turntrans-73.3147.2179.8-69.7-65153.200111.2R105 E123E103-R105 PolarHBondContact O-N 3.4Å; E103-R105 VanDerWaalsContact O-N 3.08Å; E103-E123 PolarHBondContact N-OE1 3.01Å; E103-E123 PolarHBondContact O-N 2.8Å
104G98.1Very high98.4Very high57 Ų5750.4 Ų50.459%0.58829%0.287SS*.THydrogen-bonded Turntrans59.222.6177.300000114.8R121G104-R121 CarbonylContact O-C 3.55Å
105R98.8Very high98.4Very high10 Ų1053.2 Ų53.24%0.03830%0.301CS..  trans-76.2129.7179.6-168.4-171.1178.4148.96.3111.3L75 D79 Q98 K102 E103 R121 V122L75-R105 VanDerWaalsContact CD1-CZ 3.46Å; L75-R105 VanDerWaalsContact CD1-NH2 3.29Å; D79-R105 IonicContact OD1-CZ 3.88Å; D79-R105 IonicContact OD1-NH1 3.36Å; D79-R105 PolarHBondContact OD1-NH1 3.46Å; D79-R105 IonicContact OD1-NH2 2.88Å; D79-R105 PolarHBondContact OD1-NH2 2.77Å; D79-R105 IonicContact OD2-CZ 3.46Å; D79-R105 IonicContact OD2-NH1 3.9Å; D79-R105 PolarHBondContact OD2-NH1 3.13Å; D79-R105 IonicContact OD2-NH2 3.24Å; Q98-R105 HydrophobicContact CB-CB 4.24Å; Q98-R105 HydrophobicContact CB-CG 3.92Å; Q98-R105 PolarHBondContact N-O 3.05Å; K102-R105 HydrophobicContact CB-CB 4.33Å; E103-R105 PolarHBondContact O-N 3.4Å; E103-R105 VanDerWaalsContact O-N 3.08Å; R105-R121 VanDerWaalsContact CA-O 3.3Å; R105-R121 WeakPolarHBondContact CA-O 3.33Å; R105-V122 HydrophobicContact CB-CB 4.42Å; R105-V122 HydrophobicContact CB-CG2 4.06Å; R105-V122 HydrophobicContact CG-CB 4.3Å; R105-V122 HydrophobicContact CG-CG2 4.13Å
106G98.8Very high98.4Very high3 Ų350.8 Ų50.83%0.03129%0.289CS..EExtended strand (participates in β ladder)trans168.5-170.3178.600000112.6C96 R121C96-G106 CarbonylContact O-C 3.58Å; C96-G106 WeakPolarHBondContact O-CA 3.29Å; G106-R121 PolarHBondContact N-O 3.16Å; G106-R121 PolarHBondContact O-N 2.9Å
107W98.9Very high98.4Very high17 Ų1752 Ų526%0.06430%0.295CS..EExtended strand (participates in β ladder)trans-155.1155.9177.950.7-99.5000112.7I52 M63 V87 L94 C96 Q109 L118 E119 M120 R121I52-W107 HydrophobicContact CD1-CH2 4.35Å; M63-W107 HydrophobicContact CE-CZ2 3.81Å; M63-W107 HydrophobicContact SD-CZ2 4.05Å; V87-W107 HydrophobicContact CG1-CH2 3.86Å; V87-W107 HydrophobicContact CG1-CZ3 4.49Å; V87-W107 HydrophobicContact CG2-CH2 4.07Å; V87-W107 HydrophobicContact CG2-CZ2 3.94Å; L94-W107 HydrophobicContact CB-CZ3 3.96Å; C96-W107 HydrophobicContact CB-CD2 3.26Å; C96-W107 HydrophobicContact CB-CE3 3.66Å; C96-W107 HydrophobicContact CB-CG 3.75Å; C96-W107 HydrophobicContact CB-CH2 3.78Å; C96-W107 HydrophobicContact CB-CZ2 3.4Å; C96-W107 VanDerWaalsContact CB-CZ2 3.4Å; C96-W107 HydrophobicContact CB-CZ3 3.9Å; C96-W107 PolarHBondContact N-O 3.48Å; C96-W107 PolarHBondContact O-N 2.88Å; C96-W107 PolarHBondContact SG-NE1 3.2Å; W107-Q109 HydrophobicContact CE3-CB 3.98Å; W107-Q109 HydrophobicContact CZ3-CB 3.82Å; W107-L118 HydrophobicContact CB-CD1 3.85Å; W107-L118 HydrophobicContact CD2-CD1 4.23Å; W107-L118 HydrophobicContact CE3-CD1 4.09Å; W107-L118 HydrophobicContact CG-CD1 4.19Å; W107-E119 CarbonylContact C-O 3.59Å; W107-E119 WeakPolarHBondContact CA-O 3.48Å; W107-E119 VanDerWaalsContact CB-O 3.24Å; W107-E119 WeakPolarHBondContact CB-O 3.32Å; W107-M120 HydrophobicContact CB-CG 4.22Å; W107-R121 PolarHBondContact O-NH2 2.72Å
108T98.9Very high98.4Very high9 Ų948.7 Ų48.76%0.05527%0.274CS..EExtended strand (participates in β ladder)trans-117.9132.1169.2-52.60000109.2K93 L94 E95 W110 L118 E119 R121K93-T108 HydrophobicContact CB-CG2 4.2Å; K93-T108 HydrophobicContact CD-CG2 3.99Å; L94-T108 CarbonylContact O-C 3.53Å; L94-T108 VanDerWaalsContact O-CA 3.31Å; L94-T108 WeakPolarHBondContact O-CA 3.31Å; E95-T108 WeakPolarHBondContact OE1-CB 3.31Å; E95-T108 WeakPolarHBondContact OE1-CG2 3.19Å; E95-T108 PolarHBondContact OE1-OG1 2.9Å; E95-T108 PolarHBondContact OE2-OG1 3.26Å; T108-W110 HydrophobicContact CG2-CE3 3.77Å; T108-W110 HydrophobicContact CG2-CZ3 4.05Å; T108-W110 WeakPolarHBondContact O-CZ3 3.46Å; T108-L118 WeakPolarHBondContact O-CA 3.35Å; T108-E119 PolarHBondContact N-O 2.88Å; T108-E119 PolarHBondContact O-N 3.21Å; T108-R121 VanDerWaalsContact OG1-CZ 3.28Å; T108-R121 PolarHBondContact OG1-NH1 2.58Å; T108-R121 PolarHBondContact OG1-NH2 3.01Å
109Q98.8Very high98.4Very high2 Ų250.2 Ų50.21%0.00928%0.281CS..EExtended strand (participates in β ladder)trans-124134.7176.9-169177-8800111F5 L94 W107 L116 H117 L118F5-Q109 HydrophobicContact CD1-CG 4.46Å; F5-Q109 HydrophobicContact CE1-CG 4.04Å; L94-Q109 HydrophobicContact CB-CB 4.38Å; L94-Q109 PolarHBondContact N-O 2.85Å; L94-Q109 PolarHBondContact O-N 2.66Å; W107-Q109 HydrophobicContact CE3-CB 3.98Å; W107-Q109 HydrophobicContact CZ3-CB 3.82Å; Q109-L116 HydrophobicContact CG-CD1 3.58Å; Q109-L116 HydrophobicContact CG-CG 4.33Å; Q109-H117 VanDerWaalsContact CA-O 3.31Å; Q109-H117 WeakPolarHBondContact CA-O 3.34Å; Q109-H117 WeakPolarHBondContact CG-O 3.33Å; Q109-L118 HydrophobicContact CB-CD1 4.17Å
110W98.8Very high98.4Very high44 Ų4445.5 Ų45.517%0.16726%0.261CS..EExtended strand (participates in β ladder)trans-153.2169-179.570.398.7000111.8K93 T108 E112 H117 E119K93-W110 HydrophobicContact CB-CB 4.35Å; K93-W110 HydrophobicContact CD-CB 4.44Å; K93-W110 HydrophobicContact CG-CB 3.87Å; T108-W110 HydrophobicContact CG2-CE3 3.77Å; T108-W110 HydrophobicContact CG2-CZ3 4.05Å; T108-W110 WeakPolarHBondContact O-CZ3 3.46Å; W110-E112 PolarHBondContact NE1-OE1 2.96Å; W110-H117 HydrophobicContact CD2-CB 3.54Å; W110-H117 AromaticContact CE2-CG 3.74Å; W110-H117 HydrophobicContact CE3-CB 3.95Å; W110-H117 HydrophobicContact CG-CB 4.07Å; W110-H117 HydrophobicContact CH2-CB 3.93Å; W110-H117 HydrophobicContact CZ2-CB 3.47Å; W110-H117 VanDerWaalsContact CZ2-CB 3.47Å; W110-H117 AromaticContact CZ2-CG 3.94Å; W110-H117 HydrophobicContact CZ3-CB 4.14Å; W110-H117 PolarHBondContact N-O 3.4Å; W110-H117 AromaticContact NE1-CD2 3.91Å; W110-H117 AromaticContact NE1-CG 3.65Å; W110-H117 PolarHBondContact O-N 3.3Å; W110-E119 HydrophobicContact CH2-CB 4.14Å; W110-E119 HydrophobicContact CZ3-CB 3.92Å
111I98.6Very high98.5Very high47 Ų4746.1 Ų46.124%0.24125%0.251CS..EExtended strand (participates in β ladder)trans-117.2136.5179-73.3168.9000110.3V3 F5 W9 G113 E115 L116V3-I111 HydrophobicContact CG1-CD1 4.1Å; F5-I111 HydrophobicContact CD1-CD1 3.51Å; F5-I111 HydrophobicContact CD1-CG1 3.79Å; F5-I111 HydrophobicContact CE1-CD1 3.92Å; F5-I111 HydrophobicContact CE1-CG1 3.78Å; F5-I111 HydrophobicContact CG-CD1 4.18Å; W9-I111 HydrophobicContact CH2-CD1 3.76Å; W9-I111 HydrophobicContact CH2-CG1 4.08Å; W9-I111 HydrophobicContact CZ2-CD1 3.93Å; I111-G113 WeakPolarHBondContact CG2-O 3.17Å; I111-E115 VanDerWaalsContact CA-O 3.32Å; I111-E115 WeakPolarHBondContact CA-O 3.3Å; I111-L116 HydrophobicContact CG1-CD1 4.02Å
112E98.1Very high98.5Very high113 Ų11339.9 Ų39.953%0.52822%0.221SC..EExtended strand (participates in β ladder)trans-126.9105167.8-63.1-177.5-158.100108.6W110 D114 E115W110-E112 PolarHBondContact NE1-OE1 2.96Å; E112-D114 PolarHBondContact O-N 2.63Å; E112-D114 VanDerWaalsContact O-N 3.17Å; E112-E115 PolarHBondContact N-O 2.93Å; E112-E115 WeakPolarHBondContact O-CB 3.33Å; E112-E115 PolarHBondContact O-N 3.02Å
113G96.9Very high98.5Very high75 Ų7542.9 Ų42.977%0.77324%0.236SC*.THydrogen-bonded Turntrans63.8-116.1-17600000112.3I111I111-G113 WeakPolarHBondContact CG2-O 3.17Å
114D97.6Very high98.5Very high80 Ų8039.9 Ų39.943%0.42824%0.242SC..THydrogen-bonded Turntrans-102.715.4176.663.6-14.6000112.8E112 K132 K133E112-D114 PolarHBondContact O-N 2.63Å; E112-D114 VanDerWaalsContact O-N 3.17Å; D114-K132 VanDerWaalsContact CG-CE 3.42Å; D114-K132 IonicContact OD1-NZ 2.76Å; D114-K132 PolarHBondContact OD1-NZ 3.16Å; D114-K132 WeakPolarHBondContact OD2-CE 3.47Å; D114-K132 IonicContact OD2-NZ 3.37Å; D114-K132 PolarHBondContact OD2-NZ 3.18Å; D114-K133 PolarHBondContact O-N 3.09Å
115E98.6Very high98.6Very high60 Ų6038.9 Ų38.928%0.2822%0.224SC..EExtended strand (participates in β ladder)trans-109.8130.9178.8-60.5-173174.900111.4I111 E112 H117 V130 F131 K132I111-E115 VanDerWaalsContact CA-O 3.32Å; I111-E115 WeakPolarHBondContact CA-O 3.3Å; E112-E115 PolarHBondContact N-O 2.93Å; E112-E115 WeakPolarHBondContact O-CB 3.33Å; E112-E115 PolarHBondContact O-N 3.02Å; E115-H117 IonicContact OE2-NE2 3.13Å; E115-V130 HydrophobicContact CB-CG1 4.11Å; E115-V130 HydrophobicContact CG-CG1 4.41Å; E115-F131 CarbonylContact C-O 3.58Å; E115-F131 VanDerWaalsContact CA-O 3.29Å; E115-F131 WeakPolarHBondContact CA-O 3.5Å; E115-K132 HydrophobicContact CG-CD 4.09Å; E115-K132 IonicContact OE1-NZ 2.66Å; E115-K132 PolarHBondContact OE1-NZ 2.7Å
116L98.8Very high98.6Very high0 Ų040.8 Ų40.80%024%0.237CC..EExtended strand (participates in β ladder)trans-95.4122.9168.5175.172.4000108F5 W9 K41 I43 Q109 I111 V130 F131F5-L116 HydrophobicContact CD1-CD1 3.57Å; F5-L116 HydrophobicContact CE1-CD1 3.84Å; W9-L116 HydrophobicContact CB-CD2 4.08Å; W9-L116 HydrophobicContact CD2-CB 3.72Å; W9-L116 HydrophobicContact CD2-CD2 3.96Å; W9-L116 HydrophobicContact CD2-CG 4.41Å; W9-L116 HydrophobicContact CE3-CB 3.4Å; W9-L116 VanDerWaalsContact CE3-CB 3.4Å; W9-L116 HydrophobicContact CG-CB 4.27Å; W9-L116 HydrophobicContact CG-CD2 3.74Å; W9-L116 HydrophobicContact CH2-CB 4.31Å; W9-L116 HydrophobicContact CZ3-CB 3.72Å; K41-L116 HydrophobicContact CD-CD2 3.79Å; I43-L116 HydrophobicContact CD1-CD2 3.86Å; Q109-L116 HydrophobicContact CG-CD1 3.58Å; Q109-L116 HydrophobicContact CG-CG 4.33Å; I111-L116 HydrophobicContact CG1-CD1 4.02Å; L116-V130 CarbonylContact O-C 3.57Å; L116-V130 WeakPolarHBondContact O-CA 3.39Å; L116-F131 HydrophobicContact CB-CB 4.21Å; L116-F131 HydrophobicContact CD2-CD2 4.21Å; L116-F131 HydrophobicContact CG-CD2 4.36Å; L116-F131 PolarHBondContact N-O 3.1Å; L116-F131 PolarHBondContact O-N 3.23Å
117H98.9Very high98.6Very high26 Ų2640.6 Ų40.612%0.1224%0.236CC..EExtended strand (participates in β ladder)trans-104.7138.5177.2-66.8-101.4000109.9Q109 W110 E115Q109-H117 VanDerWaalsContact CA-O 3.31Å; Q109-H117 WeakPolarHBondContact CA-O 3.34Å; Q109-H117 WeakPolarHBondContact CG-O 3.33Å; W110-H117 HydrophobicContact CD2-CB 3.54Å; W110-H117 AromaticContact CE2-CG 3.74Å; W110-H117 HydrophobicContact CE3-CB 3.95Å; W110-H117 HydrophobicContact CG-CB 4.07Å; W110-H117 HydrophobicContact CH2-CB 3.93Å; W110-H117 HydrophobicContact CZ2-CB 3.47Å; W110-H117 VanDerWaalsContact CZ2-CB 3.47Å; W110-H117 AromaticContact CZ2-CG 3.94Å; W110-H117 HydrophobicContact CZ3-CB 4.14Å; W110-H117 PolarHBondContact N-O 3.4Å; W110-H117 AromaticContact NE1-CD2 3.91Å; W110-H117 AromaticContact NE1-CG 3.65Å; W110-H117 PolarHBondContact O-N 3.3Å; E115-H117 IonicContact OE2-NE2 3.13Å
118L98.9Very high98.6Very high8 Ų844.5 Ų44.54%0.04225%0.253CS..EExtended strand (participates in β ladder)trans-135.4121.6174.7174.764.7000109.3W107 T108 Q109 M120 Q129 F131W107-L118 HydrophobicContact CB-CD1 3.85Å; W107-L118 HydrophobicContact CD2-CD1 4.23Å; W107-L118 HydrophobicContact CE3-CD1 4.09Å; W107-L118 HydrophobicContact CG-CD1 4.19Å; T108-L118 WeakPolarHBondContact O-CA 3.35Å; Q109-L118 HydrophobicContact CB-CD1 4.17Å; L118-M120 HydrophobicContact CD1-CG 4.26Å; L118-M120 HydrophobicContact CD2-CG 3.99Å; L118-M120 HydrophobicContact CD2-SD 4.07Å; L118-M120 HydrophobicContact CG-CG 3.89Å; L118-Q129 HydrophobicContact CB-CB 4.29Å; L118-Q129 PolarHBondContact N-O 3.36Å; L118-Q129 PolarHBondContact O-N 2.87Å; L118-F131 HydrophobicContact CB-CE2 4.24Å
119E98.9Very high98.6Very high40 Ų4044.4 Ų44.419%0.18725%0.252CS..EExtended strand (participates in β ladder)trans-107.3117.3169.2-172.4-17795.200108.9W107 T108 W110 R121 V126 C127 K128W107-E119 CarbonylContact C-O 3.59Å; W107-E119 WeakPolarHBondContact CA-O 3.48Å; W107-E119 VanDerWaalsContact CB-O 3.24Å; W107-E119 WeakPolarHBondContact CB-O 3.32Å; T108-E119 PolarHBondContact N-O 2.88Å; T108-E119 PolarHBondContact O-N 3.21Å; W110-E119 HydrophobicContact CH2-CB 4.14Å; W110-E119 HydrophobicContact CZ3-CB 3.92Å; E119-R121 HydrophobicContact CG-CG 4.38Å; E119-R121 IonicContact OE1-CZ 2.79Å; E119-R121 IonicContact OE1-NH1 3.21Å; E119-R121 PolarHBondContact OE1-NH1 2.78Å; E119-V126 HydrophobicContact CG-CG1 3.4Å; E119-V126 VanDerWaalsContact CG-CG1 3.4Å; E119-C127 CarbonylContact C-O 3.42Å; E119-C127 WeakPolarHBondContact CA-O 3.46Å; E119-K128 HydrophobicContact CG-CG 4.28Å; E119-K128 WeakPolarHBondContact OE2-CE 3.12Å; E119-K128 IonicContact OE2-NZ 2.84Å; E119-K128 PolarHBondContact OE2-NZ 3.18Å
120M98.8Very high98.6Very high22 Ų2245.8 Ų45.811%0.10826%0.26CS..EExtended strand (participates in β ladder)trans-103.7138176.3-58.3179.6-67.300109.8F17 Y20 W107 L118 V126 C127 Q129F17-M120 HydrophobicContact CD2-CE 4.05Å; F17-M120 HydrophobicContact CE2-CE 4.02Å; Y20-M120 HydrophobicContact CD1-CE 4.36Å; Y20-M120 HydrophobicContact CD2-CB 4.1Å; Y20-M120 HydrophobicContact CE1-CB 4.39Å; Y20-M120 HydrophobicContact CE1-CE 4.29Å; Y20-M120 HydrophobicContact CE1-SD 4.21Å; Y20-M120 HydrophobicContact CE2-CB 3.62Å; W107-M120 HydrophobicContact CB-CG 4.22Å; L118-M120 HydrophobicContact CD1-CG 4.26Å; L118-M120 HydrophobicContact CD2-CG 3.99Å; L118-M120 HydrophobicContact CD2-SD 4.07Å; L118-M120 HydrophobicContact CG-CG 3.89Å; M120-V126 CarbonylContact O-C 3.5Å; M120-V126 WeakPolarHBondContact O-CA 3.32Å; M120-C127 HydrophobicContact CB-CB 4.44Å; M120-C127 HydrophobicContact CE-CB 4Å; M120-C127 WeakPolarHBondContact CE-SG 3.49Å; M120-C127 PolarHBondContact N-O 3Å; M120-C127 PolarHBondContact O-N 2.77Å; M120-Q129 HydrophobicContact CE-CG 4.25Å
121R98.9Very high98.6Very high57 Ų5743.7 Ų43.722%0.21525%0.252CS..EExtended strand (participates in β ladder)trans-131.8142.2-172.7-62.4177.7-68.9-871.1111.1E95 G104 R105 G106 W107 T108 E119 V125 V126E95-R121 IonicContact OE2-NH2 2.71Å; E95-R121 PolarHBondContact OE2-NH2 3.32Å; G104-R121 CarbonylContact O-C 3.55Å; R105-R121 VanDerWaalsContact CA-O 3.3Å; R105-R121 WeakPolarHBondContact CA-O 3.33Å; G106-R121 PolarHBondContact N-O 3.16Å; G106-R121 PolarHBondContact O-N 2.9Å; W107-R121 PolarHBondContact O-NH2 2.72Å; T108-R121 VanDerWaalsContact OG1-CZ 3.28Å; T108-R121 PolarHBondContact OG1-NH1 2.58Å; T108-R121 PolarHBondContact OG1-NH2 3.01Å; E119-R121 HydrophobicContact CG-CG 4.38Å; E119-R121 IonicContact OE1-CZ 2.79Å; E119-R121 IonicContact OE1-NH1 3.21Å; E119-R121 PolarHBondContact OE1-NH1 2.78Å; R121-V125 VanDerWaalsContact CA-O 3.31Å; R121-V125 WeakPolarHBondContact CA-O 3.45Å; R121-V126 HydrophobicContact CG-CG2 4.31Å
122V98.9Very high98.6Very high0 Ų044.2 Ų44.20%025%0.253CS..EExtended strand (participates in β ladder)trans-164.8134.4169.8630000109.7Y20 A23 L24 K102 R105 G124 V125Y20-V122 HydrophobicContact CD2-CG1 3.57Å; Y20-V122 HydrophobicContact CE2-CB 4.11Å; Y20-V122 HydrophobicContact CE2-CG1 3.57Å; Y20-V122 HydrophobicContact CG-CG1 4.45Å; A23-V122 HydrophobicContact CB-CG1 3.77Å; L24-V122 HydrophobicContact CD2-CB 4.24Å; L24-V122 HydrophobicContact CD2-CG1 4.15Å; L24-V122 HydrophobicContact CD2-CG2 3.78Å; L24-V122 HydrophobicContact CG-CG1 4.12Å; K102-V122 HydrophobicContact CB-CG2 3.59Å; K102-V122 HydrophobicContact CD-CG2 4.42Å; K102-V122 HydrophobicContact CG-CG2 4.13Å; R105-V122 HydrophobicContact CB-CB 4.42Å; R105-V122 HydrophobicContact CB-CG2 4.06Å; R105-V122 HydrophobicContact CG-CB 4.3Å; R105-V122 HydrophobicContact CG-CG2 4.13Å; V122-G124 PolarHBondContact O-N 3.28Å; V122-G124 VanDerWaalsContact O-N 3.09Å; V122-V125 PolarHBondContact N-O 3.32Å; V122-V125 WeakPolarHBondContact O-CA 3.07Å; V122-V125 VanDerWaalsContact O-CB 3.32Å; V122-V125 WeakPolarHBondContact O-CB 3.33Å; V122-V125 PolarHBondContact O-N 2.91Å
123E98.4Very high98.6Very high91 Ų9142.7 Ų42.743%0.42525%0.245SC..THydrogen-bonded Turntrans51.935.7177.2-59.5-69.117100113.4K102 E103 V125K102-E123 WeakPolarHBondContact CA-OE1 3.45Å; K102-E123 HydrophobicContact CD-CG 4.09Å; E103-E123 PolarHBondContact N-OE1 3.01Å; E103-E123 PolarHBondContact O-N 2.8Å; E123-V125 PolarHBondContact O-N 2.72Å
124G98.2Very high98.5Very high76 Ų7641 Ų4178%0.78422%0.219SC*.THydrogen-bonded Turntrans73.9-4.2-175.600000115.5V122V122-G124 PolarHBondContact O-N 3.28Å; V122-G124 VanDerWaalsContact O-N 3.09Å
125V98.8Very high96.9Very high36 Ų3647.4 Ų47.422%0.21825%0.253CS..EExtended strand (participates in β ladder)trans-80.7139.4172.6-177.90000109.8E19 A23 R121 V122 E123E19-V125 HydrophobicContact CB-CG1 4Å; A23-V125 HydrophobicContact CB-CB 4.27Å; A23-V125 HydrophobicContact CB-CG2 3.97Å; R121-V125 VanDerWaalsContact CA-O 3.31Å; R121-V125 WeakPolarHBondContact CA-O 3.45Å; V122-V125 PolarHBondContact N-O 3.32Å; V122-V125 WeakPolarHBondContact O-CA 3.07Å; V122-V125 VanDerWaalsContact O-CB 3.32Å; V122-V125 WeakPolarHBondContact O-CB 3.33Å; V122-V125 PolarHBondContact O-N 2.91Å; E123-V125 PolarHBondContact O-N 2.72Å
126V98.8Very high96.8Very high50 Ų5046.8 Ų46.830%0.30325%0.252SS..EExtended strand (participates in β ladder)trans-123.4131.8-179-1760000110.2N16 E119 M120 R121 K128N16-V126 WeakPolarHBondContact CB-O 3.45Å; N16-V126 PolarHBondContact ND2-O 3.01Å; E119-V126 HydrophobicContact CG-CG1 3.4Å; E119-V126 VanDerWaalsContact CG-CG1 3.4Å; M120-V126 CarbonylContact O-C 3.5Å; M120-V126 WeakPolarHBondContact O-CA 3.32Å; R121-V126 HydrophobicContact CG-CG2 4.31Å; V126-K128 HydrophobicContact CG1-CG 4.21Å
127C98.8Very high96.7Very high0 Ų049.2 Ų49.20%027%0.265CS..EExtended strand (participates in β ladder)trans-115.9138.8167.6168.50000109.2E15 Y20 E119 M120E15-C127 VanDerWaalsContact O-CA 3.31Å; E15-C127 WeakPolarHBondContact O-CA 3.44Å; E15-C127 PolarHBondContact O-SG 3Å; Y20-C127 HydrophobicContact CD2-CB 4.27Å; Y20-C127 HydrophobicContact CG-CB 3.93Å; E119-C127 CarbonylContact C-O 3.42Å; E119-C127 WeakPolarHBondContact CA-O 3.46Å; M120-C127 HydrophobicContact CB-CB 4.44Å; M120-C127 HydrophobicContact CE-CB 4Å; M120-C127 WeakPolarHBondContact CE-SG 3.49Å; M120-C127 PolarHBondContact N-O 3Å; M120-C127 PolarHBondContact O-N 2.77Å
128K98.8Very high96.6Very high98 Ų9850.5 Ų50.543%0.42627%0.273SS..EExtended strand (participates in β ladder)trans-120.7126-180-66.4-172.1178.2-161.70110.9E15 E119 V126E15-K128 HydrophobicContact CB-CB 4.39Å; E15-K128 PolarHBondContact N-O 3.3Å; E15-K128 PolarHBondContact O-N 3Å; E15-K128 VanDerWaalsContact O-N 3.07Å; E119-K128 HydrophobicContact CG-CG 4.28Å; E119-K128 WeakPolarHBondContact OE2-CE 3.12Å; E119-K128 IonicContact OE2-NZ 2.84Å; E119-K128 PolarHBondContact OE2-NZ 3.18Å; V126-K128 HydrophobicContact CG1-CG 4.21Å
129Q98.8Very high96.4Very high8 Ų853 Ų534%0.03729%0.287CS..EExtended strand (participates in β ladder)trans-119.7141.2176.7-67.1179.9-13.600110.1M11 A13 N14 L118 M120 F131M11-Q129 HydrophobicContact CE-CG 4.15Å; A13-Q129 WeakPolarHBondContact O-CA 3.47Å; N14-Q129 HydrophobicContact CB-CG 4.33Å; N14-Q129 WeakPolarHBondContact OD1-CG 3.18Å; N14-Q129 PolarHBondContact OD1-NE2 2.77Å; L118-Q129 HydrophobicContact CB-CB 4.29Å; L118-Q129 PolarHBondContact N-O 3.36Å; L118-Q129 PolarHBondContact O-N 2.87Å; M120-Q129 HydrophobicContact CE-CG 4.25Å; Q129-F131 HydrophobicContact CB-CD2 4.42Å; Q129-F131 HydrophobicContact CB-CE2 3.49Å; Q129-F131 VanDerWaalsContact CB-CE2 3.49Å; Q129-F131 HydrophobicContact CB-CZ 3.82Å; Q129-F131 HydrophobicContact CG-CZ 4.49Å
130V98.8Very high96.3Very high30 Ų3053.8 Ų53.818%0.18229%0.293CS..EExtended strand (participates in β ladder)trans-127.7134.7174.2-174.70000108.1L12 A13 E115 L116L12-V130 WeakPolarHBondContact CB-O 3.33Å; L12-V130 HydrophobicContact CD1-CG1 4.43Å; L12-V130 PolarHBondContact N-O 3.47Å; A13-V130 HydrophobicContact CB-CB 4.28Å; A13-V130 PolarHBondContact N-O 3.3Å; A13-V130 VanDerWaalsContact N-O 3.15Å; A13-V130 PolarHBondContact O-N 3.26Å; E115-V130 HydrophobicContact CB-CG1 4.11Å; E115-V130 HydrophobicContact CG-CG1 4.41Å; L116-V130 CarbonylContact O-C 3.57Å; L116-V130 WeakPolarHBondContact O-CA 3.39Å
131F98.8Very high96.1Very high0 Ų055.9 Ų55.90%031%0.305CS..EExtended strand (participates in β ladder)trans-127.5142.4179.7-49.8-106.8000110.1W9 K10 M11 P39 K41 E115 L116 L118 Q129W9-F131 HydrophobicContact CB-CB 3.7Å; W9-F131 HydrophobicContact CB-CG 4.38Å; K10-F131 CarbonylContact O-C 3.57Å; K10-F131 WeakPolarHBondContact O-CA 3.39Å; K10-F131 WeakPolarHBondContact O-CB 3.41Å; M11-F131 HydrophobicContact CB-CD1 3.82Å; M11-F131 HydrophobicContact CB-CE1 3.89Å; M11-F131 HydrophobicContact CE-CE1 3.67Å; M11-F131 HydrophobicContact CE-CZ 3.76Å; M11-F131 HydrophobicContact CG-CE1 4.41Å; P39-F131 WeakPolarHBondContact O-CE1 3.34Å; K41-F131 HydrophobicContact CD-CD2 4.42Å; K41-F131 HydrophobicContact CD-CE1 4.16Å; K41-F131 HydrophobicContact CD-CE2 4.04Å; K41-F131 HydrophobicContact CD-CZ 3.92Å; K41-F131 HydrophobicContact CG-CD1 4.37Å; K41-F131 HydrophobicContact CG-CE1 3.98Å; K41-F131 HydrophobicContact CG-CZ 4.2Å; E115-F131 CarbonylContact C-O 3.58Å; E115-F131 VanDerWaalsContact CA-O 3.29Å; E115-F131 WeakPolarHBondContact CA-O 3.5Å; L116-F131 HydrophobicContact CB-CB 4.21Å; L116-F131 HydrophobicContact CD2-CD2 4.21Å; L116-F131 HydrophobicContact CG-CD2 4.36Å; L116-F131 PolarHBondContact N-O 3.1Å; L116-F131 PolarHBondContact O-N 3.23Å; L118-F131 HydrophobicContact CB-CE2 4.24Å; Q129-F131 HydrophobicContact CB-CD2 4.42Å; Q129-F131 HydrophobicContact CB-CE2 3.49Å; Q129-F131 VanDerWaalsContact CB-CE2 3.49Å; Q129-F131 HydrophobicContact CB-CZ 3.82Å; Q129-F131 HydrophobicContact CG-CZ 4.49Å
132K98.6Very high95.9Very high58 Ų5855.9 Ų55.925%0.25231%0.312SS..EExtended strand (participates in β ladder)trans-93.1133.4173.4-159.556.2152.2-172.70110.1W9 K10 L12 D114 E115 V134W9-K132 CarbonylContact C-O 3.56Å; W9-K132 WeakPolarHBondContact CA-O 3.45Å; K10-K132 PolarHBondContact N-O 3.16Å; K10-K132 PolarHBondContact O-N 2.95Å; L12-K132 HydrophobicContact CD1-CB 3.75Å; L12-K132 HydrophobicContact CD1-CD 4.1Å; L12-K132 HydrophobicContact CD1-CG 4.35Å; L12-K132 HydrophobicContact CD2-CB 3.97Å; L12-K132 HydrophobicContact CG-CB 3.8Å; D114-K132 VanDerWaalsContact CG-CE 3.42Å; D114-K132 IonicContact OD1-NZ 2.76Å; D114-K132 PolarHBondContact OD1-NZ 3.16Å; D114-K132 WeakPolarHBondContact OD2-CE 3.47Å; D114-K132 IonicContact OD2-NZ 3.37Å; D114-K132 PolarHBondContact OD2-NZ 3.18Å; E115-K132 HydrophobicContact CG-CD 4.09Å; E115-K132 IonicContact OE1-NZ 2.66Å; E115-K132 PolarHBondContact OE1-NZ 2.7Å; K132-V134 PolarHBondContact O-N 3.23Å
133K98.3Very high95.7Very high82 Ų8260.2 Ų60.236%0.35734%0.336SS..EExtended strand (participates in β ladder)trans-60.5130.6168.4-154.2169.8-170167.80109.4T6 W9 D114T6-K133 WeakPolarHBondContact O-CE 3.42Å; T6-K133 PolarHBondContact O-NZ 3.24Å; W9-K133 HydrophobicContact CD2-CB 4.39Å; W9-K133 HydrophobicContact CD2-CG 4.27Å; W9-K133 HydrophobicContact CE3-CB 3.66Å; W9-K133 HydrophobicContact CE3-CG 4Å; W9-K133 HydrophobicContact CH2-CB 4.11Å; W9-K133 HydrophobicContact CH2-CD 3.77Å; W9-K133 HydrophobicContact CH2-CG 4.03Å; W9-K133 HydrophobicContact CZ2-CD 4.06Å; W9-K133 HydrophobicContact CZ2-CG 4.27Å; W9-K133 HydrophobicContact CZ3-CB 3.51Å; W9-K133 HydrophobicContact CZ3-CD 4.09Å; W9-K133 HydrophobicContact CZ3-CG 3.89Å; D114-K133 PolarHBondContact O-N 3.09Å
134V94.8Very high95.4Very high40 Ų4057.6 Ų57.624%0.24233%0.328CS..EExtended strand (participates in β ladder)trans-124.5128.4170.3-63.20000108.4Y8 K10 K132Y8-V134 HydrophobicContact CD1-CG2 3.53Å; Y8-V134 HydrophobicContact CE1-CG2 4.35Å; Y8-V134 HydrophobicContact CG-CG2 4.36Å; Y8-V134 PolarHBondContact O-N 3.4Å; K10-V134 HydrophobicContact CB-CG1 4.15Å; K10-V134 HydrophobicContact CB-CG2 4.39Å; K10-V134 HydrophobicContact CD-CG1 3.95Å; K10-V134 HydrophobicContact CD-CG2 3.91Å; K10-V134 HydrophobicContact CG-CG1 4.07Å; K10-V134 HydrophobicContact CG-CG2 3.65Å; K132-V134 PolarHBondContact O-N 3.23Å
135N63.8Low95.2Very high213 Ų21355.9 Ų55.9100%1.13929%0.287SS*.  trans86.80-160.1-48.2-31.2000113

Retrieved 135 of 135 residues in 98.6 ms (Link to these results)

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